A0A087Y630_POEFO Loading...

ATP-dependent 6-phosphofructokinase

Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis.

AlphaFold DB , UniProt , Accession A0A087Y630, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 780 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
1M30.1Very low44.7Very low246 Ų246125.7 Ų125.7100%1.21270%0.704SS**  097.40-79.6173.1169.900108.1
2S27.3Very low47.9Very low124 Ų124118.3 Ų118.387%0.86766%0.664SS**  trans-155.854.6164.51730000105.8
3T31.9Very low50.9Low119 Ų119119.5 Ų119.573%0.7366%0.658SS**  trans-87.3110.9159.4390000104.9
4D29.6Very low53.5Low146 Ų146112.5 Ų112.578%0.78162%0.619SS**  trans-179.3136.3135.1-93.1-19.8000114.1
5L31.1Very low55.8Low151 Ų151105 Ų10579%0.79158%0.577SS**  trans78.358.1146.9-64156.7000119.8
6H34.7Very low58Low190 Ų190104.6 Ų104.688%0.8858%0.579SS**  trans-9199.2134.9-83.6-62.7000107.5T8H6-T8 PolarHBondContact O-N 3.06Å
7A37.2Very low59.8Low84 Ų84103.4 Ų103.469%0.69460%0.595SS**  trans-52.4118.5166.700000107.5M9A7-M9 VanDerWaalsContact C-N 3.28Å; A7-M9 PolarHBondContact O-N 2.75Å
8T50.8Low61.6Low136 Ų136102.3 Ų102.383%0.83458%0.58SS**  trans-58.494.117544.20000107.9H6 D10H6-T8 PolarHBondContact O-N 3.06Å; T8-D10 PolarHBondContact O-N 3.34Å
9M64.3Low63.5Low122 Ų12297.5 Ų97.560%0.60155%0.553SS**  trans-57.3130.9174.2-82.3-177.365.200107.6A7 P11 M14A7-M9 VanDerWaalsContact C-N 3.28Å; A7-M9 PolarHBondContact O-N 2.75Å; M9-P11 WeakPolarHBondContact O-CD 3.18Å; M9-P11 VanDerWaalsContact O-N 3.13Å; M9-M14 HydrophobicContact CB-CG 4.47Å; M9-M14 HydrophobicContact CE-CG 4.34Å
10D77.8Confident65.2Low55 Ų5592.6 Ų92.629%0.29453%0.525SS..  trans-57.5115174.1-178.9-6.6000109.1T8 T12 K13 M14T8-D10 PolarHBondContact O-N 3.34Å; D10-T12 PolarHBondContact O-N 2.68Å; D10-T12 WeakPolarHBondContact OD1-CB 3.17Å; D10-T12 PolarHBondContact OD1-N 2.69Å; D10-T12 VanDerWaalsContact OD1-N 3.13Å; D10-T12 PolarHBondContact OD1-OG1 3.38Å; D10-T12 PolarHBondContact OD2-OG1 2.87Å; D10-T12 VanDerWaalsContact OD2-OG1 3.09Å; D10-K13 HydrophobicContact CB-CB 4.34Å; D10-K13 HydrophobicContact CB-CD 4.31Å; D10-K13 HydrophobicContact CB-CG 4.31Å; D10-K13 PolarHBondContact O-N 3.09Å; D10-K13 WeakPolarHBondContact OD2-CE 3.45Å; D10-K13 IonicContact OD2-NZ 3.97Å; D10-M14 PolarHBondContact O-N 3.13Å
11P76.8Confident66.8Low10 Ų1088.2 Ų88.27%0.06550%0.5CS..G310 helixtrans-56.5-28.5-176.9-27.136000113M9 K13 M14 Y45 T46 L760 T762M9-P11 WeakPolarHBondContact O-CD 3.18Å; M9-P11 VanDerWaalsContact O-N 3.13Å; P11-K13 PolarHBondContact O-N 3.17Å; P11-M14 HydrophobicContact CB-SD 4.31Å; P11-Y45 HydrophobicContact CB-CE1 4.49Å; P11-T46 WeakPolarHBondContact O-CA 3.45Å; P11-T46 WeakPolarHBondContact O-CG2 3.47Å; P11-L760 HydrophobicContact CB-CB 4.09Å; P11-L760 HydrophobicContact CG-CB 4.43Å; P11-T762 HydrophobicContact CB-CG2 4.41Å; P11-T762 HydrophobicContact CG-CG2 3.96Å
12T83.4Confident70Confident36 Ų3676.5 Ų76.522%0.22144%0.443CS..G310 helixtrans-70.3-11.9177.669.60000113.7D10 Y45 T46 G47D10-T12 PolarHBondContact O-N 2.68Å; D10-T12 WeakPolarHBondContact OD1-CB 3.17Å; D10-T12 PolarHBondContact OD1-N 2.69Å; D10-T12 VanDerWaalsContact OD1-N 3.13Å; D10-T12 PolarHBondContact OD1-OG1 3.38Å; D10-T12 PolarHBondContact OD2-OG1 2.87Å; D10-T12 VanDerWaalsContact OD2-OG1 3.09Å; T12-Y45 WeakPolarHBondContact CA-O 3.38Å; T12-Y45 HydrophobicContact CG2-CE1 4.37Å; T12-Y45 HydrophobicContact CG2-CE2 3.85Å; T12-T46 CarbonylContact C-O 3.56Å; T12-T46 CarbonylContact O-C 3.57Å; T12-G47 PolarHBondContact O-N 3.07Å
13K86.9Confident73.4Confident134 Ų13470.6 Ų70.658%0.58340%0.401SS*.G310 helixtrans-118.1-1.7-176.8-61.5-177.1-174.7173.80113.9D10 P11 G15 V16 T46D10-K13 HydrophobicContact CB-CB 4.34Å; D10-K13 HydrophobicContact CB-CD 4.31Å; D10-K13 HydrophobicContact CB-CG 4.31Å; D10-K13 PolarHBondContact O-N 3.09Å; D10-K13 WeakPolarHBondContact OD2-CE 3.45Å; D10-K13 IonicContact OD2-NZ 3.97Å; P11-K13 PolarHBondContact O-N 3.17Å; K13-G15 PolarHBondContact O-N 3.16Å; K13-G15 VanDerWaalsContact O-N 3.16Å; K13-V16 HydrophobicContact CB-CG2 4.15Å; K13-V16 WeakPolarHBondContact O-CG2 3.39Å; K13-V16 PolarHBondContact O-N 2.72Å; K13-V16 VanDerWaalsContact O-N 3.17Å; K13-T46 CarbonylContact C-O 3.58Å
14M86.9Confident76.5Confident22 Ų2264.9 Ų64.911%0.10837%0.367CS..THydrogen-bonded Turntrans-58.4-29.8-178.2-72.4177.270.600113.7M9 D10 P11 T46 M324 L327 E328M9-M14 HydrophobicContact CB-CG 4.47Å; M9-M14 HydrophobicContact CE-CG 4.34Å; D10-M14 PolarHBondContact O-N 3.13Å; P11-M14 HydrophobicContact CB-SD 4.31Å; M14-T46 PolarHBondContact N-O 3.27Å; M14-M324 HydrophobicContact SD-SD 4.49Å; M14-L327 HydrophobicContact CB-CD1 3.99Å; M14-L327 HydrophobicContact CE-CB 4.23Å; M14-E328 HydrophobicContact CE-CG 3.98Å
15G87.9Confident79.6Confident0 Ų058.3 Ų58.30%033%0.332CS..THydrogen-bonded Turntrans-94-3-178.200000115.3K13 G17 R18 T46 A48K13-G15 PolarHBondContact O-N 3.16Å; K13-G15 VanDerWaalsContact O-N 3.16Å; G15-G17 PolarHBondContact O-N 3.2Å; G15-R18 WeakPolarHBondContact O-CB 3.39Å; G15-R18 PolarHBondContact O-N 2.93Å; G15-T46 VanDerWaalsContact CA-O 3.24Å; G15-T46 WeakPolarHBondContact CA-O 3.37Å; G15-T46 PolarHBondContact N-O 3.03Å; G15-A48 VanDerWaalsContact O-CA 3.23Å; G15-A48 WeakPolarHBondContact O-CA 3.47Å; G15-A48 PolarHBondContact O-N 2.89Å
16V91Very high82.5Confident99 Ų9952.9 Ų52.960%0.631%0.313SS*.THydrogen-bonded Turntrans-59.3125.4-176.1174.30000110.5K13 R18K13-V16 HydrophobicContact CB-CG2 4.15Å; K13-V16 WeakPolarHBondContact O-CG2 3.39Å; K13-V16 PolarHBondContact O-N 2.72Å; K13-V16 VanDerWaalsContact O-N 3.17Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 3.46Å
17G88.6Confident85.2Confident83 Ų8345.7 Ų45.786%0.85629%0.29SS*.THydrogen-bonded Turntrans80.31.2-177.300000114.8G15G15-G17 PolarHBondContact O-N 3.2Å
18R92.8Very high87.8Confident85 Ų8544.5 Ų44.532%0.32127%0.272SS..  trans-104.2153.6176-56.3-170.6-176.2-166.611.1111.4G15 V16 A48 K49 L327G15-R18 WeakPolarHBondContact O-CB 3.39Å; G15-R18 PolarHBondContact O-N 2.93Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 3.46Å; R18-A48 WeakPolarHBondContact O-CA 3.29Å; R18-K49 PolarHBondContact O-N 2.97Å; R18-L327 HydrophobicContact CB-CD2 4.5Å; R18-L327 PolarHBondContact NH1-O 3.48Å; R18-L327 PolarHBondContact NH2-O 3.48Å
19S96.8Very high89.9Confident10 Ų1038 Ų387%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-125.6137.5174.9-57.40000110.7K49 G111 N114S19-K49 CarbonylContact C-O 3.37Å; S19-K49 WeakPolarHBondContact CA-O 3.29Å; S19-G111 VanDerWaalsContact CB-O 3.29Å; S19-G111 WeakPolarHBondContact CB-O 3.35Å; S19-G111 PolarHBondContact OG-O 3.3Å; S19-N114 WeakPolarHBondContact O-CB 3.38Å; S19-N114 PolarHBondContact O-N 3.33Å; S19-N114 PolarHBondContact O-ND2 2.64Å
20I98.1Very high91.5Very high0 Ų032.2 Ų32.20%020%0.203CC..EExtended strand (participates in β ladder)trans-119.9129.2179.8-58.4171.5000108.6T39 A48 K49 V50 F51 N114 V323 L326 L327I20-T39 HydrophobicContact CG2-CG2 4.37Å; I20-A48 HydrophobicContact CD1-CB 4Å; I20-A48 HydrophobicContact CG1-CB 4.31Å; I20-K49 PolarHBondContact N-O 3.33Å; I20-V50 CarbonylContact O-C 3.49Å; I20-V50 VanDerWaalsContact O-CA 3.26Å; I20-V50 WeakPolarHBondContact O-CA 3.34Å; I20-F51 PolarHBondContact O-N 3.4Å; I20-N114 CarbonylContact C-O 3.04Å; I20-N114 WeakPolarHBondContact CA-O 3.48Å; I20-N114 HydrophobicContact CB-CB 4.47Å; I20-N114 HydrophobicContact CG1-CB 3.98Å; I20-V323 HydrophobicContact CD1-CG1 4.05Å; I20-L326 HydrophobicContact CG2-CD1 3.88Å; I20-L327 HydrophobicContact CD1-CD2 4.39Å
21A98.3Very high92.3Very high0 Ų029.7 Ų29.70%019%0.19CC..EExtended strand (participates in β ladder)trans-102.8138.3165.900000110.3F51 V53 L107 I112 N114 L115 C116A21-F51 CarbonylContact C-O 3.6Å; A21-F51 WeakPolarHBondContact CA-O 3.15Å; A21-V53 HydrophobicContact CB-CG2 3.9Å; A21-L107 HydrophobicContact CB-CD2 4.46Å; A21-I112 HydrophobicContact CB-CD1 4.32Å; A21-I112 HydrophobicContact CB-CG2 3.69Å; A21-N114 PolarHBondContact N-O 2.99Å; A21-L115 HydrophobicContact CB-CD1 3.78Å; A21-C116 PolarHBondContact O-N 3.18Å
22V98.4Very high93.3Very high0 Ų029.3 Ų29.30%019%0.187CC..EExtended strand (participates in β ladder)trans-117.9133.1171.962.50000110.3V36 T39 V40 F51 F52 V53 C116 I118V22-V36 HydrophobicContact CG1-CG1 4.27Å; V22-V36 HydrophobicContact CG2-CG2 4.19Å; V22-T39 HydrophobicContact CB-CG2 4.11Å; V22-T39 HydrophobicContact CG2-CG2 4.24Å; V22-V40 HydrophobicContact CG1-CG2 4.22Å; V22-F51 PolarHBondContact N-O 2.96Å; V22-F52 HydrophobicContact CG1-CD1 4.03Å; V22-V53 PolarHBondContact O-N 3.45Å; V22-C116 WeakPolarHBondContact CA-O 3.29Å; V22-C116 HydrophobicContact CB-CB 4.27Å; V22-C116 HydrophobicContact CG2-CB 4.25Å; V22-I118 HydrophobicContact CG2-CD1 3.86Å
23L97.7Very high94Very high0 Ų027.6 Ų27.60%018%0.177CC..EExtended strand (participates in β ladder)trans-136.7149.6178.578.579.8000111.2V53 Y57 L115 C116 V117 I118L23-V53 HydrophobicContact CB-CB 3.7Å; L23-V53 HydrophobicContact CB-CG1 4.29Å; L23-V53 HydrophobicContact CB-CG2 4.29Å; L23-Y57 HydrophobicContact CD2-CD1 4.39Å; L23-Y57 HydrophobicContact CD2-CE1 4.31Å; L23-L115 HydrophobicContact CD2-CD1 4.04Å; L23-C116 PolarHBondContact N-O 3.12Å; L23-V117 HydrophobicContact CD1-CG1 3.89Å; L23-V117 HydrophobicContact CD1-CG2 4.41Å; L23-V117 HydrophobicContact CD2-CG2 4.42Å; L23-V117 HydrophobicContact CG-CG2 4.22Å; L23-I118 PolarHBondContact O-N 3Å
24T97.4Very high94.5Very high0 Ų021.2 Ų21.20%015%0.149CC..EExtended strand (participates in β ladder)trans-108.5133.5167.647.50000109.6M32 V36 G56 T84 I86 G87 I118T24-M32 HydrophobicContact CG2-CB 4.19Å; T24-M32 HydrophobicContact CG2-SD 4.13Å; T24-V36 HydrophobicContact CG2-CG2 3.95Å; T24-G56 WeakPolarHBondContact O-CA 3.42Å; T24-T84 WeakPolarHBondContact CG2-OG1 3.47Å; T24-T84 WeakPolarHBondContact OG1-CB 3.41Å; T24-T84 WeakPolarHBondContact OG1-CG2 3.24Å; T24-T84 PolarHBondContact OG1-OG1 3.33Å; T24-I86 HydrophobicContact CG2-CD1 4.18Å; T24-I86 HydrophobicContact CG2-CG1 4.25Å; T24-I86 VanDerWaalsContact OG1-CG1 3.25Å; T24-I86 WeakPolarHBondContact OG1-CG1 3.32Å; T24-G87 PolarHBondContact OG1-O 3.11Å; T24-I118 CarbonylContact C-O 3.56Å; T24-I118 VanDerWaalsContact CA-O 3.27Å; T24-I118 WeakPolarHBondContact CA-O 3.37Å; T24-I118 HydrophobicContact CG2-CB 3.99Å; T24-I118 HydrophobicContact CG2-CD1 4.31Å; T24-I118 HydrophobicContact CG2-CG2 4.27Å
25S94.9Very high95Very high8 Ų820.1 Ų20.16%0.05614%0.144CC..EExtended strand (participates in β ladder)trans-141.3150-178.2179.40000111.3Y57 S88 I118 G119 S123S25-Y57 WeakPolarHBondContact OG-CD2 3.23Å; S25-S88 WeakPolarHBondContact CA-OG 3.4Å; S25-I118 PolarHBondContact N-O 2.94Å; S25-G119 WeakPolarHBondContact O-CA 3.49Å; S25-S123 VanDerWaalsContact C-OG 3.29Å; S25-S123 VanDerWaalsContact CB-OG 3.3Å; S25-S123 WeakPolarHBondContact CB-OG 3.37Å; S25-S123 PolarHBondContact O-OG 2.98Å; S25-S123 PolarHBondContact OG-OG 3.36Å
26G91.4Very high95.4Very high37 Ų3720.1 Ų20.138%0.38114%0.144SC..SBendtrans89.5-161.7-176.200000112.2S88 S123G26-S88 PolarHBondContact N-OG 3.45Å; G26-S88 VanDerWaalsContact N-OG 3.08Å; G26-S88 PolarHBondContact O-OG 2.88Å; G26-S123 PolarHBondContact N-OG 3.3Å
27G91.1Very high95.8Very high39 Ų3915.9 Ų15.940%0.40212%0.117SC..SBendtrans-67.9136.6174.900000110.4M32G27-M32 WeakPolarHBondContact O-CE 3.42Å
28D93.1Very high96.2Very high59 Ų5912 Ų1232%0.3168%0.076SC..  trans-67.6154.6177.768.3-47.6000111.7G83 T84 R303D28-G83 VanDerWaalsContact OD2-CA 3.29Å; D28-G83 WeakPolarHBondContact OD2-CA 3.5Å; D28-T84 HydrophobicContact CB-CG2 4.38Å; D28-R303 PolarHBondContact O-NH1 3.23Å
29A95.1Very high96.4Very high0 Ų07.9 Ų7.90%06%0.061CC..  trans-145.3141.6177.400000109.5G31 M32 I167 I178A29-G31 PolarHBondContact O-N 3.01Å; A29-M32 HydrophobicContact CB-CE 4.03Å; A29-M32 HydrophobicContact CB-CG 4.46Å; A29-M32 VanDerWaalsContact O-CG 3.32Å; A29-M32 WeakPolarHBondContact O-CG 3.46Å; A29-M32 PolarHBondContact O-N 2.99Å; A29-I167 HydrophobicContact CB-CG2 4.05Å; A29-I178 VanDerWaalsContact CB-O 3.31Å; A29-I178 WeakPolarHBondContact CB-O 3.23Å
30Q96.3Very high96.4Very high0 Ų07.4 Ų7.40%06%0.058CC..THydrogen-bonded Turntrans-64.6126.8-178.3-5090.1-3900109.4G179 Q302 R303 G304 G305 P307Q30-G179 WeakPolarHBondContact O-CA 3.45Å; Q30-G179 PolarHBondContact O-N 2.88Å; Q30-Q302 PolarHBondContact NE2-O 3.32Å; Q30-R303 WeakPolarHBondContact CG-O 3.5Å; Q30-R303 PolarHBondContact NE2-O 3.25Å; Q30-R303 PolarHBondContact OE1-O 3.29Å; Q30-G304 PolarHBondContact NE2-O 3.45Å; Q30-G305 WeakPolarHBondContact CG-O 3.19Å; Q30-P307 HydrophobicContact CB-CB 3.87Å
31G95.8Very high96.4Very high1 Ų18.5 Ų8.51%0.016%0.062CC..THydrogen-bonded Turntrans108.6-12.1-178.100000114.2A29 N33 A34 A35 I178A29-G31 PolarHBondContact O-N 3.01Å; G31-N33 PolarHBondContact O-N 2.61Å; G31-A34 WeakPolarHBondContact O-CA 3.36Å; G31-A34 VanDerWaalsContact O-CB 3.31Å; G31-A34 WeakPolarHBondContact O-CB 3.5Å; G31-A34 PolarHBondContact O-N 2.97Å; G31-A35 PolarHBondContact O-N 3.4Å; G31-I178 VanDerWaalsContact C-CG2 3.41Å
32M97.4Very high96.2Very high2 Ų28.6 Ų8.61%0.016%0.062CC..Hα-helixtrans-53.8-40170.4-74-177.2170.800111.7T24 G27 A29 A34 A35 V36 I118 G165T24-M32 HydrophobicContact CG2-CB 4.19Å; T24-M32 HydrophobicContact CG2-SD 4.13Å; G27-M32 WeakPolarHBondContact O-CE 3.42Å; A29-M32 HydrophobicContact CB-CE 4.03Å; A29-M32 HydrophobicContact CB-CG 4.46Å; A29-M32 VanDerWaalsContact O-CG 3.32Å; A29-M32 WeakPolarHBondContact O-CG 3.46Å; A29-M32 PolarHBondContact O-N 2.99Å; M32-A34 VanDerWaalsContact C-N 3.25Å; M32-A34 PolarHBondContact O-N 3.18Å; M32-A35 WeakPolarHBondContact O-CB 3.49Å; M32-A35 PolarHBondContact O-N 3.24Å; M32-A35 VanDerWaalsContact O-N 3.13Å; M32-V36 WeakPolarHBondContact O-CG2 3.44Å; M32-V36 PolarHBondContact O-N 3.04Å; M32-I118 HydrophobicContact CB-CG2 4.31Å; M32-I118 HydrophobicContact CG-CG2 3.83Å; M32-I118 HydrophobicContact SD-CG2 4.49Å; M32-G165 VanDerWaalsContact CE-O 3.3Å; M32-G165 WeakPolarHBondContact CE-O 3.25Å
33N97.7Very high96.1Very high0 Ų08.6 Ų8.60%06%0.062CC..Hα-helixtrans-60.2-31.6175.3-68.7-34.9000113.7G31 R37 M78 L81 G82 G83 T84 V85G31-N33 PolarHBondContact O-N 2.61Å; N33-R37 VanDerWaalsContact O-CB 3.22Å; N33-R37 WeakPolarHBondContact O-CB 3.45Å; N33-R37 PolarHBondContact O-N 2.76Å; N33-M78 HydrophobicContact CB-CB 4.22Å; N33-M78 VanDerWaalsContact CB-O 3.27Å; N33-M78 WeakPolarHBondContact CB-O 3.47Å; N33-L81 PolarHBondContact ND2-O 3.3Å; N33-G82 PolarHBondContact ND2-O 3.36Å; N33-G83 PolarHBondContact ND2-O 3.41Å; N33-G83 VanDerWaalsContact ND2-O 3.08Å; N33-T84 WeakPolarHBondContact OD1-CA 3.41Å; N33-V85 WeakPolarHBondContact OD1-CG1 3.35Å; N33-V85 VanDerWaalsContact OD1-CG2 3.26Å; N33-V85 WeakPolarHBondContact OD1-CG2 3.19Å; N33-V85 PolarHBondContact OD1-N 3.21Å
34A97.1Very high96Very high0 Ų011.2 Ų11.20%08%0.076CC..Hα-helixtrans-70.4-40.1175.600000111.5G31 M32 A38 L79 R312G31-A34 WeakPolarHBondContact O-CA 3.36Å; G31-A34 VanDerWaalsContact O-CB 3.31Å; G31-A34 WeakPolarHBondContact O-CB 3.5Å; G31-A34 PolarHBondContact O-N 2.97Å; M32-A34 VanDerWaalsContact C-N 3.25Å; M32-A34 PolarHBondContact O-N 3.18Å; A34-A38 WeakPolarHBondContact O-CB 3.31Å; A34-A38 PolarHBondContact O-N 2.89Å; A34-L79 HydrophobicContact CB-CD2 3.65Å; A34-R312 WeakPolarHBondContact CB-O 3.28Å
35A97.4Very high95.9Very high0 Ų012.8 Ų12.80%08%0.082CC..Hα-helixtrans-63.8-50.517300000112G31 M32 R37 A38 T39 I118 M163 I178 G315G31-A35 PolarHBondContact O-N 3.4Å; M32-A35 WeakPolarHBondContact O-CB 3.49Å; M32-A35 PolarHBondContact O-N 3.24Å; M32-A35 VanDerWaalsContact O-N 3.13Å; A35-R37 VanDerWaalsContact C-N 3.32Å; A35-R37 PolarHBondContact O-N 3.47Å; A35-A38 PolarHBondContact O-N 3.21Å; A35-A38 VanDerWaalsContact O-N 3.16Å; A35-T39 PolarHBondContact O-N 3.34Å; A35-T39 PolarHBondContact O-OG1 3.08Å; A35-T39 VanDerWaalsContact O-OG1 3.09Å; A35-I118 HydrophobicContact CB-CD1 3.76Å; A35-I118 HydrophobicContact CB-CG1 4.37Å; A35-M163 HydrophobicContact CB-CE 4.12Å; A35-M163 HydrophobicContact CB-SD 3.85Å; A35-I178 HydrophobicContact CB-CD1 4.08Å; A35-G315 VanDerWaalsContact CA-O 3.28Å; A35-G315 WeakPolarHBondContact CA-O 3.44Å
36V98.2Very high95.8Very high0 Ų012.4 Ų12.40%08%0.08CC..Hα-helixtrans-54.2-48.7175.1172.50000110.9V22 T24 M32 A38 T39 V40 F52 I86 I118V22-V36 HydrophobicContact CG1-CG1 4.27Å; V22-V36 HydrophobicContact CG2-CG2 4.19Å; T24-V36 HydrophobicContact CG2-CG2 3.95Å; M32-V36 WeakPolarHBondContact O-CG2 3.44Å; M32-V36 PolarHBondContact O-N 3.04Å; V36-A38 VanDerWaalsContact C-N 3.35Å; V36-A38 PolarHBondContact O-N 3.45Å; V36-T39 PolarHBondContact O-N 3.49Å; V36-V40 WeakPolarHBondContact O-CG2 3.12Å; V36-V40 PolarHBondContact O-N 3.45Å; V36-F52 HydrophobicContact CG1-CD1 4.18Å; V36-F52 HydrophobicContact CG1-CE1 3.73Å; V36-I86 HydrophobicContact CG1-CD1 4.47Å; V36-I86 HydrophobicContact CG2-CD1 4.03Å; V36-I118 HydrophobicContact CB-CD1 4.46Å; V36-I118 HydrophobicContact CG2-CD1 3.53Å
37R97.8Very high95.9Very high10 Ų1012.4 Ų12.44%0.0388%0.079CC..Hα-helixtrans-58.5-45.3178.9173.6-177.8169.2-84.32112.1N33 A35 R41 V75 M78 L753N33-R37 VanDerWaalsContact O-CB 3.22Å; N33-R37 WeakPolarHBondContact O-CB 3.45Å; N33-R37 PolarHBondContact O-N 2.76Å; A35-R37 VanDerWaalsContact C-N 3.32Å; A35-R37 PolarHBondContact O-N 3.47Å; R37-R41 WeakPolarHBondContact O-CB 3.41Å; R37-R41 WeakPolarHBondContact O-CG 3.31Å; R37-R41 PolarHBondContact O-N 3.41Å; R37-V75 HydrophobicContact CB-CB 4.1Å; R37-V75 HydrophobicContact CB-CG2 4.48Å; R37-V75 HydrophobicContact CG-CB 3.99Å; R37-V75 HydrophobicContact CG-CG2 3.93Å; R37-M78 HydrophobicContact CB-CB 4.46Å; R37-L753 PolarHBondContact NH2-O 2.99Å
38A97.1Very high96.1Very high0 Ų010.8 Ų10.80%06%0.062CC..Hα-helixtrans-66.8-44.9-179.600000111.7A34 A35 V36 V40 R41 V42 S316 V320 L753A34-A38 WeakPolarHBondContact O-CB 3.31Å; A34-A38 PolarHBondContact O-N 2.89Å; A35-A38 PolarHBondContact O-N 3.21Å; A35-A38 VanDerWaalsContact O-N 3.16Å; V36-A38 VanDerWaalsContact C-N 3.35Å; V36-A38 PolarHBondContact O-N 3.45Å; A38-V40 VanDerWaalsContact C-N 3.3Å; A38-V40 PolarHBondContact O-N 2.59Å; A38-R41 PolarHBondContact O-N 3.05Å; A38-V42 WeakPolarHBondContact O-CB 3.36Å; A38-V42 WeakPolarHBondContact O-CG2 3.36Å; A38-V42 PolarHBondContact O-N 2.78Å; A38-S316 VanDerWaalsContact CB-O 3.22Å; A38-S316 WeakPolarHBondContact CB-O 3.25Å; A38-V320 HydrophobicContact CB-CG2 4.4Å; A38-L753 HydrophobicContact CB-CD2 4.2Å
39T97.4Very high96.4Very high0 Ų014.7 Ų14.70%08%0.076CC..Hα-helixtrans-56.3-44.8175.4-580000111.6I20 V22 A35 V36 G43 C116 V323I20-T39 HydrophobicContact CG2-CG2 4.37Å; V22-T39 HydrophobicContact CB-CG2 4.11Å; V22-T39 HydrophobicContact CG2-CG2 4.24Å; A35-T39 PolarHBondContact O-N 3.34Å; A35-T39 PolarHBondContact O-OG1 3.08Å; A35-T39 VanDerWaalsContact O-OG1 3.09Å; V36-T39 PolarHBondContact O-N 3.49Å; T39-G43 PolarHBondContact O-N 3.1Å; T39-C116 HydrophobicContact CG2-CB 4.1Å; T39-V323 HydrophobicContact CG2-CG2 3.86Å; T39-V323 WeakPolarHBondContact O-CG2 3.39Å
