A0A087XR79_POEFO Loading...

Actin-related protein 5

AlphaFold DB , UniProt , Accession A0A087XR79, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 620 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
1M34.6Very low52Low251 Ų251133 Ų133100%1.23673%0.73SS**  086.90-74.4176.217500107.3
2A32.5Very low55.4Low98 Ų98126.3 Ų126.381%0.8169%0.688SS**  trans-91.1124.4171.100000106.8K4A2-K4 PolarHBondContact O-N 3.06Å; A2-K4 VanDerWaalsContact O-N 3.16Å
3S37.3Very low57.9Low101 Ų101123.1 Ų123.171%0.70668%0.681SS**  trans-60.7114.617248.20000108.2D5S3-D5 VanDerWaalsContact C-N 3.25Å; S3-D5 PolarHBondContact O-N 3.33Å
4K44Very low59.8Low201 Ų201115.7 Ų115.787%0.87464%0.638SS**  trans-67.693.4161.1-77.6-177.7173.4-175.20106.1A2 Q6A2-K4 PolarHBondContact O-N 3.06Å; A2-K4 VanDerWaalsContact O-N 3.16Å; K4-Q6 VanDerWaalsContact C-N 3.3Å; K4-Q6 PolarHBondContact O-N 3.41Å
5D45Very low60.8Low145 Ų145115.8 Ų115.878%0.77563%0.632SS**  trans-60.5102.9159.5-77.5-23.8000105.8S3S3-D5 VanDerWaalsContact C-N 3.25Å; S3-D5 PolarHBondContact O-N 3.33Å
6Q45.5Very low61.3Low167 Ų167111.3 Ų111.378%0.7861%0.607SS**  trans-57.7131.8170.7-77.2-179.3-21.500107.1K4 V8K4-Q6 VanDerWaalsContact C-N 3.3Å; K4-Q6 PolarHBondContact O-N 3.41Å; Q6-V8 PolarHBondContact O-N 3.12Å
7P51.6Low61.1Low95 Ų95109.4 Ų109.462%0.61760%0.603SS**  trans-56.4119.6175.622.8-30.8000107.7C9P7-C9 PolarHBondContact O-N 3.08Å
8V53.3Low61.4Low129 Ų129113.6 Ų113.678%0.78261%0.614SS**  trans-60.4105.2178.8177.50000106.8Q6 Q10Q6-V8 PolarHBondContact O-N 3.12Å; V8-Q10 PolarHBondContact O-N 2.9Å; V8-Q10 VanDerWaalsContact O-N 3.08Å
9C63.1Low62.4Low56 Ų56109.8 Ų109.838%0.37860%0.596SS.*  trans-64.8111.4178.3176.70000109P7 I11 R280P7-C9 PolarHBondContact O-N 3.08Å; C9-I11 PolarHBondContact O-N 2.68Å; C9-R280 WeakPolarHBondContact SG-CD 3.21Å; C9-R280 PolarHBondContact SG-NE 2.97Å; C9-R280 PolarHBondContact SG-NH1 3.14Å
10Q76.4Confident63.5Low129 Ų129108.8 Ų108.860%0.60360%0.597SS**  trans-81.6109.4177.3-67.2-174.24.500109.4V8 F12V8-Q10 PolarHBondContact O-N 2.9Å; V8-Q10 VanDerWaalsContact O-N 3.08Å; Q10-F12 HydrophobicContact CB-CE2 3.93Å; Q10-F12 HydrophobicContact CB-CZ 3.82Å
11I89.3Confident64.7Low91 Ų91107.6 Ų107.647%0.46759%0.594SS.*EExtended strand (participates in β ladder)trans-93.2123.4170.4-59.6167.2000107.4C9 R280 Q282C9-I11 PolarHBondContact O-N 2.68Å; I11-R280 CarbonylContact C-O 3.54Å; I11-R280 WeakPolarHBondContact CA-O 3.48Å; I11-R280 HydrophobicContact CG1-CB 4.37Å; I11-Q282 HydrophobicContact CG2-CB 3.92Å
12F91.9Very high67.4Low53 Ų5396.8 Ų96.823%0.23254%0.541CS..EExtended strand (participates in β ladder)trans-101.5144.2177-56.2-85.1000109.8Q10 H254 H279 R280 I281 Q282Q10-F12 HydrophobicContact CB-CE2 3.93Å; Q10-F12 HydrophobicContact CB-CZ 3.82Å; F12-H254 AromaticContact CD1-CE1 3.67Å; F12-H254 AromaticContact CG-CE1 3.71Å; F12-H279 HydrophobicContact CD2-CB 4.17Å; F12-H279 HydrophobicContact CE2-CB 4.15Å; F12-H279 AromaticContact CE2-CD2 3.97Å; F12-H279 AromaticContact CE2-CG 3.79Å; F12-H279 AromaticContact CE2-ND1 3.95Å; F12-R280 PolarHBondContact N-O 3.11Å; F12-I281 HydrophobicContact CB-CD1 3.74Å; F12-I281 HydrophobicContact CD2-CD1 4.05Å; F12-I281 HydrophobicContact CG-CD1 4.23Å; F12-I281 CarbonylContact O-C 3.55Å; F12-I281 WeakPolarHBondContact O-CA 3.4Å; F12-Q282 PolarHBondContact O-N 2.75Å
13S87.8Confident70.3Confident84 Ų8495.6 Ų95.659%0.58753%0.525SS*.EExtended strand (participates in β ladder)trans-107.3146172.756.70000110.4Q15S13-Q15 PolarHBondContact O-N 2.94Å
14F85.6Confident72.9Confident20 Ų2096.3 Ų96.39%0.08852%0.52CS..  trans-58.9138.8163.1-70.2-71.3000109.8D16 R246 M247 L250 I281 L283F14-D16 VanDerWaalsContact C-N 3.25Å; F14-R246 HydrophobicContact CD1-CB 3.9Å; F14-R246 HydrophobicContact CD1-CG 3.92Å; F14-R246 HydrophobicContact CD2-CG 4.48Å; F14-R246 HydrophobicContact CE1-CB 3.61Å; F14-R246 HydrophobicContact CE1-CG 4.12Å; F14-R246 WeakPolarHBondContact CE1-O 3.33Å; F14-R246 HydrophobicContact CG-CB 4.5Å; F14-R246 HydrophobicContact CG-CG 4.11Å; F14-R246 HydrophobicContact CZ-CB 3.96Å; F14-R246 HydrophobicContact CZ-CG 4.47Å; F14-M247 HydrophobicContact CE1-CE 4.31Å; F14-M247 HydrophobicContact CZ-CE 3.86Å; F14-L250 HydrophobicContact CE1-CB 4.38Å; F14-L250 HydrophobicContact CE1-CD1 4.43Å; F14-L250 HydrophobicContact CZ-CD1 4.26Å; F14-I281 HydrophobicContact CD1-CG2 4.5Å; F14-I281 HydrophobicContact CD2-CG2 3.91Å; F14-I281 HydrophobicContact CE1-CG2 4.04Å; F14-I281 HydrophobicContact CE2-CG2 3.39Å; F14-I281 HydrophobicContact CG-CG2 4.44Å; F14-I281 HydrophobicContact CZ-CG2 3.48Å; F14-I281 VanDerWaalsContact CZ-CG2 3.48Å; F14-L283 HydrophobicContact CD2-CD2 4.21Å; F14-L283 HydrophobicContact CE2-CD2 3.56Å; F14-L283 HydrophobicContact CE2-CG 4.39Å; F14-L283 HydrophobicContact CZ-CD2 4.48Å
15Q74.6Confident75.2Confident117 Ų11789.8 Ų89.855%0.54749%0.492SS..  trans-77.5-19.1172.1-64.1-160.9-17.700111.8S13 C17 E249 R253S13-Q15 PolarHBondContact O-N 2.94Å; Q15-C17 VanDerWaalsContact C-N 3.34Å; Q15-C17 PolarHBondContact O-N 3.26Å; Q15-E249 WeakPolarHBondContact CB-OE1 3.47Å; Q15-E249 WeakPolarHBondContact CG-OE1 3.43Å; Q15-E249 PolarHBondContact N-OE1 3.24Å; Q15-E249 PolarHBondContact N-OE2 3.47Å; Q15-R253 VanDerWaalsContact CD-CZ 3.43Å; Q15-R253 VanDerWaalsContact CD-NH2 3.34Å; Q15-R253 VanDerWaalsContact OE1-NH1 3.09Å
16D67.8Low77.3Confident43 Ų4391.5 Ų91.523%0.2350%0.495CS..  trans42.163.5-178.7-82.5-13.5000109.2F14 K18 R246F14-D16 VanDerWaalsContact C-N 3.25Å; D16-K18 PolarHBondContact O-N 2.93Å; D16-R246 IonicContact OD1-CZ 3.73Å; D16-R246 IonicContact OD1-NE 3.17Å; D16-R246 PolarHBondContact OD1-NE 2.84Å; D16-R246 IonicContact OD1-NH2 2.69Å; D16-R246 PolarHBondContact OD1-NH2 3.36Å; D16-R246 IonicContact OD2-CZ 2.88Å; D16-R246 IonicContact OD2-NE 3.92Å; D16-R246 IonicContact OD2-NH2 2.82Å; D16-R246 PolarHBondContact OD2-NH2 2.88Å
17C58.3Low79.3Confident79 Ų7986.1 Ų86.153%0.53447%0.472SS..  trans-37.197.1-169-630000112.5Q15 T19Q15-C17 VanDerWaalsContact C-N 3.34Å; Q15-C17 PolarHBondContact O-N 3.26Å; C17-T19 PolarHBondContact O-N 3.09Å
18K67.3Low80.9Confident185 Ų18582.5 Ų82.580%0.80445%0.448SS*.  trans-79100.5169.1-67.6-178-176.5175.90106.6D16 P88D16-K18 PolarHBondContact O-N 2.93Å; K18-P88 WeakPolarHBondContact CA-O 3.23Å
19T79.4Confident82.3Confident43 Ų4380 Ų8026%0.26444%0.441SS..PPolyproline II helixtrans-79144.6173.654.50000109.2C17 N85 I87C17-T19 PolarHBondContact O-N 3.09Å; T19-N85 WeakPolarHBondContact CB-O 3.44Å; T19-N85 PolarHBondContact OG1-O 3.2Å; T19-I87 PolarHBondContact OG1-O 3.35Å
20S84.6Confident83.2Confident88 Ų8882.2 Ų82.262%0.61545%0.446SS*.PPolyproline II helixtrans-95.7147.1163.153.50000108.4D22 N85S20-D22 PolarHBondContact O-N 3.25Å; S20-N85 CarbonylContact C-O 3.59Å; S20-N85 WeakPolarHBondContact O-CB 3.27Å
21P89Confident83.6Confident84 Ų8476.1 Ų76.155%0.54542%0.417SS..PPolyproline II helixtrans-46137.3168.5-3037.1000111.3D86P21-D86 VanDerWaalsContact CA-OD1 3.3Å; P21-D86 WeakPolarHBondContact CA-OD1 3.33Å; P21-D86 VanDerWaalsContact CB-OD1 3.28Å; P21-D86 WeakPolarHBondContact CB-OD1 3.43Å
22D92.1Very high83.2Confident24 Ų2475.4 Ų75.413%0.12841%0.413CS..PPolyproline II helixtrans-64.6144176.3-71.3-52.7000109S20 L64 N85 Y118 H122S20-D22 PolarHBondContact O-N 3.25Å; D22-L64 HydrophobicContact CB-CD2 4.01Å; D22-N85 PolarHBondContact OD1-ND2 3.49Å; D22-N85 PolarHBondContact OD2-ND2 3.05Å; D22-Y118 VanDerWaalsContact CB-OH 3.28Å; D22-Y118 WeakPolarHBondContact CB-OH 3.39Å; D22-Y118 VanDerWaalsContact CG-OH 3.24Å; D22-Y118 WeakPolarHBondContact OD2-CE1 3.45Å; D22-Y118 PolarHBondContact OD2-OH 3.25Å; D22-H122 PolarHBondContact O-CE1 3.2Å; D22-H122 PolarHBondContact O-ND1 2.9Å
23P92.3Very high82.3Confident73 Ų7377.4 Ų77.447%0.47443%0.43SS..PPolyproline II helixtrans-66.1150.5175.229.3-35.3000110.6F25 H122P23-F25 HydrophobicContact CG-CE1 3.9Å; P23-F25 HydrophobicContact CG-CE2 3.91Å; P23-F25 HydrophobicContact CG-CZ 3.5Å; P23-F25 VanDerWaalsContact CG-CZ 3.5Å; P23-H122 PolarHBondContact O-ND1 3.41Å
24I92.9Very high81.5Confident117 Ų11779.8 Ų79.860%0.644%0.443SS*.PPolyproline II helixtrans-87116.1165.5-62.9172.8000106.9T121I24-T121 HydrophobicContact CD1-CG2 4.43Å
25F91.1Very high81.4Confident64 Ų6484 Ų8428%0.28147%0.47SS..PPolyproline II helixtrans-83.1151.8-179.9-64.3-75.4000111.3P23 R63 L64 H122 G124P23-F25 HydrophobicContact CG-CE1 3.9Å; P23-F25 HydrophobicContact CG-CE2 3.91Å; P23-F25 HydrophobicContact CG-CZ 3.5Å; P23-F25 VanDerWaalsContact CG-CZ 3.5Å; F25-R63 HydrophobicContact CD2-CB 4.4Å; F25-R63 HydrophobicContact CE2-CB 4Å; F25-R63 HydrophobicContact CZ-CB 4.49Å; F25-L64 HydrophobicContact CD2-CD2 4.45Å; F25-L64 HydrophobicContact CE2-CD2 3.92Å; F25-H122 WeakPolarHBondContact CD2-O 3.46Å; F25-H122 PolarHBondContact N-O 3.44Å; F25-G124 WeakPolarHBondContact O-CA 3.46Å; F25-G124 PolarHBondContact O-N 3.3Å
26E89.8Confident82Confident180 Ų18079.9 Ų79.984%0.84146%0.457SS*.PPolyproline II helixtrans-76.9142.2164.4-66.4-177.8175.400110P28E26-P28 WeakPolarHBondContact O-CD 3.16Å
27L86.8Confident83.3Confident55 Ų5578.3 Ų78.329%0.28845%0.449SS..  trans-67.7115.2177.7-175.161000110.2M32 W52 L125L27-M32 HydrophobicContact CD2-CE 3.7Å; L27-M32 HydrophobicContact CD2-CG 4.16Å; L27-M32 HydrophobicContact CD2-SD 3.59Å; L27-M32 VanDerWaalsContact CD2-SD 3.59Å; L27-M32 HydrophobicContact CG-CG 4.33Å; L27-M32 HydrophobicContact CG-SD 4.37Å; L27-W52 HydrophobicContact CD1-CH2 3.54Å; L27-W52 HydrophobicContact CD1-CZ2 3.36Å; L27-L125 HydrophobicContact CD1-CD2 4.13Å; L27-L125 HydrophobicContact CD2-CD2 4.31Å
28P84.9Confident85.1Confident18 Ų1875.2 Ų75.212%0.11743%0.428CS..  trans-71.4136.7-176-19.434.4000111.6E26 Q30 C31 F59E26-P28 WeakPolarHBondContact O-CD 3.16Å; P28-Q30 PolarHBondContact O-N 3.11Å; P28-Q30 VanDerWaalsContact O-N 3.11Å; P28-C31 WeakPolarHBondContact O-CB 3.25Å; P28-C31 PolarHBondContact O-N 2.84Å; P28-F59 HydrophobicContact CB-CE1 4.46Å; P28-F59 HydrophobicContact CB-CZ 3.8Å; P28-F59 HydrophobicContact CG-CE1 3.89Å; P28-F59 HydrophobicContact CG-CZ 3.73Å
29A83.9Confident86.5Confident76 Ų7666.4 Ų66.463%0.62839%0.39SS*.G310 helixtrans-58.3-28.8178.300000113.6C31 M32 T33A29-C31 PolarHBondContact O-N 3.27Å; A29-M32 PolarHBondContact O-N 3.39Å; A29-M32 VanDerWaalsContact O-N 3.11Å; A29-T33 PolarHBondContact O-N 3.18Å; A29-T33 PolarHBondContact O-OG1 3.04Å; A29-T33 VanDerWaalsContact O-OG1 3.06Å
30Q81.4Confident87.4Confident104 Ų10464.3 Ų64.349%0.48638%0.377SS..G310 helixtrans-67.9-23.1176.1-60.3170.344.600112.8P28 M32 E58P28-Q30 PolarHBondContact O-N 3.11Å; P28-Q30 VanDerWaalsContact O-N 3.11Å; Q30-M32 VanDerWaalsContact C-N 3.27Å; Q30-E58 VanDerWaalsContact CD-OE1 3.32Å; Q30-E58 PolarHBondContact NE2-OE1 3.09Å; Q30-E58 PolarHBondContact OE1-OE1 2.9Å
31C83.9Confident88.1Confident0 Ų060.2 Ų60.20%035%0.348CS..G310 helixtrans-80-11.2174.2-61.60000112.2P28 A29 A36 A37 W52 F59 H133P28-C31 WeakPolarHBondContact O-CB 3.25Å; P28-C31 PolarHBondContact O-N 2.84Å; A29-C31 PolarHBondContact O-N 3.27Å; C31-A36 CarbonylContact O-C 3.48Å; C31-A36 WeakPolarHBondContact O-CA 3.49Å; C31-A37 HydrophobicContact CB-CB 4.07Å; C31-A37 PolarHBondContact O-N 3.11Å; C31-W52 HydrophobicContact CB-CD2 4.24Å; C31-W52 HydrophobicContact CB-CE3 4.08Å; C31-W52 HydrophobicContact CB-CH2 4.48Å; C31-W52 HydrophobicContact CB-CZ3 4.21Å; C31-F59 WeakPolarHBondContact SG-CZ 3.35Å; C31-H133 PolarHBondContact O-CE1 2.84Å; C31-H133 VanDerWaalsContact O-CE1 3.27Å
32M82.1Confident88.5Confident76 Ų7656.5 Ų56.537%0.37432%0.324SS..THydrogen-bonded Turntrans-105.5-22.7-176.9-59.1-116.491.500113.3L27 A29 Q30 H133L27-M32 HydrophobicContact CD2-CE 3.7Å; L27-M32 HydrophobicContact CD2-CG 4.16Å; L27-M32 HydrophobicContact CD2-SD 3.59Å; L27-M32 VanDerWaalsContact CD2-SD 3.59Å; L27-M32 HydrophobicContact CG-CG 4.33Å; L27-M32 HydrophobicContact CG-SD 4.37Å; A29-M32 PolarHBondContact O-N 3.39Å; A29-M32 VanDerWaalsContact O-N 3.11Å; Q30-M32 VanDerWaalsContact C-N 3.27Å; M32-H133 VanDerWaalsContact CE-NE2 3.27Å; M32-H133 WeakPolarHBondContact CE-NE2 3.46Å
33T73.3Confident88.8Confident96 Ų9656 Ų5659%0.58932%0.321SS*.SBendtrans-130.7138.3-171.456.40000111.5A29A29-T33 PolarHBondContact O-N 3.18Å; A29-T33 PolarHBondContact O-OG1 3.04Å; A29-T33 VanDerWaalsContact O-OG1 3.06Å
34P71.1Confident89Confident134 Ų13453.2 Ų53.287%0.8731%0.306SS*.SBendcis-79.2-15.6-1.532.7-35.4000114.4
35T82.8Confident89.1Confident107 Ų10748.5 Ų48.566%0.65628%0.283SS*.SBendtrans-135.7150.5175.851.10000108.9A37T35-A37 PolarHBondContact O-N 2.65Å
36A88.4Confident89.4Confident32 Ų3247.3 Ų47.326%0.26428%0.278SS..PPolyproline II helixtrans-56.9120.4177.200000111.2C31 E132C31-A36 CarbonylContact O-C 3.48Å; C31-A36 WeakPolarHBondContact O-CA 3.49Å; A36-E132 VanDerWaalsContact CB-O 3.23Å; A36-E132 WeakPolarHBondContact CB-O 3.19Å
37A93.3Very high89.6Confident9 Ų942.2 Ų42.27%0.07425%0.253CS..PPolyproline II helixtrans-67.7139.9179.300000110.3C31 T35 W52 A54 H133C31-A37 HydrophobicContact CB-CB 4.07Å; C31-A37 PolarHBondContact O-N 3.11Å; T35-A37 PolarHBondContact O-N 2.65Å; A37-W52 HydrophobicContact CB-CE3 4.27Å; A37-A54 HydrophobicContact CB-CB 4.43Å; A37-H133 PolarHBondContact O-ND1 3.42Å
38P95.9Very high90.2Very high14 Ų1439.6 Ų39.69%0.09124%0.24CC..PPolyproline II helixtrans-64.7144.8175.7-21.432.7000112.8A53 P134 A532 W544P38-A53 HydrophobicContact CB-CB 4.18Å; P38-A53 HydrophobicContact CG-CB 4.46Å; P38-A53 PolarHBondContact O-N 3.49Å; P38-P134 CarbonylContact C-O 3.6Å; P38-P134 VanDerWaalsContact CA-O 3.27Å; P38-P134 WeakPolarHBondContact CA-O 3.39Å; P38-P134 HydrophobicContact CB-CB 4.07Å; P38-P134 HydrophobicContact CG-CB 4.22Å; P38-P134 HydrophobicContact CG-CG 4.37Å; P38-A532 HydrophobicContact CB-CB 4.26Å; P38-A532 HydrophobicContact CG-CB 4.32Å; P38-W544 HydrophobicContact CB-CH2 4.09Å; P38-W544 HydrophobicContact CG-CH2 4.36Å; P38-W544 HydrophobicContact CG-CZ2 4.41Å
39I97.6Very high90.8Very high0 Ų040.3 Ų40.30%024%0.24CC..EExtended strand (participates in β ladder)trans-94.6125.6168.4-59168.8000107.8I41 W52 F120 L123 L125 V131 H133 P134 I135 L136I39-I41 HydrophobicContact CG2-CD1 4.29Å; I39-I41 HydrophobicContact CG2-CG1 3.9Å; I39-W52 HydrophobicContact CD1-CH2 3.9Å; I39-W52 HydrophobicContact CD1-CZ3 3.88Å; I39-W52 HydrophobicContact CG1-CE3 3.73Å; I39-W52 HydrophobicContact CG1-CH2 3.81Å; I39-W52 HydrophobicContact CG1-CZ3 3.31Å; I39-F120 HydrophobicContact CD1-CD1 4.35Å; I39-F120 HydrophobicContact CD1-CE1 4.36Å; I39-L123 HydrophobicContact CG2-CD1 3.69Å; I39-L125 HydrophobicContact CD1-CD1 3.71Å; I39-V131 HydrophobicContact CD1-CG1 4.04Å; I39-H133 HydrophobicContact CD1-CB 3.79Å; I39-H133 HydrophobicContact CG1-CB 3.97Å; I39-P134 PolarHBondContact N-O 3.28Å; I39-I135 WeakPolarHBondContact O-CA 3.38Å; I39-L136 PolarHBondContact O-N 2.89Å
40V98.5Very high91.5Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-102.2118.6177.8-178.90000108.6A50 G51 A53 L136 W525 A528 R529V40-A50 VanDerWaalsContact O-CA 3.3Å; V40-A50 WeakPolarHBondContact O-CA 3.47Å; V40-G51 PolarHBondContact N-O 3.05Å; V40-G51 PolarHBondContact O-N 2.92Å; V40-G51 VanDerWaalsContact O-N 3.09Å; V40-A53 HydrophobicContact CG2-CB 3.79Å; V40-L136 WeakPolarHBondContact CA-O 3.36Å; V40-W525 HydrophobicContact CG1-CG 4.25Å; V40-W525 PolarHBondContact O-NE1 3.48Å; V40-W525 VanDerWaalsContact O-NE1 3.09Å; V40-A528 HydrophobicContact CG1-CB 3.55Å; V40-R529 HydrophobicContact CG2-CB 4.2Å
41I98.6Very high92.2Very high1 Ų131.7 Ų31.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-117.2102.5178.4-52.9179.2000108.5I39 N43 T48 A50 L116 V119 F120 I135 L136 M137 T138I39-I41 HydrophobicContact CG2-CD1 4.29Å; I39-I41 HydrophobicContact CG2-CG1 3.9Å; I41-N43 HydrophobicContact CG2-CB 4.45Å; I41-N43 PolarHBondContact O-N 2.99Å; I41-T48 HydrophobicContact CG2-CG2 4.17Å; I41-A50 HydrophobicContact CG1-CB 4.38Å; I41-L116 HydrophobicContact CD1-CD2 3.84Å; I41-V119 HydrophobicContact CD1-CG1 4.1Å; I41-V119 HydrophobicContact CG1-CG1 4.39Å; I41-F120 HydrophobicContact CD1-CE1 4.14Å; I41-F120 HydrophobicContact CD1-CZ 4.48Å; I41-I135 HydrophobicContact CD1-CG2 4.18Å; I41-L136 PolarHBondContact N-O 2.84Å; I41-M137 HydrophobicContact CB-CE 4.25Å; I41-M137 HydrophobicContact CB-CG 4.43Å; I41-M137 HydrophobicContact CD1-CE 3.95Å; I41-M137 HydrophobicContact CG2-CE 4.2Å; I41-M137 VanDerWaalsContact O-CA 3.32Å; I41-M137 WeakPolarHBondContact O-CA 3.29Å; I41-T138 PolarHBondContact O-N 2.84Å
42D98.5Very high92.8Very high7 Ų731.8 Ų31.84%0.03719%0.187CC..EExtended strand (participates in β ladder)trans-78.397.7164.2175.134.4000108.8G44 T48 R49 T138 W525D42-G44 VanDerWaalsContact C-N 3.27Å; D42-G44 PolarHBondContact O-N 3.08Å; D42-T48 WeakPolarHBondContact O-CA 3Å; D42-R49 HydrophobicContact CB-CB 4.15Å; D42-R49 PolarHBondContact N-O 3.31Å; D42-R49 PolarHBondContact O-N 3.49Å; D42-R49 WeakPolarHBondContact OD2-CD 3.46Å; D42-R49 IonicContact OD2-CZ 2.75Å; D42-R49 IonicContact OD2-NE 3.46Å; D42-R49 IonicContact OD2-NH1 3.5Å; D42-R49 PolarHBondContact OD2-NH1 3.39Å; D42-T138 VanDerWaalsContact CA-OG1 3.27Å; D42-T138 WeakPolarHBondContact CA-OG1 3.34Å; D42-T138 HydrophobicContact CB-CG2 4.23Å; D42-T138 PolarHBondContact OD1-OG1 3.5Å; D42-W525 HydrophobicContact CB-CB 4.11Å
43N97.8Very high93.3Very high12 Ų1228.3 Ų28.36%0.06417%0.17CC..EExtended strand (participates in β ladder)trans-83.767.2-175.2-164.214.4000110.7I41 F101 Q112 M137 T138I41-N43 HydrophobicContact CG2-CB 4.45Å; I41-N43 PolarHBondContact O-N 2.99Å; N43-F101 WeakPolarHBondContact O-CZ 3.35Å; N43-F101 WeakPolarHBondContact OD1-CZ 3.13Å; N43-Q112 PolarHBondContact ND2-NE2 2.79Å; N43-Q112 PolarHBondContact ND2-OE1 3.43Å; N43-M137 HydrophobicContact CB-CG 4.04Å; N43-M137 HydrophobicContact CB-SD 4.33Å; N43-T138 PolarHBondContact N-OG1 2.83Å
44G96.4Very high94.1Very high15 Ų1524 Ų2416%0.15515%0.145CC..  trans-80.5145.4-179.800000113.1D42 F46 K47 S68D42-G44 VanDerWaalsContact C-N 3.27Å; D42-G44 PolarHBondContact O-N 3.08Å; G44-F46 VanDerWaalsContact C-N 3.34Å; G44-F46 PolarHBondContact O-N 2.8Å; G44-K47 WeakPolarHBondContact CA-O 3.44Å; G44-K47 CarbonylContact O-C 3.52Å; G44-S68 WeakPolarHBondContact O-CB 3.49Å; G44-S68 PolarHBondContact O-OG 3.35Å
45S95.7Very high94.5Very high18 Ų1823.8 Ų23.813%0.12614%0.143CC..SBendtrans-72.6-20.6-178.953.50000115.8F101 R103S45-F101 VanDerWaalsContact CA-CD2 3.45Å; S45-F101 VanDerWaalsContact CA-CE2 3.45Å; S45-R103 WeakPolarHBondContact CB-O 3.4Å
46F95.9Very high94.4Very high39 Ų3920 Ų2017%0.17112%0.122CC..SBendtrans-94.5-45.9171.9-176.7-118.4000112.4G44 R67 S68 Y195 H252G44-F46 VanDerWaalsContact C-N 3.34Å; G44-F46 PolarHBondContact O-N 2.8Å; F46-R67 WeakPolarHBondContact O-CA 3.4Å; F46-R67 WeakPolarHBondContact O-CG 3.43Å; F46-S68 PolarHBondContact O-N 3.05Å; F46-S68 VanDerWaalsContact O-N 3.08Å; F46-Y195 HydrophobicContact CB-CD1 3.93Å; F46-Y195 HydrophobicContact CB-CD2 4Å; F46-Y195 HydrophobicContact CB-CG 3.6Å; F46-Y195 HydrophobicContact CD2-CD1 4.26Å; F46-Y195 AromaticContact CD2-CD2 3.76Å; F46-Y195 HydrophobicContact CD2-CD2 3.76Å; F46-Y195 HydrophobicContact CD2-CE1 4.22Å; F46-Y195 AromaticContact CD2-CE2 3.71Å; F46-Y195 HydrophobicContact CD2-CE2 3.71Å; F46-Y195 HydrophobicContact CD2-CG 4.08Å; F46-Y195 AromaticContact CD2-CZ 3.98Å; F46-Y195 HydrophobicContact CE2-CE2 4.17Å; F46-Y195 HydrophobicContact CG-CD2 4.05Å; F46-Y195 HydrophobicContact CG-CE2 4.46Å; F46-Y195 HydrophobicContact CG-CG 4.16Å; F46-H252 AromaticContact CE1-CE1 3.89Å; F46-H252 AromaticContact CZ-CE1 3.8Å
47K95.9Very high93.8Very high74 Ų7422.9 Ų22.932%0.32215%0.146SC..EExtended strand (participates in β ladder)trans-139.9134.7179.6-70.2-177.2178.1-172.80110.1G44 R49 L65 F66 S68G44-K47 WeakPolarHBondContact CA-O 3.44Å; G44-K47 CarbonylContact O-C 3.52Å; K47-R49 PolarHBondContact O-NH1 2.9Å; K47-L65 HydrophobicContact CD-CD2 4.08Å; K47-F66 CarbonylContact C-O 3.57Å; K47-F66 WeakPolarHBondContact CA-O 3.26Å; K47-F66 WeakPolarHBondContact CB-O 3.03Å; K47-S68 WeakPolarHBondContact CA-OG 3.42Å; K47-S68 PolarHBondContact N-OG 2.84Å
48T97.8Very high93.2Very high0 Ų027 Ų270%016%0.164CC..EExtended strand (participates in β ladder)trans-89.5139.2168.3-62.60000108.4I41 D42 F66 S68 I115 V119I41-T48 HydrophobicContact CG2-CG2 4.17Å; D42-T48 WeakPolarHBondContact O-CA 3Å; T48-F66 HydrophobicContact CG2-CE1 4.17Å; T48-F66 HydrophobicContact CG2-CE2 4.44Å; T48-F66 HydrophobicContact CG2-CZ 3.81Å; T48-F66 PolarHBondContact N-O 2.76Å; T48-F66 PolarHBondContact O-N 3.25Å; T48-S68 PolarHBondContact N-OG 2.8Å; T48-S68 PolarHBondContact OG1-OG 3.37Å; T48-I115 HydrophobicContact CG2-CG2 4.49Å; T48-V119 HydrophobicContact CG2-CG2 4.36Å
49R98Very high92.6Very high32 Ų3226.4 Ų26.412%0.12116%0.16CC..EExtended strand (participates in β ladder)trans-126.8126.7174.6-48.8161-17463.511.7108.3D42 K47 P62 L64 L65 G521 W525D42-R49 HydrophobicContact CB-CB 4.15Å; D42-R49 PolarHBondContact N-O 3.31Å; D42-R49 PolarHBondContact O-N 3.49Å; D42-R49 WeakPolarHBondContact OD2-CD 3.46Å; D42-R49 IonicContact OD2-CZ 2.75Å; D42-R49 IonicContact OD2-NE 3.46Å; D42-R49 IonicContact OD2-NH1 3.5Å; D42-R49 PolarHBondContact OD2-NH1 3.39Å; K47-R49 PolarHBondContact O-NH1 2.9Å; R49-P62 HydrophobicContact CB-CB 4.03Å; R49-P62 HydrophobicContact CB-CG 4.39Å; R49-L64 CarbonylContact C-O 3.53Å; R49-L64 VanDerWaalsContact CA-O 3.28Å; R49-L64 WeakPolarHBondContact CA-O 3.43Å; R49-L65 HydrophobicContact CG-CD1 3.94Å; R49-L65 HydrophobicContact CG-CG 4.33Å; R49-G521 PolarHBondContact NE-O 3.47Å; R49-G521 PolarHBondContact NH2-O 3.21Å; R49-W525 HydrophobicContact CB-CG 4.41Å
50A98.1Very high92Very high0 Ų030.7 Ų30.70%018%0.183CC..EExtended strand (participates in β ladder)trans-135147.1-178.300000111.8V40 I41 P62 R63 L64 V119V40-A50 VanDerWaalsContact O-CA 3.3Å; V40-A50 WeakPolarHBondContact O-CA 3.47Å; I41-A50 HydrophobicContact CG1-CB 4.38Å; A50-P62 CarbonylContact O-C 3.58Å; A50-R63 PolarHBondContact O-N 2.87Å; A50-L64 HydrophobicContact CB-CB 4.26Å; A50-L64 HydrophobicContact CB-CD1 4.41Å; A50-L64 PolarHBondContact N-O 3.46Å; A50-L64 PolarHBondContact O-N 3Å; A50-V119 HydrophobicContact CB-CB 4.42Å; A50-V119 HydrophobicContact CB-CG1 3.52Å; A50-V119 HydrophobicContact CB-CG2 3.98Å
51G96.8Very high91.7Very high0 Ų033.7 Ų33.70%020%0.204CC..EExtended strand (participates in β ladder)trans178.6-171.7177.200000112V40V40-G51 PolarHBondContact N-O 3.05Å; V40-G51 PolarHBondContact O-N 2.92Å; V40-G51 VanDerWaalsContact O-N 3.09Å
52W95.8Very high91.5Very high1 Ų134.5 Ų34.50%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-96.7141.1-174.5-61.1101.7000111.9L27 C31 A37 I39 A54 F59 L123 L125 H133L27-W52 HydrophobicContact CD1-CH2 3.54Å; L27-W52 HydrophobicContact CD1-CZ2 3.36Å; C31-W52 HydrophobicContact CB-CD2 4.24Å; C31-W52 HydrophobicContact CB-CE3 4.08Å; C31-W52 HydrophobicContact CB-CH2 4.48Å; C31-W52 HydrophobicContact CB-CZ3 4.21Å; A37-W52 HydrophobicContact CB-CE3 4.27Å; I39-W52 HydrophobicContact CD1-CH2 3.9Å; I39-W52 HydrophobicContact CD1-CZ3 3.88Å; I39-W52 HydrophobicContact CG1-CE3 3.73Å; I39-W52 HydrophobicContact CG1-CH2 3.81Å; I39-W52 HydrophobicContact CG1-CZ3 3.31Å; W52-A54 PolarHBondContact O-N 2.9Å; W52-F59 HydrophobicContact CB-CD1 3.61Å; W52-F59 HydrophobicContact CB-CE1 3.94Å; W52-F59 HydrophobicContact CB-CG 4.15Å; W52-F59 AromaticContact CD1-CD1 3.79Å; W52-F59 AromaticContact CD1-CE1 3.56Å; W52-F59 AromaticContact CG-CD1 4Å; W52-F59 HydrophobicContact CG-CD1 4Å; W52-F59 AromaticContact CG-CE1 3.91Å; W52-F59 HydrophobicContact CG-CE1 3.91Å; W52-L123 HydrophobicContact CZ2-CB 4.2Å; W52-L125 HydrophobicContact CH2-CD2 4.19Å; W52-H133 AromaticContact CH2-CD2 3.96Å; W52-H133 AromaticContact CH2-CE1 3.72Å; W52-H133 AromaticContact CH2-ND1 3.88Å; W52-H133 AromaticContact CH2-NE2 3.76Å; W52-H133 HydrophobicContact CZ3-CB 4.29Å; W52-H133 AromaticContact CZ3-CE1 3.57Å; W52-H133 AromaticContact CZ3-CG 3.69Å; W52-H133 AromaticContact CZ3-ND1 3.34Å; W52-H133 VanDerWaalsContact CZ3-ND1 3.34Å; W52-H133 WeakPolarHBondContact CZ3-ND1 3.36Å
53A94.1Very high91.3Very high3 Ų336.6 Ų36.63%0.02522%0.217CC..  trans-90.985.5162.600000109.7P38 V40 R529 A532 L533P38-A53 HydrophobicContact CB-CB 4.18Å; P38-A53 HydrophobicContact CG-CB 4.46Å; P38-A53 PolarHBondContact O-N 3.49Å; V40-A53 HydrophobicContact CG2-CB 3.79Å; A53-R529 HydrophobicContact CB-CG 3.87Å; A53-A532 HydrophobicContact CB-CB 3.8Å; A53-L533 HydrophobicContact CB-CD2 4.41Å; A53-L533 HydrophobicContact CB-CG 4.31Å
54A89.4Confident91.3Very high7 Ų736 Ų366%0.05821%0.214CC..  trans-136.1148.4176.200000110.4A37 W52 A56 F59A37-A54 HydrophobicContact CB-CB 4.43Å; W52-A54 PolarHBondContact O-N 2.9Å; A54-A56 PolarHBondContact O-N 2.87Å; A54-F59 HydrophobicContact CB-CB 4.4Å; A54-F59 HydrophobicContact CB-CD2 3.42Å; A54-F59 VanDerWaalsContact CB-CD2 3.42Å; A54-F59 HydrophobicContact CB-CE2 3.79Å; A54-F59 HydrophobicContact CB-CG 3.98Å
55P79.5Confident91.2Very high129 Ų12938.3 Ų38.384%0.83822%0.222SC*.SBendtrans-73.3-5.9-171.627.3-34.7000114.9
56A79.8Confident91.3Very high26 Ų2637.5 Ų37.522%0.21522%0.216CC..SBendtrans-78.6146.3-178.100000112.6A54 E58 F59A54-A56 PolarHBondContact O-N 2.87Å; A56-E58 HydrophobicContact CB-CG 4.05Å; A56-E58 PolarHBondContact O-N 3.38Å; A56-E58 VanDerWaalsContact O-N 3.09Å; A56-F59 HydrophobicContact CB-CD2 3.76Å; A56-F59 HydrophobicContact CB-CE2 3.94Å; A56-F59 PolarHBondContact O-N 3.11Å
57A77Confident91.2Very high93 Ų9337.9 Ų37.977%0.76922%0.217SC*.G310 helixtrans-59.1-25.1-176.900000113.6F59 D60A57-F59 PolarHBondContact O-N 3.19Å; A57-D60 WeakPolarHBondContact O-CB 3.28Å; A57-D60 PolarHBondContact O-N 3.25Å
58E79.3Confident91.2Very high96 Ų9634.4 Ų34.445%0.44920%0.201SC..G310 helixtrans-68-12174.666.5-175.6164.700114Q30 A56Q30-E58 VanDerWaalsContact CD-OE1 3.32Å; Q30-E58 PolarHBondContact NE2-OE1 3.09Å; Q30-E58 PolarHBondContact OE1-OE1 2.9Å; A56-E58 HydrophobicContact CB-CG 4.05Å; A56-E58 PolarHBondContact O-N 3.38Å; A56-E58 VanDerWaalsContact O-N 3.09Å
59F84.5Confident91.1Very high2 Ų235.1 Ų35.11%0.00921%0.206CC..G310 helixtrans-109.818.7176.1-50.7-68.1000112.2P28 C31 W52 A54 A56 A57 S61 R529P28-F59 HydrophobicContact CB-CE1 4.46Å; P28-F59 HydrophobicContact CB-CZ 3.8Å; P28-F59 HydrophobicContact CG-CE1 3.89Å; P28-F59 HydrophobicContact CG-CZ 3.73Å; C31-F59 WeakPolarHBondContact SG-CZ 3.35Å; W52-F59 HydrophobicContact CB-CD1 3.61Å; W52-F59 HydrophobicContact CB-CE1 3.94Å; W52-F59 HydrophobicContact CB-CG 4.15Å; W52-F59 AromaticContact CD1-CD1 3.79Å; W52-F59 AromaticContact CD1-CE1 3.56Å; W52-F59 AromaticContact CG-CD1 4Å; W52-F59 HydrophobicContact CG-CD1 4Å; W52-F59 AromaticContact CG-CE1 3.91Å; W52-F59 HydrophobicContact CG-CE1 3.91Å; A54-F59 HydrophobicContact CB-CB 4.4Å; A54-F59 HydrophobicContact CB-CD2 3.42Å; A54-F59 VanDerWaalsContact CB-CD2 3.42Å; A54-F59 HydrophobicContact CB-CE2 3.79Å; A54-F59 HydrophobicContact CB-CG 3.98Å; A56-F59 HydrophobicContact CB-CD2 3.76Å; A56-F59 HydrophobicContact CB-CE2 3.94Å; A56-F59 PolarHBondContact O-N 3.11Å; A57-F59 PolarHBondContact O-N 3.19Å; F59-S61 PolarHBondContact O-N 2.92Å; F59-R529 PolarHBondContact O-NH1 3.22Å
60D85.4Confident90.9Very high90 Ų9033.8 Ų33.848%0.48120%0.202SC..SBendtrans-77.89.7178.6-160.336000114A57 Y526 R529A57-D60 WeakPolarHBondContact O-CB 3.28Å; A57-D60 PolarHBondContact O-N 3.25Å; D60-Y526 WeakPolarHBondContact O-CE1 3.43Å; D60-Y526 VanDerWaalsContact O-CZ 3.29Å; D60-Y526 PolarHBondContact O-OH 3.22Å; D60-R529 VanDerWaalsContact CA-NH1 3.32Å; D60-R529 IonicContact OD1-CZ 3.47Å; D60-R529 IonicContact OD1-NH1 2.77Å; D60-R529 PolarHBondContact OD1-NH1 2.98Å; D60-R529 IonicContact OD1-NH2 3.35Å
61S91.9Very high90.6Very high62 Ų6233.9 Ų33.943%0.43420%0.203SC..SBendtrans-153.3156.117557.80000110.4F59 R63 W525 Y526F59-S61 PolarHBondContact O-N 2.92Å; S61-R63 PolarHBondContact O-N 3.33Å; S61-W525 VanDerWaalsContact C-CZ3 3.46Å; S61-W525 WeakPolarHBondContact O-CH2 3.41Å; S61-Y526 WeakPolarHBondContact CA-OH 3.45Å
62P94.9Very high90Very high19 Ų1941 Ų4112%0.12323%0.23CC..  trans-57.9134.7171.525.2-33.1000109.2R49 A50 L522 W525R49-P62 HydrophobicContact CB-CB 4.03Å; R49-P62 HydrophobicContact CB-CG 4.39Å; A50-P62 CarbonylContact O-C 3.58Å; P62-L522 HydrophobicContact CG-CD2 4.36Å; P62-W525 HydrophobicContact CB-CD2 3.86Å; P62-W525 HydrophobicContact CB-CE3 4.29Å; P62-W525 HydrophobicContact CB-CG 4.24Å; P62-W525 HydrophobicContact CB-CZ2 4.14Å; P62-W525 HydrophobicContact CG-CD2 4.26Å; P62-W525 HydrophobicContact CG-CE3 4.33Å
63R94.1Very high88.8Confident50 Ų5044.2 Ų44.219%0.18925%0.252CS..SBendtrans-74.8-33.8178-75-162.7172.1-161.8-5.4111.9F25 A50 S61 L123F25-R63 HydrophobicContact CD2-CB 4.4Å; F25-R63 HydrophobicContact CE2-CB 4Å; F25-R63 HydrophobicContact CZ-CB 4.49Å; A50-R63 PolarHBondContact O-N 2.87Å; S61-R63 PolarHBondContact O-N 3.33Å; R63-L123 HydrophobicContact CB-CD2 3.9Å; R63-L123 HydrophobicContact CG-CD2 4.48Å
64L96.7Very high87.3Confident0 Ų055.2 Ų55.20%029%0.293CS..EExtended strand (participates in β ladder)trans-116.8132.8179.4-56.4176.2000109.4D22 F25 R49 A50 F66 V119 H122 L123D22-L64 HydrophobicContact CB-CD2 4.01Å; F25-L64 HydrophobicContact CD2-CD2 4.45Å; F25-L64 HydrophobicContact CE2-CD2 3.92Å; R49-L64 CarbonylContact C-O 3.53Å; R49-L64 VanDerWaalsContact CA-O 3.28Å; R49-L64 WeakPolarHBondContact CA-O 3.43Å; A50-L64 HydrophobicContact CB-CB 4.26Å; A50-L64 HydrophobicContact CB-CD1 4.41Å; A50-L64 PolarHBondContact N-O 3.46Å; A50-L64 PolarHBondContact O-N 3Å; L64-F66 HydrophobicContact CB-CD1 4.12Å; L64-F66 HydrophobicContact CB-CE1 4.11Å; L64-V119 HydrophobicContact CD1-CB 4.44Å; L64-V119 HydrophobicContact CD1-CG1 4.42Å; L64-V119 HydrophobicContact CD1-CG2 4.44Å; L64-H122 HydrophobicContact CD1-CB 3.73Å; L64-H122 HydrophobicContact CD2-CB 3.78Å; L64-H122 HydrophobicContact CG-CB 4.41Å; L64-L123 HydrophobicContact CD1-CD2 4.24Å; L64-L123 HydrophobicContact CD1-CG 4.01Å; L64-L123 HydrophobicContact CG-CD2 4.31Å
65L95.8Very high85.7Confident64 Ų6458.9 Ų58.934%0.33533%0.332SS..EExtended strand (participates in β ladder)trans-145.3103.3174.3-175.2138.2000108.7K47 R49 N85 L522K47-L65 HydrophobicContact CD-CD2 4.08Å; R49-L65 HydrophobicContact CG-CD1 3.94Å; R49-L65 HydrophobicContact CG-CG 4.33Å; L65-N85 PolarHBondContact O-ND2 2.83Å; L65-L522 HydrophobicContact CD1-CD2 3.68Å
66F95.9Very high84.4Confident1 Ų156 Ų560%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-142.3161.2-173.160.6-90000111.5K47 T48 L64 I83 N85 I115 Y118 V119K47-F66 CarbonylContact C-O 3.57Å; K47-F66 WeakPolarHBondContact CA-O 3.26Å; K47-F66 WeakPolarHBondContact CB-O 3.03Å; T48-F66 HydrophobicContact CG2-CE1 4.17Å; T48-F66 HydrophobicContact CG2-CE2 4.44Å; T48-F66 HydrophobicContact CG2-CZ 3.81Å; T48-F66 PolarHBondContact N-O 2.76Å; T48-F66 PolarHBondContact O-N 3.25Å; L64-F66 HydrophobicContact CB-CD1 4.12Å; L64-F66 HydrophobicContact CB-CE1 4.11Å; F66-I83 HydrophobicContact CE2-CG2 4.18Å; F66-N85 HydrophobicContact CB-CB 4.2Å; F66-N85 VanDerWaalsContact CB-CG 3.46Å; F66-N85 WeakPolarHBondContact CB-OD1 3.34Å; F66-I115 HydrophobicContact CE2-CD1 3.95Å; F66-I115 HydrophobicContact CE2-CG2 4.3Å; F66-I115 HydrophobicContact CZ-CG2 4.24Å; F66-Y118 HydrophobicContact CD1-CD1 4.15Å; F66-Y118 AromaticContact CD1-CE1 3.64Å; F66-Y118 HydrophobicContact CD1-CE1 3.64Å; F66-Y118 HydrophobicContact CD2-CD1 4.46Å; F66-Y118 HydrophobicContact CD2-CE1 4.22Å; F66-Y118 AromaticContact CE1-CD1 3.66Å; F66-Y118 HydrophobicContact CE1-CD1 3.66Å; F66-Y118 AromaticContact CE1-CE1 3.64Å; F66-Y118 HydrophobicContact CE1-CE1 3.64Å; F66-Y118 HydrophobicContact CE2-CD1 4Å; F66-Y118 HydrophobicContact CE2-CE1 4.21Å; F66-Y118 AromaticContact CG-CE1 3.94Å; F66-Y118 HydrophobicContact CG-CE1 3.94Å; F66-Y118 AromaticContact CZ-CD1 3.57Å; F66-Y118 HydrophobicContact CZ-CD1 3.57Å; F66-Y118 AromaticContact CZ-CE1 3.93Å; F66-Y118 HydrophobicContact CZ-CE1 3.93Å; F66-V119 HydrophobicContact CE1-CG2 3.94Å; F66-V119 HydrophobicContact CZ-CG2 3.8Å
67R94.6Very high83.1Confident47 Ų4760.3 Ų60.318%0.17735%0.354CS..EExtended strand (participates in β ladder)trans-71.1134.8178.5-166.8175.7179.8128.55.3110.4F46 V69 G84 E248F46-R67 WeakPolarHBondContact O-CA 3.4Å; F46-R67 WeakPolarHBondContact O-CG 3.43Å; R67-V69 HydrophobicContact CB-CG2 4.08Å; R67-V69 HydrophobicContact CG-CG1 4.21Å; R67-V69 HydrophobicContact CG-CG2 3.88Å; R67-V69 PolarHBondContact O-N 2.7Å; R67-G84 WeakPolarHBondContact O-CA 3.27Å; R67-E248 IonicContact CZ-OE1 3.71Å; R67-E248 IonicContact CZ-OE2 3.01Å; R67-E248 IonicContact NH1-OE2 3.55Å; R67-E248 PolarHBondContact NH1-OE2 2.85Å; R67-E248 IonicContact NH2-OE1 3.17Å; R67-E248 PolarHBondContact NH2-OE1 2.94Å; R67-E248 IonicContact NH2-OE2 2.76Å; R67-E248 PolarHBondContact NH2-OE2 2.97Å
68S95.6Very high81.8Confident0 Ų065.9 Ų65.90%036%0.355CS..SBendtrans-78.961.6-175.3-470000112.5G44 F46 K47 T48 S99 Q100G44-S68 WeakPolarHBondContact O-CB 3.49Å; G44-S68 PolarHBondContact O-OG 3.35Å; F46-S68 PolarHBondContact O-N 3.05Å; F46-S68 VanDerWaalsContact O-N 3.08Å; K47-S68 WeakPolarHBondContact CA-OG 3.42Å; K47-S68 PolarHBondContact N-OG 2.84Å; T48-S68 PolarHBondContact N-OG 2.8Å; T48-S68 PolarHBondContact OG1-OG 3.37Å; S68-S99 PolarHBondContact O-OG 3.07Å; S68-Q100 PolarHBondContact O-OE1 2.9Å
69V95.1Very high80.9Confident15 Ų1564.1 Ų64.19%0.09135%0.353CS..  trans-138.7148-177.2-65.50000111.2R67 G84 I87 L90 L97 K98R67-V69 HydrophobicContact CB-CG2 4.08Å; R67-V69 HydrophobicContact CG-CG1 4.21Å; R67-V69 HydrophobicContact CG-CG2 3.88Å; R67-V69 PolarHBondContact O-N 2.7Å; V69-G84 PolarHBondContact O-N 3.17Å; V69-I87 HydrophobicContact CG2-CD1 4.17Å; V69-L90 HydrophobicContact CG2-CD2 4.18Å; V69-L97 HydrophobicContact CB-CD2 4.28Å; V69-L97 HydrophobicContact CG2-CD2 4.11Å; V69-K98 CarbonylContact C-O 3.59Å; V69-K98 VanDerWaalsContact CA-O 3.3Å; V69-K98 WeakPolarHBondContact CA-O 3.49Å
70A94.8Very high80.5Confident5 Ų570.9 Ų70.94%0.04139%0.385CS..EExtended strand (participates in β ladder)trans-122.6145.7173.600000110.1T81 Q82 I83 K98 I111A70-T81 HydrophobicContact CB-CG2 4.37Å; A70-Q82 CarbonylContact C-O 3.59Å; A70-Q82 WeakPolarHBondContact CA-O 3.2Å; A70-I83 HydrophobicContact CB-CD1 3.41Å; A70-I83 VanDerWaalsContact CB-CD1 3.41Å; A70-K98 PolarHBondContact N-O 3.43Å; A70-K98 PolarHBondContact O-N 2.84Å; A70-I111 HydrophobicContact CB-CG2 3.95Å
71A92.3Very high80.6Confident2 Ų268.6 Ų68.62%0.01738%0.375CS..EExtended strand (participates in β ladder)trans-131.4128.3172.300000110.1Q82 I87 L93 L97A71-Q82 PolarHBondContact N-O 2.93Å; A71-Q82 PolarHBondContact O-N 2.85Å; A71-I87 HydrophobicContact CB-CD1 3.9Å; A71-I87 HydrophobicContact CB-CG1 4.4Å; A71-L93 HydrophobicContact CB-CD1 3.91Å; A71-L97 HydrophobicContact CB-CD2 4.26Å
72R83.9Confident80.6Confident150 Ų15069 Ų6957%0.56637%0.369SS*.EExtended strand (participates in β ladder)trans-105.1118.6172.7-170.1179.1-71.4-170.22.2109.5L96R72-L96 WeakPolarHBondContact O-CD2 3.35Å
73S71.3Confident80.6Confident67 Ų6768.5 Ų68.547%0.46937%0.366SS..  trans-71139.1175.3-173.60000111S79S73-S79 VanDerWaalsContact O-CB 3.26Å; S73-S79 WeakPolarHBondContact O-CB 3.44Å
74R61Low80.6Confident234 Ų23466.2 Ų66.288%0.88336%0.358SS*.SBendtrans-95.3126.1172.7-69.8-176175.4179.7-1.6109
75G57.2Low80.4Confident85 Ų8567.4 Ų67.488%0.87636%0.364SS*.SBendtrans117.418.7159.400000119.5
76A50.4Low80.3Confident69 Ų6966.3 Ų66.357%0.5736%0.359SS*.SBendtrans-125.6153168.400000111.5R78 S79A76-R78 CarbonylContact O-C 3.34Å; A76-R78 PolarHBondContact O-N 3.28Å; A76-S79 PolarHBondContact O-N 2.9Å
77A53.7Low80Confident116 Ų11666.3 Ų66.396%0.95936%0.359SS*.SBendtrans-59.2-8.6178.600000114.2
78R50.3Low79.6Confident210 Ų21067.4 Ų67.479%0.79237%0.372SS*.SBendtrans-134.893.5162.4-68.1-177.6178.1-179.4-2.1108A76 E80A76-R78 CarbonylContact O-C 3.34Å; A76-R78 PolarHBondContact O-N 3.28Å; R78-E80 VanDerWaalsContact C-N 3.34Å; R78-E80 PolarHBondContact O-N 3.49Å
79S60.4Low79.1Confident58 Ų5870.3 Ų70.341%0.40639%0.388SS..  trans-73.192.8168.362.60000108.3S73 A76 T81S73-S79 VanDerWaalsContact O-CB 3.26Å; S73-S79 WeakPolarHBondContact O-CB 3.44Å; A76-S79 PolarHBondContact O-N 2.9Å; S79-T81 PolarHBondContact O-N 3.2Å
80E74.7Confident78.7Confident144 Ų14471.1 Ų71.167%0.67339%0.391SS*.PPolyproline II helixtrans-69.5130.2171.8-76.2174.8-175.100109.1R78R78-E80 VanDerWaalsContact C-N 3.34Å; R78-E80 PolarHBondContact O-N 3.49Å
81T88.6Confident78.2Confident43 Ų4371.5 Ų71.526%0.26439%0.392SS..EExtended strand (participates in β ladder)trans-82.4127.1172.2-56.40000107.4A70 S79 I83 L114A70-T81 HydrophobicContact CB-CG2 4.37Å; S79-T81 PolarHBondContact O-N 3.2Å; T81-I83 HydrophobicContact CG2-CD1 3.78Å; T81-L114 HydrophobicContact CG2-CD1 4.13Å
82Q92Very high77.9Confident69 Ų6975.7 Ų75.732%0.32242%0.419SS..EExtended strand (participates in β ladder)trans-98135.6176.3-64.1179.2-25.900109.3A70 A71 D86 I87A70-Q82 CarbonylContact C-O 3.59Å; A70-Q82 WeakPolarHBondContact CA-O 3.2Å; A71-Q82 PolarHBondContact N-O 2.93Å; A71-Q82 PolarHBondContact O-N 2.85Å; Q82-D86 HydrophobicContact CB-CB 4.35Å; Q82-I87 HydrophobicContact CB-CD1 4.47Å; Q82-I87 HydrophobicContact CB-CG1 3.58Å
83I94.3Very high78Confident9 Ų970.4 Ų70.45%0.04640%0.402CS..EExtended strand (participates in β ladder)trans-122.4132.5-175.8-54.9-61.2000109.4F66 A70 T81 N85 D86 L114 I115 Y118F66-I83 HydrophobicContact CE2-CG2 4.18Å; A70-I83 HydrophobicContact CB-CD1 3.41Å; A70-I83 VanDerWaalsContact CB-CD1 3.41Å; T81-I83 HydrophobicContact CG2-CD1 3.78Å; I83-N85 PolarHBondContact O-N 2.96Å; I83-D86 WeakPolarHBondContact O-CB 3.42Å; I83-D86 PolarHBondContact O-N 3.26Å; I83-L114 HydrophobicContact CD1-CB 3.92Å; I83-I115 HydrophobicContact CG2-CD1 3.53Å; I83-Y118 HydrophobicContact CB-CD2 3.75Å; I83-Y118 HydrophobicContact CB-CE2 4.23Å; I83-Y118 HydrophobicContact CB-CG 4Å; I83-Y118 HydrophobicContact CG1-CD2 4.39Å; I83-Y118 HydrophobicContact CG2-CD1 4.17Å; I83-Y118 HydrophobicContact CG2-CD2 4.08Å; I83-Y118 HydrophobicContact CG2-CG 3.8Å
84G93.4Very high78.7Confident2 Ų271.8 Ų71.82%0.02140%0.397CS..G310 helixtrans52.2-114.9169.900000114.4R67 V69 D86 I87R67-G84 WeakPolarHBondContact O-CA 3.27Å; V69-G84 PolarHBondContact O-N 3.17Å; G84-D86 VanDerWaalsContact C-N 3.26Å; G84-D86 PolarHBondContact O-N 3.46Å; G84-I87 WeakPolarHBondContact O-CB 3.18Å; G84-I87 PolarHBondContact O-N 3.43Å
85N93.8Very high79.9Confident25 Ų2570.6 Ų70.613%0.13439%0.393CS..G310 helixtrans-73.4-15.3-174.6-69.6-14.3000113.3T19 S20 D22 L65 F66 I83 I87T19-N85 WeakPolarHBondContact CB-O 3.44Å; T19-N85 PolarHBondContact OG1-O 3.2Å; S20-N85 CarbonylContact C-O 3.59Å; S20-N85 WeakPolarHBondContact O-CB 3.27Å; D22-N85 PolarHBondContact OD1-ND2 3.49Å; D22-N85 PolarHBondContact OD2-ND2 3.05Å; L65-N85 PolarHBondContact O-ND2 2.83Å; F66-N85 HydrophobicContact CB-CB 4.2Å; F66-N85 VanDerWaalsContact CB-CG 3.46Å; F66-N85 WeakPolarHBondContact CB-OD1 3.34Å; I83-N85 PolarHBondContact O-N 2.96Å; N85-I87 PolarHBondContact O-N 3.42Å
86D92.1Very high81.5Confident41 Ų4169.4 Ų69.422%0.21937%0.366CS..G310 helixtrans-67.5-13.3170.8-70.9-6.5000113.2P21 Q82 I83 G84 P88 Y118P21-D86 VanDerWaalsContact CA-OD1 3.3Å; P21-D86 WeakPolarHBondContact CA-OD1 3.33Å; P21-D86 VanDerWaalsContact CB-OD1 3.28Å; P21-D86 WeakPolarHBondContact CB-OD1 3.43Å; Q82-D86 HydrophobicContact CB-CB 4.35Å; I83-D86 WeakPolarHBondContact O-CB 3.42Å; I83-D86 PolarHBondContact O-N 3.26Å; G84-D86 VanDerWaalsContact C-N 3.26Å; G84-D86 PolarHBondContact O-N 3.46Å; D86-P88 WeakPolarHBondContact O-CD 3.35Å; D86-Y118 WeakPolarHBondContact OD2-CE2 3.38Å
87I90.6Very high83.5Confident1 Ų168.1 Ų68.11%0.00535%0.349CS..  trans-89.196.7174.7-58.9166.5000108.1T19 V69 A71 Q82 G84 N85 N89 L90 L93 L97T19-I87 PolarHBondContact OG1-O 3.35Å; V69-I87 HydrophobicContact CG2-CD1 4.17Å; A71-I87 HydrophobicContact CB-CD1 3.9Å; A71-I87 HydrophobicContact CB-CG1 4.4Å; Q82-I87 HydrophobicContact CB-CD1 4.47Å; Q82-I87 HydrophobicContact CB-CG1 3.58Å; G84-I87 WeakPolarHBondContact O-CB 3.18Å; G84-I87 PolarHBondContact O-N 3.43Å; N85-I87 PolarHBondContact O-N 3.42Å; I87-N89 PolarHBondContact O-N 2.87Å; I87-N89 VanDerWaalsContact O-N 3.14Å; I87-L90 HydrophobicContact CB-CD2 4.4Å; I87-L90 HydrophobicContact CG2-CD2 3.93Å; I87-L93 HydrophobicContact CG2-CD1 3.92Å; I87-L97 HydrophobicContact CD1-CD2 3.91Å
88P85.8Confident85.4Confident71 Ų7168.8 Ų68.846%0.46133%0.33SS..SBendtrans-66-25.3-170.327.9-37.4000113.2K18 D86K18-P88 WeakPolarHBondContact CA-O 3.23Å; D86-P88 WeakPolarHBondContact O-CD 3.35Å
89N86.2Confident87.6Confident61 Ų6160.8 Ų60.833%0.32631%0.306SS..  trans-146.7121174.9-172.3-9.2000109.5I87 E91 P92I87-N89 PolarHBondContact O-N 2.87Å; I87-N89 VanDerWaalsContact O-N 3.14Å; N89-E91 VanDerWaalsContact C-N 3.27Å; N89-E91 PolarHBondContact O-N 3.45Å; N89-E91 VanDerWaalsContact OD1-CB 3.28Å; N89-E91 WeakPolarHBondContact OD1-CB 3.46Å; N89-E91 WeakPolarHBondContact OD1-CG 3.46Å; N89-E91 PolarHBondContact OD1-N 2.81Å; N89-P92 HydrophobicContact CB-CG 4.49Å; N89-P92 VanDerWaalsContact CG-CD 3.5Å; N89-P92 WeakPolarHBondContact O-CD 3.41Å
90L85.8Confident89.3Confident32 Ų3258 Ų5817%0.16829%0.287CS..Hα-helixtrans-69.7-25.4177.9-64.2169.7000112.2V69 I87 L93 R94 L97V69-L90 HydrophobicContact CG2-CD2 4.18Å; I87-L90 HydrophobicContact CB-CD2 4.4Å; I87-L90 HydrophobicContact CG2-CD2 3.93Å; L90-L93 CarbonylContact O-C 3.5Å; L90-L93 PolarHBondContact O-N 3.43Å; L90-R94 WeakPolarHBondContact O-CA 3.31Å; L90-R94 PolarHBondContact O-N 2.94Å; L90-L97 HydrophobicContact CB-CD1 4.34Å; L90-L97 HydrophobicContact CD2-CD1 3.97Å; L90-L97 HydrophobicContact CD2-CD2 3.88Å
91E85.6Confident90.4Very high12 Ų1252.3 Ų52.36%0.05626%0.26CS..Hα-helixtrans-62.5-51.3-170.9-67.8-59.4148.900114.2N89 L93 R94 T243 S245N89-E91 VanDerWaalsContact C-N 3.27Å; N89-E91 PolarHBondContact O-N 3.45Å; N89-E91 VanDerWaalsContact OD1-CB 3.28Å; N89-E91 WeakPolarHBondContact OD1-CB 3.46Å; N89-E91 WeakPolarHBondContact OD1-CG 3.46Å; N89-E91 PolarHBondContact OD1-N 2.81Å; E91-L93 PolarHBondContact O-N 3.03Å; E91-R94 PolarHBondContact O-N 3.3Å; E91-R94 PolarHBondContact O-NE 3.27Å; E91-R94 VanDerWaalsContact O-NE 3.07Å; E91-R94 PolarHBondContact O-NH2 2.82Å; E91-R94 VanDerWaalsContact O-NH2 3.16Å; E91-R94 IonicContact OE2-CZ 3.59Å; E91-R94 IonicContact OE2-NE 3.43Å; E91-R94 PolarHBondContact OE2-NE 3.32Å; E91-R94 VanDerWaalsContact OE2-NE 3.17Å; E91-R94 IonicContact OE2-NH2 2.82Å; E91-R94 PolarHBondContact OE2-NH2 3.43Å; E91-T243 VanDerWaalsContact CD-OG1 3.24Å; E91-T243 WeakPolarHBondContact OE1-CB 3.36Å; E91-T243 PolarHBondContact OE1-OG1 3.02Å; E91-T243 VanDerWaalsContact OE2-CB 3.32Å; E91-T243 WeakPolarHBondContact OE2-CB 3.39Å; E91-T243 WeakPolarHBondContact OE2-CG2 3.25Å; E91-T243 PolarHBondContact OE2-OG1 3.28Å; E91-S245 PolarHBondContact OE1-OG 3.42Å
92P85.6Confident90.8Very high91 Ų9155 Ų5559%0.59127%0.273SS*.Hα-helixtrans-64.8-26.7178.9-20.634.8000112.8N89N89-P92 HydrophobicContact CB-CG 4.49Å; N89-P92 VanDerWaalsContact CG-CD 3.5Å; N89-P92 WeakPolarHBondContact O-CD 3.41Å
93L86.1Confident90.8Very high38 Ų3856.5 Ų56.520%0.19928%0.276CS..Hα-helixtrans-100.45.3-175.5-60.1-176.2000113.4A71 I87 L90 E91 W95 L96 L97A71-L93 HydrophobicContact CB-CD1 3.91Å; I87-L93 HydrophobicContact CG2-CD1 3.92Å; L90-L93 CarbonylContact O-C 3.5Å; L90-L93 PolarHBondContact O-N 3.43Å; E91-L93 PolarHBondContact O-N 3.03Å; L93-W95 PolarHBondContact O-N 3.35Å; L93-L96 WeakPolarHBondContact O-CA 3.4Å; L93-L96 PolarHBondContact O-N 2.75Å; L93-L97 PolarHBondContact O-N 3.12Å; L93-L97 VanDerWaalsContact O-N 3.11Å
94R86.2Confident90.8Very high96 Ų9657 Ų5736%0.36228%0.278SS..THydrogen-bonded Turntrans-52.3-33.9-169.973.2179.377.987.4-4.3114.4L90 E91L90-R94 WeakPolarHBondContact O-CA 3.31Å; L90-R94 PolarHBondContact O-N 2.94Å; E91-R94 PolarHBondContact O-N 3.3Å; E91-R94 PolarHBondContact O-NE 3.27Å; E91-R94 VanDerWaalsContact O-NE 3.07Å; E91-R94 PolarHBondContact O-NH2 2.82Å; E91-R94 VanDerWaalsContact O-NH2 3.16Å; E91-R94 IonicContact OE2-CZ 3.59Å; E91-R94 IonicContact OE2-NE 3.43Å; E91-R94 PolarHBondContact OE2-NE 3.32Å; E91-R94 VanDerWaalsContact OE2-NE 3.17Å; E91-R94 IonicContact OE2-NH2 2.82Å; E91-R94 PolarHBondContact OE2-NH2 3.43Å
95W86.1Confident91Very high210 Ų21057.9 Ų57.980%0.79528%0.283SS*.THydrogen-bonded Turntrans-82.7-15.3179.8-54.7120000113.8L93L93-W95 PolarHBondContact O-N 3.35Å
96L90.5Very high91.2Very high59 Ų5957.3 Ų57.331%0.30928%0.281SS..THydrogen-bonded Turntrans-100.3-12.5179.6-66.386.8000112.4R72 L93 K98R72-L96 WeakPolarHBondContact O-CD2 3.35Å; L93-L96 WeakPolarHBondContact O-CA 3.4Å; L93-L96 PolarHBondContact O-N 2.75Å; L96-K98 PolarHBondContact O-N 3.17Å
97L91.8Very high91.4Very high42 Ų4259.1 Ų59.122%0.2229%0.293CS..EExtended strand (participates in β ladder)trans-60.8131.7177.4-65175000110.4V69 A71 I87 L90 L93V69-L97 HydrophobicContact CB-CD2 4.28Å; V69-L97 HydrophobicContact CG2-CD2 4.11Å; A71-L97 HydrophobicContact CB-CD2 4.26Å; I87-L97 HydrophobicContact CD1-CD2 3.91Å; L90-L97 HydrophobicContact CB-CD1 4.34Å; L90-L97 HydrophobicContact CD2-CD1 3.97Å; L90-L97 HydrophobicContact CD2-CD2 3.88Å; L93-L97 PolarHBondContact O-N 3.12Å; L93-L97 VanDerWaalsContact O-N 3.11Å
98K94.6Very high91.7Very high130 Ų13061.7 Ų61.757%0.56531%0.307SS*.EExtended strand (participates in β ladder)trans-126.4147.3174.3-58.9-67-178.6179.90109.7V69 A70 L96 I111V69-K98 CarbonylContact C-O 3.59Å; V69-K98 VanDerWaalsContact CA-O 3.3Å; V69-K98 WeakPolarHBondContact CA-O 3.49Å; A70-K98 PolarHBondContact N-O 3.43Å; A70-K98 PolarHBondContact O-N 2.84Å; L96-K98 PolarHBondContact O-N 3.17Å; K98-I111 HydrophobicContact CB-CD1 3.34Å; K98-I111 HydrophobicContact CG-CD1 4.33Å
99S95.4Very high92.3Very high42 Ų4259.9 Ų59.929%0.29429%0.292SS..  trans-116.6150.3173.5-173.30000109.6S68 F101S68-S99 PolarHBondContact O-OG 3.07Å; S99-F101 PolarHBondContact O-N 2.85Å; S99-F101 PolarHBondContact OG-N 3.07Å
100Q97.1Very high92.7Very high0 Ų063.9 Ų63.90%031%0.309CS..SBendtrans-69.5-18.6170.171.4-88.455.800112.5S68 V106 V107 N108 I111 Q112S68-Q100 PolarHBondContact O-OE1 2.9Å; Q100-V106 HydrophobicContact CB-CG1 4.3Å; Q100-V106 HydrophobicContact CG-CG1 4.32Å; Q100-V106 HydrophobicContact CG-CG2 4.26Å; Q100-V107 PolarHBondContact O-N 3.11Å; Q100-N108 PolarHBondContact O-N 2.92Å; Q100-I111 HydrophobicContact CB-CB 4.11Å; Q100-I111 HydrophobicContact CB-CG2 3.99Å; Q100-Q112 HydrophobicContact CB-CB 4.18Å
101F97.5Very high93.2Very high25 Ų2563 Ų6311%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-95.1138.3-172.8-64.7-84.6000112.2N43 S45 S99 V105 V106N43-F101 WeakPolarHBondContact O-CZ 3.35Å; N43-F101 WeakPolarHBondContact OD1-CZ 3.13Å; S45-F101 VanDerWaalsContact CA-CD2 3.45Å; S45-F101 VanDerWaalsContact CA-CE2 3.45Å; S99-F101 PolarHBondContact O-N 2.85Å; S99-F101 PolarHBondContact OG-N 3.07Å; F101-V105 CarbonylContact C-O 3.57Å; F101-V105 VanDerWaalsContact CA-O 3.3Å; F101-V105 WeakPolarHBondContact CA-O 3.3Å; F101-V106 HydrophobicContact CD1-CG2 3.79Å; F101-V106 HydrophobicContact CE1-CG2 3.35Å; F101-V106 HydrophobicContact CZ-CG2 3.84Å
102D95.8Very high93.8Very high100 Ų10062.4 Ų62.454%0.53530%0.301SS..EExtended strand (participates in β ladder)trans-98.2113.1149.3179.218000107.7N104 V105 V107D102-N104 PolarHBondContact O-N 2.86Å; D102-V105 PolarHBondContact N-O 2.98Å; D102-V105 PolarHBondContact O-N 2.79Å; D102-V107 HydrophobicContact CB-CG1 4Å; D102-V107 HydrophobicContact CB-CG2 3.65Å
103R92.4Very high94.4Very high99 Ų9961.8 Ų61.837%0.37429%0.291SS..THydrogen-bonded Turntrans52.8-103.7-166.5-57.7176.3-179.3-103.73.1111S45 H196S45-R103 WeakPolarHBondContact CB-O 3.4Å; R103-H196 VanDerWaalsContact C-CD2 3.49Å; R103-H196 HydrophobicContact CB-CB 3.94Å; R103-H196 PolarHBondContact O-CD2 2.81Å
104N93.9Very high94.8Very high19 Ų1962.3 Ų62.310%0.10229%0.293CS..THydrogen-bonded Turntrans-115.66.1-178.671-43.4000113.4D102 A140 C197 R215D102-N104 PolarHBondContact O-N 2.86Å; N104-A140 VanDerWaalsContact ND2-CB 3.35Å; N104-A140 WeakPolarHBondContact ND2-CB 3.44Å; N104-C197 PolarHBondContact ND2-SG 2.79Å; N104-R215 PolarHBondContact OD1-NH1 2.97Å; N104-R215 PolarHBondContact OD1-NH2 3.49Å
105V97.3Very high95.4Very high21 Ų2157.8 Ų57.813%0.12728%0.276CS..EExtended strand (participates in β ladder)trans-109.7132.5-179179.10000108.9F101 D102 V107 P144 C147F101-V105 CarbonylContact C-O 3.57Å; F101-V105 VanDerWaalsContact CA-O 3.3Å; F101-V105 WeakPolarHBondContact CA-O 3.3Å; D102-V105 PolarHBondContact N-O 2.98Å; D102-V105 PolarHBondContact O-N 2.79Å; V105-V107 HydrophobicContact CG1-CG1 4.34Å; V105-V107 PolarHBondContact O-N 3.45Å; V105-P144 HydrophobicContact CG1-CG 4.06Å; V105-C147 HydrophobicContact CG1-CB 4.14Å; V105-C147 WeakPolarHBondContact CG1-SG 3.35Å
106V98Very high95.9Very high13 Ų1347.8 Ų47.88%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-71.8122.1175-178.50000108.9Q100 F101 F109 Q112 C147 M151Q100-V106 HydrophobicContact CB-CG1 4.3Å; Q100-V106 HydrophobicContact CG-CG1 4.32Å; Q100-V106 HydrophobicContact CG-CG2 4.26Å; F101-V106 HydrophobicContact CD1-CG2 3.79Å; F101-V106 HydrophobicContact CE1-CG2 3.35Å; F101-V106 HydrophobicContact CZ-CG2 3.84Å; V106-F109 HydrophobicContact CB-CZ 4.35Å; V106-F109 HydrophobicContact CG1-CD1 4.37Å; V106-F109 HydrophobicContact CG1-CE1 4Å; V106-F109 HydrophobicContact CG1-CE2 4.22Å; V106-F109 HydrophobicContact CG1-CZ 3.89Å; V106-Q112 HydrophobicContact CG1-CB 4.01Å; V106-Q112 HydrophobicContact CG1-CG 4.16Å; V106-C147 PolarHBondContact O-SG 3.47Å; V106-M151 HydrophobicContact CB-CE 4.41Å; V106-M151 HydrophobicContact CG1-CE 4.26Å; V106-M151 HydrophobicContact CG2-CE 4.23Å
107V97.1Very high96.1Very high79 Ų7948 Ų4848%0.47924%0.24SC..  trans-126.3-28.3178.5-600000112.4Q100 D102 V105Q100-V107 PolarHBondContact O-N 3.11Å; D102-V107 HydrophobicContact CB-CG1 4Å; D102-V107 HydrophobicContact CB-CG2 3.65Å; V105-V107 HydrophobicContact CG1-CG1 4.34Å; V105-V107 PolarHBondContact O-N 3.45Å
108N97.4Very high96.3Very high55 Ų5546.6 Ų46.629%0.29423%0.232SC..  trans-99.992.9177.8-173.9-26.7000109.5Q100 E110 I111 Q112Q100-N108 PolarHBondContact O-N 2.92Å; N108-E110 VanDerWaalsContact C-N 3.34Å; N108-E110 WeakPolarHBondContact OD1-CB 3.3Å; N108-E110 PolarHBondContact OD1-N 2.88Å; N108-I111 HydrophobicContact CB-CD1 4.34Å; N108-I111 VanDerWaalsContact ND2-CD1 3.3Å; N108-I111 WeakPolarHBondContact ND2-CD1 3.3Å; N108-I111 PolarHBondContact O-N 2.79Å; N108-I111 PolarHBondContact OD1-N 2.85Å; N108-I111 VanDerWaalsContact OD1-N 3.13Å; N108-Q112 PolarHBondContact O-N 2.93Å; N108-Q112 VanDerWaalsContact O-N 3.12Å
109F97.5Very high96.5Very high33 Ų3340.4 Ų40.415%0.14521%0.205CC..Hα-helixtrans-74.2-22.4-177.5-76.4-88.6000113.6V106 I111 Q112 E113 C147 M150 M151 L154V106-F109 HydrophobicContact CB-CZ 4.35Å; V106-F109 HydrophobicContact CG1-CD1 4.37Å; V106-F109 HydrophobicContact CG1-CE1 4Å; V106-F109 HydrophobicContact CG1-CE2 4.22Å; V106-F109 HydrophobicContact CG1-CZ 3.89Å; F109-I111 VanDerWaalsContact C-N 3.33Å; F109-I111 PolarHBondContact O-N 3.19Å; F109-Q112 HydrophobicContact CD1-CB 4.41Å; F109-Q112 HydrophobicContact CD1-CG 4.48Å; F109-Q112 PolarHBondContact O-N 3.45Å; F109-E113 WeakPolarHBondContact O-CB 3.35Å; F109-E113 PolarHBondContact O-N 2.93Å; F109-C147 VanDerWaalsContact CZ-O 3.29Å; F109-C147 WeakPolarHBondContact CZ-O 3.47Å; F109-M150 HydrophobicContact CD1-CB 4.09Å; F109-M150 HydrophobicContact CD2-CB 3.91Å; F109-M150 HydrophobicContact CD2-CG 4.44Å; F109-M150 HydrophobicContact CE1-CB 3.72Å; F109-M150 HydrophobicContact CE2-CB 3.52Å; F109-M150 HydrophobicContact CE2-CG 4.14Å; F109-M150 HydrophobicContact CG-CB 4.2Å; F109-M150 HydrophobicContact CZ-CB 3.43Å; F109-M150 VanDerWaalsContact CZ-CB 3.43Å; F109-M150 HydrophobicContact CZ-CG 4.47Å; F109-M151 HydrophobicContact CE1-CB 3.98Å; F109-M151 HydrophobicContact CE1-CE 4Å; F109-M151 HydrophobicContact CE1-SD 4.38Å; F109-L154 HydrophobicContact CD1-CD2 4.21Å
110E95.7Very high96.5Very high146 Ų14638.8 Ų38.868%0.68219%0.193SC*.Hα-helixtrans-63.2-41.7172-58.1177.1177.900110.7N108 L114N108-E110 VanDerWaalsContact C-N 3.34Å; N108-E110 WeakPolarHBondContact OD1-CB 3.3Å; N108-E110 PolarHBondContact OD1-N 2.88Å; E110-L114 WeakPolarHBondContact O-CG 3.46Å; E110-L114 PolarHBondContact O-N 3.41Å
111I96.4Very high96.3Very high13 Ų1342.1 Ų42.17%0.06721%0.213CC..Hα-helixtrans-73.7-37.1175.3-62.2172.3000110.6A70 K98 Q100 N108 F109 E113 L114 I115A70-I111 HydrophobicContact CB-CG2 3.95Å; K98-I111 HydrophobicContact CB-CD1 3.34Å; K98-I111 HydrophobicContact CG-CD1 4.33Å; Q100-I111 HydrophobicContact CB-CB 4.11Å; Q100-I111 HydrophobicContact CB-CG2 3.99Å; N108-I111 HydrophobicContact CB-CD1 4.34Å; N108-I111 VanDerWaalsContact ND2-CD1 3.3Å; N108-I111 WeakPolarHBondContact ND2-CD1 3.3Å; N108-I111 PolarHBondContact O-N 2.79Å; N108-I111 PolarHBondContact OD1-N 2.85Å; N108-I111 VanDerWaalsContact OD1-N 3.13Å; F109-I111 VanDerWaalsContact C-N 3.33Å; F109-I111 PolarHBondContact O-N 3.19Å; I111-E113 VanDerWaalsContact C-N 3.3Å; I111-E113 PolarHBondContact O-N 3.44Å; I111-L114 PolarHBondContact O-N 2.82Å; I111-I115 HydrophobicContact CG2-CG1 4.23Å; I111-I115 VanDerWaalsContact O-CG1 3.23Å; I111-I115 WeakPolarHBondContact O-CG1 3.49Å; I111-I115 PolarHBondContact O-N 3.41Å
112Q98.1Very high96.2Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-59.6-42.4176.2-179.461.431.900111.6N43 Q100 V106 N108 F109 I115 L116 M151 L154N43-Q112 PolarHBondContact ND2-NE2 2.79Å; N43-Q112 PolarHBondContact ND2-OE1 3.43Å; Q100-Q112 HydrophobicContact CB-CB 4.18Å; V106-Q112 HydrophobicContact CG1-CB 4.01Å; V106-Q112 HydrophobicContact CG1-CG 4.16Å; N108-Q112 PolarHBondContact O-N 2.93Å; N108-Q112 VanDerWaalsContact O-N 3.12Å; F109-Q112 HydrophobicContact CD1-CB 4.41Å; F109-Q112 HydrophobicContact CD1-CG 4.48Å; F109-Q112 PolarHBondContact O-N 3.45Å; Q112-I115 PolarHBondContact O-N 2.91Å; Q112-L116 HydrophobicContact CG-CD1 4.36Å; Q112-L116 WeakPolarHBondContact O-CG 3.37Å; Q112-L116 PolarHBondContact O-N 2.85Å; Q112-M151 HydrophobicContact CG-CE 3.73Å; Q112-M151 HydrophobicContact CG-SD 4.13Å; Q112-L154 HydrophobicContact CG-CD2 4.08Å
113E96.8Very high96.1Very high78 Ų7837 Ų3736%0.36419%0.186SC..Hα-helixtrans-57.5-49174.1-174.1176.9-156.600110.7F109 I111 I115 L116 D117 L154 Y159F109-E113 WeakPolarHBondContact O-CB 3.35Å; F109-E113 PolarHBondContact O-N 2.93Å; I111-E113 VanDerWaalsContact C-N 3.3Å; I111-E113 PolarHBondContact O-N 3.44Å; E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.48Å; E113-L116 PolarHBondContact O-N 3.44Å; E113-D117 PolarHBondContact O-N 3.13Å; E113-L154 HydrophobicContact CB-CD1 4.22Å; E113-L154 HydrophobicContact CB-CD2 4.41Å; E113-L154 HydrophobicContact CG-CD1 4.14Å; E113-Y159 WeakPolarHBondContact CG-OH 3.44Å; E113-Y159 PolarHBondContact O-OH 2.95Å
114L96Very high96.1Very high48 Ų4832.7 Ų32.725%0.25117%0.172SC..Hα-helixtrans-60.4-36176.5-61.7168.2000113.1T81 I83 E110 I111 Y118T81-L114 HydrophobicContact CG2-CD1 4.13Å; I83-L114 HydrophobicContact CD1-CB 3.92Å; E110-L114 WeakPolarHBondContact O-CG 3.46Å; E110-L114 PolarHBondContact O-N 3.41Å; I111-L114 PolarHBondContact O-N 2.82Å; L114-Y118 WeakPolarHBondContact O-CB 3.32Å; L114-Y118 PolarHBondContact O-N 2.88Å
115I97.4Very high96Very high1 Ų132.7 Ų32.71%0.00517%0.172CC..Hα-helixtrans-68.3-39175.7-66.8-80.1000110.6T48 F66 I83 I111 Q112 E113 V119T48-I115 HydrophobicContact CG2-CG2 4.49Å; F66-I115 HydrophobicContact CE2-CD1 3.95Å; F66-I115 HydrophobicContact CE2-CG2 4.3Å; F66-I115 HydrophobicContact CZ-CG2 4.24Å; I83-I115 HydrophobicContact CG2-CD1 3.53Å; I111-I115 HydrophobicContact CG2-CG1 4.23Å; I111-I115 VanDerWaalsContact O-CG1 3.23Å; I111-I115 WeakPolarHBondContact O-CG1 3.49Å; I111-I115 PolarHBondContact O-N 3.41Å; Q112-I115 PolarHBondContact O-N 2.91Å; E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.48Å; I115-V119 WeakPolarHBondContact O-CG2 3.42Å; I115-V119 PolarHBondContact O-N 2.76Å
116L97.4Very high95.2Very high1 Ų138.1 Ų38.11%0.00521%0.206CC..Hα-helixtrans-70.6-43.4176.9-70.2178.6000111.8I41 Q112 E113 Y118 V119 F120 M137 L154 L155 Y159I41-L116 HydrophobicContact CD1-CD2 3.84Å; Q112-L116 HydrophobicContact CG-CD1 4.36Å; Q112-L116 WeakPolarHBondContact O-CG 3.37Å; Q112-L116 PolarHBondContact O-N 2.85Å; E113-L116 PolarHBondContact O-N 3.44Å; L116-Y118 VanDerWaalsContact C-N 3.27Å; L116-Y118 PolarHBondContact O-N 2.85Å; L116-V119 PolarHBondContact O-N 3.19Å; L116-V119 VanDerWaalsContact O-N 3.08Å; L116-F120 HydrophobicContact CB-CD2 4.3Å; L116-F120 HydrophobicContact CB-CE2 3.81Å; L116-F120 HydrophobicContact CB-CZ 4.34Å; L116-F120 HydrophobicContact CD2-CZ 4.22Å; L116-F120 WeakPolarHBondContact O-CD2 3.34Å; L116-F120 VanDerWaalsContact O-CG 3.29Å; L116-F120 WeakPolarHBondContact O-CG 3.48Å; L116-F120 PolarHBondContact O-N 3.02Å; L116-M137 HydrophobicContact CD2-CE 3.67Å; L116-L154 HydrophobicContact CD1-CD2 3.87Å; L116-L154 HydrophobicContact CD1-CG 4.37Å; L116-L155 HydrophobicContact CD1-CD2 3.87Å; L116-Y159 HydrophobicContact CB-CE2 4.12Å; L116-Y159 HydrophobicContact CD1-CD2 4.46Å; L116-Y159 HydrophobicContact CD1-CE2 3.83Å
117D95.4Very high94.4Very high64 Ų6439.9 Ų39.934%0.34222%0.219SC..Hα-helixtrans-56.1-44.6173.3-71.5-14.2000111E113 F120 T121 Y159E113-D117 PolarHBondContact O-N 3.13Å; D117-F120 PolarHBondContact O-N 3.38Å; D117-T121 WeakPolarHBondContact O-CB 3.43Å; D117-T121 PolarHBondContact O-N 3.26Å; D117-T121 PolarHBondContact O-OG1 2.89Å; D117-Y159 VanDerWaalsContact OD1-CE1 3.29Å; D117-Y159 WeakPolarHBondContact OD1-CE1 3.39Å; D117-Y159 PolarHBondContact OD1-OH 2.97Å
118Y95.6Very high93.5Very high12 Ų1245.3 Ų45.35%0.04724%0.239CC..Hα-helixtrans-59.3-49.4173.5-176.2-93.5000111.4D22 F66 I83 D86 L114 L116 F120 H122D22-Y118 VanDerWaalsContact CB-OH 3.28Å; D22-Y118 WeakPolarHBondContact CB-OH 3.39Å; D22-Y118 VanDerWaalsContact CG-OH 3.24Å; D22-Y118 WeakPolarHBondContact OD2-CE1 3.45Å; D22-Y118 PolarHBondContact OD2-OH 3.25Å; F66-Y118 HydrophobicContact CD1-CD1 4.15Å; F66-Y118 AromaticContact CD1-CE1 3.64Å; F66-Y118 HydrophobicContact CD1-CE1 3.64Å; F66-Y118 HydrophobicContact CD2-CD1 4.46Å; F66-Y118 HydrophobicContact CD2-CE1 4.22Å; F66-Y118 AromaticContact CE1-CD1 3.66Å; F66-Y118 HydrophobicContact CE1-CD1 3.66Å; F66-Y118 AromaticContact CE1-CE1 3.64Å; F66-Y118 HydrophobicContact CE1-CE1 3.64Å; F66-Y118 HydrophobicContact CE2-CD1 4Å; F66-Y118 HydrophobicContact CE2-CE1 4.21Å; F66-Y118 AromaticContact CG-CE1 3.94Å; F66-Y118 HydrophobicContact CG-CE1 3.94Å; F66-Y118 AromaticContact CZ-CD1 3.57Å; F66-Y118 HydrophobicContact CZ-CD1 3.57Å; F66-Y118 AromaticContact CZ-CE1 3.93Å; F66-Y118 HydrophobicContact CZ-CE1 3.93Å; I83-Y118 HydrophobicContact CB-CD2 3.75Å; I83-Y118 HydrophobicContact CB-CE2 4.23Å; I83-Y118 HydrophobicContact CB-CG 4Å; I83-Y118 HydrophobicContact CG1-CD2 4.39Å; I83-Y118 HydrophobicContact CG2-CD1 4.17Å; I83-Y118 HydrophobicContact CG2-CD2 4.08Å; I83-Y118 HydrophobicContact CG2-CG 3.8Å; D86-Y118 WeakPolarHBondContact OD2-CE2 3.38Å; L114-Y118 WeakPolarHBondContact O-CB 3.32Å; L114-Y118 PolarHBondContact O-N 2.88Å; L116-Y118 VanDerWaalsContact C-N 3.27Å; L116-Y118 PolarHBondContact O-N 2.85Å; Y118-F120 PolarHBondContact O-N 3.45Å; Y118-H122 AromaticContact CD2-CD2 3.58Å; Y118-H122 AromaticContact CD2-NE2 3.49Å; Y118-H122 WeakPolarHBondContact CD2-NE2 3.2Å; Y118-H122 AromaticContact CE2-CD2 3.59Å; Y118-H122 AromaticContact CE2-CE1 3.72Å; Y118-H122 AromaticContact CE2-NE2 3.17Å; Y118-H122 WeakPolarHBondContact CE2-NE2 3.38Å; Y118-H122 AromaticContact CG-CD2 3.94Å; Y118-H122 AromaticContact CZ-CD2 3.95Å; Y118-H122 AromaticContact CZ-CE1 3.94Å; Y118-H122 AromaticContact CZ-NE2 3.76Å; Y118-H122 VanDerWaalsContact O-CB 3.32Å; Y118-H122 WeakPolarHBondContact O-CB 3.42Å; Y118-H122 PolarHBondContact O-CD2 3Å; Y118-H122 PolarHBondContact O-N 2.95Å
119V97.2Very high92.7Very high0 Ų044.8 Ų44.80%025%0.247CC..Hα-helixtrans-58.9-50.1178.2167.20000111.7I41 T48 A50 L64 F66 I115 L116 L123I41-V119 HydrophobicContact CD1-CG1 4.1Å; I41-V119 HydrophobicContact CG1-CG1 4.39Å; T48-V119 HydrophobicContact CG2-CG2 4.36Å; A50-V119 HydrophobicContact CB-CB 4.42Å; A50-V119 HydrophobicContact CB-CG1 3.52Å; A50-V119 HydrophobicContact CB-CG2 3.98Å; L64-V119 HydrophobicContact CD1-CB 4.44Å; L64-V119 HydrophobicContact CD1-CG1 4.42Å; L64-V119 HydrophobicContact CD1-CG2 4.44Å; F66-V119 HydrophobicContact CE1-CG2 3.94Å; F66-V119 HydrophobicContact CZ-CG2 3.8Å; I115-V119 WeakPolarHBondContact O-CG2 3.42Å; I115-V119 PolarHBondContact O-N 2.76Å; L116-V119 PolarHBondContact O-N 3.19Å; L116-V119 VanDerWaalsContact O-N 3.08Å; V119-L123 HydrophobicContact CG1-CD1 3.79Å; V119-L123 HydrophobicContact CG1-CG 4.42Å; V119-L123 WeakPolarHBondContact O-CB 3.33Å; V119-L123 WeakPolarHBondContact O-CG 3.35Å; V119-L123 PolarHBondContact O-N 3.04Å
120F96.1Very high92.4Very high8 Ų844.7 Ų44.74%0.03525%0.25CS..Hα-helixtrans-68.2-44.1-175.4-60.8-37.7000112I39 I41 L116 D117 Y118 H122 L123 G124 L125 V131 I135 Y159I39-F120 HydrophobicContact CD1-CD1 4.35Å; I39-F120 HydrophobicContact CD1-CE1 4.36Å; I41-F120 HydrophobicContact CD1-CE1 4.14Å; I41-F120 HydrophobicContact CD1-CZ 4.48Å; L116-F120 HydrophobicContact CB-CD2 4.3Å; L116-F120 HydrophobicContact CB-CE2 3.81Å; L116-F120 HydrophobicContact CB-CZ 4.34Å; L116-F120 HydrophobicContact CD2-CZ 4.22Å; L116-F120 WeakPolarHBondContact O-CD2 3.34Å; L116-F120 VanDerWaalsContact O-CG 3.29Å; L116-F120 WeakPolarHBondContact O-CG 3.48Å; L116-F120 PolarHBondContact O-N 3.02Å; D117-F120 PolarHBondContact O-N 3.38Å; Y118-F120 PolarHBondContact O-N 3.45Å; F120-H122 PolarHBondContact O-N 3.1Å; F120-L123 PolarHBondContact O-N 3.34Å; F120-G124 PolarHBondContact O-N 3.38Å; F120-L125 HydrophobicContact CB-CB 4.3Å; F120-L125 HydrophobicContact CB-CD1 3.84Å; F120-L125 HydrophobicContact CD1-CD1 3.74Å; F120-L125 HydrophobicContact CG-CD1 4.05Å; F120-L125 WeakPolarHBondContact O-CB 3.39Å; F120-L125 PolarHBondContact O-N 2.83Å; F120-V131 HydrophobicContact CD1-CG2 4.22Å; F120-V131 HydrophobicContact CD2-CG2 3.81Å; F120-V131 HydrophobicContact CE1-CG1 4.38Å; F120-V131 HydrophobicContact CE1-CG2 4.33Å; F120-V131 HydrophobicContact CE2-CG2 3.92Å; F120-V131 HydrophobicContact CG-CG2 3.97Å; F120-V131 HydrophobicContact CZ-CG2 4.2Å; F120-I135 HydrophobicContact CE1-CD1 3.78Å; F120-I135 HydrophobicContact CZ-CD1 3.51Å; F120-Y159 AromaticContact CD2-CD1 3.83Å; F120-Y159 HydrophobicContact CD2-CD1 3.83Å; F120-Y159 AromaticContact CD2-CE1 3.69Å; F120-Y159 HydrophobicContact CD2-CE1 3.69Å; F120-Y159 AromaticContact CE2-CD1 3.59Å; F120-Y159 HydrophobicContact CE2-CD1 3.59Å; F120-Y159 HydrophobicContact CE2-CD2 4.17Å; F120-Y159 AromaticContact CE2-CE1 3.65Å; F120-Y159 HydrophobicContact CE2-CE1 3.65Å; F120-Y159 HydrophobicContact CE2-CE2 4.2Å; F120-Y159 AromaticContact CE2-CG 3.86Å; F120-Y159 HydrophobicContact CE2-CG 3.86Å; F120-Y159 AromaticContact CE2-CZ 3.96Å
121T94.1Very high92.3Very high70 Ų7038 Ų3843%0.42922%0.219SC..Hα-helixtrans-59.5-49.3176.6-57.70000110.4I24 D117 L123 G124I24-T121 HydrophobicContact CD1-CG2 4.43Å; D117-T121 WeakPolarHBondContact O-CB 3.43Å; D117-T121 PolarHBondContact O-N 3.26Å; D117-T121 PolarHBondContact O-OG1 2.89Å; T121-L123 VanDerWaalsContact C-N 3.32Å; T121-L123 PolarHBondContact O-N 3.11Å; T121-G124 PolarHBondContact O-N 3.32Å
122H94.7Very high92.1Very high16 Ų1643.4 Ų43.47%0.07424%0.244CC..Hα-helixtrans-71.5-25.7-177.7-76.7-101.9000113.1D22 P23 F25 L64 Y118 F120 G124D22-H122 PolarHBondContact O-CE1 3.2Å; D22-H122 PolarHBondContact O-ND1 2.9Å; P23-H122 PolarHBondContact O-ND1 3.41Å; F25-H122 WeakPolarHBondContact CD2-O 3.46Å; F25-H122 PolarHBondContact N-O 3.44Å; L64-H122 HydrophobicContact CD1-CB 3.73Å; L64-H122 HydrophobicContact CD2-CB 3.78Å; L64-H122 HydrophobicContact CG-CB 4.41Å; Y118-H122 AromaticContact CD2-CD2 3.58Å; Y118-H122 AromaticContact CD2-NE2 3.49Å; Y118-H122 WeakPolarHBondContact CD2-NE2 3.2Å; Y118-H122 AromaticContact CE2-CD2 3.59Å; Y118-H122 AromaticContact CE2-CE1 3.72Å; Y118-H122 AromaticContact CE2-NE2 3.17Å; Y118-H122 WeakPolarHBondContact CE2-NE2 3.38Å; Y118-H122 AromaticContact CG-CD2 3.94Å; Y118-H122 AromaticContact CZ-CD2 3.95Å; Y118-H122 AromaticContact CZ-CE1 3.94Å; Y118-H122 AromaticContact CZ-NE2 3.76Å; Y118-H122 VanDerWaalsContact O-CB 3.32Å; Y118-H122 WeakPolarHBondContact O-CB 3.42Å; Y118-H122 PolarHBondContact O-CD2 3Å; Y118-H122 PolarHBondContact O-N 2.95Å; F120-H122 PolarHBondContact O-N 3.1Å; H122-G124 PolarHBondContact O-N 2.89Å
123L94.5Very high92Very high0 Ų043.5 Ų43.50%025%0.245CC..THydrogen-bonded Turntrans-74.4-6.4171-72.1177.2000114I39 W52 R63 L64 V119 F120 T121I39-L123 HydrophobicContact CG2-CD1 3.69Å; W52-L123 HydrophobicContact CZ2-CB 4.2Å; R63-L123 HydrophobicContact CB-CD2 3.9Å; R63-L123 HydrophobicContact CG-CD2 4.48Å; L64-L123 HydrophobicContact CD1-CD2 4.24Å; L64-L123 HydrophobicContact CD1-CG 4.01Å; L64-L123 HydrophobicContact CG-CD2 4.31Å; V119-L123 HydrophobicContact CG1-CD1 3.79Å; V119-L123 HydrophobicContact CG1-CG 4.42Å; V119-L123 WeakPolarHBondContact O-CB 3.33Å; V119-L123 WeakPolarHBondContact O-CG 3.35Å; V119-L123 PolarHBondContact O-N 3.04Å; F120-L123 PolarHBondContact O-N 3.34Å; T121-L123 VanDerWaalsContact C-N 3.32Å; T121-L123 PolarHBondContact O-N 3.11Å
124G92Very high92Very high9 Ų940.1 Ų40.19%0.09323%0.229CC..THydrogen-bonded Turntrans93.815.5176.400000114.9F25 F120 T121 H122 T126F25-G124 WeakPolarHBondContact O-CA 3.46Å; F25-G124 PolarHBondContact O-N 3.3Å; F120-G124 PolarHBondContact O-N 3.38Å; T121-G124 PolarHBondContact O-N 3.32Å; H122-G124 PolarHBondContact O-N 2.89Å; G124-T126 PolarHBondContact O-N 3.05Å
125L91.1Very high92.1Very high19 Ų1937.8 Ų37.810%0.09922%0.217CC..  trans-79.6114.5175.9-63.6171.6000109.6L27 I39 W52 F120 V131L27-L125 HydrophobicContact CD1-CD2 4.13Å; L27-L125 HydrophobicContact CD2-CD2 4.31Å; I39-L125 HydrophobicContact CD1-CD1 3.71Å; W52-L125 HydrophobicContact CH2-CD2 4.19Å; F120-L125 HydrophobicContact CB-CB 4.3Å; F120-L125 HydrophobicContact CB-CD1 3.84Å; F120-L125 HydrophobicContact CD1-CD1 3.74Å; F120-L125 HydrophobicContact CG-CD1 4.05Å; F120-L125 WeakPolarHBondContact O-CB 3.39Å; F120-L125 PolarHBondContact O-N 2.83Å; L125-V131 HydrophobicContact CD1-CG1 3.78Å; L125-V131 HydrophobicContact CD1-CG2 4.21Å
126T81Confident92.2Very high135 Ų13537.8 Ų37.883%0.82822%0.217SC*.  trans-101.8-2.4-177.457.40000113.6G124 E128G124-T126 PolarHBondContact O-N 3.05Å; T126-E128 PolarHBondContact O-N 2.92Å
127S80.4Confident92.2Very high51 Ų5137.8 Ų37.836%0.35722%0.217SC..  trans-74.3115-18041.70000110.6G129 S130S127-G129 PolarHBondContact O-N 2.97Å; S127-S130 VanDerWaalsContact CB-O 3.24Å; S127-S130 WeakPolarHBondContact CB-O 3.33Å; S127-S130 PolarHBondContact OG-O 3Å
128E79.1Confident92.4Very high192 Ų19235 Ų3590%0.89720%0.203SC*.THydrogen-bonded Turntrans-67.4124176.7-68.3-174.8174.800110.9T126 S130T126-E128 PolarHBondContact O-N 2.92Å; E128-S130 PolarHBondContact O-N 2.65Å; E128-S130 VanDerWaalsContact O-N 3.17Å
129G79.3Confident92.5Very high45 Ų4535.4 Ų35.446%0.46421%0.205SC..THydrogen-bonded Turntrans65.317.3173.100000115.4S127S127-G129 PolarHBondContact O-N 2.97Å
130S91.2Very high92.4Very high31 Ų3135.9 Ų35.922%0.21721%0.209CC..  trans-149.5132.3176.5-170.70000110.5S127 E128 Y159S127-S130 VanDerWaalsContact CB-O 3.24Å; S127-S130 WeakPolarHBondContact CB-O 3.33Å; S127-S130 PolarHBondContact OG-O 3Å; E128-S130 PolarHBondContact O-N 2.65Å; E128-S130 VanDerWaalsContact O-N 3.17Å; S130-Y159 CarbonylContact C-O 3.59Å; S130-Y159 VanDerWaalsContact CA-O 3.25Å; S130-Y159 WeakPolarHBondContact CA-O 3.44Å
131V94.7Very high92.4Very high4 Ų436.4 Ų36.42%0.02421%0.213CC..  trans-117.7106.3172.3175.20000107.8I39 F120 L125 H133 I135 Y159 V161 P162I39-V131 HydrophobicContact CD1-CG1 4.04Å; F120-V131 HydrophobicContact CD1-CG2 4.22Å; F120-V131 HydrophobicContact CD2-CG2 3.81Å; F120-V131 HydrophobicContact CE1-CG1 4.38Å; F120-V131 HydrophobicContact CE1-CG2 4.33Å; F120-V131 HydrophobicContact CE2-CG2 3.92Å; F120-V131 HydrophobicContact CG-CG2 3.97Å; F120-V131 HydrophobicContact CZ-CG2 4.2Å; L125-V131 HydrophobicContact CD1-CG1 3.78Å; L125-V131 HydrophobicContact CD1-CG2 4.21Å; V131-H133 HydrophobicContact CG1-CB 4.21Å; V131-H133 PolarHBondContact O-N 3.4Å; V131-I135 HydrophobicContact CG1-CD1 4.49Å; V131-Y159 HydrophobicContact CG2-CD1 4.2Å; V131-Y159 PolarHBondContact N-O 2.79Å; V131-V161 HydrophobicContact CB-CG1 3.87Å; V131-V161 HydrophobicContact CG1-CG1 4.35Å; V131-P162 WeakPolarHBondContact O-CD 3.36Å
132E92.9Very high92.3Very high128 Ų12838.7 Ų38.760%0.59823%0.231SC*.  trans-77.315.7-174.6-58.7-169.2160.500114A36A36-E132 VanDerWaalsContact CB-O 3.23Å; A36-E132 WeakPolarHBondContact CB-O 3.19Å
133H95.4Very high92.3Very high1 Ų139 Ų391%0.00523%0.233CC..SBendtrans-116.4141.1-176.2-66.8-92.3000111.4C31 M32 A37 I39 W52 V131 P162C31-H133 PolarHBondContact O-CE1 2.84Å; C31-H133 VanDerWaalsContact O-CE1 3.27Å; M32-H133 VanDerWaalsContact CE-NE2 3.27Å; M32-H133 WeakPolarHBondContact CE-NE2 3.46Å; A37-H133 PolarHBondContact O-ND1 3.42Å; I39-H133 HydrophobicContact CD1-CB 3.79Å; I39-H133 HydrophobicContact CG1-CB 3.97Å; W52-H133 AromaticContact CH2-CD2 3.96Å; W52-H133 AromaticContact CH2-CE1 3.72Å; W52-H133 AromaticContact CH2-ND1 3.88Å; W52-H133 AromaticContact CH2-NE2 3.76Å; W52-H133 HydrophobicContact CZ3-CB 4.29Å; W52-H133 AromaticContact CZ3-CE1 3.57Å; W52-H133 AromaticContact CZ3-CG 3.69Å; W52-H133 AromaticContact CZ3-ND1 3.34Å; W52-H133 VanDerWaalsContact CZ3-ND1 3.34Å; W52-H133 WeakPolarHBondContact CZ3-ND1 3.36Å; V131-H133 HydrophobicContact CG1-CB 4.21Å; V131-H133 PolarHBondContact O-N 3.4Å; H133-P162 WeakPolarHBondContact O-CD 3.48Å
134P97.2Very high92.3Very high7 Ų741.9 Ų41.95%0.04525%0.252CS..  trans-56.7143.6168.2-21.932.8000111.1P38 I39 F163 A537 W544P38-P134 CarbonylContact C-O 3.6Å; P38-P134 VanDerWaalsContact CA-O 3.27Å; P38-P134 WeakPolarHBondContact CA-O 3.39Å; P38-P134 HydrophobicContact CB-CB 4.07Å; P38-P134 HydrophobicContact CG-CB 4.22Å; P38-P134 HydrophobicContact CG-CG 4.37Å; I39-P134 PolarHBondContact N-O 3.28Å; P134-F163 CarbonylContact C-O 3.51Å; P134-F163 WeakPolarHBondContact CA-O 3.25Å; P134-F163 HydrophobicContact CB-CB 4.12Å; P134-F163 HydrophobicContact CG-CD2 4.32Å; P134-A537 HydrophobicContact CB-CB 3.7Å; P134-A537 HydrophobicContact CG-CB 3.5Å; P134-W544 HydrophobicContact CB-CE3 4.41Å; P134-W544 HydrophobicContact CB-CH2 3.89Å; P134-W544 HydrophobicContact CB-CZ3 3.71Å
135I98.3Very high92.3Very high0 Ų043 Ų430%026%0.255CS..EExtended strand (participates in β ladder)trans-115.8123.4176.3-64.7-179.3000109.8I39 I41 F120 V131 M137 L155 V161 F163 V164 S165 W544I39-I135 WeakPolarHBondContact O-CA 3.38Å; I41-I135 HydrophobicContact CD1-CG2 4.18Å; F120-I135 HydrophobicContact CE1-CD1 3.78Å; F120-I135 HydrophobicContact CZ-CD1 3.51Å; V131-I135 HydrophobicContact CG1-CD1 4.49Å; I135-M137 HydrophobicContact CG2-CB 4.33Å; I135-M137 HydrophobicContact CG2-CE 4.45Å; I135-L155 HydrophobicContact CD1-CD2 3.9Å; I135-V161 HydrophobicContact CD1-CB 4.33Å; I135-V161 HydrophobicContact CD1-CG1 3.49Å; I135-V161 VanDerWaalsContact CD1-CG1 3.49Å; I135-V161 HydrophobicContact CG1-CG1 4.23Å; I135-F163 PolarHBondContact N-O 3.44Å; I135-V164 CarbonylContact O-C 3.54Å; I135-V164 VanDerWaalsContact O-CA 3.27Å; I135-V164 WeakPolarHBondContact O-CA 3.34Å; I135-S165 PolarHBondContact O-N 3.48Å; I135-W544 WeakPolarHBondContact O-CZ3 3.48Å
136L98.5Very high92.4Very high0 Ų047.7 Ų47.70%028%0.276CS..EExtended strand (participates in β ladder)trans-103.3119.4164.3-170.4169000108.4I39 V40 I41 S165 Y172 A528 W531 A532 W544I39-L136 PolarHBondContact O-N 2.89Å; V40-L136 WeakPolarHBondContact CA-O 3.36Å; I41-L136 PolarHBondContact N-O 2.84Å; L136-S165 CarbonylContact C-O 3.57Å; L136-S165 WeakPolarHBondContact CA-O 3.38Å; L136-Y172 HydrophobicContact CD2-CE2 3.9Å; L136-Y172 WeakPolarHBondContact CD2-OH 3.38Å; L136-A528 HydrophobicContact CD1-CB 4.26Å; L136-A528 VanDerWaalsContact CD1-O 3.28Å; L136-A528 WeakPolarHBondContact CD1-O 3.26Å; L136-A528 HydrophobicContact CD2-CB 3.62Å; L136-W531 HydrophobicContact CD1-CD2 4.45Å; L136-W531 HydrophobicContact CD1-CE3 3.41Å; L136-W531 VanDerWaalsContact CD1-CE3 3.41Å; L136-W531 HydrophobicContact CD1-CZ3 3.84Å; L136-A532 HydrophobicContact CD1-CB 3.86Å; L136-W544 HydrophobicContact CB-CH2 4.09Å
137M98.5Very high93.1Very high2 Ų242 Ų421%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-120.4137.9-178.8-170.3173.9-73.600112.1I41 N43 L116 I135 M151 S165 Y166 G167I41-M137 HydrophobicContact CB-CE 4.25Å; I41-M137 HydrophobicContact CB-CG 4.43Å; I41-M137 HydrophobicContact CD1-CE 3.95Å; I41-M137 HydrophobicContact CG2-CE 4.2Å; I41-M137 VanDerWaalsContact O-CA 3.32Å; I41-M137 WeakPolarHBondContact O-CA 3.29Å; N43-M137 HydrophobicContact CB-CG 4.04Å; N43-M137 HydrophobicContact CB-SD 4.33Å; L116-M137 HydrophobicContact CD2-CE 3.67Å; I135-M137 HydrophobicContact CG2-CB 4.33Å; I135-M137 HydrophobicContact CG2-CE 4.45Å; M137-M151 HydrophobicContact CE-SD 4.31Å; M137-M151 HydrophobicContact SD-CE 3.88Å; M137-M151 HydrophobicContact SD-CG 4.18Å; M137-M151 HydrophobicContact SD-SD 3.78Å; M137-S165 PolarHBondContact N-O 3.09Å; M137-Y166 HydrophobicContact CB-CD1 4.29Å; M137-Y166 HydrophobicContact CB-CE1 4.45Å; M137-Y166 WeakPolarHBondContact O-CA 3.45Å; M137-G167 PolarHBondContact O-N 3.09Å; M137-G167 VanDerWaalsContact O-N 3.14Å
138T98.4Very high93.8Very high6 Ų640 Ų404%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-78144.4170.7640000111.6I41 D42 N43 G167 D169 Y172I41-T138 PolarHBondContact O-N 2.84Å; D42-T138 VanDerWaalsContact CA-OG1 3.27Å; D42-T138 WeakPolarHBondContact CA-OG1 3.34Å; D42-T138 HydrophobicContact CB-CG2 4.23Å; D42-T138 PolarHBondContact OD1-OG1 3.5Å; N43-T138 PolarHBondContact N-OG1 2.83Å; T138-G167 CarbonylContact C-O 3.53Å; T138-G167 WeakPolarHBondContact CA-O 3.37Å; T138-D169 HydrophobicContact CG2-CB 4.31Å; T138-Y172 HydrophobicContact CG2-CD2 4.03Å; T138-Y172 HydrophobicContact CG2-CE2 4.16Å
139E97.2Very high94.6Very high19 Ų1934.2 Ų34.29%0.08920%0.2CC..EExtended strand (participates in β ladder)trans-134.216517563.1168.3-163.600111.6N143 R148 G167 N565E139-N143 HydrophobicContact CB-CB 4.38Å; E139-N143 HydrophobicContact CG-CB 4.43Å; E139-N143 PolarHBondContact OE2-ND2 2.8Å; E139-R148 IonicContact OE1-CZ 3.57Å; E139-R148 IonicContact OE1-NE 2.84Å; E139-R148 PolarHBondContact OE1-NE 2.86Å; E139-R148 IonicContact OE1-NH2 3.77Å; E139-R148 PolarHBondContact OE1-NH2 2.71Å; E139-R148 IonicContact OE2-CZ 3.82Å; E139-R148 IonicContact OE2-NE 3.75Å; E139-R148 PolarHBondContact OE2-NE 2.84Å; E139-R148 IonicContact OE2-NH2 3.01Å; E139-R148 PolarHBondContact OE2-NH2 2.82Å; E139-G167 PolarHBondContact N-O 2.9Å; E139-N565 PolarHBondContact OE1-ND2 3.4Å
140A95.9Very high95.4Very high11 Ų1134.9 Ų34.99%0.09119%0.191CC..  trans-66.3149.117700000112.4N104 C142 N143 N565N104-A140 VanDerWaalsContact ND2-CB 3.35Å; N104-A140 WeakPolarHBondContact ND2-CB 3.44Å; A140-C142 PolarHBondContact O-N 3.16Å; A140-N143 WeakPolarHBondContact O-CB 3.3Å; A140-N143 PolarHBondContact O-N 3.22Å; A140-N143 VanDerWaalsContact O-N 3.17Å; A140-N565 PolarHBondContact O-ND2 2.96Å
141P95.1Very high95.8Very high19 Ų1934 Ų3412%0.12318%0.184CC..THydrogen-bonded Turntrans-55.7134.3164-2130.9000110.7N143 V168 L201P141-N143 VanDerWaalsContact C-N 3.25Å; P141-N143 PolarHBondContact O-N 2.88Å; P141-V168 HydrophobicContact CG-CG1 3.71Å; P141-L201 HydrophobicContact CB-CD2 4.14Å; P141-L201 HydrophobicContact CG-CD1 4.23Å; P141-L201 HydrophobicContact CG-CD2 4.22Å
142C93.1Very high95.9Very high117 Ų11733.9 Ų33.979%0.79118%0.183SC*.THydrogen-bonded Turntrans54.440.5-176.4-166.50000112.8A140 N565A140-C142 PolarHBondContact O-N 3.16Å; C142-N565 PolarHBondContact N-OD1 2.73Å
143N94.7Very high96.1Very high23 Ų2331.9 Ų31.912%0.12317%0.174CC..  trans-53.6129.2176.9-17228.3000110.6E139 A140 P141 L145E139-N143 HydrophobicContact CB-CB 4.38Å; E139-N143 HydrophobicContact CG-CB 4.43Å; E139-N143 PolarHBondContact OE2-ND2 2.8Å; A140-N143 WeakPolarHBondContact O-CB 3.3Å; A140-N143 PolarHBondContact O-N 3.22Å; A140-N143 VanDerWaalsContact O-N 3.17Å; P141-N143 VanDerWaalsContact C-N 3.25Å; P141-N143 PolarHBondContact O-N 2.88Å; N143-L145 PolarHBondContact O-N 2.64Å
144P93.8Very high96.2Very high61 Ų6132.6 Ų32.640%0.39618%0.178SC..  trans-55.1136177.5-27.936.4000111.9V105 H146 C147 R148V105-P144 HydrophobicContact CG1-CG 4.06Å; P144-H146 VanDerWaalsContact C-N 3.25Å; P144-H146 PolarHBondContact O-N 3.02Å; P144-C147 HydrophobicContact CB-CB 4.32Å; P144-C147 WeakPolarHBondContact O-CB 3.48Å; P144-C147 PolarHBondContact O-N 2.89Å; P144-R148 PolarHBondContact O-N 3Å; P144-R148 VanDerWaalsContact O-N 3.11Å
145L92.4Very high96.2Very high31 Ų3132.3 Ų32.316%0.16218%0.176CC..Hα-helixtrans-58.9-39.5-176-173.658.9000112.2N143 C147 R148 Q149 E556 M570N143-L145 PolarHBondContact O-N 2.64Å; L145-C147 PolarHBondContact O-N 3.02Å; L145-R148 PolarHBondContact O-N 2.9Å; L145-Q149 WeakPolarHBondContact O-CB 3.22Å; L145-Q149 PolarHBondContact O-N 3.02Å; L145-E556 HydrophobicContact CD1-CB 3.86Å; L145-E556 WeakPolarHBondContact CD1-O 3.43Å; L145-E556 HydrophobicContact CD2-CB 4.02Å; L145-E556 HydrophobicContact CG-CB 4.07Å; L145-M570 HydrophobicContact CD2-CB 4.1Å; L145-M570 HydrophobicContact CD2-CE 3.85Å
146H93.3Very high96.2Very high118 Ų11832.3 Ų32.355%0.54618%0.176SC..Hα-helixtrans-61.7-41.8176.5-178.456.4000112.4P144 R148 Q149 M150P144-H146 VanDerWaalsContact C-N 3.25Å; P144-H146 PolarHBondContact O-N 3.02Å; H146-R148 VanDerWaalsContact C-N 3.34Å; H146-R148 PolarHBondContact O-N 3.06Å; H146-Q149 WeakPolarHBondContact O-CB 3.27Å; H146-Q149 PolarHBondContact O-N 3.14Å; H146-M150 VanDerWaalsContact O-CG 3.32Å; H146-M150 WeakPolarHBondContact O-CG 3.38Å; H146-M150 PolarHBondContact O-N 3.08Å
147C95.5Very high96.1Very high15 Ų1536.9 Ų36.910%0.10120%0.197CC..Hα-helixtrans-63.5-40.3176-640000111.5V105 V106 F109 P144 L145 M151V105-C147 HydrophobicContact CG1-CB 4.14Å; V105-C147 WeakPolarHBondContact CG1-SG 3.35Å; V106-C147 PolarHBondContact O-SG 3.47Å; F109-C147 VanDerWaalsContact CZ-O 3.29Å; F109-C147 WeakPolarHBondContact CZ-O 3.47Å; P144-C147 HydrophobicContact CB-CB 4.32Å; P144-C147 WeakPolarHBondContact O-CB 3.48Å; P144-C147 PolarHBondContact O-N 2.89Å; L145-C147 PolarHBondContact O-N 3.02Å; C147-M151 WeakPolarHBondContact O-CB 3.33Å; C147-M151 PolarHBondContact O-N 3.29Å
148R95.4Very high96Very high11 Ų1139.8 Ų39.84%0.04222%0.217CC..Hα-helixtrans-65.5-41.7174.4-169.8-178.6-59113.21.4111.9E139 P144 L145 H146 M151 S152 Y166E139-R148 IonicContact OE1-CZ 3.57Å; E139-R148 IonicContact OE1-NE 2.84Å; E139-R148 PolarHBondContact OE1-NE 2.86Å; E139-R148 IonicContact OE1-NH2 3.77Å; E139-R148 PolarHBondContact OE1-NH2 2.71Å; E139-R148 IonicContact OE2-CZ 3.82Å; E139-R148 IonicContact OE2-NE 3.75Å; E139-R148 PolarHBondContact OE2-NE 2.84Å; E139-R148 IonicContact OE2-NH2 3.01Å; E139-R148 PolarHBondContact OE2-NH2 2.82Å; P144-R148 PolarHBondContact O-N 3Å; P144-R148 VanDerWaalsContact O-N 3.11Å; L145-R148 PolarHBondContact O-N 2.9Å; H146-R148 VanDerWaalsContact C-N 3.34Å; H146-R148 PolarHBondContact O-N 3.06Å; R148-M151 WeakPolarHBondContact O-CB 3.48Å; R148-M151 PolarHBondContact O-N 3.32Å; R148-S152 PolarHBondContact O-N 3.36Å; R148-S152 PolarHBondContact O-OG 3.15Å; R148-Y166 HydrophobicContact CG-CD2 4.2Å; R148-Y166 HydrophobicContact CG-CE2 3.96Å
149Q95.4Very high95.9Very high70 Ų7040.2 Ų40.233%0.32722%0.218SC..Hα-helixtrans-58.5-49.8176.7-178.8-176.88.700111.2L145 H146 M151 S152 E153 G555L145-Q149 WeakPolarHBondContact O-CB 3.22Å; L145-Q149 PolarHBondContact O-N 3.02Å; H146-Q149 WeakPolarHBondContact O-CB 3.27Å; H146-Q149 PolarHBondContact O-N 3.14Å; Q149-M151 VanDerWaalsContact C-N 3.29Å; Q149-M151 PolarHBondContact O-N 2.82Å; Q149-S152 PolarHBondContact O-N 2.6Å; Q149-E153 WeakPolarHBondContact O-CB 3.22Å; Q149-E153 PolarHBondContact O-N 3.34Å; Q149-G555 WeakPolarHBondContact CA-O 3.32Å
150M97.4Very high95.9Very high58 Ų5846.2 Ų46.229%0.28624%0.24SC..Hα-helixtrans-60.9-37.3176.7-68-61.9-56.200112.1F109 H146 L154F109-M150 HydrophobicContact CD1-CB 4.09Å; F109-M150 HydrophobicContact CD2-CB 3.91Å; F109-M150 HydrophobicContact CD2-CG 4.44Å; F109-M150 HydrophobicContact CE1-CB 3.72Å; F109-M150 HydrophobicContact CE2-CB 3.52Å; F109-M150 HydrophobicContact CE2-CG 4.14Å; F109-M150 HydrophobicContact CG-CB 4.2Å; F109-M150 HydrophobicContact CZ-CB 3.43Å; F109-M150 VanDerWaalsContact CZ-CB 3.43Å; F109-M150 HydrophobicContact CZ-CG 4.47Å; H146-M150 VanDerWaalsContact O-CG 3.32Å; H146-M150 WeakPolarHBondContact O-CG 3.38Å; H146-M150 PolarHBondContact O-N 3.08Å; M150-L154 WeakPolarHBondContact O-CB 3.48Å; M150-L154 PolarHBondContact O-N 3.01Å
151M97.9Very high95.9Very high12 Ų1245.7 Ų45.76%0.05924%0.235CC..Hα-helixtrans-66.2-45.3174.7-173.265.67300111.9V106 F109 Q112 M137 C147 R148 Q149 L154 L155 Y166V106-M151 HydrophobicContact CB-CE 4.41Å; V106-M151 HydrophobicContact CG1-CE 4.26Å; V106-M151 HydrophobicContact CG2-CE 4.23Å; F109-M151 HydrophobicContact CE1-CB 3.98Å; F109-M151 HydrophobicContact CE1-CE 4Å; F109-M151 HydrophobicContact CE1-SD 4.38Å; Q112-M151 HydrophobicContact CG-CE 3.73Å; Q112-M151 HydrophobicContact CG-SD 4.13Å; M137-M151 HydrophobicContact CE-SD 4.31Å; M137-M151 HydrophobicContact SD-CE 3.88Å; M137-M151 HydrophobicContact SD-CG 4.18Å; M137-M151 HydrophobicContact SD-SD 3.78Å; C147-M151 WeakPolarHBondContact O-CB 3.33Å; C147-M151 PolarHBondContact O-N 3.29Å; R148-M151 WeakPolarHBondContact O-CB 3.48Å; R148-M151 PolarHBondContact O-N 3.32Å; Q149-M151 VanDerWaalsContact C-N 3.29Å; Q149-M151 PolarHBondContact O-N 2.82Å; M151-L154 PolarHBondContact O-N 3.41Å; M151-L155 HydrophobicContact CG-CD1 4.08Å; M151-L155 WeakPolarHBondContact O-CB 3.37Å; M151-L155 VanDerWaalsContact O-CG 3.31Å; M151-L155 WeakPolarHBondContact O-CG 3.39Å; M151-L155 PolarHBondContact O-N 3.47Å; M151-L155 HydrophobicContact SD-CD1 4.44Å; M151-Y166 HydrophobicContact CG-CE1 3.91Å
152S97.4Very high96Very high2 Ų246.8 Ų46.81%0.01424%0.242CC..Hα-helixtrans-63.7-42177.2-65.60000111.4R148 Q149 L155 F156 Y166R148-S152 PolarHBondContact O-N 3.36Å; R148-S152 PolarHBondContact O-OG 3.15Å; Q149-S152 PolarHBondContact O-N 2.6Å; S152-L155 PolarHBondContact O-N 3.28Å; S152-F156 WeakPolarHBondContact O-CB 3.2Å; S152-F156 VanDerWaalsContact O-CD2 3.29Å; S152-F156 WeakPolarHBondContact O-CD2 3.37Å; S152-F156 PolarHBondContact O-N 3.16Å; S152-Y166 WeakPolarHBondContact CA-OH 3.39Å; S152-Y166 PolarHBondContact N-OH 3.49Å; S152-Y166 PolarHBondContact OG-OH 3.46Å
153E97.5Very high96.2Very high87 Ų8743 Ų4341%0.40721%0.213SC..Hα-helixtrans-58.8-49.4174.3-175.4177.7167.300110.7Q149 L155 E157Q149-E153 WeakPolarHBondContact O-CB 3.22Å; Q149-E153 PolarHBondContact O-N 3.34Å; E153-L155 PolarHBondContact O-N 2.98Å; E153-E157 HydrophobicContact CG-CG 4.06Å; E153-E157 WeakPolarHBondContact O-CA 3.39Å; E153-E157 WeakPolarHBondContact O-CB 3.23Å; E153-E157 PolarHBondContact O-N 3.33Å