40V97.9Very high96.5Very high0 Ų014.8 Ų14.80%08%0.077CC..Hα-helixtrans-64.5-51.7176.9171.90000111.8V22 V36 A38 V42 G43 L44 V50 F52 A70 V75V22-V40 HydrophobicContact CG1-CG2 4.22Å; V36-V40 WeakPolarHBondContact O-CG2 3.12Å; V36-V40 PolarHBondContact O-N 3.45Å; A38-V40 VanDerWaalsContact C-N 3.3Å; A38-V40 PolarHBondContact O-N 2.59Å; V40-V42 PolarHBondContact O-N 3.35Å; V40-G43 PolarHBondContact O-N 3.41Å; V40-L44 HydrophobicContact CG1-CD1 3.85Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CB 3.38Å; V40-L44 VanDerWaalsContact O-CG 3.26Å; V40-L44 WeakPolarHBondContact O-CG 3.48Å; V40-L44 PolarHBondContact O-N 3.36Å; V40-V50 HydrophobicContact CB-CG1 4.45Å; V40-V50 HydrophobicContact CG2-CG1 3.92Å; V40-F52 HydrophobicContact CG2-CD1 4.38Å; V40-F52 HydrophobicContact CG2-CE1 3.63Å; V40-F52 HydrophobicContact CG2-CZ 4.09Å; V40-A70 HydrophobicContact CB-CB 4.45Å; V40-A70 HydrophobicContact CG1-CB 3.69Å; V40-A70 HydrophobicContact CG2-CB 3.85Å; V40-V75 HydrophobicContact CB-CG1 3.75Å; V40-V75 HydrophobicContact CB-CG2 4.3Å; V40-V75 HydrophobicContact CG1-CG1 3.81Å; V40-V75 HydrophobicContact CG1-CG2 4.04Å; V40-V75 HydrophobicContact CG2-CG1 3.8Å
41R96.4Very high96.6Very high23 Ų2315.8 Ų15.89%0.0878%0.081CC..Hα-helixtrans-64.5-43.1-175.3-75-171.3175.3-158.7-7112.2R37 A38 Y45 W72 V75 L753R37-R41 WeakPolarHBondContact O-CB 3.41Å; R37-R41 WeakPolarHBondContact O-CG 3.31Å; R37-R41 PolarHBondContact O-N 3.41Å; A38-R41 PolarHBondContact O-N 3.05Å; R41-Y45 VanDerWaalsContact O-CB 3.3Å; R41-Y45 WeakPolarHBondContact O-CB 3.32Å; R41-Y45 PolarHBondContact O-N 2.95Å; R41-W72 HydrophobicContact CB-CE3 4.27Å; R41-W72 HydrophobicContact CB-CH2 3.71Å; R41-W72 HydrophobicContact CB-CZ2 4.4Å; R41-W72 HydrophobicContact CB-CZ3 3.65Å; R41-W72 HydrophobicContact CG-CD2 4.23Å; R41-W72 HydrophobicContact CG-CE3 4.02Å; R41-W72 HydrophobicContact CG-CH2 3.78Å; R41-W72 HydrophobicContact CG-CZ2 3.99Å; R41-W72 HydrophobicContact CG-CZ3 3.81Å; R41-W72 WeakPolarHBondContact O-CZ3 3.26Å; R41-V75 HydrophobicContact CG-CG2 3.84Å; R41-L753 HydrophobicContact CB-CD2 3.74Å; R41-L753 VanDerWaalsContact CD-O 3.29Å; R41-L753 WeakPolarHBondContact CD-O 3.41Å; R41-L753 PolarHBondContact NH1-O 3.4Å
42V95.6Very high96.7Very high2 Ų216.4 Ų16.41%0.0128%0.084CC..Hα-helixtrans-71.6-42179.1-179.30000110.6A38 V40 L44 Y45 T46 V320 V323 M324 I752 L753A38-V42 WeakPolarHBondContact O-CB 3.36Å; A38-V42 WeakPolarHBondContact O-CG2 3.36Å; A38-V42 PolarHBondContact O-N 2.78Å; V40-V42 PolarHBondContact O-N 3.35Å; V42-L44 VanDerWaalsContact C-N 3.33Å; V42-L44 PolarHBondContact O-N 3.17Å; V42-Y45 WeakPolarHBondContact O-CB 3.34Å; V42-Y45 PolarHBondContact O-N 3.19Å; V42-Y45 VanDerWaalsContact O-N 3.12Å; V42-T46 HydrophobicContact CG1-CG2 4.37Å; V42-T46 WeakPolarHBondContact O-CG2 3.19Å; V42-T46 PolarHBondContact O-N 2.96Å; V42-T46 PolarHBondContact O-OG1 3.32Å; V42-V320 HydrophobicContact CG1-CG1 4.47Å; V42-V320 HydrophobicContact CG2-CB 4.14Å; V42-V320 HydrophobicContact CG2-CG1 4.21Å; V42-V320 HydrophobicContact CG2-CG2 3.61Å; V42-V323 HydrophobicContact CB-CB 4.26Å; V42-V323 HydrophobicContact CB-CG1 4.41Å; V42-V323 HydrophobicContact CB-CG2 4.17Å; V42-V323 HydrophobicContact CG1-CB 3.87Å; V42-V323 HydrophobicContact CG1-CG1 3.83Å; V42-V323 HydrophobicContact CG1-CG2 4.33Å; V42-M324 HydrophobicContact CG1-CE 3.49Å; V42-M324 VanDerWaalsContact CG1-CE 3.49Å; V42-I752 HydrophobicContact CG2-CG2 4.46Å; V42-L753 HydrophobicContact CG2-CD2 3.97Å
43G96.1Very high96.8Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-55.2-48.5174.700000112.1T39 V40 Y45 T46 G47 A48T39-G43 PolarHBondContact O-N 3.1Å; V40-G43 PolarHBondContact O-N 3.41Å; G43-Y45 PolarHBondContact O-N 3.28Å; G43-T46 PolarHBondContact O-N 3.45Å; G43-T46 PolarHBondContact O-OG1 3.48Å; G43-G47 PolarHBondContact O-N 3.38Å; G43-A48 WeakPolarHBondContact O-CB 3.43Å; G43-A48 PolarHBondContact O-N 3.48Å
44L95.7Very high96.7Very high54 Ų5418.1 Ų18.128%0.2839%0.092SC..Hα-helixtrans-64-40175.8-67.1173.6000112.8V40 V42 T46 G47 V50 W72V40-L44 HydrophobicContact CG1-CD1 3.85Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CB 3.38Å; V40-L44 VanDerWaalsContact O-CG 3.26Å; V40-L44 WeakPolarHBondContact O-CG 3.48Å; V40-L44 PolarHBondContact O-N 3.36Å; V42-L44 VanDerWaalsContact C-N 3.33Å; V42-L44 PolarHBondContact O-N 3.17Å; L44-T46 VanDerWaalsContact C-N 3.29Å; L44-T46 PolarHBondContact O-N 2.91Å; L44-G47 PolarHBondContact O-N 2.88Å; L44-G47 VanDerWaalsContact O-N 3.08Å; L44-V50 HydrophobicContact CD2-CG2 4.3Å; L44-V50 HydrophobicContact CG-CG2 4.2Å; L44-W72 HydrophobicContact CD1-CB 4.43Å
45Y94.4Very high96.7Very high34 Ų3421.7 Ų21.713%0.13311%0.108CC..Hα-helixtrans-60.6-37.2176.9163.5-93.1000112.3P11 T12 R41 V42 G43 G47 I752 I758 L760P11-Y45 HydrophobicContact CB-CE1 4.49Å; T12-Y45 WeakPolarHBondContact CA-O 3.38Å; T12-Y45 HydrophobicContact CG2-CE1 4.37Å; T12-Y45 HydrophobicContact CG2-CE2 3.85Å; R41-Y45 VanDerWaalsContact O-CB 3.3Å; R41-Y45 WeakPolarHBondContact O-CB 3.32Å; R41-Y45 PolarHBondContact O-N 2.95Å; V42-Y45 WeakPolarHBondContact O-CB 3.34Å; V42-Y45 PolarHBondContact O-N 3.19Å; V42-Y45 VanDerWaalsContact O-N 3.12Å; G43-Y45 PolarHBondContact O-N 3.28Å; Y45-G47 PolarHBondContact O-N 3.25Å; Y45-I752 HydrophobicContact CD1-CG2 3.96Å; Y45-I752 HydrophobicContact CD2-CG2 3.95Å; Y45-I752 HydrophobicContact CE1-CD1 4.26Å; Y45-I752 HydrophobicContact CE1-CG2 4.34Å; Y45-I752 HydrophobicContact CE2-CG1 4.12Å; Y45-I752 HydrophobicContact CE2-CG2 4.31Å; Y45-I752 HydrophobicContact CG-CG2 3.75Å; Y45-I758 WeakPolarHBondContact CE2-O 3.3Å; Y45-I758 PolarHBondContact OH-O 3.45Å; Y45-L760 HydrophobicContact CE1-CB 4.42Å; Y45-L760 PolarHBondContact OH-N 2.94Å
46T93.3Very high96.6Very high0 Ų021.7 Ų21.70%011%0.108CC..THydrogen-bonded Turntrans-77.5-1.9176.564.50000114.2P11 T12 K13 M14 G15 V42 G43 L44 V323 M324 L327P11-T46 WeakPolarHBondContact O-CA 3.45Å; P11-T46 WeakPolarHBondContact O-CG2 3.47Å; T12-T46 CarbonylContact C-O 3.56Å; T12-T46 CarbonylContact O-C 3.57Å; K13-T46 CarbonylContact C-O 3.58Å; M14-T46 PolarHBondContact N-O 3.27Å; G15-T46 VanDerWaalsContact CA-O 3.24Å; G15-T46 WeakPolarHBondContact CA-O 3.37Å; G15-T46 PolarHBondContact N-O 3.03Å; V42-T46 HydrophobicContact CG1-CG2 4.37Å; V42-T46 WeakPolarHBondContact O-CG2 3.19Å; V42-T46 PolarHBondContact O-N 2.96Å; V42-T46 PolarHBondContact O-OG1 3.32Å; G43-T46 PolarHBondContact O-N 3.45Å; G43-T46 PolarHBondContact O-OG1 3.48Å; L44-T46 VanDerWaalsContact C-N 3.29Å; L44-T46 PolarHBondContact O-N 2.91Å; T46-V323 HydrophobicContact CG2-CG1 4.44Å; T46-M324 HydrophobicContact CG2-CE 3.92Å; T46-L327 HydrophobicContact CG2-CD1 3.67Å; T46-L327 WeakPolarHBondContact OG1-CD1 3.47Å
47G93.4Very high96.6Very high36 Ų3622.3 Ų22.337%0.37111%0.111SC..THydrogen-bonded Turntrans86.15.7-177.700000115.3T12 G43 L44 Y45T12-G47 PolarHBondContact O-N 3.07Å; G43-G47 PolarHBondContact O-N 3.38Å; L44-G47 PolarHBondContact O-N 2.88Å; L44-G47 VanDerWaalsContact O-N 3.08Å; Y45-G47 PolarHBondContact O-N 3.25Å
48A95.8Very high96.5Very high5 Ų523.7 Ų23.74%0.04112%0.117CC..  trans-75.7151.3174.800000112G15 R18 I20 G43G15-A48 VanDerWaalsContact O-CA 3.23Å; G15-A48 WeakPolarHBondContact O-CA 3.47Å; G15-A48 PolarHBondContact O-N 2.89Å; R18-A48 WeakPolarHBondContact O-CA 3.29Å; I20-A48 HydrophobicContact CD1-CB 4Å; I20-A48 HydrophobicContact CG1-CB 4.31Å; G43-A48 WeakPolarHBondContact O-CB 3.43Å; G43-A48 PolarHBondContact O-N 3.48Å
49K97.6Very high96.5Very high141 Ų14123.7 Ų23.761%0.61312%0.117SC*.EExtended strand (participates in β ladder)trans-80.1128.5165.2-65.2179.4-177.6176.90108.6R18 S19 I20 F51R18-K49 PolarHBondContact O-N 2.97Å; S19-K49 CarbonylContact C-O 3.37Å; S19-K49 WeakPolarHBondContact CA-O 3.29Å; I20-K49 PolarHBondContact N-O 3.33Å; K49-F51 HydrophobicContact CB-CE2 3.94Å
50V98.2Very high96.5Very high3 Ų323.7 Ų23.72%0.01812%0.117CC..EExtended strand (participates in β ladder)trans-113.9140.1179.4-168.50000110.4I20 V40 L44 A70I20-V50 CarbonylContact O-C 3.49Å; I20-V50 VanDerWaalsContact O-CA 3.26Å; I20-V50 WeakPolarHBondContact O-CA 3.34Å; V40-V50 HydrophobicContact CB-CG1 4.45Å; V40-V50 HydrophobicContact CG2-CG1 3.92Å; L44-V50 HydrophobicContact CD2-CG2 4.3Å; L44-V50 HydrophobicContact CG-CG2 4.2Å; V50-A70 HydrophobicContact CB-CB 4.3Å; V50-A70 HydrophobicContact CG1-CB 4.39Å; V50-A70 PolarHBondContact O-N 3.28Å
51F98.6Very high96.4Very high21 Ų2124 Ų249%0.09212%0.12CC..EExtended strand (participates in β ladder)trans-125.1139.4179.5-64.3-97.3000111I20 A21 V22 K49 I67 R68 P69 I112I20-F51 PolarHBondContact O-N 3.4Å; A21-F51 CarbonylContact C-O 3.6Å; A21-F51 WeakPolarHBondContact CA-O 3.15Å; V22-F51 PolarHBondContact N-O 2.96Å; K49-F51 HydrophobicContact CB-CE2 3.94Å; F51-I67 HydrophobicContact CB-CG2 4.05Å; F51-I67 HydrophobicContact CD1-CG2 4.19Å; F51-I67 HydrophobicContact CG-CG2 4.4Å; F51-R68 CarbonylContact C-O 3.48Å; F51-R68 WeakPolarHBondContact CA-O 3.46Å; F51-P69 HydrophobicContact CD1-CB 4.32Å; F51-P69 HydrophobicContact CE1-CB 4.19Å; F51-I112 HydrophobicContact CB-CD1 4.2Å; F51-I112 HydrophobicContact CD1-CD1 4.43Å; F51-I112 HydrophobicContact CD2-CD1 3.78Å; F51-I112 HydrophobicContact CD2-CG1 3.91Å; F51-I112 HydrophobicContact CE2-CD1 4.24Å; F51-I112 HydrophobicContact CE2-CG1 4.08Å; F51-I112 HydrophobicContact CG-CD1 3.89Å
52F98.3Very high96.4Very high14 Ų1426.7 Ų26.76%0.06114%0.136CC..EExtended strand (participates in β ladder)trans-82.2139.1162.4-60.6-61000109.7V22 V36 V40 I67 R68 A70 S74 V75 I86V22-F52 HydrophobicContact CG1-CD1 4.03Å; V36-F52 HydrophobicContact CG1-CD1 4.18Å; V36-F52 HydrophobicContact CG1-CE1 3.73Å; V40-F52 HydrophobicContact CG2-CD1 4.38Å; V40-F52 HydrophobicContact CG2-CE1 3.63Å; V40-F52 HydrophobicContact CG2-CZ 4.09Å; F52-I67 CarbonylContact O-C 3.58Å; F52-I67 VanDerWaalsContact O-CA 3.29Å; F52-I67 WeakPolarHBondContact O-CA 3.18Å; F52-R68 PolarHBondContact N-O 3.41Å; F52-R68 PolarHBondContact O-N 3.03Å; F52-A70 HydrophobicContact CD1-CB 4.42Å; F52-A70 HydrophobicContact CD2-CB 3.85Å; F52-A70 HydrophobicContact CE1-CB 4.11Å; F52-A70 HydrophobicContact CE2-CB 3.5Å; F52-A70 HydrophobicContact CG-CB 4.32Å; F52-A70 HydrophobicContact CZ-CB 3.65Å; F52-S74 VanDerWaalsContact CE2-OG 3.29Å; F52-S74 WeakPolarHBondContact CE2-OG 3.28Å; F52-S74 WeakPolarHBondContact CZ-OG 3.46Å; F52-V75 HydrophobicContact CE1-CG1 3.88Å; F52-V75 HydrophobicContact CZ-CG1 3.53Å; F52-I86 HydrophobicContact CB-CG2 4.15Å; F52-I86 HydrophobicContact CD1-CG2 3.65Å; F52-I86 HydrophobicContact CE1-CG2 4.21Å; F52-I86 HydrophobicContact CG-CG2 4Å
53V98.2Very high96.4Very high0 Ų026.7 Ų26.70%014%0.136CC..EExtended strand (participates in β ladder)trans-109.9112.6162.9-174.70000107.5A21 V22 L23 G56 L60 H66 I67A21-V53 HydrophobicContact CB-CG2 3.9Å; V22-V53 PolarHBondContact O-N 3.45Å; L23-V53 HydrophobicContact CB-CB 3.7Å; L23-V53 HydrophobicContact CB-CG1 4.29Å; L23-V53 HydrophobicContact CB-CG2 4.29Å; V53-G56 WeakPolarHBondContact CG1-O 3.33Å; V53-L60 HydrophobicContact CG1-CB 4Å; V53-L60 HydrophobicContact CG1-CD1 4.14Å; V53-L60 HydrophobicContact CG2-CD1 4.16Å; V53-H66 WeakPolarHBondContact CA-O 3.47Å; V53-I67 HydrophobicContact CG1-CG1 4.47Å; V53-I67 HydrophobicContact CG2-CG1 4.48Å
54H97.3Very high96.3Very high38 Ų3829.8 Ų29.818%0.17617%0.168CC..THydrogen-bonded Turntrans-77.2150.8-180-72.7-82.9000111.5G56 G59 H66 I86H54-G56 PolarHBondContact O-N 3.35Å; H54-G56 VanDerWaalsContact O-N 3.11Å; H54-G59 WeakPolarHBondContact O-CA 3.22Å; H54-G59 PolarHBondContact O-N 2.97Å; H54-H66 HydrophobicContact CB-CB 4.49Å; H54-H66 PolarHBondContact N-O 3.23Å; H54-I86 CarbonylContact C-O 3.45Å; H54-I86 WeakPolarHBondContact CA-O 3.37Å; H54-I86 PolarHBondContact ND1-O 2.98Å
55E96.4Very high96.2Very high74 Ų7433.1 Ų33.135%0.34619%0.186SC..THydrogen-bonded Turntrans57.725.9176.3-51.4-47.913400114.7Q58 I86 S88 A89E55-Q58 PolarHBondContact O-N 3.02Å; E55-I86 PolarHBondContact N-O 3.33Å; E55-S88 PolarHBondContact OE2-N 3.41Å; E55-A89 HydrophobicContact CB-CB 3.97Å; E55-A89 WeakPolarHBondContact O-CB 3.37Å; E55-A89 PolarHBondContact O-N 3.16Å
56G95.9Very high96.3Very high0 Ų034.7 Ų34.70%020%0.195CC..THydrogen-bonded Turntrans63.4-134.5175.600000113.6T24 V53 H54 Q58 G59 L60T24-G56 WeakPolarHBondContact O-CA 3.42Å; V53-G56 WeakPolarHBondContact CG1-O 3.33Å; H54-G56 PolarHBondContact O-N 3.35Å; H54-G56 VanDerWaalsContact O-N 3.11Å; G56-Q58 PolarHBondContact O-N 2.83Å; G56-G59 PolarHBondContact O-N 3.4Å; G56-L60 PolarHBondContact O-N 3.41Å
57Y97Very high96.5Very high14 Ų1435.2 Ų35.26%0.05520%0.197CC..Hα-helixtrans-64.3-25.9-179.5-73.7-61.7000113.2L23 S25 L60 V61 F94 S123 A127L23-Y57 HydrophobicContact CD2-CD1 4.39Å; L23-Y57 HydrophobicContact CD2-CE1 4.31Å; S25-Y57 WeakPolarHBondContact OG-CD2 3.23Å; Y57-L60 HydrophobicContact CD1-CD2 4.13Å; Y57-L60 WeakPolarHBondContact O-CB 3.43Å; Y57-L60 PolarHBondContact O-N 2.92Å; Y57-V61 WeakPolarHBondContact O-CG2 3.3Å; Y57-V61 PolarHBondContact O-N 2.88Å; Y57-V61 VanDerWaalsContact O-N 3.1Å; Y57-F94 AromaticContact CD1-CD1 3.74Å; Y57-F94 HydrophobicContact CD1-CD1 3.74Å; Y57-F94 HydrophobicContact CD1-CD2 4.13Å; Y57-F94 AromaticContact CD1-CE1 3.47Å; Y57-F94 HydrophobicContact CD1-CE1 3.47Å; Y57-F94 VanDerWaalsContact CD1-CE1 3.47Å; Y57-F94 AromaticContact CD1-CE2 3.89Å; Y57-F94 HydrophobicContact CD1-CE2 3.89Å; Y57-F94 HydrophobicContact CD1-CG 4.05Å; Y57-F94 AromaticContact CD1-CZ 3.54Å; Y57-F94 HydrophobicContact CD1-CZ 3.54Å; Y57-F94 HydrophobicContact CD2-CD1 4.41Å; Y57-F94 HydrophobicContact CE1-CD1 4.15Å; Y57-F94 AromaticContact CE1-CE1 3.5Å; Y57-F94 HydrophobicContact CE1-CE1 3.5Å; Y57-F94 VanDerWaalsContact CE1-CE1 3.5Å; Y57-F94 HydrophobicContact CE1-CE2 4.41Å; Y57-F94 AromaticContact CE1-CZ 3.64Å; Y57-F94 HydrophobicContact CE1-CZ 3.64Å; Y57-F94 AromaticContact CG-CD1 3.89Å; Y57-F94 HydrophobicContact CG-CD1 3.89Å; Y57-F94 HydrophobicContact CG-CE1 4.08Å; Y57-F94 HydrophobicContact CG-CG 4.13Å; Y57-F94 HydrophobicContact CG-CZ 4.48Å; Y57-S123 PolarHBondContact OH-O 3.38Å; Y57-A127 VanDerWaalsContact OH-CA 3.32Å; Y57-A127 WeakPolarHBondContact OH-CA 3.27Å; Y57-A127 VanDerWaalsContact OH-CB 3.31Å; Y57-A127 WeakPolarHBondContact OH-CB 3.39Å; Y57-A127 PolarHBondContact OH-N 2.77Å
58Q96.6Very high96.7Very high38 Ų3839.4 Ų39.418%0.17820%0.202CC..Hα-helixtrans-64.6-49178.5-171.460.651.700110.3E55 G56 L60 V61 D62 A89 C91E55-Q58 PolarHBondContact O-N 3.02Å; G56-Q58 PolarHBondContact O-N 2.83Å; Q58-L60 PolarHBondContact O-N 3.26Å; Q58-V61 WeakPolarHBondContact O-CB 3.45Å; Q58-V61 PolarHBondContact O-N 3.39Å; Q58-D62 WeakPolarHBondContact CG-OD2 3.44Å; Q58-D62 PolarHBondContact NE2-OD1 2.98Å; Q58-D62 PolarHBondContact NE2-OD2 3.39Å; Q58-D62 VanDerWaalsContact O-CG 3.22Å; Q58-D62 PolarHBondContact O-N 3Å; Q58-A89 HydrophobicContact CB-CB 4.09Å; Q58-C91 HydrophobicContact CB-CB 4.13Å; Q58-C91 PolarHBondContact OE1-SG 3.34Å
59G96.8Very high96.8Very high0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-67.1-22.1176.200000114.1H54 G56 G63 H66H54-G59 WeakPolarHBondContact O-CA 3.22Å; H54-G59 PolarHBondContact O-N 2.97Å; G56-G59 PolarHBondContact O-N 3.4Å; G59-G63 PolarHBondContact O-N 3.35Å; G59-H66 WeakPolarHBondContact O-CB 3.47Å
60L96.1Very high96.8Very high0 Ų037.4 Ų37.40%020%0.203CC..Hα-helixtrans-65.7-42.6170.3-163.268.9000111.3V53 G56 Y57 Q58 I67 F94 A103 N106 L107 F130V53-L60 HydrophobicContact CG1-CB 4Å; V53-L60 HydrophobicContact CG1-CD1 4.14Å; V53-L60 HydrophobicContact CG2-CD1 4.16Å; G56-L60 PolarHBondContact O-N 3.41Å; Y57-L60 HydrophobicContact CD1-CD2 4.13Å; Y57-L60 WeakPolarHBondContact O-CB 3.43Å; Y57-L60 PolarHBondContact O-N 2.92Å; Q58-L60 PolarHBondContact O-N 3.26Å; L60-I67 HydrophobicContact CD1-CD1 4.32Å; L60-F94 HydrophobicContact CD2-CE2 3.91Å; L60-F94 HydrophobicContact CD2-CZ 4.32Å; L60-A103 HydrophobicContact CB-CB 4.37Å; L60-A103 HydrophobicContact CD2-CB 3.9Å; L60-A103 HydrophobicContact CG-CB 3.75Å; L60-A103 WeakPolarHBondContact O-CA 3.43Å; L60-N106 PolarHBondContact O-ND2 3.12Å; L60-L107 HydrophobicContact CD1-CD1 4.11Å; L60-L107 HydrophobicContact CD1-CD2 3.62Å; L60-L107 HydrophobicContact CD1-CG 3.86Å; L60-F130 HydrophobicContact CD2-CE1 4.07Å; L60-F130 HydrophobicContact CD2-CZ 4.47Å
61V96.9Very high96.6Very high8 Ų840.5 Ų40.55%0.04822%0.222CC..Hα-helixtrans-69.6-46.8176.4175.90000111Y57 Q58 G63 D93 F94 K102 A103 N106Y57-V61 WeakPolarHBondContact O-CG2 3.3Å; Y57-V61 PolarHBondContact O-N 2.88Å; Y57-V61 VanDerWaalsContact O-N 3.1Å; Q58-V61 WeakPolarHBondContact O-CB 3.45Å; Q58-V61 PolarHBondContact O-N 3.39Å; V61-G63 PolarHBondContact O-N 3.45Å; V61-D93 HydrophobicContact CG1-CB 4.18Å; V61-F94 HydrophobicContact CG2-CB 4.2Å; V61-F94 HydrophobicContact CG2-CD2 3.8Å; V61-K102 HydrophobicContact CG1-CB 4.14Å; V61-K102 HydrophobicContact CG1-CD 4.23Å; V61-A103 HydrophobicContact CG2-CB 4.29Å; V61-N106 PolarHBondContact O-ND2 3.24Å
62D96.9Very high96.4Very high79 Ų7941 Ų4142%0.42222%0.224SC..Hα-helixtrans-67.4-36.6-175.8-62.8-16000111.8Q58Q58-D62 WeakPolarHBondContact CG-OD2 3.44Å; Q58-D62 PolarHBondContact NE2-OD1 2.98Å; Q58-D62 PolarHBondContact NE2-OD2 3.39Å; Q58-D62 VanDerWaalsContact O-CG 3.22Å; Q58-D62 PolarHBondContact O-N 3Å
63G94.7Very high96Very high2 Ų242.9 Ų42.92%0.02123%0.233CC..  trans65.8-153.9179.400000113.2G59 V61 D65 H66 N106G59-G63 PolarHBondContact O-N 3.35Å; V61-G63 PolarHBondContact O-N 3.45Å; G63-D65 PolarHBondContact O-N 2.93Å; G63-H66 WeakPolarHBondContact O-CB 3.37Å; G63-H66 PolarHBondContact O-N 3.46Å; G63-N106 VanDerWaalsContact CA-ND2 3.29Å; G63-N106 WeakPolarHBondContact CA-ND2 3.46Å; G63-N106 PolarHBondContact N-ND2 3.06Å
64G94.3Very high95.8Very high65 Ų6545 Ų4567%0.6725%0.248SC*.G310 helixtrans54.9-123.7177.800000112.9H66 I67G64-H66 PolarHBondContact O-N 2.99Å; G64-H66 VanDerWaalsContact O-N 3.09Å; G64-I67 PolarHBondContact O-N 3.21Å
65D93.3Very high95.6Very high124 Ų12443.2 Ų43.266%0.66324%0.239SC*.G310 helixtrans-64.4-11.8-179.4-77.7-23.2000114.2G63 R68G63-D65 PolarHBondContact O-N 2.93Å; D65-R68 WeakPolarHBondContact O-CD 3.49Å; D65-R68 VanDerWaalsContact O-CG 3.26Å; D65-R68 WeakPolarHBondContact O-CG 3.26Å; D65-R68 PolarHBondContact O-NE 3.46Å; D65-R68 PolarHBondContact O-NH2 2.9Å
66H97Very high95.3Very high67 Ų6740.8 Ų40.831%0.3123%0.231SC..G310 helixtrans-81.3-15.7174.4-66.5-83.5000113.1V53 H54 G59 G63 G64V53-H66 WeakPolarHBondContact CA-O 3.47Å; H54-H66 HydrophobicContact CB-CB 4.49Å; H54-H66 PolarHBondContact N-O 3.23Å; G59-H66 WeakPolarHBondContact O-CB 3.47Å; G63-H66 WeakPolarHBondContact O-CB 3.37Å; G63-H66 PolarHBondContact O-N 3.46Å; G64-H66 PolarHBondContact O-N 2.99Å; G64-H66 VanDerWaalsContact O-N 3.09Å
67I97.8Very high94.9Very high11 Ų1143.1 Ų43.16%0.05624%0.242CC..EExtended strand (participates in β ladder)trans-114.497176.4-51.3178.5000109.6F51 F52 V53 L60 G64 N106 L110 I112F51-I67 HydrophobicContact CB-CG2 4.05Å; F51-I67 HydrophobicContact CD1-CG2 4.19Å; F51-I67 HydrophobicContact CG-CG2 4.4Å; F52-I67 CarbonylContact O-C 3.58Å; F52-I67 VanDerWaalsContact O-CA 3.29Å; F52-I67 WeakPolarHBondContact O-CA 3.18Å; V53-I67 HydrophobicContact CG1-CG1 4.47Å; V53-I67 HydrophobicContact CG2-CG1 4.48Å; L60-I67 HydrophobicContact CD1-CD1 4.32Å; G64-I67 PolarHBondContact O-N 3.21Å; I67-N106 HydrophobicContact CD1-CB 3.92Å; I67-L110 HydrophobicContact CB-CD1 3.91Å; I67-L110 HydrophobicContact CD1-CD1 4.27Å; I67-L110 HydrophobicContact CG2-CD1 3.47Å; I67-L110 VanDerWaalsContact CG2-CD1 3.47Å; I67-I112 HydrophobicContact CG2-CD1 4.09Å
68R97.4Very high94.7Very high123 Ų12343.4 Ų43.446%0.46424%0.244SC..EExtended strand (participates in β ladder)trans-112.6139.7-170.4-63.9-175-180172.30.7112.3F51 F52 D65 A70F51-R68 CarbonylContact C-O 3.48Å; F51-R68 WeakPolarHBondContact CA-O 3.46Å; F52-R68 PolarHBondContact N-O 3.41Å; F52-R68 PolarHBondContact O-N 3.03Å; D65-R68 WeakPolarHBondContact O-CD 3.49Å; D65-R68 VanDerWaalsContact O-CG 3.26Å; D65-R68 WeakPolarHBondContact O-CG 3.26Å; D65-R68 PolarHBondContact O-NE 3.46Å; D65-R68 PolarHBondContact O-NH2 2.9Å; R68-A70 PolarHBondContact O-N 3.03Å