154L97.3Very high96.3Very high16 Ų1641.9 Ų41.98%0.08421%0.207CC..Iπ-helixtrans-56.4-47.4176179.760.4000111.8F109 Q112 E113 L116 M150 M151 C158 Y159F109-L154 HydrophobicContact CD1-CD2 4.21Å; Q112-L154 HydrophobicContact CG-CD2 4.08Å; E113-L154 HydrophobicContact CB-CD1 4.22Å; E113-L154 HydrophobicContact CB-CD2 4.41Å; E113-L154 HydrophobicContact CG-CD1 4.14Å; L116-L154 HydrophobicContact CD1-CD2 3.87Å; L116-L154 HydrophobicContact CD1-CG 4.37Å; M150-L154 WeakPolarHBondContact O-CB 3.48Å; M150-L154 PolarHBondContact O-N 3.01Å; M151-L154 PolarHBondContact O-N 3.41Å; L154-C158 HydrophobicContact CD1-CB 4.09Å; L154-C158 VanDerWaalsContact O-CB 3.25Å; L154-C158 WeakPolarHBondContact O-CB 3.19Å; L154-C158 PolarHBondContact O-N 3.41Å; L154-Y159 HydrophobicContact CD1-CD2 4.41Å; L154-Y159 HydrophobicContact CD1-CE2 3.83Å; L154-Y159 HydrophobicContact CG-CD2 4.3Å; L154-Y159 HydrophobicContact CG-CE2 3.89Å; L154-Y159 VanDerWaalsContact O-CD2 3.29Å; L154-Y159 WeakPolarHBondContact O-CD2 3.24Å; L154-Y159 PolarHBondContact O-N 3Å
155L97.7Very high96.6Very high0 Ų039 Ų390%019%0.188CC..Iπ-helixtrans-70.8-43.8-177.5-68.1176000113.4L116 I135 M151 S152 E153 Y159 R160 V161 V164L116-L155 HydrophobicContact CD1-CD2 3.87Å; I135-L155 HydrophobicContact CD1-CD2 3.9Å; M151-L155 HydrophobicContact CG-CD1 4.08Å; M151-L155 WeakPolarHBondContact O-CB 3.37Å; M151-L155 VanDerWaalsContact O-CG 3.31Å; M151-L155 WeakPolarHBondContact O-CG 3.39Å; M151-L155 PolarHBondContact O-N 3.47Å; M151-L155 HydrophobicContact SD-CD1 4.44Å; S152-L155 PolarHBondContact O-N 3.28Å; E153-L155 PolarHBondContact O-N 2.98Å; L155-Y159 HydrophobicContact CD2-CD2 4.28Å; L155-Y159 CarbonylContact O-C 3.59Å; L155-Y159 WeakPolarHBondContact O-CB 3.42Å; L155-Y159 PolarHBondContact O-N 3.45Å; L155-R160 PolarHBondContact O-N 3.48Å; L155-R160 VanDerWaalsContact O-N 3.09Å; L155-V161 HydrophobicContact CB-CG2 3.95Å; L155-V161 WeakPolarHBondContact O-CG2 3.38Å; L155-V161 PolarHBondContact O-N 3.22Å; L155-V164 HydrophobicContact CB-CG2 4.13Å; L155-V164 HydrophobicContact CD1-CG1 3.88Å; L155-V164 HydrophobicContact CD1-CG2 3.97Å
156F97.8Very high96.8Very high1 Ų137.8 Ų37.80%0.00418%0.181CC..Iπ-helixtrans-83.8-38.4-176.4-74.2-63.8000113.6S152 R160 V161 V164 I545 R547 Y550S152-F156 WeakPolarHBondContact O-CB 3.2Å; S152-F156 VanDerWaalsContact O-CD2 3.29Å; S152-F156 WeakPolarHBondContact O-CD2 3.37Å; S152-F156 PolarHBondContact O-N 3.16Å; F156-R160 WeakPolarHBondContact O-CA 2.95Å; F156-R160 PolarHBondContact O-N 2.9Å; F156-V161 HydrophobicContact CD1-CG2 3.96Å; F156-V161 VanDerWaalsContact CD1-O 3.29Å; F156-V161 WeakPolarHBondContact CD1-O 3.39Å; F156-V161 HydrophobicContact CE1-CG2 4.02Å; F156-V161 WeakPolarHBondContact CE1-O 3.48Å; F156-V164 HydrophobicContact CE1-CG2 4.05Å; F156-V164 HydrophobicContact CE2-CB 4.2Å; F156-V164 HydrophobicContact CE2-CG2 3.86Å; F156-V164 HydrophobicContact CZ-CB 3.95Å; F156-V164 HydrophobicContact CZ-CG2 3.59Å; F156-I545 HydrophobicContact CE2-CG2 4.16Å; F156-I545 HydrophobicContact CZ-CB 4.42Å; F156-I545 HydrophobicContact CZ-CG2 4.05Å; F156-I545 WeakPolarHBondContact CZ-O 3.45Å; F156-R547 HydrophobicContact CD1-CB 3.97Å; F156-R547 HydrophobicContact CD1-CG 4.24Å; F156-R547 HydrophobicContact CE1-CB 4.06Å; F156-Y550 HydrophobicContact CB-CD1 3.77Å; F156-Y550 HydrophobicContact CB-CE1 3.84Å; F156-Y550 HydrophobicContact CB-CG 4.2Å; F156-Y550 AromaticContact CD2-CD1 3.98Å; F156-Y550 HydrophobicContact CD2-CD1 3.98Å; F156-Y550 AromaticContact CD2-CD2 3.66Å; F156-Y550 HydrophobicContact CD2-CD2 3.66Å; F156-Y550 HydrophobicContact CD2-CE2 4.26Å; F156-Y550 AromaticContact CD2-CG 3.5Å; F156-Y550 HydrophobicContact CD2-CG 3.5Å; F156-Y550 VanDerWaalsContact CD2-CG 3.5Å; F156-Y550 HydrophobicContact CE2-CD2 4.19Å; F156-Y550 HydrophobicContact CE2-CG 4.02Å; F156-Y550 AromaticContact CG-CD1 3.94Å; F156-Y550 HydrophobicContact CG-CD1 3.94Å; F156-Y550 HydrophobicContact CG-CD2 4.43Å; F156-Y550 HydrophobicContact CG-CE1 4.46Å; F156-Y550 AromaticContact CG-CG 3.92Å; F156-Y550 HydrophobicContact CG-CG 3.92Å
157E96.3Very high97Very high95 Ų9532.1 Ų32.144%0.44416%0.155SC..Iπ-helixtrans-84.9-49.1-177.2-60.1-64.7166.400111.7E153 Y550E153-E157 HydrophobicContact CG-CG 4.06Å; E153-E157 WeakPolarHBondContact O-CA 3.39Å; E153-E157 WeakPolarHBondContact O-CB 3.23Å; E153-E157 PolarHBondContact O-N 3.33Å; E157-Y550 HydrophobicContact CG-CE1 4.44Å; E157-Y550 VanDerWaalsContact OE1-CE1 3.31Å; E157-Y550 WeakPolarHBondContact OE1-CE1 3.49Å; E157-Y550 PolarHBondContact OE1-OH 3.5Å
158C95.9Very high97.2Very high63 Ų6331.4 Ų31.443%0.42615%0.15SC..Iπ-helixtrans-81.9-43.9-176.8-57.60000112.4L154L154-C158 HydrophobicContact CD1-CB 4.09Å; L154-C158 VanDerWaalsContact O-CB 3.25Å; L154-C158 WeakPolarHBondContact O-CB 3.19Å; L154-C158 PolarHBondContact O-N 3.41Å
159Y96.8Very high97.2Very high15 Ų1533.1 Ų33.16%0.05916%0.16CC..SBendtrans-99.1-5.1-178-61.3-74.8000114.5E113 L116 D117 F120 S130 V131 L154 L155 V161E113-Y159 WeakPolarHBondContact CG-OH 3.44Å; E113-Y159 PolarHBondContact O-OH 2.95Å; L116-Y159 HydrophobicContact CB-CE2 4.12Å; L116-Y159 HydrophobicContact CD1-CD2 4.46Å; L116-Y159 HydrophobicContact CD1-CE2 3.83Å; D117-Y159 VanDerWaalsContact OD1-CE1 3.29Å; D117-Y159 WeakPolarHBondContact OD1-CE1 3.39Å; D117-Y159 PolarHBondContact OD1-OH 2.97Å; F120-Y159 AromaticContact CD2-CD1 3.83Å; F120-Y159 HydrophobicContact CD2-CD1 3.83Å; F120-Y159 AromaticContact CD2-CE1 3.69Å; F120-Y159 HydrophobicContact CD2-CE1 3.69Å; F120-Y159 AromaticContact CE2-CD1 3.59Å; F120-Y159 HydrophobicContact CE2-CD1 3.59Å; F120-Y159 HydrophobicContact CE2-CD2 4.17Å; F120-Y159 AromaticContact CE2-CE1 3.65Å; F120-Y159 HydrophobicContact CE2-CE1 3.65Å; F120-Y159 HydrophobicContact CE2-CE2 4.2Å; F120-Y159 AromaticContact CE2-CG 3.86Å; F120-Y159 HydrophobicContact CE2-CG 3.86Å; F120-Y159 AromaticContact CE2-CZ 3.96Å; S130-Y159 CarbonylContact C-O 3.59Å; S130-Y159 VanDerWaalsContact CA-O 3.25Å; S130-Y159 WeakPolarHBondContact CA-O 3.44Å; V131-Y159 HydrophobicContact CG2-CD1 4.2Å; V131-Y159 PolarHBondContact N-O 2.79Å; L154-Y159 HydrophobicContact CD1-CD2 4.41Å; L154-Y159 HydrophobicContact CD1-CE2 3.83Å; L154-Y159 HydrophobicContact CG-CD2 4.3Å; L154-Y159 HydrophobicContact CG-CE2 3.89Å; L154-Y159 VanDerWaalsContact O-CD2 3.29Å; L154-Y159 WeakPolarHBondContact O-CD2 3.24Å; L154-Y159 PolarHBondContact O-N 3Å; L155-Y159 HydrophobicContact CD2-CD2 4.28Å; L155-Y159 CarbonylContact O-C 3.59Å; L155-Y159 WeakPolarHBondContact O-CB 3.42Å; L155-Y159 PolarHBondContact O-N 3.45Å; Y159-V161 PolarHBondContact O-N 2.94Å
160R96.6Very high97.3Very high146 Ų14629.8 Ų29.855%0.55115%0.145SC*.  trans51.234175-59.3-178.5176.3-177.82.3114.2L155 F156L155-R160 PolarHBondContact O-N 3.48Å; L155-R160 VanDerWaalsContact O-N 3.09Å; F156-R160 WeakPolarHBondContact O-CA 2.95Å; F156-R160 PolarHBondContact O-N 2.9Å
161V96.9Very high97.3Very high0 Ų027 Ų270%013%0.131CC..  trans-65.7143.3-174.3-56.50000110.8V131 I135 L155 F156 Y159 V164V131-V161 HydrophobicContact CB-CG1 3.87Å; V131-V161 HydrophobicContact CG1-CG1 4.35Å; I135-V161 HydrophobicContact CD1-CB 4.33Å; I135-V161 HydrophobicContact CD1-CG1 3.49Å; I135-V161 VanDerWaalsContact CD1-CG1 3.49Å; I135-V161 HydrophobicContact CG1-CG1 4.23Å; L155-V161 HydrophobicContact CB-CG2 3.95Å; L155-V161 WeakPolarHBondContact O-CG2 3.38Å; L155-V161 PolarHBondContact O-N 3.22Å; F156-V161 HydrophobicContact CD1-CG2 3.96Å; F156-V161 VanDerWaalsContact CD1-O 3.29Å; F156-V161 WeakPolarHBondContact CD1-O 3.39Å; F156-V161 HydrophobicContact CE1-CG2 4.02Å; F156-V161 WeakPolarHBondContact CE1-O 3.48Å; Y159-V161 PolarHBondContact O-N 2.94Å; V161-V164 HydrophobicContact CG2-CG2 3.33Å
162P96.1Very high97.2Very high41 Ų4126.6 Ų26.627%0.26613%0.129SC..SBendtrans-72.3-38.5-175.927.3-35.5000112.5V131 H133 R547V131-P162 WeakPolarHBondContact O-CD 3.36Å; H133-P162 WeakPolarHBondContact O-CD 3.48Å; P162-R547 PolarHBondContact O-N 3.22Å; P162-R547 VanDerWaalsContact O-N 3.14Å
163F97.9Very high97.2Very high38 Ų3826.5 Ų26.517%0.16713%0.128CC..EExtended strand (participates in β ladder)trans-144.9143.6-178.3-58.9-87.5000111.3P134 I135 A537 A538 W544 I545P134-F163 CarbonylContact C-O 3.51Å; P134-F163 WeakPolarHBondContact CA-O 3.25Å; P134-F163 HydrophobicContact CB-CB 4.12Å; P134-F163 HydrophobicContact CG-CD2 4.32Å; I135-F163 PolarHBondContact N-O 3.44Å; F163-A537 HydrophobicContact CB-CB 4.24Å; F163-A537 HydrophobicContact CD2-CB 4.09Å; F163-A537 HydrophobicContact CG-CB 4.14Å; F163-A538 VanDerWaalsContact CE1-C 3.44Å; F163-W544 HydrophobicContact CB-CD2 4.5Å; F163-W544 HydrophobicContact CB-CE3 3.77Å; F163-W544 HydrophobicContact CB-CZ3 4.35Å; F163-W544 HydrophobicContact CD1-CB 4.49Å; F163-I545 CarbonylContact C-O 3.44Å; F163-I545 VanDerWaalsContact CA-O 3.23Å; F163-I545 WeakPolarHBondContact CA-O 3.17Å
164V98.1Very high97.1Very high0 Ų022.3 Ų22.30%011%0.109CC..EExtended strand (participates in β ladder)trans-126.6139.7172.2-176.70000110.3I135 L155 F156 V161 Y166 I545I135-V164 CarbonylContact O-C 3.54Å; I135-V164 VanDerWaalsContact O-CA 3.27Å; I135-V164 WeakPolarHBondContact O-CA 3.34Å; L155-V164 HydrophobicContact CB-CG2 4.13Å; L155-V164 HydrophobicContact CD1-CG1 3.88Å; L155-V164 HydrophobicContact CD1-CG2 3.97Å; F156-V164 HydrophobicContact CE1-CG2 4.05Å; F156-V164 HydrophobicContact CE2-CB 4.2Å; F156-V164 HydrophobicContact CE2-CG2 3.86Å; F156-V164 HydrophobicContact CZ-CB 3.95Å; F156-V164 HydrophobicContact CZ-CG2 3.59Å; V161-V164 HydrophobicContact CG2-CG2 3.33Å; V164-Y166 HydrophobicContact CG1-CD1 4.34Å; V164-Y166 HydrophobicContact CG1-CD2 4.23Å; V164-Y166 HydrophobicContact CG1-CE1 3.8Å; V164-Y166 HydrophobicContact CG1-CE2 3.7Å; V164-Y166 VanDerWaalsContact CG1-CZ 3.47Å; V164-I545 PolarHBondContact N-O 3.07Å; V164-I545 WeakPolarHBondContact O-CB 3.22Å; V164-I545 PolarHBondContact O-N 3.49Å
165S98.3Very high96.9Very high0 Ų022.5 Ų22.50%011%0.109CC..EExtended strand (participates in β ladder)trans-128137.4167.5-1740000110.3I135 L136 M137 W531 G543I135-S165 PolarHBondContact O-N 3.48Å; L136-S165 CarbonylContact C-O 3.57Å; L136-S165 WeakPolarHBondContact CA-O 3.38Å; M137-S165 PolarHBondContact N-O 3.09Å; S165-W531 WeakPolarHBondContact OG-CH2 3.42Å; S165-G543 WeakPolarHBondContact CB-O 3.31Å; S165-G543 PolarHBondContact OG-O 2.9Å
166Y98.3Very high96.7Very high5 Ų524 Ų242%0.0212%0.115CC..EExtended strand (participates in β ladder)trans-113.6140.9177.7-61.7-70000110.6M137 R148 M151 S152 V164 I545 L558 H561M137-Y166 HydrophobicContact CB-CD1 4.29Å; M137-Y166 HydrophobicContact CB-CE1 4.45Å; M137-Y166 WeakPolarHBondContact O-CA 3.45Å; R148-Y166 HydrophobicContact CG-CD2 4.2Å; R148-Y166 HydrophobicContact CG-CE2 3.96Å; M151-Y166 HydrophobicContact CG-CE1 3.91Å; S152-Y166 WeakPolarHBondContact CA-OH 3.39Å; S152-Y166 PolarHBondContact N-OH 3.49Å; S152-Y166 PolarHBondContact OG-OH 3.46Å; V164-Y166 HydrophobicContact CG1-CD1 4.34Å; V164-Y166 HydrophobicContact CG1-CD2 4.23Å; V164-Y166 HydrophobicContact CG1-CE1 3.8Å; V164-Y166 HydrophobicContact CG1-CE2 3.7Å; V164-Y166 VanDerWaalsContact CG1-CZ 3.47Å; Y166-I545 HydrophobicContact CD2-CD1 4.2Å; Y166-I545 HydrophobicContact CE2-CD1 4.25Å; Y166-L558 HydrophobicContact CD2-CD1 4.12Å; Y166-H561 PolarHBondContact O-NE2 3.17Å
167G97.5Very high96.4Very high0 Ų025.3 Ų25.30%012%0.122CC..EExtended strand (participates in β ladder)trans-156165.3172.200000114.4M137 T138 E139 Y172 A563M137-G167 PolarHBondContact O-N 3.09Å; M137-G167 VanDerWaalsContact O-N 3.14Å; T138-G167 CarbonylContact C-O 3.53Å; T138-G167 WeakPolarHBondContact CA-O 3.37Å; E139-G167 PolarHBondContact N-O 2.9Å; G167-Y172 VanDerWaalsContact CA-CE2 3.5Å; G167-A563 CarbonylContact C-O 3.49Å; G167-A563 VanDerWaalsContact CA-O 3.25Å; G167-A563 WeakPolarHBondContact CA-O 3.24Å
168V97.9Very high95.9Very high0 Ų021.9 Ų21.90%011%0.107CC..EExtended strand (participates in β ladder)trans-87.1127.3-179.5179.10000109.5P141 G170 L171 Y172 L201 A563P141-V168 HydrophobicContact CG-CG1 3.71Å; V168-G170 VanDerWaalsContact C-N 3.35Å; V168-G170 PolarHBondContact O-N 3.2Å; V168-L171 HydrophobicContact CB-CB 4.3Å; V168-L171 HydrophobicContact CB-CD1 3.9Å; V168-L171 HydrophobicContact CB-CG 4.07Å; V168-L171 HydrophobicContact CG1-CG 4.35Å; V168-L171 HydrophobicContact CG2-CD1 4.24Å; V168-L171 WeakPolarHBondContact O-CB 3.32Å; V168-L171 PolarHBondContact O-N 3.04Å; V168-Y172 WeakPolarHBondContact O-CD2 3.24Å; V168-Y172 PolarHBondContact O-N 3.04Å; V168-Y172 VanDerWaalsContact O-N 3.11Å; V168-L201 HydrophobicContact CG1-CD1 4.11Å; V168-A563 PolarHBondContact N-O 3Å
169D97.1Very high94.6Very high46 Ų4622.7 Ų22.725%0.24611%0.105CC..Hα-helixtrans-50-47.5179.661.9-14.9000114T138 L171 Y172 S173 A524T138-D169 HydrophobicContact CG2-CB 4.31Å; D169-L171 VanDerWaalsContact C-N 3.31Å; D169-L171 PolarHBondContact O-N 3.45Å; D169-Y172 PolarHBondContact O-N 3.05Å; D169-S173 PolarHBondContact O-N 3.16Å; D169-A524 HydrophobicContact CB-CB 3.75Å; D169-A524 WeakPolarHBondContact O-CB 3.35Å
170G96.4Very high92.8Very high1 Ų132.8 Ų32.81%0.0114%0.143CC..Hα-helixtrans-64.3-33.6179.400000113.2V168 F174V168-G170 VanDerWaalsContact C-N 3.35Å; V168-G170 PolarHBondContact O-N 3.2Å; G170-F174 WeakPolarHBondContact O-CB 3.15Å; G170-F174 PolarHBondContact O-N 3.45Å
171L96.9Very high90.6Very high0 Ų031.1 Ų31.10%015%0.145CC..Hα-helixtrans-72-43.5176.7-68.6176000111V168 D169 S173 F174 Y175 I190 V203 L208 A563V168-L171 HydrophobicContact CB-CB 4.3Å; V168-L171 HydrophobicContact CB-CD1 3.9Å; V168-L171 HydrophobicContact CB-CG 4.07Å; V168-L171 HydrophobicContact CG1-CG 4.35Å; V168-L171 HydrophobicContact CG2-CD1 4.24Å; V168-L171 WeakPolarHBondContact O-CB 3.32Å; V168-L171 PolarHBondContact O-N 3.04Å; D169-L171 VanDerWaalsContact C-N 3.31Å; D169-L171 PolarHBondContact O-N 3.45Å; L171-S173 VanDerWaalsContact C-N 3.35Å; L171-S173 PolarHBondContact O-N 3.45Å; L171-F174 WeakPolarHBondContact O-CB 3.35Å; L171-F174 PolarHBondContact O-N 2.57Å; L171-Y175 HydrophobicContact CB-CD2 4.46Å; L171-Y175 HydrophobicContact CB-CE2 4.07Å; L171-Y175 WeakPolarHBondContact O-CD2 3.19Å; L171-Y175 PolarHBondContact O-N 2.77Å; L171-I190 HydrophobicContact CD2-CD1 3.66Å; L171-V203 HydrophobicContact CD2-CG2 3.61Å; L171-L208 HydrophobicContact CD1-CB 3.99Å; L171-L208 HydrophobicContact CD1-CD2 4.22Å; L171-L208 HydrophobicContact CD1-CG 4.48Å; L171-L208 HydrophobicContact CD2-CB 4.41Å; L171-L208 HydrophobicContact CD2-CD1 4.29Å; L171-A563 HydrophobicContact CB-CB 3.74Å
172Y97Very high88.2Confident2 Ų238 Ų381%0.00818%0.181CC..Hα-helixtrans-58-47.5174.1-73.9-55.3000111.9L136 T138 G167 V168 D169 F174 Y175 H176 A524 G527 A528 W531 H561 A563L136-Y172 HydrophobicContact CD2-CE2 3.9Å; L136-Y172 WeakPolarHBondContact CD2-OH 3.38Å; T138-Y172 HydrophobicContact CG2-CD2 4.03Å; T138-Y172 HydrophobicContact CG2-CE2 4.16Å; G167-Y172 VanDerWaalsContact CA-CE2 3.5Å; V168-Y172 WeakPolarHBondContact O-CD2 3.24Å; V168-Y172 PolarHBondContact O-N 3.04Å; V168-Y172 VanDerWaalsContact O-N 3.11Å; D169-Y172 PolarHBondContact O-N 3.05Å; Y172-F174 VanDerWaalsContact C-N 3.3Å; Y172-F174 PolarHBondContact O-N 3.47Å; Y172-Y175 PolarHBondContact O-N 3.42Å; Y172-H176 WeakPolarHBondContact O-CB 3.19Å; Y172-H176 PolarHBondContact O-N 3.24Å; Y172-A524 WeakPolarHBondContact CB-O 3.48Å; Y172-G527 WeakPolarHBondContact O-CA 3.4Å; Y172-A528 HydrophobicContact CD1-CB 4.09Å; Y172-A528 HydrophobicContact CD2-CB 3.88Å; Y172-A528 HydrophobicContact CE1-CB 4.27Å; Y172-A528 HydrophobicContact CE2-CB 4.03Å; Y172-A528 HydrophobicContact CG-CB 3.9Å; Y172-W531 HydrophobicContact CD1-CB 4.24Å; Y172-W531 HydrophobicContact CE1-CB 3.95Å; Y172-W531 HydrophobicContact CE1-CD2 4.33Å; Y172-W531 AromaticContact CE1-CG 3.99Å; Y172-W531 HydrophobicContact CE1-CG 3.99Å; Y172-H561 AromaticContact CZ-CE1 3.92Å; Y172-H561 PolarHBondContact OH-CE1 3.23Å; Y172-H561 VanDerWaalsContact OH-CE1 3.28Å; Y172-A563 HydrophobicContact CD1-CB 3.63Å; Y172-A563 HydrophobicContact CE1-CB 3.55Å; Y172-A563 HydrophobicContact CE2-CB 4.48Å; Y172-A563 HydrophobicContact CG-CB 4.12Å
173S96.6Very high85.7Confident0 Ų044.2 Ų44.20%021%0.206CC..Hα-helixtrans-58.7-41.9175.7-179.10000112.3D169 L171 N177 F483 T485 D523D169-S173 PolarHBondContact O-N 3.16Å; L171-S173 VanDerWaalsContact C-N 3.35Å; L171-S173 PolarHBondContact O-N 3.45Å; S173-N177 PolarHBondContact O-N 3.46Å; S173-N177 PolarHBondContact O-ND2 2.8Å; S173-F483 WeakPolarHBondContact O-CZ 3.42Å; S173-F483 WeakPolarHBondContact OG-CE1 3.46Å; S173-F483 WeakPolarHBondContact OG-CZ 3.3Å; S173-T485 WeakPolarHBondContact CB-OG1 3.18Å; S173-T485 PolarHBondContact OG-OG1 3.48Å; S173-D523 WeakPolarHBondContact OG-CB 3.39Å
174F95.3Very high83.4Confident0 Ų054.2 Ų54.20%024%0.243CC..Hα-helixtrans-62.2-49.7177.1175.7-99.6000112G170 L171 Y172 N177 N178 N186 I190 V203 N481 F483G170-F174 WeakPolarHBondContact O-CB 3.15Å; G170-F174 PolarHBondContact O-N 3.45Å; L171-F174 WeakPolarHBondContact O-CB 3.35Å; L171-F174 PolarHBondContact O-N 2.57Å; Y172-F174 VanDerWaalsContact C-N 3.3Å; Y172-F174 PolarHBondContact O-N 3.47Å; F174-N177 PolarHBondContact O-N 3.01Å; F174-N178 WeakPolarHBondContact CD2-ND2 3.44Å; F174-N178 WeakPolarHBondContact O-CB 3.13Å; F174-N178 PolarHBondContact O-N 2.9Å; F174-N178 VanDerWaalsContact O-N 3.11Å; F174-N178 PolarHBondContact O-ND2 3.14Å; F174-N186 HydrophobicContact CE1-CB 3.81Å; F174-N186 WeakPolarHBondContact CE1-O 3.28Å; F174-N186 HydrophobicContact CZ-CB 4.16Å; F174-I190 HydrophobicContact CB-CD1 3.49Å; F174-I190 VanDerWaalsContact CB-CD1 3.49Å; F174-I190 HydrophobicContact CB-CG1 3.9Å; F174-I190 HydrophobicContact CD1-CD1 4.3Å; F174-I190 HydrophobicContact CD2-CD1 4.02Å; F174-I190 HydrophobicContact CD2-CG1 3.64Å; F174-I190 HydrophobicContact CE2-CG1 4.34Å; F174-I190 HydrophobicContact CG-CD1 3.7Å; F174-I190 HydrophobicContact CG-CG1 3.87Å; F174-V203 HydrophobicContact CD1-CG2 4.42Å; F174-V203 HydrophobicContact CE1-CB 4.24Å; F174-V203 HydrophobicContact CE1-CG1 4.04Å; F174-V203 HydrophobicContact CE1-CG2 4.32Å; F174-V203 HydrophobicContact CZ-CB 4.47Å; F174-N481 WeakPolarHBondContact CE2-ND2 3.22Å; F174-F483 VanDerWaalsContact CA-CE1 3.44Å; F174-F483 HydrophobicContact CB-CD1 3.88Å; F174-F483 HydrophobicContact CB-CE1 3.94Å; F174-F483 HydrophobicContact CD2-CB 3.75Å; F174-F483 AromaticContact CD2-CD1 3.82Å; F174-F483 HydrophobicContact CD2-CD1 3.82Å; F174-F483 AromaticContact CD2-CG 3.79Å; F174-F483 HydrophobicContact CD2-CG 3.79Å; F174-F483 HydrophobicContact CE2-CB 4.16Å; F174-F483 HydrophobicContact CG-CD1 4.37Å
175Y93.2Very high81.4Confident20 Ų2057.1 Ų57.18%0.07826%0.262CS..Hα-helixtrans-65.1-43-180-65.9-59000111.8L171 Y172 N177 N178 Q179 G206 C562 A563L171-Y175 HydrophobicContact CB-CD2 4.46Å; L171-Y175 HydrophobicContact CB-CE2 4.07Å; L171-Y175 WeakPolarHBondContact O-CD2 3.19Å; L171-Y175 PolarHBondContact O-N 2.77Å; Y172-Y175 PolarHBondContact O-N 3.42Å; Y175-N177 VanDerWaalsContact C-N 3.28Å; Y175-N177 PolarHBondContact O-N 3.03Å; Y175-N178 PolarHBondContact O-N 2.88Å; Y175-N178 VanDerWaalsContact O-N 3.09Å; Y175-Q179 WeakPolarHBondContact O-CB 3.45Å; Y175-Q179 WeakPolarHBondContact O-CG 3.03Å; Y175-Q179 PolarHBondContact O-N 3.49Å; Y175-G206 VanDerWaalsContact OH-C 3.28Å; Y175-G206 PolarHBondContact OH-O 2.95Å; Y175-C562 HydrophobicContact CE2-CB 3.95Å; Y175-C562 WeakPolarHBondContact CE2-O 3.41Å; Y175-C562 PolarHBondContact OH-O 3.01Å; Y175-A563 HydrophobicContact CD2-CB 4.06Å; Y175-A563 HydrophobicContact CE2-CB 3.97Å
176H93.1Very high80.4Confident30 Ų3059.2 Ų59.214%0.13927%0.273CS..Hα-helixtrans-52.6-44.8176.2-177.565.4000112.8Y172 D530Y172-H176 WeakPolarHBondContact O-CB 3.19Å; Y172-H176 PolarHBondContact O-N 3.24Å; H176-D530 IonicContact CE1-OD2 3.48Å; H176-D530 PolarHBondContact CE1-OD2 3.4Å; H176-D530 IonicContact CG-OD2 2.91Å; H176-D530 IonicContact ND1-OD2 3.22Å; H176-D530 PolarHBondContact ND1-OD2 3.27Å
177N92.3Very high80.1Confident29 Ų2960.2 Ų60.216%0.15528%0.28CS..Hα-helixtrans-81.7-16.5-177.2-76.6-89.6000113.6S173 F174 Y175 F483 T518 D523S173-N177 PolarHBondContact O-N 3.46Å; S173-N177 PolarHBondContact O-ND2 2.8Å; F174-N177 PolarHBondContact O-N 3.01Å; Y175-N177 VanDerWaalsContact C-N 3.28Å; Y175-N177 PolarHBondContact O-N 3.03Å; N177-F483 HydrophobicContact CB-CE2 3.57Å; N177-F483 HydrophobicContact CB-CZ 3.9Å; N177-T518 PolarHBondContact OD1-N 3.26Å; N177-T518 PolarHBondContact OD1-OG1 2.92Å; N177-D523 PolarHBondContact ND2-OD2 2.9Å; N177-D523 PolarHBondContact OD1-OD2 2.87Å
178N85.4Confident80Confident23 Ų2360.2 Ų60.212%0.12328%0.28CS..Hα-helixtrans-110.1-9.6-175.6-69.2-77.5000114.4F174 Y175 R180 N181 N481F174-N178 WeakPolarHBondContact CD2-ND2 3.44Å; F174-N178 WeakPolarHBondContact O-CB 3.13Å; F174-N178 PolarHBondContact O-N 2.9Å; F174-N178 VanDerWaalsContact O-N 3.11Å; F174-N178 PolarHBondContact O-ND2 3.14Å; Y175-N178 PolarHBondContact O-N 2.88Å; Y175-N178 VanDerWaalsContact O-N 3.09Å; N178-R180 PolarHBondContact O-N 3.23Å; N178-R180 VanDerWaalsContact O-N 3.12Å; N178-N181 PolarHBondContact O-N 2.77Å; N178-N481 PolarHBondContact OD1-ND2 2.97Å
179Q69.7Low79.9Confident81 Ų8160.2 Ų60.238%0.37928%0.28SS..THydrogen-bonded Turntrans-56.9-25.7176.6-88172.4-14.200114.3Y175 E534Y175-Q179 WeakPolarHBondContact O-CB 3.45Å; Y175-Q179 WeakPolarHBondContact O-CG 3.03Å; Y175-Q179 PolarHBondContact O-N 3.49Å; Q179-E534 PolarHBondContact NE2-OE1 3.14Å; Q179-E534 PolarHBondContact NE2-OE2 3.34Å; Q179-E534 VanDerWaalsContact NE2-OE2 3.14Å
180R57.5Low80Confident226 Ų22658 Ų5885%0.85327%0.268SS*.THydrogen-bonded Turntrans-89.5-15.3-174-64.7-177-179178.71115.4N178N178-R180 PolarHBondContact O-N 3.23Å; N178-R180 VanDerWaalsContact O-N 3.12Å
181N51.4Low80.1Confident111 Ų11158 Ų5859%0.59427%0.267SS*.SBendtrans-118.247.2-161.3-76.2-32.7000116.1N178N178-N181 PolarHBondContact O-N 2.77Å
182L46.2Very low80.1Confident144 Ų14458 Ų5875%0.75427%0.268SS*.  trans90.3138164.1-59.3128.6000119
183Q43.5Very low80.1Confident173 Ų17358 Ų5881%0.80827%0.268SS*.SBendtrans42121.1154.5-61.5-172-2.100118.8
184R49Very low80.1Confident247 Ų24759 Ų5993%0.93228%0.278SS*.SBendtrans-51.9144.4170.8-70-175.8-178.3-177.6-0.8110.5
185P56.6Low80.1Confident62 Ų6260.5 Ų60.540%0.40328%0.284SS..  cis-110.7147.9-5.439.1-30.8000113.4T187 N205P185-T187 VanDerWaalsContact C-N 3.3Å; P185-T187 PolarHBondContact O-N 3.24Å; P185-N205 VanDerWaalsContact CB-CA 3.41Å; P185-N205 HydrophobicContact CB-CB 4.01Å; P185-N205 VanDerWaalsContact CG-CA 3.44Å; P185-N205 HydrophobicContact CG-CB 3.71Å; P185-N205 WeakPolarHBondContact CG-OD1 3.37Å
186N77.7Confident80.2Confident43 Ų4361 Ų6123%0.2329%0.287CS..  trans-70.176.3-174.3-61.9-18000112F174 V203F174-N186 HydrophobicContact CE1-CB 3.81Å; F174-N186 WeakPolarHBondContact CE1-O 3.28Å; F174-N186 HydrophobicContact CZ-CB 4.16Å; N186-V203 WeakPolarHBondContact O-CG1 3.36Å
187T91.4Very high80.3Confident26 Ų2659.8 Ų59.816%0.1628%0.282CS..  trans-78.2136.3172.8-63.40000109.7P185 V203 N205 A477 L478P185-T187 VanDerWaalsContact C-N 3.3Å; P185-T187 PolarHBondContact O-N 3.24Å; T187-V203 CarbonylContact C-O 3.58Å; T187-V203 VanDerWaalsContact CA-O 3.25Å; T187-V203 WeakPolarHBondContact CA-O 3.39Å; T187-V203 WeakPolarHBondContact CG2-O 3.36Å; T187-N205 PolarHBondContact OG1-N 3.15Å; T187-A477 HydrophobicContact CG2-CB 3.92Å; T187-L478 HydrophobicContact CG2-CD2 3.95Å; T187-L478 HydrophobicContact CG2-CG 4.27Å
188G94.8Very high80.6Confident0 Ų058.5 Ų58.50%028%0.275CS..EExtended strand (participates in β ladder)trans179.6177.4-178.200000111.2V203 L478 N481G188-V203 PolarHBondContact N-O 2.97Å; G188-V203 PolarHBondContact O-N 3.01Å; G188-V203 VanDerWaalsContact O-O 3.06Å; G188-L478 WeakPolarHBondContact CA-O 3.49Å; G188-L478 WeakPolarHBondContact O-CD2 3.26Å; G188-N481 CarbonylContact C-O 3.51Å; G188-N481 WeakPolarHBondContact CA-O 3.35Å
189I97.2Very high81.2Confident0 Ų057.9 Ų57.90%027%0.271CS..EExtended strand (participates in β ladder)trans-128.3125.9175.6-170.6150.6000110.1I200 P202 L463 V466 L467 L478 N481 V482 F483I189-I200 HydrophobicContact CD1-CG2 3.72Å; I189-I200 HydrophobicContact CG1-CG2 3.89Å; I189-P202 HydrophobicContact CD1-CB 4.26Å; I189-L463 HydrophobicContact CD1-CD1 3.25Å; I189-L463 HydrophobicContact CG1-CD1 3.83Å; I189-L463 HydrophobicContact CG2-CD1 4.15Å; I189-V466 HydrophobicContact CD1-CG1 3.88Å; I189-L467 HydrophobicContact CD1-CD2 4.46Å; I189-L478 PolarHBondContact N-O 3.44Å; I189-N481 PolarHBondContact N-O 3.32Å; I189-V482 HydrophobicContact CG2-CB 4.2Å; I189-V482 HydrophobicContact CG2-CG1 4.19Å; I189-V482 HydrophobicContact CG2-CG2 3.77Å; I189-V482 CarbonylContact O-C 3.43Å; I189-V482 WeakPolarHBondContact O-CA 3.19Å; I189-F483 PolarHBondContact O-N 3.48Å
190I98.1Very high82.6Confident0 Ų054 Ų540%025%0.253CS..EExtended strand (participates in β ladder)trans-96.4127.3-176.7-56.5161.1000108.6L171 F174 I200 L201 V203 F483 T485L171-I190 HydrophobicContact CD2-CD1 3.66Å; F174-I190 HydrophobicContact CB-CD1 3.49Å; F174-I190 VanDerWaalsContact CB-CD1 3.49Å; F174-I190 HydrophobicContact CB-CG1 3.9Å; F174-I190 HydrophobicContact CD1-CD1 4.3Å; F174-I190 HydrophobicContact CD2-CD1 4.02Å; F174-I190 HydrophobicContact CD2-CG1 3.64Å; F174-I190 HydrophobicContact CE2-CG1 4.34Å; F174-I190 HydrophobicContact CG-CD1 3.7Å; F174-I190 HydrophobicContact CG-CG1 3.87Å; I190-I200 CarbonylContact O-C 3.55Å; I190-I200 WeakPolarHBondContact O-CA 3.44Å; I190-L201 HydrophobicContact CB-CB 4.13Å; I190-L201 HydrophobicContact CD1-CB 4.42Å; I190-L201 PolarHBondContact N-O 3.33Å; I190-L201 PolarHBondContact O-N 3.4Å; I190-V203 HydrophobicContact CD1-CG2 3.66Å; I190-V203 HydrophobicContact CG1-CG2 4.31Å; I190-F483 CarbonylContact C-O 3.58Å; I190-F483 WeakPolarHBondContact CA-O 3.31Å; I190-F483 HydrophobicContact CG1-CB 4.45Å; I190-F483 HydrophobicContact CG1-CD1 4.17Å; I190-F483 HydrophobicContact CG2-CD1 4.07Å; I190-T485 HydrophobicContact CG2-CG2 3.73Å
191L98.3Very high84.5Confident0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-102.8100.6164.8-52.8-176.8000107.5I200 L459 M460 L463 V482 F483 L484 T485 M489 V498L191-I200 HydrophobicContact CD2-CB 4.34Å; L191-I200 HydrophobicContact CD2-CG1 3.84Å; L191-I200 HydrophobicContact CD2-CG2 4.05Å; L191-L459 HydrophobicContact CB-CD2 4.49Å; L191-L459 HydrophobicContact CD1-CD2 4.28Å; L191-L459 HydrophobicContact CD1-CG 4.47Å; L191-L459 HydrophobicContact CD2-CD1 4.32Å; L191-M460 HydrophobicContact CD1-SD 4.33Å; L191-L463 HydrophobicContact CD1-CD2 4.23Å; L191-L463 HydrophobicContact CD2-CD1 4.25Å; L191-L463 HydrophobicContact CD2-CD2 4.34Å; L191-V482 HydrophobicContact CD1-CG1 3.9Å; L191-V482 HydrophobicContact CG-CG1 4.13Å; L191-F483 PolarHBondContact N-O 2.95Å; L191-L484 HydrophobicContact CB-CD2 3.8Å; L191-L484 HydrophobicContact CD1-CD2 3.69Å; L191-L484 HydrophobicContact CG-CD2 4.06Å; L191-T485 PolarHBondContact O-N 3.46Å; L191-M489 HydrophobicContact CB-CE 3.9Å; L191-M489 WeakPolarHBondContact O-CE 3.3Å; L191-V498 HydrophobicContact CD1-CG1 4.12Å
192S97.7Very high86.7Confident2 Ų238 Ų381%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-104.7121.1179.8-178.90000110.2S198 H199 T485S192-S198 CarbonylContact O-C 3.49Å; S192-S198 WeakPolarHBondContact O-CA 3.33Å; S192-H199 PolarHBondContact N-O 3.06Å; S192-H199 PolarHBondContact O-N 3.31Å; S192-T485 CarbonylContact C-O 3.53Å; S192-T485 VanDerWaalsContact CA-O 3.28Å; S192-T485 WeakPolarHBondContact CA-O 3.49Å
193S97.4Very high89Confident0 Ų031.1 Ų31.10%015%0.149CC..EExtended strand (participates in β ladder)trans-116.9104.5174.2-169.90000111.3S198 T485 G486 G487 N488S193-S198 WeakPolarHBondContact CB-OG 3.42Å; S193-S198 PolarHBondContact OG-OG 2.8Å; S193-T485 PolarHBondContact N-O 2.93Å; S193-G486 CarbonylContact O-C 3.57Å; S193-G486 VanDerWaalsContact O-C 3.3Å; S193-G486 WeakPolarHBondContact O-CA 3.44Å; S193-G487 PolarHBondContact O-N 3.21Å; S193-N488 PolarHBondContact O-N 3.42Å; S193-N488 PolarHBondContact O-ND2 3.03Å; S193-N488 PolarHBondContact OG-ND2 2.74Å
194G95.8Very high91.4Very high21 Ų2124.7 Ų24.722%0.21612%0.121CC..  trans-91.8-161.7179.200000112.6C197 A219 N488G194-C197 PolarHBondContact N-O 2.76Å; G194-A219 WeakPolarHBondContact O-CB 3.37Å; G194-N488 PolarHBondContact O-ND2 2.96Å
195Y96.4Very high93.3Very high32 Ų3218 Ų1813%0.12510%0.104CC..SBendtrans-74.6-42.6-175.8-176.3-127.4000113.8F46 G220 S221 E248F46-Y195 HydrophobicContact CB-CD1 3.93Å; F46-Y195 HydrophobicContact CB-CD2 4Å; F46-Y195 HydrophobicContact CB-CG 3.6Å; F46-Y195 HydrophobicContact CD2-CD1 4.26Å; F46-Y195 AromaticContact CD2-CD2 3.76Å; F46-Y195 HydrophobicContact CD2-CD2 3.76Å; F46-Y195 HydrophobicContact CD2-CE1 4.22Å; F46-Y195 AromaticContact CD2-CE2 3.71Å; F46-Y195 HydrophobicContact CD2-CE2 3.71Å; F46-Y195 HydrophobicContact CD2-CG 4.08Å; F46-Y195 AromaticContact CD2-CZ 3.98Å; F46-Y195 HydrophobicContact CE2-CE2 4.17Å; F46-Y195 HydrophobicContact CG-CD2 4.05Å; F46-Y195 HydrophobicContact CG-CE2 4.46Å; F46-Y195 HydrophobicContact CG-CG 4.16Å; Y195-G220 PolarHBondContact O-N 3.04Å; Y195-G220 VanDerWaalsContact O-N 3.14Å; Y195-S221 VanDerWaalsContact O-CB 3.25Å; Y195-S221 WeakPolarHBondContact O-CB 3.25Å; Y195-S221 PolarHBondContact O-N 2.87Å; Y195-E248 PolarHBondContact OH-OE1 2.73Å
196H95.4Very high94.8Very high32 Ų3215.8 Ų15.815%0.1489%0.092CC..SBendtrans-106-18.5-176-74.5-77.6000115.3R103 S221 Q222R103-H196 VanDerWaalsContact C-CD2 3.49Å; R103-H196 HydrophobicContact CB-CB 3.94Å; R103-H196 PolarHBondContact O-CD2 2.81Å; H196-S221 PolarHBondContact CE1-OG 3.09Å; H196-Q222 PolarHBondContact O-OE1 2.95Å
197C95.6Very high95.4Very high3 Ų317.6 Ų17.62%0.0210%0.096CC..  trans-153.3155.4-175.355.30000111.2N104 G194 H199 R215 V216N104-C197 PolarHBondContact ND2-SG 2.79Å; G194-C197 PolarHBondContact N-O 2.76Å; C197-H199 PolarHBondContact SG-CE1 2.99Å; C197-R215 HydrophobicContact CB-CG 4.22Å; C197-V216 CarbonylContact C-O 3.6Å; C197-V216 VanDerWaalsContact CA-O 3.3Å; C197-V216 WeakPolarHBondContact CA-O 3.32Å; C197-V216 WeakPolarHBondContact CB-O 3.48Å
198S97.4Very high95.6Very high2 Ų217.1 Ų17.11%0.0149%0.092CC..EExtended strand (participates in β ladder)trans-112.1147.2173.8-54.20000109.5S192 S193 R215 V216 V218S192-S198 CarbonylContact O-C 3.49Å; S192-S198 WeakPolarHBondContact O-CA 3.33Å; S193-S198 WeakPolarHBondContact CB-OG 3.42Å; S193-S198 PolarHBondContact OG-OG 2.8Å; S198-R215 CarbonylContact O-C 3.58Å; S198-R215 WeakPolarHBondContact O-CA 3.28Å; S198-V216 PolarHBondContact N-O 3.03Å; S198-V216 PolarHBondContact O-N 2.99Å; S198-V218 PolarHBondContact OG-O 3.47Å
199H97.9Very high95.6Very high10 Ų1018.7 Ų18.75%0.04610%0.1CC..EExtended strand (participates in β ladder)trans-129.1140.5-176-55.9102.1000110.7S192 C197 L201 K214S192-H199 PolarHBondContact N-O 3.06Å; S192-H199 PolarHBondContact O-N 3.31Å; C197-H199 PolarHBondContact SG-CE1 2.99Å; H199-L201 HydrophobicContact CB-CD1 4.29Å; H199-L201 HydrophobicContact CB-CD2 3.9Å; H199-L201 HydrophobicContact CB-CG 3.89Å; H199-K214 CarbonylContact C-O 3.51Å; H199-K214 WeakPolarHBondContact CA-O 3.34Å
200I98.4Very high95.5Very high0 Ų021 Ų210%012%0.119CC..EExtended strand (participates in β ladder)trans-110.4108.7169.5-58.675.2000105.5I189 I190 L191 P202 S213 K214 V216 L459 T462 L463 V466I189-I200 HydrophobicContact CD1-CG2 3.72Å; I189-I200 HydrophobicContact CG1-CG2 3.89Å; I190-I200 CarbonylContact O-C 3.55Å; I190-I200 WeakPolarHBondContact O-CA 3.44Å; L191-I200 HydrophobicContact CD2-CB 4.34Å; L191-I200 HydrophobicContact CD2-CG1 3.84Å; L191-I200 HydrophobicContact CD2-CG2 4.05Å; I200-P202 WeakPolarHBondContact O-CD 3.27Å; I200-S213 WeakPolarHBondContact O-CA 3.28Å; I200-K214 HydrophobicContact CB-CB 4.43Å; I200-K214 HydrophobicContact CD1-CB 4.41Å; I200-K214 PolarHBondContact N-O 2.81Å; I200-K214 PolarHBondContact O-N 3.31Å; I200-V216 HydrophobicContact CD1-CG2 4Å; I200-L459 HydrophobicContact CD1-CD1 3.82Å; I200-L459 HydrophobicContact CG1-CD1 4.12Å; I200-T462 HydrophobicContact CD1-CG2 3.5Å; I200-T462 VanDerWaalsContact CD1-CG2 3.5Å; I200-T462 HydrophobicContact CG1-CG2 4.03Å; I200-L463 HydrophobicContact CG2-CD1 4.07Å; I200-V466 HydrophobicContact CB-CG2 4.49Å; I200-V466 HydrophobicContact CG2-CB 4.3Å; I200-V466 HydrophobicContact CG2-CG1 4.34Å; I200-V466 HydrophobicContact CG2-CG2 4.03Å
201L97.9Very high95.3Very high1 Ų126.6 Ų26.61%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-118.495.5-172.8-51.6175.9000109.4P141 V168 I190 H199 V203 L208P141-L201 HydrophobicContact CB-CD2 4.14Å; P141-L201 HydrophobicContact CG-CD1 4.23Å; P141-L201 HydrophobicContact CG-CD2 4.22Å; V168-L201 HydrophobicContact CG1-CD1 4.11Å; I190-L201 HydrophobicContact CB-CB 4.13Å; I190-L201 HydrophobicContact CD1-CB 4.42Å; I190-L201 PolarHBondContact N-O 3.33Å; I190-L201 PolarHBondContact O-N 3.4Å; H199-L201 HydrophobicContact CB-CD1 4.29Å; H199-L201 HydrophobicContact CB-CD2 3.9Å; H199-L201 HydrophobicContact CB-CG 3.89Å; L201-V203 PolarHBondContact O-N 2.86Å; L201-L208 HydrophobicContact CB-CD1 3.72Å; L201-L208 HydrophobicContact CD2-CD1 4.23Å; L201-L208 HydrophobicContact CG-CD1 4.44Å
202P97.5Very high95.2Very high0 Ų028 Ų280%016%0.161CC..EExtended strand (participates in β ladder)trans-67.8129.4171.224.5-29000110.4I189 I200 D209 N212 V466 Y470 L478I189-P202 HydrophobicContact CD1-CB 4.26Å; I200-P202 WeakPolarHBondContact O-CD 3.27Å; P202-D209 HydrophobicContact CB-CB 4.43Å; P202-D209 HydrophobicContact CG-CB 4.09Å; P202-D209 PolarHBondContact O-N 2.8Å; P202-N212 HydrophobicContact CG-CB 4.12Å; P202-V466 HydrophobicContact CG-CG1 4.1Å; P202-Y470 HydrophobicContact CB-CE2 4.29Å; P202-Y470 WeakPolarHBondContact CB-OH 3.43Å; P202-Y470 WeakPolarHBondContact CG-OH 2.97Å; P202-L478 HydrophobicContact CB-CD2 4.12Å
203V95.4Very high95.2Very high0 Ų029 Ų290%017%0.168CC..EExtended strand (participates in β ladder)trans-111.1117.8173.2-177.50000107.2L171 F174 N186 T187 G188 I190 L201 R207L171-V203 HydrophobicContact CD2-CG2 3.61Å; F174-V203 HydrophobicContact CD1-CG2 4.42Å; F174-V203 HydrophobicContact CE1-CB 4.24Å; F174-V203 HydrophobicContact CE1-CG1 4.04Å; F174-V203 HydrophobicContact CE1-CG2 4.32Å; F174-V203 HydrophobicContact CZ-CB 4.47Å; N186-V203 WeakPolarHBondContact O-CG1 3.36Å; T187-V203 CarbonylContact C-O 3.58Å; T187-V203 VanDerWaalsContact CA-O 3.25Å; T187-V203 WeakPolarHBondContact CA-O 3.39Å; T187-V203 WeakPolarHBondContact CG2-O 3.36Å; G188-V203 PolarHBondContact N-O 2.97Å; G188-V203 PolarHBondContact O-N 3.01Å; G188-V203 VanDerWaalsContact O-O 3.06Å; I190-V203 HydrophobicContact CD1-CG2 3.66Å; I190-V203 HydrophobicContact CG1-CG2 4.31Å; L201-V203 PolarHBondContact O-N 2.86Å; V203-R207 CarbonylContact C-O 3.59Å; V203-R207 WeakPolarHBondContact CA-O 3.16Å
204V92.8Very high95.2Very high37 Ų3732.3 Ų32.322%0.22418%0.182CC..EExtended strand (participates in β ladder)trans-118125178.4-178.40000107.7G206 R207 Y470 L478V204-G206 VanDerWaalsContact C-N 3.25Å; V204-G206 PolarHBondContact O-N 3Å; V204-R207 PolarHBondContact N-O 3.2Å; V204-R207 PolarHBondContact O-N 2.98Å; V204-R207 VanDerWaalsContact O-N 3.13Å; V204-R207 VanDerWaalsContact O-O 3.12Å; V204-Y470 HydrophobicContact CG2-CE1 4.16Å; V204-L478 HydrophobicContact CG2-CD2 4.05Å
205N89.6Confident95.2Very high108 Ų10835.8 Ų35.858%0.57819%0.189SC*.THydrogen-bonded Turntrans53.939.7-179.2-58.9-34.6000114.4P185 T187 R207P185-N205 VanDerWaalsContact CB-CA 3.41Å; P185-N205 HydrophobicContact CB-CB 4.01Å; P185-N205 VanDerWaalsContact CG-CA 3.44Å; P185-N205 HydrophobicContact CG-CB 3.71Å; P185-N205 WeakPolarHBondContact CG-OD1 3.37Å; T187-N205 PolarHBondContact OG1-N 3.15Å; N205-R207 PolarHBondContact O-N 3.14Å
206G88.4Confident95.1Very high15 Ų1534.5 Ų34.516%0.15518%0.184CC..THydrogen-bonded Turntrans70.719.5177.700000113.8Y175 V204Y175-G206 VanDerWaalsContact OH-C 3.28Å; Y175-G206 PolarHBondContact OH-O 2.95Å; V204-G206 VanDerWaalsContact C-N 3.25Å; V204-G206 PolarHBondContact O-N 3Å
207R90.9Very high95.1Very high80 Ų8034.7 Ų34.730%0.30219%0.187SC..EExtended strand (participates in β ladder)trans-131.4144.3173.9-70.5-66.8-62.5-179.51.4109.9V203 V204 N205 D209 E560 H561V203-R207 CarbonylContact C-O 3.59Å; V203-R207 WeakPolarHBondContact CA-O 3.16Å; V204-R207 PolarHBondContact N-O 3.2Å; V204-R207 PolarHBondContact O-N 2.98Å; V204-R207 VanDerWaalsContact O-N 3.13Å; V204-R207 VanDerWaalsContact O-O 3.12Å; N205-R207 PolarHBondContact O-N 3.14Å; R207-D209 PolarHBondContact O-N 2.87Å; R207-E560 IonicContact CZ-OE2 3.97Å; R207-E560 IonicContact NH2-OE2 3.86Å; R207-E560 PolarHBondContact NH2-OE2 2.88Å; R207-H561 PolarHBondContact NH1-O 3.06Å
208L94.9Very high95Very high16 Ų1634.6 Ų34.68%0.08419%0.186CC..EExtended strand (participates in β ladder)trans-65.9127.8173.8178.169.4000110.2L171 L201 A210L171-L208 HydrophobicContact CD1-CB 3.99Å; L171-L208 HydrophobicContact CD1-CD2 4.22Å; L171-L208 HydrophobicContact CD1-CG 4.48Å; L171-L208 HydrophobicContact CD2-CB 4.41Å; L171-L208 HydrophobicContact CD2-CD1 4.29Å; L201-L208 HydrophobicContact CB-CD1 3.72Å; L201-L208 HydrophobicContact CD2-CD1 4.23Å; L201-L208 HydrophobicContact CG-CD1 4.44Å; L208-A210 HydrophobicContact CD2-CB 4.38Å; L208-A210 PolarHBondContact O-N 3.41Å
209D95.6Very high95Very high33 Ų3334.5 Ų34.518%0.17619%0.186CC..  trans-84.888.9163.4-179.6-4.6000109.3P202 R207 V211 N212 S213 Y470P202-D209 HydrophobicContact CB-CB 4.43Å; P202-D209 HydrophobicContact CG-CB 4.09Å; P202-D209 PolarHBondContact O-N 2.8Å; R207-D209 PolarHBondContact O-N 2.87Å; D209-V211 PolarHBondContact O-N 3.46Å; D209-V211 PolarHBondContact OD1-N 2.97Å; D209-V211 VanDerWaalsContact OD1-N 3.15Å; D209-N212 PolarHBondContact O-N 3.4Å; D209-N212 PolarHBondContact OD1-N 2.98Å; D209-N212 PolarHBondContact OD2-ND2 3.18Å; D209-S213 PolarHBondContact O-N 3.27Å; D209-S213 VanDerWaalsContact O-N 3.14Å; D209-S213 PolarHBondContact O-OG 2.83Å; D209-Y470 VanDerWaalsContact CG-OH 3.31Å; D209-Y470 WeakPolarHBondContact OD2-CE1 3.44Å; D209-Y470 PolarHBondContact OD2-OH 2.67Å
210A93.9Very high94.9Very high48 Ų4834.1 Ų34.140%0.39718%0.184SC..THydrogen-bonded Turntrans-65.4-26.1-178.300000113.1L208 V566L208-A210 HydrophobicContact CD2-CB 4.38Å; L208-A210 PolarHBondContact O-N 3.41Å; A210-V566 HydrophobicContact CB-CB 4.39Å; A210-V566 HydrophobicContact CB-CG2 3.82Å
211V93.8Very high94.8Very high118 Ų11834.8 Ų34.872%0.71519%0.189SC*.THydrogen-bonded Turntrans-70.2-41.8-177.8177.30000110.7D209D209-V211 PolarHBondContact O-N 3.46Å; D209-V211 PolarHBondContact OD1-N 2.97Å; D209-V211 VanDerWaalsContact OD1-N 3.15Å
212N96Very high94.7Very high30 Ų3036.2 Ų36.216%0.1620%0.195CC..THydrogen-bonded Turntrans-93.4-4.1-178.3-69.4-48.4000113.6P202 D209 V466 R469 Y470P202-N212 HydrophobicContact CG-CB 4.12Å; D209-N212 PolarHBondContact O-N 3.4Å; D209-N212 PolarHBondContact OD1-N 2.98Å; D209-N212 PolarHBondContact OD2-ND2 3.18Å; N212-V466 WeakPolarHBondContact O-CG2 3.34Å; N212-R469 WeakPolarHBondContact OD1-CB 3.49Å; N212-Y470 HydrophobicContact CB-CE2 4.11Å; N212-Y470 WeakPolarHBondContact CB-OH 3.49Å; N212-Y470 PolarHBondContact ND2-OH 2.82Å
213S97.1Very high94.7Very high24 Ų2436.4 Ų36.417%0.16820%0.197CC..  trans-60145172.1-67.80000111.9I200 D209I200-S213 WeakPolarHBondContact O-CA 3.28Å; D209-S213 PolarHBondContact O-N 3.27Å; D209-S213 VanDerWaalsContact O-N 3.14Å; D209-S213 PolarHBondContact O-OG 2.83Å
214K97.6Very high94.8Very high68 Ų6836.4 Ų36.430%0.29620%0.197SC..EExtended strand (participates in β ladder)trans-132.2149178.1-59.9-63.3159.7-145.70111.9H199 I200 T462 V466H199-K214 CarbonylContact C-O 3.51Å; H199-K214 WeakPolarHBondContact CA-O 3.34Å; I200-K214 HydrophobicContact CB-CB 4.43Å; I200-K214 HydrophobicContact CD1-CB 4.41Å; I200-K214 PolarHBondContact N-O 2.81Å; I200-K214 PolarHBondContact O-N 3.31Å; K214-T462 HydrophobicContact CB-CG2 3.47Å; K214-T462 VanDerWaalsContact CB-CG2 3.47Å; K214-T462 HydrophobicContact CG-CG2 3.89Å; K214-V466 HydrophobicContact CB-CG2 4.17Å; K214-V466 HydrophobicContact CG-CG2 3.37Å
215R96Very high95Very high94 Ų9436.3 Ų36.336%0.35520%0.198SC..EExtended strand (participates in β ladder)trans-120.6132.3176174.2-177.3166.815412.9108.7N104 C197 S198 N217N104-R215 PolarHBondContact OD1-NH1 2.97Å; N104-R215 PolarHBondContact OD1-NH2 3.49Å; C197-R215 HydrophobicContact CB-CG 4.22Å; S198-R215 CarbonylContact O-C 3.58Å; S198-R215 WeakPolarHBondContact O-CA 3.28Å; R215-N217 PolarHBondContact NE-OD1 3.04Å; R215-N217 PolarHBondContact NH2-OD1 2.82Å
216V95.5Very high95.4Very high5 Ų532.4 Ų32.43%0.0318%0.175CC..EExtended strand (participates in β ladder)trans-110.5128.6170.2-175.30000107.4C197 S198 I200 V218 T462C197-V216 CarbonylContact C-O 3.6Å; C197-V216 VanDerWaalsContact CA-O 3.3Å; C197-V216 WeakPolarHBondContact CA-O 3.32Å; C197-V216 WeakPolarHBondContact CB-O 3.48Å; S198-V216 PolarHBondContact N-O 3.03Å; S198-V216 PolarHBondContact O-N 2.99Å; I200-V216 HydrophobicContact CD1-CG2 4Å; V216-V218 HydrophobicContact CG1-CB 4.21Å; V216-V218 HydrophobicContact CG1-CG2 4.49Å; V216-V218 PolarHBondContact O-N 2.91Å; V216-V218 VanDerWaalsContact O-N 3.09Å; V216-T462 HydrophobicContact CG2-CG2 4.26Å
217N94Very high95.9Very high37 Ų3731.7 Ų31.720%0.19817%0.168CC..SBendtrans-82.826.1-175.7-73.2-29.2000113.5R215 Q456R215-N217 PolarHBondContact NE-OD1 3.04Å; R215-N217 PolarHBondContact NH2-OD1 2.82Å; N217-Q456 PolarHBondContact ND2-NE2 3.41Å; N217-Q456 VanDerWaalsContact ND2-NE2 3.19Å
218V94.7Very high96.2Very high0 Ų029.7 Ų29.70%016%0.162CC..  trans-126.4125.7179.6-178.60000109S198 V216 Q222 I445 P449 I452 E454S198-V218 PolarHBondContact OG-O 3.47Å; V216-V218 HydrophobicContact CG1-CB 4.21Å; V216-V218 HydrophobicContact CG1-CG2 4.49Å; V216-V218 PolarHBondContact O-N 2.91Å; V216-V218 VanDerWaalsContact O-N 3.09Å; V218-Q222 HydrophobicContact CG1-CB 4.37Å; V218-I445 HydrophobicContact CG1-CB 4.08Å; V218-I445 HydrophobicContact CG1-CD1 3.51Å; V218-I445 HydrophobicContact CG1-CG1 3.5Å; V218-I445 VanDerWaalsContact CG1-CG1 3.5Å; V218-P449 HydrophobicContact CG2-CB 4.12Å; V218-P449 HydrophobicContact CG2-CG 4.5Å; V218-I452 HydrophobicContact CG1-CD1 4.34Å; V218-I452 HydrophobicContact CG2-CD1 4.17Å; V218-E454 HydrophobicContact CG2-CB 4.26Å; V218-E454 HydrophobicContact CG2-CG 4.11Å
219A95.9Very high96.3Very high1 Ų137.1 Ų37.11%0.00819%0.189CC..SBendtrans-159-149.1172.900000111.5G194 S221 Q222 A223G194-A219 WeakPolarHBondContact O-CB 3.37Å; A219-S221 PolarHBondContact O-N 3.49Å; A219-Q222 PolarHBondContact O-N 3.22Å; A219-A223 PolarHBondContact O-N 3.36Å
220G95.9Very high96.4Very high2 Ų237.4 Ų37.42%0.02119%0.19CC..Hα-helixtrans-59.9-36.8-171.700000115.2Y195 A223 A224 N488Y195-G220 PolarHBondContact O-N 3.04Å; Y195-G220 VanDerWaalsContact O-N 3.14Å; G220-A223 PolarHBondContact O-N 2.8Å; G220-A224 WeakPolarHBondContact O-CB 3.33Å; G220-A224 PolarHBondContact O-N 3.35Å; G220-N488 WeakPolarHBondContact CA-OD1 3.36Å; G220-N488 PolarHBondContact N-ND2 2.94Å; G220-N488 VanDerWaalsContact N-ND2 3.13Å
221S96.3Very high96.5Very high13 Ų1335.1 Ų35.19%0.09117%0.171CC..Hα-helixtrans-65.7-44.7179.7-176.90000111.5Y195 H196 A219 S225Y195-S221 VanDerWaalsContact O-CB 3.25Å; Y195-S221 WeakPolarHBondContact O-CB 3.25Å; Y195-S221 PolarHBondContact O-N 2.87Å; H196-S221 PolarHBondContact CE1-OG 3.09Å; A219-S221 PolarHBondContact O-N 3.49Å; S221-S225 WeakPolarHBondContact O-CB 3.42Å; S221-S225 PolarHBondContact O-N 2.69Å; S221-S225 PolarHBondContact O-OG 3.46Å
222Q97.2Very high96.7Very high31 Ų3131.9 Ų31.915%0.14515%0.148CC..Hα-helixtrans-66.6-39.6174.2-68.574.724.700110.9H196 V218 A219 S225 Y226 I445 I452H196-Q222 PolarHBondContact O-OE1 2.95Å; V218-Q222 HydrophobicContact CG1-CB 4.37Å; A219-Q222 PolarHBondContact O-N 3.22Å; Q222-S225 PolarHBondContact O-N 3.32Å; Q222-Y226 VanDerWaalsContact O-CB 3.23Å; Q222-Y226 WeakPolarHBondContact O-CB 3.28Å; Q222-Y226 PolarHBondContact O-N 2.93Å; Q222-I445 HydrophobicContact CB-CD1 3.96Å; Q222-I452 HydrophobicContact CB-CD1 4.06Å; Q222-I452 HydrophobicContact CG-CD1 4.37Å
223A97.4Very high96.7Very high5 Ų537 Ų374%0.04118%0.175CC..Hα-helixtrans-63.8-43.6177.300000112.4A219 G220 Y226 L227 L251 I445A219-A223 PolarHBondContact O-N 3.36Å; G220-A223 PolarHBondContact O-N 2.8Å; A223-Y226 PolarHBondContact O-N 3.17Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 PolarHBondContact O-N 2.88Å; A223-L251 HydrophobicContact CB-CD1 4.22Å; A223-L251 HydrophobicContact CB-CD2 3.65Å; A223-I445 VanDerWaalsContact CA-CD1 3.46Å; A223-I445 HydrophobicContact CB-CD1 3.7Å; A223-I445 HydrophobicContact CB-CG1 4.34Å
224A97.3Very high96.6Very high0 Ų039.8 Ų39.80%018%0.184CC..Hα-helixtrans-66.1-42176.400000111.7G220 Y226 L227 Q228 L244 E248 L251G220-A224 WeakPolarHBondContact O-CB 3.33Å; G220-A224 PolarHBondContact O-N 3.35Å; A224-Y226 VanDerWaalsContact C-N 3.34Å; A224-Y226 PolarHBondContact O-N 3.16Å; A224-L227 PolarHBondContact O-N 2.81Å; A224-Q228 WeakPolarHBondContact O-CB 3.41Å; A224-Q228 PolarHBondContact O-N 3.17Å; A224-L244 HydrophobicContact CB-CD1 3.94Å; A224-E248 HydrophobicContact CB-CB 4.5Å; A224-E248 HydrophobicContact CB-CG 3.64Å; A224-L251 HydrophobicContact CB-CD2 4.22Å
225S97.3Very high96.5Very high34 Ų3438.5 Ų38.524%0.23818%0.178CC..Hα-helixtrans-65.3-38.2176.3-59.20000111.9S221 Q222 Q228 R229S221-S225 WeakPolarHBondContact O-CB 3.42Å; S221-S225 PolarHBondContact O-N 2.69Å; S221-S225 PolarHBondContact O-OG 3.46Å; Q222-S225 PolarHBondContact O-N 3.32Å; S225-Q228 WeakPolarHBondContact O-CB 3.16Å; S225-Q228 PolarHBondContact O-N 3.33Å; S225-R229 WeakPolarHBondContact O-CG 3.29Å; S225-R229 PolarHBondContact O-N 2.82Å
226Y97.9Very high96.4Very high26 Ų2638.1 Ų38.110%0.10219%0.188CC..Hα-helixtrans-66-47.3175.8-178.9-138.4000111.2Q222 A223 A224 Q228 R229 L230 R441 C442 I445 I452Q222-Y226 VanDerWaalsContact O-CB 3.23Å; Q222-Y226 WeakPolarHBondContact O-CB 3.28Å; Q222-Y226 PolarHBondContact O-N 2.93Å; A223-Y226 PolarHBondContact O-N 3.17Å; A224-Y226 VanDerWaalsContact C-N 3.34Å; A224-Y226 PolarHBondContact O-N 3.16Å; Y226-Q228 VanDerWaalsContact C-N 3.29Å; Y226-Q228 PolarHBondContact O-N 2.99Å; Y226-R229 PolarHBondContact O-N 2.82Å; Y226-L230 HydrophobicContact CD1-CD1 4.2Å; Y226-L230 HydrophobicContact CD2-CD1 4.23Å; Y226-L230 HydrophobicContact CD2-CD2 4.5Å; Y226-L230 HydrophobicContact CD2-CG 4.03Å; Y226-L230 HydrophobicContact CE1-CD1 3.85Å; Y226-L230 HydrophobicContact CE2-CD1 3.91Å; Y226-L230 HydrophobicContact CE2-CD2 3.83Å; Y226-L230 HydrophobicContact CE2-CG 3.79Å; Y226-L230 HydrophobicContact CG-CD1 4.38Å; Y226-L230 WeakPolarHBondContact O-CG 3.32Å; Y226-L230 PolarHBondContact O-N 2.94Å; Y226-R441 HydrophobicContact CE1-CG 4.11Å; Y226-R441 PolarHBondContact OH-NE 3.07Å; Y226-C442 HydrophobicContact CD1-CB 4.43Å; Y226-I445 HydrophobicContact CD1-CG2 3.77Å; Y226-I445 HydrophobicContact CE1-CG2 3.97Å; Y226-I452 HydrophobicContact CD1-CG2 3.82Å; Y226-I452 HydrophobicContact CD2-CG2 3.67Å; Y226-I452 HydrophobicContact CE1-CG2 4.2Å; Y226-I452 HydrophobicContact CE2-CG2 4.05Å; Y226-I452 HydrophobicContact CG-CG2 3.54Å
227L97.9Very high96.1Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-56.7-44.2174.3179.758.8000111.8A223 A224 L230 L231 M247 L250 L251 E438 C442A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 PolarHBondContact O-N 2.88Å; A224-L227 PolarHBondContact O-N 2.81Å; L227-L230 PolarHBondContact O-N 2.78Å; L227-L231 HydrophobicContact CD1-CD1 3.78Å; L227-L231 HydrophobicContact CD1-CG 4.06Å; L227-L231 HydrophobicContact CG-CD1 4.13Å; L227-L231 WeakPolarHBondContact O-CG 3.18Å; L227-L231 PolarHBondContact O-N 2.96Å; L227-M247 HydrophobicContact CD2-CB 4.26Å; L227-M247 WeakPolarHBondContact CD2-O 3.4Å; L227-M247 HydrophobicContact CD2-SD 4.49Å; L227-M247 HydrophobicContact CG-CB 4.41Å; L227-M247 HydrophobicContact CG-SD 4.19Å; L227-L250 HydrophobicContact CD1-CD2 4.49Å; L227-L250 HydrophobicContact CD2-CB 4.12Å; L227-L250 HydrophobicContact CD2-CD2 3.74Å; L227-L250 HydrophobicContact CD2-CG 4.37Å; L227-L251 HydrophobicContact CD2-CB 4.17Å; L227-E438 HydrophobicContact CD1-CB 3.93Å; L227-C442 VanDerWaalsContact CA-SG 3.54Å; L227-C442 HydrophobicContact CB-CB 4.29Å; L227-C442 VanDerWaalsContact CB-SG 3.54Å
228Q97.4Very high96.1Very high39 Ų3939.5 Ų39.518%0.18221%0.208CC..Hα-helixtrans-56.9-52.5176.1-167.3-172.913.200111.3A224 S225 Y226 L230 L231 Q232 I242 M247A224-Q228 WeakPolarHBondContact O-CB 3.41Å; A224-Q228 PolarHBondContact O-N 3.17Å; S225-Q228 WeakPolarHBondContact O-CB 3.16Å; S225-Q228 PolarHBondContact O-N 3.33Å; Y226-Q228 VanDerWaalsContact C-N 3.29Å; Y226-Q228 PolarHBondContact O-N 2.99Å; Q228-L230 PolarHBondContact O-N 2.93Å; Q228-L231 PolarHBondContact O-N 3.01Å; Q228-Q232 HydrophobicContact CG-CG 4.4Å; Q228-Q232 VanDerWaalsContact O-CB 3.28Å; Q228-Q232 WeakPolarHBondContact O-CB 3.46Å; Q228-Q232 VanDerWaalsContact O-CG 3.23Å; Q228-Q232 WeakPolarHBondContact O-CG 3.41Å; Q228-Q232 PolarHBondContact O-N 3.37Å; Q228-I242 HydrophobicContact CG-CG2 4.08Å; Q228-I242 PolarHBondContact NE2-O 2.99Å; Q228-M247 HydrophobicContact CB-CB 4.29Å; Q228-M247 HydrophobicContact CB-CG 3.71Å; Q228-M247 HydrophobicContact CG-CG 3.94Å
229R97.3Very high95.9Very high172 Ų17243.6 Ų43.665%0.64923%0.229SC*.Hα-helixtrans-62.1-42.4-179.7-71175.4-176.91791.6111.9S225 Y226 Q232 L233S225-R229 WeakPolarHBondContact O-CG 3.29Å; S225-R229 PolarHBondContact O-N 2.82Å; Y226-R229 PolarHBondContact O-N 2.82Å; R229-Q232 PolarHBondContact O-N 3.44Å; R229-L233 WeakPolarHBondContact O-CB 3.39Å; R229-L233 VanDerWaalsContact O-CG 3.26Å; R229-L233 WeakPolarHBondContact O-CG 3.18Å; R229-L233 PolarHBondContact O-N 3.35Å
230L97.3Very high95.6Very high38 Ų3847.6 Ų47.620%0.19926%0.263CS..Hα-helixtrans-60-47.4176.9-72179.2000111.8Y226 L227 Q228 L233 K234 E438Y226-L230 HydrophobicContact CD1-CD1 4.2Å; Y226-L230 HydrophobicContact CD2-CD1 4.23Å; Y226-L230 HydrophobicContact CD2-CD2 4.5Å; Y226-L230 HydrophobicContact CD2-CG 4.03Å; Y226-L230 HydrophobicContact CE1-CD1 3.85Å; Y226-L230 HydrophobicContact CE2-CD1 3.91Å; Y226-L230 HydrophobicContact CE2-CD2 3.83Å; Y226-L230 HydrophobicContact CE2-CG 3.79Å; Y226-L230 HydrophobicContact CG-CD1 4.38Å; Y226-L230 WeakPolarHBondContact O-CG 3.32Å; Y226-L230 PolarHBondContact O-N 2.94Å; L227-L230 PolarHBondContact O-N 2.78Å; Q228-L230 PolarHBondContact O-N 2.93Å; L230-L233 PolarHBondContact O-N 2.96Å; L230-K234 WeakPolarHBondContact O-CB 3.29Å; L230-K234 PolarHBondContact O-N 3.23Å; L230-E438 HydrophobicContact CD1-CG 4.38Å
231L97.4Very high95.3Very high0 Ų048.4 Ų48.40%027%0.269CS..Hα-helixtrans-72.2-33.5-179.2-69.3178.3000112.4L227 Q228 K234 Y235 I242 M247 L250 V435 E438L227-L231 HydrophobicContact CD1-CD1 3.78Å; L227-L231 HydrophobicContact CD1-CG 4.06Å; L227-L231 HydrophobicContact CG-CD1 4.13Å; L227-L231 WeakPolarHBondContact O-CG 3.18Å; L227-L231 PolarHBondContact O-N 2.96Å; Q228-L231 PolarHBondContact O-N 3.01Å; L231-K234 HydrophobicContact CD2-CD 4.42Å; L231-K234 PolarHBondContact O-N 3.3Å; L231-Y235 HydrophobicContact CD2-CD2 4.43Å; L231-Y235 HydrophobicContact CD2-CE2 4.16Å; L231-Y235 WeakPolarHBondContact O-CD2 3.4Å; L231-Y235 PolarHBondContact O-N 3.47Å; L231-I242 HydrophobicContact CB-CD1 4.25Å; L231-I242 HydrophobicContact CB-CG2 4.04Å; L231-M247 HydrophobicContact CD1-CE 4.49Å; L231-M247 HydrophobicContact CD1-SD 3.54Å; L231-M247 VanDerWaalsContact CD1-SD 3.54Å; L231-L250 HydrophobicContact CD1-CD1 4.17Å; L231-V435 HydrophobicContact CD1-CG2 4.29Å; L231-V435 HydrophobicContact CD2-CG2 4.18Å; L231-E438 HydrophobicContact CD2-CG 4.49Å
232Q96.5Very high95.2Very high50 Ų5047.9 Ų47.923%0.23427%0.265CS..Hα-helixtrans-63.4-40.5172.7-79.8-177.6-18.700112.3Q228 R229 Y235 L239 I242Q228-Q232 HydrophobicContact CG-CG 4.4Å; Q228-Q232 VanDerWaalsContact O-CB 3.28Å; Q228-Q232 WeakPolarHBondContact O-CB 3.46Å; Q228-Q232 VanDerWaalsContact O-CG 3.23Å; Q228-Q232 WeakPolarHBondContact O-CG 3.41Å; Q228-Q232 PolarHBondContact O-N 3.37Å; R229-Q232 PolarHBondContact O-N 3.44Å; Q232-Y235 CarbonylContact O-C 3.59Å; Q232-L239 HydrophobicContact CB-CD2 3.37Å; Q232-L239 HydrophobicContact CG-CD2 3.52Å; Q232-I242 HydrophobicContact CG-CB 3.97Å; Q232-I242 HydrophobicContact CG-CD1 4.39Å; Q232-I242 HydrophobicContact CG-CG2 3.81Å; Q232-I242 PolarHBondContact NE2-O 2.9Å
233L96.4Very high95Very high139 Ų13946.7 Ų46.773%0.72826%0.261SS*.Hα-helixtrans-68-37.7174.3-71.5169000112R229 L230R229-L233 WeakPolarHBondContact O-CB 3.39Å; R229-L233 VanDerWaalsContact O-CG 3.26Å; R229-L233 WeakPolarHBondContact O-CG 3.18Å; R229-L233 PolarHBondContact O-N 3.35Å; L230-L233 PolarHBondContact O-N 2.96Å
234K96Very high94.7Very high82 Ų8249.1 Ų49.136%0.35727%0.272SS..Hα-helixtrans-72-33177.8-170.1175.1-177.3178.70112.9L230 L231 F434 E438L230-K234 WeakPolarHBondContact O-CB 3.29Å; L230-K234 PolarHBondContact O-N 3.23Å; L231-K234 HydrophobicContact CD2-CD 4.42Å; L231-K234 PolarHBondContact O-N 3.3Å; K234-F434 PolarHBondContact NZ-O 3.3Å; K234-E438 WeakPolarHBondContact CD-OE1 3.23Å; K234-E438 IonicContact NZ-OE1 3.86Å; K234-E438 PolarHBondContact NZ-OE1 3.46Å; K234-E438 IonicContact NZ-OE2 3.37Å
235Y95.4Very high94.5Very high40 Ų4050.4 Ų50.416%0.15728%0.282CS..  trans-130.673.2-178.2-56.8-80.5000112.6L231 Q232 G237 H238 L433 F434L231-Y235 HydrophobicContact CD2-CD2 4.43Å; L231-Y235 HydrophobicContact CD2-CE2 4.16Å; L231-Y235 WeakPolarHBondContact O-CD2 3.4Å; L231-Y235 PolarHBondContact O-N 3.47Å; Q232-Y235 CarbonylContact O-C 3.59Å; Y235-G237 PolarHBondContact O-N 2.97Å; Y235-G237 VanDerWaalsContact O-N 3.16Å; Y235-H238 PolarHBondContact O-N 3.32Å; Y235-L433 HydrophobicContact CD1-CD2 4.22Å; Y235-L433 HydrophobicContact CD2-CD2 3.44Å; Y235-L433 VanDerWaalsContact CD2-CD2 3.44Å; Y235-L433 HydrophobicContact CE2-CB 4.27Å; Y235-L433 HydrophobicContact CE2-CD2 3.82Å; Y235-L433 HydrophobicContact CG-CD2 3.66Å; Y235-F434 WeakPolarHBondContact OH-CA 3.47Å; Y235-F434 VanDerWaalsContact OH-CB 3.28Å; Y235-F434 WeakPolarHBondContact OH-CB 3.49Å; Y235-F434 PolarHBondContact OH-N 3.49Å; Y235-F434 PolarHBondContact OH-O 3Å
236P93Very high94.2Very high87 Ų8749.8 Ų49.857%0.56527%0.274SS*.G310 helixtrans-61.5-24.6-179-24.834.9000114.7H238 L239P236-H238 PolarHBondContact O-N 2.89Å; P236-L239 VanDerWaalsContact O-CG 3.31Å; P236-L239 WeakPolarHBondContact O-CG 3.44Å
237G90.1Very high94.1Very high58 Ų5848.6 Ų48.660%0.59827%0.269SS*.G310 helixtrans-69-15.7175.300000114.1Y235Y235-G237 PolarHBondContact O-N 2.97Å; Y235-G237 VanDerWaalsContact O-N 3.16Å
238H92.5Very high93.9Very high12 Ų1248.8 Ų48.86%0.05627%0.27CS..G310 helixtrans-115.916-171.7-63.5-51.7000113.4Y235 P236 A240 A241 I242 L283 Y430 H431Y235-H238 PolarHBondContact O-N 3.32Å; P236-H238 PolarHBondContact O-N 2.89Å; H238-A240 VanDerWaalsContact C-N 3.28Å; H238-A240 PolarHBondContact O-N 3.43Å; H238-A240 VanDerWaalsContact O-N 3.17Å; H238-A241 WeakPolarHBondContact O-CA 3.29Å; H238-A241 PolarHBondContact O-N 3.18Å; H238-I242 HydrophobicContact CB-CD1 3.96Å; H238-I242 HydrophobicContact CB-CG1 4.26Å; H238-I242 WeakPolarHBondContact O-CG1 3.44Å; H238-I242 PolarHBondContact O-N 3.28Å; H238-L283 HydrophobicContact CB-CD1 3.76Å; H238-Y430 AromaticContact CE1-CD1 3.65Å; H238-Y430 AromaticContact CE1-CE1 3.35Å; H238-Y430 WeakPolarHBondContact CE1-CE1 3.49Å; H238-Y430 PolarHBondContact CE1-O 3.23Å; H238-Y430 AromaticContact NE2-CD1 3.94Å; H238-Y430 AromaticContact NE2-CE1 3.73Å; H238-Y430 PolarHBondContact NE2-O 3.38Å; H238-H431 AromaticContact CE1-CD2 3.59Å; H238-H431 AromaticContact CE1-CG 3.95Å; H238-H431 AromaticContact ND1-CD2 3.93Å
239L91.1Very high93.7Very high86 Ų8647.9 Ų47.945%0.4527%0.266SS..THydrogen-bonded Turntrans-48.6-47.2-176.9-69174.4000113.1Q232 P236 A241 I242Q232-L239 HydrophobicContact CB-CD2 3.37Å; Q232-L239 HydrophobicContact CG-CD2 3.52Å; P236-L239 VanDerWaalsContact O-CG 3.31Å; P236-L239 WeakPolarHBondContact O-CG 3.44Å; L239-A241 VanDerWaalsContact C-N 3.26Å; L239-A241 PolarHBondContact O-N 2.94Å; L239-I242 PolarHBondContact O-N 2.94Å
240A89.4Confident93.6Very high86 Ų8639.7 Ų39.771%0.71124%0.235SC*.THydrogen-bonded Turntrans-67.7-24.1-179.100000113.7H238 T243H238-A240 VanDerWaalsContact C-N 3.28Å; H238-A240 PolarHBondContact O-N 3.43Å; H238-A240 VanDerWaalsContact O-N 3.17Å; A240-T243 WeakPolarHBondContact O-CG2 3.26Å
241A90.3Very high93.5Very high19 Ų1938 Ų3816%0.15723%0.226CC..THydrogen-bonded Turntrans-91-21.4179.200000112.5H238 L239 T243 R246 L283H238-A241 WeakPolarHBondContact O-CA 3.29Å; H238-A241 PolarHBondContact O-N 3.18Å; L239-A241 VanDerWaalsContact C-N 3.26Å; L239-A241 PolarHBondContact O-N 2.94Å; A241-T243 PolarHBondContact O-N 3.42Å; A241-R246 WeakPolarHBondContact O-CD 3.22Å; A241-R246 PolarHBondContact O-NH1 2.86Å; A241-L283 HydrophobicContact CB-CD1 3.99Å; A241-L283 HydrophobicContact CB-CD2 3.93Å; A241-L283 HydrophobicContact CB-CG 4.42Å
242I93.6Very high93.3Very high1 Ų142 Ų421%0.00525%0.245CC..SBendtrans-88.278.4177.4-58.9166.1000109Q228 L231 Q232 H238 L239 M247 L433Q228-I242 HydrophobicContact CG-CG2 4.08Å; Q228-I242 PolarHBondContact NE2-O 2.99Å; L231-I242 HydrophobicContact CB-CD1 4.25Å; L231-I242 HydrophobicContact CB-CG2 4.04Å; Q232-I242 HydrophobicContact CG-CB 3.97Å; Q232-I242 HydrophobicContact CG-CD1 4.39Å; Q232-I242 HydrophobicContact CG-CG2 3.81Å; Q232-I242 PolarHBondContact NE2-O 2.9Å; H238-I242 HydrophobicContact CB-CD1 3.96Å; H238-I242 HydrophobicContact CB-CG1 4.26Å; H238-I242 WeakPolarHBondContact O-CG1 3.44Å; H238-I242 PolarHBondContact O-N 3.28Å; L239-I242 PolarHBondContact O-N 2.94Å; I242-M247 HydrophobicContact CG2-CE 3.88Å; I242-M247 HydrophobicContact CG2-CG 4.12Å; I242-M247 HydrophobicContact CG2-SD 3.68Å; I242-L433 HydrophobicContact CD1-CD2 4.18Å; I242-L433 HydrophobicContact CG1-CD1 4.14Å; I242-L433 HydrophobicContact CG1-CD2 4.48Å
243T92.8Very high93.2Very high7 Ų745.6 Ų45.64%0.04326%0.256CS..  trans-96.7154.7-175.963.50000111.8E91 A240 A241 S245 R246 M247E91-T243 VanDerWaalsContact CD-OG1 3.24Å; E91-T243 WeakPolarHBondContact OE1-CB 3.36Å; E91-T243 PolarHBondContact OE1-OG1 3.02Å; E91-T243 VanDerWaalsContact OE2-CB 3.32Å; E91-T243 WeakPolarHBondContact OE2-CB 3.39Å; E91-T243 WeakPolarHBondContact OE2-CG2 3.25Å; E91-T243 PolarHBondContact OE2-OG1 3.28Å; A240-T243 WeakPolarHBondContact O-CG2 3.26Å; A241-T243 PolarHBondContact O-N 3.42Å; T243-S245 VanDerWaalsContact C-N 3.34Å; T243-S245 PolarHBondContact O-N 3.08Å; T243-R246 PolarHBondContact O-N 3.23Å; T243-R246 VanDerWaalsContact O-N 3.17Å; T243-R246 WeakPolarHBondContact OG1-CG 3.22Å; T243-M247 VanDerWaalsContact O-CG 3.3Å; T243-M247 WeakPolarHBondContact O-CG 3.47Å; T243-M247 PolarHBondContact O-N 3.06Å
244L92.4Very high93.1Very high55 Ų5540.2 Ų40.229%0.28823%0.227SC..Hα-helixtrans-58.1-43.7-176-17664.2000112.6A224 R246 M247 E248A224-L244 HydrophobicContact CB-CD1 3.94Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 3.3Å; L244-M247 PolarHBondContact O-N 3.45Å; L244-M247 VanDerWaalsContact O-N 3.09Å; L244-E248 WeakPolarHBondContact O-CG 3.48Å; L244-E248 PolarHBondContact O-N 3.21Å
245S91.6Very high93.1Very high28 Ų2836.5 Ų36.520%0.19621%0.212CC..Hα-helixtrans-55.6-44176.119.20000113E91 T243 E248 E249E91-S245 PolarHBondContact OE1-OG 3.42Å; T243-S245 VanDerWaalsContact C-N 3.34Å; T243-S245 PolarHBondContact O-N 3.08Å; S245-E248 PolarHBondContact O-N 3.42Å; S245-E249 PolarHBondContact O-N 3.05Å; S245-E249 VanDerWaalsContact O-N 3.13Å
246R92.1Very high93.2Very high21 Ų2136.3 Ų36.38%0.07921%0.211CC..Hα-helixtrans-67.7-38175.8-75.7179.8178.3144.97.9111.9F14 D16 A241 T243 L244 E249 L250F14-R246 HydrophobicContact CD1-CB 3.9Å; F14-R246 HydrophobicContact CD1-CG 3.92Å; F14-R246 HydrophobicContact CD2-CG 4.48Å; F14-R246 HydrophobicContact CE1-CB 3.61Å; F14-R246 HydrophobicContact CE1-CG 4.12Å; F14-R246 WeakPolarHBondContact CE1-O 3.33Å; F14-R246 HydrophobicContact CG-CB 4.5Å; F14-R246 HydrophobicContact CG-CG 4.11Å; F14-R246 HydrophobicContact CZ-CB 3.96Å; F14-R246 HydrophobicContact CZ-CG 4.47Å; D16-R246 IonicContact OD1-CZ 3.73Å; D16-R246 IonicContact OD1-NE 3.17Å; D16-R246 PolarHBondContact OD1-NE 2.84Å; D16-R246 IonicContact OD1-NH2 2.69Å; D16-R246 PolarHBondContact OD1-NH2 3.36Å; D16-R246 IonicContact OD2-CZ 2.88Å; D16-R246 IonicContact OD2-NE 3.92Å; D16-R246 IonicContact OD2-NH2 2.82Å; D16-R246 PolarHBondContact OD2-NH2 2.88Å; A241-R246 WeakPolarHBondContact O-CD 3.22Å; A241-R246 PolarHBondContact O-NH1 2.86Å; T243-R246 PolarHBondContact O-N 3.23Å; T243-R246 VanDerWaalsContact O-N 3.17Å; T243-R246 WeakPolarHBondContact OG1-CG 3.22Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 3.3Å; R246-E249 WeakPolarHBondContact O-CB 2.99Å; R246-E249 PolarHBondContact O-N 3.12Å; R246-L250 WeakPolarHBondContact O-CB 3.44Å; R246-L250 PolarHBondContact O-N 3.3Å
247M95.4Very high93.4Very high0 Ų032.3 Ų32.30%019%0.185CC..Hα-helixtrans-69.8-34.8178.5-61-54.4101.900112.1F14 L227 Q228 L231 I242 T243 L244 L250 L251F14-M247 HydrophobicContact CE1-CE 4.31Å; F14-M247 HydrophobicContact CZ-CE 3.86Å; L227-M247 HydrophobicContact CD2-CB 4.26Å; L227-M247 WeakPolarHBondContact CD2-O 3.4Å; L227-M247 HydrophobicContact CD2-SD 4.49Å; L227-M247 HydrophobicContact CG-CB 4.41Å; L227-M247 HydrophobicContact CG-SD 4.19Å; Q228-M247 HydrophobicContact CB-CB 4.29Å; Q228-M247 HydrophobicContact CB-CG 3.71Å; Q228-M247 HydrophobicContact CG-CG 3.94Å; L231-M247 HydrophobicContact CD1-CE 4.49Å; L231-M247 HydrophobicContact CD1-SD 3.54Å; L231-M247 VanDerWaalsContact CD1-SD 3.54Å; I242-M247 HydrophobicContact CG2-CE 3.88Å; I242-M247 HydrophobicContact CG2-CG 4.12Å; I242-M247 HydrophobicContact CG2-SD 3.68Å; T243-M247 VanDerWaalsContact O-CG 3.3Å; T243-M247 WeakPolarHBondContact O-CG 3.47Å; T243-M247 PolarHBondContact O-N 3.06Å; L244-M247 PolarHBondContact O-N 3.45Å; L244-M247 VanDerWaalsContact O-N 3.09Å; M247-L250 HydrophobicContact CE-CD1 4.46Å; M247-L250 PolarHBondContact O-N 3.07Å; M247-L251 VanDerWaalsContact O-CB 3.24Å; M247-L251 WeakPolarHBondContact O-CB 3.5Å; M247-L251 PolarHBondContact O-N 3.3Å
248E94.5Very high93.7Very high4 Ų429.6 Ų29.62%0.01916%0.157CC..Hα-helixtrans-61.8-43.1169.7-68.2163.8174.500111.5R67 Y195 A224 L244 S245 L250 L251 H252R67-E248 IonicContact CZ-OE1 3.71Å; R67-E248 IonicContact CZ-OE2 3.01Å; R67-E248 IonicContact NH1-OE2 3.55Å; R67-E248 PolarHBondContact NH1-OE2 2.85Å; R67-E248 IonicContact NH2-OE1 3.17Å; R67-E248 PolarHBondContact NH2-OE1 2.94Å; R67-E248 IonicContact NH2-OE2 2.76Å; R67-E248 PolarHBondContact NH2-OE2 2.97Å; Y195-E248 PolarHBondContact OH-OE1 2.73Å; A224-E248 HydrophobicContact CB-CB 4.5Å; A224-E248 HydrophobicContact CB-CG 3.64Å; L244-E248 WeakPolarHBondContact O-CG 3.48Å; L244-E248 PolarHBondContact O-N 3.21Å; S245-E248 PolarHBondContact O-N 3.42Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L251 PolarHBondContact O-N 2.87Å; E248-H252 WeakPolarHBondContact O-CB 3.38Å; E248-H252 PolarHBondContact O-N 2.86Å; E248-H252 PolarHBondContact O-ND1 2.82Å
249E92.9Very high93.9Very high20 Ų2031.9 Ų31.99%0.09317%0.171CC..Hα-helixtrans-60.5-46.1174.2-176.9-177.1162.500111.2Q15 S245 R246 L251 H252 R253Q15-E249 WeakPolarHBondContact CB-OE1 3.47Å; Q15-E249 WeakPolarHBondContact CG-OE1 3.43Å; Q15-E249 PolarHBondContact N-OE1 3.24Å; Q15-E249 PolarHBondContact N-OE2 3.47Å; S245-E249 PolarHBondContact O-N 3.05Å; S245-E249 VanDerWaalsContact O-N 3.13Å; R246-E249 WeakPolarHBondContact O-CB 2.99Å; R246-E249 PolarHBondContact O-N 3.12Å; E249-L251 PolarHBondContact O-N 2.73Å; E249-H252 PolarHBondContact O-N 3.17Å; E249-R253 WeakPolarHBondContact O-CB 3.44Å; E249-R253 WeakPolarHBondContact O-CG 3.49Å; E249-R253 PolarHBondContact O-N 3.35Å; E249-R253 IonicContact OE1-NE 3.53Å
250L94.6Very high94.2Very high1 Ų130.3 Ų30.31%0.00516%0.164CC..Hα-helixtrans-60.6-47.5178.9-161.2156.3000111.1F14 L227 L231 R246 M247 E248 H252 R253 H254 I281 V435F14-L250 HydrophobicContact CE1-CB 4.38Å; F14-L250 HydrophobicContact CE1-CD1 4.43Å; F14-L250 HydrophobicContact CZ-CD1 4.26Å; L227-L250 HydrophobicContact CD1-CD2 4.49Å; L227-L250 HydrophobicContact CD2-CB 4.12Å; L227-L250 HydrophobicContact CD2-CD2 3.74Å; L227-L250 HydrophobicContact CD2-CG 4.37Å; L231-L250 HydrophobicContact CD1-CD1 4.17Å; R246-L250 WeakPolarHBondContact O-CB 3.44Å; R246-L250 PolarHBondContact O-N 3.3Å; M247-L250 HydrophobicContact CE-CD1 4.46Å; M247-L250 PolarHBondContact O-N 3.07Å; E248-L250 VanDerWaalsContact C-N 3.35Å; L250-H252 PolarHBondContact O-N 3.47Å; L250-R253 PolarHBondContact O-N 3.06Å; L250-H254 HydrophobicContact CD2-CB 4.19Å; L250-H254 WeakPolarHBondContact O-CA 3.31Å; L250-H254 WeakPolarHBondContact O-CB 3.48Å; L250-H254 PolarHBondContact O-N 2.99Å; L250-I281 HydrophobicContact CD1-CG1 3.99Å; L250-V435 HydrophobicContact CD1-CG2 4.08Å; L250-V435 HydrophobicContact CD2-CG1 3.98Å
251L95.4Very high94.5Very high1 Ų127 Ų271%0.00513%0.133CC..Hα-helixtrans-58.6-46.5177.9-177.170000111.1A223 A224 L227 M247 E248 E249 R253 S255 C442 P443 H491A223-L251 HydrophobicContact CB-CD1 4.22Å; A223-L251 HydrophobicContact CB-CD2 3.65Å; A224-L251 HydrophobicContact CB-CD2 4.22Å; L227-L251 HydrophobicContact CD2-CB 4.17Å; M247-L251 VanDerWaalsContact O-CB 3.24Å; M247-L251 WeakPolarHBondContact O-CB 3.5Å; M247-L251 PolarHBondContact O-N 3.3Å; E248-L251 PolarHBondContact O-N 2.87Å; E249-L251 PolarHBondContact O-N 2.73Å; L251-R253 PolarHBondContact O-N 3.39Å; L251-S255 WeakPolarHBondContact O-CB 3.44Å; L251-S255 PolarHBondContact O-N 2.96Å; L251-C442 HydrophobicContact CD1-CB 4.01Å; L251-P443 HydrophobicContact CD1-CG 4.14Å; L251-H491 PolarHBondContact O-CE1 2.87Å
252H93.4Very high94.8Very high85 Ų8532.2 Ų32.239%0.39415%0.154SC..Hα-helixtrans-70.5-30.5-177.8-66.2141.6000113.9F46 E248 E249 L250F46-H252 AromaticContact CE1-CE1 3.89Å; F46-H252 AromaticContact CZ-CE1 3.8Å; E248-H252 WeakPolarHBondContact O-CB 3.38Å; E248-H252 PolarHBondContact O-N 2.86Å; E248-H252 PolarHBondContact O-ND1 2.82Å; E249-H252 PolarHBondContact O-N 3.17Å; L250-H252 PolarHBondContact O-N 3.47Å
253R93.4Very high94.9Very high126 Ų12637.3 Ų37.348%0.47518%0.178SC..Hα-helixtrans-103.1-28.5-170.9-66.7-178.5176.6-1332114.9Q15 E249 L250 L251Q15-R253 VanDerWaalsContact CD-CZ 3.43Å; Q15-R253 VanDerWaalsContact CD-NH2 3.34Å; Q15-R253 VanDerWaalsContact OE1-NH1 3.09Å; E249-R253 WeakPolarHBondContact O-CB 3.44Å; E249-R253 WeakPolarHBondContact O-CG 3.49Å; E249-R253 PolarHBondContact O-N 3.35Å; E249-R253 IonicContact OE1-NE 3.53Å; L250-R253 PolarHBondContact O-N 3.06Å; L251-R253 PolarHBondContact O-N 3.39Å
254H94.9Very high95Very high26 Ų2638.5 Ų38.512%0.1218%0.183CC..Hα-helixtrans-120.2-11-169.1-61.7-64.7000113F12 L250 H279 R439F12-H254 AromaticContact CD1-CE1 3.67Å; F12-H254 AromaticContact CG-CE1 3.71Å; L250-H254 HydrophobicContact CD2-CB 4.19Å; L250-H254 WeakPolarHBondContact O-CA 3.31Å; L250-H254 WeakPolarHBondContact O-CB 3.48Å; L250-H254 PolarHBondContact O-N 2.99Å; H254-H279 WeakPolarHBondContact CB-ND1 3.49Å; H254-H279 AromaticContact CG-ND1 3.46Å; H254-H279 AromaticContact ND1-CE1 3.42Å; H254-H279 PolarHBondContact ND1-CE1 3.25Å; H254-H279 AromaticContact ND1-ND1 3.06Å; H254-H279 PolarHBondContact ND1-ND1 2.99Å; H254-R439 PolarHBondContact O-NE 3.02Å; H254-R439 PolarHBondContact O-NH2 3.2Å
255S96.4Very high95.2Very high4 Ų438.3 Ų38.33%0.02818%0.182CC..  trans-96.2155.5178.4-59.20000113.1L251 R439L251-S255 WeakPolarHBondContact O-CB 3.44Å; L251-S255 PolarHBondContact O-N 2.96Å; S255-R439 WeakPolarHBondContact CA-O 3.45Å; S255-R439 WeakPolarHBondContact CB-O 3.35Å; S255-R439 PolarHBondContact OG-O 3.33Å
256Y97.4Very high95.5Very high36 Ų3642.3 Ų42.314%0.14120%0.197CC..  trans-146159-179.164.4-87.7000110.5A258 E264 W268 R439 L440Y256-A258 HydrophobicContact CE2-CB 4.47Å; Y256-E264 HydrophobicContact CE2-CG 4.35Å; Y256-E264 PolarHBondContact OH-OE1 3.22Å; Y256-W268 PolarHBondContact OH-NE1 3.38Å; Y256-R439 HydrophobicContact CD1-CB 4.38Å; Y256-R439 HydrophobicContact CE1-CB 4.16Å; Y256-R439 PolarHBondContact N-O 3.4Å; Y256-R439 VanDerWaalsContact N-O 3.12Å; Y256-L440 HydrophobicContact CE2-CB 4.04Å
257A97.2Very high95.6Very high2 Ų244.8 Ų44.82%0.01721%0.209CC..  trans-91.5118.8173.200000109V259 H491 P492 M494A257-V259 PolarHBondContact O-N 3.4Å; A257-H491 HydrophobicContact CB-CB 4.42Å; A257-P492 PolarHBondContact N-O 3.36Å; A257-M494 HydrophobicContact CB-CB 4.36Å; A257-M494 HydrophobicContact CB-CE 3.91Å; A257-M494 HydrophobicContact CB-SD 4.37Å
258A96.9Very high95.6Very high2 Ų245.6 Ų45.62%0.01721%0.212CC..  trans-68.3130.2176.700000109.8Y256 Y261 E264 L440 R497Y256-A258 HydrophobicContact CE2-CB 4.47Å; A258-Y261 HydrophobicContact CB-CD2 4.49Å; A258-E264 HydrophobicContact CB-CB 3.97Å; A258-E264 HydrophobicContact CB-CG 4.14Å; A258-L440 HydrophobicContact CB-CB 4.31Å; A258-L440 HydrophobicContact CB-CD1 3.95Å; A258-R497 WeakPolarHBondContact O-CD 3.33Å; A258-R497 PolarHBondContact O-NH1 2.63Å
259V96.8Very high95.7Very high59 Ų5954 Ų5436%0.35824%0.243SC..SBendtrans-63.1-51.7175.5178.40000109.3A257 E496 R497 R500A257-V259 PolarHBondContact O-N 3.4Å; V259-E496 HydrophobicContact CG1-CB 4.48Å; V259-E496 HydrophobicContact CG2-CB 3.66Å; V259-R497 WeakPolarHBondContact O-CD 3.4Å; V259-R500 HydrophobicContact CG1-CB 4.5Å; V259-R500 PolarHBondContact O-NE 3.2Å; V259-R500 PolarHBondContact O-NH1 2.83Å; V259-R500 PolarHBondContact O-NH2 3.22Å
260D96.8Very high95.7Very high54 Ų5455.4 Ų55.429%0.28926%0.255SS..SBendtrans-113.6110.9165.8-168.7-48.6000110.1H262 E263 E264 R500D260-H262 PolarHBondContact OD1-N 2.77Å; D260-E263 HydrophobicContact CB-CB 3.77Å; D260-E263 PolarHBondContact OD1-N 2.88Å; D260-E264 WeakPolarHBondContact O-CB 3.33Å; D260-E264 PolarHBondContact O-N 2.89Å; D260-R500 IonicContact OD1-NH1 2.73Å; D260-R500 IonicContact OD2-CZ 3.51Å; D260-R500 IonicContact OD2-NH1 2.85Å; D260-R500 PolarHBondContact OD2-NH1 2.91Å
261Y96.3Very high95.7Very high17 Ų1759.2 Ų59.27%0.06728%0.279CS..Hα-helixtrans-63.3-42.6-177.5-175.1-109.9000113.1A258 L265 L440 E444A258-Y261 HydrophobicContact CB-CD2 4.49Å; Y261-L265 HydrophobicContact CD1-CD1 3.92Å; Y261-L265 HydrophobicContact CE1-CD1 3.42Å; Y261-L265 VanDerWaalsContact CE1-CD1 3.42Å; Y261-L265 HydrophobicContact CE1-CG 4.27Å; Y261-L265 HydrophobicContact CE2-CD1 4.37Å; Y261-L265 HydrophobicContact CE2-CG 4.41Å; Y261-L265 VanDerWaalsContact O-CG 3.29Å; Y261-L265 WeakPolarHBondContact O-CG 3.46Å; Y261-L265 PolarHBondContact O-N 2.85Å; Y261-L440 HydrophobicContact CD2-CD1 3.74Å; Y261-L440 HydrophobicContact CE2-CD1 3.67Å; Y261-L440 HydrophobicContact CE2-CG 4.3Å; Y261-E444 HydrophobicContact CD1-CG 4.27Å; Y261-E444 HydrophobicContact CD2-CB 4.03Å; Y261-E444 HydrophobicContact CD2-CG 3.59Å; Y261-E444 WeakPolarHBondContact CD2-OE2 3.45Å; Y261-E444 HydrophobicContact CE1-CG 4.29Å; Y261-E444 HydrophobicContact CE2-CB 3.81Å; Y261-E444 HydrophobicContact CE2-CG 3.66Å; Y261-E444 HydrophobicContact CG-CG 3.93Å
262H95.7Very high95.6Very high127 Ų12765.3 Ų65.359%0.58831%0.308SS*.Hα-helixtrans-73-44-176.9-73.7-69.3000111.6D260 E264 L265 E266D260-H262 PolarHBondContact OD1-N 2.77Å; H262-E264 VanDerWaalsContact C-N 3.32Å; H262-E264 PolarHBondContact O-N 3.35Å; H262-L265 PolarHBondContact O-N 3.45Å; H262-E266 PolarHBondContact O-N 3.18Å; H262-E266 VanDerWaalsContact O-N 3.11Å
263E95.9Very high95.5Very high109 Ų10962.6 Ų62.651%0.50930%0.295SS..Hα-helixtrans-62.4-41.6176.4-165.6-159.8129.600111.2D260 E266 K267D260-E263 HydrophobicContact CB-CB 3.77Å; D260-E263 PolarHBondContact OD1-N 2.88Å; E263-E266 PolarHBondContact O-N 3.34Å; E263-K267 PolarHBondContact O-N 3.29Å; E263-K267 VanDerWaalsContact OE1-CE 3.26Å; E263-K267 WeakPolarHBondContact OE1-CE 3.2Å; E263-K267 IonicContact OE1-NZ 2.95Å; E263-K267 PolarHBondContact OE1-NZ 3.25Å
264E96.2Very high95.5Very high32 Ų3260.7 Ų60.715%0.1529%0.289CS..Hα-helixtrans-63.8-43.3178-162.264.7-160.600110.9Y256 A258 D260 H262 E266 K267 W268 L440Y256-E264 HydrophobicContact CE2-CG 4.35Å; Y256-E264 PolarHBondContact OH-OE1 3.22Å; A258-E264 HydrophobicContact CB-CB 3.97Å; A258-E264 HydrophobicContact CB-CG 4.14Å; D260-E264 WeakPolarHBondContact O-CB 3.33Å; D260-E264 PolarHBondContact O-N 2.89Å; H262-E264 VanDerWaalsContact C-N 3.32Å; H262-E264 PolarHBondContact O-N 3.35Å; E264-E266 VanDerWaalsContact C-N 3.29Å; E264-E266 PolarHBondContact O-N 3.2Å; E264-K267 WeakPolarHBondContact O-CB 3.36Å; E264-K267 PolarHBondContact O-N 2.58Å; E264-K267 WeakPolarHBondContact OE2-CD 3.4Å; E264-K267 IonicContact OE2-NZ 2.79Å; E264-K267 PolarHBondContact OE2-NZ 2.93Å; E264-W268 PolarHBondContact O-N 3.04Å; E264-L440 HydrophobicContact CB-CD1 4.16Å; E264-L440 HydrophobicContact CG-CD1 4.05Å
265L95.9Very high95.4Very high51 Ų5165.6 Ų65.627%0.26731%0.312SS..Hα-helixtrans-58.9-36.9175-76.3179.1000113.2Y261 H262 K267 W268 T437 L440Y261-L265 HydrophobicContact CD1-CD1 3.92Å; Y261-L265 HydrophobicContact CE1-CD1 3.42Å; Y261-L265 VanDerWaalsContact CE1-CD1 3.42Å; Y261-L265 HydrophobicContact CE1-CG 4.27Å; Y261-L265 HydrophobicContact CE2-CD1 4.37Å; Y261-L265 HydrophobicContact CE2-CG 4.41Å; Y261-L265 VanDerWaalsContact O-CG 3.29Å; Y261-L265 WeakPolarHBondContact O-CG 3.46Å; Y261-L265 PolarHBondContact O-N 2.85Å; H262-L265 PolarHBondContact O-N 3.45Å; L265-K267 VanDerWaalsContact C-N 3.31Å; L265-K267 PolarHBondContact O-N 3.06Å; L265-W268 PolarHBondContact O-N 2.96Å; L265-T437 HydrophobicContact CD2-CG2 4.23Å; L265-L440 HydrophobicContact CD2-CD1 4.2Å; L265-L440 HydrophobicContact CG-CD1 4.42Å
266E96.6Very high95.1Very high111 Ų11172.8 Ų72.852%0.51934%0.338SS..Hα-helixtrans-63.8-36.7175.1-71.6-60.1145.300111.9H262 E263 E264 W268 R269H262-E266 PolarHBondContact O-N 3.18Å; H262-E266 VanDerWaalsContact O-N 3.11Å; E263-E266 PolarHBondContact O-N 3.34Å; E264-E266 VanDerWaalsContact C-N 3.29Å; E264-E266 PolarHBondContact O-N 3.2Å; E266-W268 VanDerWaalsContact C-N 3.32Å; E266-W268 PolarHBondContact O-N 3.24Å; E266-R269 VanDerWaalsContact CD-NH1 3.35Å; E266-R269 WeakPolarHBondContact O-CB 3.41Å; E266-R269 PolarHBondContact O-N 3.31Å; E266-R269 IonicContact OE1-NH1 2.92Å; E266-R269 PolarHBondContact OE1-NH1 3.24Å; E266-R269 WeakPolarHBondContact OE2-CD 3.49Å; E266-R269 IonicContact OE2-CZ 2.78Å; E266-R269 IonicContact OE2-NE 3.84Å; E266-R269 IonicContact OE2-NH1 2.66Å; E266-R269 PolarHBondContact OE2-NH1 3.43Å
267K96.1Very high94.9Very high74 Ų7473.8 Ų73.832%0.32234%0.344SS..Hα-helixtrans-61.9-40.5173.9-60.2170.2-164.41610111.5E263 E264 L265 R269 C270 F273E263-K267 PolarHBondContact O-N 3.29Å; E263-K267 VanDerWaalsContact OE1-CE 3.26Å; E263-K267 WeakPolarHBondContact OE1-CE 3.2Å; E263-K267 IonicContact OE1-NZ 2.95Å; E263-K267 PolarHBondContact OE1-NZ 3.25Å; E264-K267 WeakPolarHBondContact O-CB 3.36Å; E264-K267 PolarHBondContact O-N 2.58Å; E264-K267 WeakPolarHBondContact OE2-CD 3.4Å; E264-K267 IonicContact OE2-NZ 2.79Å; E264-K267 PolarHBondContact OE2-NZ 2.93Å; L265-K267 VanDerWaalsContact C-N 3.31Å; L265-K267 PolarHBondContact O-N 3.06Å; K267-R269 PolarHBondContact O-N 3.08Å; K267-R269 VanDerWaalsContact O-N 3.12Å; K267-C270 WeakPolarHBondContact O-CB 3.49Å; K267-C270 PolarHBondContact O-N 2.99Å; K267-C270 VanDerWaalsContact O-N 3.09Å; K267-F273 HydrophobicContact CB-CD1 4.12Å; K267-F273 HydrophobicContact CB-CD2 4.08Å; K267-F273 HydrophobicContact CB-CE1 3.91Å; K267-F273 HydrophobicContact CB-CE2 3.89Å; K267-F273 HydrophobicContact CB-CG 4.2Å; K267-F273 HydrophobicContact CB-CZ 3.78Å; K267-F273 HydrophobicContact CD-CE2 4.24Å; K267-F273 HydrophobicContact CD-CZ 4.31Å; K267-F273 WeakPolarHBondContact O-CB 3.34Å; K267-F273 WeakPolarHBondContact O-CD1 3.16Å; K267-F273 WeakPolarHBondContact O-CG 3.35Å
268W95.4Very high94.8Very high16 Ų1674.3 Ų74.36%0.06135%0.347CS..THydrogen-bonded Turntrans-65-12.7178.8-76.599.3000114.7Y256 E264 L265 E266 C270 F273 Y274 E277 G436 T437 L440Y256-W268 PolarHBondContact OH-NE1 3.38Å; E264-W268 PolarHBondContact O-N 3.04Å; L265-W268 PolarHBondContact O-N 2.96Å; E266-W268 VanDerWaalsContact C-N 3.32Å; E266-W268 PolarHBondContact O-N 3.24Å; W268-C270 VanDerWaalsContact C-N 3.34Å; W268-F273 HydrophobicContact CD2-CD1 4.19Å; W268-F273 AromaticContact CD2-CE1 3.81Å; W268-F273 HydrophobicContact CD2-CE1 3.81Å; W268-F273 AromaticContact CE2-CE1 3.78Å; W268-F273 HydrophobicContact CE3-CD1 4.38Å; W268-F273 HydrophobicContact CE3-CE1 4.34Å; W268-F273 HydrophobicContact CG-CD1 4.35Å; W268-F273 AromaticContact CG-CE1 3.99Å; W268-F273 HydrophobicContact CG-CE1 3.99Å; W268-F273 HydrophobicContact CZ2-CE1 4.32Å; W268-F273 AromaticContact NE1-CE1 3.85Å; W268-Y274 HydrophobicContact CE3-CD2 4.31Å; W268-Y274 HydrophobicContact CZ3-CD2 4.41Å; W268-E277 HydrophobicContact CH2-CB 3.65Å; W268-E277 HydrophobicContact CZ2-CB 4.13Å; W268-E277 HydrophobicContact CZ3-CB 4.05Å; W268-G436 VanDerWaalsContact CZ3-CA 3.4Å; W268-T437 HydrophobicContact CB-CG2 3.6Å; W268-T437 HydrophobicContact CD2-CG2 3.85Å; W268-T437 HydrophobicContact CE3-CG2 4.19Å; W268-T437 HydrophobicContact CG-CG2 3.59Å; W268-L440 HydrophobicContact CZ2-CD2 4.24Å
269R94.8Very high94.6Very high180 Ų18075.7 Ų75.768%0.67935%0.353SS*.THydrogen-bonded Turntrans-77.4-21.1174.1-57.2173.682.8173.95.3112.7E266 K267E266-R269 VanDerWaalsContact CD-NH1 3.35Å; E266-R269 WeakPolarHBondContact O-CB 3.41Å; E266-R269 PolarHBondContact O-N 3.31Å; E266-R269 IonicContact OE1-NH1 2.92Å; E266-R269 PolarHBondContact OE1-NH1 3.24Å; E266-R269 WeakPolarHBondContact OE2-CD 3.49Å; E266-R269 IonicContact OE2-CZ 2.78Å; E266-R269 IonicContact OE2-NE 3.84Å; E266-R269 IonicContact OE2-NH1 2.66Å; E266-R269 PolarHBondContact OE2-NH1 3.43Å; K267-R269 PolarHBondContact O-N 3.08Å; K267-R269 VanDerWaalsContact O-N 3.12Å
270C94.8Very high94.5Very high50 Ų5076.4 Ų76.434%0.33835%0.349SS..SBendtrans-76.1122.8179.21680000110.2K267 W268 E272 F273 Y274K267-C270 WeakPolarHBondContact O-CB 3.49Å; K267-C270 PolarHBondContact O-N 2.99Å; K267-C270 VanDerWaalsContact O-N 3.09Å; W268-C270 VanDerWaalsContact C-N 3.34Å; C270-E272 VanDerWaalsContact C-N 3.3Å; C270-E272 PolarHBondContact O-N 3.21Å; C270-E272 PolarHBondContact SG-OE2 2.85Å; C270-F273 HydrophobicContact CB-CB 3.9Å; C270-F273 WeakPolarHBondContact O-CB 3.43Å; C270-F273 PolarHBondContact O-N 2.84Å; C270-F273 VanDerWaalsContact O-N 3.16Å; C270-Y274 PolarHBondContact O-N 3.11Å
271P93.2Very high94.4Very high81 Ų8173.9 Ų73.953%0.52634%0.336SS..Hα-helixtrans-57.7-40.6179.9-26.235.2000113.3F273 Y274 E275P271-F273 VanDerWaalsContact C-N 3.31Å; P271-F273 PolarHBondContact O-N 3.42Å; P271-Y274 PolarHBondContact O-N 3.04Å; P271-E275 WeakPolarHBondContact O-CG 3.38Å; P271-E275 PolarHBondContact O-N 3.32Å
272E92.8Very high94.3Very high130 Ų13074.7 Ų74.761%0.60734%0.34SS*.Hα-helixtrans-65.6-36.1179.7-60.377-169.900111.8C270 R276C270-E272 VanDerWaalsContact C-N 3.3Å; C270-E272 PolarHBondContact O-N 3.21Å; C270-E272 PolarHBondContact SG-OE2 2.85Å; E272-R276 WeakPolarHBondContact O-CB 3.4Å; E272-R276 PolarHBondContact O-N 3.35Å
273F93.1Very high94.1Very high28 Ų2868.7 Ų68.712%0.12331%0.312CS..Hα-helixtrans-69.7-45.3173.8-172.7-88.6000110.7K267 W268 C270 P271 E275 R276 E277K267-F273 HydrophobicContact CB-CD1 4.12Å; K267-F273 HydrophobicContact CB-CD2 4.08Å; K267-F273 HydrophobicContact CB-CE1 3.91Å; K267-F273 HydrophobicContact CB-CE2 3.89Å; K267-F273 HydrophobicContact CB-CG 4.2Å; K267-F273 HydrophobicContact CB-CZ 3.78Å; K267-F273 HydrophobicContact CD-CE2 4.24Å; K267-F273 HydrophobicContact CD-CZ 4.31Å; K267-F273 WeakPolarHBondContact O-CB 3.34Å; K267-F273 WeakPolarHBondContact O-CD1 3.16Å; K267-F273 WeakPolarHBondContact O-CG 3.35Å; W268-F273 HydrophobicContact CD2-CD1 4.19Å; W268-F273 AromaticContact CD2-CE1 3.81Å; W268-F273 HydrophobicContact CD2-CE1 3.81Å; W268-F273 AromaticContact CE2-CE1 3.78Å; W268-F273 HydrophobicContact CE3-CD1 4.38Å; W268-F273 HydrophobicContact CE3-CE1 4.34Å; W268-F273 HydrophobicContact CG-CD1 4.35Å; W268-F273 AromaticContact CG-CE1 3.99Å; W268-F273 HydrophobicContact CG-CE1 3.99Å; W268-F273 HydrophobicContact CZ2-CE1 4.32Å; W268-F273 AromaticContact NE1-CE1 3.85Å; C270-F273 HydrophobicContact CB-CB 3.9Å; C270-F273 WeakPolarHBondContact O-CB 3.43Å; C270-F273 PolarHBondContact O-N 2.84Å; C270-F273 VanDerWaalsContact O-N 3.16Å; P271-F273 VanDerWaalsContact C-N 3.31Å; P271-F273 PolarHBondContact O-N 3.42Å; F273-E275 PolarHBondContact O-N 2.89Å; F273-R276 PolarHBondContact O-N 2.72Å; F273-E277 HydrophobicContact CD1-CB 4.31Å; F273-E277 HydrophobicContact CD1-CG 3.89Å; F273-E277 HydrophobicContact CD2-CG 4.16Å; F273-E277 HydrophobicContact CE1-CB 4.08Å; F273-E277 HydrophobicContact CE1-CG 3.65Å; F273-E277 HydrophobicContact CE2-CG 3.91Å; F273-E277 HydrophobicContact CG-CG 4.16Å; F273-E277 HydrophobicContact CZ-CG 3.66Å; F273-E277 WeakPolarHBondContact O-CB 3.28Å; F273-E277 WeakPolarHBondContact O-CG 3.46Å; F273-E277 PolarHBondContact O-N 2.81Å
274Y93.3Very high93.6Very high86 Ų8666.7 Ų66.734%0.33731%0.309SS..Hα-helixtrans-56.9-50.4177.5175-92000112W268 C270 P271 R276 E277 V278W268-Y274 HydrophobicContact CE3-CD2 4.31Å; W268-Y274 HydrophobicContact CZ3-CD2 4.41Å; C270-Y274 PolarHBondContact O-N 3.11Å; P271-Y274 PolarHBondContact O-N 3.04Å; Y274-R276 PolarHBondContact O-N 2.61Å; Y274-E277 PolarHBondContact O-N 3.15Å; Y274-V278 HydrophobicContact CE1-CB 4.39Å; Y274-V278 HydrophobicContact CE1-CG1 4.26Å; Y274-V278 HydrophobicContact CE2-CB 4.23Å; Y274-V278 HydrophobicContact CE2-CG2 4.1Å; Y274-V278 WeakPolarHBondContact O-CB 3.38Å; Y274-V278 WeakPolarHBondContact O-CG1 3.2Å; Y274-V278 PolarHBondContact O-N 3.37Å
275E91.1Very high92.9Very high129 Ų12969.3 Ų69.360%0.60332%0.32SS*.Hα-helixtrans-61.1-31.7-178.5-74.1-177.2177.700112.9P271 F273P271-E275 WeakPolarHBondContact O-CG 3.38Å; P271-E275 PolarHBondContact O-N 3.32Å; F273-E275 PolarHBondContact O-N 2.89Å
276R91.3Very high91.8Very high154 Ų15470.4 Ų70.458%0.58133%0.332SS*.Hα-helixtrans-80.7-41.6179.5-170.8-178.370.4-138-2.5113E272 F273 Y274E272-R276 WeakPolarHBondContact O-CB 3.4Å; E272-R276 PolarHBondContact O-N 3.35Å; F273-R276 PolarHBondContact O-N 2.72Å; Y274-R276 PolarHBondContact O-N 2.61Å
277E92.7Very high90.1Very high58 Ų5868.4 Ų68.427%0.27134%0.341SS..Hα-helixtrans-97.5-14.3-169.8-59.7-59.4148.600113.8W268 F273 Y274 H279 R439W268-E277 HydrophobicContact CH2-CB 3.65Å; W268-E277 HydrophobicContact CZ2-CB 4.13Å; W268-E277 HydrophobicContact CZ3-CB 4.05Å; F273-E277 HydrophobicContact CD1-CB 4.31Å; F273-E277 HydrophobicContact CD1-CG 3.89Å; F273-E277 HydrophobicContact CD2-CG 4.16Å; F273-E277 HydrophobicContact CE1-CB 4.08Å; F273-E277 HydrophobicContact CE1-CG 3.65Å; F273-E277 HydrophobicContact CE2-CG 3.91Å; F273-E277 HydrophobicContact CG-CG 4.16Å; F273-E277 HydrophobicContact CZ-CG 3.66Å; F273-E277 WeakPolarHBondContact O-CB 3.28Å; F273-E277 WeakPolarHBondContact O-CG 3.46Å; F273-E277 PolarHBondContact O-N 2.81Å; Y274-E277 PolarHBondContact O-N 3.15Å; E277-H279 PolarHBondContact O-CD2 3.46Å; E277-H279 PolarHBondContact O-N 3.23Å; E277-R439 PolarHBondContact O-NH1 3.3Å