69P97.4Very high94.5Very high96 Ų9641.8 Ų41.862%0.62324%0.237SC*.EExtended strand (participates in β ladder)trans-62.5133.7172.627.3-33.7000110.4F51F51-P69 HydrophobicContact CD1-CB 4.32Å; F51-P69 HydrophobicContact CE1-CB 4.19Å
70A97.1Very high94.4Very high8 Ų843 Ų437%0.06624%0.242CC..  trans-89.5145.4174.600000110.3V40 V50 F52 R68V40-A70 HydrophobicContact CB-CB 4.45Å; V40-A70 HydrophobicContact CG1-CB 3.69Å; V40-A70 HydrophobicContact CG2-CB 3.85Å; V50-A70 HydrophobicContact CB-CB 4.3Å; V50-A70 HydrophobicContact CG1-CB 4.39Å; V50-A70 PolarHBondContact O-N 3.28Å; F52-A70 HydrophobicContact CD1-CB 4.42Å; F52-A70 HydrophobicContact CD2-CB 3.85Å; F52-A70 HydrophobicContact CE1-CB 4.11Å; F52-A70 HydrophobicContact CE2-CB 3.5Å; F52-A70 HydrophobicContact CG-CB 4.32Å; F52-A70 HydrophobicContact CZ-CB 3.65Å; R68-A70 PolarHBondContact O-N 3.03Å
71T95.6Very high94.3Very high68 Ų6846.7 Ų46.742%0.41726%0.262SS..  trans-119.4169.817467.70000110.1E73 S74T71-E73 PolarHBondContact O-N 2.68Å; T71-S74 PolarHBondContact N-OG 2.78Å; T71-S74 PolarHBondContact O-N 2.9Å; T71-S74 PolarHBondContact O-OG 3.04Å; T71-S74 WeakPolarHBondContact OG1-CB 3.03Å; T71-S74 PolarHBondContact OG1-N 3.03Å; T71-S74 VanDerWaalsContact OG1-N 3.12Å
72W92.4Very high94.1Very high32 Ų3247.9 Ų47.912%0.12128%0.275CS..THydrogen-bonded Turntrans-60.7-37.6177.1-172.3-91.3000112.1R41 L44 I752 L753 K755R41-W72 HydrophobicContact CB-CE3 4.27Å; R41-W72 HydrophobicContact CB-CH2 3.71Å; R41-W72 HydrophobicContact CB-CZ2 4.4Å; R41-W72 HydrophobicContact CB-CZ3 3.65Å; R41-W72 HydrophobicContact CG-CD2 4.23Å; R41-W72 HydrophobicContact CG-CE3 4.02Å; R41-W72 HydrophobicContact CG-CH2 3.78Å; R41-W72 HydrophobicContact CG-CZ2 3.99Å; R41-W72 HydrophobicContact CG-CZ3 3.81Å; R41-W72 WeakPolarHBondContact O-CZ3 3.26Å; L44-W72 HydrophobicContact CD1-CB 4.43Å; W72-I752 VanDerWaalsContact CH2-O 3.26Å; W72-I752 WeakPolarHBondContact CH2-O 3.33Å; W72-L753 VanDerWaalsContact CZ2-O 3.31Å; W72-L753 WeakPolarHBondContact CZ2-O 3.44Å; W72-K755 HydrophobicContact CD2-CB 4.37Å; W72-K755 HydrophobicContact CD2-CD 3.96Å; W72-K755 HydrophobicContact CD2-CG 4.12Å; W72-K755 HydrophobicContact CE3-CG 4.37Å; W72-K755 HydrophobicContact CG-CD 4.07Å; W72-K755 HydrophobicContact CH2-CB 3.91Å; W72-K755 HydrophobicContact CH2-CG 4.18Å; W72-K755 HydrophobicContact CZ2-CB 3.37Å; W72-K755 HydrophobicContact CZ2-CD 4.45Å; W72-K755 HydrophobicContact CZ2-CG 3.93Å; W72-K755 HydrophobicContact CZ3-CG 4.37Å
73E91.6Very high93.9Very high53 Ų5344.6 Ų44.625%0.24826%0.261CS..THydrogen-bonded Turntrans-78.7-29.1-177.5-61.771.4-15500112T71 V75 S76 T620 V621T71-E73 PolarHBondContact O-N 2.68Å; E73-V75 PolarHBondContact O-N 2.7Å; E73-S76 WeakPolarHBondContact O-CB 3.31Å; E73-S76 PolarHBondContact O-N 3Å; E73-S76 VanDerWaalsContact O-N 3.07Å; E73-T620 WeakPolarHBondContact CG-OG1 2.96Å; E73-V621 HydrophobicContact CB-CG2 4.39Å; E73-V621 HydrophobicContact CG-CG2 4.15Å
74S93.3Very high93.8Very high45 Ų4545.7 Ų45.732%0.31527%0.267SS..THydrogen-bonded Turntrans-63-26.2-178.470.50000112.9F52 T71 M78F52-S74 VanDerWaalsContact CE2-OG 3.29Å; F52-S74 WeakPolarHBondContact CE2-OG 3.28Å; F52-S74 WeakPolarHBondContact CZ-OG 3.46Å; T71-S74 PolarHBondContact N-OG 2.78Å; T71-S74 PolarHBondContact O-N 2.9Å; T71-S74 PolarHBondContact O-OG 3.04Å; T71-S74 WeakPolarHBondContact OG1-CB 3.03Å; T71-S74 PolarHBondContact OG1-N 3.03Å; T71-S74 VanDerWaalsContact OG1-N 3.12Å; S74-M78 WeakPolarHBondContact O-CE 3.36Å
75V93.8Very high93.8Very high0 Ų045.3 Ų45.30%025%0.251CS..THydrogen-bonded Turntrans-97.914.4177.1-60.70000114.8R37 V40 R41 F52 E73 M78R37-V75 HydrophobicContact CB-CB 4.1Å; R37-V75 HydrophobicContact CB-CG2 4.48Å; R37-V75 HydrophobicContact CG-CB 3.99Å; R37-V75 HydrophobicContact CG-CG2 3.93Å; V40-V75 HydrophobicContact CB-CG1 3.75Å; V40-V75 HydrophobicContact CB-CG2 4.3Å; V40-V75 HydrophobicContact CG1-CG1 3.81Å; V40-V75 HydrophobicContact CG1-CG2 4.04Å; V40-V75 HydrophobicContact CG2-CG1 3.8Å; R41-V75 HydrophobicContact CG-CG2 3.84Å; F52-V75 HydrophobicContact CE1-CG1 3.88Å; F52-V75 HydrophobicContact CZ-CG1 3.53Å; E73-V75 PolarHBondContact O-N 2.7Å; V75-M78 WeakPolarHBondContact CA-SD 3.46Å; V75-M78 HydrophobicContact CB-CE 4.4Å; V75-M78 HydrophobicContact CB-SD 3.68Å; V75-M78 HydrophobicContact CG1-CE 4.16Å; V75-M78 HydrophobicContact CG1-SD 3.68Å
76S89.3Confident93.9Very high24 Ų2439.6 Ų39.617%0.16822%0.221CC..THydrogen-bonded Turntrans-68.6144.1174.6-159.30000110.8E73 M78 V621 R623E73-S76 WeakPolarHBondContact O-CB 3.31Å; E73-S76 PolarHBondContact O-N 3Å; E73-S76 VanDerWaalsContact O-N 3.07Å; S76-M78 PolarHBondContact O-N 3.34Å; S76-M78 VanDerWaalsContact O-N 3.16Å; S76-V621 WeakPolarHBondContact OG-CG2 3.31Å; S76-R623 PolarHBondContact OG-NH2 3.04Å
77M86.8Confident93.8Very high49 Ų4937 Ų3724%0.24121%0.213CC..THydrogen-bonded Turntrans62.77.9-177-66.1-59.1-99.500116.9Q80 L81 K558 R623M77-Q80 PolarHBondContact O-NE2 3.02Å; M77-Q80 PolarHBondContact O-OE1 3.25Å; M77-Q80 PolarHBondContact SD-NE2 2.95Å; M77-L81 WeakPolarHBondContact O-CG 3.44Å; M77-K558 HydrophobicContact CE-CB 4.33Å; M77-R623 PolarHBondContact SD-NE 3.34Å; M77-R623 PolarHBondContact SD-NH2 2.98Å
78M93.1Very high93.5Very high19 Ų1938.3 Ų38.39%0.09422%0.223CC..  trans-73.6-26.9-178.7-72.9-173.6176.100114.6N33 R37 S74 V75 S76 Q80 L81 V85N33-M78 HydrophobicContact CB-CB 4.22Å; N33-M78 VanDerWaalsContact CB-O 3.27Å; N33-M78 WeakPolarHBondContact CB-O 3.47Å; R37-M78 HydrophobicContact CB-CB 4.46Å; S74-M78 WeakPolarHBondContact O-CE 3.36Å; V75-M78 WeakPolarHBondContact CA-SD 3.46Å; V75-M78 HydrophobicContact CB-CE 4.4Å; V75-M78 HydrophobicContact CB-SD 3.68Å; V75-M78 HydrophobicContact CG1-CE 4.16Å; V75-M78 HydrophobicContact CG1-SD 3.68Å; S76-M78 PolarHBondContact O-N 3.34Å; S76-M78 VanDerWaalsContact O-N 3.16Å; M78-Q80 VanDerWaalsContact C-N 3.29Å; M78-Q80 PolarHBondContact O-N 3.27Å; M78-L81 PolarHBondContact O-N 2.84Å; M78-L81 VanDerWaalsContact O-N 3.12Å; M78-V85 HydrophobicContact CE-CB 4.2Å; M78-V85 HydrophobicContact CE-CG2 3.41Å; M78-V85 VanDerWaalsContact CE-CG2 3.41Å; M78-V85 HydrophobicContact CG-CG1 4.42Å; M78-V85 HydrophobicContact CG-CG2 4.19Å; M78-V85 HydrophobicContact SD-CG2 3.58Å; M78-V85 VanDerWaalsContact SD-CG2 3.58Å
79L93.8Very high93.2Very high4 Ų434 Ų342%0.02121%0.213CC..THydrogen-bonded Turntrans-57.7-37.1-172.2-76.9171.8000114.3A34 P307 R312 G590A34-L79 HydrophobicContact CB-CD2 3.65Å; L79-P307 WeakPolarHBondContact O-CG 3.43Å; L79-R312 WeakPolarHBondContact O-CD 3.45Å; L79-R312 WeakPolarHBondContact O-CG 3.36Å; L79-R312 PolarHBondContact O-NE 3.42Å; L79-G590 VanDerWaalsContact CD1-CA 3.45Å
80Q93.1Very high92.7Very high26 Ų2641.1 Ų41.112%0.12123%0.227CC..THydrogen-bonded Turntrans-91.9-4.9-177.569.8-87.1200114.1M77 M78 T306 D555 K558M77-Q80 PolarHBondContact O-NE2 3.02Å; M77-Q80 PolarHBondContact O-OE1 3.25Å; M77-Q80 PolarHBondContact SD-NE2 2.95Å; M78-Q80 VanDerWaalsContact C-N 3.29Å; M78-Q80 PolarHBondContact O-N 3.27Å; Q80-T306 VanDerWaalsContact O-CG2 3.31Å; Q80-T306 WeakPolarHBondContact O-CG2 3.43Å; Q80-D555 HydrophobicContact CB-CB 4.46Å; Q80-D555 WeakPolarHBondContact CB-OD1 3.49Å; Q80-D555 WeakPolarHBondContact CB-OD2 3.28Å; Q80-K558 VanDerWaalsContact OE1-NZ 3.08Å
81L94.3Very high92.4Very high78 Ų7841.7 Ų41.741%0.40823%0.231SC..  trans-81.7135.1-177.8-60.5178.3000110.2N33 M77 M78 V85N33-L81 PolarHBondContact ND2-O 3.3Å; M77-L81 WeakPolarHBondContact O-CG 3.44Å; M78-L81 PolarHBondContact O-N 2.84Å; M78-L81 VanDerWaalsContact O-N 3.12Å; L81-V85 HydrophobicContact CB-CG1 4.39Å; L81-V85 HydrophobicContact CD1-CG1 3.68Å
82G92.7Very high92.1Very high32 Ų3246.9 Ų46.933%0.3325%0.247SC..  trans-71.9172.8169.200000112.8N33 G305N33-G82 PolarHBondContact ND2-O 3.36Å; G82-G305 WeakPolarHBondContact CA-O 3.15Å
83G93.1Very high92.1Very high11 Ų1149 Ų4911%0.11326%0.261CS..SBendtrans57.2-145179.600000113.8D28 N33D28-G83 VanDerWaalsContact OD2-CA 3.29Å; D28-G83 WeakPolarHBondContact OD2-CA 3.5Å; N33-G83 PolarHBondContact ND2-O 3.41Å; N33-G83 VanDerWaalsContact ND2-O 3.08Å
84T93.3Very high92.2Very high25 Ų2547.1 Ų47.115%0.15325%0.252CS..  trans-127124.6172.81740000111.5T24 D28 N33 I86 G87T24-T84 WeakPolarHBondContact CG2-OG1 3.47Å; T24-T84 WeakPolarHBondContact OG1-CB 3.41Å; T24-T84 WeakPolarHBondContact OG1-CG2 3.24Å; T24-T84 PolarHBondContact OG1-OG1 3.33Å; D28-T84 HydrophobicContact CB-CG2 4.38Å; N33-T84 WeakPolarHBondContact OD1-CA 3.41Å; T84-I86 PolarHBondContact O-N 3.17Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.38Å; T84-I86 PolarHBondContact OG1-N 3.36Å; T84-G87 PolarHBondContact O-N 3.03Å
85V94.3Very high92Very high57 Ų5752.2 Ų52.235%0.34527%0.273SS..THydrogen-bonded Turntrans-70.5-17.3177.8-66.30000114N33 M78 L81N33-V85 WeakPolarHBondContact OD1-CG1 3.35Å; N33-V85 VanDerWaalsContact OD1-CG2 3.26Å; N33-V85 WeakPolarHBondContact OD1-CG2 3.19Å; N33-V85 PolarHBondContact OD1-N 3.21Å; M78-V85 HydrophobicContact CE-CB 4.2Å; M78-V85 HydrophobicContact CE-CG2 3.41Å; M78-V85 VanDerWaalsContact CE-CG2 3.41Å; M78-V85 HydrophobicContact CG-CG1 4.42Å; M78-V85 HydrophobicContact CG-CG2 4.19Å; M78-V85 HydrophobicContact SD-CG2 3.58Å; M78-V85 VanDerWaalsContact SD-CG2 3.58Å; L81-V85 HydrophobicContact CB-CG1 4.39Å; L81-V85 HydrophobicContact CD1-CG1 3.68Å
86I95.6Very high92.1Very high3 Ų355.9 Ų55.92%0.01530%0.298CS..THydrogen-bonded Turntrans-97.43.4175.564.1178.6000112.1T24 V36 F52 H54 E55 T84T24-I86 HydrophobicContact CG2-CD1 4.18Å; T24-I86 HydrophobicContact CG2-CG1 4.25Å; T24-I86 VanDerWaalsContact OG1-CG1 3.25Å; T24-I86 WeakPolarHBondContact OG1-CG1 3.32Å; V36-I86 HydrophobicContact CG1-CD1 4.47Å; V36-I86 HydrophobicContact CG2-CD1 4.03Å; F52-I86 HydrophobicContact CB-CG2 4.15Å; F52-I86 HydrophobicContact CD1-CG2 3.65Å; F52-I86 HydrophobicContact CE1-CG2 4.21Å; F52-I86 HydrophobicContact CG-CG2 4Å; H54-I86 CarbonylContact C-O 3.45Å; H54-I86 WeakPolarHBondContact CA-O 3.37Å; H54-I86 PolarHBondContact ND1-O 2.98Å; E55-I86 PolarHBondContact N-O 3.33Å; T84-I86 PolarHBondContact O-N 3.17Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.38Å; T84-I86 PolarHBondContact OG1-N 3.36Å
87G94.2Very high92.3Very high14 Ų1459.8 Ų59.814%0.14431%0.309CS..  trans73.6170.417800000113.7T24 T84T24-G87 PolarHBondContact OG1-O 3.11Å; T84-G87 PolarHBondContact O-N 3.03Å
88S92.1Very high92.7Very high38 Ų3863.1 Ų63.127%0.26632%0.324SS..  trans-158.6114.41781790000108.6S25 G26 E55S25-S88 WeakPolarHBondContact CA-OG 3.4Å; G26-S88 PolarHBondContact N-OG 3.45Å; G26-S88 VanDerWaalsContact N-OG 3.08Å; G26-S88 PolarHBondContact O-OG 2.88Å; E55-S88 PolarHBondContact OE2-N 3.41Å
89A89.9Confident92.8Very high31 Ų3162.4 Ų62.426%0.25632%0.321SS..  trans-114.5151.2177.600000111.6E55 Q58E55-A89 HydrophobicContact CB-CB 3.97Å; E55-A89 WeakPolarHBondContact O-CB 3.37Å; E55-A89 PolarHBondContact O-N 3.16Å; Q58-A89 HydrophobicContact CB-CB 4.09Å
90R87.4Confident92.9Very high246 Ų24664 Ų6493%0.92833%0.327SS*.  trans-71.5128.3166.2-67.5-175.1-171.8176.32.6108.2
91C90.6Very high93.1Very high20 Ų2063.9 Ų63.914%0.13533%0.326CS..  trans-114.4108.9179.9-173.20000110.4Q58 F94Q58-C91 HydrophobicContact CB-CB 4.13Å; Q58-C91 PolarHBondContact OE1-SG 3.34Å; C91-F94 HydrophobicContact CB-CB 4.15Å; C91-F94 VanDerWaalsContact SG-CB 3.5Å; C91-F94 PolarHBondContact SG-N 3.47Å; C91-F94 VanDerWaalsContact SG-N 3.37Å
92K90.1Very high93.3Very high177 Ų17764.2 Ų64.277%0.7733%0.325SS*.SBendtrans-76-36.4173.1-70.6-175.5179.91790111.2F94 M95K92-F94 VanDerWaalsContact C-N 3.28Å; K92-F94 PolarHBondContact O-N 3Å; K92-M95 WeakPolarHBondContact O-CB 3.43Å; K92-M95 WeakPolarHBondContact O-CG 3.46Å; K92-M95 PolarHBondContact O-N 2.96Å
93D91.6Very high93.5Very high78 Ų7862.7 Ų62.742%0.41731%0.309SS..G310 helixtrans-62.1-37-175.4-61.7-13.7000112.3V61 M95 C96 G99V61-D93 HydrophobicContact CG1-CB 4.18Å; D93-M95 PolarHBondContact O-N 3.28Å; D93-C96 WeakPolarHBondContact O-CB 2.94Å; D93-C96 PolarHBondContact O-N 2.82Å; D93-G99 WeakPolarHBondContact O-CA 3.3Å
94F93.7Very high93.7Very high13 Ų1362.2 Ų62.26%0.05730%0.304CS..G310 helixtrans-66.6-16.5178.7-159.5-102.7000113.6Y57 L60 V61 C91 K92 C96 R100 A103 F130Y57-F94 AromaticContact CD1-CD1 3.74Å; Y57-F94 HydrophobicContact CD1-CD1 3.74Å; Y57-F94 HydrophobicContact CD1-CD2 4.13Å; Y57-F94 AromaticContact CD1-CE1 3.47Å; Y57-F94 HydrophobicContact CD1-CE1 3.47Å; Y57-F94 VanDerWaalsContact CD1-CE1 3.47Å; Y57-F94 AromaticContact CD1-CE2 3.89Å; Y57-F94 HydrophobicContact CD1-CE2 3.89Å; Y57-F94 HydrophobicContact CD1-CG 4.05Å; Y57-F94 AromaticContact CD1-CZ 3.54Å; Y57-F94 HydrophobicContact CD1-CZ 3.54Å; Y57-F94 HydrophobicContact CD2-CD1 4.41Å; Y57-F94 HydrophobicContact CE1-CD1 4.15Å; Y57-F94 AromaticContact CE1-CE1 3.5Å; Y57-F94 HydrophobicContact CE1-CE1 3.5Å; Y57-F94 VanDerWaalsContact CE1-CE1 3.5Å; Y57-F94 HydrophobicContact CE1-CE2 4.41Å; Y57-F94 AromaticContact CE1-CZ 3.64Å; Y57-F94 HydrophobicContact CE1-CZ 3.64Å; Y57-F94 AromaticContact CG-CD1 3.89Å; Y57-F94 HydrophobicContact CG-CD1 3.89Å; Y57-F94 HydrophobicContact CG-CE1 4.08Å; Y57-F94 HydrophobicContact CG-CG 4.13Å; Y57-F94 HydrophobicContact CG-CZ 4.48Å; L60-F94 HydrophobicContact CD2-CE2 3.91Å; L60-F94 HydrophobicContact CD2-CZ 4.32Å; V61-F94 HydrophobicContact CG2-CB 4.2Å; V61-F94 HydrophobicContact CG2-CD2 3.8Å; C91-F94 HydrophobicContact CB-CB 4.15Å; C91-F94 VanDerWaalsContact SG-CB 3.5Å; C91-F94 PolarHBondContact SG-N 3.47Å; C91-F94 VanDerWaalsContact SG-N 3.37Å; K92-F94 VanDerWaalsContact C-N 3.28Å; K92-F94 PolarHBondContact O-N 3Å; F94-C96 VanDerWaalsContact C-N 3.27Å; F94-R100 HydrophobicContact CD1-CG 4.44Å; F94-R100 HydrophobicContact CD2-CG 4.1Å; F94-R100 HydrophobicContact CE1-CG 4.43Å; F94-R100 HydrophobicContact CE2-CG 4.09Å; F94-R100 HydrophobicContact CG-CG 4.28Å; F94-R100 HydrophobicContact CZ-CG 4.27Å; F94-R100 WeakPolarHBondContact O-CG 3.35Å; F94-R100 PolarHBondContact O-NH1 3.19Å; F94-R100 VanDerWaalsContact O-NH1 3.11Å; F94-A103 HydrophobicContact CD2-CB 4.12Å; F94-A103 HydrophobicContact CE2-CB 3.71Å; F94-F130 HydrophobicContact CE1-CB 4.24Å; F94-F130 HydrophobicContact CE1-CG 4.45Å; F94-F130 HydrophobicContact CE2-CD2 4.11Å; F94-F130 HydrophobicContact CE2-CE2 4.13Å; F94-F130 HydrophobicContact CE2-CG 4.31Å; F94-F130 HydrophobicContact CE2-CZ 4.34Å; F94-F130 HydrophobicContact CZ-CB 3.83Å; F94-F130 AromaticContact CZ-CD1 3.93Å; F94-F130 HydrophobicContact CZ-CD1 3.93Å; F94-F130 AromaticContact CZ-CD2 3.74Å; F94-F130 HydrophobicContact CZ-CD2 3.74Å; F94-F130 HydrophobicContact CZ-CE1 4.37Å; F94-F130 HydrophobicContact CZ-CE2 4.2Å; F94-F130 AromaticContact CZ-CG 3.58Å; F94-F130 HydrophobicContact CZ-CG 3.58Å; F94-F130 HydrophobicContact CZ-CZ 4.47Å
95M90.4Very high93.9Very high152 Ų15262 Ų6275%0.74930%0.303SS*.G310 helixtrans-69.9-28.7171.4-58.2-66.2-71.100111.3K92 D93 R100K92-M95 WeakPolarHBondContact O-CB 3.43Å; K92-M95 WeakPolarHBondContact O-CG 3.46Å; K92-M95 PolarHBondContact O-N 2.96Å; D93-M95 PolarHBondContact O-N 3.28Å; M95-R100 PolarHBondContact O-NH1 2.92Å
96C93.9Very high94Very high77 Ų7761.2 Ų61.252%0.5230%0.297SS..SBendtrans-87.6147.7177.9-62.50000111.2D93 F94 E98 G99 R100D93-C96 WeakPolarHBondContact O-CB 2.94Å; D93-C96 PolarHBondContact O-N 2.82Å; F94-C96 VanDerWaalsContact C-N 3.27Å; C96-E98 VanDerWaalsContact C-N 3.26Å; C96-E98 PolarHBondContact O-N 3.09Å; C96-G99 PolarHBondContact O-N 2.77Å; C96-R100 PolarHBondContact O-N 2.81Å; C96-R100 VanDerWaalsContact O-N 3.15Å
97R94.3Very high94.1Very high105 Ų10561 Ų6140%0.39630%0.296SS..Hα-helixtrans-58.9-38.3176.5-170.5176.9-177.893-3.5111.8G99 R100 M101 G136 L137 D140R97-G99 PolarHBondContact O-N 3.42Å; R97-R100 CarbonylContact O-C 3.38Å; R97-R100 PolarHBondContact O-N 2.95Å; R97-M101 WeakPolarHBondContact O-CG 3.13Å; R97-M101 PolarHBondContact O-N 2.95Å; R97-G136 PolarHBondContact NH2-O 3.2Å; R97-L137 HydrophobicContact CG-CD2 3.89Å; R97-D140 IonicContact CZ-OD2 3.99Å; R97-D140 VanDerWaalsContact CZ-OD2 3.28Å; R97-D140 IonicContact NE-OD2 3.99Å; R97-D140 PolarHBondContact NE-OD2 2.95Å; R97-D140 IonicContact NH2-OD2 3.9Å; R97-D140 PolarHBondContact NH2-OD2 3.37Å
98E94.6Very high94.2Very high120 Ų12060.7 Ų60.756%0.56129%0.291SS*.Hα-helixtrans-60.6-43.7177.9-167.4-162.8145.400112.5C96 M101 K102C96-E98 VanDerWaalsContact C-N 3.26Å; C96-E98 PolarHBondContact O-N 3.09Å; E98-M101 WeakPolarHBondContact O-CB 3.43Å; E98-M101 PolarHBondContact O-N 3.3Å; E98-K102 PolarHBondContact O-N 3.46Å; E98-K102 WeakPolarHBondContact OE1-CE 3.48Å; E98-K102 IonicContact OE1-NZ 3.68Å; E98-K102 PolarHBondContact OE1-NZ 3.43Å
99G95.4Very high94.4Very high3 Ų363.8 Ų63.83%0.03130%0.3CS..Hα-helixtrans-64.2-41.4175.500000111.7D93 C96 R97 M101 K102 A103D93-G99 WeakPolarHBondContact O-CA 3.3Å; C96-G99 PolarHBondContact O-N 2.77Å; R97-G99 PolarHBondContact O-N 3.42Å; G99-M101 VanDerWaalsContact C-N 3.31Å; G99-M101 PolarHBondContact O-N 3.12Å; G99-K102 PolarHBondContact O-N 2.97Å; G99-A103 PolarHBondContact O-N 2.93Å
100R96.9Very high94.7Very high38 Ų3865.8 Ų65.814%0.14331%0.306CS..Hα-helixtrans-62-37172.6-64.4-161.6-69.8-849112.4F94 M95 C96 R97 A103 A104 F130 D133 L137F94-R100 HydrophobicContact CD1-CG 4.44Å; F94-R100 HydrophobicContact CD2-CG 4.1Å; F94-R100 HydrophobicContact CE1-CG 4.43Å; F94-R100 HydrophobicContact CE2-CG 4.09Å; F94-R100 HydrophobicContact CG-CG 4.28Å; F94-R100 HydrophobicContact CZ-CG 4.27Å; F94-R100 WeakPolarHBondContact O-CG 3.35Å; F94-R100 PolarHBondContact O-NH1 3.19Å; F94-R100 VanDerWaalsContact O-NH1 3.11Å; M95-R100 PolarHBondContact O-NH1 2.92Å; C96-R100 PolarHBondContact O-N 2.81Å; C96-R100 VanDerWaalsContact O-N 3.15Å; R97-R100 CarbonylContact O-C 3.38Å; R97-R100 PolarHBondContact O-N 2.95Å; R100-A103 PolarHBondContact O-N 3.32Å; R100-A104 WeakPolarHBondContact O-CB 3.22Å; R100-A104 PolarHBondContact O-N 3.33Å; R100-F130 HydrophobicContact CB-CD2 4.09Å; R100-F130 HydrophobicContact CB-CE2 4.07Å; R100-F130 HydrophobicContact CG-CD2 4.24Å; R100-F130 WeakPolarHBondContact O-CE2 3.26Å; R100-D133 IonicContact CZ-OD2 2.99Å; R100-D133 VanDerWaalsContact CZ-OD2 3.3Å; R100-D133 IonicContact NE-OD2 2.68Å; R100-D133 PolarHBondContact NE-OD2 3.47Å; R100-D133 IonicContact NH2-OD2 2.68Å; R100-D133 PolarHBondContact NH2-OD2 3.34Å; R100-L137 HydrophobicContact CB-CD1 3.95Å; R100-L137 HydrophobicContact CB-CD2 4.14Å
101M97.1Very high95Very high23 Ų2355.8 Ų55.811%0.11328%0.279CS..Hα-helixtrans-64.3-42.5174.1-72.717867.300112R97 E98 G99 A104 C105 L137 D140 L141 D144R97-M101 WeakPolarHBondContact O-CG 3.13Å; R97-M101 PolarHBondContact O-N 2.95Å; E98-M101 WeakPolarHBondContact O-CB 3.43Å; E98-M101 PolarHBondContact O-N 3.3Å; G99-M101 VanDerWaalsContact C-N 3.31Å; G99-M101 PolarHBondContact O-N 3.12Å; M101-A104 PolarHBondContact O-N 3.37Å; M101-C105 WeakPolarHBondContact O-CB 3.43Å; M101-C105 PolarHBondContact O-N 3.47Å; M101-L137 HydrophobicContact CG-CD2 3.54Å; M101-D140 HydrophobicContact CE-CB 3.52Å; M101-D140 HydrophobicContact SD-CB 4.05Å; M101-L141 HydrophobicContact CB-CD2 4.22Å; M101-L141 HydrophobicContact CE-CD2 4Å; M101-L141 HydrophobicContact CE-CG 4.21Å; M101-D144 WeakPolarHBondContact CE-OD2 3.42Å