278V94.4Very high88.2Confident12 Ų1273 Ų737%0.07336%0.361CS..  trans-65.4128.8177.669.10000110.7Y274 F434Y274-V278 HydrophobicContact CE1-CB 4.39Å; Y274-V278 HydrophobicContact CE1-CG1 4.26Å; Y274-V278 HydrophobicContact CE2-CB 4.23Å; Y274-V278 HydrophobicContact CE2-CG2 4.1Å; Y274-V278 WeakPolarHBondContact O-CB 3.38Å; Y274-V278 WeakPolarHBondContact O-CG1 3.2Å; Y274-V278 PolarHBondContact O-N 3.37Å; V278-F434 HydrophobicContact CG2-CB 3.95Å; V278-F434 HydrophobicContact CG2-CD1 4.35Å
279H94.6Very high86Confident31 Ų3176 Ų7614%0.14438%0.381CS..EExtended strand (participates in β ladder)trans-88.3125.7172.6-75.1-160.7000109.4F12 H254 E277 I281 V435 R439F12-H279 HydrophobicContact CD2-CB 4.17Å; F12-H279 HydrophobicContact CE2-CB 4.15Å; F12-H279 AromaticContact CE2-CD2 3.97Å; F12-H279 AromaticContact CE2-CG 3.79Å; F12-H279 AromaticContact CE2-ND1 3.95Å; H254-H279 WeakPolarHBondContact CB-ND1 3.49Å; H254-H279 AromaticContact CG-ND1 3.46Å; H254-H279 AromaticContact ND1-CE1 3.42Å; H254-H279 PolarHBondContact ND1-CE1 3.25Å; H254-H279 AromaticContact ND1-ND1 3.06Å; H254-H279 PolarHBondContact ND1-ND1 2.99Å; E277-H279 PolarHBondContact O-CD2 3.46Å; E277-H279 PolarHBondContact O-N 3.23Å; H279-I281 HydrophobicContact CB-CD1 3.99Å; H279-V435 PolarHBondContact N-O 2.85Å; H279-V435 PolarHBondContact O-N 3.33Å; H279-R439 PolarHBondContact CD2-NH1 3.33Å; H279-R439 VanDerWaalsContact CE1-CZ 3.44Å; H279-R439 PolarHBondContact CE1-NH2 2.63Å; H279-R439 PolarHBondContact NE2-NH1 3.27Å; H279-R439 PolarHBondContact NE2-NH2 3.31Å
280R94.6Very high83.6Confident75 Ų7571 Ų7128%0.28337%0.372SS..EExtended strand (participates in β ladder)trans-96.7109172.2-56.8-166.1-165.8172.4-0.4108.8C9 I11 F12 L433 F434C9-R280 WeakPolarHBondContact SG-CD 3.21Å; C9-R280 PolarHBondContact SG-NE 2.97Å; C9-R280 PolarHBondContact SG-NH1 3.14Å; I11-R280 CarbonylContact C-O 3.54Å; I11-R280 WeakPolarHBondContact CA-O 3.48Å; I11-R280 HydrophobicContact CG1-CB 4.37Å; F12-R280 PolarHBondContact N-O 3.11Å; R280-L433 CarbonylContact C-O 3.59Å; R280-L433 WeakPolarHBondContact CA-O 3.43Å; R280-F434 HydrophobicContact CG-CD1 3.94Å; R280-F434 HydrophobicContact CG-CE1 3.92Å
281I94.8Very high81.3Confident1 Ų171.6 Ų71.61%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-101.2119.8-178-46.8-58.6000109.4F12 F14 L250 H279 L283 Q432 L433 V435F12-I281 HydrophobicContact CB-CD1 3.74Å; F12-I281 HydrophobicContact CD2-CD1 4.05Å; F12-I281 HydrophobicContact CG-CD1 4.23Å; F12-I281 CarbonylContact O-C 3.55Å; F12-I281 WeakPolarHBondContact O-CA 3.4Å; F14-I281 HydrophobicContact CD1-CG2 4.5Å; F14-I281 HydrophobicContact CD2-CG2 3.91Å; F14-I281 HydrophobicContact CE1-CG2 4.04Å; F14-I281 HydrophobicContact CE2-CG2 3.39Å; F14-I281 HydrophobicContact CG-CG2 4.44Å; F14-I281 HydrophobicContact CZ-CG2 3.48Å; F14-I281 VanDerWaalsContact CZ-CG2 3.48Å; L250-I281 HydrophobicContact CD1-CG1 3.99Å; H279-I281 HydrophobicContact CB-CD1 3.99Å; I281-L283 PolarHBondContact O-N 3.43Å; I281-Q432 CarbonylContact O-C 3.59Å; I281-Q432 WeakPolarHBondContact O-CA 3.35Å; I281-L433 HydrophobicContact CB-CB 4.29Å; I281-L433 PolarHBondContact N-O 3Å; I281-L433 PolarHBondContact O-N 3.45Å; I281-V435 HydrophobicContact CG1-CG2 3.95Å
282Q93.5Very high78.8Confident33 Ų3369.6 Ų69.615%0.15438%0.381CS..EExtended strand (participates in β ladder)trans-80.4115.6178.7-172.464.46900110.4I11 F12 F285 A428 H431 Q432I11-Q282 HydrophobicContact CG2-CB 3.92Å; F12-Q282 PolarHBondContact O-N 2.75Å; Q282-F285 HydrophobicContact CG-CE1 4.4Å; Q282-A428 PolarHBondContact NE2-O 3.32Å; Q282-A428 PolarHBondContact OE1-O 2.93Å; Q282-H431 PolarHBondContact NE2-O 3.47Å; Q282-Q432 VanDerWaalsContact OE1-CG 3.3Å; Q282-Q432 VanDerWaalsContact OE1-NE2 3.11Å
283L91.1Very high76.3Confident1 Ų168.5 Ų68.51%0.00539%0.386CS..  trans-74.6152.5166.5-70.8168.1000110.5F14 H238 A241 I281 F285 H431 L433F14-L283 HydrophobicContact CD2-CD2 4.21Å; F14-L283 HydrophobicContact CE2-CD2 3.56Å; F14-L283 HydrophobicContact CE2-CG 4.39Å; F14-L283 HydrophobicContact CZ-CD2 4.48Å; H238-L283 HydrophobicContact CB-CD1 3.76Å; A241-L283 HydrophobicContact CB-CD1 3.99Å; A241-L283 HydrophobicContact CB-CD2 3.93Å; A241-L283 HydrophobicContact CB-CG 4.42Å; I281-L283 PolarHBondContact O-N 3.43Å; L283-F285 PolarHBondContact O-N 3.25Å; L283-H431 HydrophobicContact CB-CB 4.29Å; L283-H431 VanDerWaalsContact CB-O 3.3Å; L283-H431 WeakPolarHBondContact CB-O 3.46Å; L283-H431 PolarHBondContact N-O 2.92Å; L283-L433 HydrophobicContact CD1-CD1 3.91Å; L283-L433 HydrophobicContact CD1-CD2 3.69Å; L283-L433 HydrophobicContact CD1-CG 3.71Å; L283-L433 HydrophobicContact CD2-CD1 3.9Å; L283-L433 HydrophobicContact CD2-CG 4.46Å; L283-L433 HydrophobicContact CG-CD1 3.86Å; L283-L433 HydrophobicContact CG-CD2 4.4Å; L283-L433 HydrophobicContact CG-CG 3.86Å
284P85.4Confident74Confident68 Ų6868.7 Ų68.744%0.44239%0.39SS..  trans-64.1131.9170.327.1-32.4000109.6
285F82.1Confident72Confident86 Ų8666.8 Ų66.838%0.37739%0.389SS..  trans-133.1146.4176.266.4-85000109.4Q282 L283 M427 A428 H431Q282-F285 HydrophobicContact CG-CE1 4.4Å; L283-F285 PolarHBondContact O-N 3.25Å; F285-M427 HydrophobicContact CD2-CB 4.46Å; F285-M427 HydrophobicContact CD2-CG 3.69Å; F285-M427 HydrophobicContact CE2-CG 4.19Å; F285-M427 HydrophobicContact CG-CG 4.48Å; F285-A428 HydrophobicContact CE1-CB 3.86Å; F285-A428 HydrophobicContact CE2-CB 4.22Å; F285-A428 HydrophobicContact CZ-CB 3.54Å; F285-H431 HydrophobicContact CB-CB 3.93Å; F285-H431 WeakPolarHBondContact CB-ND1 3.49Å; F285-H431 HydrophobicContact CD1-CB 4.15Å; F285-H431 HydrophobicContact CG-CB 4.3Å
286S72.3Confident70.2Confident74 Ų7464.5 Ų64.552%0.51739%0.392SS..  trans-89.1140.8165.284.20000108K288S286-K288 PolarHBondContact O-N 3.16Å
287G60.1Low68.8Low70 Ų7064.4 Ų64.472%0.72240%0.398SS*.SBendtrans-63.52175.700000114.5V289G287-V289 PolarHBondContact O-N 3.43Å
288K56.4Low67.1Low171 Ų17165.2 Ų65.274%0.74340%0.402SS*.SBendtrans-80.8116.4169.8-60.8-174.9-178.7179.60107.8S286 P290S286-K288 PolarHBondContact O-N 3.16Å; K288-P290 WeakPolarHBondContact O-CD 3.38Å; K288-P290 VanDerWaalsContact O-N 3.12Å
289V49.1Very low65.3Low78 Ų7871.4 Ų71.447%0.47342%0.424SS..  trans-56.5112.6-177.9-174.90000110.6G287 G291 G292 F425 M427G287-V289 PolarHBondContact O-N 3.43Å; V289-G291 PolarHBondContact O-N 3.23Å; V289-G292 PolarHBondContact O-N 3.21Å; V289-G292 VanDerWaalsContact O-N 3.1Å; V289-F425 HydrophobicContact CG1-CD1 4.41Å; V289-F425 HydrophobicContact CG1-CE1 4.21Å; V289-M427 HydrophobicContact CB-CE 3.72Å; V289-M427 HydrophobicContact CG1-CE 3.56Å; V289-M427 HydrophobicContact CG2-CE 3.79Å
290P45Very low63.7Low74 Ų7476.6 Ų76.648%0.48145%0.448SS..THydrogen-bonded Turntrans-66107.7165.3-8.324.9000105.7K288 M427K288-P290 WeakPolarHBondContact O-CD 3.38Å; K288-P290 VanDerWaalsContact O-N 3.12Å; P290-M427 VanDerWaalsContact CD-CE 3.42Å; P290-M427 WeakPolarHBondContact CD-SD 3.26Å; P290-M427 HydrophobicContact CG-SD 4.06Å
291G47Very low62.6Low64 Ų6478.2 Ų78.266%0.6646%0.459SS*.THydrogen-bonded Turntrans93.322.9-173.600000115.3V289 C293V289-G291 PolarHBondContact O-N 3.23Å; G291-C293 PolarHBondContact O-N 3.09Å
292G39.7Very low61.4Low38 Ų3884.4 Ų84.439%0.39248%0.483SS..  trans-54.3107.8137.800000105.2V289 V294V289-G292 PolarHBondContact O-N 3.21Å; V289-G292 VanDerWaalsContact O-N 3.1Å; G292-V294 PolarHBondContact O-N 3.12Å
293C40.8Very low60.3Low108 Ų10891.5 Ų91.573%0.7351%0.508SS*.  trans-64.478.4171.2-168.90000106.4G291 S295G291-C293 PolarHBondContact O-N 3.09Å; C293-S295 PolarHBondContact O-N 3.47Å
294V44.9Very low59.4Low32 Ų3293.5 Ų93.519%0.19453%0.525CS..  trans-55103.2150.1177.10000101.3G292 E298 R299G292-V294 PolarHBondContact O-N 3.12Å; V294-E298 WeakPolarHBondContact CA-OE2 3.45Å; V294-E298 HydrophobicContact CB-CB 4.46Å; V294-E298 HydrophobicContact CG1-CB 3.44Å; V294-E298 VanDerWaalsContact CG1-CB 3.44Å; V294-E298 HydrophobicContact CG1-CG 3.67Å; V294-E298 WeakPolarHBondContact CG1-OE2 3.3Å; V294-R299 HydrophobicContact CB-CG 4.19Å; V294-R299 HydrophobicContact CG1-CG 3.7Å; V294-R299 PolarHBondContact O-NE 2.92Å
295S50.8Low58.9Low45 Ų4594.5 Ų94.532%0.31552%0.524SS..  trans-50.9158.9-172.670.60000109C293 E297 E298 R299C293-S295 PolarHBondContact O-N 3.47Å; S295-E297 CarbonylContact O-C 3.46Å; S295-E297 PolarHBondContact O-N 3.06Å; S295-E297 WeakPolarHBondContact OG-CB 3.49Å; S295-E297 PolarHBondContact OG-N 3.33Å; S295-E298 PolarHBondContact O-N 2.95Å; S295-E298 PolarHBondContact OG-N 3.24Å; S295-R299 PolarHBondContact O-N 3.06Å; S295-R299 VanDerWaalsContact O-N 3.09Å
296A54.5Low58.3Low82 Ų8297 Ų9768%0.67854%0.536SS*.Hα-helixtrans-48.6-35.9174.500000111.3Q300A296-Q300 VanDerWaalsContact O-CB 3.24Å; A296-Q300 WeakPolarHBondContact O-CB 3.49Å; A296-Q300 PolarHBondContact O-N 3Å
297E61Low58.2Low152 Ų15298.3 Ų98.371%0.7154%0.537SS*.Hα-helixtrans-60.8-49.7171.6-72.8178.113900113.3S295 R299 Q300 E301S295-E297 CarbonylContact O-C 3.46Å; S295-E297 PolarHBondContact O-N 3.06Å; S295-E297 WeakPolarHBondContact OG-CB 3.49Å; S295-E297 PolarHBondContact OG-N 3.33Å; E297-R299 VanDerWaalsContact C-N 3.3Å; E297-R299 PolarHBondContact O-N 3.25Å; E297-Q300 CarbonylContact O-C 3.56Å; E297-Q300 PolarHBondContact O-N 2.92Å; E297-Q300 VanDerWaalsContact O-N 3.15Å; E297-E301 VanDerWaalsContact O-CB 3.29Å; E297-E301 WeakPolarHBondContact O-CB 3.49Å; E297-E301 PolarHBondContact O-N 2.95Å
298E58Low59Low74 Ų74103.7 Ų103.735%0.34654%0.536SS..Hα-helixtrans-71.7-25.9-174.2-162.1-163.9165.800111.9V294 S295 R302V294-E298 WeakPolarHBondContact CA-OE2 3.45Å; V294-E298 HydrophobicContact CB-CB 4.46Å; V294-E298 HydrophobicContact CG1-CB 3.44Å; V294-E298 VanDerWaalsContact CG1-CB 3.44Å; V294-E298 HydrophobicContact CG1-CG 3.67Å; V294-E298 WeakPolarHBondContact CG1-OE2 3.3Å; S295-E298 PolarHBondContact O-N 2.95Å; S295-E298 PolarHBondContact OG-N 3.24Å; E298-R302 VanDerWaalsContact O-CG 3.3Å; E298-R302 WeakPolarHBondContact O-CG 3.37Å; E298-R302 PolarHBondContact O-N 3.33Å; E298-R302 VanDerWaalsContact O-N 3.12Å; E298-R302 IonicContact OE1-CZ 3.27Å; E298-R302 IonicContact OE1-NE 2.78Å; E298-R302 IonicContact OE1-NH2 2.94Å; E298-R302 PolarHBondContact OE1-NH2 3.46Å
299R55.5Low59.9Low142 Ų142103.3 Ų103.354%0.53653%0.53SS..Hα-helixtrans-72.9-41.6168.6-69.1-175.8-158.5174.92.2111.9V294 S295 E297 E301 R302 R303V294-R299 HydrophobicContact CB-CG 4.19Å; V294-R299 HydrophobicContact CG1-CG 3.7Å; V294-R299 PolarHBondContact O-NE 2.92Å; S295-R299 PolarHBondContact O-N 3.06Å; S295-R299 VanDerWaalsContact O-N 3.09Å; E297-R299 VanDerWaalsContact C-N 3.3Å; E297-R299 PolarHBondContact O-N 3.25Å; R299-E301 VanDerWaalsContact C-N 3.29Å; R299-R302 PolarHBondContact O-N 2.89Å; R299-R303 WeakPolarHBondContact O-CB 3.36Å; R299-R303 WeakPolarHBondContact O-CG 3.17Å; R299-R303 PolarHBondContact O-N 3.36Å
300Q60.6Low61Low140 Ų140104.4 Ų104.465%0.65453%0.532SS*.Hα-helixtrans-65.8-36.6177.4-170.5169.1-2.300110.8A296 E297 R303 A304A296-Q300 VanDerWaalsContact O-CB 3.24Å; A296-Q300 WeakPolarHBondContact O-CB 3.49Å; A296-Q300 PolarHBondContact O-N 3Å; E297-Q300 CarbonylContact O-C 3.56Å; E297-Q300 PolarHBondContact O-N 2.92Å; E297-Q300 VanDerWaalsContact O-N 3.15Å; Q300-R303 PolarHBondContact O-N 3.47Å; Q300-A304 VanDerWaalsContact O-CB 3.24Å; Q300-A304 WeakPolarHBondContact O-CB 3.49Å; Q300-A304 PolarHBondContact O-N 3.26Å
301E71.3Confident62.3Low110 Ų110106.3 Ų106.351%0.51454%0.535SS..Hα-helixtrans-69.9-42.2177.2-166.2177.1-169.300111.9E297 R299 R303 A304 Q305E297-E301 VanDerWaalsContact O-CB 3.29Å; E297-E301 WeakPolarHBondContact O-CB 3.49Å; E297-E301 PolarHBondContact O-N 2.95Å; R299-E301 VanDerWaalsContact C-N 3.29Å; E301-R303 PolarHBondContact O-N 2.78Å; E301-A304 PolarHBondContact O-N 2.85Å; E301-Q305 WeakPolarHBondContact O-CB 3.5Å; E301-Q305 VanDerWaalsContact O-CG 3.29Å; E301-Q305 WeakPolarHBondContact O-CG 3.4Å; E301-Q305 PolarHBondContact O-N 3.19Å
302R69.6Low63.8Low131 Ų131109.7 Ų109.749%0.49453%0.533SS..Hα-helixtrans-64.7-39.9174.1-73.1178-168.5-170.17.9112.3E298 R299 Q305 Q306E298-R302 VanDerWaalsContact O-CG 3.3Å; E298-R302 WeakPolarHBondContact O-CG 3.37Å; E298-R302 PolarHBondContact O-N 3.33Å; E298-R302 VanDerWaalsContact O-N 3.12Å; E298-R302 IonicContact OE1-CZ 3.27Å; E298-R302 IonicContact OE1-NE 2.78Å; E298-R302 IonicContact OE1-NH2 2.94Å; E298-R302 PolarHBondContact OE1-NH2 3.46Å; R299-R302 PolarHBondContact O-N 2.89Å; R302-Q305 PolarHBondContact O-N 3.27Å; R302-Q306 WeakPolarHBondContact O-CB 3.35Å; R302-Q306 WeakPolarHBondContact O-CG 3.28Å; R302-Q306 PolarHBondContact O-N 3.5Å
303R70.6Confident65.4Low181 Ų181112.1 Ų112.168%0.68354%0.536SS*.Hα-helixtrans-63.8-43.5173-74.5177.7-179.9-176.2-0.7111.1R299 Q300 E301 Q306 L307R299-R303 WeakPolarHBondContact O-CB 3.36Å; R299-R303 WeakPolarHBondContact O-CG 3.17Å; R299-R303 PolarHBondContact O-N 3.36Å; Q300-R303 PolarHBondContact O-N 3.47Å; E301-R303 PolarHBondContact O-N 2.78Å; R303-Q306 PolarHBondContact O-N 2.88Å; R303-L307 WeakPolarHBondContact O-CB 3.31Å; R303-L307 PolarHBondContact O-N 3.19Å
304A72.8Confident67Low44 Ų44110 Ų11036%0.36452%0.518SS..Hα-helixtrans-63.9-40.2175.900000112.3Q300 E301 L307 R308Q300-A304 VanDerWaalsContact O-CB 3.24Å; Q300-A304 WeakPolarHBondContact O-CB 3.49Å; Q300-A304 PolarHBondContact O-N 3.26Å; E301-A304 PolarHBondContact O-N 2.85Å; A304-L307 PolarHBondContact O-N 3.36Å; A304-R308 WeakPolarHBondContact O-CB 3.29Å; A304-R308 WeakPolarHBondContact O-CG 3.25Å; A304-R308 PolarHBondContact O-N 2.75Å
305Q74.8Confident68.6Low89 Ų89110.7 Ų110.742%0.41652%0.522SS..Hα-helixtrans-66.3-39.6175.1-75.7178.911.100112E301 R302 R308 R309E301-Q305 WeakPolarHBondContact O-CB 3.5Å; E301-Q305 VanDerWaalsContact O-CG 3.29Å; E301-Q305 WeakPolarHBondContact O-CG 3.4Å; E301-Q305 PolarHBondContact O-N 3.19Å; R302-Q305 PolarHBondContact O-N 3.27Å; Q305-R308 PolarHBondContact O-N 3.43Å; Q305-R309 VanDerWaalsContact O-CG 3.31Å; Q305-R309 WeakPolarHBondContact O-CG 3.31Å; Q305-R309 PolarHBondContact O-N 3.14Å
306Q69.9Low70Confident137 Ų137116.2 Ų116.264%0.6454%0.536SS*.Hα-helixtrans-65.9-43174.2-78.8179.4-20.700112R302 R303 R309 L310R302-Q306 WeakPolarHBondContact O-CB 3.35Å; R302-Q306 WeakPolarHBondContact O-CG 3.28Å; R302-Q306 PolarHBondContact O-N 3.5Å; R303-Q306 PolarHBondContact O-N 2.88Å; Q306-R309 PolarHBondContact O-N 3.35Å; Q306-L310 WeakPolarHBondContact O-CB 3.28Å; Q306-L310 PolarHBondContact O-N 3.37Å
307L69.3Low71.2Confident103 Ų103120.1 Ų120.154%0.53953%0.533SS..Hα-helixtrans-62-43.6174.3-105.7125.9000111.9R303 A304 L310 Q311R303-L307 WeakPolarHBondContact O-CB 3.31Å; R303-L307 PolarHBondContact O-N 3.19Å; A304-L307 PolarHBondContact O-N 3.36Å; L307-L310 PolarHBondContact O-N 2.92Å; L307-Q311 WeakPolarHBondContact O-CB 3.29Å; L307-Q311 WeakPolarHBondContact O-CG 3.45Å; L307-Q311 PolarHBondContact O-N 2.75Å
308R76.7Confident72.1Confident182 Ų182120 Ų12069%0.68753%0.527SS*.Hα-helixtrans-61.7-45175.7-78.9-177.2-177.5-174.62.1112.2A304 Q305 L310 Q311 E312A304-R308 WeakPolarHBondContact O-CB 3.29Å; A304-R308 WeakPolarHBondContact O-CG 3.25Å; A304-R308 PolarHBondContact O-N 2.75Å; Q305-R308 PolarHBondContact O-N 3.43Å; R308-L310 VanDerWaalsContact C-N 3.3Å; R308-L310 PolarHBondContact O-N 3.5Å; R308-Q311 PolarHBondContact O-N 3.42Å; R308-E312 WeakPolarHBondContact O-CB 3.36Å; R308-E312 PolarHBondContact O-N 3.47Å
309R75.4Confident73.2Confident164 Ų164121 Ų12162%0.61953%0.531SS*.Hα-helixtrans-61.9-39.3175.4-73.6177.6-174.2-173.83.8111.9Q305 Q306 E312 I313Q305-R309 VanDerWaalsContact O-CG 3.31Å; Q305-R309 WeakPolarHBondContact O-CG 3.31Å; Q305-R309 PolarHBondContact O-N 3.14Å; Q306-R309 PolarHBondContact O-N 3.35Å; R309-E312 PolarHBondContact O-N 3.16Å; R309-I313 WeakPolarHBondContact O-CB 3.2Å; R309-I313 WeakPolarHBondContact O-CD1 3.37Å; R309-I313 VanDerWaalsContact O-CG1 3.22Å; R309-I313 WeakPolarHBondContact O-CG1 3.49Å; R309-I313 PolarHBondContact O-N 3.49Å
310L72.3Confident74.5Confident101 Ų101118 Ų11853%0.52952%0.523SS..Hα-helixtrans-68.1-39.8176.8-172.365.8000111.6Q306 L307 R308 N314Q306-L310 WeakPolarHBondContact O-CB 3.28Å; Q306-L310 PolarHBondContact O-N 3.37Å; L307-L310 PolarHBondContact O-N 2.92Å; R308-L310 VanDerWaalsContact C-N 3.3Å; R308-L310 PolarHBondContact O-N 3.5Å; L310-N314 VanDerWaalsContact O-CB 3.32Å; L310-N314 WeakPolarHBondContact O-CB 3.22Å; L310-N314 VanDerWaalsContact O-CG 3.24Å; L310-N314 PolarHBondContact O-N 3.46Å; L310-N314 PolarHBondContact O-ND2 2.85Å
311Q74Confident75.7Confident114 Ų114117.7 Ų117.753%0.53352%0.52SS..Hα-helixtrans-62.4-44.9173.4-76173-17.700111.2L307 R308 N314 T315L307-Q311 WeakPolarHBondContact O-CB 3.29Å; L307-Q311 WeakPolarHBondContact O-CG 3.45Å; L307-Q311 PolarHBondContact O-N 2.75Å; R308-Q311 PolarHBondContact O-N 3.42Å; Q311-N314 CarbonylContact O-C 3.57Å; Q311-N314 PolarHBondContact O-N 2.75Å; Q311-T315 VanDerWaalsContact O-CG2 3.3Å; Q311-T315 WeakPolarHBondContact O-CG2 3.35Å; Q311-T315 PolarHBondContact O-N 2.82Å; Q311-T315 PolarHBondContact O-OG1 3.42Å
312E76.6Confident76.4Confident134 Ų134114 Ų11463%0.62650%0.503SS*.Hα-helixtrans-64.7-40.3178.2-169.9179.5-177.400112.5R308 R309 N314 T315 R316R308-E312 WeakPolarHBondContact O-CB 3.36Å; R308-E312 PolarHBondContact O-N 3.47Å; R309-E312 PolarHBondContact O-N 3.16Å; E312-N314 VanDerWaalsContact C-N 3.32Å; E312-N314 PolarHBondContact O-N 3.05Å; E312-T315 WeakPolarHBondContact CA-OG1 3.19Å; E312-T315 PolarHBondContact O-OG1 3.16Å; E312-R316 WeakPolarHBondContact O-CB 3.49Å; E312-R316 PolarHBondContact O-N 3.09Å
313I74.2Confident77.2Confident89 Ų89113.3 Ų113.346%0.45651%0.506SS..Hα-helixtrans-65-39.7173.1-70.3166.3000110.6R309 R317R309-I313 WeakPolarHBondContact O-CB 3.2Å; R309-I313 WeakPolarHBondContact O-CD1 3.37Å; R309-I313 VanDerWaalsContact O-CG1 3.22Å; R309-I313 WeakPolarHBondContact O-CG1 3.49Å; R309-I313 PolarHBondContact O-N 3.49Å; I313-R317 WeakPolarHBondContact O-CB 3.44Å; I313-R317 VanDerWaalsContact O-CG 3.32Å; I313-R317 WeakPolarHBondContact O-CG 3.49Å; I313-R317 PolarHBondContact O-N 2.85Å
314N73.9Confident78.1Confident64 Ų64110.7 Ų110.734%0.34250%0.501SS..Hα-helixtrans-72.6-37.2179.7-76.9-27.2000112.8L310 Q311 E312 R318L310-N314 VanDerWaalsContact O-CB 3.32Å; L310-N314 WeakPolarHBondContact O-CB 3.22Å; L310-N314 VanDerWaalsContact O-CG 3.24Å; L310-N314 PolarHBondContact O-N 3.46Å; L310-N314 PolarHBondContact O-ND2 2.85Å; Q311-N314 CarbonylContact O-C 3.57Å; Q311-N314 PolarHBondContact O-N 2.75Å; E312-N314 VanDerWaalsContact C-N 3.32Å; E312-N314 PolarHBondContact O-N 3.05Å; N314-R318 VanDerWaalsContact O-CG 3.26Å; N314-R318 WeakPolarHBondContact O-CG 3.39Å; N314-R318 PolarHBondContact O-N 3.33Å; N314-R318 VanDerWaalsContact O-N 3.1Å
315T79.8Confident78.7Confident47 Ų47110.5 Ų110.529%0.28849%0.494SS..Hα-helixtrans-66.6-47.5174.153.60000109.9Q311 E312 R317 R318 E319Q311-T315 VanDerWaalsContact O-CG2 3.3Å; Q311-T315 WeakPolarHBondContact O-CG2 3.35Å; Q311-T315 PolarHBondContact O-N 2.82Å; Q311-T315 PolarHBondContact O-OG1 3.42Å; E312-T315 WeakPolarHBondContact CA-OG1 3.19Å; E312-T315 PolarHBondContact O-OG1 3.16Å; T315-R317 VanDerWaalsContact C-N 3.34Å; T315-R317 PolarHBondContact O-N 3.36Å; T315-R318 CarbonylContact O-C 3.59Å; T315-R318 WeakPolarHBondContact O-CA 3.2Å; T315-R318 WeakPolarHBondContact O-CB 3.2Å; T315-R318 PolarHBondContact O-N 2.88Å; T315-E319 WeakPolarHBondContact O-CG 3.5Å; T315-E319 PolarHBondContact O-N 3.09Å
316R80.1Confident79.3Confident161 Ų161109 Ų10961%0.60849%0.487SS*.Hα-helixtrans-57.5-43.6175.6-177.4178.2166.7170.33.3112.7E312 R318 E319 E320E312-R316 WeakPolarHBondContact O-CB 3.49Å; E312-R316 PolarHBondContact O-N 3.09Å; R316-R318 VanDerWaalsContact C-N 3.3Å; R316-R318 PolarHBondContact O-N 3.06Å; R316-E319 PolarHBondContact O-N 3.46Å; R316-E320 HydrophobicContact CG-CG 4.43Å; R316-E320 IonicContact CZ-OE1 3.9Å; R316-E320 IonicContact NE-OE1 2.86Å; R316-E320 PolarHBondContact NE-OE1 3.32Å; R316-E320 IonicContact NH2-OE1 3.91Å; R316-E320 PolarHBondContact NH2-OE1 3.46Å; R316-E320 WeakPolarHBondContact O-CB 3.29Å; R316-E320 WeakPolarHBondContact O-CG 3.36Å; R316-E320 PolarHBondContact O-N 3.46Å
317R79.6Confident80.2Confident163 Ų163106.8 Ų106.862%0.61548%0.477SS*.Hα-helixtrans-63-35.1174.7-79.7179176.1-174.8-0.6112.9I313 T315 K321I313-R317 WeakPolarHBondContact O-CB 3.44Å; I313-R317 VanDerWaalsContact O-CG 3.32Å; I313-R317 WeakPolarHBondContact O-CG 3.49Å; I313-R317 PolarHBondContact O-N 2.85Å; T315-R317 VanDerWaalsContact C-N 3.34Å; T315-R317 PolarHBondContact O-N 3.36Å; R317-K321 WeakPolarHBondContact O-CB 3.4Å; R317-K321 PolarHBondContact O-N 2.89Å; R317-K321 VanDerWaalsContact O-N 3.09Å
318R79.1Confident81Confident151 Ų151107.8 Ų107.857%0.5747%0.473SS*.Hα-helixtrans-70-40.5175.6-72.4171.2-172.6-178.33.4111.2N314 T315 R316 K321 L322N314-R318 VanDerWaalsContact O-CG 3.26Å; N314-R318 WeakPolarHBondContact O-CG 3.39Å; N314-R318 PolarHBondContact O-N 3.33Å; N314-R318 VanDerWaalsContact O-N 3.1Å; T315-R318 CarbonylContact O-C 3.59Å; T315-R318 WeakPolarHBondContact O-CA 3.2Å; T315-R318 WeakPolarHBondContact O-CB 3.2Å; T315-R318 PolarHBondContact O-N 2.88Å; R316-R318 VanDerWaalsContact C-N 3.3Å; R316-R318 PolarHBondContact O-N 3.06Å; R318-K321 PolarHBondContact O-N 2.98Å; R318-L322 WeakPolarHBondContact O-CB 3.46Å; R318-L322 PolarHBondContact O-N 3.34Å
319E81.3Confident81.6Confident94 Ų9499.6 Ų99.644%0.43944%0.443SS..Hα-helixtrans-63.6-48.1174.7-69.6175.8169.400111.7T315 R316 K321 L322 Q323 L380T315-E319 WeakPolarHBondContact O-CG 3.5Å; T315-E319 PolarHBondContact O-N 3.09Å; R316-E319 PolarHBondContact O-N 3.46Å; E319-K321 VanDerWaalsContact C-N 3.29Å; E319-K321 PolarHBondContact O-N 3.49Å; E319-L322 PolarHBondContact O-N 2.89Å; E319-Q323 WeakPolarHBondContact O-CB 3.38Å; E319-Q323 PolarHBondContact O-N 3Å; E319-L380 HydrophobicContact CG-CD1 3.62Å; E319-L380 HydrophobicContact CG-CD2 4.09Å; E319-L380 HydrophobicContact CG-CG 4.44Å
320E83.1Confident82.2Confident80 Ų8095.6 Ų95.637%0.37443%0.434SS..Hα-helixtrans-59.2-41.3177.1-74.5172.3-178.300111.2R316 Q323 Q324R316-E320 HydrophobicContact CG-CG 4.43Å; R316-E320 IonicContact CZ-OE1 3.9Å; R316-E320 IonicContact NE-OE1 2.86Å; R316-E320 PolarHBondContact NE-OE1 3.32Å; R316-E320 IonicContact NH2-OE1 3.91Å; R316-E320 PolarHBondContact NH2-OE1 3.46Å; R316-E320 WeakPolarHBondContact O-CB 3.29Å; R316-E320 WeakPolarHBondContact O-CG 3.36Å; R316-E320 PolarHBondContact O-N 3.46Å; E320-Q323 PolarHBondContact O-N 2.8Å; E320-Q324 WeakPolarHBondContact O-CG 3.47Å; E320-Q324 PolarHBondContact O-N 2.75Å
321K85Confident82.9Confident132 Ų13297.8 Ų97.857%0.57444%0.435SS*.Hα-helixtrans-65.5-45175.2-175.6175.3180178.40112.1R317 R318 E319 Q323 Q324 D325R317-K321 WeakPolarHBondContact O-CB 3.4Å; R317-K321 PolarHBondContact O-N 2.89Å; R317-K321 VanDerWaalsContact O-N 3.09Å; R318-K321 PolarHBondContact O-N 2.98Å; E319-K321 VanDerWaalsContact C-N 3.29Å; E319-K321 PolarHBondContact O-N 3.49Å; K321-Q323 VanDerWaalsContact C-N 3.27Å; K321-Q323 PolarHBondContact O-N 3.13Å; K321-Q324 PolarHBondContact O-N 3.44Å; K321-D325 WeakPolarHBondContact O-CB 3.36Å; K321-D325 PolarHBondContact O-N 2.82Å
322L86.8Confident83.5Confident32 Ų3292.5 Ų92.517%0.16841%0.411CS..Hα-helixtrans-61.8-38.5178-175.665.2000111.6R318 E319 D325 Q326 V373 R377R318-L322 WeakPolarHBondContact O-CB 3.46Å; R318-L322 PolarHBondContact O-N 3.34Å; E319-L322 PolarHBondContact O-N 2.89Å; L322-D325 PolarHBondContact O-N 3.35Å; L322-Q326 WeakPolarHBondContact O-CB 3.38Å; L322-Q326 PolarHBondContact O-N 3.49Å; L322-V373 HydrophobicContact CD1-CB 4.38Å; L322-V373 HydrophobicContact CD1-CG1 4.08Å; L322-R377 HydrophobicContact CD1-CG 4.3Å; L322-R377 HydrophobicContact CD2-CG 3.8Å; L322-R377 HydrophobicContact CG-CG 4.5Å
323Q87.1Confident84.1Confident118 Ų11888.9 Ų88.955%0.55140%0.395SS*.Hα-helixtrans-64.9-44.7175.7-17417110.900111.7E319 E320 K321 D325 Q326 E327E319-Q323 WeakPolarHBondContact O-CB 3.38Å; E319-Q323 PolarHBondContact O-N 3Å; E320-Q323 PolarHBondContact O-N 2.8Å; K321-Q323 VanDerWaalsContact C-N 3.27Å; K321-Q323 PolarHBondContact O-N 3.13Å; Q323-D325 PolarHBondContact O-N 2.9Å; Q323-Q326 PolarHBondContact O-N 3.44Å; Q323-E327 WeakPolarHBondContact O-CG 3.31Å; Q323-E327 PolarHBondContact O-N 2.66Å
324Q87.6Confident84.7Confident125 Ų12586.9 Ų86.958%0.58439%0.392SS*.Hα-helixtrans-62.5-41.8175.1-72.8175.2900112.4E320 K321 Q326 E327 R328E320-Q324 WeakPolarHBondContact O-CG 3.47Å; E320-Q324 PolarHBondContact O-N 2.75Å; K321-Q324 PolarHBondContact O-N 3.44Å; Q324-Q326 VanDerWaalsContact C-N 3.33Å; Q324-E327 PolarHBondContact O-N 3.14Å; Q324-R328 VanDerWaalsContact O-CB 3.31Å; Q324-R328 WeakPolarHBondContact O-CB 3.43Å; Q324-R328 PolarHBondContact O-N 2.74Å
325D86.9Confident85.2Confident40 Ų4084.5 Ų84.521%0.21438%0.38CS..Hα-helixtrans-65.1-38177.3-71.3-20.5000110.9K321 L322 Q323 R328 L329 L369 V373K321-D325 WeakPolarHBondContact O-CB 3.36Å; K321-D325 PolarHBondContact O-N 2.82Å; L322-D325 PolarHBondContact O-N 3.35Å; Q323-D325 PolarHBondContact O-N 2.9Å; D325-R328 PolarHBondContact O-N 3.35Å; D325-L329 WeakPolarHBondContact O-CB 3.33Å; D325-L329 PolarHBondContact O-N 3.08Å; D325-L369 HydrophobicContact CB-CD1 4.22Å; D325-V373 HydrophobicContact CB-CG2 3.85Å
326Q86.4Confident85.4Confident57 Ų5783.7 Ų83.727%0.26637%0.373SS..Hα-helixtrans-65.8-49173.8-175.868.157.700112.3L322 Q323 Q324 R328 L329 D330 V373L322-Q326 WeakPolarHBondContact O-CB 3.38Å; L322-Q326 PolarHBondContact O-N 3.49Å; Q323-Q326 PolarHBondContact O-N 3.44Å; Q324-Q326 VanDerWaalsContact C-N 3.33Å; Q326-R328 PolarHBondContact O-N 3.25Å; Q326-L329 WeakPolarHBondContact O-CB 3.23Å; Q326-L329 PolarHBondContact O-N 2.85Å; Q326-L329 VanDerWaalsContact O-N 3.08Å; Q326-D330 PolarHBondContact NE2-OD1 3.2Å; Q326-D330 VanDerWaalsContact O-CG 3.27Å; Q326-D330 PolarHBondContact O-N 3.41Å; Q326-V373 VanDerWaalsContact OE1-CG1 3.29Å
327E88.9Confident85.7Confident92 Ų9281.5 Ų81.543%0.4337%0.37SS..Hα-helixtrans-61.6-32.1177.3-73.2176.1-174.500112.4Q323 Q324 R331Q323-E327 WeakPolarHBondContact O-CG 3.31Å; Q323-E327 PolarHBondContact O-N 2.66Å; Q324-E327 PolarHBondContact O-N 3.14Å; E327-R331 WeakPolarHBondContact O-CG 3.03Å; E327-R331 PolarHBondContact O-N 3.13Å; E327-R331 PolarHBondContact O-NE 3.25Å; E327-R331 VanDerWaalsContact O-NE 3.17Å
328R86.2Confident86Confident124 Ų12475.5 Ų75.547%0.46835%0.349SS..Hα-helixtrans-71.5-41.2174.6-171.1172.9-172.2168.71.5111.1Q324 D325 Q326 R331 L332 Y365 L369Q324-R328 VanDerWaalsContact O-CB 3.31Å; Q324-R328 WeakPolarHBondContact O-CB 3.43Å; Q324-R328 PolarHBondContact O-N 2.74Å; D325-R328 PolarHBondContact O-N 3.35Å; Q326-R328 PolarHBondContact O-N 3.25Å; R328-R331 PolarHBondContact O-N 3.37Å; R328-L332 HydrophobicContact CG-CD1 4.31Å; R328-L332 WeakPolarHBondContact O-CD1 3.4Å; R328-L332 VanDerWaalsContact O-CG 3.26Å; R328-L332 WeakPolarHBondContact O-CG 3.22Å; R328-L332 PolarHBondContact O-N 2.79Å; R328-L332 VanDerWaalsContact O-N 3.12Å; R328-Y365 PolarHBondContact NH2-OH 3.03Å; R328-L369 HydrophobicContact CB-CD2 4.12Å; R328-L369 HydrophobicContact CG-CD2 4.06Å
329L89.7Confident86.2Confident9 Ų971.4 Ų71.45%0.04734%0.339CS..Hα-helixtrans-60.8-46.4174.2175.760000111.5D325 Q326 R331 L332 L333 I366 L369 Q370D325-L329 WeakPolarHBondContact O-CB 3.33Å; D325-L329 PolarHBondContact O-N 3.08Å; Q326-L329 WeakPolarHBondContact O-CB 3.23Å; Q326-L329 PolarHBondContact O-N 2.85Å; Q326-L329 VanDerWaalsContact O-N 3.08Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 2.86Å; L329-L332 PolarHBondContact O-N 3.39Å; L329-L332 VanDerWaalsContact O-N 3.08Å; L329-L333 HydrophobicContact CD1-CD1 4.08Å; L329-L333 HydrophobicContact CD1-CG 4.08Å; L329-L333 HydrophobicContact CG-CD1 3.95Å; L329-L333 HydrophobicContact CG-CG 4.4Å; L329-L333 WeakPolarHBondContact O-CG 3.25Å; L329-L333 PolarHBondContact O-N 3.26Å; L329-I366 HydrophobicContact CD1-CG2 3.99Å; L329-L369 HydrophobicContact CB-CD2 3.86Å; L329-L369 HydrophobicContact CB-CG 4.28Å; L329-Q370 HydrophobicContact CD1-CG 3.58Å; L329-Q370 HydrophobicContact CD2-CB 4.45Å; L329-Q370 HydrophobicContact CD2-CG 3.6Å; L329-Q370 HydrophobicContact CG-CG 4.22Å
330D87.6Confident86.2Confident80 Ų8073.6 Ų73.643%0.42835%0.349SS..Hα-helixtrans-61.4-39.7179.9-64.3-15.1000111.5Q326 L332 L333 A334Q326-D330 PolarHBondContact NE2-OD1 3.2Å; Q326-D330 VanDerWaalsContact O-CG 3.27Å; Q326-D330 PolarHBondContact O-N 3.41Å; D330-L332 PolarHBondContact O-N 3.11Å; D330-L333 PolarHBondContact O-N 3.05Å; D330-A334 WeakPolarHBondContact O-CB 3.45Å; D330-A334 PolarHBondContact O-N 3Å
331R86.9Confident86.2Confident147 Ų14775 Ų7556%0.55536%0.359SS*.Hα-helixtrans-61.7-41.2173.2-82.4-178.9-77.7-150.3-4.8112.8E327 R328 L329 A334 V335E327-R331 WeakPolarHBondContact O-CG 3.03Å; E327-R331 PolarHBondContact O-N 3.13Å; E327-R331 PolarHBondContact O-NE 3.25Å; E327-R331 VanDerWaalsContact O-NE 3.17Å; R328-R331 PolarHBondContact O-N 3.37Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 2.86Å; R331-A334 PolarHBondContact O-N 3.14Å; R331-V335 WeakPolarHBondContact O-CG2 3.33Å; R331-V335 PolarHBondContact O-N 2.86Å
332L87.5Confident85.8Confident4 Ų471.1 Ų71.12%0.02136%0.356CS..Hα-helixtrans-71-37.9179.7-65.4163000111.7R328 L329 D330 V335 Q336 L354 M356 L362 Y365 I366 L369R328-L332 HydrophobicContact CG-CD1 4.31Å; R328-L332 WeakPolarHBondContact O-CD1 3.4Å; R328-L332 VanDerWaalsContact O-CG 3.26Å; R328-L332 WeakPolarHBondContact O-CG 3.22Å; R328-L332 PolarHBondContact O-N 2.79Å; R328-L332 VanDerWaalsContact O-N 3.12Å; L329-L332 PolarHBondContact O-N 3.39Å; L329-L332 VanDerWaalsContact O-N 3.08Å; D330-L332 PolarHBondContact O-N 3.11Å; L332-V335 PolarHBondContact O-N 2.87Å; L332-Q336 PolarHBondContact O-N 2.92Å; L332-L354 HydrophobicContact CD2-CD1 3.87Å; L332-M356 HydrophobicContact CD2-SD 4.31Å; L332-L362 HydrophobicContact CB-CD1 4.22Å; L332-L362 HydrophobicContact CD2-CD1 3.54Å; L332-L362 HydrophobicContact CG-CD1 4.47Å; L332-Y365 HydrophobicContact CD1-CD1 3.53Å; L332-Y365 HydrophobicContact CD1-CE1 3.82Å; L332-I366 HydrophobicContact CB-CD1 4.05Å; L332-I366 HydrophobicContact CB-CG1 3.67Å; L332-I366 HydrophobicContact CD1-CG1 4.46Å; L332-L369 HydrophobicContact CD1-CD2 3.89Å
333L88Confident85.7Confident57 Ų5773.2 Ų73.230%0.29837%0.367SS..Hα-helixtrans-64.7-39.3174.1-71.2171.6000111.7L329 D330 V335 Q336 E337 I366L329-L333 HydrophobicContact CD1-CD1 4.08Å; L329-L333 HydrophobicContact CD1-CG 4.08Å; L329-L333 HydrophobicContact CG-CD1 3.95Å; L329-L333 HydrophobicContact CG-CG 4.4Å; L329-L333 WeakPolarHBondContact O-CG 3.25Å; L329-L333 PolarHBondContact O-N 3.26Å; D330-L333 PolarHBondContact O-N 3.05Å; L333-V335 VanDerWaalsContact C-N 3.27Å; L333-V335 PolarHBondContact O-N 3.46Å; L333-Q336 WeakPolarHBondContact O-CA 3.28Å; L333-Q336 WeakPolarHBondContact O-CB 3.4Å; L333-Q336 PolarHBondContact O-N 2.81Å; L333-Q336 VanDerWaalsContact O-N 3.08Å; L333-E337 PolarHBondContact O-N 3.25Å; L333-I366 HydrophobicContact CD2-CD1 4.42Å; L333-I366 HydrophobicContact CD2-CG2 3.8Å
334A86.5Confident85.3Confident48 Ų4872 Ų7240%0.39736%0.364SS..Hα-helixtrans-61.8-35.5173.500000112.2D330 R331 E337 L338D330-A334 WeakPolarHBondContact O-CB 3.45Å; D330-A334 PolarHBondContact O-N 3Å; R331-A334 PolarHBondContact O-N 3.14Å; A334-E337 PolarHBondContact O-N 3.03Å; A334-L338 WeakPolarHBondContact O-CG 3.46Å; A334-L338 PolarHBondContact O-N 3.26Å
335V85.2Confident85Confident13 Ų1372.9 Ų72.98%0.07937%0.373CS..Hα-helixtrans-70-36.5173.1177.20000111.2R331 L332 L333 E337 L338 F347 L354 L362R331-V335 WeakPolarHBondContact O-CG2 3.33Å; R331-V335 PolarHBondContact O-N 2.86Å; L332-V335 PolarHBondContact O-N 2.87Å; L333-V335 VanDerWaalsContact C-N 3.27Å; L333-V335 PolarHBondContact O-N 3.46Å; V335-E337 VanDerWaalsContact C-N 3.35Å; V335-L338 WeakPolarHBondContact O-CB 3.33Å; V335-L338 PolarHBondContact O-N 3.24Å; V335-F347 HydrophobicContact CG1-CD2 3.8Å; V335-F347 HydrophobicContact CG1-CE2 3.84Å; V335-F347 WeakPolarHBondContact O-CD2 3.37Å; V335-F347 WeakPolarHBondContact O-CE2 3.47Å; V335-L354 HydrophobicContact CG2-CD1 3.94Å; V335-L362 HydrophobicContact CB-CD2 4.43Å; V335-L362 HydrophobicContact CG1-CD2 3.86Å
336Q84.8Confident84.7Confident31 Ų3176.1 Ų76.115%0.14539%0.387CS..Hα-helixtrans-63.7-39.3173-170.3-170.8-22.900111.9L332 L333 L338 L339 E340 I366L332-Q336 PolarHBondContact O-N 2.92Å; L333-Q336 WeakPolarHBondContact O-CA 3.28Å; L333-Q336 WeakPolarHBondContact O-CB 3.4Å; L333-Q336 PolarHBondContact O-N 2.81Å; L333-Q336 VanDerWaalsContact O-N 3.08Å; Q336-L338 VanDerWaalsContact C-N 3.3Å; Q336-L338 PolarHBondContact O-N 2.95Å; Q336-L339 WeakPolarHBondContact O-CA 3.3Å; Q336-L339 VanDerWaalsContact O-CB 3.27Å; Q336-L339 WeakPolarHBondContact O-CB 3.44Å; Q336-L339 PolarHBondContact O-N 3.12Å; Q336-E340 PolarHBondContact NE2-OE1 3.47Å; Q336-E340 PolarHBondContact O-N 3.27Å; Q336-E340 VanDerWaalsContact O-N 3.17Å; Q336-I366 HydrophobicContact CB-CD1 4.16Å
337E85.9Confident84.6Confident115 Ų11573.7 Ų73.754%0.53738%0.375SS..Hα-helixtrans-61.4-37.3177.6-167.3175.4-168.400111.8L333 A334 V335 L339 E340 D341L333-E337 PolarHBondContact O-N 3.25Å; A334-E337 PolarHBondContact O-N 3.03Å; V335-E337 VanDerWaalsContact C-N 3.35Å; E337-L339 PolarHBondContact O-N 2.95Å; E337-E340 PolarHBondContact O-N 3.01Å; E337-D341 WeakPolarHBondContact O-CB 3.21Å; E337-D341 PolarHBondContact O-N 3.22Å
338L86.1Confident84.2Confident36 Ų3674.4 Ų74.419%0.18838%0.378CS..Hα-helixtrans-60-30.5173.2-65.5173.9000113.2A334 V335 Q336 G342 L343 Q346 F347A334-L338 WeakPolarHBondContact O-CG 3.46Å; A334-L338 PolarHBondContact O-N 3.26Å; V335-L338 WeakPolarHBondContact O-CB 3.33Å; V335-L338 PolarHBondContact O-N 3.24Å; Q336-L338 VanDerWaalsContact C-N 3.3Å; Q336-L338 PolarHBondContact O-N 2.95Å; L338-G342 PolarHBondContact O-N 3.26Å; L338-L343 HydrophobicContact CD2-CD1 4.16Å; L338-L343 PolarHBondContact O-N 2.85Å; L338-Q346 HydrophobicContact CD1-CB 4.34Å; L338-F347 HydrophobicContact CB-CB 4.35Å
339L82.4Confident84.1Confident66 Ų6674.9 Ų74.935%0.34638%0.384SS..Hα-helixtrans-73.8-40.7174.2-176.364.3000111.2Q336 E337 G342 L344 F347 A359Q336-L339 WeakPolarHBondContact O-CA 3.3Å; Q336-L339 VanDerWaalsContact O-CB 3.27Å; Q336-L339 WeakPolarHBondContact O-CB 3.44Å; Q336-L339 PolarHBondContact O-N 3.12Å; E337-L339 PolarHBondContact O-N 2.95Å; L339-G342 PolarHBondContact O-N 3.24Å; L339-L344 HydrophobicContact CD1-CD2 3.83Å; L339-F347 HydrophobicContact CB-CD2 3.81Å; L339-F347 HydrophobicContact CB-CE2 3.77Å; L339-F347 HydrophobicContact CB-CG 4.23Å; L339-F347 HydrophobicContact CB-CZ 4.16Å; L339-F347 HydrophobicContact CD1-CD1 3.93Å; L339-F347 HydrophobicContact CD1-CE1 3.85Å; L339-F347 HydrophobicContact CD1-CG 4.3Å; L339-F347 HydrophobicContact CD1-CZ 4.18Å; L339-F347 HydrophobicContact CD2-CE1 4.32Å; L339-F347 HydrophobicContact CD2-CE2 4.24Å; L339-F347 HydrophobicContact CD2-CZ 3.88Å; L339-F347 HydrophobicContact CG-CE1 4.47Å; L339-F347 HydrophobicContact CG-CE2 4.4Å; L339-F347 HydrophobicContact CG-CZ 4.3Å; L339-A359 HydrophobicContact CD2-CB 4.33Å
340E80.8Confident83.8Confident139 Ų13975.7 Ų75.765%0.6539%0.39SS*.Hα-helixtrans-67.7-35.7178.8-67.5178-169.900112Q336 E337 G342Q336-E340 PolarHBondContact NE2-OE1 3.47Å; Q336-E340 PolarHBondContact O-N 3.27Å; Q336-E340 VanDerWaalsContact O-N 3.17Å; E337-E340 PolarHBondContact O-N 3.01Å; E340-G342 PolarHBondContact O-N 3.45Å
341D82.9Confident83.7Confident110 Ų11072.4 Ų72.459%0.58837%0.372SS*.THydrogen-bonded Turntrans-77.8-3.4175.4-74.9-18.1000113.9E337 L343E337-D341 WeakPolarHBondContact O-CB 3.21Å; E337-D341 PolarHBondContact O-N 3.22Å; D341-L343 HydrophobicContact CB-CG 4.48Å; D341-L343 PolarHBondContact O-N 3.49Å
342G77.5Confident83.4Confident51 Ų5172.9 Ų72.953%0.52638%0.383SS..THydrogen-bonded Turntrans76.215.9176.600000115.2L338 L339 E340 L344L338-G342 PolarHBondContact O-N 3.26Å; L339-G342 PolarHBondContact O-N 3.24Å; E340-G342 PolarHBondContact O-N 3.45Å; G342-L344 VanDerWaalsContact C-N 3.32Å; G342-L344 PolarHBondContact O-N 2.98Å; G342-L344 VanDerWaalsContact O-N 3.11Å
343L84.3Confident83.2Confident76 Ų7679.5 Ų79.540%0.39841%0.414SS..  trans-87.163.9-179.4-65.2174.6000111.9L338 D341 D345 Q346 F347L338-L343 HydrophobicContact CD2-CD1 4.16Å; L338-L343 PolarHBondContact O-N 2.85Å; D341-L343 HydrophobicContact CB-CG 4.48Å; D341-L343 PolarHBondContact O-N 3.49Å; L343-D345 VanDerWaalsContact C-N 3.34Å; L343-D345 PolarHBondContact O-N 3.38Å; L343-Q346 PolarHBondContact O-N 3.2Å; L343-F347 PolarHBondContact O-N 2.84Å
344L79.5Confident82.8Confident93 Ų9380.3 Ų80.349%0.48742%0.418SS..Hα-helixtrans-59-33.6-169.8-65.3173.5000115.3L339 G342 H348L339-L344 HydrophobicContact CD1-CD2 3.83Å; G342-L344 VanDerWaalsContact C-N 3.32Å; G342-L344 PolarHBondContact O-N 2.98Å; G342-L344 VanDerWaalsContact O-N 3.11Å; L344-H348 PolarHBondContact O-N 3.01Å; L344-H348 PolarHBondContact O-ND1 3.34Å; L344-H348 VanDerWaalsContact O-ND1 3.14Å
345D80.4Confident82.6Confident142 Ų14284.7 Ų84.776%0.75944%0.435SS*.Hα-helixtrans-70.2-37.7179.8-70-23.5000112.2L343 K349L343-D345 VanDerWaalsContact C-N 3.34Å; L343-D345 PolarHBondContact O-N 3.38Å; D345-K349 WeakPolarHBondContact O-CB 3.37Å; D345-K349 PolarHBondContact O-N 2.93Å
346Q80.4Confident82.5Confident109 Ų10985.2 Ų85.251%0.50944%0.437SS..Hα-helixtrans-75.8-34.7177.6-63-178.524.200111L338 L343 S350L338-Q346 HydrophobicContact CD1-CB 4.34Å; L343-Q346 PolarHBondContact O-N 3.2Å; Q346-S350 WeakPolarHBondContact O-CB 3.24Å; Q346-S350 PolarHBondContact O-N 3.43Å; Q346-S350 PolarHBondContact O-OG 2.85Å
347F84.6Confident82Confident6 Ų691 Ų913%0.02647%0.469CS..Hα-helixtrans-60.9-51.6172.4178.3-108.1000112.2V335 L338 L339 L343 K349 S350 L351 A359 L362V335-F347 HydrophobicContact CG1-CD2 3.8Å; V335-F347 HydrophobicContact CG1-CE2 3.84Å; V335-F347 WeakPolarHBondContact O-CD2 3.37Å; V335-F347 WeakPolarHBondContact O-CE2 3.47Å; L338-F347 HydrophobicContact CB-CB 4.35Å; L339-F347 HydrophobicContact CB-CD2 3.81Å; L339-F347 HydrophobicContact CB-CE2 3.77Å; L339-F347 HydrophobicContact CB-CG 4.23Å; L339-F347 HydrophobicContact CB-CZ 4.16Å; L339-F347 HydrophobicContact CD1-CD1 3.93Å; L339-F347 HydrophobicContact CD1-CE1 3.85Å; L339-F347 HydrophobicContact CD1-CG 4.3Å; L339-F347 HydrophobicContact CD1-CZ 4.18Å; L339-F347 HydrophobicContact CD2-CE1 4.32Å; L339-F347 HydrophobicContact CD2-CE2 4.24Å; L339-F347 HydrophobicContact CD2-CZ 3.88Å; L339-F347 HydrophobicContact CG-CE1 4.47Å; L339-F347 HydrophobicContact CG-CE2 4.4Å; L339-F347 HydrophobicContact CG-CZ 4.3Å; L343-F347 PolarHBondContact O-N 2.84Å; F347-K349 VanDerWaalsContact C-N 3.32Å; F347-K349 PolarHBondContact O-N 2.81Å; F347-S350 PolarHBondContact O-N 3.14Å; F347-L351 HydrophobicContact CD1-CD1 3.88Å; F347-L351 HydrophobicContact CE1-CD1 3.28Å; F347-L351 HydrophobicContact CE1-CG 4.28Å; F347-L351 HydrophobicContact CE2-CD1 4.23Å; F347-L351 HydrophobicContact CE2-CG 4.43Å; F347-L351 HydrophobicContact CZ-CD1 3.49Å; F347-L351 VanDerWaalsContact CZ-CD1 3.49Å; F347-L351 HydrophobicContact CZ-CG 4.12Å; F347-L351 PolarHBondContact O-N 2.78Å; F347-A359 HydrophobicContact CE1-CB 4.2Å; F347-A359 HydrophobicContact CZ-CB 3.91Å; F347-L362 HydrophobicContact CE2-CD2 3.74Å; F347-L362 HydrophobicContact CZ-CD2 4.13Å
348H80.4Confident81.9Confident106 Ų10687.8 Ų87.849%0.49146%0.459SS..Hα-helixtrans-61.8-38.5178.2-77.2132.1000112.8L344 L351 M352L344-H348 PolarHBondContact O-N 3.01Å; L344-H348 PolarHBondContact O-ND1 3.34Å; L344-H348 VanDerWaalsContact O-ND1 3.14Å; H348-L351 PolarHBondContact O-N 3.02Å; H348-M352 WeakPolarHBondContact O-CG 3.21Å; H348-M352 PolarHBondContact O-N 2.94Å; H348-M352 VanDerWaalsContact O-N 3.08Å
349K84.1Confident81.7Confident134 Ų13488 Ų8858%0.58347%0.466SS*.Hα-helixtrans-63.4-43175.7-170.4-178.7176-170.40111.7D345 F347 M352 E353D345-K349 WeakPolarHBondContact O-CB 3.37Å; D345-K349 PolarHBondContact O-N 2.93Å; F347-K349 VanDerWaalsContact C-N 3.32Å; F347-K349 PolarHBondContact O-N 2.81Å; K349-M352 PolarHBondContact O-N 3.13Å; K349-E353 WeakPolarHBondContact CE-OE1 3.07Å; K349-E353 WeakPolarHBondContact O-CG 3.25Å; K349-E353 PolarHBondContact O-N 3.16Å
350S83.9Confident81.6Confident26 Ų2692.8 Ų92.818%0.18249%0.486CS..Hα-helixtrans-68.4-35.6178.7-54.50000112.4Q346 F347 E353 L354Q346-S350 WeakPolarHBondContact O-CB 3.24Å; Q346-S350 PolarHBondContact O-N 3.43Å; Q346-S350 PolarHBondContact O-OG 2.85Å; F347-S350 PolarHBondContact O-N 3.14Å; S350-E353 PolarHBondContact O-N 3.12Å; S350-L354 WeakPolarHBondContact O-CB 3.35Å; S350-L354 WeakPolarHBondContact O-CG 3.38Å; S350-L354 PolarHBondContact O-N 2.8Å
351L84.8Confident81.7Confident11 Ų1190.3 Ų90.36%0.05848%0.475CS..Hα-helixtrans-61.6-43.2171.7-90.6170.6000112.2F347 H348 L354 N355 M356 L362F347-L351 HydrophobicContact CD1-CD1 3.88Å; F347-L351 HydrophobicContact CE1-CD1 3.28Å; F347-L351 HydrophobicContact CE1-CG 4.28Å; F347-L351 HydrophobicContact CE2-CD1 4.23Å; F347-L351 HydrophobicContact CE2-CG 4.43Å; F347-L351 HydrophobicContact CZ-CD1 3.49Å; F347-L351 VanDerWaalsContact CZ-CD1 3.49Å; F347-L351 HydrophobicContact CZ-CG 4.12Å; F347-L351 PolarHBondContact O-N 2.78Å; H348-L351 PolarHBondContact O-N 3.02Å; L351-L354 CarbonylContact O-C 3.54Å; L351-L354 PolarHBondContact O-N 2.92Å; L351-N355 PolarHBondContact O-N 3.03Å; L351-M356 HydrophobicContact CD2-CB 3.67Å; L351-M356 PolarHBondContact O-N 3.11Å; L351-L362 HydrophobicContact CD2-CB 4.32Å; L351-L362 HydrophobicContact CD2-CD2 4.44Å
352M80.3Confident81.9Confident157 Ų15785.2 Ų85.277%0.77345%0.448SS*.Hα-helixtrans-64.5-41.4175.3-73.7-174.717400112.2H348 K349 L354 N355H348-M352 WeakPolarHBondContact O-CG 3.21Å; H348-M352 PolarHBondContact O-N 2.94Å; H348-M352 VanDerWaalsContact O-N 3.08Å; K349-M352 PolarHBondContact O-N 3.13Å; M352-L354 VanDerWaalsContact C-N 3.28Å; M352-L354 PolarHBondContact O-N 3.35Å; M352-N355 PolarHBondContact O-N 3.23Å; M352-N355 VanDerWaalsContact O-N 3.11Å
353E83.4Confident82.3Confident143 Ų14386.1 Ų86.167%0.66844%0.438SS*.Hα-helixtrans-64.8-32.2176.9-73.6176.3-168.600112.5K349 S350 N355K349-E353 WeakPolarHBondContact CE-OE1 3.07Å; K349-E353 WeakPolarHBondContact O-CG 3.25Å; K349-E353 PolarHBondContact O-N 3.16Å; S350-E353 PolarHBondContact O-N 3.12Å; E353-N355 VanDerWaalsContact C-N 3.33Å
354L81.2Confident82.3Confident74 Ų7485 Ų8539%0.38744%0.437SS..THydrogen-bonded Turntrans-87.1-2.1174.9-67.5170.6000113.6L332 V335 S350 L351 M352 M356L332-L354 HydrophobicContact CD2-CD1 3.87Å; V335-L354 HydrophobicContact CG2-CD1 3.94Å; S350-L354 WeakPolarHBondContact O-CB 3.35Å; S350-L354 WeakPolarHBondContact O-CG 3.38Å; S350-L354 PolarHBondContact O-N 2.8Å; L351-L354 CarbonylContact O-C 3.54Å; L351-L354 PolarHBondContact O-N 2.92Å; M352-L354 VanDerWaalsContact C-N 3.28Å; M352-L354 PolarHBondContact O-N 3.35Å; L354-M356 HydrophobicContact CB-CG 4.23Å; L354-M356 PolarHBondContact O-N 3.4Å
355N81.9Confident82.6Confident141 Ų14184.5 Ų84.575%0.75443%0.429SS*.THydrogen-bonded Turntrans55.945179.3-157.472.2000113.2L351 M352 E353L351-N355 PolarHBondContact O-N 3.03Å; M352-N355 PolarHBondContact O-N 3.23Å; M352-N355 VanDerWaalsContact O-N 3.11Å; E353-N355 VanDerWaalsContact C-N 3.33Å
356M81.8Confident83Confident24 Ų2477.8 Ų77.812%0.11839%0.393CS..  trans-115.4138.4178.2-58.1-17173.100110.5L332 L351 L354 E361 L362 Y365L332-M356 HydrophobicContact CD2-SD 4.31Å; L351-M356 HydrophobicContact CD2-CB 3.67Å; L351-M356 PolarHBondContact O-N 3.11Å; L354-M356 HydrophobicContact CB-CG 4.23Å; L354-M356 PolarHBondContact O-N 3.4Å; M356-E361 VanDerWaalsContact CE-C 3.42Å; M356-E361 HydrophobicContact CE-CB 4.12Å; M356-E361 HydrophobicContact CE-CG 3.74Å; M356-E361 WeakPolarHBondContact CE-O 3.42Å; M356-L362 VanDerWaalsContact CE-CA 3.41Å; M356-L362 HydrophobicContact CE-CB 4.19Å; M356-L362 HydrophobicContact CE-CD1 4.43Å; M356-L362 HydrophobicContact SD-CB 4.4Å; M356-L362 HydrophobicContact SD-CD1 3.8Å; M356-Y365 HydrophobicContact CE-CG 4.47Å
357D75.4Confident83.4Confident152 Ų15276.7 Ų76.781%0.81339%0.391SS*.  trans-94-16.2-166.1-66.6-29.2000113.2E361D357-E361 PolarHBondContact N-OE2 3.19Å
358S84.6Confident83.6Confident48 Ų4883.2 Ų83.234%0.33642%0.419SS..  trans-151.9157.1-179.770.10000114.5E360 E361 L362S358-E360 VanDerWaalsContact C-N 3.26Å; S358-E360 PolarHBondContact O-N 3.3Å; S358-E361 WeakPolarHBondContact O-CB 3.43Å; S358-E361 PolarHBondContact O-N 2.81Å; S358-E361 WeakPolarHBondContact OG-CB 3.45Å; S358-E361 PolarHBondContact OG-N 3.33Å; S358-L362 PolarHBondContact O-N 3.39Å
359A80Confident84Confident41 Ų4178.8 Ų78.834%0.33940%0.399SS..Hα-helixtrans-64.6-29173.800000113L339 F347 L362 Q363L339-A359 HydrophobicContact CD2-CB 4.33Å; F347-A359 HydrophobicContact CE1-CB 4.2Å; F347-A359 HydrophobicContact CZ-CB 3.91Å; A359-L362 WeakPolarHBondContact O-CB 3.49Å; A359-L362 PolarHBondContact O-N 3.33Å; A359-Q363 PolarHBondContact O-N 3.28Å
360E82.1Confident84.3Confident165 Ų16575.6 Ų75.677%0.77139%0.386SS*.Hα-helixtrans-69.5-36.8175.9-65.2176.6179.500111.7S358 Q363 S364S358-E360 VanDerWaalsContact C-N 3.26Å; S358-E360 PolarHBondContact O-N 3.3Å; E360-Q363 PolarHBondContact O-N 3Å; E360-S364 WeakPolarHBondContact O-CB 3.45Å; E360-S364 PolarHBondContact O-N 2.87Å
361E83Confident84.5Confident87 Ų8779 Ų7941%0.40740%0.402SS..Hα-helixtrans-65.6-41.7173.9-167-178.5-171.800111.2M356 D357 S358 Q363 S364 Y365M356-E361 VanDerWaalsContact CE-C 3.42Å; M356-E361 HydrophobicContact CE-CB 4.12Å; M356-E361 HydrophobicContact CE-CG 3.74Å; M356-E361 WeakPolarHBondContact CE-O 3.42Å; D357-E361 PolarHBondContact N-OE2 3.19Å; S358-E361 WeakPolarHBondContact O-CB 3.43Å; S358-E361 PolarHBondContact O-N 2.81Å; S358-E361 WeakPolarHBondContact OG-CB 3.45Å; S358-E361 PolarHBondContact OG-N 3.33Å; E361-Q363 PolarHBondContact O-N 3.46Å; E361-S364 PolarHBondContact O-N 3.49Å; E361-Y365 WeakPolarHBondContact O-CB 3.22Å; E361-Y365 PolarHBondContact O-N 3.04Å
362L86.7Confident84.5Confident3 Ų380.6 Ų80.62%0.01642%0.416CS..Hα-helixtrans-57.2-49.2173.4-179.564.3000111.1L332 V335 F347 L351 M356 S358 A359 S364 Y365 I366L332-L362 HydrophobicContact CB-CD1 4.22Å; L332-L362 HydrophobicContact CD2-CD1 3.54Å; L332-L362 HydrophobicContact CG-CD1 4.47Å; V335-L362 HydrophobicContact CB-CD2 4.43Å; V335-L362 HydrophobicContact CG1-CD2 3.86Å; F347-L362 HydrophobicContact CE2-CD2 3.74Å; F347-L362 HydrophobicContact CZ-CD2 4.13Å; L351-L362 HydrophobicContact CD2-CB 4.32Å; L351-L362 HydrophobicContact CD2-CD2 4.44Å; M356-L362 VanDerWaalsContact CE-CA 3.41Å; M356-L362 HydrophobicContact CE-CB 4.19Å; M356-L362 HydrophobicContact CE-CD1 4.43Å; M356-L362 HydrophobicContact SD-CB 4.4Å; M356-L362 HydrophobicContact SD-CD1 3.8Å; S358-L362 PolarHBondContact O-N 3.39Å; A359-L362 WeakPolarHBondContact O-CB 3.49Å; A359-L362 PolarHBondContact O-N 3.33Å; L362-S364 PolarHBondContact O-N 3.34Å; L362-Y365 PolarHBondContact O-N 3.09Å; L362-I366 HydrophobicContact CD1-CD1 4.13Å; L362-I366 HydrophobicContact CD1-CG1 4.48Å; L362-I366 HydrophobicContact CG-CD1 3.96Å; L362-I366 VanDerWaalsContact O-CG1 3.32Å; L362-I366 WeakPolarHBondContact O-CG1 3.48Å; L362-I366 PolarHBondContact O-N 2.84Å
363Q84.8Confident85Confident70 Ų7073.3 Ų73.333%0.32738%0.381SS..Hα-helixtrans-64.3-41.2180-158.366.625.700112.8A359 E360 E361 Y365 I366 N367A359-Q363 PolarHBondContact O-N 3.28Å; E360-Q363 PolarHBondContact O-N 3Å; E361-Q363 PolarHBondContact O-N 3.46Å; Q363-Y365 VanDerWaalsContact C-N 3.31Å; Q363-Y365 PolarHBondContact O-N 3.27Å; Q363-I366 PolarHBondContact O-N 2.79Å; Q363-N367 VanDerWaalsContact O-CG 3.29Å; Q363-N367 PolarHBondContact O-N 2.83Å; Q363-N367 PolarHBondContact O-ND2 2.83Å
364S85.4Confident85.1Confident53 Ų5372.5 Ų72.537%0.37138%0.377SS..Hα-helixtrans-62.3-40.1176.4-171.70000111.7E360 E361 L362 K368E360-S364 WeakPolarHBondContact O-CB 3.45Å; E360-S364 PolarHBondContact O-N 2.87Å; E361-S364 PolarHBondContact O-N 3.49Å; L362-S364 PolarHBondContact O-N 3.34Å; S364-K368 WeakPolarHBondContact O-CG 3.49Å; S364-K368 PolarHBondContact O-N 2.87Å; S364-K368 VanDerWaalsContact O-N 3.08Å
365Y86.4Confident85.3Confident82 Ų8273.6 Ų73.632%0.32238%0.38SS..Hα-helixtrans-71-41.4179.8-162.1-102.3000112R328 L332 M356 E361 L362 Q363 N367 K368 L369R328-Y365 PolarHBondContact NH2-OH 3.03Å; L332-Y365 HydrophobicContact CD1-CD1 3.53Å; L332-Y365 HydrophobicContact CD1-CE1 3.82Å; M356-Y365 HydrophobicContact CE-CG 4.47Å; E361-Y365 WeakPolarHBondContact O-CB 3.22Å; E361-Y365 PolarHBondContact O-N 3.04Å; L362-Y365 PolarHBondContact O-N 3.09Å; Q363-Y365 VanDerWaalsContact C-N 3.31Å; Q363-Y365 PolarHBondContact O-N 3.27Å; Y365-N367 PolarHBondContact O-N 2.98Å; Y365-K368 PolarHBondContact O-N 2.9Å; Y365-L369 HydrophobicContact CE1-CD2 4.41Å; Y365-L369 WeakPolarHBondContact O-CB 3.46Å; Y365-L369 PolarHBondContact O-N 3.17Å
366I88.5Confident85.3Confident1 Ų168 Ų681%0.00536%0.356CS..Hα-helixtrans-56.1-50.6172.3-72.3168.8000110.4L329 L332 L333 Q336 L362 Q363 K368 L369 Q370L329-I366 HydrophobicContact CD1-CG2 3.99Å; L332-I366 HydrophobicContact CB-CD1 4.05Å; L332-I366 HydrophobicContact CB-CG1 3.67Å; L332-I366 HydrophobicContact CD1-CG1 4.46Å; L333-I366 HydrophobicContact CD2-CD1 4.42Å; L333-I366 HydrophobicContact CD2-CG2 3.8Å; Q336-I366 HydrophobicContact CB-CD1 4.16Å; L362-I366 HydrophobicContact CD1-CD1 4.13Å; L362-I366 HydrophobicContact CD1-CG1 4.48Å; L362-I366 HydrophobicContact CG-CD1 3.96Å; L362-I366 VanDerWaalsContact O-CG1 3.32Å; L362-I366 WeakPolarHBondContact O-CG1 3.48Å; L362-I366 PolarHBondContact O-N 2.84Å; Q363-I366 PolarHBondContact O-N 2.79Å; I366-K368 PolarHBondContact O-N 3.36Å; I366-L369 PolarHBondContact O-N 3.49Å; I366-Q370 HydrophobicContact CG2-CG 4.3Å; I366-Q370 WeakPolarHBondContact O-CB 3.3Å; I366-Q370 VanDerWaalsContact O-CG 3.28Å; I366-Q370 WeakPolarHBondContact O-CG 3.29Å; I366-Q370 PolarHBondContact O-N 2.66Å
367N88.8Confident85.5Confident86 Ų8673.9 Ų73.946%0.4638%0.377SS..Hα-helixtrans-61.8-41-179.5-71.2-23.2000112.6Q363 Y365 L371Q363-N367 VanDerWaalsContact O-CG 3.29Å; Q363-N367 PolarHBondContact O-N 2.83Å; Q363-N367 PolarHBondContact O-ND2 2.83Å; Y365-N367 PolarHBondContact O-N 2.98Å; N367-L371 PolarHBondContact O-N 2.78Å; N367-L371 VanDerWaalsContact O-N 3.14Å
368K88.4Confident85.8Confident143 Ų14371.3 Ų71.362%0.62236%0.363SS*.Hα-helixtrans-65.7-41.9176.6-75.5174.5-174170.80111.9S364 Y365 I366 L371 A372S364-K368 WeakPolarHBondContact O-CG 3.49Å; S364-K368 PolarHBondContact O-N 2.87Å; S364-K368 VanDerWaalsContact O-N 3.08Å; Y365-K368 PolarHBondContact O-N 2.9Å; I366-K368 PolarHBondContact O-N 3.36Å; K368-L371 PolarHBondContact O-N 2.84Å; K368-A372 WeakPolarHBondContact O-CB 3.32Å; K368-A372 PolarHBondContact O-N 3.38Å
369L89Confident85.6Confident14 Ų1475.5 Ų75.57%0.07338%0.375CS..Hα-helixtrans-72.2-38.5-178.5-16564.6000111.4D325 R328 L329 L332 Y365 I366 L371 A372 V373D325-L369 HydrophobicContact CB-CD1 4.22Å; R328-L369 HydrophobicContact CB-CD2 4.12Å; R328-L369 HydrophobicContact CG-CD2 4.06Å; L329-L369 HydrophobicContact CB-CD2 3.86Å; L329-L369 HydrophobicContact CB-CG 4.28Å; L332-L369 HydrophobicContact CD1-CD2 3.89Å; Y365-L369 HydrophobicContact CE1-CD2 4.41Å; Y365-L369 WeakPolarHBondContact O-CB 3.46Å; Y365-L369 PolarHBondContact O-N 3.17Å; I366-L369 PolarHBondContact O-N 3.49Å; L369-L371 PolarHBondContact O-N 3.33Å; L369-A372 PolarHBondContact O-N 2.79Å; L369-V373 WeakPolarHBondContact O-CB 3.1Å; L369-V373 VanDerWaalsContact O-CG2 3.3Å; L369-V373 WeakPolarHBondContact O-CG2 3.23Å; L369-V373 PolarHBondContact O-N 2.8Å
370Q88.9Confident85.4Confident66 Ų6676.1 Ų76.131%0.30837%0.372SS..Hα-helixtrans-55.6-49.4170.6-77.8173.1-20.200111.5L329 I366 A372 V373 E374L329-Q370 HydrophobicContact CD1-CG 3.58Å; L329-Q370 HydrophobicContact CD2-CB 4.45Å; L329-Q370 HydrophobicContact CD2-CG 3.6Å; L329-Q370 HydrophobicContact CG-CG 4.22Å; I366-Q370 HydrophobicContact CG2-CG 4.3Å; I366-Q370 WeakPolarHBondContact O-CB 3.3Å; I366-Q370 VanDerWaalsContact O-CG 3.28Å; I366-Q370 WeakPolarHBondContact O-CG 3.29Å; I366-Q370 PolarHBondContact O-N 2.66Å; Q370-A372 VanDerWaalsContact C-N 3.31Å; Q370-A372 PolarHBondContact O-N 2.87Å; Q370-V373 PolarHBondContact O-N 2.95Å; Q370-E374 WeakPolarHBondContact O-CG 3.36Å; Q370-E374 PolarHBondContact O-N 3.37Å
371L89.2Confident84.9Confident98 Ų9874.4 Ų74.451%0.51337%0.368SS..Hα-helixtrans-62.8-39178.3-157.398.4000111.9N367 K368 L369 Q375N367-L371 PolarHBondContact O-N 2.78Å; N367-L371 VanDerWaalsContact O-N 3.14Å; K368-L371 PolarHBondContact O-N 2.84Å; L369-L371 PolarHBondContact O-N 3.33Å; L371-Q375 WeakPolarHBondContact O-CB 3.41Å; L371-Q375 VanDerWaalsContact O-CG 3.24Å; L371-Q375 WeakPolarHBondContact O-CG 3.1Å; L371-Q375 PolarHBondContact O-N 3.26Å
372A85.6Confident84Confident44 Ų4476.7 Ų76.736%0.36438%0.378SS..Hα-helixtrans-66.8-4117800000112.3K368 L369 Q370 G376K368-A372 WeakPolarHBondContact O-CB 3.32Å; K368-A372 PolarHBondContact O-N 3.38Å; L369-A372 PolarHBondContact O-N 2.79Å; Q370-A372 VanDerWaalsContact C-N 3.31Å; Q370-A372 PolarHBondContact O-N 2.87Å; A372-G376 PolarHBondContact O-N 3.42Å
373V89.4Confident82.8Confident5 Ų579.4 Ų79.43%0.0340%0.397CS..Hα-helixtrans-66.5-43.8176168.90000110.9L322 D325 Q326 L369 Q370 G376 R377L322-V373 HydrophobicContact CD1-CB 4.38Å; L322-V373 HydrophobicContact CD1-CG1 4.08Å; D325-V373 HydrophobicContact CB-CG2 3.85Å; Q326-V373 VanDerWaalsContact OE1-CG1 3.29Å; L369-V373 WeakPolarHBondContact O-CB 3.1Å; L369-V373 VanDerWaalsContact O-CG2 3.3Å; L369-V373 WeakPolarHBondContact O-CG2 3.23Å; L369-V373 PolarHBondContact O-N 2.8Å; Q370-V373 PolarHBondContact O-N 2.95Å; V373-G376 PolarHBondContact O-N 3.01Å; V373-R377 WeakPolarHBondContact O-CG 3.33Å; V373-R377 PolarHBondContact O-N 2.92Å
374E85.9Confident81.1Confident125 Ų12583.6 Ų83.658%0.58442%0.422SS*.Hα-helixtrans-61.2-45.5175.5-76.7-175.8169.400112Q370 G376 R377 L378Q370-E374 WeakPolarHBondContact O-CG 3.36Å; Q370-E374 PolarHBondContact O-N 3.37Å; E374-G376 VanDerWaalsContact C-N 3.31Å; E374-G376 PolarHBondContact O-N 2.57Å; E374-R377 PolarHBondContact O-N 3.43Å; E374-L378 WeakPolarHBondContact O-CG 3.41Å; E374-L378 PolarHBondContact O-N 3.39Å
375Q84.5Confident79.2Confident97 Ų9784.4 Ų84.445%0.45344%0.439SS..Hα-helixtrans-63.7-36.5174.8-73.2179.39.600112.4L371 K379L371-Q375 WeakPolarHBondContact O-CB 3.41Å; L371-Q375 VanDerWaalsContact O-CG 3.24Å; L371-Q375 WeakPolarHBondContact O-CG 3.1Å; L371-Q375 PolarHBondContact O-N 3.26Å; Q375-K379 VanDerWaalsContact O-CG 3.31Å; Q375-K379 WeakPolarHBondContact O-CG 3.46Å; Q375-K379 PolarHBondContact O-N 2.88Å
376G83.3Confident76.9Confident23 Ų2384.4 Ų84.424%0.23746%0.456CS..Hα-helixtrans-64.6-44.1174.900000112.5A372 V373 E374 K379 L380A372-G376 PolarHBondContact O-N 3.42Å; V373-G376 PolarHBondContact O-N 3.01Å; E374-G376 VanDerWaalsContact C-N 3.31Å; E374-G376 PolarHBondContact O-N 2.57Å; G376-K379 PolarHBondContact O-N 3.39Å; G376-L380 PolarHBondContact O-N 3.07Å; G376-L380 VanDerWaalsContact O-N 3.11Å
377R85.3Confident74.5Confident148 Ų14893.2 Ų93.256%0.55850%0.497SS*.Hα-helixtrans-62.6-44.1175-71.9176.789.7158.34.6111.8L322 V373 E374 K379 L380 L381L322-R377 HydrophobicContact CD1-CG 4.3Å; L322-R377 HydrophobicContact CD2-CG 3.8Å; L322-R377 HydrophobicContact CG-CG 4.5Å; V373-R377 WeakPolarHBondContact O-CG 3.33Å; V373-R377 PolarHBondContact O-N 2.92Å; E374-R377 PolarHBondContact O-N 3.43Å; R377-K379 VanDerWaalsContact C-N 3.34Å; R377-K379 PolarHBondContact O-N 3.3Å; R377-L380 PolarHBondContact O-N 3.19Å; R377-L381 WeakPolarHBondContact O-CD1 3.46Å; R377-L381 PolarHBondContact O-N 2.9Å
378L82.2Confident72.3Confident99 Ų9996.2 Ų96.252%0.51852%0.518SS..Hα-helixtrans-62.3-39.6177.4-76167.6000112.4E374 L380 L381 Q382E374-L378 WeakPolarHBondContact O-CG 3.41Å; E374-L378 PolarHBondContact O-N 3.39Å; L378-L380 VanDerWaalsContact C-N 3.35Å; L378-L381 PolarHBondContact O-N 3.44Å; L378-Q382 WeakPolarHBondContact O-CB 3.4Å; L378-Q382 WeakPolarHBondContact O-CG 3.41Å; L378-Q382 PolarHBondContact O-N 2.87Å
379K79.6Confident69.6Low136 Ų13694.8 Ų94.859%0.59153%0.526SS*.Hα-helixtrans-68.1-32.5176.4-75.1173.7-178.3174.60113Q375 G376 R377 S383Q375-K379 VanDerWaalsContact O-CG 3.31Å; Q375-K379 WeakPolarHBondContact O-CG 3.46Å; Q375-K379 PolarHBondContact O-N 2.88Å; G376-K379 PolarHBondContact O-N 3.39Å; R377-K379 VanDerWaalsContact C-N 3.34Å; R377-K379 PolarHBondContact O-N 3.3Å; K379-S383 PolarHBondContact O-N 3.06Å; K379-S383 PolarHBondContact O-OG 2.86Å
380L77.1Confident67.4Low53 Ų53102.9 Ų102.928%0.27756%0.563SS.*Hα-helixtrans-69.7-41.8174.7-146100.7000111.4E319 G376 R377 L378 S383E319-L380 HydrophobicContact CG-CD1 3.62Å; E319-L380 HydrophobicContact CG-CD2 4.09Å; E319-L380 HydrophobicContact CG-CG 4.44Å; G376-L380 PolarHBondContact O-N 3.07Å; G376-L380 VanDerWaalsContact O-N 3.11Å; R377-L380 PolarHBondContact O-N 3.19Å; L378-L380 VanDerWaalsContact C-N 3.35Å; L380-S383 PolarHBondContact O-N 2.96Å; L380-S383 PolarHBondContact O-OG 2.88Å
381L70.4Confident64.8Low130 Ų130106.9 Ų106.968%0.68159%0.586SS**Hα-helixtrans-66.9-34.4176.4-78.5155.5000112.6R377 L378R377-L381 WeakPolarHBondContact O-CD1 3.46Å; R377-L381 PolarHBondContact O-N 2.9Å; L378-L381 PolarHBondContact O-N 3.44Å
382Q65.4Low62Low135 Ų135110.6 Ų110.663%0.63160%0.601SS**Hα-helixtrans-76.2-21.5176.3-74.4175.6-2.400113.2L378 D384L378-Q382 WeakPolarHBondContact O-CB 3.4Å; L378-Q382 WeakPolarHBondContact O-CG 3.41Å; L378-Q382 PolarHBondContact O-N 2.87Å; Q382-D384 VanDerWaalsContact C-N 3.3Å; Q382-D384 PolarHBondContact O-N 3.13Å
383S59.8Low59.2Low59 Ų59117.1 Ų117.141%0.41362%0.624SS.*THydrogen-bonded Turntrans-76-13.1177.9510000115K379 L380K379-S383 PolarHBondContact O-N 3.06Å; K379-S383 PolarHBondContact O-OG 2.86Å; L380-S383 PolarHBondContact O-N 2.96Å; L380-S383 PolarHBondContact O-OG 2.88Å
384D50.4Low56.4Low159 Ų159122.7 Ų122.785%0.8566%0.66SS**THydrogen-bonded Turntrans-88.5-7.3177.3-1056.1000113.7Q382Q382-D384 VanDerWaalsContact C-N 3.3Å; Q382-D384 PolarHBondContact O-N 3.13Å
385G45.7Very low54Low70 Ų70123.2 Ų123.272%0.72267%0.671SS**SBendtrans-127.82.3-168.700000117.3
386A37.3Very low51.5Low82 Ų82126.1 Ų126.168%0.67869%0.69SS**  trans-100.5105.318000000111.1
387E38.6Very low49.5Very low186 Ų186133.9 Ų133.987%0.86972%0.72SS**  trans-51143.5154.8-74.2-171.5147.700109.9S389E387-S389 PolarHBondContact O-N 3.41Å
388V42.5Very low47.2Very low148 Ų148130.2 Ų130.290%0.89773%0.729SS**  trans-40.6104.8-179.2-175.20000111.3
389S32.1Very low44.7Very low113 Ų113133.8 Ų133.879%0.7975%0.748SS**  trans-112.9120.8162.8-152.20000108.3E387 L391E387-S389 PolarHBondContact O-N 3.41Å; S389-L391 PolarHBondContact O-N 3.33Å
390E43Very low42.5Very low184 Ų184130.8 Ų130.886%0.8676%0.756SS**  trans-45125.5-176.7-62.9173.8138.900112.3
391L33.2Very low40.5Very low151 Ų151135.2 Ų135.279%0.79179%0.785SS**  trans-147.5109.7157.8-98.1156000109.9S389S389-L391 PolarHBondContact O-N 3.33Å
392E31.3Very low38.6Very low176 Ų176133.4 Ų133.482%0.82279%0.789SS**  trans63.5103.3145.2-69.6178.3173.500119.8
393Q26.6Very low37Very low180 Ų180135.4 Ų135.484%0.84180%0.803SS**  trans-58.3130.6159.7-62.6170.8-0.300110.3V395Q393-V395 PolarHBondContact O-N 3.26Å
394P30Very low35.6Very low123 Ų123141.1 Ų141.180%0.79983%0.825SS**  trans-75116.4150.924.7-14.2000107.1D396P394-D396 PolarHBondContact O-N 3.48Å; P394-D396 VanDerWaalsContact O-N 3.16Å
395V36.3Very low34.7Very low135 Ų135140.7 Ų140.782%0.81882%0.823SS**  trans-56.6113.5166.1-133.10000107.4Q393Q393-V395 PolarHBondContact O-N 3.26Å
396D31.1Very low34.1Very low158 Ų158142.7 Ų142.785%0.84583%0.826SS**  trans-115.8110160.6-165.126.4000106.6P394P394-D396 PolarHBondContact O-N 3.48Å; P394-D396 VanDerWaalsContact O-N 3.16Å
397E42Very low34Very low186 Ų186146 Ų14687%0.86983%0.832SS**  trans-68130.2174.7-77.4-178.3135.500109.7
398G36.9Very low33.6Very low72 Ų72146.9 Ų146.974%0.74283%0.833SS**  trans116.778.3151.700000115.6
399D30Very low33.3Very low174 Ų174145.8 Ų145.893%0.9383%0.83SS**  trans-160.591.7130.2-125.6-9.1000109
400G33.1Very low33.4Very low73 Ų73149.7 Ų149.775%0.75384%0.836SS**  trans-98.7100.9174.100000109.7
401V34.1Very low32.8Very low145 Ų145147.9 Ų147.988%0.87983%0.832SS**  trans-162111.1136.3-1650000108.5
402A31.4Very low33.1Very low93 Ų93146.5 Ų146.577%0.76983%0.832SS**  trans168.787.714000000110.8
403L32.5Very low33.1Very low177 Ų177145.5 Ų145.593%0.92783%0.831SS**  trans-147.994.6153.3-89.3174.1000107.7
404M29.6Very low33.9Very low179 Ų179143 Ų14388%0.88283%0.833SS**  trans-149.3136.3148.5-108-171.814800109.5
405D30.6Very low34.1Very low149 Ų149146 Ų14680%0.79784%0.837SS**  trans83.784.9164.8-56.2-10.8000118.6
406S34.2Very low34Very low113 Ų113149.5 Ų149.579%0.7984%0.841SS**  trans-121.281.9150.964.30000109
407D34.7Very low34Very low152 Ų152147.8 Ų147.881%0.81384%0.841SS**  trans-149.174.7168.7-95.6-26.9000110.5
408F30.4Very low33.8Very low203 Ų203143 Ų14389%0.8983%0.834SS**  trans-146125.9151-80.9-76.2000108.7
409P35.5Very low34.1Very low126 Ų126143.5 Ų143.582%0.81884%0.838SS**PPolyproline II helixtrans-74.1127176.925.3-23.8000110.1D411P409-D411 PolarHBondContact O-N 3.05Å
410E35Very low34.5Very low195 Ų195141 Ų14191%0.91183%0.829SS**PPolyproline II helixtrans-71.1118.4172.9-70.8-168.9153.800110.6
411D30Very low35Very low146 Ų146144 Ų14478%0.78183%0.832SS**PPolyproline II helixtrans-81132.2165.1-99.5-31.1000110.1P409 L413P409-D411 PolarHBondContact O-N 3.05Å; D411-L413 PolarHBondContact O-N 3.01Å
412P39.6Very low35.7Very low121 Ų121145 Ų14579%0.78683%0.827SS**  trans-8991.5177.534.4-29.4000109.8
413L32.1Very low36.7Very low156 Ų156146.3 Ų146.382%0.81783%0.828SS**  trans-113.4100.7164.1-72.7175.2000110.5D411 E415D411-L413 PolarHBondContact O-N 3.01Å; L413-E415 PolarHBondContact O-N 3.16Å
414S42.8Very low38.2Very low126 Ų126142.4 Ų142.488%0.88182%0.822SS**  trans-65.9103.6162.6169.70000109.4
415E34.1Very low40.5Very low186 Ų186139.6 Ų139.687%0.86981%0.805SS**  trans-130.4138.7160.9-75.4-161.5156.200112.1L413L413-E415 PolarHBondContact O-N 3.16Å
416K34.8Very low43.1Very low210 Ų210135.6 Ų135.691%0.91378%0.783SS**  trans-51.7131-166.7-69.6162.2177171.70113.6A418K416-A418 PolarHBondContact O-N 2.8Å; K416-A418 VanDerWaalsContact O-N 3.09Å
417S31.3Very low45.6Very low121 Ų121131.2 Ų131.285%0.84675%0.751SS**  trans-62.9103.6172.546.50000112.2
418A37.4Very low48.1Very low87 Ų87125.1 Ų125.172%0.71972%0.721SS**  trans-70.4127.4149.100000107.2K416 V420K416-A418 PolarHBondContact O-N 2.8Å; K416-A418 VanDerWaalsContact O-N 3.09Å; A418-V420 VanDerWaalsContact C-N 3.34Å; A418-V420 PolarHBondContact O-N 2.76Å
419G42.4Very low50.8Low81 Ų81120.9 Ų120.984%0.83570%0.704SS**  trans-60.888.4-175.700000112.9V421G419-V421 PolarHBondContact O-N 3.17Å
420V39.8Very low53.4Low122 Ų122119.7 Ų119.774%0.73968%0.684SS**  trans-79.5105.6158.2-179.70000105.5A418 Q422A418-V420 VanDerWaalsContact C-N 3.34Å; A418-V420 PolarHBondContact O-N 2.76Å; V420-Q422 VanDerWaalsContact C-N 3.32Å; V420-Q422 PolarHBondContact O-N 3.08Å
421V43.9Very low56.1Low135 Ų135111.2 Ų111.282%0.81865%0.645SS**  trans-61.4100.8166.31780000106.1G419G419-V421 PolarHBondContact O-N 3.17Å
422Q47.5Very low59.2Low166 Ų166104.9 Ų104.978%0.77661%0.61SS**PPolyproline II helixtrans-58.9130169.4-73.7-175.24.400107.3V420 A424V420-Q422 VanDerWaalsContact C-N 3.32Å; V420-Q422 PolarHBondContact O-N 3.08Å; Q422-A424 PolarHBondContact O-N 3.07Å; Q422-A424 VanDerWaalsContact O-N 3.13Å
423P52.8Low61.8Low121 Ų12199.1 Ų99.179%0.78657%0.573SS**PPolyproline II helixtrans-53.7124.4175-19.729.6000108.2F425P423-F425 PolarHBondContact O-N 2.99Å; P423-F425 VanDerWaalsContact O-N 3.11Å
424A64.3Low64.8Low95 Ų9594.3 Ų94.379%0.78555%0.546SS*.PPolyproline II helixtrans-57121.8177.900000108.5Q422 N426Q422-A424 PolarHBondContact O-N 3.07Å; Q422-A424 VanDerWaalsContact O-N 3.13Å; A424-N426 PolarHBondContact O-N 2.98Å
425F77.8Confident67.3Low120 Ų12088.3 Ų88.353%0.52650%0.504SS..  trans-60.8109179.1178.4-111.6000109.6V289 P423 M427 Y430V289-F425 HydrophobicContact CG1-CD1 4.41Å; V289-F425 HydrophobicContact CG1-CE1 4.21Å; P423-F425 PolarHBondContact O-N 2.99Å; P423-F425 VanDerWaalsContact O-N 3.11Å; F425-M427 HydrophobicContact CD1-CE 3.96Å; F425-M427 HydrophobicContact CE1-CE 3.35Å; F425-M427 HydrophobicContact CE1-SD 4.27Å; F425-M427 HydrophobicContact CZ-CE 4.32Å; F425-Y430 AromaticContact CE2-CD2 3.89Å; F425-Y430 HydrophobicContact CE2-CD2 3.89Å; F425-Y430 HydrophobicContact CE2-CG 4.04Å; F425-Y430 HydrophobicContact CZ-CD1 4.23Å; F425-Y430 AromaticContact CZ-CD2 3.92Å; F425-Y430 HydrophobicContact CZ-CD2 3.92Å; F425-Y430 AromaticContact CZ-CG 3.7Å; F425-Y430 HydrophobicContact CZ-CG 3.7Å
426N85.1Confident70.3Confident66 Ų6679.5 Ų79.535%0.35346%0.463SS..  trans-89.7110.7179-174.3-13.9000109.9A424 A428 E429 Y430A424-N426 PolarHBondContact O-N 2.98Å; N426-A428 VanDerWaalsContact C-N 3.27Å; N426-A428 PolarHBondContact O-N 3.22Å; N426-A428 WeakPolarHBondContact OD1-CB 3.28Å; N426-A428 PolarHBondContact OD1-N 2.87Å; N426-E429 HydrophobicContact CB-CB 3.96Å; N426-E429 HydrophobicContact CB-CG 4Å; N426-E429 WeakPolarHBondContact ND2-CG 3.46Å; N426-E429 PolarHBondContact ND2-OE1 3.38Å; N426-E429 PolarHBondContact O-N 2.78Å; N426-Y430 PolarHBondContact O-N 3.45Å
427M85.8Confident73.2Confident20 Ų2071.8 Ų71.810%0.09943%0.433CS..Hα-helixtrans-57.6-40.1179.5-17054.851.500113.4F285 V289 P290 F425 Y430 H431F285-M427 HydrophobicContact CD2-CB 4.46Å; F285-M427 HydrophobicContact CD2-CG 3.69Å; F285-M427 HydrophobicContact CE2-CG 4.19Å; F285-M427 HydrophobicContact CG-CG 4.48Å; V289-M427 HydrophobicContact CB-CE 3.72Å; V289-M427 HydrophobicContact CG1-CE 3.56Å; V289-M427 HydrophobicContact CG2-CE 3.79Å; P290-M427 VanDerWaalsContact CD-CE 3.42Å; P290-M427 WeakPolarHBondContact CD-SD 3.26Å; P290-M427 HydrophobicContact CG-SD 4.06Å; F425-M427 HydrophobicContact CD1-CE 3.96Å; F425-M427 HydrophobicContact CE1-CE 3.35Å; F425-M427 HydrophobicContact CE1-SD 4.27Å; F425-M427 HydrophobicContact CZ-CE 4.32Å; M427-Y430 PolarHBondContact O-N 2.92Å; M427-H431 PolarHBondContact O-N 3.33Å; M427-H431 PolarHBondContact O-ND1 2.84Å; M427-H431 PolarHBondContact SD-CE1 3.06Å
428A87.1Confident76.3Confident24 Ų2467 Ų6720%0.19840%0.397CS..Hα-helixtrans-67.9-44.6-177.300000110.1Q282 F285 N426 Y430 H431 Q432Q282-A428 PolarHBondContact NE2-O 3.32Å; Q282-A428 PolarHBondContact OE1-O 2.93Å; F285-A428 HydrophobicContact CE1-CB 3.86Å; F285-A428 HydrophobicContact CE2-CB 4.22Å; F285-A428 HydrophobicContact CZ-CB 3.54Å; N426-A428 VanDerWaalsContact C-N 3.27Å; N426-A428 PolarHBondContact O-N 3.22Å; N426-A428 WeakPolarHBondContact OD1-CB 3.28Å; N426-A428 PolarHBondContact OD1-N 2.87Å; A428-Y430 PolarHBondContact O-N 3.41Å; A428-H431 CarbonylContact O-C 3.48Å; A428-H431 PolarHBondContact O-N 3.5Å; A428-H431 VanDerWaalsContact O-N 3.16Å; A428-Q432 WeakPolarHBondContact O-CG 3.48Å
429E88.6Confident79.1Confident114 Ų11464 Ų6453%0.53337%0.367SS..Hα-helixtrans-63.1-39.2176.2-72.6170.3-158.900112.1N426 H431 Q432N426-E429 HydrophobicContact CB-CB 3.96Å; N426-E429 HydrophobicContact CB-CG 4Å; N426-E429 WeakPolarHBondContact ND2-CG 3.46Å; N426-E429 PolarHBondContact ND2-OE1 3.38Å; N426-E429 PolarHBondContact O-N 2.78Å; E429-H431 PolarHBondContact O-N 2.98Å; E429-Q432 WeakPolarHBondContact O-CB 3.44Å; E429-Q432 PolarHBondContact O-N 3.33Å
430Y89.9Confident81.7Confident101 Ų10160.1 Ų60.140%0.39633%0.328SS..Hα-helixtrans-58.6-32.5175.2-180-103.8000112.6H238 F425 N426 M427 A428 Q432H238-Y430 AromaticContact CE1-CD1 3.65Å; H238-Y430 AromaticContact CE1-CE1 3.35Å; H238-Y430 WeakPolarHBondContact CE1-CE1 3.49Å; H238-Y430 PolarHBondContact CE1-O 3.23Å; H238-Y430 AromaticContact NE2-CD1 3.94Å; H238-Y430 AromaticContact NE2-CE1 3.73Å; H238-Y430 PolarHBondContact NE2-O 3.38Å; F425-Y430 AromaticContact CE2-CD2 3.89Å; F425-Y430 HydrophobicContact CE2-CD2 3.89Å; F425-Y430 HydrophobicContact CE2-CG 4.04Å; F425-Y430 HydrophobicContact CZ-CD1 4.23Å; F425-Y430 AromaticContact CZ-CD2 3.92Å; F425-Y430 HydrophobicContact CZ-CD2 3.92Å; F425-Y430 AromaticContact CZ-CG 3.7Å; F425-Y430 HydrophobicContact CZ-CG 3.7Å; N426-Y430 PolarHBondContact O-N 3.45Å; M427-Y430 PolarHBondContact O-N 2.92Å; A428-Y430 PolarHBondContact O-N 3.41Å; Y430-Q432 VanDerWaalsContact C-N 3.33Å
431H91.9Very high84.4Confident18 Ų1858.9 Ų58.98%0.08331%0.31CS..THydrogen-bonded Turntrans-91.917.2178.7-68.986.4000113.5H238 Q282 L283 F285 M427 A428 E429H238-H431 AromaticContact CE1-CD2 3.59Å; H238-H431 AromaticContact CE1-CG 3.95Å; H238-H431 AromaticContact ND1-CD2 3.93Å; Q282-H431 PolarHBondContact NE2-O 3.47Å; L283-H431 HydrophobicContact CB-CB 4.29Å; L283-H431 VanDerWaalsContact CB-O 3.3Å; L283-H431 WeakPolarHBondContact CB-O 3.46Å; L283-H431 PolarHBondContact N-O 2.92Å; F285-H431 HydrophobicContact CB-CB 3.93Å; F285-H431 WeakPolarHBondContact CB-ND1 3.49Å; F285-H431 HydrophobicContact CD1-CB 4.15Å; F285-H431 HydrophobicContact CG-CB 4.3Å; M427-H431 PolarHBondContact O-N 3.33Å; M427-H431 PolarHBondContact O-ND1 2.84Å; M427-H431 PolarHBondContact SD-CE1 3.06Å; A428-H431 CarbonylContact O-C 3.48Å; A428-H431 PolarHBondContact O-N 3.5Å; A428-H431 VanDerWaalsContact O-N 3.16Å; E429-H431 PolarHBondContact O-N 2.98Å
432Q93.6Very high86.9Confident12 Ų1252.5 Ų52.56%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-94.5128.7173.6-71.2171.813.200111.3I281 Q282 A428 E429 Y430 F434I281-Q432 CarbonylContact O-C 3.59Å; I281-Q432 WeakPolarHBondContact O-CA 3.35Å; Q282-Q432 VanDerWaalsContact OE1-CG 3.3Å; Q282-Q432 VanDerWaalsContact OE1-NE2 3.11Å; A428-Q432 WeakPolarHBondContact O-CG 3.48Å; E429-Q432 WeakPolarHBondContact O-CB 3.44Å; E429-Q432 PolarHBondContact O-N 3.33Å; Y430-Q432 VanDerWaalsContact C-N 3.33Å; Q432-F434 HydrophobicContact CB-CE2 4.14Å
433L95.1Very high89.2Confident0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-92.6118.5170-55.4178.1000109.2Y235 I242 R280 I281 L283 V435Y235-L433 HydrophobicContact CD1-CD2 4.22Å; Y235-L433 HydrophobicContact CD2-CD2 3.44Å; Y235-L433 VanDerWaalsContact CD2-CD2 3.44Å; Y235-L433 HydrophobicContact CE2-CB 4.27Å; Y235-L433 HydrophobicContact CE2-CD2 3.82Å; Y235-L433 HydrophobicContact CG-CD2 3.66Å; I242-L433 HydrophobicContact CD1-CD2 4.18Å; I242-L433 HydrophobicContact CG1-CD1 4.14Å; I242-L433 HydrophobicContact CG1-CD2 4.48Å; R280-L433 CarbonylContact C-O 3.59Å; R280-L433 WeakPolarHBondContact CA-O 3.43Å; I281-L433 HydrophobicContact CB-CB 4.29Å; I281-L433 PolarHBondContact N-O 3Å; I281-L433 PolarHBondContact O-N 3.45Å; L283-L433 HydrophobicContact CD1-CD1 3.91Å; L283-L433 HydrophobicContact CD1-CD2 3.69Å; L283-L433 HydrophobicContact CD1-CG 3.71Å; L283-L433 HydrophobicContact CD2-CD1 3.9Å; L283-L433 HydrophobicContact CD2-CG 4.46Å; L283-L433 HydrophobicContact CG-CD1 3.86Å; L283-L433 HydrophobicContact CG-CD2 4.4Å; L283-L433 HydrophobicContact CG-CG 3.86Å; L433-V435 HydrophobicContact CB-CG2 4.24Å
434F95.1Very high91.4Very high56 Ų5638.9 Ų38.925%0.24620%0.197CC..EExtended strand (participates in β ladder)trans-87114171-60.6-111.1000108.6K234 Y235 V278 R280 Q432K234-F434 PolarHBondContact NZ-O 3.3Å; Y235-F434 WeakPolarHBondContact OH-CA 3.47Å; Y235-F434 VanDerWaalsContact OH-CB 3.28Å; Y235-F434 WeakPolarHBondContact OH-CB 3.49Å; Y235-F434 PolarHBondContact OH-N 3.49Å; Y235-F434 PolarHBondContact OH-O 3Å; V278-F434 HydrophobicContact CG2-CB 3.95Å; V278-F434 HydrophobicContact CG2-CD1 4.35Å; R280-F434 HydrophobicContact CG-CD1 3.94Å; R280-F434 HydrophobicContact CG-CE1 3.92Å; Q432-F434 HydrophobicContact CB-CE2 4.14Å
435V95.9Very high92.9Very high0 Ų034.3 Ų34.30%016%0.159CC..EExtended strand (participates in β ladder)trans-116.9109.8-176.8-164.80000108.5L231 L250 H279 I281 L433 E438 R439L231-V435 HydrophobicContact CD1-CG2 4.29Å; L231-V435 HydrophobicContact CD2-CG2 4.18Å; L250-V435 HydrophobicContact CD1-CG2 4.08Å; L250-V435 HydrophobicContact CD2-CG1 3.98Å; H279-V435 PolarHBondContact N-O 2.85Å; H279-V435 PolarHBondContact O-N 3.33Å; I281-V435 HydrophobicContact CG1-CG2 3.95Å; L433-V435 HydrophobicContact CB-CG2 4.24Å; V435-E438 HydrophobicContact CG1-CB 3.94Å; V435-R439 HydrophobicContact CB-CG 4.49Å; V435-R439 HydrophobicContact CG1-CG 3.83Å; V435-R439 WeakPolarHBondContact O-CD 3.37Å
436G95.3Very high93.8Very high1 Ų129 Ų291%0.0114%0.136CC..SBendtrans-114.5-104.2-176.200000110.1W268 E438 R439W268-G436 VanDerWaalsContact CZ3-CA 3.4Å; G436-E438 PolarHBondContact N-OE2 3.39Å; G436-E438 PolarHBondContact O-N 2.84Å; G436-E438 VanDerWaalsContact O-N 3.11Å; G436-R439 VanDerWaalsContact O-CB 3.25Å; G436-R439 WeakPolarHBondContact O-CB 3.41Å; G436-R439 VanDerWaalsContact O-CG 3.23Å; G436-R439 WeakPolarHBondContact O-CG 3.41Å; G436-R439 PolarHBondContact O-N 3.34Å
437T96.1Very high94.4Very high47 Ų4726.4 Ų26.429%0.28812%0.122SC..THydrogen-bonded Turntrans-61.2-22.2-177.5540000113.7L265 W268 R439 L440 R441L265-T437 HydrophobicContact CD2-CG2 4.23Å; W268-T437 HydrophobicContact CB-CG2 3.6Å; W268-T437 HydrophobicContact CD2-CG2 3.85Å; W268-T437 HydrophobicContact CE3-CG2 4.19Å; W268-T437 HydrophobicContact CG-CG2 3.59Å; T437-R439 PolarHBondContact O-N 2.85Å; T437-R439 VanDerWaalsContact O-N 3.13Å; T437-L440 WeakPolarHBondContact O-CD2 3.38Å; T437-L440 WeakPolarHBondContact O-CG 3.34Å; T437-L440 PolarHBondContact O-N 3Å; T437-L440 VanDerWaalsContact O-N 3.14Å; T437-R441 VanDerWaalsContact O-CB 3.26Å; T437-R441 WeakPolarHBondContact O-CB 3.39Å; T437-R441 PolarHBondContact O-N 3.17Å
438E96.7Very high94.9Very high21 Ų2128.4 Ų28.410%0.09813%0.131CC..Hα-helixtrans-57.6-27.3174.6-5587.7166.800111.9L227 L230 L231 K234 V435 G436 L440 C442L227-E438 HydrophobicContact CD1-CB 3.93Å; L230-E438 HydrophobicContact CD1-CG 4.38Å; L231-E438 HydrophobicContact CD2-CG 4.49Å; K234-E438 WeakPolarHBondContact CD-OE1 3.23Å; K234-E438 IonicContact NZ-OE1 3.86Å; K234-E438 PolarHBondContact NZ-OE1 3.46Å; K234-E438 IonicContact NZ-OE2 3.37Å; V435-E438 HydrophobicContact CG1-CB 3.94Å; G436-E438 PolarHBondContact N-OE2 3.39Å; G436-E438 PolarHBondContact O-N 2.84Å; G436-E438 VanDerWaalsContact O-N 3.11Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.01Å; E438-C442 PolarHBondContact O-N 3.16Å; E438-C442 PolarHBondContact O-SG 3.04Å; E438-C442 VanDerWaalsContact O-SG 3.35Å
439R96.1Very high95.4Very high23 Ų2327.4 Ų27.49%0.08712%0.122CC..Hα-helixtrans-63.6-33177.7-62.5171.160.5-148.8-7.6113.6H254 S255 Y256 E277 H279 V435 G436 T437 P443H254-R439 PolarHBondContact O-NE 3.02Å; H254-R439 PolarHBondContact O-NH2 3.2Å; S255-R439 WeakPolarHBondContact CA-O 3.45Å; S255-R439 WeakPolarHBondContact CB-O 3.35Å; S255-R439 PolarHBondContact OG-O 3.33Å; Y256-R439 HydrophobicContact CD1-CB 4.38Å; Y256-R439 HydrophobicContact CE1-CB 4.16Å; Y256-R439 PolarHBondContact N-O 3.4Å; Y256-R439 VanDerWaalsContact N-O 3.12Å; E277-R439 PolarHBondContact O-NH1 3.3Å; H279-R439 PolarHBondContact CD2-NH1 3.33Å; H279-R439 VanDerWaalsContact CE1-CZ 3.44Å; H279-R439 PolarHBondContact CE1-NH2 2.63Å; H279-R439 PolarHBondContact NE2-NH1 3.27Å; H279-R439 PolarHBondContact NE2-NH2 3.31Å; V435-R439 HydrophobicContact CB-CG 4.49Å; V435-R439 HydrophobicContact CG1-CG 3.83Å; V435-R439 WeakPolarHBondContact O-CD 3.37Å; G436-R439 VanDerWaalsContact O-CB 3.25Å; G436-R439 WeakPolarHBondContact O-CB 3.41Å; G436-R439 VanDerWaalsContact O-CG 3.23Å; G436-R439 WeakPolarHBondContact O-CG 3.41Å; G436-R439 PolarHBondContact O-N 3.34Å; T437-R439 PolarHBondContact O-N 2.85Å; T437-R439 VanDerWaalsContact O-N 3.13Å; R439-P443 WeakPolarHBondContact O-CD 3.47Å
440L96.3Very high95.7Very high0 Ų026 Ų260%013%0.126CC..Hα-helixtrans-101.2-28.7175.466143.9000112.8Y256 A258 Y261 E264 L265 W268 T437 E438 C442 P443 E444Y256-L440 HydrophobicContact CE2-CB 4.04Å; A258-L440 HydrophobicContact CB-CB 4.31Å; A258-L440 HydrophobicContact CB-CD1 3.95Å; Y261-L440 HydrophobicContact CD2-CD1 3.74Å; Y261-L440 HydrophobicContact CE2-CD1 3.67Å; Y261-L440 HydrophobicContact CE2-CG 4.3Å; E264-L440 HydrophobicContact CB-CD1 4.16Å; E264-L440 HydrophobicContact CG-CD1 4.05Å; L265-L440 HydrophobicContact CD2-CD1 4.2Å; L265-L440 HydrophobicContact CG-CD1 4.42Å; W268-L440 HydrophobicContact CZ2-CD2 4.24Å; T437-L440 WeakPolarHBondContact O-CD2 3.38Å; T437-L440 WeakPolarHBondContact O-CG 3.34Å; T437-L440 PolarHBondContact O-N 3Å; T437-L440 VanDerWaalsContact O-N 3.14Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.01Å; L440-C442 PolarHBondContact O-N 3.16Å; L440-P443 WeakPolarHBondContact O-CD 3.34Å; L440-E444 WeakPolarHBondContact O-CB 3.48Å; L440-E444 PolarHBondContact O-N 3.37Å; L440-E444 VanDerWaalsContact O-N 3.16Å
441R96.9Very high96Very high97 Ų9723.3 Ų23.337%0.36612%0.118SC..Hα-helixtrans-67.6-35.2-176.9-171.7175.2-177.1148.96112.6Y226 T437 E444Y226-R441 HydrophobicContact CE1-CG 4.11Å; Y226-R441 PolarHBondContact OH-NE 3.07Å; T437-R441 VanDerWaalsContact O-CB 3.26Å; T437-R441 WeakPolarHBondContact O-CB 3.39Å; T437-R441 PolarHBondContact O-N 3.17Å; R441-E444 PolarHBondContact O-N 2.94Å
442C97.1Very high96.2Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-73-43-179.1-63.30000113.2Y226 L227 L251 E438 L440 E444 I445Y226-C442 HydrophobicContact CD1-CB 4.43Å; L227-C442 VanDerWaalsContact CA-SG 3.54Å; L227-C442 HydrophobicContact CB-CB 4.29Å; L227-C442 VanDerWaalsContact CB-SG 3.54Å; L251-C442 HydrophobicContact CD1-CB 4.01Å; E438-C442 PolarHBondContact O-N 3.16Å; E438-C442 PolarHBondContact O-SG 3.04Å; E438-C442 VanDerWaalsContact O-SG 3.35Å; L440-C442 PolarHBondContact O-N 3.16Å; C442-E444 VanDerWaalsContact C-N 3.31Å; C442-E444 PolarHBondContact O-N 3.25Å; C442-I445 VanDerWaalsContact O-CG1 3.28Å; C442-I445 WeakPolarHBondContact O-CG1 3.47Å
443P96.4Very high96.2Very high1 Ų127.2 Ų27.21%0.00615%0.153CC..Hα-helixtrans-66.3-27.4169.9-25.736.5000114.4L251 R439 L440 I445 L446L251-P443 HydrophobicContact CD1-CG 4.14Å; R439-P443 WeakPolarHBondContact O-CD 3.47Å; L440-P443 WeakPolarHBondContact O-CD 3.34Å; P443-I445 PolarHBondContact O-N 3.06Å; P443-I445 VanDerWaalsContact O-N 3.09Å; P443-L446 PolarHBondContact O-N 3.11Å; P443-L446 VanDerWaalsContact O-N 3.16Å
444E97.4Very high96.1Very high0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-60.3-21.5-179.2-170.264.7-160.400112.8Y261 L440 R441 C442 L446 F447 Q448 L451 R497Y261-E444 HydrophobicContact CD1-CG 4.27Å; Y261-E444 HydrophobicContact CD2-CB 4.03Å; Y261-E444 HydrophobicContact CD2-CG 3.59Å; Y261-E444 WeakPolarHBondContact CD2-OE2 3.45Å; Y261-E444 HydrophobicContact CE1-CG 4.29Å; Y261-E444 HydrophobicContact CE2-CB 3.81Å; Y261-E444 HydrophobicContact CE2-CG 3.66Å; Y261-E444 HydrophobicContact CG-CG 3.93Å; L440-E444 WeakPolarHBondContact O-CB 3.48Å; L440-E444 PolarHBondContact O-N 3.37Å; L440-E444 VanDerWaalsContact O-N 3.16Å; R441-E444 PolarHBondContact O-N 2.94Å; C442-E444 VanDerWaalsContact C-N 3.31Å; C442-E444 PolarHBondContact O-N 3.25Å; E444-L446 PolarHBondContact O-N 2.78Å; E444-F447 CarbonylContact O-C 3.6Å; E444-F447 WeakPolarHBondContact O-CA 3.3Å; E444-F447 PolarHBondContact O-N 2.97Å; E444-Q448 HydrophobicContact CG-CB 4.44Å; E444-Q448 HydrophobicContact CG-CG 4.42Å; E444-Q448 PolarHBondContact O-N 3.43Å; E444-L451 HydrophobicContact CB-CD1 4.03Å; E444-L451 HydrophobicContact CG-CD1 3.96Å; E444-R497 IonicContact OE1-CZ 2.81Å; E444-R497 IonicContact OE1-NH1 3.75Å; E444-R497 PolarHBondContact OE1-NH1 3.02Å; E444-R497 IonicContact OE1-NH2 3.67Å; E444-R497 PolarHBondContact OE1-NH2 3.32Å; E444-R497 IonicContact OE2-CZ 3.75Å; E444-R497 IonicContact OE2-NH1 3.14Å; E444-R497 PolarHBondContact OE2-NH1 3.26Å; E444-R497 IonicContact OE2-NH2 2.79Å
445I97.2Very high96.1Very high0 Ų035.8 Ų35.80%020%0.199CC..THydrogen-bonded Turntrans-60.1-21.3177.875.7175.2000113.3V218 Q222 A223 Y226 C442 P443 F447 Q448 P449 L451 I452V218-I445 HydrophobicContact CG1-CB 4.08Å; V218-I445 HydrophobicContact CG1-CD1 3.51Å; V218-I445 HydrophobicContact CG1-CG1 3.5Å; V218-I445 VanDerWaalsContact CG1-CG1 3.5Å; Q222-I445 HydrophobicContact CB-CD1 3.96Å; A223-I445 VanDerWaalsContact CA-CD1 3.46Å; A223-I445 HydrophobicContact CB-CD1 3.7Å; A223-I445 HydrophobicContact CB-CG1 4.34Å; Y226-I445 HydrophobicContact CD1-CG2 3.77Å; Y226-I445 HydrophobicContact CE1-CG2 3.97Å; C442-I445 VanDerWaalsContact O-CG1 3.28Å; C442-I445 WeakPolarHBondContact O-CG1 3.47Å; P443-I445 PolarHBondContact O-N 3.06Å; P443-I445 VanDerWaalsContact O-N 3.09Å; I445-F447 PolarHBondContact O-N 2.85Å; I445-Q448 CarbonylContact O-C 3.55Å; I445-P449 WeakPolarHBondContact O-CA 3.3Å; I445-P449 WeakPolarHBondContact O-CG 3.49Å; I445-L451 HydrophobicContact CG2-CB 4.19Å; I445-L451 HydrophobicContact CG2-CD1 4.39Å; I445-I452 HydrophobicContact CD1-CD1 4.36Å; I445-I452 HydrophobicContact CG2-CG2 3.91Å
446L97Very high96Very high7 Ų739 Ų394%0.03721%0.214CC..THydrogen-bonded Turntrans-65.7-30.2172.8-69.3175.9000111.9P443 E444 L459 N488 M494P443-L446 PolarHBondContact O-N 3.11Å; P443-L446 VanDerWaalsContact O-N 3.16Å; E444-L446 PolarHBondContact O-N 2.78Å; L446-L459 WeakPolarHBondContact O-CB 3.35Å; L446-L459 PolarHBondContact O-N 2.98Å; L446-N488 HydrophobicContact CD1-CB 4.24Å; L446-M494 HydrophobicContact CD1-CE 3.84Å
447F97.3Very high96Very high12 Ų1242.8 Ų42.85%0.05323%0.232CC..THydrogen-bonded Turntrans-98.8-33.4179.3-59.1-80.6000111.8E444 I445 G458 M460 M494 R497 V498E444-F447 CarbonylContact O-C 3.6Å; E444-F447 WeakPolarHBondContact O-CA 3.3Å; E444-F447 PolarHBondContact O-N 2.97Å; I445-F447 PolarHBondContact O-N 2.85Å; F447-G458 WeakPolarHBondContact O-CA 3.41Å; F447-M460 HydrophobicContact CD1-CG 3.69Å; F447-M460 HydrophobicContact CE1-CG 3.68Å; F447-M460 HydrophobicContact CE1-SD 4.29Å; F447-M494 HydrophobicContact CE2-CE 4.28Å; F447-M494 HydrophobicContact CE2-SD 3.89Å; F447-M494 HydrophobicContact CZ-SD 3.55Å; F447-M494 VanDerWaalsContact CZ-SD 3.55Å; F447-R497 HydrophobicContact CD1-CG 4.4Å; F447-R497 HydrophobicContact CE1-CG 3.75Å; F447-R497 HydrophobicContact CE2-CG 3.89Å; F447-R497 HydrophobicContact CZ-CB 4.28Å; F447-R497 HydrophobicContact CZ-CG 3.45Å; F447-R497 VanDerWaalsContact CZ-CG 3.45Å; F447-V498 HydrophobicContact CE1-CG2 4.44Å; F447-V498 HydrophobicContact CZ-CG2 4.48Å
448Q96.6Very high96Very high62 Ų6240.5 Ų40.529%0.2922%0.219SC..  trans-129.277.5179.9-62.1-174.5-14.100111.5E444 I445 S450 L451E444-Q448 HydrophobicContact CG-CB 4.44Å; E444-Q448 HydrophobicContact CG-CG 4.42Å; E444-Q448 PolarHBondContact O-N 3.43Å; I445-Q448 CarbonylContact O-C 3.55Å; Q448-S450 PolarHBondContact O-N 3.33Å; Q448-S450 VanDerWaalsContact O-N 3.12Å; Q448-L451 HydrophobicContact CB-CD1 4.11Å; Q448-L451 HydrophobicContact CB-CG 4.11Å; Q448-L451 WeakPolarHBondContact O-CB 3.41Å; Q448-L451 WeakPolarHBondContact O-CG 3.28Å; Q448-L451 PolarHBondContact O-N 2.93Å; Q448-L451 VanDerWaalsContact O-N 3.16Å
449P96.8Very high96Very high3 Ų339.6 Ų39.62%0.01922%0.215CC..G310 helixtrans-57-25.9178-29.238000114.6V218 I445 L451 I452 E454 Q456V218-P449 HydrophobicContact CG2-CB 4.12Å; V218-P449 HydrophobicContact CG2-CG 4.5Å; I445-P449 WeakPolarHBondContact O-CA 3.3Å; I445-P449 WeakPolarHBondContact O-CG 3.49Å; P449-L451 PolarHBondContact O-N 3.11Å; P449-L451 VanDerWaalsContact O-N 3.07Å; P449-I452 WeakPolarHBondContact O-CG1 3.32Å; P449-I452 PolarHBondContact O-N 2.98Å; P449-I452 VanDerWaalsContact O-N 3.08Å; P449-E454 CarbonylContact C-O 3.3Å; P449-E454 HydrophobicContact CB-CB 4Å; P449-E454 PolarHBondContact O-N 3.31Å; P449-Q456 WeakPolarHBondContact CG-O 3.41Å