102K97.3Very high95.3Very high86 Ų8654.8 Ų54.837%0.37427%0.272SS..Hα-helixtrans-59.7-48.3174.5-71.1174.7-174.1164.50111V61 E98 G99 A104 C105 N106V61-K102 HydrophobicContact CG1-CB 4.14Å; V61-K102 HydrophobicContact CG1-CD 4.23Å; E98-K102 PolarHBondContact O-N 3.46Å; E98-K102 WeakPolarHBondContact OE1-CE 3.48Å; E98-K102 IonicContact OE1-NZ 3.68Å; E98-K102 PolarHBondContact OE1-NZ 3.43Å; G99-K102 PolarHBondContact O-N 2.97Å; K102-A104 PolarHBondContact O-N 2.98Å; K102-C105 WeakPolarHBondContact O-CB 3.47Å; K102-C105 PolarHBondContact O-N 2.75Å; K102-N106 VanDerWaalsContact O-CG 3.29Å; K102-N106 PolarHBondContact O-N 3.09Å; K102-N106 PolarHBondContact O-ND2 3.49Å
103A97.3Very high95.5Very high0 Ų047.4 Ų47.40%024%0.242CC..Hα-helixtrans-57.7-47175.400000113.1L60 V61 F94 G99 R100 C105 N106 L107 F130L60-A103 HydrophobicContact CB-CB 4.37Å; L60-A103 HydrophobicContact CD2-CB 3.9Å; L60-A103 HydrophobicContact CG-CB 3.75Å; L60-A103 WeakPolarHBondContact O-CA 3.43Å; V61-A103 HydrophobicContact CG2-CB 4.29Å; F94-A103 HydrophobicContact CD2-CB 4.12Å; F94-A103 HydrophobicContact CE2-CB 3.71Å; G99-A103 PolarHBondContact O-N 2.93Å; R100-A103 PolarHBondContact O-N 3.32Å; A103-C105 PolarHBondContact O-N 3.06Å; A103-N106 PolarHBondContact O-N 2.9Å; A103-L107 WeakPolarHBondContact O-CG 3.34Å; A103-L107 PolarHBondContact O-N 3.07Å; A103-L107 VanDerWaalsContact O-N 3.11Å; A103-F130 HydrophobicContact CB-CE2 4.31Å; A103-F130 HydrophobicContact CB-CZ 3.97Å
104A97.5Very high95.8Very high0 Ų043.7 Ų43.70%022%0.222CC..Hα-helixtrans-62.3-42.7177.600000111.7R100 M101 K102 N106 L107 V108 F130 W134 L137 L141R100-A104 WeakPolarHBondContact O-CB 3.22Å; R100-A104 PolarHBondContact O-N 3.33Å; M101-A104 PolarHBondContact O-N 3.37Å; K102-A104 PolarHBondContact O-N 2.98Å; A104-N106 PolarHBondContact O-N 3.4Å; A104-L107 PolarHBondContact O-N 3.43Å; A104-V108 WeakPolarHBondContact O-CB 3.37Å; A104-V108 WeakPolarHBondContact O-CG2 3.45Å; A104-V108 PolarHBondContact O-N 3.27Å; A104-F130 HydrophobicContact CB-CE2 4.15Å; A104-F130 HydrophobicContact CB-CZ 4.1Å; A104-W134 HydrophobicContact CB-CE3 4.15Å; A104-W134 HydrophobicContact CB-CH2 4.08Å; A104-W134 HydrophobicContact CB-CZ3 3.57Å; A104-L137 HydrophobicContact CB-CB 4.28Å; A104-L137 HydrophobicContact CB-CD1 4.35Å; A104-L141 HydrophobicContact CB-CD1 3.95Å
105C97.3Very high96Very high21 Ų2143.1 Ų43.114%0.14222%0.219CC..Hα-helixtrans-57.7-47.4175.7-1740000111.6M101 K102 A103 L107 V108 K109 L141M101-C105 WeakPolarHBondContact O-CB 3.43Å; M101-C105 PolarHBondContact O-N 3.47Å; K102-C105 WeakPolarHBondContact O-CB 3.47Å; K102-C105 PolarHBondContact O-N 2.75Å; A103-C105 PolarHBondContact O-N 3.06Å; C105-L107 PolarHBondContact O-N 3.27Å; C105-V108 PolarHBondContact O-N 3.02Å; C105-K109 WeakPolarHBondContact O-CB 3.44Å; C105-K109 VanDerWaalsContact O-CG 3.29Å; C105-K109 WeakPolarHBondContact O-CG 3.45Å; C105-K109 PolarHBondContact O-N 2.81Å; C105-L141 HydrophobicContact CB-CD1 4.04Å; C105-L141 HydrophobicContact CB-CD2 3.95Å
106N97.7Very high96.4Very high40 Ų4035.9 Ų35.921%0.21418%0.184CC..Hα-helixtrans-60.3-44.5179.3-66.7-26.7000112.2L60 V61 G63 I67 K102 A103 A104 L110L60-N106 PolarHBondContact O-ND2 3.12Å; V61-N106 PolarHBondContact O-ND2 3.24Å; G63-N106 VanDerWaalsContact CA-ND2 3.29Å; G63-N106 WeakPolarHBondContact CA-ND2 3.46Å; G63-N106 PolarHBondContact N-ND2 3.06Å; I67-N106 HydrophobicContact CD1-CB 3.92Å; K102-N106 VanDerWaalsContact O-CG 3.29Å; K102-N106 PolarHBondContact O-N 3.09Å; K102-N106 PolarHBondContact O-ND2 3.49Å; A103-N106 PolarHBondContact O-N 2.9Å; A104-N106 PolarHBondContact O-N 3.4Å; N106-L110 WeakPolarHBondContact O-CG 3.35Å; N106-L110 PolarHBondContact O-N 3.49Å
107L97.4Very high96.6Very high0 Ų032.2 Ų32.20%016%0.159CC..Hα-helixtrans-64.5-46.1177.6-70.4-176.3000112.3A21 L60 A103 A104 C105 K109 L110 G111 I112 F130 W134 L158A21-L107 HydrophobicContact CB-CD2 4.46Å; L60-L107 HydrophobicContact CD1-CD1 4.11Å; L60-L107 HydrophobicContact CD1-CD2 3.62Å; L60-L107 HydrophobicContact CD1-CG 3.86Å; A103-L107 WeakPolarHBondContact O-CG 3.34Å; A103-L107 PolarHBondContact O-N 3.07Å; A103-L107 VanDerWaalsContact O-N 3.11Å; A104-L107 PolarHBondContact O-N 3.43Å; C105-L107 PolarHBondContact O-N 3.27Å; L107-K109 PolarHBondContact O-N 3.05Å; L107-L110 CarbonylContact O-C 3.3Å; L107-L110 PolarHBondContact O-N 2.94Å; L107-G111 PolarHBondContact O-N 3.09Å; L107-I112 HydrophobicContact CB-CB 4.3Å; L107-I112 HydrophobicContact CD2-CB 3.86Å; L107-I112 HydrophobicContact CD2-CD1 3.87Å; L107-I112 HydrophobicContact CD2-CG1 4.48Å; L107-I112 HydrophobicContact CD2-CG2 3.78Å; L107-I112 PolarHBondContact O-N 2.94Å; L107-F130 HydrophobicContact CD1-CE1 3.85Å; L107-F130 HydrophobicContact CD1-CZ 4.28Å; L107-W134 HydrophobicContact CB-CH2 4.09Å; L107-W134 HydrophobicContact CD1-CH2 4.19Å; L107-W134 HydrophobicContact CD1-CZ3 4.21Å; L107-L158 HydrophobicContact CD1-CD1 4.39Å
108V96.8Very high96.7Very high6 Ų627.2 Ų27.24%0.03614%0.14CC..Hα-helixtrans-62.3-43.5-179.6171.20000111.2A104 C105 L110 G111 W134 L138 I147 E151A104-V108 WeakPolarHBondContact O-CB 3.37Å; A104-V108 WeakPolarHBondContact O-CG2 3.45Å; A104-V108 PolarHBondContact O-N 3.27Å; C105-V108 PolarHBondContact O-N 3.02Å; V108-L110 PolarHBondContact O-N 2.83Å; V108-G111 PolarHBondContact O-N 2.67Å; V108-W134 HydrophobicContact CG2-CH2 4.04Å; V108-W134 HydrophobicContact CG2-CZ2 3.86Å; V108-L138 HydrophobicContact CG2-CD2 3.55Å; V108-I147 HydrophobicContact CB-CG2 4.49Å; V108-I147 HydrophobicContact CG1-CB 4.42Å; V108-I147 HydrophobicContact CG1-CD1 4.28Å; V108-I147 HydrophobicContact CG1-CG2 4.06Å; V108-E151 HydrophobicContact CG1-CB 3.82Å
109K95.3Very high96.7Very high104 Ų10421.5 Ų21.545%0.45211%0.113SC..Hα-helixtrans-62.6-29.4178-70.9-61.5-176.3-165.40113.1C105 L107 K146 E151C105-K109 WeakPolarHBondContact O-CB 3.44Å; C105-K109 VanDerWaalsContact O-CG 3.29Å; C105-K109 WeakPolarHBondContact O-CG 3.45Å; C105-K109 PolarHBondContact O-N 2.81Å; L107-K109 PolarHBondContact O-N 3.05Å; K109-K146 WeakPolarHBondContact CE-O 3.2Å; K109-K146 PolarHBondContact NZ-O 3.1Å; K109-K146 VanDerWaalsContact NZ-O 3.09Å; K109-E151 VanDerWaalsContact NZ-CD 3.31Å; K109-E151 IonicContact NZ-OE1 2.86Å; K109-E151 PolarHBondContact NZ-OE1 3.12Å; K109-E151 IonicContact NZ-OE2 3.47Å; K109-E151 PolarHBondContact NZ-OE2 3.1Å
110L95.4Very high96.5Very high73 Ų7321.9 Ų21.938%0.38212%0.117SC..THydrogen-bonded Turntrans-90.3-1175.1-65.3173.1000113.2I67 N106 L107 V108 I112I67-L110 HydrophobicContact CB-CD1 3.91Å; I67-L110 HydrophobicContact CD1-CD1 4.27Å; I67-L110 HydrophobicContact CG2-CD1 3.47Å; I67-L110 VanDerWaalsContact CG2-CD1 3.47Å; N106-L110 WeakPolarHBondContact O-CG 3.35Å; N106-L110 PolarHBondContact O-N 3.49Å; L107-L110 CarbonylContact O-C 3.3Å; L107-L110 PolarHBondContact O-N 2.94Å; V108-L110 PolarHBondContact O-N 2.83Å; L110-I112 VanDerWaalsContact C-N 3.29Å; L110-I112 HydrophobicContact CB-CD1 3.63Å; L110-I112 HydrophobicContact CB-CG1 3.85Å; L110-I112 HydrophobicContact CD1-CD1 3.92Å; L110-I112 HydrophobicContact CG-CD1 4.45Å; L110-I112 PolarHBondContact O-N 3.19Å
111G95.1Very high96.1Very high35 Ų3522.2 Ų22.236%0.36112%0.122SC..THydrogen-bonded Turntrans64.731-176.700000113.3S19 L107 V108S19-G111 VanDerWaalsContact CB-O 3.29Å; S19-G111 WeakPolarHBondContact CB-O 3.35Å; S19-G111 PolarHBondContact OG-O 3.3Å; L107-G111 PolarHBondContact O-N 3.09Å; V108-G111 PolarHBondContact O-N 2.67Å
112I96.8Very high95.7Very high0 Ų023.4 Ų23.40%014%0.14CC..  trans-91.2113.9-179.5-59.4165.3000109.6A21 F51 I67 L107 L110A21-I112 HydrophobicContact CB-CD1 4.32Å; A21-I112 HydrophobicContact CB-CG2 3.69Å; F51-I112 HydrophobicContact CB-CD1 4.2Å; F51-I112 HydrophobicContact CD1-CD1 4.43Å; F51-I112 HydrophobicContact CD2-CD1 3.78Å; F51-I112 HydrophobicContact CD2-CG1 3.91Å; F51-I112 HydrophobicContact CE2-CD1 4.24Å; F51-I112 HydrophobicContact CE2-CG1 4.08Å; F51-I112 HydrophobicContact CG-CD1 3.89Å; I67-I112 HydrophobicContact CG2-CD1 4.09Å; L107-I112 HydrophobicContact CB-CB 4.3Å; L107-I112 HydrophobicContact CD2-CB 3.86Å; L107-I112 HydrophobicContact CD2-CD1 3.87Å; L107-I112 HydrophobicContact CD2-CG1 4.48Å; L107-I112 HydrophobicContact CD2-CG2 3.78Å; L107-I112 PolarHBondContact O-N 2.94Å; L110-I112 VanDerWaalsContact C-N 3.29Å; L110-I112 HydrophobicContact CB-CD1 3.63Å; L110-I112 HydrophobicContact CB-CG1 3.85Å; L110-I112 HydrophobicContact CD1-CD1 3.92Å; L110-I112 HydrophobicContact CG-CD1 4.45Å; L110-I112 PolarHBondContact O-N 3.19Å
113T94.9Very high95.5Very high21 Ų2119.9 Ų19.913%0.12913%0.126CC..  trans-117.30.1178.555.40000113.3N159T113-N159 PolarHBondContact O-N 3.35Å
114N97.4Very high95.2Very high1 Ų119.9 Ų19.91%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-126.9122.3-179.4-54.5-81.7000109.2S19 I20 A21 N159 L326S19-N114 WeakPolarHBondContact O-CB 3.38Å; S19-N114 PolarHBondContact O-N 3.33Å; S19-N114 PolarHBondContact O-ND2 2.64Å; I20-N114 CarbonylContact C-O 3.04Å; I20-N114 WeakPolarHBondContact CA-O 3.48Å; I20-N114 HydrophobicContact CB-CB 4.47Å; I20-N114 HydrophobicContact CG1-CB 3.98Å; A21-N114 PolarHBondContact N-O 2.99Å; N114-N159 WeakPolarHBondContact OD1-CB 3.24Å; N114-N159 PolarHBondContact OD1-ND2 2.79Å; N114-L326 HydrophobicContact CB-CB 4.25Å; N114-L326 HydrophobicContact CB-CD1 4.15Å; N114-L326 HydrophobicContact CB-CD2 4.07Å; N114-L326 HydrophobicContact CB-CG 4.38Å; N114-L326 PolarHBondContact OD1-O 2.69Å
115L97.8Very high94.9Very high0 Ų021.9 Ų21.90%014%0.139CC..EExtended strand (participates in β ladder)trans-121.8121.2-176.2-17465.6000110.6A21 L23 V117 F130 L158 N159 I160 V161A21-L115 HydrophobicContact CB-CD1 3.78Å; L23-L115 HydrophobicContact CD2-CD1 4.04Å; L115-V117 HydrophobicContact CD2-CG2 4Å; L115-V117 HydrophobicContact CG-CG2 3.88Å; L115-F130 HydrophobicContact CD2-CD1 4.38Å; L115-L158 HydrophobicContact CB-CD1 4.27Å; L115-N159 PolarHBondContact N-O 2.99Å; L115-I160 HydrophobicContact CB-CG1 4.37Å; L115-I160 WeakPolarHBondContact O-CA 3.49Å; L115-V161 PolarHBondContact O-N 2.77Å
116C98Very high94.7Very high0 Ų022 Ų220%014%0.143CC..EExtended strand (participates in β ladder)trans-103113.9174.8-176.40000109.4A21 V22 L23 T39 V161 M163 L326A21-C116 PolarHBondContact O-N 3.18Å; V22-C116 WeakPolarHBondContact CA-O 3.29Å; V22-C116 HydrophobicContact CB-CB 4.27Å; V22-C116 HydrophobicContact CG2-CB 4.25Å; L23-C116 PolarHBondContact N-O 3.12Å; T39-C116 HydrophobicContact CG2-CB 4.1Å; C116-V161 WeakPolarHBondContact CA-O 3.1Å; C116-V161 HydrophobicContact CB-CG1 3.98Å; C116-M163 WeakPolarHBondContact SG-CE 3.01Å; C116-L326 HydrophobicContact CB-CD1 4.12Å
117V97.9Very high94.5Very high0 Ų020.1 Ų20.10%013%0.133CC..EExtended strand (participates in β ladder)trans-110.2117.8-177.6-178.20000109.7L23 L115 L124 A127 V161 G162 M163L23-V117 HydrophobicContact CD1-CG1 3.89Å; L23-V117 HydrophobicContact CD1-CG2 4.41Å; L23-V117 HydrophobicContact CD2-CG2 4.42Å; L23-V117 HydrophobicContact CG-CG2 4.22Å; L115-V117 HydrophobicContact CD2-CG2 4Å; L115-V117 HydrophobicContact CG-CG2 3.88Å; V117-L124 HydrophobicContact CB-CD2 4.3Å; V117-L124 HydrophobicContact CG1-CD2 4.18Å; V117-A127 HydrophobicContact CB-CB 4.39Å; V117-A127 HydrophobicContact CG2-CB 3.88Å; V117-V161 PolarHBondContact N-O 3.4Å; V117-G162 CarbonylContact O-C 3.6Å; V117-G162 WeakPolarHBondContact O-CA 3.49Å; V117-M163 PolarHBondContact O-N 2.93Å
118I97.6Very high94.4Very high0 Ų021.2 Ų21.20%014%0.139CC..EExtended strand (participates in β ladder)trans-104.6116.5174.5-57.8159.2000108.2V22 L23 T24 S25 M32 A35 V36 M163V22-I118 HydrophobicContact CG2-CD1 3.86Å; L23-I118 PolarHBondContact O-N 3Å; T24-I118 CarbonylContact C-O 3.56Å; T24-I118 VanDerWaalsContact CA-O 3.27Å; T24-I118 WeakPolarHBondContact CA-O 3.37Å; T24-I118 HydrophobicContact CG2-CB 3.99Å; T24-I118 HydrophobicContact CG2-CD1 4.31Å; T24-I118 HydrophobicContact CG2-CG2 4.27Å; S25-I118 PolarHBondContact N-O 2.94Å; M32-I118 HydrophobicContact CB-CG2 4.31Å; M32-I118 HydrophobicContact CG-CG2 3.83Å; M32-I118 HydrophobicContact SD-CG2 4.49Å; A35-I118 HydrophobicContact CB-CD1 3.76Å; A35-I118 HydrophobicContact CB-CG1 4.37Å; V36-I118 HydrophobicContact CB-CD1 4.46Å; V36-I118 HydrophobicContact CG2-CD1 3.53Å; I118-M163 WeakPolarHBondContact CA-O 3.27Å; I118-M163 HydrophobicContact CD1-CE 3.82Å; I118-M163 HydrophobicContact CG1-CB 4.13Å; I118-M163 HydrophobicContact CG1-CE 3.52Å; I118-M163 HydrophobicContact CG1-SD 4.43Å
119G94.6Very high94.2Very high0 Ų025.2 Ų25.20%016%0.157CC..EExtended strand (participates in β ladder)trans176.1-169.3-178.200000114.2S25 M163 V164 G165S25-G119 WeakPolarHBondContact O-CA 3.49Å; G119-M163 PolarHBondContact N-O 2.84Å; G119-V164 WeakPolarHBondContact O-CA 3.25Å; G119-G165 CarbonylContact C-O 3.55Å; G119-G165 PolarHBondContact O-N 2.91Å
120G91.6Very high94.2Very high11 Ų1120.2 Ų20.211%0.11314%0.136CC..  trans-78.9179.617600000113.7G122 S123 L124G120-G122 VanDerWaalsContact C-N 3.31Å; G120-G122 PolarHBondContact O-N 3.27Å; G120-S123 PolarHBondContact O-N 3.49Å; G120-S123 VanDerWaalsContact O-N 3.13Å; G120-L124 WeakPolarHBondContact O-CG 3.4Å; G120-L124 PolarHBondContact O-N 2.93Å; G120-L124 VanDerWaalsContact O-N 3.13Å
121D87.2Confident94.2Very high46 Ų4619.5 Ų19.525%0.24613%0.128CC..Hα-helixtrans-49.6-44.8177.769.4-45.4000114L124 T125 F171 R212D121-L124 PolarHBondContact O-N 2.86Å; D121-T125 WeakPolarHBondContact O-CB 3.43Å; D121-T125 PolarHBondContact O-N 3.39Å; D121-T125 PolarHBondContact O-OG1 2.94Å; D121-F171 HydrophobicContact CB-CD2 4.12Å; D121-R212 IonicContact OD1-NH1 2.66Å; D121-R212 PolarHBondContact OD1-NH1 2.9Å; D121-R212 VanDerWaalsContact OD1-NH1 3.1Å
122G88.6Confident94.1Very high47 Ų4722.2 Ų22.249%0.48514%0.138SC..Hα-helixtrans-63.7-42.8179.200000112.8G120 T125 G126G120-G122 VanDerWaalsContact C-N 3.31Å; G120-G122 PolarHBondContact O-N 3.27Å; G122-T125 PolarHBondContact O-N 2.89Å; G122-G126 PolarHBondContact O-N 3.46Å
123S92.7Very high94Very high12 Ų1223.4 Ų23.48%0.08414%0.144CC..Hα-helixtrans-65.9-39.6178.6-61.70000111.8S25 G26 Y57 G120 G126 A127S25-S123 VanDerWaalsContact C-OG 3.29Å; S25-S123 VanDerWaalsContact CB-OG 3.3Å; S25-S123 WeakPolarHBondContact CB-OG 3.37Å; S25-S123 PolarHBondContact O-OG 2.98Å; S25-S123 PolarHBondContact OG-OG 3.36Å; G26-S123 PolarHBondContact N-OG 3.3Å; Y57-S123 PolarHBondContact OH-O 3.38Å; G120-S123 PolarHBondContact O-N 3.49Å; G120-S123 VanDerWaalsContact O-N 3.13Å; S123-G126 PolarHBondContact O-N 3.3Å; S123-A127 PolarHBondContact O-N 3.36Å
124L92.8Very high94.1Very high0 Ų022.6 Ų22.60%014%0.139CC..Hα-helixtrans-68.6-38.9177.1-64.4-179.7000112.1V117 G120 D121 A127 N128 G162 V164 F171 V337 L350V117-L124 HydrophobicContact CB-CD2 4.3Å; V117-L124 HydrophobicContact CG1-CD2 4.18Å; G120-L124 WeakPolarHBondContact O-CG 3.4Å; G120-L124 PolarHBondContact O-N 2.93Å; G120-L124 VanDerWaalsContact O-N 3.13Å; D121-L124 PolarHBondContact O-N 2.86Å; L124-A127 WeakPolarHBondContact O-CB 3.48Å; L124-A127 PolarHBondContact O-N 3.36Å; L124-N128 PolarHBondContact O-N 3.31Å; L124-G162 VanDerWaalsContact CD2-CA 3.43Å; L124-V164 HydrophobicContact CD1-CG2 3.94Å; L124-F171 HydrophobicContact CD1-CE2 3.91Å; L124-F171 HydrophobicContact CD1-CZ 4.12Å; L124-V337 HydrophobicContact CD1-CG1 4.4Å; L124-V337 HydrophobicContact CD1-CG2 4.03Å; L124-L350 HydrophobicContact CB-CD1 4.07Å; L124-L350 HydrophobicContact CB-CG 4.4Å
125T91.1Very high93.9Very high43 Ų4324.9 Ų24.926%0.26416%0.162SC..Hα-helixtrans-62.5-44.8174-55.60000111.1D121 G122 A127 N128 Q129D121-T125 WeakPolarHBondContact O-CB 3.43Å; D121-T125 PolarHBondContact O-N 3.39Å; D121-T125 PolarHBondContact O-OG1 2.94Å; G122-T125 PolarHBondContact O-N 2.89Å; T125-A127 VanDerWaalsContact C-N 3.28Å; T125-A127 PolarHBondContact O-N 3.36Å; T125-N128 PolarHBondContact O-N 3.25Å; T125-Q129 PolarHBondContact O-N 2.97Å
126G92.5Very high93.8Very high23 Ų2326.3 Ų26.324%0.23718%0.177CC..Hα-helixtrans-60.9-36.9175.100000112.9G122 S123 Q129 F130G122-G126 PolarHBondContact O-N 3.46Å; S123-G126 PolarHBondContact O-N 3.3Å; G126-Q129 PolarHBondContact O-N 3.13Å; G126-F130 WeakPolarHBondContact O-CB 3.4Å; G126-F130 PolarHBondContact O-N 3.12Å
127A94.3Very high93.8Very high0 Ų026.3 Ų26.30%018%0.177CC..Hα-helixtrans-62-50.2175.500000110.3Y57 V117 S123 L124 T125 Q129 F130 R131 I160Y57-A127 VanDerWaalsContact OH-CA 3.32Å; Y57-A127 WeakPolarHBondContact OH-CA 3.27Å; Y57-A127 VanDerWaalsContact OH-CB 3.31Å; Y57-A127 WeakPolarHBondContact OH-CB 3.39Å; Y57-A127 PolarHBondContact OH-N 2.77Å; V117-A127 HydrophobicContact CB-CB 4.39Å; V117-A127 HydrophobicContact CG2-CB 3.88Å; S123-A127 PolarHBondContact O-N 3.36Å; L124-A127 WeakPolarHBondContact O-CB 3.48Å; L124-A127 PolarHBondContact O-N 3.36Å; T125-A127 VanDerWaalsContact C-N 3.28Å; T125-A127 PolarHBondContact O-N 3.36Å; A127-Q129 VanDerWaalsContact C-N 3.34Å; A127-Q129 PolarHBondContact O-N 3.5Å; A127-F130 WeakPolarHBondContact O-CB 3.37Å; A127-F130 PolarHBondContact O-N 2.96Å; A127-F130 VanDerWaalsContact O-N 3.09Å; A127-R131 PolarHBondContact O-N 2.96Å; A127-I160 VanDerWaalsContact C-CD1 3.47Å; A127-I160 HydrophobicContact CB-CD1 3.99Å; A127-I160 HydrophobicContact CB-CG2 3.88Å; A127-I160 WeakPolarHBondContact O-CD1 3.35Å
128N93.3Very high93.7Very high23 Ų2326.8 Ų26.812%0.12318%0.18CC..Hα-helixtrans-61.6-41.2179.5-173.773.4000112.5L124 T125 F130 R131 T132 L350 M351L124-N128 PolarHBondContact O-N 3.31Å; T125-N128 PolarHBondContact O-N 3.25Å; N128-F130 VanDerWaalsContact C-N 3.28Å; N128-F130 PolarHBondContact O-N 3.04Å; N128-R131 PolarHBondContact O-N 3.44Å; N128-T132 PolarHBondContact O-N 2.94Å; N128-T132 PolarHBondContact O-OG1 2.9Å; N128-T132 VanDerWaalsContact O-OG1 3.12Å; N128-L350 HydrophobicContact CB-CD1 4.47Å; N128-L350 HydrophobicContact CB-CD2 3.83Å; N128-M351 HydrophobicContact CB-SD 4.05Å; N128-M351 WeakPolarHBondContact ND2-CG 3.34Å; N128-M351 PolarHBondContact ND2-SD 3.34Å
129Q93.6Very high93.6Very high90 Ų9029.7 Ų29.742%0.42120%0.203SC..Hα-helixtrans-59.5-41.8174.3-173.162.752.200111.6T125 G126 A127 R131 T132 D133T125-Q129 PolarHBondContact O-N 2.97Å; G126-Q129 PolarHBondContact O-N 3.13Å; A127-Q129 VanDerWaalsContact C-N 3.34Å; A127-Q129 PolarHBondContact O-N 3.5Å; Q129-R131 VanDerWaalsContact C-N 3.34Å; Q129-R131 PolarHBondContact O-N 3.45Å; Q129-T132 PolarHBondContact O-N 3.49Å; Q129-D133 PolarHBondContact NE2-OD1 3.27Å; Q129-D133 WeakPolarHBondContact O-CB 3.41Å; Q129-D133 PolarHBondContact O-N 3.4Å