450S95.6Very high96.1Very high86 Ų8638.9 Ų38.960%0.60121%0.212SC*.G310 helixtrans-58.1-21.8177.459.10000113.9Q448 I452 G453Q448-S450 PolarHBondContact O-N 3.33Å; Q448-S450 VanDerWaalsContact O-N 3.12Å; S450-I452 PolarHBondContact O-N 2.82Å; S450-G453 PolarHBondContact O-N 3.13Å
451L95.2Very high96.1Very high44 Ų4443.7 Ų43.723%0.2324%0.235CC..G310 helixtrans-59.9-24.5175.1-69.6176.6000113.8E444 I445 Q448 P449E444-L451 HydrophobicContact CB-CD1 4.03Å; E444-L451 HydrophobicContact CG-CD1 3.96Å; I445-L451 HydrophobicContact CG2-CB 4.19Å; I445-L451 HydrophobicContact CG2-CD1 4.39Å; Q448-L451 HydrophobicContact CB-CD1 4.11Å; Q448-L451 HydrophobicContact CB-CG 4.11Å; Q448-L451 WeakPolarHBondContact O-CB 3.41Å; Q448-L451 WeakPolarHBondContact O-CG 3.28Å; Q448-L451 PolarHBondContact O-N 2.93Å; Q448-L451 VanDerWaalsContact O-N 3.16Å; P449-L451 PolarHBondContact O-N 3.11Å; P449-L451 VanDerWaalsContact O-N 3.07Å
452I95.9Very high96.2Very high52 Ų5239.6 Ų39.627%0.26722%0.22SC..G310 helixtrans-108.97.6175.658.8164.8000112.6V218 Q222 Y226 I445 P449 S450 E454V218-I452 HydrophobicContact CG1-CD1 4.34Å; V218-I452 HydrophobicContact CG2-CD1 4.17Å; Q222-I452 HydrophobicContact CB-CD1 4.06Å; Q222-I452 HydrophobicContact CG-CD1 4.37Å; Y226-I452 HydrophobicContact CD1-CG2 3.82Å; Y226-I452 HydrophobicContact CD2-CG2 3.67Å; Y226-I452 HydrophobicContact CE1-CG2 4.2Å; Y226-I452 HydrophobicContact CE2-CG2 4.05Å; Y226-I452 HydrophobicContact CG-CG2 3.54Å; I445-I452 HydrophobicContact CD1-CD1 4.36Å; I445-I452 HydrophobicContact CG2-CG2 3.91Å; P449-I452 WeakPolarHBondContact O-CG1 3.32Å; P449-I452 PolarHBondContact O-N 2.98Å; P449-I452 VanDerWaalsContact O-N 3.08Å; S450-I452 PolarHBondContact O-N 2.82Å; I452-E454 HydrophobicContact CD1-CB 4.34Å; I452-E454 HydrophobicContact CD1-CG 3.57Å; I452-E454 HydrophobicContact CG1-CB 4.15Å; I452-E454 HydrophobicContact CG1-CG 3.78Å
453G94.5Very high96.2Very high59 Ų5939.6 Ų39.661%0.60822%0.22SC*.THydrogen-bonded Turntrans75.420.5-177.100000114.2S450S450-G453 PolarHBondContact O-N 3.13Å
454E93.5Very high96.2Very high66 Ų6644.2 Ų44.231%0.30824%0.242SC..  trans-86121.2173-74.5-74.1174.200110.1V218 P449 I452 Q456V218-E454 HydrophobicContact CG2-CB 4.26Å; V218-E454 HydrophobicContact CG2-CG 4.11Å; P449-E454 CarbonylContact C-O 3.3Å; P449-E454 HydrophobicContact CB-CB 4Å; P449-E454 PolarHBondContact O-N 3.31Å; I452-E454 HydrophobicContact CD1-CB 4.34Å; I452-E454 HydrophobicContact CD1-CG 3.57Å; I452-E454 HydrophobicContact CG1-CB 4.15Å; I452-E454 HydrophobicContact CG1-CG 3.78Å; E454-Q456 PolarHBondContact O-N 2.99Å
455D94.4Very high96.2Very high170 Ų17048.8 Ų48.891%0.90926%0.26SS*.  trans-81.239.2179.8-65.4-27.3000112.4
456Q94.3Very high96.2Very high67 Ų6748.8 Ų48.831%0.31326%0.26SS..SBendtrans-110.3153.8176.2-63.2-164.5-14.600111.1N217 P449 E454N217-Q456 PolarHBondContact ND2-NE2 3.41Å; N217-Q456 VanDerWaalsContact ND2-NE2 3.19Å; P449-Q456 WeakPolarHBondContact CG-O 3.41Å; E454-Q456 PolarHBondContact O-N 2.99Å
457M95.5Very high96.2Very high81 Ų8149 Ų4940%0.39926%0.261SS..  trans-66.2147.2173.6-64.5175.67200110.9E461 T462M457-E461 HydrophobicContact CB-CB 4.15Å; M457-E461 HydrophobicContact CE-CB 3.63Å; M457-E461 VanDerWaalsContact CE-O 3.31Å; M457-E461 WeakPolarHBondContact CE-O 3.1Å; M457-T462 WeakPolarHBondContact CB-OG1 3.43Å
458G96.4Very high96.2Very high0 Ų052 Ų520%029%0.288CS..  trans-65.6169170.800000112.7F447 M460 E461 T462F447-G458 WeakPolarHBondContact O-CA 3.41Å; G458-M460 VanDerWaalsContact C-N 3.32Å; G458-M460 PolarHBondContact O-N 3.42Å; G458-E461 PolarHBondContact N-OE2 2.76Å; G458-E461 VanDerWaalsContact N-OE2 3.14Å; G458-E461 PolarHBondContact O-N 2.86Å; G458-T462 VanDerWaalsContact O-CB 3.28Å; G458-T462 WeakPolarHBondContact O-CB 3.41Å; G458-T462 PolarHBondContact O-N 3.48Å; G458-T462 PolarHBondContact O-OG1 3.01Å
459L96.8Very high96.2Very high2 Ų256 Ų561%0.0130%0.3CS..Hα-helixtrans-56-45.9179.8-175.768.2000112.2L191 I200 L446 T462 L463 M489L191-L459 HydrophobicContact CB-CD2 4.49Å; L191-L459 HydrophobicContact CD1-CD2 4.28Å; L191-L459 HydrophobicContact CD1-CG 4.47Å; L191-L459 HydrophobicContact CD2-CD1 4.32Å; I200-L459 HydrophobicContact CD1-CD1 3.82Å; I200-L459 HydrophobicContact CG1-CD1 4.12Å; L446-L459 WeakPolarHBondContact O-CB 3.35Å; L446-L459 PolarHBondContact O-N 2.98Å; L459-T462 PolarHBondContact O-N 3.29Å; L459-L463 WeakPolarHBondContact O-CB 3.43Å; L459-L463 PolarHBondContact O-N 3.16Å; L459-M489 HydrophobicContact CD2-CE 3.7Å
460M97.1Very high96.2Very high7 Ų756.6 Ų56.63%0.03430%0.302CS..Hα-helixtrans-76.5-37.3-175.6-60.9-49.9-58.100112.8L191 F447 G458 T462 L463 Q464 V498 E501 L502 L505L191-M460 HydrophobicContact CD1-SD 4.33Å; F447-M460 HydrophobicContact CD1-CG 3.69Å; F447-M460 HydrophobicContact CE1-CG 3.68Å; F447-M460 HydrophobicContact CE1-SD 4.29Å; G458-M460 VanDerWaalsContact C-N 3.32Å; G458-M460 PolarHBondContact O-N 3.42Å; M460-T462 VanDerWaalsContact C-N 3.33Å; M460-L463 HydrophobicContact CE-CD2 3.68Å; M460-L463 WeakPolarHBondContact O-CB 3.46Å; M460-L463 PolarHBondContact O-N 3.23Å; M460-L463 HydrophobicContact SD-CD2 4.47Å; M460-Q464 PolarHBondContact O-N 3.49Å; M460-V498 HydrophobicContact CE-CG1 4.02Å; M460-V498 HydrophobicContact SD-CB 4.43Å; M460-V498 HydrophobicContact SD-CG1 4.08Å; M460-V498 HydrophobicContact SD-CG2 4.05Å; M460-E501 HydrophobicContact CB-CB 4.26Å; M460-E501 HydrophobicContact CE-CB 3.83Å; M460-E501 HydrophobicContact CG-CB 3.8Å; M460-E501 HydrophobicContact CG-CG 3.98Å; M460-E501 HydrophobicContact SD-CB 4.42Å; M460-L502 HydrophobicContact CE-CD2 4.19Å; M460-L502 HydrophobicContact CE-CG 3.82Å; M460-L505 HydrophobicContact CB-CD1 4.26Å; M460-L505 HydrophobicContact CE-CD1 4.17Å
461E96.7Very high96.2Very high102 Ų10255.6 Ų55.648%0.47729%0.293SS..Hα-helixtrans-63.5-42.1172-60.8178.8158.100110.8M457 G458 L463 Q464 Y465M457-E461 HydrophobicContact CB-CB 4.15Å; M457-E461 HydrophobicContact CE-CB 3.63Å; M457-E461 VanDerWaalsContact CE-O 3.31Å; M457-E461 WeakPolarHBondContact CE-O 3.1Å; G458-E461 PolarHBondContact N-OE2 2.76Å; G458-E461 VanDerWaalsContact N-OE2 3.14Å; G458-E461 PolarHBondContact O-N 2.86Å; E461-L463 VanDerWaalsContact C-N 3.32Å; E461-L463 PolarHBondContact O-N 3.38Å; E461-Q464 WeakPolarHBondContact O-CB 3.49Å; E461-Q464 PolarHBondContact O-N 3.34Å; E461-Y465 PolarHBondContact O-N 3.17Å
462T97.9Very high96.2Very high11 Ų1157.8 Ų57.87%0.06731%0.31CS..Hα-helixtrans-63.4-40.7176.3-57.20000110.8I200 K214 V216 M457 G458 L459 M460 Y465 V466I200-T462 HydrophobicContact CD1-CG2 3.5Å; I200-T462 VanDerWaalsContact CD1-CG2 3.5Å; I200-T462 HydrophobicContact CG1-CG2 4.03Å; K214-T462 HydrophobicContact CB-CG2 3.47Å; K214-T462 VanDerWaalsContact CB-CG2 3.47Å; K214-T462 HydrophobicContact CG-CG2 3.89Å; V216-T462 HydrophobicContact CG2-CG2 4.26Å; M457-T462 WeakPolarHBondContact CB-OG1 3.43Å; G458-T462 VanDerWaalsContact O-CB 3.28Å; G458-T462 WeakPolarHBondContact O-CB 3.41Å; G458-T462 PolarHBondContact O-N 3.48Å; G458-T462 PolarHBondContact O-OG1 3.01Å; L459-T462 PolarHBondContact O-N 3.29Å; M460-T462 VanDerWaalsContact C-N 3.33Å; T462-Y465 WeakPolarHBondContact O-CB 3.45Å; T462-Y465 PolarHBondContact O-N 2.89Å; T462-V466 WeakPolarHBondContact O-CG2 3.3Å; T462-V466 PolarHBondContact O-N 3.21Å
463L97.8Very high96Very high0 Ų061.9 Ų61.90%033%0.327CS..Hα-helixtrans-59.6-45.8173.4175.861000111.6I189 L191 I200 L459 M460 E461 Y465 V466 L467 L502I189-L463 HydrophobicContact CD1-CD1 3.25Å; I189-L463 HydrophobicContact CG1-CD1 3.83Å; I189-L463 HydrophobicContact CG2-CD1 4.15Å; L191-L463 HydrophobicContact CD1-CD2 4.23Å; L191-L463 HydrophobicContact CD2-CD1 4.25Å; L191-L463 HydrophobicContact CD2-CD2 4.34Å; I200-L463 HydrophobicContact CG2-CD1 4.07Å; L459-L463 WeakPolarHBondContact O-CB 3.43Å; L459-L463 PolarHBondContact O-N 3.16Å; M460-L463 HydrophobicContact CE-CD2 3.68Å; M460-L463 WeakPolarHBondContact O-CB 3.46Å; M460-L463 PolarHBondContact O-N 3.23Å; M460-L463 HydrophobicContact SD-CD2 4.47Å; E461-L463 VanDerWaalsContact C-N 3.32Å; E461-L463 PolarHBondContact O-N 3.38Å; L463-Y465 VanDerWaalsContact C-N 3.31Å; L463-Y465 PolarHBondContact O-N 3.16Å; L463-V466 PolarHBondContact O-N 3.42Å; L463-L467 HydrophobicContact CD1-CD1 4.23Å; L463-L467 HydrophobicContact CD1-CG 4.15Å; L463-L467 HydrophobicContact CG-CD1 4.13Å; L463-L467 HydrophobicContact CG-CG 4.47Å; L463-L467 WeakPolarHBondContact O-CG 3.23Å; L463-L467 PolarHBondContact O-N 3.1Å; L463-L502 HydrophobicContact CD2-CD2 3.77Å
464Q96.8Very high96Very high97 Ų9763 Ų6345%0.45332%0.317SS..Hα-helixtrans-58.6-44.3175.7-172.9-175.320.600111.6M460 E461 V466 L467 A468 L505M460-Q464 PolarHBondContact O-N 3.49Å; E461-Q464 WeakPolarHBondContact O-CB 3.49Å; E461-Q464 PolarHBondContact O-N 3.34Å; Q464-V466 VanDerWaalsContact C-N 3.32Å; Q464-V466 PolarHBondContact O-N 2.91Å; Q464-L467 PolarHBondContact O-N 3.05Å; Q464-A468 WeakPolarHBondContact O-CB 3.28Å; Q464-A468 PolarHBondContact O-N 2.9Å; Q464-L505 HydrophobicContact CB-CD1 4.34Å; Q464-L505 HydrophobicContact CB-CD2 4.09Å; Q464-L505 VanDerWaalsContact CD-CD2 3.5Å; Q464-L505 HydrophobicContact CG-CD2 4.07Å
465Y97.3Very high96Very high97 Ų9761.7 Ų61.738%0.3831%0.311SS..Hα-helixtrans-59.8-41.3176178.8-85.6000112.4E461 T462 L463 R469E461-Y465 PolarHBondContact O-N 3.17Å; T462-Y465 WeakPolarHBondContact O-CB 3.45Å; T462-Y465 PolarHBondContact O-N 2.89Å; L463-Y465 VanDerWaalsContact C-N 3.31Å; L463-Y465 PolarHBondContact O-N 3.16Å; Y465-R469 VanDerWaalsContact CZ-NH2 3.29Å; Y465-R469 PolarHBondContact OH-NH2 2.95Å
466V97.7Very high96Very high0 Ų056.5 Ų56.50%028%0.281CS..Hα-helixtrans-65.5-48.2176.3171.30000110.6I189 I200 P202 N212 K214 T462 L463 Q464 A468 R469 Y470I189-V466 HydrophobicContact CD1-CG1 3.88Å; I200-V466 HydrophobicContact CB-CG2 4.49Å; I200-V466 HydrophobicContact CG2-CB 4.3Å; I200-V466 HydrophobicContact CG2-CG1 4.34Å; I200-V466 HydrophobicContact CG2-CG2 4.03Å; P202-V466 HydrophobicContact CG-CG1 4.1Å; N212-V466 WeakPolarHBondContact O-CG2 3.34Å; K214-V466 HydrophobicContact CB-CG2 4.17Å; K214-V466 HydrophobicContact CG-CG2 3.37Å; T462-V466 WeakPolarHBondContact O-CG2 3.3Å; T462-V466 PolarHBondContact O-N 3.21Å; L463-V466 PolarHBondContact O-N 3.42Å; Q464-V466 VanDerWaalsContact C-N 3.32Å; Q464-V466 PolarHBondContact O-N 2.91Å; V466-A468 PolarHBondContact O-N 2.78Å; V466-R469 VanDerWaalsContact O-CB 3.31Å; V466-R469 WeakPolarHBondContact O-CB 3.36Å; V466-R469 PolarHBondContact O-N 3.09Å; V466-Y470 HydrophobicContact CG1-CE2 3.92Å; V466-Y470 VanDerWaalsContact O-CD2 3.24Å; V466-Y470 WeakPolarHBondContact O-CD2 3.44Å; V466-Y470 WeakPolarHBondContact O-CE2 3.3Å
467L96.8Very high95.9Very high12 Ų1255.2 Ų55.26%0.06328%0.282CS..Hα-helixtrans-59.8-35.5179.5-70.6174.5000112.3I189 L463 Q464 R469 Y470 Q475 L478 V479I189-L467 HydrophobicContact CD1-CD2 4.46Å; L463-L467 HydrophobicContact CD1-CD1 4.23Å; L463-L467 HydrophobicContact CD1-CG 4.15Å; L463-L467 HydrophobicContact CG-CD1 4.13Å; L463-L467 HydrophobicContact CG-CG 4.47Å; L463-L467 WeakPolarHBondContact O-CG 3.23Å; L463-L467 PolarHBondContact O-N 3.1Å; Q464-L467 PolarHBondContact O-N 3.05Å; L467-R469 PolarHBondContact O-N 3.29Å; L467-Y470 PolarHBondContact O-N 2.91Å; L467-Q475 HydrophobicContact CB-CG 4.38Å; L467-Q475 WeakPolarHBondContact O-CG 3.41Å; L467-Q475 PolarHBondContact O-NE2 3.45Å; L467-L478 HydrophobicContact CD2-CB 4.27Å; L467-L478 HydrophobicContact CD2-CD1 4.3Å; L467-V479 HydrophobicContact CD1-CG1 3.82Å; L467-V479 HydrophobicContact CD2-CG1 3.85Å
468A96.6Very high95.8Very high75 Ų7551.4 Ų51.462%0.6226%0.263SS*.THydrogen-bonded Turntrans-62.6-11.8176.600000114.3Q464 V466Q464-A468 WeakPolarHBondContact O-CB 3.28Å; Q464-A468 PolarHBondContact O-N 2.9Å; V466-A468 PolarHBondContact O-N 2.78Å
469R97.3Very high95.8Very high144 Ų14451.4 Ų51.454%0.54326%0.263SS..THydrogen-bonded Turntrans-84.4-9.9174.8-57.1-59.5-175.8168.20.5113.9N212 Y465 V466 L467N212-R469 WeakPolarHBondContact OD1-CB 3.49Å; Y465-R469 VanDerWaalsContact CZ-NH2 3.29Å; Y465-R469 PolarHBondContact OH-NH2 2.95Å; V466-R469 VanDerWaalsContact O-CB 3.31Å; V466-R469 WeakPolarHBondContact O-CB 3.36Å; V466-R469 PolarHBondContact O-N 3.09Å; L467-R469 PolarHBondContact O-N 3.29Å
470Y96.9Very high95.6Very high17 Ų1754.4 Ų54.47%0.06728%0.284CS..SBendtrans-109.8155.5-175.1-64.9-81.4000112.1P202 V204 D209 N212 V466 L467 Q474 Q475 L478P202-Y470 HydrophobicContact CB-CE2 4.29Å; P202-Y470 WeakPolarHBondContact CB-OH 3.43Å; P202-Y470 WeakPolarHBondContact CG-OH 2.97Å; V204-Y470 HydrophobicContact CG2-CE1 4.16Å; D209-Y470 VanDerWaalsContact CG-OH 3.31Å; D209-Y470 WeakPolarHBondContact OD2-CE1 3.44Å; D209-Y470 PolarHBondContact OD2-OH 2.67Å; N212-Y470 HydrophobicContact CB-CE2 4.11Å; N212-Y470 WeakPolarHBondContact CB-OH 3.49Å; N212-Y470 PolarHBondContact ND2-OH 2.82Å; V466-Y470 HydrophobicContact CG1-CE2 3.92Å; V466-Y470 VanDerWaalsContact O-CD2 3.24Å; V466-Y470 WeakPolarHBondContact O-CD2 3.44Å; V466-Y470 WeakPolarHBondContact O-CE2 3.3Å; L467-Y470 PolarHBondContact O-N 2.91Å; Y470-Q474 HydrophobicContact CD1-CB 4.19Å; Y470-Q474 HydrophobicContact CG-CB 4.4Å; Y470-Q475 PolarHBondContact O-NE2 3.38Å; Y470-L478 HydrophobicContact CD1-CD1 3.95Å; Y470-L478 HydrophobicContact CD2-CD1 3.56Å; Y470-L478 HydrophobicContact CE1-CD1 4.07Å; Y470-L478 HydrophobicContact CE2-CD1 3.67Å; Y470-L478 HydrophobicContact CG-CD1 3.69Å
471T96.1Very high95.4Very high64 Ų6454.8 Ų54.839%0.39329%0.287SS..  trans-66158.3172.278.90000110.8E473 Q474 Q475T471-E473 VanDerWaalsContact CB-OE2 3.3Å; T471-E473 WeakPolarHBondContact CB-OE2 3.32Å; T471-E473 PolarHBondContact O-N 3.11Å; T471-E473 PolarHBondContact OG1-OE2 3.21Å; T471-Q474 PolarHBondContact O-N 3.24Å; T471-Q474 VanDerWaalsContact O-N 3.07Å; T471-Q474 PolarHBondContact OG1-N 2.88Å; T471-Q475 WeakPolarHBondContact O-CG 3.39Å; T471-Q475 PolarHBondContact O-N 3.43Å
472P93.5Very high95.4Very high91 Ų9150 Ų5059%0.59126%0.264SS*.Hα-helixtrans-52.7-38178.5-28.336.9000114Q475 E476P472-Q475 PolarHBondContact O-N 3.38Å; P472-E476 PolarHBondContact O-N 3.03Å
473E92.6Very high95.4Very high137 Ų13749.5 Ų49.564%0.6426%0.261SS*.Hα-helixtrans-68.2-42.4178.6-55.572.1-154.800111.5T471 E476 A477T471-E473 VanDerWaalsContact CB-OE2 3.3Å; T471-E473 WeakPolarHBondContact CB-OE2 3.32Å; T471-E473 PolarHBondContact O-N 3.11Å; T471-E473 PolarHBondContact OG1-OE2 3.21Å; E473-E476 PolarHBondContact O-N 3.42Å; E473-A477 PolarHBondContact O-N 3.49Å; E473-A477 VanDerWaalsContact O-N 3.08Å
474Q93.8Very high95.4Very high82 Ų8249.5 Ų49.538%0.38326%0.261SS..Hα-helixtrans-67.4-38.6176-71.6176.4-34.100111.6Y470 T471 A477 L478Y470-Q474 HydrophobicContact CD1-CB 4.19Å; Y470-Q474 HydrophobicContact CG-CB 4.4Å; T471-Q474 PolarHBondContact O-N 3.24Å; T471-Q474 VanDerWaalsContact O-N 3.07Å; T471-Q474 PolarHBondContact OG1-N 2.88Å; Q474-A477 PolarHBondContact O-N 3.12Å; Q474-L478 WeakPolarHBondContact O-CB 3.28Å; Q474-L478 VanDerWaalsContact O-CG 3.3Å; Q474-L478 WeakPolarHBondContact O-CG 3.45Å; Q474-L478 PolarHBondContact O-N 3.04Å
475Q94.9Very high95.4Very high39 Ų3945 Ų4518%0.18224%0.24CC..Hα-helixtrans-59.3-48.2174.7-70.2176.824.800110.8L467 Y470 T471 P472 A477 L478 V479L467-Q475 HydrophobicContact CB-CG 4.38Å; L467-Q475 WeakPolarHBondContact O-CG 3.41Å; L467-Q475 PolarHBondContact O-NE2 3.45Å; Y470-Q475 PolarHBondContact O-NE2 3.38Å; T471-Q475 WeakPolarHBondContact O-CG 3.39Å; T471-Q475 PolarHBondContact O-N 3.43Å; P472-Q475 PolarHBondContact O-N 3.38Å; Q475-A477 VanDerWaalsContact C-N 3.31Å; Q475-A477 PolarHBondContact O-N 3.15Å; Q475-L478 PolarHBondContact O-N 3.35Å; Q475-V479 WeakPolarHBondContact O-CG2 3.41Å; Q475-V479 PolarHBondContact O-N 2.78Å
476E92.8Very high95.3Very high62 Ų6240.9 Ų40.929%0.2923%0.227SC..Hα-helixtrans-59.2-43177.7-165.669.2-176.400111.4P472 E473 L478 V479 S480 R506 H511P472-E476 PolarHBondContact O-N 3.03Å; E473-E476 PolarHBondContact O-N 3.42Å; E476-L478 PolarHBondContact O-N 3.03Å; E476-V479 PolarHBondContact O-N 3.09Å; E476-S480 WeakPolarHBondContact O-CB 3.26Å; E476-S480 PolarHBondContact O-N 3.35Å; E476-R506 IonicContact OE2-NH2 2.68Å; E476-R506 PolarHBondContact OE2-NH2 2.83Å; E476-H511 WeakPolarHBondContact OE1-CB 3.33Å; E476-H511 PolarHBondContact OE1-N 2.87Å
477A92.6Very high95.1Very high39 Ų3942.3 Ų42.332%0.32224%0.242SC..Hα-helixtrans-62.8-42.4175.600000112.5T187 E473 Q474 Q475 S480T187-A477 HydrophobicContact CG2-CB 3.92Å; E473-A477 PolarHBondContact O-N 3.49Å; E473-A477 VanDerWaalsContact O-N 3.08Å; Q474-A477 PolarHBondContact O-N 3.12Å; Q475-A477 VanDerWaalsContact C-N 3.31Å; Q475-A477 PolarHBondContact O-N 3.15Å; A477-S480 WeakPolarHBondContact O-CB 3.46Å; A477-S480 PolarHBondContact O-OG 3.28Å
478L94.4Very high95Very high1 Ų142 Ų421%0.00524%0.24CC..Hα-helixtrans-66.3-44.3178.1-74.2167.8000112.2T187 G188 I189 P202 V204 L467 Y470 Q474 Q475 E476 S480 N481T187-L478 HydrophobicContact CG2-CD2 3.95Å; T187-L478 HydrophobicContact CG2-CG 4.27Å; G188-L478 WeakPolarHBondContact CA-O 3.49Å; G188-L478 WeakPolarHBondContact O-CD2 3.26Å; I189-L478 PolarHBondContact N-O 3.44Å; P202-L478 HydrophobicContact CB-CD2 4.12Å; V204-L478 HydrophobicContact CG2-CD2 4.05Å; L467-L478 HydrophobicContact CD2-CB 4.27Å; L467-L478 HydrophobicContact CD2-CD1 4.3Å; Y470-L478 HydrophobicContact CD1-CD1 3.95Å; Y470-L478 HydrophobicContact CD2-CD1 3.56Å; Y470-L478 HydrophobicContact CE1-CD1 4.07Å; Y470-L478 HydrophobicContact CE2-CD1 3.67Å; Y470-L478 HydrophobicContact CG-CD1 3.69Å; Q474-L478 WeakPolarHBondContact O-CB 3.28Å; Q474-L478 VanDerWaalsContact O-CG 3.3Å; Q474-L478 WeakPolarHBondContact O-CG 3.45Å; Q474-L478 PolarHBondContact O-N 3.04Å; Q475-L478 PolarHBondContact O-N 3.35Å; E476-L478 PolarHBondContact O-N 3.03Å; L478-S480 VanDerWaalsContact C-N 3.28Å; L478-S480 PolarHBondContact O-N 2.95Å; L478-N481 CarbonylContact O-C 3.42Å; L478-N481 PolarHBondContact O-N 2.9Å
479V95Very high94.9Very high0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-80.1-10.8-177.9-560000113.4L467 Q475 E476 N481 V482 H511 F512 K513L467-V479 HydrophobicContact CD1-CG1 3.82Å; L467-V479 HydrophobicContact CD2-CG1 3.85Å; Q475-V479 WeakPolarHBondContact O-CG2 3.41Å; Q475-V479 PolarHBondContact O-N 2.78Å; E476-V479 PolarHBondContact O-N 3.09Å; V479-N481 PolarHBondContact O-N 3.5Å; V479-N481 VanDerWaalsContact O-N 3.11Å; V479-V482 HydrophobicContact CB-CG2 4.21Å; V479-V482 HydrophobicContact CG1-CG2 4.48Å; V479-H511 WeakPolarHBondContact CG2-O 3.44Å; V479-F512 HydrophobicContact CB-CB 3.96Å; V479-F512 HydrophobicContact CG2-CB 3.94Å; V479-F512 VanDerWaalsContact O-CA 3.31Å; V479-F512 WeakPolarHBondContact O-CA 3.34Å; V479-F512 WeakPolarHBondContact O-CB 3.36Å; V479-K513 PolarHBondContact O-N 2.99Å
480S92.8Very high94.7Very high65 Ų6536.8 Ų36.846%0.45521%0.209SC..THydrogen-bonded Turntrans-59.7-16.4167.880.50000112.7E476 A477 L478 K513E476-S480 WeakPolarHBondContact O-CB 3.26Å; E476-S480 PolarHBondContact O-N 3.35Å; A477-S480 WeakPolarHBondContact O-CB 3.46Å; A477-S480 PolarHBondContact O-OG 3.28Å; L478-S480 VanDerWaalsContact C-N 3.28Å; L478-S480 PolarHBondContact O-N 2.95Å; S480-K513 WeakPolarHBondContact O-CB 3.44Å
481N93.2Very high94.6Very high16 Ų1636.4 Ų36.49%0.08621%0.208CC..THydrogen-bonded Turntrans-149.784.2172.6-169.116.2000111.7F174 N178 G188 I189 L478 V479 F483 T515F174-N481 WeakPolarHBondContact CE2-ND2 3.22Å; N178-N481 PolarHBondContact OD1-ND2 2.97Å; G188-N481 CarbonylContact C-O 3.51Å; G188-N481 WeakPolarHBondContact CA-O 3.35Å; I189-N481 PolarHBondContact N-O 3.32Å; L478-N481 CarbonylContact O-C 3.42Å; L478-N481 PolarHBondContact O-N 2.9Å; V479-N481 PolarHBondContact O-N 3.5Å; V479-N481 VanDerWaalsContact O-N 3.11Å; N481-F483 PolarHBondContact O-N 3.43Å; N481-T515 PolarHBondContact OD1-OG1 3.4Å
482V96.9Very high94.6Very high0 Ų037.5 Ų37.50%022%0.216CC..EExtended strand (participates in β ladder)trans-84.3104.1167.6-176.40000108.4I189 L191 V479 L484 V498 L502 K513 V514 T515I189-V482 HydrophobicContact CG2-CB 4.2Å; I189-V482 HydrophobicContact CG2-CG1 4.19Å; I189-V482 HydrophobicContact CG2-CG2 3.77Å; I189-V482 CarbonylContact O-C 3.43Å; I189-V482 WeakPolarHBondContact O-CA 3.19Å; L191-V482 HydrophobicContact CD1-CG1 3.9Å; L191-V482 HydrophobicContact CG-CG1 4.13Å; V479-V482 HydrophobicContact CB-CG2 4.21Å; V479-V482 HydrophobicContact CG1-CG2 4.48Å; V482-L484 HydrophobicContact CG1-CD2 4.35Å; V482-V498 HydrophobicContact CG1-CG1 4.45Å; V482-L502 HydrophobicContact CB-CD1 4.21Å; V482-L502 HydrophobicContact CG1-CD1 4.16Å; V482-L502 HydrophobicContact CG2-CD1 3.82Å; V482-K513 PolarHBondContact N-O 3.41Å; V482-V514 HydrophobicContact CB-CG2 4.24Å; V482-V514 CarbonylContact O-C 3.35Å; V482-V514 WeakPolarHBondContact O-CA 3.24Å; V482-T515 PolarHBondContact O-N 2.85Å
483F97.2Very high94.8Very high1 Ų134.1 Ų34.10%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-99.7122.6-171.9179.9-107.3000112.1S173 F174 N177 I189 I190 L191 N481 T485 T515 A517S173-F483 WeakPolarHBondContact O-CZ 3.42Å; S173-F483 WeakPolarHBondContact OG-CE1 3.46Å; S173-F483 WeakPolarHBondContact OG-CZ 3.3Å; F174-F483 VanDerWaalsContact CA-CE1 3.44Å; F174-F483 HydrophobicContact CB-CD1 3.88Å; F174-F483 HydrophobicContact CB-CE1 3.94Å; F174-F483 HydrophobicContact CD2-CB 3.75Å; F174-F483 AromaticContact CD2-CD1 3.82Å; F174-F483 HydrophobicContact CD2-CD1 3.82Å; F174-F483 AromaticContact CD2-CG 3.79Å; F174-F483 HydrophobicContact CD2-CG 3.79Å; F174-F483 HydrophobicContact CE2-CB 4.16Å; F174-F483 HydrophobicContact CG-CD1 4.37Å; N177-F483 HydrophobicContact CB-CE2 3.57Å; N177-F483 HydrophobicContact CB-CZ 3.9Å; I189-F483 PolarHBondContact O-N 3.48Å; I190-F483 CarbonylContact C-O 3.58Å; I190-F483 WeakPolarHBondContact CA-O 3.31Å; I190-F483 HydrophobicContact CG1-CB 4.45Å; I190-F483 HydrophobicContact CG1-CD1 4.17Å; I190-F483 HydrophobicContact CG2-CD1 4.07Å; L191-F483 PolarHBondContact N-O 2.95Å; N481-F483 PolarHBondContact O-N 3.43Å; F483-T485 HydrophobicContact CD1-CG2 4.23Å; F483-T485 HydrophobicContact CE1-CG2 3.9Å; F483-T515 CarbonylContact C-O 3.57Å; F483-T515 WeakPolarHBondContact CA-O 3.24Å; F483-T515 WeakPolarHBondContact CD2-OG1 3.34Å; F483-A517 HydrophobicContact CE1-CB 4.38Å; F483-A517 HydrophobicContact CE2-CB 3.92Å; F483-A517 HydrophobicContact CZ-CB 3.53Å
484L98.2Very high95Very high0 Ų027.6 Ų27.60%017%0.167CC..EExtended strand (participates in β ladder)trans-99.5123.9-179.3-48.1-175.1000110.7L191 V482 M489 K495 V498 V514 T515 M516 A517L191-L484 HydrophobicContact CB-CD2 3.8Å; L191-L484 HydrophobicContact CD1-CD2 3.69Å; L191-L484 HydrophobicContact CG-CD2 4.06Å; V482-L484 HydrophobicContact CG1-CD2 4.35Å; L484-M489 HydrophobicContact CB-CB 4.35Å; L484-M489 HydrophobicContact CB-CG 4.32Å; L484-K495 HydrophobicContact CD1-CB 4.34Å; L484-K495 HydrophobicContact CD1-CG 4.44Å; L484-V498 HydrophobicContact CD1-CB 4.45Å; L484-V498 HydrophobicContact CD1-CG2 4.33Å; L484-V498 HydrophobicContact CD2-CG1 4.23Å; L484-V498 HydrophobicContact CD2-CG2 4.36Å; L484-V514 HydrophobicContact CD1-CG1 3.66Å; L484-V514 HydrophobicContact CD2-CG1 4.22Å; L484-V514 HydrophobicContact CG-CG1 3.82Å; L484-T515 PolarHBondContact N-O 3.17Å; L484-M516 HydrophobicContact CB-CG 4.46Å; L484-M516 HydrophobicContact CD1-CE 3.97Å; L484-A517 WeakPolarHBondContact O-CB 3.43Å; L484-A517 PolarHBondContact O-N 2.93Å
485T97.6Very high95.1Very high3 Ų327 Ų272%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-145.2166.6178.9-169.40000112.6S173 I190 L191 S192 S193 F483 M489S173-T485 WeakPolarHBondContact CB-OG1 3.18Å; S173-T485 PolarHBondContact OG-OG1 3.48Å; I190-T485 HydrophobicContact CG2-CG2 3.73Å; L191-T485 PolarHBondContact O-N 3.46Å; S192-T485 CarbonylContact C-O 3.53Å; S192-T485 VanDerWaalsContact CA-O 3.28Å; S192-T485 WeakPolarHBondContact CA-O 3.49Å; S193-T485 PolarHBondContact N-O 2.93Å; F483-T485 HydrophobicContact CD1-CG2 4.23Å; F483-T485 HydrophobicContact CE1-CG2 3.9Å; T485-M489 WeakPolarHBondContact O-CG 3.5Å
486G95.3Very high95.3Very high10 Ų1029.4 Ų29.410%0.10318%0.175CC..SBendtrans96.9164.6-179.800000113.4S193 N488 M489 P520S193-G486 CarbonylContact O-C 3.57Å; S193-G486 VanDerWaalsContact O-C 3.3Å; S193-G486 WeakPolarHBondContact O-CA 3.44Å; G486-N488 PolarHBondContact O-N 2.98Å; G486-M489 PolarHBondContact O-N 3.5Å; G486-P520 CarbonylContact C-O 3.6Å; G486-P520 VanDerWaalsContact CA-O 3.3Å; G486-P520 WeakPolarHBondContact CA-O 3.26Å; G486-P520 PolarHBondContact N-O 3.26Å; G486-P520 WeakPolarHBondContact O-CB 3.3Å
487G92.4Very high95.5Very high31 Ų3126.9 Ų26.932%0.3216%0.163SC..G310 helixtrans-53.6-48.3-171.100000113.9S193 M489 Q490S193-G487 PolarHBondContact O-N 3.21Å; G487-M489 VanDerWaalsContact C-N 3.31Å; G487-M489 PolarHBondContact O-N 3.17Å; G487-Q490 WeakPolarHBondContact O-CB 3.48Å; G487-Q490 PolarHBondContact O-N 2.86Å; G487-Q490 PolarHBondContact O-NE2 3.34Å
488N94.3Very high95.8Very high4 Ų425 Ų252%0.02115%0.147CC..G310 helixtrans-80.5-10.7-174-45.6-59.2000113.6S193 G194 G220 L446 G486 Q490 H491S193-N488 PolarHBondContact O-N 3.42Å; S193-N488 PolarHBondContact O-ND2 3.03Å; S193-N488 PolarHBondContact OG-ND2 2.74Å; G194-N488 PolarHBondContact O-ND2 2.96Å; G220-N488 WeakPolarHBondContact CA-OD1 3.36Å; G220-N488 PolarHBondContact N-ND2 2.94Å; G220-N488 VanDerWaalsContact N-ND2 3.13Å; L446-N488 HydrophobicContact CD1-CB 4.24Å; G486-N488 PolarHBondContact O-N 2.98Å; N488-Q490 PolarHBondContact O-N 3.09Å; N488-H491 PolarHBondContact O-CD2 3.41Å; N488-H491 PolarHBondContact O-N 3.29Å
489M95.4Very high95.9Very high0 Ų028 Ų280%016%0.161CC..G310 helixtrans-71.7-9.3174.1-63.5-53.6-176.900112.4L191 L459 L484 T485 G486 G487 H491 M494 M516L191-M489 HydrophobicContact CB-CE 3.9Å; L191-M489 WeakPolarHBondContact O-CE 3.3Å; L459-M489 HydrophobicContact CD2-CE 3.7Å; L484-M489 HydrophobicContact CB-CB 4.35Å; L484-M489 HydrophobicContact CB-CG 4.32Å; T485-M489 WeakPolarHBondContact O-CG 3.5Å; G486-M489 PolarHBondContact O-N 3.5Å; G487-M489 VanDerWaalsContact C-N 3.31Å; G487-M489 PolarHBondContact O-N 3.17Å; M489-H491 VanDerWaalsContact C-N 3.28Å; M489-H491 PolarHBondContact O-N 2.99Å; M489-M494 HydrophobicContact SD-CG 3.92Å; M489-M494 HydrophobicContact SD-SD 4.14Å; M489-M516 WeakPolarHBondContact O-CE 3.41Å
490Q93.1Very high96Very high111 Ų11131.7 Ų31.752%0.51918%0.175SC..G310 helixtrans-78.9-6178.1-66.2172.792.900113.9G487 N488 P520G487-Q490 WeakPolarHBondContact O-CB 3.48Å; G487-Q490 PolarHBondContact O-N 2.86Å; G487-Q490 PolarHBondContact O-NE2 3.34Å; N488-Q490 PolarHBondContact O-N 3.09Å; Q490-P520 HydrophobicContact CG-CB 3.79Å; Q490-P520 HydrophobicContact CG-CG 3.76Å
491H94.4Very high96.2Very high9 Ų930.7 Ų30.74%0.04216%0.163CC..SBendtrans-59130.9175.9-72.5-55.5000110.3L251 A257 N488 M489 G493 M494L251-H491 PolarHBondContact O-CE1 2.87Å; A257-H491 HydrophobicContact CB-CB 4.42Å; N488-H491 PolarHBondContact O-CD2 3.41Å; N488-H491 PolarHBondContact O-N 3.29Å; M489-H491 VanDerWaalsContact C-N 3.28Å; M489-H491 PolarHBondContact O-N 2.99Å; H491-G493 PolarHBondContact O-N 3.46Å; H491-M494 HydrophobicContact CB-CE 4.18Å; H491-M494 WeakPolarHBondContact O-CB 3.43Å; H491-M494 PolarHBondContact O-N 3.42Å; H491-M494 VanDerWaalsContact O-N 3.16Å
492P96.9Very high96.3Very high86 Ų8630 Ų3056%0.55816%0.159SC*.THydrogen-bonded Turntrans-55.2139.4175.5-25.234000111.1A257 M494A257-P492 PolarHBondContact N-O 3.36Å; P492-M494 VanDerWaalsContact C-N 3.3Å; P492-M494 PolarHBondContact O-N 3.48Å
493G96.4Very high96.2Very high20 Ų2035.8 Ų35.821%0.20619%0.19CC..THydrogen-bonded Turntrans83.9-5.4-178.200000115.3H491 K495 E496 R497H491-G493 PolarHBondContact O-N 3.46Å; G493-K495 PolarHBondContact O-N 3.45Å; G493-E496 VanDerWaalsContact C-OE2 3.3Å; G493-E496 VanDerWaalsContact CA-OE2 3.22Å; G493-E496 WeakPolarHBondContact CA-OE2 3.29Å; G493-E496 PolarHBondContact O-N 3.03Å; G493-R497 VanDerWaalsContact O-CB 3.31Å; G493-R497 WeakPolarHBondContact O-CB 3.29Å; G493-R497 PolarHBondContact O-N 3.17Å
494M97Very high96.1Very high0 Ų039.8 Ų39.80%022%0.223CC..Hα-helixtrans-62.7-43.8-177.6-175.963.968.800112.5A257 L446 F447 M489 H491 P492 R497 V498 M516A257-M494 HydrophobicContact CB-CB 4.36Å; A257-M494 HydrophobicContact CB-CE 3.91Å; A257-M494 HydrophobicContact CB-SD 4.37Å; L446-M494 HydrophobicContact CD1-CE 3.84Å; F447-M494 HydrophobicContact CE2-CE 4.28Å; F447-M494 HydrophobicContact CE2-SD 3.89Å; F447-M494 HydrophobicContact CZ-SD 3.55Å; F447-M494 VanDerWaalsContact CZ-SD 3.55Å; M489-M494 HydrophobicContact SD-CG 3.92Å; M489-M494 HydrophobicContact SD-SD 4.14Å; H491-M494 HydrophobicContact CB-CE 4.18Å; H491-M494 WeakPolarHBondContact O-CB 3.43Å; H491-M494 PolarHBondContact O-N 3.42Å; H491-M494 VanDerWaalsContact O-N 3.16Å; P492-M494 VanDerWaalsContact C-N 3.3Å; P492-M494 PolarHBondContact O-N 3.48Å; M494-R497 PolarHBondContact O-N 3Å; M494-V498 WeakPolarHBondContact O-CG2 3.48Å; M494-V498 PolarHBondContact O-N 3.08Å; M494-M516 HydrophobicContact CB-CE 4.38Å
495K97.3Very high95.8Very high70 Ų7042.1 Ų42.130%0.30424%0.235SC..Hα-helixtrans-63.1-49.5-179.4-173.9-174.5170.6-161.30110.6L484 G493 R497 V498 E499 V514 M516L484-K495 HydrophobicContact CD1-CB 4.34Å; L484-K495 HydrophobicContact CD1-CG 4.44Å; G493-K495 PolarHBondContact O-N 3.45Å; K495-R497 VanDerWaalsContact C-N 3.32Å; K495-R497 PolarHBondContact O-N 3.34Å; K495-V498 PolarHBondContact O-N 3.06Å; K495-E499 WeakPolarHBondContact CE-OE1 3.49Å; K495-E499 IonicContact NZ-OE1 3.76Å; K495-E499 WeakPolarHBondContact O-CG 3.38Å; K495-E499 PolarHBondContact O-N 3.44Å; K495-V514 VanDerWaalsContact CE-O 3.3Å; K495-V514 WeakPolarHBondContact CE-O 3.35Å; K495-V514 HydrophobicContact CG-CG1 4.01Å; K495-M516 HydrophobicContact CB-CE 3.91Å
496E97.8Very high95.5Very high90 Ų9043.3 Ų43.342%0.42124%0.239SC..Hα-helixtrans-64.2-38.4-178.6-62.775.2-16600110.9V259 G493 E499 R500V259-E496 HydrophobicContact CG1-CB 4.48Å; V259-E496 HydrophobicContact CG2-CB 3.66Å; G493-E496 VanDerWaalsContact C-OE2 3.3Å; G493-E496 VanDerWaalsContact CA-OE2 3.22Å; G493-E496 WeakPolarHBondContact CA-OE2 3.29Å; G493-E496 PolarHBondContact O-N 3.03Å; E496-E499 PolarHBondContact O-N 2.93Å; E496-R500 WeakPolarHBondContact O-CB 3.47Å; E496-R500 PolarHBondContact O-N 2.8Å
497R97.8Very high95.3Very high8 Ų846.8 Ų46.83%0.0326%0.26CS..Hα-helixtrans-59.7-49.9172.3177.258178.9-95.2-2.9111.3A258 V259 E444 F447 G493 M494 K495 R500 E501A258-R497 WeakPolarHBondContact O-CD 3.33Å; A258-R497 PolarHBondContact O-NH1 2.63Å; V259-R497 WeakPolarHBondContact O-CD 3.4Å; E444-R497 IonicContact OE1-CZ 2.81Å; E444-R497 IonicContact OE1-NH1 3.75Å; E444-R497 PolarHBondContact OE1-NH1 3.02Å; E444-R497 IonicContact OE1-NH2 3.67Å; E444-R497 PolarHBondContact OE1-NH2 3.32Å; E444-R497 IonicContact OE2-CZ 3.75Å; E444-R497 IonicContact OE2-NH1 3.14Å; E444-R497 PolarHBondContact OE2-NH1 3.26Å; E444-R497 IonicContact OE2-NH2 2.79Å; F447-R497 HydrophobicContact CD1-CG 4.4Å; F447-R497 HydrophobicContact CE1-CG 3.75Å; F447-R497 HydrophobicContact CE2-CG 3.89Å; F447-R497 HydrophobicContact CZ-CB 4.28Å; F447-R497 HydrophobicContact CZ-CG 3.45Å; F447-R497 VanDerWaalsContact CZ-CG 3.45Å; G493-R497 VanDerWaalsContact O-CB 3.31Å; G493-R497 WeakPolarHBondContact O-CB 3.29Å; G493-R497 PolarHBondContact O-N 3.17Å; M494-R497 PolarHBondContact O-N 3Å; K495-R497 VanDerWaalsContact C-N 3.32Å; K495-R497 PolarHBondContact O-N 3.34Å; R497-R500 PolarHBondContact O-N 3.02Å; R497-E501 HydrophobicContact CG-CG 4.42Å; R497-E501 IonicContact CZ-OE1 3.33Å; R497-E501 VanDerWaalsContact CZ-OE1 3.27Å; R497-E501 IonicContact NE-OE1 3.72Å; R497-E501 PolarHBondContact NE-OE1 3.18Å; R497-E501 IonicContact NH2-OE1 2.84Å; R497-E501 PolarHBondContact NH2-OE1 3.24Å; R497-E501 WeakPolarHBondContact O-CG 3.34Å; R497-E501 PolarHBondContact O-N 3.37Å
498V97.9Very high95.2Very high0 Ų054.2 Ų54.20%028%0.284CS..Hα-helixtrans-63.5-41.6179.5172.20000111.5L191 F447 M460 V482 L484 M494 K495 R500 E501 L502 V514L191-V498 HydrophobicContact CD1-CG1 4.12Å; F447-V498 HydrophobicContact CE1-CG2 4.44Å; F447-V498 HydrophobicContact CZ-CG2 4.48Å; M460-V498 HydrophobicContact CE-CG1 4.02Å; M460-V498 HydrophobicContact SD-CB 4.43Å; M460-V498 HydrophobicContact SD-CG1 4.08Å; M460-V498 HydrophobicContact SD-CG2 4.05Å; V482-V498 HydrophobicContact CG1-CG1 4.45Å; L484-V498 HydrophobicContact CD1-CB 4.45Å; L484-V498 HydrophobicContact CD1-CG2 4.33Å; L484-V498 HydrophobicContact CD2-CG1 4.23Å; L484-V498 HydrophobicContact CD2-CG2 4.36Å; M494-V498 WeakPolarHBondContact O-CG2 3.48Å; M494-V498 PolarHBondContact O-N 3.08Å; K495-V498 PolarHBondContact O-N 3.06Å; V498-R500 VanDerWaalsContact C-N 3.34Å; V498-R500 PolarHBondContact O-N 3.19Å; V498-E501 PolarHBondContact O-N 3.22Å; V498-L502 HydrophobicContact CG1-CD1 3.83Å; V498-L502 HydrophobicContact CG1-CG 4.4Å; V498-L502 WeakPolarHBondContact O-CB 3.22Å; V498-L502 WeakPolarHBondContact O-CG 3.46Å; V498-L502 PolarHBondContact O-N 3.02Å; V498-V514 HydrophobicContact CG1-CG1 4.2Å; V498-V514 HydrophobicContact CG1-CG2 4.17Å
499E97.5Very high94.8Very high63 Ų6361.5 Ų61.529%0.29432%0.318SS..Hα-helixtrans-59.5-44.3176.1-76.1176.1161.400111.9K495 E496 L502 L503 F512 V514K495-E499 WeakPolarHBondContact CE-OE1 3.49Å; K495-E499 IonicContact NZ-OE1 3.76Å; K495-E499 WeakPolarHBondContact O-CG 3.38Å; K495-E499 PolarHBondContact O-N 3.44Å; E496-E499 PolarHBondContact O-N 2.93Å; E499-L502 PolarHBondContact O-N 3.35Å; E499-L503 PolarHBondContact O-N 2.82Å; E499-F512 HydrophobicContact CB-CE2 4.45Å; E499-F512 WeakPolarHBondContact O-CZ 3.46Å; E499-V514 HydrophobicContact CB-CG2 4.4Å; E499-V514 HydrophobicContact CG-CB 3.62Å; E499-V514 HydrophobicContact CG-CG1 4.35Å; E499-V514 HydrophobicContact CG-CG2 3.46Å; E499-V514 VanDerWaalsContact CG-CG2 3.46Å
500R96.5Very high94.6Very high78 Ų7862.9 Ų62.929%0.29433%0.328SS..Hα-helixtrans-66-44.6178.1-173.5-169.671.6136.85.2112.6V259 D260 E496 R497 V498 L502 L503 A504V259-R500 HydrophobicContact CG1-CB 4.5Å; V259-R500 PolarHBondContact O-NE 3.2Å; V259-R500 PolarHBondContact O-NH1 2.83Å; V259-R500 PolarHBondContact O-NH2 3.22Å; D260-R500 IonicContact OD1-NH1 2.73Å; D260-R500 IonicContact OD2-CZ 3.51Å; D260-R500 IonicContact OD2-NH1 2.85Å; D260-R500 PolarHBondContact OD2-NH1 2.91Å; E496-R500 WeakPolarHBondContact O-CB 3.47Å; E496-R500 PolarHBondContact O-N 2.8Å; R497-R500 PolarHBondContact O-N 3.02Å; V498-R500 VanDerWaalsContact C-N 3.34Å; V498-R500 PolarHBondContact O-N 3.19Å; R500-L502 VanDerWaalsContact C-N 3.35Å; R500-L503 WeakPolarHBondContact O-CB 3.32Å; R500-L503 PolarHBondContact O-N 3.47Å; R500-A504 PolarHBondContact O-N 3.4Å; R500-A504 VanDerWaalsContact O-N 3.15Å
501E96.5Very high94.5Very high45 Ų4564.6 Ų64.621%0.2134%0.335CS..Hα-helixtrans-63.5-42177.5-68.3-80.6-179.700110.7M460 R497 V498 L503 A504 L505M460-E501 HydrophobicContact CB-CB 4.26Å; M460-E501 HydrophobicContact CE-CB 3.83Å; M460-E501 HydrophobicContact CG-CB 3.8Å; M460-E501 HydrophobicContact CG-CG 3.98Å; M460-E501 HydrophobicContact SD-CB 4.42Å; R497-E501 HydrophobicContact CG-CG 4.42Å; R497-E501 IonicContact CZ-OE1 3.33Å; R497-E501 VanDerWaalsContact CZ-OE1 3.27Å; R497-E501 IonicContact NE-OE1 3.72Å; R497-E501 PolarHBondContact NE-OE1 3.18Å; R497-E501 IonicContact NH2-OE1 2.84Å; R497-E501 PolarHBondContact NH2-OE1 3.24Å; R497-E501 WeakPolarHBondContact O-CG 3.34Å; R497-E501 PolarHBondContact O-N 3.37Å; V498-E501 PolarHBondContact O-N 3.22Å; E501-L503 VanDerWaalsContact C-N 3.34Å; E501-L503 PolarHBondContact O-N 3.16Å; E501-A504 PolarHBondContact O-N 2.86Å; E501-A504 VanDerWaalsContact O-N 3.16Å; E501-L505 WeakPolarHBondContact O-CB 3.31Å; E501-L505 WeakPolarHBondContact O-CG 3.43Å; E501-L505 PolarHBondContact O-N 2.99Å
502L95.8Very high94.5Very high0 Ų066.8 Ų66.80%035%0.345CS..Hα-helixtrans-61.4-41.4173.8-80.8167.2000112.6M460 L463 V482 V498 E499 R500 A504 L505 R506 F512 V514M460-L502 HydrophobicContact CE-CD2 4.19Å; M460-L502 HydrophobicContact CE-CG 3.82Å; L463-L502 HydrophobicContact CD2-CD2 3.77Å; V482-L502 HydrophobicContact CB-CD1 4.21Å; V482-L502 HydrophobicContact CG1-CD1 4.16Å; V482-L502 HydrophobicContact CG2-CD1 3.82Å; V498-L502 HydrophobicContact CG1-CD1 3.83Å; V498-L502 HydrophobicContact CG1-CG 4.4Å; V498-L502 WeakPolarHBondContact O-CB 3.22Å; V498-L502 WeakPolarHBondContact O-CG 3.46Å; V498-L502 PolarHBondContact O-N 3.02Å; E499-L502 PolarHBondContact O-N 3.35Å; R500-L502 VanDerWaalsContact C-N 3.35Å; L502-A504 PolarHBondContact O-N 2.83Å; L502-L505 PolarHBondContact O-N 2.75Å; L502-R506 VanDerWaalsContact O-CB 3.25Å; L502-R506 WeakPolarHBondContact O-CB 3.21Å; L502-R506 WeakPolarHBondContact O-CG 3.32Å; L502-R506 PolarHBondContact O-N 3.25Å; L502-F512 HydrophobicContact CB-CD2 4.12Å; L502-F512 HydrophobicContact CB-CE1 4.44Å; L502-F512 HydrophobicContact CB-CE2 3.92Å; L502-F512 HydrophobicContact CB-CG 4.47Å; L502-F512 HydrophobicContact CB-CZ 4.09Å; L502-F512 HydrophobicContact CD1-CD2 4.1Å; L502-F512 HydrophobicContact CD1-CE2 4.42Å; L502-V514 HydrophobicContact CD1-CG2 3.5Å; L502-V514 VanDerWaalsContact CD1-CG2 3.5Å
503L95.4Very high94.4Very high123 Ų12368.4 Ų68.464%0.64434%0.343SS*.Hα-helixtrans-59.2-37.1175.7-174.564.5000111.9E499 R500 E501 F512E499-L503 PolarHBondContact O-N 2.82Å; R500-L503 WeakPolarHBondContact O-CB 3.32Å; R500-L503 PolarHBondContact O-N 3.47Å; E501-L503 VanDerWaalsContact C-N 3.34Å; E501-L503 PolarHBondContact O-N 3.16Å; L503-F512 HydrophobicContact CB-CE1 4.27Å; L503-F512 HydrophobicContact CB-CZ 4.04Å; L503-F512 HydrophobicContact CD1-CE1 4.13Å; L503-F512 HydrophobicContact CD1-CZ 4.45Å
504A93.6Very high94.4Very high84 Ų8467.7 Ų67.769%0.69434%0.335SS*.Hα-helixtrans-74.9-35177.200000113R500 E501 L502R500-A504 PolarHBondContact O-N 3.4Å; R500-A504 VanDerWaalsContact O-N 3.15Å; E501-A504 PolarHBondContact O-N 2.86Å; E501-A504 VanDerWaalsContact O-N 3.16Å; L502-A504 PolarHBondContact O-N 2.83Å
505L92.9Very high94.3Very high50 Ų5069 Ų6926%0.26234%0.343SS..Hα-helixtrans-77.7-28.9-178.5-70.5173000113.5M460 Q464 E501 L502M460-L505 HydrophobicContact CB-CD1 4.26Å; M460-L505 HydrophobicContact CE-CD1 4.17Å; Q464-L505 HydrophobicContact CB-CD1 4.34Å; Q464-L505 HydrophobicContact CB-CD2 4.09Å; Q464-L505 VanDerWaalsContact CD-CD2 3.5Å; Q464-L505 HydrophobicContact CG-CD2 4.07Å; E501-L505 WeakPolarHBondContact O-CB 3.31Å; E501-L505 WeakPolarHBondContact O-CG 3.43Å; E501-L505 PolarHBondContact O-N 2.99Å; L502-L505 PolarHBondContact O-N 2.75Å
506R91.9Very high94.2Very high27 Ų2768.9 Ų68.910%0.10234%0.344CS..SBendtrans-89.6150.4-170.4-71.7-66.3-64.8163.5-6.6112.6E476 L502 S510 F512E476-R506 IonicContact OE2-NH2 2.68Å; E476-R506 PolarHBondContact OE2-NH2 2.83Å; L502-R506 VanDerWaalsContact O-CB 3.25Å; L502-R506 WeakPolarHBondContact O-CB 3.21Å; L502-R506 WeakPolarHBondContact O-CG 3.32Å; L502-R506 PolarHBondContact O-N 3.25Å; R506-S510 WeakPolarHBondContact CB-OG 3.38Å; R506-F512 HydrophobicContact CG-CD1 4.47Å
507P90.9Very high94Very high84 Ų8464.8 Ų64.855%0.54533%0.326SS..PPolyproline II helixtrans-57.4146.1173-22.933.6000112.1Q509 S510P507-Q509 PolarHBondContact O-N 3.18Å; P507-S510 WeakPolarHBondContact O-CB 3.42Å; P507-S510 PolarHBondContact O-N 2.78Å; P507-S510 VanDerWaalsContact O-N 3.12Å; P507-S510 PolarHBondContact O-OG 3.1Å
508F89.7Confident93.8Very high186 Ų18669.5 Ų69.582%0.81636%0.356SS*.THydrogen-bonded Turntrans-52.8136.4175.5-178-113000110.8S510F508-S510 VanDerWaalsContact C-N 3.28Å; F508-S510 PolarHBondContact O-N 3.25Å
509Q86.9Confident93.7Very high157 Ų15773.7 Ų73.773%0.73437%0.372SS*.THydrogen-bonded Turntrans67.96.2-176.6-62.4175.3-12.500117.2P507P507-Q509 PolarHBondContact O-N 3.18Å
510S89.9Confident93.5Very high30 Ų3071.3 Ų71.321%0.2136%0.362CS..  trans-72.8154.9169.3630000112.1R506 P507 F508R506-S510 WeakPolarHBondContact CB-OG 3.38Å; P507-S510 WeakPolarHBondContact O-CB 3.42Å; P507-S510 PolarHBondContact O-N 2.78Å; P507-S510 VanDerWaalsContact O-N 3.12Å; P507-S510 PolarHBondContact O-OG 3.1Å; F508-S510 VanDerWaalsContact C-N 3.28Å; F508-S510 PolarHBondContact O-N 3.25Å
511H91.3Very high93.3Very high146 Ų14668.3 Ų68.368%0.67636%0.355SS*.  trans-105.1142.7178.9-60-69.9000110.6E476 V479E476-H511 WeakPolarHBondContact OE1-CB 3.33Å; E476-H511 PolarHBondContact OE1-N 2.87Å; V479-H511 WeakPolarHBondContact CG2-O 3.44Å
512F94.5Very high93.2Very high56 Ų5668.5 Ų68.525%0.24636%0.357CS..  trans-148.7161.1172.263.5-92.2000109.5V479 E499 L502 L503 R506 V514V479-F512 HydrophobicContact CB-CB 3.96Å; V479-F512 HydrophobicContact CG2-CB 3.94Å; V479-F512 VanDerWaalsContact O-CA 3.31Å; V479-F512 WeakPolarHBondContact O-CA 3.34Å; V479-F512 WeakPolarHBondContact O-CB 3.36Å; E499-F512 HydrophobicContact CB-CE2 4.45Å; E499-F512 WeakPolarHBondContact O-CZ 3.46Å; L502-F512 HydrophobicContact CB-CD2 4.12Å; L502-F512 HydrophobicContact CB-CE1 4.44Å; L502-F512 HydrophobicContact CB-CE2 3.92Å; L502-F512 HydrophobicContact CB-CG 4.47Å; L502-F512 HydrophobicContact CB-CZ 4.09Å; L502-F512 HydrophobicContact CD1-CD2 4.1Å; L502-F512 HydrophobicContact CD1-CE2 4.42Å; L503-F512 HydrophobicContact CB-CE1 4.27Å; L503-F512 HydrophobicContact CB-CZ 4.04Å; L503-F512 HydrophobicContact CD1-CE1 4.13Å; L503-F512 HydrophobicContact CD1-CZ 4.45Å; R506-F512 HydrophobicContact CG-CD1 4.47Å; F512-V514 HydrophobicContact CD2-CG2 4.22Å; F512-V514 HydrophobicContact CE2-CG2 4.39Å
513K94.8Very high93.2Very high120 Ų12068.5 Ų68.552%0.52236%0.357SS..  trans-140123.4175.7-176.6-172.8178.2-174.50109.4V479 S480 V482 T515V479-K513 PolarHBondContact O-N 2.99Å; S480-K513 WeakPolarHBondContact O-CB 3.44Å; V482-K513 PolarHBondContact N-O 3.41Å; K513-T515 HydrophobicContact CD-CG2 4.09Å; K513-T515 HydrophobicContact CG-CG2 4.11Å