130F95.9Very high93.6Very high0 Ų032 Ų320%022%0.216CC..Hα-helixtrans-63-39.3178.4-174.5-130.9000112.7L60 F94 R100 A103 A104 L107 L115 G126 A127 N128 W134 L137 L158L60-F130 HydrophobicContact CD2-CE1 4.07Å; L60-F130 HydrophobicContact CD2-CZ 4.47Å; F94-F130 HydrophobicContact CE1-CB 4.24Å; F94-F130 HydrophobicContact CE1-CG 4.45Å; F94-F130 HydrophobicContact CE2-CD2 4.11Å; F94-F130 HydrophobicContact CE2-CE2 4.13Å; F94-F130 HydrophobicContact CE2-CG 4.31Å; F94-F130 HydrophobicContact CE2-CZ 4.34Å; F94-F130 HydrophobicContact CZ-CB 3.83Å; F94-F130 AromaticContact CZ-CD1 3.93Å; F94-F130 HydrophobicContact CZ-CD1 3.93Å; F94-F130 AromaticContact CZ-CD2 3.74Å; F94-F130 HydrophobicContact CZ-CD2 3.74Å; F94-F130 HydrophobicContact CZ-CE1 4.37Å; F94-F130 HydrophobicContact CZ-CE2 4.2Å; F94-F130 AromaticContact CZ-CG 3.58Å; F94-F130 HydrophobicContact CZ-CG 3.58Å; F94-F130 HydrophobicContact CZ-CZ 4.47Å; R100-F130 HydrophobicContact CB-CD2 4.09Å; R100-F130 HydrophobicContact CB-CE2 4.07Å; R100-F130 HydrophobicContact CG-CD2 4.24Å; R100-F130 WeakPolarHBondContact O-CE2 3.26Å; A103-F130 HydrophobicContact CB-CE2 4.31Å; A103-F130 HydrophobicContact CB-CZ 3.97Å; A104-F130 HydrophobicContact CB-CE2 4.15Å; A104-F130 HydrophobicContact CB-CZ 4.1Å; L107-F130 HydrophobicContact CD1-CE1 3.85Å; L107-F130 HydrophobicContact CD1-CZ 4.28Å; L115-F130 HydrophobicContact CD2-CD1 4.38Å; G126-F130 WeakPolarHBondContact O-CB 3.4Å; G126-F130 PolarHBondContact O-N 3.12Å; A127-F130 WeakPolarHBondContact O-CB 3.37Å; A127-F130 PolarHBondContact O-N 2.96Å; A127-F130 VanDerWaalsContact O-N 3.09Å; N128-F130 VanDerWaalsContact C-N 3.28Å; N128-F130 PolarHBondContact O-N 3.04Å; F130-W134 HydrophobicContact CE1-CE3 4.21Å; F130-W134 AromaticContact CE1-CZ3 3.84Å; F130-W134 HydrophobicContact CE1-CZ3 3.84Å; F130-W134 HydrophobicContact CE2-CE3 4.28Å; F130-W134 HydrophobicContact CE2-CZ3 4.22Å; F130-W134 HydrophobicContact CZ-CE3 4Å; F130-W134 AromaticContact CZ-CZ3 3.56Å; F130-W134 HydrophobicContact CZ-CZ3 3.56Å; F130-W134 PolarHBondContact O-N 3.26Å; F130-W134 VanDerWaalsContact O-N 3.14Å; F130-L137 HydrophobicContact CD2-CD1 3.83Å; F130-L137 HydrophobicContact CE2-CD1 3.69Å; F130-L158 HydrophobicContact CD1-CD2 3.56Å; F130-L158 HydrophobicContact CE1-CD2 3.74Å; F130-L158 HydrophobicContact CG-CD2 4.44Å
131R94.6Very high93.8Very high57 Ų5731.5 Ų31.522%0.21521%0.211CC..Hα-helixtrans-63.9-43.8172.1172.6175.4-179.9-96.2-5.3112.5A127 N128 Q129 D133 W134 L158 I160 P331 T333A127-R131 PolarHBondContact O-N 2.96Å; N128-R131 PolarHBondContact O-N 3.44Å; Q129-R131 VanDerWaalsContact C-N 3.34Å; Q129-R131 PolarHBondContact O-N 3.45Å; R131-D133 VanDerWaalsContact C-N 3.35Å; R131-W134 WeakPolarHBondContact O-CB 3.31Å; R131-W134 PolarHBondContact O-N 3.06Å; R131-L158 VanDerWaalsContact CD-O 3.29Å; R131-L158 WeakPolarHBondContact CD-O 3.46Å; R131-L158 WeakPolarHBondContact CG-O 3.45Å; R131-L158 PolarHBondContact NE-O 3.34Å; R131-I160 HydrophobicContact CB-CD1 3.53Å; R131-I160 HydrophobicContact CB-CG1 4.08Å; R131-P331 PolarHBondContact NH2-O 3.45Å; R131-T333 PolarHBondContact NH2-O 3.2Å
132T93.4Very high94.2Very high93 Ų9330.8 Ų30.857%0.57121%0.208SC*.Hα-helixtrans-64.1-41.1178.6-57.60000111.7N128 Q129 W134N128-T132 PolarHBondContact O-N 2.94Å; N128-T132 PolarHBondContact O-OG1 2.9Å; N128-T132 VanDerWaalsContact O-OG1 3.12Å; Q129-T132 PolarHBondContact O-N 3.49Å; T132-W134 PolarHBondContact O-N 3.48Å
133D94.9Very high94.5Very high25 Ų2537 Ų3713%0.13422%0.222CC..Hα-helixtrans-72.5-16.3179-72.6-0.9000112.7R100 Q129 R131 G135 G136 L137R100-D133 IonicContact CZ-OD2 2.99Å; R100-D133 VanDerWaalsContact CZ-OD2 3.3Å; R100-D133 IonicContact NE-OD2 2.68Å; R100-D133 PolarHBondContact NE-OD2 3.47Å; R100-D133 IonicContact NH2-OD2 2.68Å; R100-D133 PolarHBondContact NH2-OD2 3.34Å; Q129-D133 PolarHBondContact NE2-OD1 3.27Å; Q129-D133 WeakPolarHBondContact O-CB 3.41Å; Q129-D133 PolarHBondContact O-N 3.4Å; R131-D133 VanDerWaalsContact C-N 3.35Å; D133-G135 PolarHBondContact O-N 2.74Å; D133-G136 PolarHBondContact O-N 2.85Å; D133-L137 HydrophobicContact CB-CD1 3.93Å; D133-L137 HydrophobicContact CB-CG 4.08Å; D133-L137 WeakPolarHBondContact O-CG 3.4Å; D133-L137 PolarHBondContact O-N 3.07Å
134W95.8Very high94.6Very high4 Ų440.8 Ų40.82%0.01524%0.241CC..Hα-helixtrans-50.3-53.1-165.6-172.6-105.7000114.2A104 L107 V108 F130 R131 T132 G136 L137 L138 S155 L158A104-W134 HydrophobicContact CB-CE3 4.15Å; A104-W134 HydrophobicContact CB-CH2 4.08Å; A104-W134 HydrophobicContact CB-CZ3 3.57Å; L107-W134 HydrophobicContact CB-CH2 4.09Å; L107-W134 HydrophobicContact CD1-CH2 4.19Å; L107-W134 HydrophobicContact CD1-CZ3 4.21Å; V108-W134 HydrophobicContact CG2-CH2 4.04Å; V108-W134 HydrophobicContact CG2-CZ2 3.86Å; F130-W134 HydrophobicContact CE1-CE3 4.21Å; F130-W134 AromaticContact CE1-CZ3 3.84Å; F130-W134 HydrophobicContact CE1-CZ3 3.84Å; F130-W134 HydrophobicContact CE2-CE3 4.28Å; F130-W134 HydrophobicContact CE2-CZ3 4.22Å; F130-W134 HydrophobicContact CZ-CE3 4Å; F130-W134 AromaticContact CZ-CZ3 3.56Å; F130-W134 HydrophobicContact CZ-CZ3 3.56Å; F130-W134 PolarHBondContact O-N 3.26Å; F130-W134 VanDerWaalsContact O-N 3.14Å; R131-W134 WeakPolarHBondContact O-CB 3.31Å; R131-W134 PolarHBondContact O-N 3.06Å; T132-W134 PolarHBondContact O-N 3.48Å; W134-G136 VanDerWaalsContact C-N 3.29Å; W134-G136 PolarHBondContact O-N 2.68Å; W134-L137 WeakPolarHBondContact O-CB 3.24Å; W134-L137 PolarHBondContact O-N 3.17Å; W134-L137 VanDerWaalsContact O-N 3.12Å; W134-L138 HydrophobicContact CZ2-CD2 4.21Å; W134-L138 WeakPolarHBondContact O-CG 3.36Å; W134-L138 PolarHBondContact O-N 3.29Å; W134-S155 PolarHBondContact NE1-O 2.89Å; W134-L158 HydrophobicContact CB-CB 4.45Å; W134-L158 HydrophobicContact CD2-CB 3.66Å; W134-L158 HydrophobicContact CD2-CD2 4.21Å; W134-L158 HydrophobicContact CD2-CG 4.45Å; W134-L158 HydrophobicContact CE3-CB 4.05Å; W134-L158 HydrophobicContact CE3-CD2 3.7Å; W134-L158 HydrophobicContact CE3-CG 4.36Å; W134-L158 HydrophobicContact CG-CB 3.83Å; W134-L158 HydrophobicContact CH2-CD1 4.35Å; W134-L158 HydrophobicContact CZ2-CB 4.41Å; W134-L158 HydrophobicContact CZ3-CD1 4.42Å; W134-L158 HydrophobicContact CZ3-CD2 3.94Å
135G94.3Very high94.6Very high48 Ų4843.9 Ų43.950%0.49527%0.272SS..Hα-helixtrans-60.4-38.4-178.900000113D133 L138 A139D133-G135 PolarHBondContact O-N 2.74Å; G135-L138 PolarHBondContact O-N 2.7Å; G135-A139 PolarHBondContact O-N 2.83Å; G135-A139 VanDerWaalsContact O-N 3.13Å
136G95.9Very high94.8Very high31 Ų3146.7 Ų46.732%0.3228%0.281SS..Hα-helixtrans-69.2-39.1175.200000112.6R97 D133 W134 L138 A139 D140R97-G136 PolarHBondContact NH2-O 3.2Å; D133-G136 PolarHBondContact O-N 2.85Å; W134-G136 VanDerWaalsContact C-N 3.29Å; W134-G136 PolarHBondContact O-N 2.68Å; G136-L138 VanDerWaalsContact C-N 3.33Å; G136-L138 PolarHBondContact O-N 3.42Å; G136-A139 PolarHBondContact O-N 3.28Å; G136-D140 VanDerWaalsContact O-CG 3.28Å; G136-D140 PolarHBondContact O-N 3.21Å
137L96.6Very high94.9Very high0 Ų045.9 Ų45.90%027%0.271CS..Hα-helixtrans-62.9-40.5175.8-62.4171.5000111.4R97 R100 M101 A104 F130 D133 W134 D140 L141R97-L137 HydrophobicContact CG-CD2 3.89Å; R100-L137 HydrophobicContact CB-CD1 3.95Å; R100-L137 HydrophobicContact CB-CD2 4.14Å; M101-L137 HydrophobicContact CG-CD2 3.54Å; A104-L137 HydrophobicContact CB-CB 4.28Å; A104-L137 HydrophobicContact CB-CD1 4.35Å; F130-L137 HydrophobicContact CD2-CD1 3.83Å; F130-L137 HydrophobicContact CE2-CD1 3.69Å; D133-L137 HydrophobicContact CB-CD1 3.93Å; D133-L137 HydrophobicContact CB-CG 4.08Å; D133-L137 WeakPolarHBondContact O-CG 3.4Å; D133-L137 PolarHBondContact O-N 3.07Å; W134-L137 WeakPolarHBondContact O-CB 3.24Å; W134-L137 PolarHBondContact O-N 3.17Å; W134-L137 VanDerWaalsContact O-N 3.12Å; L137-D140 PolarHBondContact O-N 3.45Å; L137-L141 WeakPolarHBondContact O-CB 3.15Å; L137-L141 VanDerWaalsContact O-CG 3.22Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.07Å
138L95.9Very high94.9Very high10 Ų1049.3 Ų49.35%0.05229%0.292CS..Hα-helixtrans-64.9-42.9176-65.4-175.9000112.1V108 W134 G135 G136 D140 L141 V142 I147 S155V108-L138 HydrophobicContact CG2-CD2 3.55Å; W134-L138 HydrophobicContact CZ2-CD2 4.21Å; W134-L138 WeakPolarHBondContact O-CG 3.36Å; W134-L138 PolarHBondContact O-N 3.29Å; G135-L138 PolarHBondContact O-N 2.7Å; G136-L138 VanDerWaalsContact C-N 3.33Å; G136-L138 PolarHBondContact O-N 3.42Å; L138-D140 VanDerWaalsContact C-N 3.31Å; L138-D140 PolarHBondContact O-N 2.87Å; L138-L141 PolarHBondContact O-N 3.19Å; L138-V142 WeakPolarHBondContact O-CG2 3.38Å; L138-V142 PolarHBondContact O-N 2.86Å; L138-I147 HydrophobicContact CB-CD1 4.49Å; L138-I147 HydrophobicContact CD2-CD1 3.77Å; L138-S155 WeakPolarHBondContact CD1-O 3.41Å
139A95.4Very high94.9Very high60 Ų6054.9 Ų54.950%0.49632%0.317SS..Hα-helixtrans-59.5-43.8177.100000111.6G135 G136 V142 K143G135-A139 PolarHBondContact O-N 2.83Å; G135-A139 VanDerWaalsContact O-N 3.13Å; G136-A139 PolarHBondContact O-N 3.28Å; A139-V142 PolarHBondContact O-N 3.32Å; A139-K143 WeakPolarHBondContact O-CB 3.26Å; A139-K143 PolarHBondContact O-N 3.03Å
140D95.5Very high94.9Very high49 Ų4956.3 Ų56.326%0.26232%0.324SS..Hα-helixtrans-64.6-44.2176.4-65.2-24.3000111.2R97 M101 G136 L137 L138 V142 K143 D144R97-D140 IonicContact CZ-OD2 3.99Å; R97-D140 VanDerWaalsContact CZ-OD2 3.28Å; R97-D140 IonicContact NE-OD2 3.99Å; R97-D140 PolarHBondContact NE-OD2 2.95Å; R97-D140 IonicContact NH2-OD2 3.9Å; R97-D140 PolarHBondContact NH2-OD2 3.37Å; M101-D140 HydrophobicContact CE-CB 3.52Å; M101-D140 HydrophobicContact SD-CB 4.05Å; G136-D140 VanDerWaalsContact O-CG 3.28Å; G136-D140 PolarHBondContact O-N 3.21Å; L137-D140 PolarHBondContact O-N 3.45Å; L138-D140 VanDerWaalsContact C-N 3.31Å; L138-D140 PolarHBondContact O-N 2.87Å; D140-V142 VanDerWaalsContact C-N 3.34Å; D140-V142 PolarHBondContact O-N 3.11Å; D140-K143 WeakPolarHBondContact O-CB 3.21Å; D140-K143 PolarHBondContact O-N 3.32Å; D140-D144 WeakPolarHBondContact O-CB 3.46Å; D140-D144 PolarHBondContact O-N 2.92Å
141L95.7Very high94.8Very high1 Ų158.8 Ų58.81%0.00534%0.335CS..Hα-helixtrans-64.8-34.4179.1-73.8170.9000113.5M101 A104 C105 L137 L138 G145 K146 I147M101-L141 HydrophobicContact CB-CD2 4.22Å; M101-L141 HydrophobicContact CE-CD2 4Å; M101-L141 HydrophobicContact CE-CG 4.21Å; A104-L141 HydrophobicContact CB-CD1 3.95Å; C105-L141 HydrophobicContact CB-CD1 4.04Å; C105-L141 HydrophobicContact CB-CD2 3.95Å; L137-L141 WeakPolarHBondContact O-CB 3.15Å; L137-L141 VanDerWaalsContact O-CG 3.22Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.07Å; L138-L141 PolarHBondContact O-N 3.19Å; L141-G145 PolarHBondContact O-N 3.48Å; L141-K146 HydrophobicContact CD2-CB 4.05Å; L141-K146 HydrophobicContact CD2-CD 3.87Å; L141-K146 PolarHBondContact O-N 2.77Å; L141-I147 HydrophobicContact CB-CD1 3.68Å; L141-I147 HydrophobicContact CB-CG1 3.75Å; L141-I147 HydrophobicContact CB-CG2 4.48Å; L141-I147 HydrophobicContact CD1-CD1 4.22Å; L141-I147 PolarHBondContact O-N 3.27Å
142V95.9Very high94.6Very high30 Ų3056.6 Ų56.618%0.18233%0.33CS..Hα-helixtrans-69.4-43.5173.61720000110.4L138 A139 D140 D144 G145 I147 Q149 A152L138-V142 WeakPolarHBondContact O-CG2 3.38Å; L138-V142 PolarHBondContact O-N 2.86Å; A139-V142 PolarHBondContact O-N 3.32Å; D140-V142 VanDerWaalsContact C-N 3.34Å; D140-V142 PolarHBondContact O-N 3.11Å; V142-D144 VanDerWaalsContact C-N 3.27Å; V142-D144 PolarHBondContact O-N 3.45Å; V142-G145 PolarHBondContact O-N 3.44Å; V142-I147 HydrophobicContact CG2-CD1 4.02Å; V142-I147 HydrophobicContact CG2-CG1 3.66Å; V142-Q149 HydrophobicContact CG1-CG 4.01Å; V142-A152 HydrophobicContact CG2-CB 3.73Å
143K95Very high94.6Very high179 Ų17960.3 Ų60.378%0.77834%0.338SS*.Hα-helixtrans-60.3-39.3176.6-175.8-175.8176-173.20111.7A139 D140 G145A139-K143 WeakPolarHBondContact O-CB 3.26Å; A139-K143 PolarHBondContact O-N 3.03Å; D140-K143 WeakPolarHBondContact O-CB 3.21Å; D140-K143 PolarHBondContact O-N 3.32Å; K143-G145 PolarHBondContact O-N 3.26Å
144D94.1Very high94.4Very high91 Ų9166 Ų6649%0.48736%0.362SS..THydrogen-bonded Turntrans-76.6-2.2176.6-71.2-3.3000113.5M101 D140 V142 K146M101-D144 WeakPolarHBondContact CE-OD2 3.42Å; D140-D144 WeakPolarHBondContact O-CB 3.46Å; D140-D144 PolarHBondContact O-N 2.92Å; V142-D144 VanDerWaalsContact C-N 3.27Å; V142-D144 PolarHBondContact O-N 3.45Å; D144-K146 HydrophobicContact CB-CD 4.48Å; D144-K146 HydrophobicContact CB-CG 4.16Å; D144-K146 PolarHBondContact O-N 3.13Å
145G93.3Very high94.3Very high64 Ų6466 Ų6666%0.6636%0.362SS*.THydrogen-bonded Turntrans68.414.4-179.300000114.8L141 V142 K143L141-G145 PolarHBondContact O-N 3.48Å; V142-G145 PolarHBondContact O-N 3.44Å; K143-G145 PolarHBondContact O-N 3.26Å
146K94.1Very high94.1Very high102 Ų10267 Ų6744%0.44336%0.362SS..SBendtrans-78.5-30.3-179.3-66.7-173.1-179.6172.20112.7K109 L141 D144K109-K146 WeakPolarHBondContact CE-O 3.2Å; K109-K146 PolarHBondContact NZ-O 3.1Å; K109-K146 VanDerWaalsContact NZ-O 3.09Å; L141-K146 HydrophobicContact CD2-CB 4.05Å; L141-K146 HydrophobicContact CD2-CD 3.87Å; L141-K146 PolarHBondContact O-N 2.77Å; D144-K146 HydrophobicContact CB-CD 4.48Å; D144-K146 HydrophobicContact CB-CG 4.16Å; D144-K146 PolarHBondContact O-N 3.13Å
147I95.5Very high94Very high7 Ų768.4 Ų68.44%0.03636%0.36CS..SBendtrans-130154.6174.769.5179.7000110.8V108 L138 L141 V142 E151 A152V108-I147 HydrophobicContact CB-CG2 4.49Å; V108-I147 HydrophobicContact CG1-CB 4.42Å; V108-I147 HydrophobicContact CG1-CD1 4.28Å; V108-I147 HydrophobicContact CG1-CG2 4.06Å; L138-I147 HydrophobicContact CB-CD1 4.49Å; L138-I147 HydrophobicContact CD2-CD1 3.77Å; L141-I147 HydrophobicContact CB-CD1 3.68Å; L141-I147 HydrophobicContact CB-CG1 3.75Å; L141-I147 HydrophobicContact CB-CG2 4.48Å; L141-I147 HydrophobicContact CD1-CD1 4.22Å; L141-I147 PolarHBondContact O-N 3.27Å; V142-I147 HydrophobicContact CG2-CD1 4.02Å; V142-I147 HydrophobicContact CG2-CG1 3.66Å; I147-E151 WeakPolarHBondContact CA-OE2 3.4Å; I147-E151 HydrophobicContact CB-CB 4.37Å; I147-E151 WeakPolarHBondContact CB-OE2 3.43Å; I147-A152 HydrophobicContact CD1-CB 4.06Å
148T95.1Very high93.9Very high72 Ų7268.5 Ų68.544%0.44236%0.361SS..  trans-83160.4175.974.30000111.5E150 E151 A152T148-E150 PolarHBondContact O-N 3.38Å; T148-E150 PolarHBondContact OG1-N 3.22Å; T148-E151 PolarHBondContact N-OE2 3.44Å; T148-E151 PolarHBondContact O-N 3.28Å; T148-E151 WeakPolarHBondContact OG1-CG 3.43Å; T148-E151 PolarHBondContact OG1-N 2.79Å; T148-E151 VanDerWaalsContact OG1-N 3.11Å; T148-A152 PolarHBondContact O-N 3.32Å
149Q92.9Very high93.9Very high139 Ų13968.3 Ų68.365%0.6536%0.359SS*.Hα-helixtrans-59-32.6172.4-77.9-72.1600112.6V142 K153V142-Q149 HydrophobicContact CG1-CG 4.01Å; Q149-K153 WeakPolarHBondContact O-CB 3.29Å; Q149-K153 PolarHBondContact O-N 3.15Å
150E93.3Very high93.9Very high121 Ų12165.8 Ų65.857%0.56534%0.338SS*.Hα-helixtrans-71.9-40.9178.1-156.2-166.7151.700111.8T148 K153 K154T148-E150 PolarHBondContact O-N 3.38Å; T148-E150 PolarHBondContact OG1-N 3.22Å; E150-K153 PolarHBondContact O-N 3.05Å; E150-K154 WeakPolarHBondContact O-CG 3.37Å; E150-K154 PolarHBondContact O-N 3.03Å; E150-K154 WeakPolarHBondContact OE1-CE 3.29Å; E150-K154 IonicContact OE1-NZ 2.68Å; E150-K154 PolarHBondContact OE1-NZ 2.9Å
151E92.9Very high94Very high51 Ų5163.5 Ų63.524%0.23833%0.325CS..Hα-helixtrans-61-44.2173.3-74.1174.2152.700111.2V108 K109 I147 T148 K154 S155V108-E151 HydrophobicContact CG1-CB 3.82Å; K109-E151 VanDerWaalsContact NZ-CD 3.31Å; K109-E151 IonicContact NZ-OE1 2.86Å; K109-E151 PolarHBondContact NZ-OE1 3.12Å; K109-E151 IonicContact NZ-OE2 3.47Å; K109-E151 PolarHBondContact NZ-OE2 3.1Å; I147-E151 WeakPolarHBondContact CA-OE2 3.4Å; I147-E151 HydrophobicContact CB-CB 4.37Å; I147-E151 WeakPolarHBondContact CB-OE2 3.43Å; T148-E151 PolarHBondContact N-OE2 3.44Å; T148-E151 PolarHBondContact O-N 3.28Å; T148-E151 WeakPolarHBondContact OG1-CG 3.43Å; T148-E151 PolarHBondContact OG1-N 2.79Å; T148-E151 VanDerWaalsContact OG1-N 3.11Å; E151-K154 PolarHBondContact O-N 3.37Å; E151-S155 WeakPolarHBondContact O-CB 3.47Å; E151-S155 PolarHBondContact O-N 3.41Å; E151-S155 PolarHBondContact O-OG 2.84Å
152A92.1Very high94Very high12 Ų1263.5 Ų63.510%0.09933%0.325CS..Hα-helixtrans-63.2-41.3176.100000112.1V142 I147 T148 S155 S156V142-A152 HydrophobicContact CG2-CB 3.73Å; I147-A152 HydrophobicContact CD1-CB 4.06Å; T148-A152 PolarHBondContact O-N 3.32Å; A152-S155 CarbonylContact O-C 3.52Å; A152-S155 VanDerWaalsContact O-C 3.3Å; A152-S155 PolarHBondContact O-N 3.49Å; A152-S156 WeakPolarHBondContact O-CA 3.3Å; A152-S156 PolarHBondContact O-N 3.47Å
153K92.6Very high94.1Very high171 Ų17162 Ų6274%0.74332%0.317SS*.Hα-helixtrans-66-43.8177.4-171.1177.2-178.7-179.90112.2Q149 E150 S155 S156Q149-K153 WeakPolarHBondContact O-CB 3.29Å; Q149-K153 PolarHBondContact O-N 3.15Å; E150-K153 PolarHBondContact O-N 3.05Å; K153-S155 PolarHBondContact O-N 3.33Å; K153-S156 WeakPolarHBondContact O-CB 3.38Å; K153-S156 PolarHBondContact O-N 3.18Å; K153-S156 PolarHBondContact O-OG 3.28Å
154K90.8Very high94.1Very high144 Ų14453.7 Ų53.763%0.62628%0.28SS*.Hα-helixtrans-62.7-33.6176.1-74.6175.3-175.2166.50112E150 E151E150-K154 WeakPolarHBondContact O-CG 3.37Å; E150-K154 PolarHBondContact O-N 3.03Å; E150-K154 WeakPolarHBondContact OE1-CE 3.29Å; E150-K154 IonicContact OE1-NZ 2.68Å; E150-K154 PolarHBondContact OE1-NZ 2.9Å; E151-K154 PolarHBondContact O-N 3.37Å
155S92.8Very high94.2Very high4 Ų449.4 Ų49.43%0.02826%0.258CS..THydrogen-bonded Turntrans-103.727.9179.3-51.90000113.2W134 L138 E151 A152 K153 H157W134-S155 PolarHBondContact NE1-O 2.89Å; L138-S155 WeakPolarHBondContact CD1-O 3.41Å; E151-S155 WeakPolarHBondContact O-CB 3.47Å; E151-S155 PolarHBondContact O-N 3.41Å; E151-S155 PolarHBondContact O-OG 2.84Å; A152-S155 CarbonylContact O-C 3.52Å; A152-S155 VanDerWaalsContact O-C 3.3Å; A152-S155 PolarHBondContact O-N 3.49Å; K153-S155 PolarHBondContact O-N 3.33Å; S155-H157 PolarHBondContact O-N 2.98Å
156S91.5Very high94.3Very high70 Ų7046.6 Ų46.649%0.4923%0.228SC..  trans-56.2-24.5-170.849.60000115.2A152 K153A152-S156 WeakPolarHBondContact O-CA 3.3Å; A152-S156 PolarHBondContact O-N 3.47Å; K153-S156 WeakPolarHBondContact O-CB 3.38Å; K153-S156 PolarHBondContact O-N 3.18Å; K153-S156 PolarHBondContact O-OG 3.28Å
157H92.8Very high94.4Very high59 Ų5941.8 Ų41.827%0.27321%0.207SC..  trans-133.5149.3178.855.8-79.6000110.9S155S155-H157 PolarHBondContact O-N 2.98Å
158L95Very high94.4Very high3 Ų341.5 Ų41.52%0.01621%0.206CC..  trans-113.8117.8172.1-177.769.7000109L107 L115 F130 R131 W134 I160L107-L158 HydrophobicContact CD1-CD1 4.39Å; L115-L158 HydrophobicContact CB-CD1 4.27Å; F130-L158 HydrophobicContact CD1-CD2 3.56Å; F130-L158 HydrophobicContact CE1-CD2 3.74Å; F130-L158 HydrophobicContact CG-CD2 4.44Å; R131-L158 VanDerWaalsContact CD-O 3.29Å; R131-L158 WeakPolarHBondContact CD-O 3.46Å; R131-L158 WeakPolarHBondContact CG-O 3.45Å; R131-L158 PolarHBondContact NE-O 3.34Å; W134-L158 HydrophobicContact CB-CB 4.45Å; W134-L158 HydrophobicContact CD2-CB 3.66Å; W134-L158 HydrophobicContact CD2-CD2 4.21Å; W134-L158 HydrophobicContact CD2-CG 4.45Å; W134-L158 HydrophobicContact CE3-CB 4.05Å; W134-L158 HydrophobicContact CE3-CD2 3.7Å; W134-L158 HydrophobicContact CE3-CG 4.36Å; W134-L158 HydrophobicContact CG-CB 3.83Å; W134-L158 HydrophobicContact CH2-CD1 4.35Å; W134-L158 HydrophobicContact CZ2-CB 4.41Å; W134-L158 HydrophobicContact CZ3-CD1 4.42Å; W134-L158 HydrophobicContact CZ3-CD2 3.94Å; L158-I160 HydrophobicContact CD2-CD1 4.02Å; L158-I160 HydrophobicContact CD2-CG1 4.2Å; L158-I160 HydrophobicContact CG-CD1 4.49Å; L158-I160 HydrophobicContact CG-CG1 4.14Å
159N96.1Very high94.3Very high5 Ų538.8 Ų38.83%0.02719%0.188CC..EExtended strand (participates in β ladder)trans-87.3133.7173.5-62-33.3000109.3T113 N114 L115 L326 A329T113-N159 PolarHBondContact O-N 3.35Å; N114-N159 WeakPolarHBondContact OD1-CB 3.24Å; N114-N159 PolarHBondContact OD1-ND2 2.79Å; L115-N159 PolarHBondContact N-O 2.99Å; N159-L326 HydrophobicContact CB-CD2 3.94Å; N159-A329 HydrophobicContact CB-CB 4.12Å