514V96.4Very high93.3Very high5 Ų563.1 Ų63.13%0.0333%0.33CS..EExtended strand (participates in β ladder)trans-96123.3172.5-174.40000108.8V482 L484 K495 V498 E499 L502 F512V482-V514 HydrophobicContact CB-CG2 4.24Å; V482-V514 CarbonylContact O-C 3.35Å; V482-V514 WeakPolarHBondContact O-CA 3.24Å; L484-V514 HydrophobicContact CD1-CG1 3.66Å; L484-V514 HydrophobicContact CD2-CG1 4.22Å; L484-V514 HydrophobicContact CG-CG1 3.82Å; K495-V514 VanDerWaalsContact CE-O 3.3Å; K495-V514 WeakPolarHBondContact CE-O 3.35Å; K495-V514 HydrophobicContact CG-CG1 4.01Å; V498-V514 HydrophobicContact CG1-CG1 4.2Å; V498-V514 HydrophobicContact CG1-CG2 4.17Å; E499-V514 HydrophobicContact CB-CG2 4.4Å; E499-V514 HydrophobicContact CG-CB 3.62Å; E499-V514 HydrophobicContact CG-CG1 4.35Å; E499-V514 HydrophobicContact CG-CG2 3.46Å; E499-V514 VanDerWaalsContact CG-CG2 3.46Å; L502-V514 HydrophobicContact CD1-CG2 3.5Å; L502-V514 VanDerWaalsContact CD1-CG2 3.5Å; F512-V514 HydrophobicContact CD2-CG2 4.22Å; F512-V514 HydrophobicContact CE2-CG2 4.39Å
515T94.2Very high93.5Very high27 Ų2759.1 Ų59.117%0.16630%0.297CS..EExtended strand (participates in β ladder)trans-115.4135176.356.60000108.6N481 V482 F483 L484 K513N481-T515 PolarHBondContact OD1-OG1 3.4Å; V482-T515 PolarHBondContact O-N 2.85Å; F483-T515 CarbonylContact C-O 3.57Å; F483-T515 WeakPolarHBondContact CA-O 3.24Å; F483-T515 WeakPolarHBondContact CD2-OG1 3.34Å; L484-T515 PolarHBondContact N-O 3.17Å; K513-T515 HydrophobicContact CD-CG2 4.09Å; K513-T515 HydrophobicContact CG-CG2 4.11Å
516M95Very high93.7Very high67 Ų6757.1 Ų57.133%0.3329%0.286SS..EExtended strand (participates in β ladder)trans-103.5138.7172.5-175.6171.3-79.500108.1L484 M489 M494 K495 P520L484-M516 HydrophobicContact CB-CG 4.46Å; L484-M516 HydrophobicContact CD1-CE 3.97Å; M489-M516 WeakPolarHBondContact O-CE 3.41Å; M494-M516 HydrophobicContact CB-CE 4.38Å; K495-M516 HydrophobicContact CB-CE 3.91Å; M516-P520 HydrophobicContact CG-CG 4.06Å; M516-P520 HydrophobicContact SD-CG 4.49Å
517A95.5Very high93.8Very high5 Ų556 Ų564%0.04128%0.283CS..  trans-52.9144.6171.500000110.6F483 L484 R519 P520 D523F483-A517 HydrophobicContact CE1-CB 4.38Å; F483-A517 HydrophobicContact CE2-CB 3.92Å; F483-A517 HydrophobicContact CZ-CB 3.53Å; L484-A517 WeakPolarHBondContact O-CB 3.43Å; L484-A517 PolarHBondContact O-N 2.93Å; A517-R519 VanDerWaalsContact C-N 3.3Å; A517-R519 PolarHBondContact O-N 2.91Å; A517-P520 HydrophobicContact CB-CB 4.21Å; A517-P520 HydrophobicContact CB-CG 4.05Å; A517-P520 WeakPolarHBondContact O-CD 3.32Å; A517-D523 WeakPolarHBondContact CB-OD2 3.45Å
518T93.7Very high94.1Very high107 Ų10752 Ų5266%0.65626%0.258SS*.SBendtrans-61.4-41.9-179.2-55.40000111N177 D523N177-T518 PolarHBondContact OD1-N 3.26Å; N177-T518 PolarHBondContact OD1-OG1 2.92Å; T518-D523 PolarHBondContact N-OD2 3.29Å
519R94.5Very high94.4Very high88 Ų8844.3 Ų44.333%0.33222%0.223SC..SBendtrans-135.185.3172.1-59.5166-70.6-166.8-4.5108.6A517 G521 L522 D523 Y526A517-R519 VanDerWaalsContact C-N 3.3Å; A517-R519 PolarHBondContact O-N 2.91Å; R519-G521 PolarHBondContact O-N 3.44Å; R519-L522 HydrophobicContact CB-CB 4.11Å; R519-L522 PolarHBondContact O-N 2.98Å; R519-D523 WeakPolarHBondContact CB-OD1 3.44Å; R519-D523 VanDerWaalsContact N-CG 3.31Å; R519-D523 PolarHBondContact N-OD1 3.49Å; R519-D523 PolarHBondContact N-OD2 3.37Å; R519-D523 IonicContact NE-OD1 3.08Å; R519-D523 PolarHBondContact NE-OD1 2.92Å; R519-D523 WeakPolarHBondContact O-CB 3.32Å; R519-D523 PolarHBondContact O-N 3.47Å; R519-Y526 VanDerWaalsContact CZ-CZ 3.41Å; R519-Y526 PolarHBondContact NH1-OH 2.88Å; R519-Y526 VanDerWaalsContact NH2-CZ 3.33Å
520P93.3Very high94.8Very high13 Ų1338 Ų388%0.08419%0.194CC..THydrogen-bonded Turntrans-56.3-27.5-170.4-25.232.4000115G486 Q490 M516 A517G486-P520 CarbonylContact C-O 3.6Å; G486-P520 VanDerWaalsContact CA-O 3.3Å; G486-P520 WeakPolarHBondContact CA-O 3.26Å; G486-P520 PolarHBondContact N-O 3.26Å; G486-P520 WeakPolarHBondContact O-CB 3.3Å; Q490-P520 HydrophobicContact CG-CB 3.79Å; Q490-P520 HydrophobicContact CG-CG 3.76Å; M516-P520 HydrophobicContact CG-CG 4.06Å; M516-P520 HydrophobicContact SD-CG 4.49Å; A517-P520 HydrophobicContact CB-CB 4.21Å; A517-P520 HydrophobicContact CB-CG 4.05Å; A517-P520 WeakPolarHBondContact O-CD 3.32Å
521G92.1Very high95Very high15 Ų1537.2 Ų37.216%0.15519%0.187CC..THydrogen-bonded Turntrans-89.3-2.5177.400000116.1R49 R519R49-G521 PolarHBondContact NE-O 3.47Å; R49-G521 PolarHBondContact NH2-O 3.21Å; R519-G521 PolarHBondContact O-N 3.44Å
522L95.4Very high95.1Very high48 Ų4830.4 Ų30.425%0.25116%0.156SC..THydrogen-bonded Turntrans-131.7-24-177.8-66.5176.3000113.6P62 L65 R519 A524 W525 Y526P62-L522 HydrophobicContact CG-CD2 4.36Å; L65-L522 HydrophobicContact CD1-CD2 3.68Å; R519-L522 HydrophobicContact CB-CB 4.11Å; R519-L522 PolarHBondContact O-N 2.98Å; L522-A524 PolarHBondContact O-N 3.08Å; L522-A524 VanDerWaalsContact O-N 3.1Å; L522-W525 WeakPolarHBondContact O-CB 3.45Å; L522-W525 PolarHBondContact O-N 2.95Å; L522-Y526 HydrophobicContact CB-CD2 4.03Å; L522-Y526 HydrophobicContact CB-CE2 3.88Å; L522-Y526 HydrophobicContact CD1-CE2 4.46Å; L522-Y526 WeakPolarHBondContact O-CD2 3.31Å; L522-Y526 PolarHBondContact O-N 3.12Å
523D95.7Very high95Very high0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-61.9-22.5-172.4-77.7-2.3000113.7S173 N177 A517 T518 R519 Y526 G527S173-D523 WeakPolarHBondContact OG-CB 3.39Å; N177-D523 PolarHBondContact ND2-OD2 2.9Å; N177-D523 PolarHBondContact OD1-OD2 2.87Å; A517-D523 WeakPolarHBondContact CB-OD2 3.45Å; T518-D523 PolarHBondContact N-OD2 3.29Å; R519-D523 WeakPolarHBondContact CB-OD1 3.44Å; R519-D523 VanDerWaalsContact N-CG 3.31Å; R519-D523 PolarHBondContact N-OD1 3.49Å; R519-D523 PolarHBondContact N-OD2 3.37Å; R519-D523 IonicContact NE-OD1 3.08Å; R519-D523 PolarHBondContact NE-OD1 2.92Å; R519-D523 WeakPolarHBondContact O-CB 3.32Å; R519-D523 PolarHBondContact O-N 3.47Å; D523-Y526 PolarHBondContact O-N 3.42Å; D523-G527 PolarHBondContact O-N 3.48Å
524A97Very high94.9Very high10 Ų1030.3 Ų30.38%0.08316%0.16CC..Hα-helixtrans-60.4-46170.300000112.1D169 Y172 L522 A528D169-A524 HydrophobicContact CB-CB 3.75Å; D169-A524 WeakPolarHBondContact O-CB 3.35Å; Y172-A524 WeakPolarHBondContact CB-O 3.48Å; L522-A524 PolarHBondContact O-N 3.08Å; L522-A524 VanDerWaalsContact O-N 3.1Å; A524-A528 WeakPolarHBondContact O-CB 3.41Å; A524-A528 PolarHBondContact O-N 2.96Å
525W97.9Very high94.7Very high0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-66.6-41176.8-17788.8000111.1V40 D42 R49 S61 P62 L522 A528 R529V40-W525 HydrophobicContact CG1-CG 4.25Å; V40-W525 PolarHBondContact O-NE1 3.48Å; V40-W525 VanDerWaalsContact O-NE1 3.09Å; D42-W525 HydrophobicContact CB-CB 4.11Å; R49-W525 HydrophobicContact CB-CG 4.41Å; S61-W525 VanDerWaalsContact C-CZ3 3.46Å; S61-W525 WeakPolarHBondContact O-CH2 3.41Å; P62-W525 HydrophobicContact CB-CD2 3.86Å; P62-W525 HydrophobicContact CB-CE3 4.29Å; P62-W525 HydrophobicContact CB-CG 4.24Å; P62-W525 HydrophobicContact CB-CZ2 4.14Å; P62-W525 HydrophobicContact CG-CD2 4.26Å; P62-W525 HydrophobicContact CG-CE3 4.33Å; L522-W525 WeakPolarHBondContact O-CB 3.45Å; L522-W525 PolarHBondContact O-N 2.95Å; W525-A528 PolarHBondContact O-N 3.42Å; W525-R529 HydrophobicContact CH2-CG 4.33Å; W525-R529 HydrophobicContact CZ3-CB 4.45Å; W525-R529 WeakPolarHBondContact O-CB 3.48Å; W525-R529 PolarHBondContact O-N 3.01Å
526Y96.2Very high94.6Very high9 Ų936.3 Ų36.34%0.03519%0.193CC..Hα-helixtrans-63.3-45.2176.4-76.9-70.8000113D60 S61 R519 L522 D523 A528 R529 D530D60-Y526 WeakPolarHBondContact O-CE1 3.43Å; D60-Y526 VanDerWaalsContact O-CZ 3.29Å; D60-Y526 PolarHBondContact O-OH 3.22Å; S61-Y526 WeakPolarHBondContact CA-OH 3.45Å; R519-Y526 VanDerWaalsContact CZ-CZ 3.41Å; R519-Y526 PolarHBondContact NH1-OH 2.88Å; R519-Y526 VanDerWaalsContact NH2-CZ 3.33Å; L522-Y526 HydrophobicContact CB-CD2 4.03Å; L522-Y526 HydrophobicContact CB-CE2 3.88Å; L522-Y526 HydrophobicContact CD1-CE2 4.46Å; L522-Y526 WeakPolarHBondContact O-CD2 3.31Å; L522-Y526 PolarHBondContact O-N 3.12Å; D523-Y526 PolarHBondContact O-N 3.42Å; Y526-A528 VanDerWaalsContact C-N 3.34Å; Y526-A528 PolarHBondContact O-N 3.08Å; Y526-R529 WeakPolarHBondContact O-CB 3.44Å; Y526-R529 PolarHBondContact O-N 3.31Å; Y526-D530 WeakPolarHBondContact O-CB 3.38Å; Y526-D530 PolarHBondContact O-N 3.37Å
527G95.6Very high94.5Very high4 Ų434.5 Ų34.54%0.04119%0.189CC..Hα-helixtrans-65.4-37.5176.600000113.1Y172 D523 W531Y172-G527 WeakPolarHBondContact O-CA 3.4Å; D523-G527 PolarHBondContact O-N 3.48Å; G527-W531 VanDerWaalsContact O-CB 3.26Å; G527-W531 WeakPolarHBondContact O-CB 3.46Å; G527-W531 PolarHBondContact O-N 2.9Å
528A97.3Very high94.3Very high0 Ų036.6 Ų36.60%021%0.206CC..Hα-helixtrans-63.6-44.2173.200000111.5V40 L136 Y172 A524 W525 Y526 W531 A532V40-A528 HydrophobicContact CG1-CB 3.55Å; L136-A528 HydrophobicContact CD1-CB 4.26Å; L136-A528 VanDerWaalsContact CD1-O 3.28Å; L136-A528 WeakPolarHBondContact CD1-O 3.26Å; L136-A528 HydrophobicContact CD2-CB 3.62Å; Y172-A528 HydrophobicContact CD1-CB 4.09Å; Y172-A528 HydrophobicContact CD2-CB 3.88Å; Y172-A528 HydrophobicContact CE1-CB 4.27Å; Y172-A528 HydrophobicContact CE2-CB 4.03Å; Y172-A528 HydrophobicContact CG-CB 3.9Å; A524-A528 WeakPolarHBondContact O-CB 3.41Å; A524-A528 PolarHBondContact O-N 2.96Å; W525-A528 PolarHBondContact O-N 3.42Å; Y526-A528 VanDerWaalsContact C-N 3.34Å; Y526-A528 PolarHBondContact O-N 3.08Å; A528-W531 PolarHBondContact O-N 3.06Å; A528-A532 WeakPolarHBondContact O-CB 3.43Å; A528-A532 PolarHBondContact O-N 3.11Å
529R95.8Very high93.9Very high23 Ų2335.2 Ų35.29%0.08721%0.206CC..Hα-helixtrans-60.7-49.5175.1-174-155.464.3-175.3-0.7112.2V40 A53 F59 D60 W525 Y526 W531 A532 L533V40-R529 HydrophobicContact CG2-CB 4.2Å; A53-R529 HydrophobicContact CB-CG 3.87Å; F59-R529 PolarHBondContact O-NH1 3.22Å; D60-R529 VanDerWaalsContact CA-NH1 3.32Å; D60-R529 IonicContact OD1-CZ 3.47Å; D60-R529 IonicContact OD1-NH1 2.77Å; D60-R529 PolarHBondContact OD1-NH1 2.98Å; D60-R529 IonicContact OD1-NH2 3.35Å; W525-R529 HydrophobicContact CH2-CG 4.33Å; W525-R529 HydrophobicContact CZ3-CB 4.45Å; W525-R529 WeakPolarHBondContact O-CB 3.48Å; W525-R529 PolarHBondContact O-N 3.01Å; Y526-R529 WeakPolarHBondContact O-CB 3.44Å; Y526-R529 PolarHBondContact O-N 3.31Å; R529-W531 VanDerWaalsContact C-N 3.31Å; R529-W531 PolarHBondContact O-N 3.39Å; R529-A532 PolarHBondContact O-N 3Å; R529-L533 HydrophobicContact CG-CD1 4.32Å; R529-L533 WeakPolarHBondContact O-CG 3.41Å; R529-L533 PolarHBondContact O-N 3.44Å
530D93.9Very high93.5Very high26 Ų2634.6 Ų34.614%0.13923%0.227CC..Hα-helixtrans-63.4-40.8-179.6-66.1-6.8000110.5H176 Y526 A532 L533 E534H176-D530 IonicContact CE1-OD2 3.48Å; H176-D530 PolarHBondContact CE1-OD2 3.4Å; H176-D530 IonicContact CG-OD2 2.91Å; H176-D530 IonicContact ND1-OD2 3.22Å; H176-D530 PolarHBondContact ND1-OD2 3.27Å; Y526-D530 WeakPolarHBondContact O-CB 3.38Å; Y526-D530 PolarHBondContact O-N 3.37Å; D530-A532 PolarHBondContact O-N 2.98Å; D530-L533 PolarHBondContact O-N 3.19Å; D530-E534 WeakPolarHBondContact O-CB 3.47Å; D530-E534 WeakPolarHBondContact O-CG 3.49Å; D530-E534 PolarHBondContact O-N 3.49Å
531W94.7Very high93.4Very high12 Ų1235.2 Ų35.25%0.04523%0.233CC..Hα-helixtrans-60.3-44.8173.4-175.891.3000112.1L136 S165 Y172 G527 A528 R529 L533 E534 H535 W544 H561L136-W531 HydrophobicContact CD1-CD2 4.45Å; L136-W531 HydrophobicContact CD1-CE3 3.41Å; L136-W531 VanDerWaalsContact CD1-CE3 3.41Å; L136-W531 HydrophobicContact CD1-CZ3 3.84Å; S165-W531 WeakPolarHBondContact OG-CH2 3.42Å; Y172-W531 HydrophobicContact CD1-CB 4.24Å; Y172-W531 HydrophobicContact CE1-CB 3.95Å; Y172-W531 HydrophobicContact CE1-CD2 4.33Å; Y172-W531 AromaticContact CE1-CG 3.99Å; Y172-W531 HydrophobicContact CE1-CG 3.99Å; G527-W531 VanDerWaalsContact O-CB 3.26Å; G527-W531 WeakPolarHBondContact O-CB 3.46Å; G527-W531 PolarHBondContact O-N 2.9Å; A528-W531 PolarHBondContact O-N 3.06Å; R529-W531 VanDerWaalsContact C-N 3.31Å; R529-W531 PolarHBondContact O-N 3.39Å; W531-L533 VanDerWaalsContact C-N 3.3Å; W531-L533 PolarHBondContact O-N 3.22Å; W531-E534 PolarHBondContact O-N 3.5Å; W531-H535 AromaticContact CD1-CE1 3.7Å; W531-H535 AromaticContact CD1-ND1 3.58Å; W531-H535 HydrophobicContact CD2-CB 4.43Å; W531-H535 AromaticContact CD2-ND1 3.91Å; W531-H535 AromaticContact CE2-CG 3.9Å; W531-H535 AromaticContact CE2-ND1 3.74Å; W531-H535 AromaticContact CG-ND1 3.83Å; W531-H535 HydrophobicContact CH2-CB 4.25Å; W531-H535 HydrophobicContact CZ2-CB 4.13Å; W531-H535 HydrophobicContact CZ3-CB 4.44Å; W531-H535 AromaticContact NE1-CE1 3.63Å; W531-H535 AromaticContact NE1-CG 4Å; W531-H535 AromaticContact NE1-ND1 3.51Å; W531-H535 WeakPolarHBondContact O-CB 3.49Å; W531-H535 PolarHBondContact O-N 3.24Å; W531-H535 PolarHBondContact O-ND1 3.36Å; W531-W544 AromaticContact CH2-NE1 3.9Å; W531-W544 AromaticContact CZ3-CE2 3.86Å; W531-W544 AromaticContact CZ3-CZ2 3.89Å; W531-W544 HydrophobicContact CZ3-CZ2 3.89Å; W531-W544 AromaticContact CZ3-NE1 3.85Å; W531-H561 AromaticContact CE2-CG 3.92Å; W531-H561 AromaticContact CE2-ND1 3.75Å; W531-H561 HydrophobicContact CZ2-CB 3.77Å; W531-H561 AromaticContact CZ2-CD2 3.75Å; W531-H561 AromaticContact CZ2-CG 3.5Å; W531-H561 AromaticContact CZ2-ND1 3.83Å; W531-H561 AromaticContact NE1-ND1 3.72Å
532A94.7Very high93.2Very high3 Ų341 Ų413%0.02526%0.256CS..Hα-helixtrans-65.2-32.6178.200000112.9P38 A53 L136 A528 R529 D530 H535 W544P38-A532 HydrophobicContact CB-CB 4.26Å; P38-A532 HydrophobicContact CG-CB 4.32Å; A53-A532 HydrophobicContact CB-CB 3.8Å; L136-A532 HydrophobicContact CD1-CB 3.86Å; A528-A532 WeakPolarHBondContact O-CB 3.43Å; A528-A532 PolarHBondContact O-N 3.11Å; R529-A532 PolarHBondContact O-N 3Å; D530-A532 PolarHBondContact O-N 2.98Å; A532-H535 CarbonylContact O-C 3.43Å; A532-W544 HydrophobicContact CB-CZ2 4.43Å
533L92.1Very high93.2Very high67 Ų6738.7 Ų38.735%0.35124%0.244SC..Hα-helixtrans-71.7-37.7174-71.4172.6000112A53 R529 D530 W531A53-L533 HydrophobicContact CB-CD2 4.41Å; A53-L533 HydrophobicContact CB-CG 4.31Å; R529-L533 HydrophobicContact CG-CD1 4.32Å; R529-L533 WeakPolarHBondContact O-CG 3.41Å; R529-L533 PolarHBondContact O-N 3.44Å; D530-L533 PolarHBondContact O-N 3.19Å; W531-L533 VanDerWaalsContact C-N 3.3Å; W531-L533 PolarHBondContact O-N 3.22Å
534E91.6Very high93.3Very high107 Ų10739 Ų3950%0.525%0.245SC..Hα-helixtrans-75.1-26.7177.3-72.5173.3-171.100113Q179 D530 W531 P536Q179-E534 PolarHBondContact NE2-OE1 3.14Å; Q179-E534 PolarHBondContact NE2-OE2 3.34Å; Q179-E534 VanDerWaalsContact NE2-OE2 3.14Å; D530-E534 WeakPolarHBondContact O-CB 3.47Å; D530-E534 WeakPolarHBondContact O-CG 3.49Å; D530-E534 PolarHBondContact O-N 3.49Å; W531-E534 PolarHBondContact O-N 3.5Å; E534-P536 WeakPolarHBondContact O-CD 3.49Å
535H92.5Very high93.3Very high69 Ų6938.7 Ų38.732%0.31924%0.242SC..SBendtrans-124.178.4-177.2-54.180.1000110.5W531 A532 A537 W544W531-H535 AromaticContact CD1-CE1 3.7Å; W531-H535 AromaticContact CD1-ND1 3.58Å; W531-H535 HydrophobicContact CD2-CB 4.43Å; W531-H535 AromaticContact CD2-ND1 3.91Å; W531-H535 AromaticContact CE2-CG 3.9Å; W531-H535 AromaticContact CE2-ND1 3.74Å; W531-H535 AromaticContact CG-ND1 3.83Å; W531-H535 HydrophobicContact CH2-CB 4.25Å; W531-H535 HydrophobicContact CZ2-CB 4.13Å; W531-H535 HydrophobicContact CZ3-CB 4.44Å; W531-H535 AromaticContact NE1-CE1 3.63Å; W531-H535 AromaticContact NE1-CG 4Å; W531-H535 AromaticContact NE1-ND1 3.51Å; W531-H535 WeakPolarHBondContact O-CB 3.49Å; W531-H535 PolarHBondContact O-N 3.24Å; W531-H535 PolarHBondContact O-ND1 3.36Å; A532-H535 CarbonylContact O-C 3.43Å; H535-A537 PolarHBondContact O-N 3.43Å; H535-W544 PolarHBondContact O-NE1 3.04Å
536P92.1Very high93.3Very high90 Ų9039.2 Ų39.258%0.58425%0.246SC*.  trans-56.8137.6179.9-24.734.2000112.3E534 A538E534-P536 WeakPolarHBondContact O-CD 3.49Å; P536-A538 PolarHBondContact O-N 3.32Å
537A92.3Very high93.2Very high28 Ų2842.9 Ų42.923%0.23126%0.26CS..  trans-65.3123.1178.900000111P134 F163 H535 W544P134-A537 HydrophobicContact CB-CB 3.7Å; P134-A537 HydrophobicContact CG-CB 3.5Å; F163-A537 HydrophobicContact CB-CB 4.24Å; F163-A537 HydrophobicContact CD2-CB 4.09Å; F163-A537 HydrophobicContact CG-CB 4.14Å; H535-A537 PolarHBondContact O-N 3.43Å; A537-W544 HydrophobicContact CB-CD2 3.79Å; A537-W544 HydrophobicContact CB-CE3 4.13Å; A537-W544 HydrophobicContact CB-CG 4.23Å; A537-W544 HydrophobicContact CB-CH2 4.38Å; A537-W544 HydrophobicContact CB-CZ2 4.06Å; A537-W544 HydrophobicContact CB-CZ3 4.4Å
538A91.4Very high93.2Very high49 Ų4948.3 Ų48.341%0.40528%0.284SS..  trans-153.5158.6174.600000110.4F163 P536 G540 A541F163-A538 VanDerWaalsContact CE1-C 3.44Å; P536-A538 PolarHBondContact O-N 3.32Å; A538-G540 PolarHBondContact O-N 2.75Å; A538-A541 HydrophobicContact CB-CB 4.23Å; A538-A541 WeakPolarHBondContact O-CB 3.2Å; A538-A541 PolarHBondContact O-N 2.88Å
539A86.4Confident93.2Very high79 Ų7949.4 Ų49.465%0.65329%0.29SS*.THydrogen-bonded Turntrans-60.5127.1174.200000110.4A541A539-A541 VanDerWaalsContact C-N 3.27Å; A539-A541 PolarHBondContact O-N 3.21Å
540G85.6Confident93.2Very high75 Ų7549.7 Ų49.777%0.77329%0.291SS*.THydrogen-bonded Turntrans76.24.5-175.800000115.4A538A538-G540 PolarHBondContact O-N 2.75Å
541A90.3Very high93.3Very high26 Ų2654.1 Ų54.122%0.21531%0.311CS..  trans-69.2137.2172.300000111.1A538 A539 G543 W544A538-A541 HydrophobicContact CB-CB 4.23Å; A538-A541 WeakPolarHBondContact O-CB 3.2Å; A538-A541 PolarHBondContact O-N 2.88Å; A539-A541 VanDerWaalsContact C-N 3.27Å; A539-A541 PolarHBondContact O-N 3.21Å; A541-G543 PolarHBondContact O-N 3.3Å; A541-W544 HydrophobicContact CB-CB 4.5Å; A541-W544 PolarHBondContact O-N 2.87Å
542E89.8Confident93.3Very high136 Ų13659.9 Ų59.964%0.63634%0.338SS*.THydrogen-bonded Turntrans-59.5136.3177.5-172.3179.317000110.9W544E542-W544 PolarHBondContact O-N 2.89Å
543G93.9Very high93.2Very high0 Ų063.9 Ų63.90%036%0.355CS..THydrogen-bonded Turntrans79.1-9.9178.900000115.9S165 A541 S559S165-G543 WeakPolarHBondContact CB-O 3.31Å; S165-G543 PolarHBondContact OG-O 2.9Å; A541-G543 PolarHBondContact O-N 3.3Å; G543-S559 WeakPolarHBondContact CA-OG 3.4Å; G543-S559 PolarHBondContact N-OG 3.22Å
544W97.3Very high93.2Very high5 Ų561.8 Ų61.82%0.01935%0.35CS..  trans-99.6143.2172.3-68.2100000111.1P38 P134 I135 L136 F163 W531 A532 H535 A537 A541 E542 S559P38-W544 HydrophobicContact CB-CH2 4.09Å; P38-W544 HydrophobicContact CG-CH2 4.36Å; P38-W544 HydrophobicContact CG-CZ2 4.41Å; P134-W544 HydrophobicContact CB-CE3 4.41Å; P134-W544 HydrophobicContact CB-CH2 3.89Å; P134-W544 HydrophobicContact CB-CZ3 3.71Å; I135-W544 WeakPolarHBondContact O-CZ3 3.48Å; L136-W544 HydrophobicContact CB-CH2 4.09Å; F163-W544 HydrophobicContact CB-CD2 4.5Å; F163-W544 HydrophobicContact CB-CE3 3.77Å; F163-W544 HydrophobicContact CB-CZ3 4.35Å; F163-W544 HydrophobicContact CD1-CB 4.49Å; W531-W544 AromaticContact CH2-NE1 3.9Å; W531-W544 AromaticContact CZ3-CE2 3.86Å; W531-W544 AromaticContact CZ3-CZ2 3.89Å; W531-W544 HydrophobicContact CZ3-CZ2 3.89Å; W531-W544 AromaticContact CZ3-NE1 3.85Å; A532-W544 HydrophobicContact CB-CZ2 4.43Å; H535-W544 PolarHBondContact O-NE1 3.04Å; A537-W544 HydrophobicContact CB-CD2 3.79Å; A537-W544 HydrophobicContact CB-CE3 4.13Å; A537-W544 HydrophobicContact CB-CG 4.23Å; A537-W544 HydrophobicContact CB-CH2 4.38Å; A537-W544 HydrophobicContact CB-CZ2 4.06Å; A537-W544 HydrophobicContact CB-CZ3 4.4Å; A541-W544 HydrophobicContact CB-CB 4.5Å; A541-W544 PolarHBondContact O-N 2.87Å; E542-W544 PolarHBondContact O-N 2.89Å; W544-S559 WeakPolarHBondContact O-CB 3.3Å; W544-S559 PolarHBondContact O-OG 3.48Å
545I97.4Very high93Very high4 Ų457 Ų572%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-112.9116.6172.6-56.3166.3000105.9F156 F163 V164 Y166 D549 Y557F156-I545 HydrophobicContact CE2-CG2 4.16Å; F156-I545 HydrophobicContact CZ-CB 4.42Å; F156-I545 HydrophobicContact CZ-CG2 4.05Å; F156-I545 WeakPolarHBondContact CZ-O 3.45Å; F163-I545 CarbonylContact C-O 3.44Å; F163-I545 VanDerWaalsContact CA-O 3.23Å; F163-I545 WeakPolarHBondContact CA-O 3.17Å; V164-I545 PolarHBondContact N-O 3.07Å; V164-I545 WeakPolarHBondContact O-CB 3.22Å; V164-I545 PolarHBondContact O-N 3.49Å; Y166-I545 HydrophobicContact CD2-CD1 4.2Å; Y166-I545 HydrophobicContact CE2-CD1 4.25Å; I545-D549 HydrophobicContact CG2-CB 3.96Å; I545-Y557 WeakPolarHBondContact CD1-O 3.32Å; I545-Y557 HydrophobicContact CG1-CD1 4.25Å; I545-Y557 HydrophobicContact CG1-CE1 4.27Å; I545-Y557 HydrophobicContact CG2-CD1 4.05Å; I545-Y557 HydrophobicContact CG2-CE1 4.43Å
546S97.4Very high92.7Very high12 Ų1257.5 Ų57.58%0.08433%0.332CS..EExtended strand (participates in β ladder)trans-79.7161.8172.869.80000111.2Q548 D549 Y550S546-Q548 PolarHBondContact O-N 2.83Å; S546-D549 WeakPolarHBondContact CB-OD2 3.38Å; S546-D549 PolarHBondContact N-OD2 2.91Å; S546-D549 WeakPolarHBondContact O-CB 3.36Å; S546-D549 PolarHBondContact O-N 3.49Å; S546-D549 VanDerWaalsContact O-N 3.08Å; S546-D549 VanDerWaalsContact OG-CG 3.24Å; S546-D549 PolarHBondContact OG-N 3.08Å; S546-D549 PolarHBondContact OG-OD2 3.46Å; S546-Y550 PolarHBondContact O-N 3.38Å
547R95.8Very high92.7Very high86 Ų8656 Ų5633%0.32532%0.315SS..Hα-helixtrans-54.7-39.6170.2-177.7178.1175.2143.912.8112.4F156 P162 Y550 E551F156-R547 HydrophobicContact CD1-CB 3.97Å; F156-R547 HydrophobicContact CD1-CG 4.24Å; F156-R547 HydrophobicContact CE1-CB 4.06Å; P162-R547 PolarHBondContact O-N 3.22Å; P162-R547 VanDerWaalsContact O-N 3.14Å; R547-Y550 WeakPolarHBondContact O-CB 3.49Å; R547-Y550 PolarHBondContact O-N 3.26Å; R547-E551 HydrophobicContact CG-CG 4.47Å; R547-E551 WeakPolarHBondContact CG-OE1 3.28Å; R547-E551 IonicContact CZ-OE1 2.84Å; R547-E551 IonicContact NE-OE1 3.89Å; R547-E551 PolarHBondContact NE-OE1 2.91Å; R547-E551 IonicContact NH2-OE1 3.68Å; R547-E551 WeakPolarHBondContact O-CG 3.48Å; R547-E551 PolarHBondContact O-N 3.42Å
548Q95.9Very high92.8Very high117 Ų11754.9 Ų54.955%0.54731%0.305SS..Hα-helixtrans-64.4-41.7175.7-175.8178.8100111.7S546 Y550 E551 E552S546-Q548 PolarHBondContact O-N 2.83Å; Q548-Y550 VanDerWaalsContact C-N 3.28Å; Q548-Y550 PolarHBondContact O-N 3.46Å; Q548-E551 PolarHBondContact O-N 3.47Å; Q548-E552 HydrophobicContact CG-CG 4.35Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.5Å; Q548-E552 PolarHBondContact NE2-OE1 3.38Å; Q548-E552 WeakPolarHBondContact O-CB 3.27Å; Q548-E552 WeakPolarHBondContact O-CG 3.38Å; Q548-E552 PolarHBondContact O-N 3.33Å
549D95.6Very high92.9Very high23 Ų2353.2 Ų53.212%0.12329%0.29CS..Hα-helixtrans-59.1-41.9174.6-70.3-65.7000111.4I545 S546 K553 Y557I545-D549 HydrophobicContact CG2-CB 3.96Å; S546-D549 WeakPolarHBondContact CB-OD2 3.38Å; S546-D549 PolarHBondContact N-OD2 2.91Å; S546-D549 WeakPolarHBondContact O-CB 3.36Å; S546-D549 PolarHBondContact O-N 3.49Å; S546-D549 VanDerWaalsContact O-N 3.08Å; S546-D549 VanDerWaalsContact OG-CG 3.24Å; S546-D549 PolarHBondContact OG-N 3.08Å; S546-D549 PolarHBondContact OG-OD2 3.46Å; D549-K553 HydrophobicContact CB-CD 4.42Å; D549-K553 WeakPolarHBondContact O-CA 3.32Å; D549-K553 WeakPolarHBondContact O-CB 3.39Å; D549-K553 WeakPolarHBondContact O-CG 3.46Å; D549-K553 PolarHBondContact O-N 2.94Å; D549-K553 IonicContact OD1-NZ 3.57Å; D549-K553 PolarHBondContact OD1-NZ 2.99Å; D549-Y557 HydrophobicContact CB-CD1 4.34Å; D549-Y557 HydrophobicContact CB-CE1 4.16Å
550Y96.3Very high93.3Very high29 Ų2952.8 Ų52.811%0.11427%0.274CS..Hα-helixtrans-64.8-45.8177.1166.4-97.3000112.1F156 E157 S546 R547 Q548 E552 G554 G555F156-Y550 HydrophobicContact CB-CD1 3.77Å; F156-Y550 HydrophobicContact CB-CE1 3.84Å; F156-Y550 HydrophobicContact CB-CG 4.2Å; F156-Y550 AromaticContact CD2-CD1 3.98Å; F156-Y550 HydrophobicContact CD2-CD1 3.98Å; F156-Y550 AromaticContact CD2-CD2 3.66Å; F156-Y550 HydrophobicContact CD2-CD2 3.66Å; F156-Y550 HydrophobicContact CD2-CE2 4.26Å; F156-Y550 AromaticContact CD2-CG 3.5Å; F156-Y550 HydrophobicContact CD2-CG 3.5Å; F156-Y550 VanDerWaalsContact CD2-CG 3.5Å; F156-Y550 HydrophobicContact CE2-CD2 4.19Å; F156-Y550 HydrophobicContact CE2-CG 4.02Å; F156-Y550 AromaticContact CG-CD1 3.94Å; F156-Y550 HydrophobicContact CG-CD1 3.94Å; F156-Y550 HydrophobicContact CG-CD2 4.43Å; F156-Y550 HydrophobicContact CG-CE1 4.46Å; F156-Y550 AromaticContact CG-CG 3.92Å; F156-Y550 HydrophobicContact CG-CG 3.92Å; E157-Y550 HydrophobicContact CG-CE1 4.44Å; E157-Y550 VanDerWaalsContact OE1-CE1 3.31Å; E157-Y550 WeakPolarHBondContact OE1-CE1 3.49Å; E157-Y550 PolarHBondContact OE1-OH 3.5Å; S546-Y550 PolarHBondContact O-N 3.38Å; R547-Y550 WeakPolarHBondContact O-CB 3.49Å; R547-Y550 PolarHBondContact O-N 3.26Å; Q548-Y550 VanDerWaalsContact C-N 3.28Å; Q548-Y550 PolarHBondContact O-N 3.46Å; Y550-E552 VanDerWaalsContact C-N 3.32Å; Y550-E552 PolarHBondContact O-N 2.98Å; Y550-G554 VanDerWaalsContact O-CA 3.28Å; Y550-G554 WeakPolarHBondContact O-CA 3.45Å; Y550-G554 PolarHBondContact O-N 3.06Å; Y550-G555 VanDerWaalsContact CE2-CA 3.49Å
551E95.9Very high93.6Very high119 Ų11949.3 Ų49.356%0.55624%0.238SC*.Hα-helixtrans-63.8-35.4178.3-72.1171.4-175.400112.3R547 Q548R547-E551 HydrophobicContact CG-CG 4.47Å; R547-E551 WeakPolarHBondContact CG-OE1 3.28Å; R547-E551 IonicContact CZ-OE1 2.84Å; R547-E551 IonicContact NE-OE1 3.89Å; R547-E551 PolarHBondContact NE-OE1 2.91Å; R547-E551 IonicContact NH2-OE1 3.68Å; R547-E551 WeakPolarHBondContact O-CG 3.48Å; R547-E551 PolarHBondContact O-N 3.42Å; Q548-E551 PolarHBondContact O-N 3.47Å
552E95.4Very high93.7Very high134 Ų13449.9 Ų49.963%0.62624%0.24SC*.Hα-helixtrans-86.1-38.1-179.1-70.2-179.4-172.300113.9Q548 Y550Q548-E552 HydrophobicContact CG-CG 4.35Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.5Å; Q548-E552 PolarHBondContact NE2-OE1 3.38Å; Q548-E552 WeakPolarHBondContact O-CB 3.27Å; Q548-E552 WeakPolarHBondContact O-CG 3.38Å; Q548-E552 PolarHBondContact O-N 3.33Å; Y550-E552 VanDerWaalsContact C-N 3.32Å; Y550-E552 PolarHBondContact O-N 2.98Å
553K92.4Very high94Very high86 Ų8643.4 Ų43.437%0.37421%0.21SC..Hα-helixtrans-106.8-8.8-170.5-55.1172-178.2160.50113.8D549 Y557D549-K553 HydrophobicContact CB-CD 4.42Å; D549-K553 WeakPolarHBondContact O-CA 3.32Å; D549-K553 WeakPolarHBondContact O-CB 3.39Å; D549-K553 WeakPolarHBondContact O-CG 3.46Å; D549-K553 PolarHBondContact O-N 2.94Å; D549-K553 IonicContact OD1-NZ 3.57Å; D549-K553 PolarHBondContact OD1-NZ 2.99Å; K553-Y557 HydrophobicContact CB-CD1 4.32Å; K553-Y557 HydrophobicContact CB-CD2 4.08Å; K553-Y557 HydrophobicContact CB-CG 3.79Å; K553-Y557 HydrophobicContact CD-CD1 3.78Å; K553-Y557 HydrophobicContact CD-CD2 3.62Å; K553-Y557 HydrophobicContact CD-CE1 3.71Å; K553-Y557 HydrophobicContact CD-CE2 3.55Å; K553-Y557 HydrophobicContact CD-CG 3.72Å; K553-Y557 HydrophobicContact CG-CD2 4.46Å; K553-Y557 HydrophobicContact CG-CG 4.42Å; K553-Y557 PolarHBondContact NZ-OH 3.42Å; K553-Y557 VanDerWaalsContact NZ-OH 3.16Å
554G91.2Very high94.1Very high23 Ų2343.5 Ų43.524%0.23721%0.21CC..  trans86.1169179.600000114.4Y550 E556 Y557Y550-G554 VanDerWaalsContact O-CA 3.28Å; Y550-G554 WeakPolarHBondContact O-CA 3.45Å; Y550-G554 PolarHBondContact O-N 3.06Å; G554-E556 PolarHBondContact O-N 2.89Å; G554-Y557 WeakPolarHBondContact O-CB 3.31Å; G554-Y557 PolarHBondContact O-N 3.08Å
555G88.1Confident94Very high6 Ų643.5 Ų43.56%0.06221%0.211CC..THydrogen-bonded Turntrans-71.2-14.3-177.900000114.8Q149 Y550 Y557Q149-G555 WeakPolarHBondContact CA-O 3.32Å; Y550-G555 VanDerWaalsContact CE2-CA 3.49Å; G555-Y557 VanDerWaalsContact C-N 3.32Å
556E86.3Confident93.7Very high81 Ų8145.9 Ų45.938%0.37923%0.226SC..THydrogen-bonded Turntrans-75-21.1173.366.3-90.3-145.800113.5L145 G554 L558 F567L145-E556 HydrophobicContact CD1-CB 3.86Å; L145-E556 WeakPolarHBondContact CD1-O 3.43Å; L145-E556 HydrophobicContact CD2-CB 4.02Å; L145-E556 HydrophobicContact CG-CB 4.07Å; G554-E556 PolarHBondContact O-N 2.89Å; E556-L558 PolarHBondContact O-N 3.19Å; E556-F567 VanDerWaalsContact O-CE2 3.28Å; E556-F567 WeakPolarHBondContact O-CE2 3.48Å
557Y91.6Very high93.2Very high58 Ų5848.2 Ų48.223%0.22723%0.234CC..  trans-63135.6-174.2177.8-109.7000111.2I545 D549 K553 G554 G555I545-Y557 WeakPolarHBondContact CD1-O 3.32Å; I545-Y557 HydrophobicContact CG1-CD1 4.25Å; I545-Y557 HydrophobicContact CG1-CE1 4.27Å; I545-Y557 HydrophobicContact CG2-CD1 4.05Å; I545-Y557 HydrophobicContact CG2-CE1 4.43Å; D549-Y557 HydrophobicContact CB-CD1 4.34Å; D549-Y557 HydrophobicContact CB-CE1 4.16Å; K553-Y557 HydrophobicContact CB-CD1 4.32Å; K553-Y557 HydrophobicContact CB-CD2 4.08Å; K553-Y557 HydrophobicContact CB-CG 3.79Å; K553-Y557 HydrophobicContact CD-CD1 3.78Å; K553-Y557 HydrophobicContact CD-CD2 3.62Å; K553-Y557 HydrophobicContact CD-CE1 3.71Å; K553-Y557 HydrophobicContact CD-CE2 3.55Å; K553-Y557 HydrophobicContact CD-CG 3.72Å; K553-Y557 HydrophobicContact CG-CD2 4.46Å; K553-Y557 HydrophobicContact CG-CG 4.42Å; K553-Y557 PolarHBondContact NZ-OH 3.42Å; K553-Y557 VanDerWaalsContact NZ-OH 3.16Å; G554-Y557 WeakPolarHBondContact O-CB 3.31Å; G554-Y557 PolarHBondContact O-N 3.08Å; G555-Y557 VanDerWaalsContact C-N 3.32Å
558L93.9Very high92.6Very high5 Ų549.2 Ų49.23%0.02625%0.25CC..  trans-128.6124175.1177.765.6000108.9Y166 E556 E560 N565 F567Y166-L558 HydrophobicContact CD2-CD1 4.12Å; E556-L558 PolarHBondContact O-N 3.19Å; L558-E560 PolarHBondContact O-N 3.38Å; L558-N565 HydrophobicContact CD2-CB 4.3Å; L558-F567 HydrophobicContact CB-CB 4.26Å; L558-F567 HydrophobicContact CB-CD2 3.91Å; L558-F567 HydrophobicContact CB-CG 4.43Å; L558-F567 HydrophobicContact CD2-CB 4.47Å
559S94.3Very high91.6Very high14 Ų1447.6 Ų47.610%0.09825%0.249CC..  trans-80.7109.5168.1-165.50000108.5G543 W544G543-S559 WeakPolarHBondContact CA-OG 3.4Å; G543-S559 PolarHBondContact N-OG 3.22Å; W544-S559 WeakPolarHBondContact O-CB 3.3Å; W544-S559 PolarHBondContact O-OG 3.48Å
560E94.1Very high90.4Very high69 Ų6952.6 Ų52.632%0.32227%0.274SS..  trans-74.1144.5-178-64.7-170.4-169.200112.3R207 L558 S564 F567R207-E560 IonicContact CZ-OE2 3.97Å; R207-E560 IonicContact NH2-OE2 3.86Å; R207-E560 PolarHBondContact NH2-OE2 2.88Å; L558-E560 PolarHBondContact O-N 3.38Å; E560-S564 VanDerWaalsContact CA-OG 3.29Å; E560-S564 WeakPolarHBondContact CA-OG 3.4Å; E560-F567 HydrophobicContact CG-CB 4.1Å; E560-F567 VanDerWaalsContact OE1-CB 3.28Å; E560-F567 WeakPolarHBondContact OE1-CB 3.47Å; E560-F567 PolarHBondContact OE1-N 3.25Å
561H93.3Very high89.1Confident3 Ų360.9 Ų60.91%0.01431%0.31CS..  trans-152.9173.1171.366.978.5000110.3Y166 Y172 R207 W531 A563 S564Y166-H561 PolarHBondContact O-NE2 3.17Å; Y172-H561 AromaticContact CZ-CE1 3.92Å; Y172-H561 PolarHBondContact OH-CE1 3.23Å; Y172-H561 VanDerWaalsContact OH-CE1 3.28Å; R207-H561 PolarHBondContact NH1-O 3.06Å; W531-H561 AromaticContact CE2-CG 3.92Å; W531-H561 AromaticContact CE2-ND1 3.75Å; W531-H561 HydrophobicContact CZ2-CB 3.77Å; W531-H561 AromaticContact CZ2-CD2 3.75Å; W531-H561 AromaticContact CZ2-CG 3.5Å; W531-H561 AromaticContact CZ2-ND1 3.83Å; W531-H561 AromaticContact NE1-ND1 3.72Å; H561-A563 VanDerWaalsContact CE1-C 3.47Å; H561-A563 PolarHBondContact ND1-N 3.37Å; H561-A563 PolarHBondContact O-N 3.26Å; H561-S564 PolarHBondContact CE1-N 3.21Å; H561-S564 VanDerWaalsContact CE1-N 3.32Å; H561-S564 PolarHBondContact N-OG 3.31Å; H561-S564 PolarHBondContact ND1-N 3.46Å; H561-S564 PolarHBondContact O-N 3.45Å; H561-S564 PolarHBondContact O-OG 3.03Å
562C92.3Very high87.4Confident38 Ų3862.4 Ų62.426%0.25732%0.321SS..THydrogen-bonded Turntrans-52.8-28.6-16962.30000115.4Y175Y175-C562 HydrophobicContact CE2-CB 3.95Å; Y175-C562 WeakPolarHBondContact CE2-O 3.41Å; Y175-C562 PolarHBondContact OH-O 3.01Å
563A95.2Very high85.6Confident0 Ų060.5 Ų60.50%033%0.328CS..THydrogen-bonded Turntrans-106.85.217800000113.9G167 V168 L171 Y172 Y175 H561G167-A563 CarbonylContact C-O 3.49Å; G167-A563 VanDerWaalsContact CA-O 3.25Å; G167-A563 WeakPolarHBondContact CA-O 3.24Å; V168-A563 PolarHBondContact N-O 3Å; L171-A563 HydrophobicContact CB-CB 3.74Å; Y172-A563 HydrophobicContact CD1-CB 3.63Å; Y172-A563 HydrophobicContact CE1-CB 3.55Å; Y172-A563 HydrophobicContact CE2-CB 4.48Å; Y172-A563 HydrophobicContact CG-CB 4.12Å; Y175-A563 HydrophobicContact CD2-CB 4.06Å; Y175-A563 HydrophobicContact CE2-CB 3.97Å; H561-A563 VanDerWaalsContact CE1-C 3.47Å; H561-A563 PolarHBondContact ND1-N 3.37Å; H561-A563 PolarHBondContact O-N 3.26Å
564S95.7Very high83.6Confident1 Ų165.4 Ų65.41%0.00735%0.35CS..SBendtrans-80.5163.5176.377.80000112.5E560 H561E560-S564 VanDerWaalsContact CA-OG 3.29Å; E560-S564 WeakPolarHBondContact CA-OG 3.4Å; H561-S564 PolarHBondContact CE1-N 3.21Å; H561-S564 VanDerWaalsContact CE1-N 3.32Å; H561-S564 PolarHBondContact N-OG 3.31Å; H561-S564 PolarHBondContact ND1-N 3.46Å; H561-S564 PolarHBondContact O-N 3.45Å; H561-S564 PolarHBondContact O-OG 3.03Å
565N95.5Very high81.7Confident6 Ų670.2 Ų70.23%0.03238%0.377CS..PPolyproline II helixtrans-64.4165.5158.2-79.8-58000110.9E139 A140 C142 L558E139-N565 PolarHBondContact OE1-ND2 3.4Å; A140-N565 PolarHBondContact O-ND2 2.96Å; C142-N565 PolarHBondContact N-OD1 2.73Å; L558-N565 HydrophobicContact CD2-CB 4.3Å
566V91.1Very high80.3Confident54 Ų5476.1 Ų76.133%0.32741%0.411SS..PPolyproline II helixtrans-81.9131.8170.2-179.40000108.9A210 V568A210-V566 HydrophobicContact CB-CB 4.39Å; A210-V566 HydrophobicContact CB-CG2 3.82Å; V566-V568 PolarHBondContact O-N 3.11Å
567F87.3Confident78.8Confident60 Ų6077.8 Ų77.826%0.26343%0.429SS..PPolyproline II helixtrans-72.8118.1174.2177.5-113.5000109.5E556 L558 E560 P569E556-F567 VanDerWaalsContact O-CE2 3.28Å; E556-F567 WeakPolarHBondContact O-CE2 3.48Å; L558-F567 HydrophobicContact CB-CB 4.26Å; L558-F567 HydrophobicContact CB-CD2 3.91Å; L558-F567 HydrophobicContact CB-CG 4.43Å; L558-F567 HydrophobicContact CD2-CB 4.47Å; E560-F567 HydrophobicContact CG-CB 4.1Å; E560-F567 VanDerWaalsContact OE1-CB 3.28Å; E560-F567 WeakPolarHBondContact OE1-CB 3.47Å; E560-F567 PolarHBondContact OE1-N 3.25Å; F567-P569 HydrophobicContact CE1-CB 4.02Å; F567-P569 HydrophobicContact CE1-CG 4.45Å; F567-P569 HydrophobicContact CZ-CB 4.16Å
568V82.6Confident77Confident108 Ų10879.6 Ų79.666%0.65546%0.456SS*.  trans-114.5106.5175.4-176.70000107.8V566 M570V566-V568 PolarHBondContact O-N 3.11Å; V568-M570 PolarHBondContact O-N 3.46Å
569P75.8Confident75.1Confident83 Ų8390.8 Ų90.854%0.53950%0.498SS..  trans-65.2135.2-178.824.2-31.8000110.6F567 K571F567-P569 HydrophobicContact CE1-CB 4.02Å; F567-P569 HydrophobicContact CE1-CG 4.45Å; F567-P569 HydrophobicContact CZ-CB 4.16Å; P569-K571 PolarHBondContact O-N 3.37Å
570M70.3Confident73Confident128 Ų12895.6 Ų95.663%0.63153%0.529SS*.  trans-68.3119.6175.8-162.3-175.6-60.800109.1L145 V568 L572L145-M570 HydrophobicContact CD2-CB 4.1Å; L145-M570 HydrophobicContact CD2-CE 3.85Å; V568-M570 PolarHBondContact O-N 3.46Å; M570-L572 PolarHBondContact O-N 3.07Å
571K69.2Low70.9Confident202 Ų20297.1 Ų97.188%0.87855%0.553SS**  trans-74.194.5170.5-67.8-176.9-177.2177.30108.1P569 A573P569-K571 PolarHBondContact O-N 3.37Å; K571-A573 PolarHBondContact O-N 3.33Å; K571-A573 VanDerWaalsContact O-N 3.07Å
572L60.2Low68.9Low151 Ų151105.7 Ų105.779%0.79159%0.593SS**  trans-59.3113.4168-73.2164.5000108M570 K574M570-L572 PolarHBondContact O-N 3.07Å; L572-K574 PolarHBondContact O-N 2.98Å
573A58Low66.8Low94 Ų94109.3 Ų109.378%0.77762%0.617SS**PPolyproline II helixtrans-60122.3171.900000107.8K571K571-A573 PolarHBondContact O-N 3.33Å; K571-A573 VanDerWaalsContact O-N 3.07Å
574K49.8Very low64.4Low190 Ų190115.4 Ų115.483%0.82666%0.656SS**PPolyproline II helixtrans-55.4129.1171.5-78.4-179.4176.9178.40107.5L572 V576L572-K574 PolarHBondContact O-N 2.98Å; K574-V576 PolarHBondContact O-N 3.44Å
575P50.4Low61.8Low123 Ų123120.1 Ų120.180%0.79970%0.695SS**PPolyproline II helixtrans-5512217616-24.7000108.3
576V59.2Low59.1Low131 Ų131124.3 Ų124.379%0.79473%0.73SS**PPolyproline II helixtrans-59.2124.6173.3178.20000106.2K574 A578K574-V576 PolarHBondContact O-N 3.44Å; V576-A578 PolarHBondContact O-N 2.99Å
577P54.3Low56.7Low115 Ų115129.6 Ų129.675%0.74776%0.756SS**PPolyproline II helixtrans-56.9129.5177.312-17.4000108.8R579P577-R579 PolarHBondContact O-N 2.93Å; P577-R579 VanDerWaalsContact O-N 3.16Å
578A54.8Low54.4Low97 Ų97135.9 Ų135.980%0.80279%0.786SS**PPolyproline II helixtrans-50.6124.1179.600000109.4V576V576-A578 PolarHBondContact O-N 2.99Å
579R54.3Low52Low239 Ų239137.2 Ų137.290%0.90280%0.795SS**PPolyproline II helixtrans-56.1130.9172.4-122.2178.8-178.4173.9-1.2107.6P577 A581P577-R579 PolarHBondContact O-N 2.93Å; P577-R579 VanDerWaalsContact O-N 3.16Å; R579-A581 PolarHBondContact O-N 3.4Å
580P50.2Low50.2Low116 Ų116141.4 Ų141.475%0.75381%0.812SS**PPolyproline II helixtrans-58.7131172.422.6-29.9000108.6E582P580-E582 PolarHBondContact O-N 3.14Å
581A49.9Very low48.3Very low100 Ų100142.3 Ų142.383%0.82683%0.825SS**PPolyproline II helixtrans-55.9122.6-179.100000110.3R579R579-A581 PolarHBondContact O-N 3.4Å
582E50.7Low46.6Very low183 Ų183136.2 Ų136.286%0.85582%0.819SS**PPolyproline II helixtrans-67137.1168.5-76.1-176.2165.100109.3P580P580-E582 PolarHBondContact O-N 3.14Å
583P48.8Very low45.3Very low115 Ų115133.9 Ų133.975%0.74782%0.822SS**PPolyproline II helixtrans-68149.3177.427.7-32000110.7A585P583-A585 PolarHBondContact O-N 3.04Å
584P44.6Very low44Very low128 Ų128134.8 Ų134.883%0.83182%0.822SS**PPolyproline II helixtrans-64129.4-176.226-33.2000110.8A586P584-A586 PolarHBondContact O-N 3.32Å
585A40.8Very low43.3Very low100 Ų100130.4 Ų130.483%0.82682%0.822SS**PPolyproline II helixtrans-61.3126.1177.300000110.9P583P583-A585 PolarHBondContact O-N 3.04Å
586A39.1Very low42.3Very low93 Ų93130.6 Ų130.677%0.76983%0.826SS**PPolyproline II helixtrans-68.1132.9174.500000110.9P584 Q588P584-A586 PolarHBondContact O-N 3.32Å; A586-Q588 PolarHBondContact O-N 3.01Å
587L41.5Very low41Very low166 Ų166129.2 Ų129.287%0.86983%0.828SS**PPolyproline II helixtrans-53.1126.8168.3-90.386000110.4
588Q37.7Very low39.9Very low192 Ų192128.1 Ų128.190%0.89783%0.828SS**  trans-116.6121.5157.2-75.6-170.72.500110A586A586-Q588 PolarHBondContact O-N 3.01Å
589T33.1Very low38.8Very low136 Ų136129.6 Ų129.683%0.83483%0.828SS**  trans-71.4142.6-179.639.20000113
590L36.4Very low37.9Very low170 Ų170125.1 Ų125.189%0.8983%0.827SS**  trans-62.9144.1174.8-73.3150.9000114.8
591T31.8Very low36.9Very low148 Ų148125.8 Ų125.891%0.90883%0.829SS**  trans-153.8137.6141.455.20000107.5
592G32.1Very low36Very low73 Ų73125.6 Ų125.675%0.75383%0.827SS**  cis178.5155.1-8.900000110.4
593A33Very low35.1Very low103 Ų103121.4 Ų121.485%0.85182%0.824SS**  trans67.5143.5154.600000120.7
594S32.2Very low35Very low113 Ų113121.7 Ų121.779%0.7983%0.826SS**  cis-167.8150.1-5.946.60000112.7
595A34.2Very low34.8Very low98 Ų98120 Ų12081%0.8182%0.823SS**  trans50.9121.6144.900000123.4
596S29.3Very low34.6Very low127 Ų127121.5 Ų121.589%0.88882%0.824SS**  -171148.199.958.30000111.4
597A33Very low34.3Very low102 Ų102122.1 Ų122.184%0.84382%0.822SS**  trans-104.4141-172.600000111.4
598A30.9Very low33.9Very low91 Ų91119.2 Ų119.275%0.75282%0.816SS**  trans-168.1110.7149.500000112.2
599T30.8Very low33.7Very low129 Ų129115.1 Ų115.179%0.79181%0.809SS**  trans48.5111.6130.6-25.50000120.6
600V35.4Very low33.7Very low144 Ų144114.6 Ų114.687%0.87381%0.806SS**  trans-79.7123.6163.3176.60000109.4
601T29.9Very low33.4Very low131 Ų131114.1 Ų114.180%0.80480%0.804SS**  trans-132.7140.5158.937.10000109.3
602A31.2Very low33.4Very low96 Ų96112.1 Ų112.179%0.79380%0.796SS**  trans-93.2172.6-16800000113.4
603A31.4Very low33.4Very low94 Ų94113.5 Ų113.578%0.77780%0.8SS**  trans97.8162.2162.600000116.6
604P47Very low33.4Very low122 Ų122116.2 Ų116.279%0.79280%0.8SS**  cis-135.5-177.3-48.235.4-18.6000112.6
605A39.8Very low33.5Very low93 Ų93117.9 Ų117.977%0.76981%0.806SS**  trans-57.2168.3169.600000114
606P37.4Very low33.5Very low131 Ų131120.4 Ų120.485%0.85181%0.805SS**  trans-133.3144.5141.134.3-20.1000114.1
607S32.7Very low33.6Very low105 Ų105123 Ų12373%0.73481%0.806SS**  trans-99.1143.2167.251.10000111.1
608S33.5Very low33.9Very low106 Ų106122.5 Ų122.574%0.74180%0.802SS**  trans49.9125.1144.165.60000121.4
609S31.9Very low34.7Very low105 Ų105122.8 Ų122.873%0.73480%0.803SS**  173.7129.4103.2450000113.2
610T33.9Very low35.2Very low126 Ų126126.3 Ų126.377%0.77383%0.834SS**  trans37.8123.6140.360.70000122
611D29.5Very low35.2Very low159 Ų159125.5 Ų125.585%0.8583%0.832SS**  -166.5152.6107.1-118.3-18.1000113.7
612S32.1Very low35.4Very low107 Ų107125.2 Ų125.275%0.74883%0.833SS**  trans-81.9149.4-172.552.80000115.7
613A31.6Very low35.7Very low101 Ų101126.8 Ų126.884%0.83584%0.835SS**  trans-167.5130.613800000112.3
614D32.8Very low35.9Very low160 Ų160128.7 Ų128.786%0.85684%0.839SS**  trans-57.5145.9172.7-70.1-59.8000114.9
615V35Very low35.2Very low149 Ų149129.1 Ų129.190%0.90384%0.842SS**  trans-148.7121.4132179.90000110
616N33.8Very low34.9Very low150 Ų150131.5 Ų131.580%0.80285%0.847SS**  trans-73.3143.8168.5-117.7-22.8000111.9
617M32Very low34.7Very low183 Ų183131.6 Ų131.690%0.90185%0.846SS**  -179.2122122.3-102.2-161.3-154.700114.6
618A40.3Very low34.9Very low91 Ų91133.6 Ų133.675%0.75286%0.855SS**  trans51.5109.4140.600000119.8
619A46Very low35Very low96 Ų96135.9 Ų135.979%0.79387%0.865SS**  98.110057.100000112.6
620S41.3Very low35.3Very low204 Ų204138.7 Ų138.7100%1.42788%0.876SS**  trans-157.20151.5-69.90000107.9

Retrieved 620 of 620 residues in 1759.9 ms (Link to these results)

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