160I96.1Very high94.2Very high8 Ų832.6 Ų32.64%0.04116%0.16CC..EExtended strand (participates in β ladder)trans-126.2131.6179.8-63.4-169.3000110L115 A127 R131 L158 A335L115-I160 HydrophobicContact CB-CG1 4.37Å; L115-I160 WeakPolarHBondContact O-CA 3.49Å; A127-I160 VanDerWaalsContact C-CD1 3.47Å; A127-I160 HydrophobicContact CB-CD1 3.99Å; A127-I160 HydrophobicContact CB-CG2 3.88Å; A127-I160 WeakPolarHBondContact O-CD1 3.35Å; R131-I160 HydrophobicContact CB-CD1 3.53Å; R131-I160 HydrophobicContact CB-CG1 4.08Å; L158-I160 HydrophobicContact CD2-CD1 4.02Å; L158-I160 HydrophobicContact CD2-CG1 4.2Å; L158-I160 HydrophobicContact CG-CD1 4.49Å; L158-I160 HydrophobicContact CG-CG1 4.14Å; I160-A335 HydrophobicContact CB-CB 4.21Å; I160-A335 HydrophobicContact CG2-CB 4.45Å
161V97.1Very high94.1Very high1 Ų127 Ų271%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-123.6133165.472.70000109.9L115 C116 V117 A322 A325 L326 C336 V338L115-V161 PolarHBondContact O-N 2.77Å; C116-V161 WeakPolarHBondContact CA-O 3.1Å; C116-V161 HydrophobicContact CB-CG1 3.98Å; V117-V161 PolarHBondContact N-O 3.4Å; V161-A322 HydrophobicContact CG1-CB 3.79Å; V161-A322 HydrophobicContact CG2-CB 4.01Å; V161-A325 HydrophobicContact CG2-CB 4.22Å; V161-L326 HydrophobicContact CB-CD2 3.95Å; V161-L326 HydrophobicContact CB-CG 3.96Å; V161-L326 HydrophobicContact CG1-CD1 3.56Å; V161-L326 HydrophobicContact CG1-CD2 3.82Å; V161-L326 HydrophobicContact CG1-CG 3.5Å; V161-L326 VanDerWaalsContact CG1-CG 3.5Å; V161-C336 CarbonylContact C-O 3.53Å; V161-C336 WeakPolarHBondContact CA-O 3.04Å; V161-V338 HydrophobicContact CG2-CG2 3.73Å
162G96.4Very high93.9Very high0 Ų024.9 Ų24.90%012%0.124CC..EExtended strand (participates in β ladder)trans-99.3146.5174.800000112.4V117 L124 C336 V337 V338V117-G162 CarbonylContact O-C 3.6Å; V117-G162 WeakPolarHBondContact O-CA 3.49Å; L124-G162 VanDerWaalsContact CD2-CA 3.43Å; G162-C336 PolarHBondContact N-O 2.79Å; G162-V337 CarbonylContact O-C 3.53Å; G162-V337 WeakPolarHBondContact O-CA 3.13Å; G162-V338 PolarHBondContact O-N 2.71Å
163M96.6Very high93.5Very high0 Ų025.4 Ų25.40%013%0.131CC..EExtended strand (participates in β ladder)trans-128.8136.6161-72.8-178-88.400108.7A35 C116 V117 I118 G119 G165 I178 M318 A322 V338A35-M163 HydrophobicContact CB-CE 4.12Å; A35-M163 HydrophobicContact CB-SD 3.85Å; C116-M163 WeakPolarHBondContact SG-CE 3.01Å; V117-M163 PolarHBondContact O-N 2.93Å; I118-M163 WeakPolarHBondContact CA-O 3.27Å; I118-M163 HydrophobicContact CD1-CE 3.82Å; I118-M163 HydrophobicContact CG1-CB 4.13Å; I118-M163 HydrophobicContact CG1-CE 3.52Å; I118-M163 HydrophobicContact CG1-SD 4.43Å; G119-M163 PolarHBondContact N-O 2.84Å; M163-G165 PolarHBondContact O-N 3.11Å; M163-I178 HydrophobicContact CB-CD1 4.42Å; M163-M318 HydrophobicContact CG-CB 4.1Å; M163-M318 HydrophobicContact SD-CB 3.61Å; M163-A322 HydrophobicContact CE-CB 3.89Å; M163-A322 HydrophobicContact CG-CB 4.38Å; M163-A322 HydrophobicContact SD-CB 4.2Å; M163-V338 HydrophobicContact CG-CB 4.31Å
164V95.6Very high93.4Very high3 Ų317.9 Ų17.92%0.01810%0.099CC..EExtended strand (participates in β ladder)trans-88.1103.3-175.2-165.70000110.4G119 L124 F171 T177 I178 V337G119-V164 WeakPolarHBondContact O-CA 3.25Å; L124-V164 HydrophobicContact CD1-CG2 3.94Å; V164-F171 HydrophobicContact CB-CG 4.47Å; V164-F171 HydrophobicContact CG1-CB 3.68Å; V164-F171 HydrophobicContact CG1-CD1 4.48Å; V164-F171 HydrophobicContact CG1-CD2 4.37Å; V164-F171 HydrophobicContact CG1-CG 3.95Å; V164-F171 HydrophobicContact CG2-CB 4.25Å; V164-F171 HydrophobicContact CG2-CD1 3.47Å; V164-F171 VanDerWaalsContact CG2-CD1 3.47Å; V164-F171 HydrophobicContact CG2-CD2 4.2Å; V164-F171 HydrophobicContact CG2-CE1 3.71Å; V164-F171 HydrophobicContact CG2-CE2 4.42Å; V164-F171 HydrophobicContact CG2-CG 3.72Å; V164-F171 HydrophobicContact CG2-CZ 4.18Å; V164-T177 HydrophobicContact CB-CG2 3.88Å; V164-T177 HydrophobicContact CG1-CG2 3.39Å; V164-I178 PolarHBondContact O-N 3.11Å; V164-V337 HydrophobicContact CG2-CG1 3.65Å
165G95.8Very high93.3Very high1 Ų113.2 Ų13.21%0.018%0.082CC..EExtended strand (participates in β ladder)trans-100.6102.3170.600000110.2M32 G119 M163M32-G165 VanDerWaalsContact CE-O 3.3Å; M32-G165 WeakPolarHBondContact CE-O 3.25Å; G119-G165 CarbonylContact C-O 3.55Å; G119-G165 PolarHBondContact O-N 2.91Å; M163-G165 PolarHBondContact O-N 3.11Å
166S95.1Very high93.3Very high6 Ų614.1 Ų14.14%0.0429%0.085CC..EExtended strand (participates in β ladder)trans-158.2143.6-179.2-176.60000109.4D168 T177 I178 T180S166-D168 PolarHBondContact OG-N 3.26Å; S166-D168 PolarHBondContact OG-OD2 2.95Å; S166-T177 WeakPolarHBondContact O-CB 3.47Å; S166-T177 PolarHBondContact O-OG1 2.89Å; S166-I178 CarbonylContact C-O 3.53Å; S166-I178 PolarHBondContact N-O 3.29Å; S166-I178 VanDerWaalsContact O-O 3.06Å; S166-T180 PolarHBondContact O-OG1 3.21Å
167I96.3Very high93.4Very high0 Ų010.8 Ų10.80%06%0.062CC..SBendtrans-79.9-24171.664.6164.6000111.8A29 N169 T180 A183 M210 L217 Q302 R303A29-I167 HydrophobicContact CB-CG2 4.05Å; I167-N169 VanDerWaalsContact C-N 3.3Å; I167-N169 PolarHBondContact O-N 3.02Å; I167-T180 PolarHBondContact O-OG1 3.24Å; I167-A183 HydrophobicContact CB-CB 3.73Å; I167-A183 HydrophobicContact CD1-CB 4.47Å; I167-A183 HydrophobicContact CG2-CB 3.89Å; I167-M210 HydrophobicContact CD1-CB 4.03Å; I167-M210 HydrophobicContact CD1-SD 4.08Å; I167-L217 HydrophobicContact CB-CD1 4.45Å; I167-L217 HydrophobicContact CD1-CD1 4.3Å; I167-L217 HydrophobicContact CG1-CD1 4.37Å; I167-L217 WeakPolarHBondContact O-CD1 3.45Å; I167-Q302 HydrophobicContact CD1-CB 4.34Å; I167-R303 HydrophobicContact CD1-CG 3.67Å; I167-R303 HydrophobicContact CG1-CG 4.46Å; I167-R303 HydrophobicContact CG2-CG 4.48Å
168D94.9Very high93.7Very high1 Ų18 Ų81%0.0055%0.049CC..SBendtrans-73.1-22.7-165.2-56.3-37.8000112.9S166 D170 G211 R212S166-D168 PolarHBondContact OG-N 3.26Å; S166-D168 PolarHBondContact OG-OD2 2.95Å; D168-D170 HydrophobicContact CB-CB 4.15Å; D168-D170 PolarHBondContact O-N 3.17Å; D168-G211 VanDerWaalsContact OD1-CA 3.24Å; D168-G211 WeakPolarHBondContact OD1-CA 3.46Å; D168-R212 IonicContact OD2-NE 2.98Å
169N94.4Very high93.7Very high15 Ų157.8 Ų7.88%0.085%0.048CC..  trans52.638.1-170.8-155.131.7000113.5I167 D175 M176 T177 T180 Y216I167-N169 VanDerWaalsContact C-N 3.3Å; I167-N169 PolarHBondContact O-N 3.02Å; N169-D175 PolarHBondContact ND2-O 3.05Å; N169-M176 WeakPolarHBondContact OD1-CA 3.47Å; N169-T177 VanDerWaalsContact CA-OG1 3.31Å; N169-T177 WeakPolarHBondContact CA-OG1 3.49Å; N169-T177 PolarHBondContact N-OG1 3.01Å; N169-T177 PolarHBondContact OD1-N 2.66Å; N169-T180 HydrophobicContact CB-CG2 3.79Å; N169-T180 WeakPolarHBondContact CB-OG1 3.04Å; N169-T180 PolarHBondContact N-OG1 3.22Å; N169-Y216 HydrophobicContact CB-CD1 3.64Å; N169-Y216 HydrophobicContact CB-CE1 4.2Å; N169-Y216 HydrophobicContact CB-CG 3.91Å; N169-Y216 WeakPolarHBondContact ND2-CD1 3.28Å; N169-Y216 WeakPolarHBondContact ND2-CE1 3.39Å; N169-Y216 WeakPolarHBondContact ND2-CE2 3.29Å; N169-Y216 VanDerWaalsContact ND2-CZ 3.35Å
170D91.3Very high93.8Very high9 Ų97.6 Ų7.65%0.0485%0.047CC..  trans-93.1-8.2-174.265.8-22.2000113.8D168 C172 R212 C214 T357 R376D168-D170 HydrophobicContact CB-CB 4.15Å; D168-D170 PolarHBondContact O-N 3.17Å; D170-C172 PolarHBondContact O-N 3.4Å; D170-R212 IonicContact OD2-CZ 2.93Å; D170-R212 IonicContact OD2-NH1 2.99Å; D170-R212 PolarHBondContact OD2-NH1 2.91Å; D170-C214 HydrophobicContact CB-CB 3.7Å; D170-T357 WeakPolarHBondContact O-CG2 3.48Å; D170-R376 VanDerWaalsContact CA-NH1 3.35Å; D170-R376 PolarHBondContact O-NH1 2.81Å
171F90.4Very high93.8Very high3 Ų37.3 Ų7.31%0.0135%0.046CC..  trans-82.8113.7-178.9-169-91.9000112.3D121 L124 V164 G173 T174 T177 V337 C353 V354D121-F171 HydrophobicContact CB-CD2 4.12Å; L124-F171 HydrophobicContact CD1-CE2 3.91Å; L124-F171 HydrophobicContact CD1-CZ 4.12Å; V164-F171 HydrophobicContact CB-CG 4.47Å; V164-F171 HydrophobicContact CG1-CB 3.68Å; V164-F171 HydrophobicContact CG1-CD1 4.48Å; V164-F171 HydrophobicContact CG1-CD2 4.37Å; V164-F171 HydrophobicContact CG1-CG 3.95Å; V164-F171 HydrophobicContact CG2-CB 4.25Å; V164-F171 HydrophobicContact CG2-CD1 3.47Å; V164-F171 VanDerWaalsContact CG2-CD1 3.47Å; V164-F171 HydrophobicContact CG2-CD2 4.2Å; V164-F171 HydrophobicContact CG2-CE1 3.71Å; V164-F171 HydrophobicContact CG2-CE2 4.42Å; V164-F171 HydrophobicContact CG2-CG 3.72Å; V164-F171 HydrophobicContact CG2-CZ 4.18Å; F171-G173 PolarHBondContact O-N 3.22Å; F171-T174 HydrophobicContact CD1-CG2 4.36Å; F171-T177 HydrophobicContact CB-CG2 4.14Å; F171-V337 HydrophobicContact CE1-CG1 4.02Å; F171-V337 HydrophobicContact CZ-CG1 4.28Å; F171-V337 HydrophobicContact CZ-CG2 4.11Å; F171-C353 HydrophobicContact CD1-CB 4.38Å; F171-C353 HydrophobicContact CE1-CB 3.38Å; F171-C353 HydrophobicContact CE2-CB 4.32Å; F171-C353 HydrophobicContact CZ-CB 3.34Å; F171-V354 HydrophobicContact CE2-CG2 4.1Å
172C88.4Confident93.9Very high7 Ų77.3 Ų7.35%0.0475%0.046CC..THydrogen-bonded Turntrans-75.3123.8-179.9-63.50000110.9D170 C353 V356 T357D170-C172 PolarHBondContact O-N 3.4Å; C172-C353 WeakPolarHBondContact O-CA 3.32Å; C172-C353 WeakPolarHBondContact O-CB 3.17Å; C172-V356 HydrophobicContact CB-CB 3.97Å; C172-V356 HydrophobicContact CB-CG1 3.51Å; C172-T357 WeakPolarHBondContact CB-OG1 3.23Å; C172-T357 PolarHBondContact N-OG1 2.81Å
173G84.6Confident94Very high23 Ų237.3 Ų7.324%0.2375%0.046CC..THydrogen-bonded Turntrans132.2-23.7-178.300000112.7F171 L348F171-G173 PolarHBondContact O-N 3.22Å; G173-L348 WeakPolarHBondContact O-CD1 3.5Å
174T89.5Confident94Very high13 Ų137.5 Ų7.58%0.085%0.047CC..  trans-112.6142.5172.7-168.10000110.8F171 M176 T177 L340F171-T174 HydrophobicContact CD1-CG2 4.36Å; T174-M176 VanDerWaalsContact C-N 3.31Å; T174-M176 PolarHBondContact OG1-O 3.49Å; T174-T177 HydrophobicContact CG2-CG2 3.54Å; T174-L340 PolarHBondContact OG1-N 3.02Å
175D88.9Confident94.2Very high47 Ų479 Ų925%0.2515%0.053SC..SBendtrans-74.2-25.6175.1-70.9-43.5000111.9N169 L340 S341 G342 R717N169-D175 PolarHBondContact ND2-O 3.05Å; D175-L340 PolarHBondContact N-O 3.36Å; D175-S341 WeakPolarHBondContact OD2-CA 3.1Å; D175-G342 PolarHBondContact OD2-N 3.43Å; D175-R717 IonicContact OD1-NE 2.62Å; D175-R717 IonicContact OD1-NH2 2.76Å; D175-R717 IonicContact OD2-CZ 3.32Å; D175-R717 IonicContact OD2-NE 2.86Å; D175-R717 PolarHBondContact OD2-NE 3.04Å; D175-R717 IonicContact OD2-NH2 3.95Å; D175-R717 PolarHBondContact OD2-NH2 2.85Å; D175-R717 VanDerWaalsContact OD2-NH2 3.13Å
176M92.2Very high94.3Very high22 Ų2212 Ų1211%0.1086%0.064CC..SBendtrans-148.3136.2174.3-16173.47300110.5N169 T174 T180 Y216 F310 L314 L340N169-M176 WeakPolarHBondContact OD1-CA 3.47Å; T174-M176 VanDerWaalsContact C-N 3.31Å; T174-M176 PolarHBondContact OG1-O 3.49Å; M176-T180 HydrophobicContact SD-CG2 3.49Å; M176-T180 WeakPolarHBondContact SD-CG2 3.29Å; M176-Y216 HydrophobicContact CE-CE1 4.46Å; M176-Y216 WeakPolarHBondContact CE-OH 3.28Å; M176-Y216 HydrophobicContact SD-CE1 3.94Å; M176-F310 HydrophobicContact CB-CE1 4.14Å; M176-F310 HydrophobicContact CB-CZ 4.33Å; M176-F310 HydrophobicContact CG-CE1 3.79Å; M176-F310 HydrophobicContact CG-CZ 4.39Å; M176-L314 HydrophobicContact CB-CD2 4.49Å; M176-L340 HydrophobicContact CB-CD2 4.01Å
177T95.3Very high94.4Very high0 Ų011.7 Ų11.70%06%0.062CC..  trans-89.9152.7169.552.70000111.4V164 S166 N169 F171 T174 G179 T180V164-T177 HydrophobicContact CB-CG2 3.88Å; V164-T177 HydrophobicContact CG1-CG2 3.39Å; S166-T177 WeakPolarHBondContact O-CB 3.47Å; S166-T177 PolarHBondContact O-OG1 2.89Å; N169-T177 VanDerWaalsContact CA-OG1 3.31Å; N169-T177 WeakPolarHBondContact CA-OG1 3.49Å; N169-T177 PolarHBondContact N-OG1 3.01Å; N169-T177 PolarHBondContact OD1-N 2.66Å; F171-T177 HydrophobicContact CB-CG2 4.14Å; T174-T177 HydrophobicContact CG2-CG2 3.54Å; T177-G179 PolarHBondContact O-N 3.34Å; T177-G179 VanDerWaalsContact O-N 3.17Å; T177-T180 PolarHBondContact O-N 3.32Å; T177-T180 PolarHBondContact OG1-OG1 3.33Å
178I97.1Very high94.4Very high0 Ų011.9 Ų11.90%06%0.063CC..EExtended strand (participates in β ladder)trans-65117.7178.4-59.4165.4000108.8A29 G31 A35 M163 V164 S166 L314 M318A29-I178 VanDerWaalsContact CB-O 3.31Å; A29-I178 WeakPolarHBondContact CB-O 3.23Å; G31-I178 VanDerWaalsContact C-CG2 3.41Å; A35-I178 HydrophobicContact CB-CD1 4.08Å; M163-I178 HydrophobicContact CB-CD1 4.42Å; V164-I178 PolarHBondContact O-N 3.11Å; S166-I178 CarbonylContact C-O 3.53Å; S166-I178 PolarHBondContact N-O 3.29Å; S166-I178 VanDerWaalsContact O-O 3.06Å; I178-L314 HydrophobicContact CG1-CD2 4.09Å; I178-L314 HydrophobicContact CG1-CG 4.19Å; I178-M318 HydrophobicContact CD1-SD 3.7Å; I178-M318 HydrophobicContact CG1-SD 3.72Å
179G96.6Very high94.5Very high0 Ų017 Ų170%09%0.087CC..EExtended strand (participates in β ladder)trans108.5-12.4176.100000115Q30 T177 S182 A183 D311Q30-G179 WeakPolarHBondContact O-CA 3.45Å; Q30-G179 PolarHBondContact O-N 2.88Å; T177-G179 PolarHBondContact O-N 3.34Å; T177-G179 VanDerWaalsContact O-N 3.17Å; G179-S182 PolarHBondContact O-N 2.95Å; G179-A183 WeakPolarHBondContact O-CB 3.34Å; G179-A183 PolarHBondContact O-N 2.77Å; G179-D311 VanDerWaalsContact CA-OD2 3.24Å; G179-D311 WeakPolarHBondContact CA-OD2 3.25Å; G179-D311 PolarHBondContact N-OD1 2.88Å; G179-D311 PolarHBondContact N-OD2 2.9Å
180T97Very high94.5Very high0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-63.2-43.9177.7-66.40000112.1S166 I167 N169 M176 T177 A183 L184 Y216 L217S166-T180 PolarHBondContact O-OG1 3.21Å; I167-T180 PolarHBondContact O-OG1 3.24Å; N169-T180 HydrophobicContact CB-CG2 3.79Å; N169-T180 WeakPolarHBondContact CB-OG1 3.04Å; N169-T180 PolarHBondContact N-OG1 3.22Å; M176-T180 HydrophobicContact SD-CG2 3.49Å; M176-T180 WeakPolarHBondContact SD-CG2 3.29Å; T177-T180 PolarHBondContact O-N 3.32Å; T177-T180 PolarHBondContact OG1-OG1 3.33Å; T180-A183 PolarHBondContact O-N 3.12Å; T180-L184 HydrophobicContact CG2-CD1 4.39Å; T180-L184 WeakPolarHBondContact O-CG 3.37Å; T180-L184 PolarHBondContact O-N 3.07Å; T180-Y216 HydrophobicContact CG2-CD1 3.7Å; T180-Y216 HydrophobicContact CG2-CE1 3.57Å; T180-L217 HydrophobicContact CG2-CD2 3.91Å
181D97.3Very high94.7Very high3 Ų317.8 Ų17.82%0.0169%0.093CC..Hα-helixtrans-65-43.1180-17772.3000110.9A183 L184 H185 S308 F310 D311D181-A183 VanDerWaalsContact C-N 3.34Å; D181-A183 PolarHBondContact O-N 3.33Å; D181-L184 WeakPolarHBondContact O-CB 3.19Å; D181-L184 PolarHBondContact O-N 2.84Å; D181-L184 VanDerWaalsContact O-N 3.16Å; D181-H185 PolarHBondContact O-CD2 2.82Å; D181-H185 VanDerWaalsContact O-CD2 3.29Å; D181-H185 PolarHBondContact O-N 3.39Å; D181-H185 IonicContact OD2-CD2 3.6Å; D181-H185 IonicContact OD2-NE2 3.39Å; D181-S308 WeakPolarHBondContact OD2-CB 3.16Å; D181-S308 PolarHBondContact OD2-OG 3.41Å; D181-F310 HydrophobicContact CB-CB 4.4Å; D181-F310 HydrophobicContact CB-CD1 3.8Å; D181-F310 HydrophobicContact CB-CG 4.4Å; D181-D311 PolarHBondContact N-OD2 3.39Å
182S98.1Very high94.8Very high1 Ų119.7 Ų19.71%0.00710%0.103CC..Hα-helixtrans-59.5-41.8173.9-59.90000112.7G179 H185 R186 P307 S308 D311G179-S182 PolarHBondContact O-N 2.95Å; S182-H185 WeakPolarHBondContact O-CB 3.28Å; S182-H185 PolarHBondContact O-N 3.26Å; S182-R186 WeakPolarHBondContact O-CG 3.29Å; S182-R186 PolarHBondContact O-N 2.98Å; S182-R186 VanDerWaalsContact O-N 3.15Å; S182-P307 WeakPolarHBondContact OG-CA 3.38Å; S182-S308 PolarHBondContact OG-N 2.86Å; S182-D311 VanDerWaalsContact CB-OD2 3.24Å; S182-D311 WeakPolarHBondContact CB-OD2 3.47Å; S182-D311 PolarHBondContact N-OD2 2.87Å; S182-D311 PolarHBondContact OG-OD2 2.99Å
183A98.3Very high95.1Very high0 Ų022.3 Ų22.30%013%0.125CC..Hα-helixtrans-63.1-42.2174.900000111.8I167 G179 T180 D181 H185 R186 I187 L217 Q302I167-A183 HydrophobicContact CB-CB 3.73Å; I167-A183 HydrophobicContact CD1-CB 4.47Å; I167-A183 HydrophobicContact CG2-CB 3.89Å; G179-A183 WeakPolarHBondContact O-CB 3.34Å; G179-A183 PolarHBondContact O-N 2.77Å; T180-A183 PolarHBondContact O-N 3.12Å; D181-A183 VanDerWaalsContact C-N 3.34Å; D181-A183 PolarHBondContact O-N 3.33Å; A183-H185 VanDerWaalsContact C-N 3.29Å; A183-H185 PolarHBondContact O-N 2.91Å; A183-R186 WeakPolarHBondContact O-CB 3.45Å; A183-R186 PolarHBondContact O-N 2.62Å; A183-R186 VanDerWaalsContact O-N 3.1Å; A183-I187 WeakPolarHBondContact O-CD1 2.91Å; A183-I187 VanDerWaalsContact O-CG1 3.31Å; A183-I187 WeakPolarHBondContact O-CG1 3.43Å; A183-I187 PolarHBondContact O-N 3.42Å; A183-L217 HydrophobicContact CB-CD1 4.32Å; A183-L217 HydrophobicContact CB-CD2 4.09Å; A183-Q302 WeakPolarHBondContact CA-O 3.37Å; A183-Q302 WeakPolarHBondContact CB-O 3.46Å
184L98.2Very high95.4Very high4 Ų422.1 Ų22.12%0.02112%0.119CC..Hα-helixtrans-58.7-40172.9-70.7169.8000111.9T180 D181 R186 I187 I188 Y216 L217 V220 P671T180-L184 HydrophobicContact CG2-CD1 4.39Å; T180-L184 WeakPolarHBondContact O-CG 3.37Å; T180-L184 PolarHBondContact O-N 3.07Å; D181-L184 WeakPolarHBondContact O-CB 3.19Å; D181-L184 PolarHBondContact O-N 2.84Å; D181-L184 VanDerWaalsContact O-N 3.16Å; L184-R186 VanDerWaalsContact C-N 3.32Å; L184-R186 PolarHBondContact O-N 3.09Å; L184-I187 HydrophobicContact CD2-CD1 4.38Å; L184-I187 PolarHBondContact O-N 2.93Å; L184-I188 WeakPolarHBondContact O-CB 3.4Å; L184-I188 WeakPolarHBondContact O-CG1 3.41Å; L184-I188 PolarHBondContact O-N 3.06Å; L184-Y216 HydrophobicContact CD1-CE1 4.42Å; L184-L217 HydrophobicContact CD2-CD2 3.71Å; L184-L217 HydrophobicContact CG-CD2 3.7Å; L184-V220 HydrophobicContact CD1-CB 4.22Å; L184-V220 HydrophobicContact CD1-CG1 3.68Å; L184-V220 HydrophobicContact CD2-CB 3.92Å; L184-V220 HydrophobicContact CD2-CG1 3.92Å; L184-V220 HydrophobicContact CG-CG1 4.46Å; L184-P671 VanDerWaalsContact C-CG 3.48Å; L184-P671 HydrophobicContact CB-CB 3.82Å; L184-P671 HydrophobicContact CB-CG 3.91Å; L184-P671 WeakPolarHBondContact O-CG 3.49Å
185H98Very high95.4Very high33 Ų3323.1 Ų23.115%0.15313%0.125CC..Hα-helixtrans-59.6-42.6174.8-89.6-108.2000111.8D181 S182 A183 E189 T670 P671D181-H185 PolarHBondContact O-CD2 2.82Å; D181-H185 VanDerWaalsContact O-CD2 3.29Å; D181-H185 PolarHBondContact O-N 3.39Å; D181-H185 IonicContact OD2-CD2 3.6Å; D181-H185 IonicContact OD2-NE2 3.39Å; S182-H185 WeakPolarHBondContact O-CB 3.28Å; S182-H185 PolarHBondContact O-N 3.26Å; A183-H185 VanDerWaalsContact C-N 3.29Å; A183-H185 PolarHBondContact O-N 2.91Å; H185-E189 WeakPolarHBondContact O-CB 3.39Å; H185-E189 PolarHBondContact O-N 2.81Å; H185-T670 VanDerWaalsContact CE1-CG2 3.41Å; H185-T670 WeakPolarHBondContact CE1-CG2 3.34Å; H185-P671 HydrophobicContact CB-CG 4.43Å
186R97.8Very high95.3Very high64 Ų6425.3 Ų25.324%0.24214%0.14CC..Hα-helixtrans-65.2-43.2176.8-60.3-6289-150.7-6.9111.6S182 A183 L184 E189 V190 V301S182-R186 WeakPolarHBondContact O-CG 3.29Å; S182-R186 PolarHBondContact O-N 2.98Å; S182-R186 VanDerWaalsContact O-N 3.15Å; A183-R186 WeakPolarHBondContact O-CB 3.45Å; A183-R186 PolarHBondContact O-N 2.62Å; A183-R186 VanDerWaalsContact O-N 3.1Å; L184-R186 VanDerWaalsContact C-N 3.32Å; L184-R186 PolarHBondContact O-N 3.09Å; R186-E189 IonicContact CZ-OE2 2.88Å; R186-E189 IonicContact NH1-OE1 2.87Å; R186-E189 IonicContact NH1-OE2 3.51Å; R186-E189 PolarHBondContact NH1-OE2 2.88Å; R186-E189 IonicContact NH2-OE2 3.07Å; R186-E189 PolarHBondContact NH2-OE2 3Å; R186-E189 PolarHBondContact O-N 3.35Å; R186-V190 WeakPolarHBondContact O-CG2 3.22Å; R186-V190 PolarHBondContact O-N 3.3Å; R186-V301 VanDerWaalsContact CG-O 3.3Å; R186-V301 WeakPolarHBondContact CG-O 3.38Å
187I97.9Very high95.2Very high0 Ų026.9 Ų26.90%015%0.151CC..Hα-helixtrans-61.5-48.7178.9-63156.3000110.2A183 L184 E189 V190 V191 V209 L217 S221 L298 Q302A183-I187 WeakPolarHBondContact O-CD1 2.91Å; A183-I187 VanDerWaalsContact O-CG1 3.31Å; A183-I187 WeakPolarHBondContact O-CG1 3.43Å; A183-I187 PolarHBondContact O-N 3.42Å; L184-I187 HydrophobicContact CD2-CD1 4.38Å; L184-I187 PolarHBondContact O-N 2.93Å; I187-E189 PolarHBondContact O-N 3.25Å; I187-V190 PolarHBondContact O-N 3.32Å; I187-V191 HydrophobicContact CG2-CG2 4.1Å; I187-V191 WeakPolarHBondContact O-CG2 3.48Å; I187-V191 PolarHBondContact O-N 3.41Å; I187-V209 HydrophobicContact CD1-CG1 3.37Å; I187-V209 HydrophobicContact CG1-CG1 3.99Å; I187-V209 HydrophobicContact CG2-CG2 4.16Å; I187-L217 HydrophobicContact CD1-CB 4.04Å; I187-L217 HydrophobicContact CD1-CD1 4.37Å; I187-L217 HydrophobicContact CD1-CD2 4.16Å; I187-L217 HydrophobicContact CD1-CG 4.43Å; I187-S221 VanDerWaalsContact CG2-OG 3.29Å; I187-S221 WeakPolarHBondContact CG2-OG 3.26Å; I187-L298 HydrophobicContact CB-CD2 4.08Å; I187-L298 HydrophobicContact CG1-CD2 3.88Å; I187-L298 HydrophobicContact CG2-CD2 3.98Å; I187-Q302 HydrophobicContact CG1-CG 3.9Å
188I96.9Very high94.8Very high4 Ų426.9 Ų26.92%0.02115%0.151CC..Hα-helixtrans-67.6-35.1-177.9-65.7-55.9000112.5L184 V190 V191 D192 C225 P671L184-I188 WeakPolarHBondContact O-CB 3.4Å; L184-I188 WeakPolarHBondContact O-CG1 3.41Å; L184-I188 PolarHBondContact O-N 3.06Å; I188-V190 VanDerWaalsContact C-N 3.33Å; I188-V190 PolarHBondContact O-N 3.42Å; I188-V191 PolarHBondContact O-N 3.41Å; I188-D192 WeakPolarHBondContact O-CB 3.37Å; I188-D192 PolarHBondContact O-N 3.35Å; I188-C225 HydrophobicContact CD1-CB 4.47Å; I188-P671 HydrophobicContact CB-CG 4.06Å; I188-P671 HydrophobicContact CG1-CB 3.96Å; I188-P671 HydrophobicContact CG1-CG 3.76Å
189E95.6Very high94.4Very high109 Ų10930.7 Ų30.751%0.50917%0.169SC..Hα-helixtrans-59-45.1172.4-177177.4144.800111.8H185 R186 I187 D192 A193H185-E189 WeakPolarHBondContact O-CB 3.39Å; H185-E189 PolarHBondContact O-N 2.81Å; R186-E189 IonicContact CZ-OE2 2.88Å; R186-E189 IonicContact NH1-OE1 2.87Å; R186-E189 IonicContact NH1-OE2 3.51Å; R186-E189 PolarHBondContact NH1-OE2 2.88Å; R186-E189 IonicContact NH2-OE2 3.07Å; R186-E189 PolarHBondContact NH2-OE2 3Å; R186-E189 PolarHBondContact O-N 3.35Å; I187-E189 PolarHBondContact O-N 3.25Å; E189-D192 PolarHBondContact O-N 2.82Å; E189-A193 WeakPolarHBondContact O-CB 3.44Å; E189-A193 PolarHBondContact O-N 2.68Å
190V95.6Very high94Very high39 Ų3934.6 Ų34.624%0.23620%0.196CC..Hα-helixtrans-66.6-42.9177.1175.50000111.1R186 I187 I188 D192 A193 I194 L298R186-V190 WeakPolarHBondContact O-CG2 3.22Å; R186-V190 PolarHBondContact O-N 3.3Å; I187-V190 PolarHBondContact O-N 3.32Å; I188-V190 VanDerWaalsContact C-N 3.33Å; I188-V190 PolarHBondContact O-N 3.42Å; V190-D192 VanDerWaalsContact C-N 3.34Å; V190-D192 PolarHBondContact O-N 2.99Å; V190-A193 PolarHBondContact O-N 2.76Å; V190-I194 HydrophobicContact CG1-CD1 3.67Å; V190-I194 HydrophobicContact CG1-CG1 4.36Å; V190-I194 WeakPolarHBondContact O-CB 3.45Å; V190-I194 VanDerWaalsContact O-CG1 3.31Å; V190-I194 WeakPolarHBondContact O-CG1 3.44Å; V190-I194 PolarHBondContact O-N 3.12Å; V190-L298 HydrophobicContact CB-CD2 4.21Å; V190-L298 HydrophobicContact CB-CG 4.32Å; V190-L298 HydrophobicContact CG1-CD1 4.04Å; V190-L298 HydrophobicContact CG1-CD2 4.35Å; V190-L298 HydrophobicContact CG1-CG 4Å; V190-L298 HydrophobicContact CG2-CD2 4.45Å; V190-L298 HydrophobicContact CG2-CG 4.43Å
191V94.5Very high93.6Very high1 Ų139.8 Ų39.81%0.00622%0.22CC..Hα-helixtrans-60-44.8177.71740000111I187 I188 I194 T195 L207 C225I187-V191 HydrophobicContact CG2-CG2 4.1Å; I187-V191 WeakPolarHBondContact O-CG2 3.48Å; I187-V191 PolarHBondContact O-N 3.41Å; I188-V191 PolarHBondContact O-N 3.41Å; V191-I194 PolarHBondContact O-N 3.36Å; V191-T195 WeakPolarHBondContact O-CB 3.49Å; V191-T195 PolarHBondContact O-N 2.58Å; V191-T195 PolarHBondContact O-OG1 3.46Å; V191-L207 HydrophobicContact CB-CD1 4.31Å; V191-L207 HydrophobicContact CG1-CD1 4.42Å; V191-L207 HydrophobicContact CG2-CD1 3.54Å; V191-C225 HydrophobicContact CG1-CB 3.49Å; V191-C225 VanDerWaalsContact CG1-CB 3.49Å
192D93.4Very high93.1Very high43 Ų4344.3 Ų44.323%0.2324%0.241CC..Hα-helixtrans-65.5-41.4179.2-70.2-19.8000111.3I188 E189 V190 I194 T195 T668 R674I188-D192 WeakPolarHBondContact O-CB 3.37Å; I188-D192 PolarHBondContact O-N 3.35Å; E189-D192 PolarHBondContact O-N 2.82Å; V190-D192 VanDerWaalsContact C-N 3.34Å; V190-D192 PolarHBondContact O-N 2.99Å; D192-I194 VanDerWaalsContact C-N 3.35Å; D192-I194 PolarHBondContact O-N 3.27Å; D192-T195 PolarHBondContact O-N 3.25Å; D192-T668 WeakPolarHBondContact OD2-CG2 3.14Å; D192-R674 IonicContact OD1-CZ 2.93Å; D192-R674 IonicContact OD1-NH1 2.81Å; D192-R674 PolarHBondContact OD1-NH1 2.86Å; D192-R674 IonicContact OD1-NH2 3.83Å; D192-R674 PolarHBondContact OD1-NH2 3.09Å; D192-R674 IonicContact OD2-CZ 2.88Å; D192-R674 IonicContact OD2-NH1 3.07Å; D192-R674 IonicContact OD2-NH2 2.8Å; D192-R674 PolarHBondContact OD2-NH2 2.9Å
193A93.6Very high92.9Very high62 Ų6246.9 Ų46.951%0.51225%0.251SS..Hα-helixtrans-59.8-45.917500000111.4E189 V190 T196E189-A193 WeakPolarHBondContact O-CB 3.44Å; E189-A193 PolarHBondContact O-N 2.68Å; V190-A193 PolarHBondContact O-N 2.76Å; A193-T196 PolarHBondContact O-OG1 2.93Å
194I92.4Very high92.7Very high20 Ų2046.9 Ų46.910%0.10325%0.251CS..Hα-helixtrans-67.2-38.9179-70.6172.1000111.7V190 V191 D192 T196 T197 A198 F205 L207 T296V190-I194 HydrophobicContact CG1-CD1 3.67Å; V190-I194 HydrophobicContact CG1-CG1 4.36Å; V190-I194 WeakPolarHBondContact O-CB 3.45Å; V190-I194 VanDerWaalsContact O-CG1 3.31Å; V190-I194 WeakPolarHBondContact O-CG1 3.44Å; V190-I194 PolarHBondContact O-N 3.12Å; V191-I194 PolarHBondContact O-N 3.36Å; D192-I194 VanDerWaalsContact C-N 3.35Å; D192-I194 PolarHBondContact O-N 3.27Å; I194-T196 PolarHBondContact O-N 3.26Å; I194-T196 VanDerWaalsContact O-N 3.17Å; I194-T197 WeakPolarHBondContact O-CG2 3.38Å; I194-T197 PolarHBondContact O-N 2.72Å; I194-A198 HydrophobicContact CG2-CB 4.46Å; I194-A198 WeakPolarHBondContact O-CB 3.16Å; I194-A198 PolarHBondContact O-N 2.92Å; I194-F205 HydrophobicContact CG2-CB 4.01Å; I194-F205 HydrophobicContact CG2-CD1 3.34Å; I194-F205 HydrophobicContact CG2-CD2 3.83Å; I194-F205 HydrophobicContact CG2-CE1 3.61Å; I194-F205 HydrophobicContact CG2-CE2 4.07Å; I194-F205 HydrophobicContact CG2-CG 3.43Å; I194-F205 VanDerWaalsContact CG2-CG 3.43Å; I194-F205 HydrophobicContact CG2-CZ 3.95Å; I194-L207 HydrophobicContact CD1-CD2 3.42Å; I194-L207 VanDerWaalsContact CD1-CD2 3.42Å; I194-T296 HydrophobicContact CD1-CG2 4.02Å
195T89.2Confident92.6Very high33 Ų3347.3 Ų47.320%0.20225%0.253CS..Hα-helixtrans-53.7-40.3-178.2-67.60000111.6V191 D192 A198 Q199 L259V191-T195 WeakPolarHBondContact O-CB 3.49Å; V191-T195 PolarHBondContact O-N 2.58Å; V191-T195 PolarHBondContact O-OG1 3.46Å; D192-T195 PolarHBondContact O-N 3.25Å; T195-A198 PolarHBondContact O-N 3Å; T195-Q199 HydrophobicContact CG2-CG 4.44Å; T195-Q199 WeakPolarHBondContact O-CB 3.34Å; T195-Q199 VanDerWaalsContact O-CG 3.28Å; T195-Q199 WeakPolarHBondContact O-CG 3.24Å; T195-Q199 PolarHBondContact O-N 3.25Å; T195-L259 HydrophobicContact CG2-CD2 3.72Å
196T86.9Confident92.6Very high93 Ų9345.8 Ų45.857%0.57125%0.245SC*.Hα-helixtrans-64.2-50.1-179.564.40000112.8A193 I194 A198 S200A193-T196 PolarHBondContact O-OG1 2.93Å; I194-T196 PolarHBondContact O-N 3.26Å; I194-T196 VanDerWaalsContact O-N 3.17Å; T196-A198 VanDerWaalsContact C-N 3.32Å; T196-A198 PolarHBondContact O-N 3.04Å; T196-S200 PolarHBondContact O-N 3.14Å; T196-S200 PolarHBondContact O-OG 2.97Å
197T89.9Confident92.6Very high55 Ų5542.8 Ų42.834%0.33723%0.234SC..Hα-helixtrans-68.6-34.5178-176.90000111.9I194 S200 H201 F205I194-T197 WeakPolarHBondContact O-CG2 3.38Å; I194-T197 PolarHBondContact O-N 2.72Å; T197-S200 PolarHBondContact O-N 2.82Å; T197-H201 PolarHBondContact O-CD2 2.88Å; T197-H201 PolarHBondContact O-N 3.04Å; T197-F205 HydrophobicContact CG2-CZ 4.29Å
198A87.4Confident92.6Very high0 Ų044.9 Ų44.90%024%0.244CC..Hα-helixtrans-68.2-39.8-178.500000112.3I194 T195 T196 H201 Q202 R203 F205 L259I194-A198 HydrophobicContact CG2-CB 4.46Å; I194-A198 WeakPolarHBondContact O-CB 3.16Å; I194-A198 PolarHBondContact O-N 2.92Å; T195-A198 PolarHBondContact O-N 3Å; T196-A198 VanDerWaalsContact C-N 3.32Å; T196-A198 PolarHBondContact O-N 3.04Å; A198-H201 PolarHBondContact O-N 2.98Å; A198-Q202 PolarHBondContact O-N 2.99Å; A198-R203 PolarHBondContact O-N 2.85Å; A198-F205 HydrophobicContact CB-CD2 3.35Å; A198-F205 HydrophobicContact CB-CE2 3.28Å; A198-F205 HydrophobicContact CB-CG 4.47Å; A198-F205 HydrophobicContact CB-CZ 4.36Å; A198-L259 HydrophobicContact CB-CD1 3.22Å; A198-L259 HydrophobicContact CB-CG 4.46Å
199Q87.1Confident92.6Very high80 Ų8044.8 Ų44.837%0.37424%0.243SC..Hα-helixtrans-65-36.5173.9-75.2177.3-13.100112.9T195 R258 L259T195-Q199 HydrophobicContact CG2-CG 4.44Å; T195-Q199 WeakPolarHBondContact O-CB 3.34Å; T195-Q199 VanDerWaalsContact O-CG 3.28Å; T195-Q199 WeakPolarHBondContact O-CG 3.24Å; T195-Q199 PolarHBondContact O-N 3.25Å; Q199-R258 PolarHBondContact O-NE 2.98Å; Q199-R258 PolarHBondContact O-NH2 2.9Å; Q199-R258 VanDerWaalsContact O-NH2 3.16Å; Q199-L259 HydrophobicContact CG-CB 4.07Å; Q199-L259 HydrophobicContact CG-CD2 4.26Å
200S89.1Confident92.7Very high83 Ų8340.5 Ų40.558%0.5822%0.224SC*.Hα-helixtrans-62.8-43177.7-62.70000112T196 T197 R258T196-S200 PolarHBondContact O-N 3.14Å; T196-S200 PolarHBondContact O-OG 2.97Å; T197-S200 PolarHBondContact O-N 2.82Å; S200-R258 PolarHBondContact O-NH2 2.93Å
201H88.4Confident92.6Very high108 Ų10838.6 Ų38.650%0.521%0.212SC..THydrogen-bonded Turntrans-1017.8-175.2-65.7-69.7000115.2T197 A198 R203T197-H201 PolarHBondContact O-CD2 2.88Å; T197-H201 PolarHBondContact O-N 3.04Å; A198-H201 PolarHBondContact O-N 2.98Å; H201-R203 VanDerWaalsContact C-N 3.3Å; H201-R203 HydrophobicContact CB-CG 3.8Å; H201-R203 PolarHBondContact O-N 3.43Å
202Q87.8Confident92.5Very high99 Ų9943.1 Ų43.146%0.46323%0.229SC..THydrogen-bonded Turntrans55.338.5-176.2-61-173.8-5.700114.8A198 R253 R258A198-Q202 PolarHBondContact O-N 2.99Å; Q202-R253 PolarHBondContact O-NH1 3.37Å; Q202-R253 PolarHBondContact O-NH2 3.47Å; Q202-R258 CarbonylContact C-O 3.56Å; Q202-R258 WeakPolarHBondContact CA-O 3.4Å; Q202-R258 HydrophobicContact CG-CB 4.42Å
203R92Very high92.4Very high54 Ų5446.4 Ų46.420%0.20424%0.243CC..  trans-87.5164.5-170.6-74.9177175.6152.65.5114.2A198 H201 F205 R253 N260 D292A198-R203 PolarHBondContact O-N 2.85Å; H201-R203 VanDerWaalsContact C-N 3.3Å; H201-R203 HydrophobicContact CB-CG 3.8Å; H201-R203 PolarHBondContact O-N 3.43Å; R203-F205 HydrophobicContact CB-CD2 3.99Å; R203-F205 HydrophobicContact CB-CE2 3.65Å; R203-F205 HydrophobicContact CG-CE2 4.45Å; R203-R253 PolarHBondContact O-NH2 3.45Å; R203-N260 PolarHBondContact O-N 2.87Å; R203-D292 WeakPolarHBondContact CA-O 3.47Å; R203-D292 HydrophobicContact CG-CB 4.16Å; R203-D292 IonicContact CZ-OD2 3.48Å; R203-D292 IonicContact NE-OD2 3.92Å; R203-D292 PolarHBondContact NE-OD2 3.1Å; R203-D292 IonicContact NH2-OD2 2.75Å; R203-D292 PolarHBondContact NH2-OD2 3.2Å
204T94.8Very high92.5Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-105.7130.8163.7-58.30000109.1N260 I262 V285 D292 T293 R294T204-N260 CarbonylContact C-O 3.45Å; T204-N260 WeakPolarHBondContact CA-O 3.39Å; T204-N260 HydrophobicContact CG2-CB 3.85Å; T204-I262 HydrophobicContact CG2-CD1 4.12Å; T204-V285 HydrophobicContact CG2-CG1 4.29Å; T204-D292 PolarHBondContact N-O 3.2Å; T204-T293 HydrophobicContact CG2-CG2 4.12Å; T204-T293 CarbonylContact O-C 3.43Å; T204-T293 VanDerWaalsContact O-CA 3.32Å; T204-T293 WeakPolarHBondContact O-CA 3.24Å; T204-R294 PolarHBondContact O-N 3.26Å
205F96.1Very high92.7Very high14 Ų1442.5 Ų42.56%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-116.9132.9176.3-84.3-96.9000111.3I194 T197 A198 R203 L207 N260 V261 I262 R294I194-F205 HydrophobicContact CG2-CB 4.01Å; I194-F205 HydrophobicContact CG2-CD1 3.34Å; I194-F205 HydrophobicContact CG2-CD2 3.83Å; I194-F205 HydrophobicContact CG2-CE1 3.61Å; I194-F205 HydrophobicContact CG2-CE2 4.07Å; I194-F205 HydrophobicContact CG2-CG 3.43Å; I194-F205 VanDerWaalsContact CG2-CG 3.43Å; I194-F205 HydrophobicContact CG2-CZ 3.95Å; T197-F205 HydrophobicContact CG2-CZ 4.29Å; A198-F205 HydrophobicContact CB-CD2 3.35Å; A198-F205 HydrophobicContact CB-CE2 3.28Å; A198-F205 HydrophobicContact CB-CG 4.47Å; A198-F205 HydrophobicContact CB-CZ 4.36Å; R203-F205 HydrophobicContact CB-CD2 3.99Å; R203-F205 HydrophobicContact CB-CE2 3.65Å; R203-F205 HydrophobicContact CG-CE2 4.45Å; F205-L207 HydrophobicContact CB-CD2 4.41Å; F205-N260 PolarHBondContact N-O 2.96Å; F205-V261 WeakPolarHBondContact O-CA 3.05Å; F205-I262 PolarHBondContact O-N 2.79Å; F205-R294 WeakPolarHBondContact CA-O 3.27Å; F205-R294 HydrophobicContact CD1-CB 3.88Å; F205-R294 HydrophobicContact CE1-CB 3.63Å; F205-R294 HydrophobicContact CE1-CG 4.34Å; F205-R294 HydrophobicContact CG-CB 4.49Å; F205-R294 HydrophobicContact CZ-CB 4.02Å; F205-R294 HydrophobicContact CZ-CG 4.29Å
206I97.4Very high93.1Very high0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-107.6116.5172.6-58.5160.3000106.8I262 V264 I281 K282 T293 R294 T295 T296I206-I262 CarbonylContact C-O 3.57Å; I206-I262 WeakPolarHBondContact CA-O 3.38Å; I206-I262 HydrophobicContact CG1-CB 4.23Å; I206-I262 HydrophobicContact CG1-CD1 4.1Å; I206-V264 HydrophobicContact CG2-CG2 3.6Å; I206-I281 HydrophobicContact CD1-CB 3.95Å; I206-I281 HydrophobicContact CD1-CG2 3.63Å; I206-I281 HydrophobicContact CG1-CG2 4.06Å; I206-K282 VanDerWaalsContact CD1-CA 3.46Å; I206-K282 HydrophobicContact CD1-CB 3.72Å; I206-K282 VanDerWaalsContact CD1-N 3.32Å; I206-T293 HydrophobicContact CD1-CG2 3.6Å; I206-T293 HydrophobicContact CG1-CG2 4.12Å; I206-R294 PolarHBondContact N-O 2.83Å; I206-T295 CarbonylContact O-C 3.45Å; I206-T295 WeakPolarHBondContact O-CA 3.4Å; I206-T296 PolarHBondContact O-N 3.42Å
207L97.5Very high93.6Very high1 Ų137.1 Ų37.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-110.9114.7-176.5-54.9178.7000109.2V191 I194 F205 V261 I262 I263 V264 T296 L298V191-L207 HydrophobicContact CB-CD1 4.31Å; V191-L207 HydrophobicContact CG1-CD1 4.42Å; V191-L207 HydrophobicContact CG2-CD1 3.54Å; I194-L207 HydrophobicContact CD1-CD2 3.42Å; I194-L207 VanDerWaalsContact CD1-CD2 3.42Å; F205-L207 HydrophobicContact CB-CD2 4.41Å; L207-V261 HydrophobicContact CD1-CG1 4.02Å; L207-I262 PolarHBondContact N-O 2.77Å; L207-I263 HydrophobicContact CB-CD1 3.84Å; L207-I263 HydrophobicContact CD1-CD1 3.8Å; L207-I263 HydrophobicContact CG-CD1 4.23Å; L207-V264 PolarHBondContact O-N 3.19Å; L207-T296 WeakPolarHBondContact CA-O 3.38Å; L207-L298 HydrophobicContact CB-CD1 4.38Å
208E98.1Very high94Very high45 Ų4534.6 Ų34.621%0.2116%0.164CC..EExtended strand (participates in β ladder)trans-89.4125.5176.2-168.7-177115.500110.2V264 S278 T296 I297 L298E208-V264 WeakPolarHBondContact CA-O 3.36Å; E208-S278 PolarHBondContact OE2-OG 3.25Å; E208-T296 PolarHBondContact N-O 3.31Å; E208-I297 HydrophobicContact CB-CB 4.4Å; E208-I297 HydrophobicContact CB-CG1 4.08Å; E208-I297 HydrophobicContact CB-CG2 4.36Å; E208-L298 PolarHBondContact O-N 3.21Å
209V97.8Very high94.5Very high1 Ų134.6 Ų34.61%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-120.7141-170.4-178.10000109.1I187 L217 I263 V264 A265 E266 Q302I187-V209 HydrophobicContact CD1-CG1 3.37Å; I187-V209 HydrophobicContact CG1-CG1 3.99Å; I187-V209 HydrophobicContact CG2-CG2 4.16Å; V209-L217 HydrophobicContact CG1-CB 3.8Å; V209-I263 HydrophobicContact CB-CG2 4.48Å; V209-I263 HydrophobicContact CG2-CG2 3.75Å; V209-V264 PolarHBondContact N-O 2.49Å; V209-A265 CarbonylContact O-C 3.6Å; V209-E266 PolarHBondContact O-N 2.85Å; V209-Q302 VanDerWaalsContact CG1-OE1 3.24Å
210M97.6Very high95Very high19 Ų1930.9 Ų30.99%0.09415%0.147CC..  trans-67.9167.9177-75.5-177.5116.400111.3I167 L217 Q302 R303I167-M210 HydrophobicContact CD1-CB 4.03Å; I167-M210 HydrophobicContact CD1-SD 4.08Å; M210-L217 WeakPolarHBondContact O-CD1 3.42Å; M210-Q302 HydrophobicContact SD-CB 4.36Å; M210-R303 HydrophobicContact SD-CG 4.38Å
211G93.6Very high95.3Very high0 Ų027 Ų270%012%0.119CC..  trans157.23.5176.800000114D168 H213 C214 E266D168-G211 VanDerWaalsContact OD1-CA 3.24Å; D168-G211 WeakPolarHBondContact OD1-CA 3.46Å; G211-H213 PolarHBondContact O-N 2.94Å; G211-C214 CarbonylContact C-O 3.57Å; G211-C214 WeakPolarHBondContact CA-O 3.22Å; G211-C214 WeakPolarHBondContact O-CA 3.29Å; G211-C214 VanDerWaalsContact O-CB 3.29Å; G211-C214 WeakPolarHBondContact O-CB 3.39Å; G211-C214 PolarHBondContact O-N 2.79Å; G211-C214 VanDerWaalsContact O-O 3.14Å; G211-E266 PolarHBondContact N-OE1 3.39Å
212R92.8Very high95.7Very high96 Ų9621.8 Ų21.836%0.36210%0.095SC..THydrogen-bonded Turntrans53.8-104.5-173.1-172.6-162.8-67171.4-14.6110.7D121 D168 D170 E266 G267D121-R212 IonicContact OD1-NH1 2.66Å; D121-R212 PolarHBondContact OD1-NH1 2.9Å; D121-R212 VanDerWaalsContact OD1-NH1 3.1Å; D168-R212 IonicContact OD2-NE 2.98Å; D170-R212 IonicContact OD2-CZ 2.93Å; D170-R212 IonicContact OD2-NH1 2.99Å; D170-R212 PolarHBondContact OD2-NH1 2.91Å; R212-E266 VanDerWaalsContact CA-OE1 3.26Å; R212-E266 WeakPolarHBondContact CA-OE1 3.29Å; R212-E266 PolarHBondContact N-OE1 2.84Å; R212-G267 WeakPolarHBondContact O-CA 3.17Å; R212-G267 PolarHBondContact O-N 3.36Å
213H91.6Very high96.1Very high111 Ų11117.3 Ų17.351%0.5148%0.075SC..THydrogen-bonded Turntrans-110.223.6176.7-57.7-54.6000111.2G211 P233 R376G211-H213 PolarHBondContact O-N 2.94Å; H213-P233 WeakPolarHBondContact O-CG 3.33Å; H213-R376 PolarHBondContact O-NH2 2.99Å
214C95.4Very high96.2Very high1 Ų114.8 Ų14.81%0.0077%0.065CC..  trans-123.2129.2177.2-169.90000111.7D170 G211 Y216 E234 R376D170-C214 HydrophobicContact CB-CB 3.7Å; G211-C214 CarbonylContact C-O 3.57Å; G211-C214 WeakPolarHBondContact CA-O 3.22Å; G211-C214 WeakPolarHBondContact O-CA 3.29Å; G211-C214 VanDerWaalsContact O-CB 3.29Å; G211-C214 WeakPolarHBondContact O-CB 3.39Å; G211-C214 PolarHBondContact O-N 2.79Å; G211-C214 VanDerWaalsContact O-O 3.14Å; C214-Y216 VanDerWaalsContact C-N 3.33Å; C214-Y216 PolarHBondContact SG-N 3.46Å; C214-E234 WeakPolarHBondContact CA-OE1 3.22Å; C214-E234 PolarHBondContact SG-OE1 3.37Å; C214-R376 VanDerWaalsContact SG-CZ 3.54Å
215G96.9Very high96.1Very high0 Ų016.1 Ų16.10%07%0.074CC..  trans-877.8177.400000114.6L217 A218 L219 E234G215-L217 PolarHBondContact O-N 3.32Å; G215-A218 PolarHBondContact O-N 2.99Å; G215-L219 VanDerWaalsContact O-CB 3.26Å; G215-L219 WeakPolarHBondContact O-CB 3.4Å; G215-L219 PolarHBondContact O-N 3.09Å; G215-E234 WeakPolarHBondContact CA-OE2 3.06Å; G215-E234 VanDerWaalsContact N-CD 3.32Å; G215-E234 PolarHBondContact N-OE1 2.99Å; G215-E234 PolarHBondContact N-OE2 3.49Å
216Y97.2Very high95.8Very high13 Ų1316.5 Ų16.55%0.0518%0.082CC..Hα-helixtrans-59.8-48.3-172.2-175.6-94.9000112.2N169 M176 T180 L184 C214 A218 L219 V220 F380N169-Y216 HydrophobicContact CB-CD1 3.64Å; N169-Y216 HydrophobicContact CB-CE1 4.2Å; N169-Y216 HydrophobicContact CB-CG 3.91Å; N169-Y216 WeakPolarHBondContact ND2-CD1 3.28Å; N169-Y216 WeakPolarHBondContact ND2-CE1 3.39Å; N169-Y216 WeakPolarHBondContact ND2-CE2 3.29Å; N169-Y216 VanDerWaalsContact ND2-CZ 3.35Å; M176-Y216 HydrophobicContact CE-CE1 4.46Å; M176-Y216 WeakPolarHBondContact CE-OH 3.28Å; M176-Y216 HydrophobicContact SD-CE1 3.94Å; T180-Y216 HydrophobicContact CG2-CD1 3.7Å; T180-Y216 HydrophobicContact CG2-CE1 3.57Å; L184-Y216 HydrophobicContact CD1-CE1 4.42Å; C214-Y216 VanDerWaalsContact C-N 3.33Å; C214-Y216 PolarHBondContact SG-N 3.46Å; Y216-A218 PolarHBondContact O-N 3.3Å; Y216-L219 PolarHBondContact O-N 3.23Å; Y216-V220 HydrophobicContact CD1-CG2 4.22Å; Y216-V220 HydrophobicContact CD2-CG2 4.28Å; Y216-V220 HydrophobicContact CE1-CG2 3.86Å; Y216-V220 HydrophobicContact CE2-CG2 3.93Å; Y216-V220 HydrophobicContact CG-CG2 4.43Å; Y216-V220 WeakPolarHBondContact O-CB 3.29Å; Y216-V220 WeakPolarHBondContact O-CG2 3.31Å; Y216-V220 PolarHBondContact O-N 2.69Å; Y216-F380 AromaticContact CD2-CD2 3.85Å; Y216-F380 HydrophobicContact CD2-CD2 3.85Å; Y216-F380 HydrophobicContact CD2-CE2 4.43Å
217L97.9Very high95.6Very high0 Ų016.8 Ų16.80%09%0.085CC..Hα-helixtrans-59.7-46.1177.3-70.8179.2000111.4I167 T180 A183 L184 I187 V209 M210 G215 S221I167-L217 HydrophobicContact CB-CD1 4.45Å; I167-L217 HydrophobicContact CD1-CD1 4.3Å; I167-L217 HydrophobicContact CG1-CD1 4.37Å; I167-L217 WeakPolarHBondContact O-CD1 3.45Å; T180-L217 HydrophobicContact CG2-CD2 3.91Å; A183-L217 HydrophobicContact CB-CD1 4.32Å; A183-L217 HydrophobicContact CB-CD2 4.09Å; L184-L217 HydrophobicContact CD2-CD2 3.71Å; L184-L217 HydrophobicContact CG-CD2 3.7Å; I187-L217 HydrophobicContact CD1-CB 4.04Å; I187-L217 HydrophobicContact CD1-CD1 4.37Å; I187-L217 HydrophobicContact CD1-CD2 4.16Å; I187-L217 HydrophobicContact CD1-CG 4.43Å; V209-L217 HydrophobicContact CG1-CB 3.8Å; M210-L217 WeakPolarHBondContact O-CD1 3.42Å; G215-L217 PolarHBondContact O-N 3.32Å; L217-S221 WeakPolarHBondContact O-CB 3.2Å; L217-S221 PolarHBondContact O-N 3.25Å; L217-S221 PolarHBondContact O-OG 2.82Å
218A97.9Very high95.3Very high1 Ų117.4 Ų17.41%0.0089%0.088CC..Hα-helixtrans-62.8-46.3178.300000112.3G215 Y216 S221 A222 V230 I232 I263 A265G215-A218 PolarHBondContact O-N 2.99Å; Y216-A218 PolarHBondContact O-N 3.3Å; A218-S221 PolarHBondContact O-N 3.46Å; A218-A222 VanDerWaalsContact O-CB 3.27Å; A218-A222 WeakPolarHBondContact O-CB 3.29Å; A218-A222 PolarHBondContact O-N 3.46Å; A218-V230 HydrophobicContact CB-CG2 3.96Å; A218-I232 HydrophobicContact CB-CG2 4.15Å; A218-I263 HydrophobicContact CB-CG2 3.8Å; A218-A265 HydrophobicContact CB-CB 3.79Å
219L97.4Very high95.1Very high0 Ų015.8 Ų15.80%08%0.08CC..Hα-helixtrans-64.5-48.4-17917758.7000112.4G215 Y216 S221 A222 L223 I232 F380 N383 W384 Y387G215-L219 VanDerWaalsContact O-CB 3.26Å; G215-L219 WeakPolarHBondContact O-CB 3.4Å; G215-L219 PolarHBondContact O-N 3.09Å; Y216-L219 PolarHBondContact O-N 3.23Å; L219-S221 VanDerWaalsContact C-N 3.33Å; L219-A222 PolarHBondContact O-N 3.33Å; L219-L223 PolarHBondContact O-N 3.37Å; L219-I232 HydrophobicContact CB-CG2 4.36Å; L219-F380 HydrophobicContact CD2-CD1 4.3Å; L219-F380 HydrophobicContact CD2-CE1 3.99Å; L219-F380 HydrophobicContact CD2-CE2 4.32Å; L219-F380 HydrophobicContact CD2-CZ 3.99Å; L219-N383 HydrophobicContact CD2-CB 3.81Å; L219-N383 HydrophobicContact CG-CB 4.11Å; L219-W384 HydrophobicContact CD1-CE3 4.07Å; L219-W384 HydrophobicContact CD2-CB 4.16Å; L219-Y387 HydrophobicContact CD1-CD1 4.44Å; L219-Y387 HydrophobicContact CD1-CG 4Å
220V97.1Very high95.1Very high3 Ų316 Ų162%0.0188%0.081CC..Hα-helixtrans-68.2-37.1178.9176.50000110.6L184 Y216 L223 S224 N675L184-V220 HydrophobicContact CD1-CB 4.22Å; L184-V220 HydrophobicContact CD1-CG1 3.68Å; L184-V220 HydrophobicContact CD2-CB 3.92Å; L184-V220 HydrophobicContact CD2-CG1 3.92Å; L184-V220 HydrophobicContact CG-CG1 4.46Å; Y216-V220 HydrophobicContact CD1-CG2 4.22Å; Y216-V220 HydrophobicContact CD2-CG2 4.28Å; Y216-V220 HydrophobicContact CE1-CG2 3.86Å; Y216-V220 HydrophobicContact CE2-CG2 3.93Å; Y216-V220 HydrophobicContact CG-CG2 4.43Å; Y216-V220 WeakPolarHBondContact O-CB 3.29Å; Y216-V220 WeakPolarHBondContact O-CG2 3.31Å; Y216-V220 PolarHBondContact O-N 2.69Å; V220-L223 PolarHBondContact O-N 3.42Å; V220-S224 VanDerWaalsContact O-CB 3.25Å; V220-S224 WeakPolarHBondContact O-CB 3.31Å; V220-S224 PolarHBondContact O-N 3.24Å; V220-S224 PolarHBondContact O-OG 3.21Å; V220-N675 HydrophobicContact CG1-CB 4.3Å
221S97Very high95.1Very high0 Ų015.2 Ų15.20%08%0.077CC..Hα-helixtrans-62.7-44.3174.1-61.30000111.3I187 L217 A218 L219 L223 S224 C225I187-S221 VanDerWaalsContact CG2-OG 3.29Å; I187-S221 WeakPolarHBondContact CG2-OG 3.26Å; L217-S221 WeakPolarHBondContact O-CB 3.2Å; L217-S221 PolarHBondContact O-N 3.25Å; L217-S221 PolarHBondContact O-OG 2.82Å; A218-S221 PolarHBondContact O-N 3.46Å; L219-S221 VanDerWaalsContact C-N 3.33Å; S221-L223 PolarHBondContact O-N 3.35Å; S221-S224 PolarHBondContact O-N 2.9Å; S221-S224 VanDerWaalsContact O-N 3.12Å; S221-C225 PolarHBondContact O-N 2.81Å; S221-C225 PolarHBondContact O-SG 3.39Å
222A96.1Very high95.3Very high0 Ų015.2 Ų15.20%08%0.077CC..Hα-helixtrans-59.7-43177.400000112.5A218 L219 G226 A227 V230 I263 Y387A218-A222 VanDerWaalsContact O-CB 3.27Å; A218-A222 WeakPolarHBondContact O-CB 3.29Å; A218-A222 PolarHBondContact O-N 3.46Å; L219-A222 PolarHBondContact O-N 3.33Å; A222-G226 CarbonylContact O-C 3.48Å; A222-G226 WeakPolarHBondContact O-CA 3.48Å; A222-G226 PolarHBondContact O-N 2.89Å; A222-A227 HydrophobicContact CB-CB 3.85Å; A222-A227 PolarHBondContact O-N 3.09Å; A222-V230 HydrophobicContact CB-CB 3.76Å; A222-V230 HydrophobicContact CB-CG1 4.46Å; A222-V230 HydrophobicContact CB-CG2 3.85Å; A222-I263 HydrophobicContact CB-CB 4.45Å; A222-I263 HydrophobicContact CB-CG1 4.19Å; A222-Y387 HydrophobicContact CB-CD2 4.15Å; A222-Y387 HydrophobicContact CB-CE2 3.84Å
223L94.9Very high95.5Very high5 Ų510.8 Ų10.83%0.0266%0.061CC..Hα-helixtrans-63.4-43.4172.8-75.1169.4000112.1L219 V220 S221 G226 N383 T386 Y387 T678L219-L223 PolarHBondContact O-N 3.37Å; V220-L223 PolarHBondContact O-N 3.42Å; S221-L223 PolarHBondContact O-N 3.35Å; L223-G226 PolarHBondContact O-N 3.47Å; L223-N383 HydrophobicContact CD1-CB 3.8Å; L223-T386 HydrophobicContact CD2-CG2 4.18Å; L223-Y387 HydrophobicContact CD2-CD2 4.24Å; L223-Y387 HydrophobicContact CG-CD2 4.41Å; L223-T678 HydrophobicContact CD2-CG2 4.38Å
224S94.8Very high95.7Very high0 Ų05.5 Ų5.50%04%0.037CC..Hα-helixtrans-73.6-26.5-174.2-59.20000113.7V220 S221 T461 P671 R674V220-S224 VanDerWaalsContact O-CB 3.25Å; V220-S224 WeakPolarHBondContact O-CB 3.31Å; V220-S224 PolarHBondContact O-N 3.24Å; V220-S224 PolarHBondContact O-OG 3.21Å; S221-S224 PolarHBondContact O-N 2.9Å; S221-S224 VanDerWaalsContact O-N 3.12Å; S224-T461 WeakPolarHBondContact O-CG2 3.45Å; S224-P671 PolarHBondContact OG-O 2.94Å; S224-R674 WeakPolarHBondContact O-CD 3.33Å
225C92.5Very high95.7Very high28 Ų287 Ų719%0.1894%0.044CC..Hα-helixtrans-101.4-12173.370.30000113.6I188 V191 S221I188-C225 HydrophobicContact CD1-CB 4.47Å; V191-C225 HydrophobicContact CG1-CB 3.49Å; V191-C225 VanDerWaalsContact CG1-CB 3.49Å; S221-C225 PolarHBondContact O-N 2.81Å; S221-C225 PolarHBondContact O-SG 3.39Å
226G89.9Confident95.6Very high23 Ų237.1 Ų7.124%0.2374%0.044CC..THydrogen-bonded Turntrans71.942.4-174.800000112.9A222 L223A222-G226 CarbonylContact O-C 3.48Å; A222-G226 WeakPolarHBondContact O-CA 3.48Å; A222-G226 PolarHBondContact O-N 2.89Å; L223-G226 PolarHBondContact O-N 3.47Å
227A92.8Very high95.4Very high6 Ų67.2 Ų7.25%0.055%0.047CC..  trans-59.9144.9-17800000113.2A222 W229 V261 I263A222-A227 HydrophobicContact CB-CB 3.85Å; A222-A227 PolarHBondContact O-N 3.09Å; A227-W229 VanDerWaalsContact C-N 3.32Å; A227-V261 HydrophobicContact CB-CB 4.45Å; A227-V261 HydrophobicContact CB-CG1 4.29Å; A227-I263 HydrophobicContact CB-CG1 3.76Å
228D91.8Very high95.1Very high14 Ų1411.9 Ų11.98%0.0757%0.072CC..SBendtrans-74.7-22.6177.1-55.8-90.7000112.6R248 L249 Q252 N260 V261D228-R248 PolarHBondContact O-NE 2.9Å; D228-R248 VanDerWaalsContact O-NE 3.08Å; D228-R248 PolarHBondContact O-NH1 2.87Å; D228-R248 VanDerWaalsContact O-NH1 3.13Å; D228-R248 PolarHBondContact O-NH2 3.32Å; D228-L249 HydrophobicContact CB-CD2 3.86Å; D228-Q252 WeakPolarHBondContact OD1-CG 3.49Å; D228-N260 PolarHBondContact OD1-ND2 2.87Å; D228-N260 WeakPolarHBondContact OD2-CA 3.35Å; D228-V261 PolarHBondContact N-O 3.01Å; D228-V261 PolarHBondContact OD2-N 2.92Å
229W94.9Very high94.7Very high10 Ų1018.4 Ų18.44%0.03811%0.106CC..EExtended strand (participates in β ladder)trans-154.4148.5172.8-157.9-82.4000111.1A227 F231 H244 L245 V261 I262 I263 Y387 H392A227-W229 VanDerWaalsContact C-N 3.32Å; W229-F231 AromaticContact CD1-CD2 3.51Å; W229-F231 AromaticContact CD1-CE1 3.97Å; W229-F231 AromaticContact CD1-CE2 3.2Å; W229-F231 AromaticContact CD1-CZ 3.45Å; W229-F231 VanDerWaalsContact CD1-CZ 3.45Å; W229-F231 HydrophobicContact CG-CE2 4.08Å; W229-F231 HydrophobicContact CG-CZ 4.33Å; W229-F231 AromaticContact NE1-CD1 3.89Å; W229-F231 AromaticContact NE1-CE1 3.52Å; W229-F231 AromaticContact NE1-CE2 3.67Å; W229-F231 AromaticContact NE1-CZ 3.4Å; W229-H244 HydrophobicContact CH2-CB 4.19Å; W229-H244 AromaticContact CH2-CE1 3.82Å; W229-H244 AromaticContact CH2-CG 3.71Å; W229-H244 AromaticContact CH2-ND1 3.48Å; W229-H244 WeakPolarHBondContact CH2-ND1 3.45Å; W229-H244 AromaticContact CZ3-CD2 3.96Å; W229-H244 AromaticContact CZ3-CG 3.93Å; W229-H244 AromaticContact CZ3-ND1 3.99Å; W229-H244 AromaticContact CZ3-NE2 3.99Å; W229-L245 HydrophobicContact CB-CD1 3.69Å; W229-L245 HydrophobicContact CD2-CD1 3.82Å; W229-L245 HydrophobicContact CE3-CB 4.47Å; W229-L245 HydrophobicContact CE3-CD1 3.87Å; W229-L245 HydrophobicContact CG-CD1 3.76Å; W229-V261 PolarHBondContact N-O 2.87Å; W229-I262 HydrophobicContact CB-CG1 4.33Å; W229-I262 HydrophobicContact CB-CG2 4.27Å; W229-I262 WeakPolarHBondContact O-CA 3.32Å; W229-I263 PolarHBondContact O-N 3.24Å; W229-Y387 WeakPolarHBondContact CA-OH 3.49Å; W229-H392 AromaticContact CD2-CE1 3.99Å; W229-H392 AromaticContact CE2-CE1 3.97Å; W229-H392 AromaticContact CE3-CE1 3.7Å; W229-H392 AromaticContact CH2-CE1 3.45Å; W229-H392 VanDerWaalsContact CH2-CE1 3.45Å; W229-H392 WeakPolarHBondContact CH2-CE1 3.3Å; W229-H392 AromaticContact CH2-ND1 3.84Å; W229-H392 AromaticContact CZ2-CE1 3.72Å; W229-H392 AromaticContact CZ3-CE1 3.43Å; W229-H392 VanDerWaalsContact CZ3-CE1 3.43Å; W229-H392 WeakPolarHBondContact CZ3-CE1 3.38Å; W229-H392 AromaticContact CZ3-ND1 3.66Å
230V96.8Very high94.4Very high6 Ų620 Ų204%0.03612%0.123CC..EExtended strand (participates in β ladder)trans-129.8134170750000109.8A218 A222 I232 I263 W384 Y387A218-V230 HydrophobicContact CB-CG2 3.96Å; A222-V230 HydrophobicContact CB-CB 3.76Å; A222-V230 HydrophobicContact CB-CG1 4.46Å; A222-V230 HydrophobicContact CB-CG2 3.85Å; V230-I232 HydrophobicContact CG2-CG2 3.9Å; V230-I263 CarbonylContact C-O 3.58Å; V230-I263 VanDerWaalsContact CA-O 3.27Å; V230-I263 WeakPolarHBondContact CA-O 3.31Å; V230-I263 HydrophobicContact CG2-CB 4.14Å; V230-I263 HydrophobicContact CG2-CG2 4.33Å; V230-W384 HydrophobicContact CG1-CZ3 4.25Å; V230-Y387 HydrophobicContact CB-CE1 4.26Å; V230-Y387 HydrophobicContact CB-CE2 4.31Å; V230-Y387 HydrophobicContact CG1-CD1 3.76Å; V230-Y387 HydrophobicContact CG1-CD2 4.43Å; V230-Y387 HydrophobicContact CG1-CE1 3.29Å; V230-Y387 HydrophobicContact CG1-CE2 4.03Å; V230-Y387 HydrophobicContact CG1-CG 4.32Å; V230-Y387 VanDerWaalsContact CG1-CZ 3.45Å; V230-Y387 PolarHBondContact N-OH 3.02Å
231F97.4Very high94.2Very high2 Ų220.4 Ų20.41%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-106.1120.7169.7-66.2-89.3000109.2W229 P237 W241 L245 I262 I263 V264 A265 A268 I276 I281W229-F231 AromaticContact CD1-CD2 3.51Å; W229-F231 AromaticContact CD1-CE1 3.97Å; W229-F231 AromaticContact CD1-CE2 3.2Å; W229-F231 AromaticContact CD1-CZ 3.45Å; W229-F231 VanDerWaalsContact CD1-CZ 3.45Å; W229-F231 HydrophobicContact CG-CE2 4.08Å; W229-F231 HydrophobicContact CG-CZ 4.33Å; W229-F231 AromaticContact NE1-CD1 3.89Å; W229-F231 AromaticContact NE1-CE1 3.52Å; W229-F231 AromaticContact NE1-CE2 3.67Å; W229-F231 AromaticContact NE1-CZ 3.4Å; F231-P237 HydrophobicContact CD1-CG 4.05Å; F231-P237 HydrophobicContact CE1-CB 4.41Å; F231-P237 HydrophobicContact CE1-CG 3.97Å; F231-W241 HydrophobicContact CE1-CD2 4.07Å; F231-W241 AromaticContact CE1-CE3 3.61Å; F231-W241 HydrophobicContact CE1-CE3 3.61Å; F231-W241 HydrophobicContact CE1-CH2 4.27Å; F231-W241 AromaticContact CE1-CZ3 3.73Å; F231-W241 HydrophobicContact CE1-CZ3 3.73Å; F231-W241 HydrophobicContact CZ-CD2 4.46Å; F231-W241 AromaticContact CZ-CE3 3.56Å; F231-W241 HydrophobicContact CZ-CE3 3.56Å; F231-W241 HydrophobicContact CZ-CH2 4.18Å; F231-W241 AromaticContact CZ-CZ3 3.4Å; F231-W241 HydrophobicContact CZ-CZ3 3.4Å; F231-L245 HydrophobicContact CZ-CD2 4.28Å; F231-I262 HydrophobicContact CD2-CG2 4.02Å; F231-I262 HydrophobicContact CE2-CG2 3.76Å; F231-I263 PolarHBondContact N-O 2.98Å; F231-V264 HydrophobicContact CB-CG1 4.29Å; F231-V264 HydrophobicContact CD2-CG2 4.02Å; F231-A265 VanDerWaalsContact O-CB 3.3Å; F231-A265 WeakPolarHBondContact O-CB 3.31Å; F231-A265 PolarHBondContact O-N 2.87Å; F231-A268 HydrophobicContact CB-CB 3.77Å; F231-I276 HydrophobicContact CD1-CD1 3.8Å; F231-I276 HydrophobicContact CD1-CG2 4.17Å; F231-I276 HydrophobicContact CE1-CD1 4.13Å; F231-I276 HydrophobicContact CE1-CG2 4.3Å; F231-I281 HydrophobicContact CD2-CD1 3.78Å; F231-I281 HydrophobicContact CE2-CD1 3.52Å; F231-I281 HydrophobicContact CE2-CG1 4.26Å; F231-I281 HydrophobicContact CG-CD1 4.49Å; F231-I281 HydrophobicContact CZ-CD1 4.06Å; F231-I281 HydrophobicContact CZ-CG1 4.41Å
232I97.4Very high94Very high1 Ų122.8 Ų22.81%0.00514%0.135CC..  trans-130.3145.9178.559.5170.8000110.9A218 L219 V230 E234 M235 F380 W384A218-I232 HydrophobicContact CB-CG2 4.15Å; L219-I232 HydrophobicContact CB-CG2 4.36Å; V230-I232 HydrophobicContact CG2-CG2 3.9Å; I232-E234 VanDerWaalsContact C-N 3.34Å; I232-E234 PolarHBondContact O-N 3.36Å; I232-M235 HydrophobicContact CD1-CB 4.1Å; I232-M235 HydrophobicContact CG1-CB 4.22Å; I232-M235 CarbonylContact O-C 3.43Å; I232-F380 HydrophobicContact CD1-CE1 4.25Å; I232-F380 HydrophobicContact CD1-CZ 4.09Å; I232-W384 HydrophobicContact CD1-CD2 4.34Å; I232-W384 HydrophobicContact CD1-CE3 3.57Å; I232-W384 HydrophobicContact CD1-CZ3 3.73Å; I232-W384 HydrophobicContact CG1-CZ3 4.21Å
233P96.7Very high93.9Very high3 Ų327.3 Ų27.32%0.01916%0.16CC..THydrogen-bonded Turntrans-67.7-29.7177.720.8-28.1000114H213 M235 P236 G267 I269 M364H213-P233 WeakPolarHBondContact O-CG 3.33Å; P233-M235 PolarHBondContact O-N 2.87Å; P233-P236 WeakPolarHBondContact O-CD 3.26Å; P233-P236 WeakPolarHBondContact O-CG 3.49Å; P233-G267 WeakPolarHBondContact CB-O 3.36Å; P233-I269 HydrophobicContact CB-CG1 4.45Å; P233-M364 HydrophobicContact CB-SD 4.11Å
234E96.1Very high93.7Very high0 Ų030.6 Ų30.60%018%0.175CC..THydrogen-bonded Turntrans-71.4-22-177.1-65.688.8165.700113.3C214 G215 I232 M364 F369 V373 R376 F380C214-E234 WeakPolarHBondContact CA-OE1 3.22Å; C214-E234 PolarHBondContact SG-OE1 3.37Å; G215-E234 WeakPolarHBondContact CA-OE2 3.06Å; G215-E234 VanDerWaalsContact N-CD 3.32Å; G215-E234 PolarHBondContact N-OE1 2.99Å; G215-E234 PolarHBondContact N-OE2 3.49Å; I232-E234 VanDerWaalsContact C-N 3.34Å; I232-E234 PolarHBondContact O-N 3.36Å; E234-M364 HydrophobicContact CG-SD 4.17Å; E234-F369 WeakPolarHBondContact O-CB 3.14Å; E234-V373 HydrophobicContact CB-CG2 3.98Å; E234-R376 HydrophobicContact CG-CG 4.07Å; E234-R376 IonicContact OE1-CZ 3.28Å; E234-R376 IonicContact OE1-NE 2.82Å; E234-R376 PolarHBondContact OE1-NE 3.13Å; E234-R376 IonicContact OE1-NH2 2.72Å; E234-R376 PolarHBondContact OE1-NH2 2.85Å; E234-R376 VanDerWaalsContact OE1-NH2 3.16Å; E234-F380 HydrophobicContact CB-CE1 4Å; E234-F380 HydrophobicContact CB-CZ 3.94Å; E234-F380 VanDerWaalsContact CD-CZ 3.48Å; E234-F380 HydrophobicContact CG-CE1 4.2Å; E234-F380 HydrophobicContact CG-CE2 4.44Å; E234-F380 HydrophobicContact CG-CZ 3.81Å
235M95.6Very high93.7Very high32 Ų3230.6 Ų30.616%0.15818%0.175CC..SBendtrans-142.578.3175.4-166.960.459.200109.5I232 P233 F369 E370 V373 W384I232-M235 HydrophobicContact CD1-CB 4.1Å; I232-M235 HydrophobicContact CG1-CB 4.22Å; I232-M235 CarbonylContact O-C 3.43Å; P233-M235 PolarHBondContact O-N 2.87Å; M235-F369 HydrophobicContact CE-CB 4.22Å; M235-F369 HydrophobicContact SD-CB 4.17Å; M235-E370 HydrophobicContact CE-CG 4.34Å; M235-V373 HydrophobicContact CB-CG2 4.49Å; M235-V373 HydrophobicContact CE-CG2 3.69Å; M235-W384 HydrophobicContact CB-CD2 4.44Å; M235-W384 HydrophobicContact CB-CH2 4.07Å; M235-W384 HydrophobicContact CB-CZ2 3.82Å; M235-W384 HydrophobicContact CB-CZ3 4.48Å; M235-W384 HydrophobicContact CG-CH2 3.9Å; M235-W384 HydrophobicContact CG-CZ2 3.3Å
236P95.3Very high93.7Very high2 Ų229.8 Ų29.81%0.01317%0.169CC..PPolyproline II helixtrans-55.9147.3175.6-29.241.6000111.2P233 I269 R271 F369P233-P236 WeakPolarHBondContact O-CD 3.26Å; P233-P236 WeakPolarHBondContact O-CG 3.49Å; P236-I269 VanDerWaalsContact CB-O 3.32Å; P236-I269 WeakPolarHBondContact CB-O 3.49Å; P236-I269 HydrophobicContact CG-CD1 4.24Å; P236-I269 HydrophobicContact CG-CG1 3.89Å; P236-R271 HydrophobicContact CB-CG 4Å; P236-F369 HydrophobicContact CG-CD1 3.77Å; P236-F369 HydrophobicContact CG-CD2 4.41Å; P236-F369 HydrophobicContact CG-CE1 3.47Å; P236-F369 VanDerWaalsContact CG-CE1 3.47Å; P236-F369 HydrophobicContact CG-CE2 4.14Å; P236-F369 HydrophobicContact CG-CG 4.24Å; P236-F369 HydrophobicContact CG-CZ 3.68Å
237P93.6Very high93.8Very high15 Ų1537.4 Ų37.410%0.09719%0.191CC..PPolyproline II helixtrans-68.3151.5-179.435-39.4000110.9F231 W241 I276F231-P237 HydrophobicContact CD1-CG 4.05Å; F231-P237 HydrophobicContact CE1-CB 4.41Å; F231-P237 HydrophobicContact CE1-CG 3.97Å; P237-W241 HydrophobicContact CB-CB 3.61Å; P237-W241 HydrophobicContact CB-CG 3.88Å; P237-W241 HydrophobicContact CG-CB 4.13Å; P237-W241 HydrophobicContact CG-CD2 4.28Å; P237-W241 HydrophobicContact CG-CG 3.82Å; P237-I276 HydrophobicContact CG-CD1 3.65Å
238D91.4Very high93.6Very high99 Ų9938.3 Ų38.353%0.52919%0.193SC..PPolyproline II helixtrans-66.6164.9177.5-59.8-37.8000112.4W241 R271D238-W241 VanDerWaalsContact O-CB 3.29Å; D238-W241 WeakPolarHBondContact O-CB 3.43Å; D238-W241 PolarHBondContact O-N 3.14Å; D238-W241 VanDerWaalsContact O-N 3.14Å; D238-R271 IonicContact OD1-CZ 2.69Å; D238-R271 IonicContact OD1-NE 2.71Å; D238-R271 PolarHBondContact OD1-NE 3.23Å; D238-R271 IonicContact OD1-NH2 2.73Å; D238-R271 PolarHBondContact OD1-NH2 3.18Å
239D89.1Confident93.7Very high137 Ų13737.7 Ų37.773%0.73319%0.189SC*.THydrogen-bonded Turntrans-58.9141175.3-63.4-23000111.3W241D239-W241 VanDerWaalsContact C-N 3.27Å; D239-W241 PolarHBondContact O-N 2.88Å
240G90.4Very high93.5Very high34 Ų3439 Ų3935%0.35120%0.203SC..THydrogen-bonded Turntrans72.617.9-174.900000114.2E242 N243 H244G240-E242 PolarHBondContact O-N 3.47Å; G240-E242 VanDerWaalsContact O-N 3.08Å; G240-N243 WeakPolarHBondContact O-CB 3.4Å; G240-N243 PolarHBondContact O-N 2.73Å; G240-H244 PolarHBondContact O-N 3.01Å
241W92.9Very high93.1Very high11 Ų1140.7 Ų40.74%0.04221%0.211CC..Hα-helixtrans-53-27.2174.268.1-89000113.4F231 P237 D238 D239 N243 H244 L245 I276 I281 L284F231-W241 HydrophobicContact CE1-CD2 4.07Å; F231-W241 AromaticContact CE1-CE3 3.61Å; F231-W241 HydrophobicContact CE1-CE3 3.61Å; F231-W241 HydrophobicContact CE1-CH2 4.27Å; F231-W241 AromaticContact CE1-CZ3 3.73Å; F231-W241 HydrophobicContact CE1-CZ3 3.73Å; F231-W241 HydrophobicContact CZ-CD2 4.46Å; F231-W241 AromaticContact CZ-CE3 3.56Å; F231-W241 HydrophobicContact CZ-CE3 3.56Å; F231-W241 HydrophobicContact CZ-CH2 4.18Å; F231-W241 AromaticContact CZ-CZ3 3.4Å; F231-W241 HydrophobicContact CZ-CZ3 3.4Å; P237-W241 HydrophobicContact CB-CB 3.61Å; P237-W241 HydrophobicContact CB-CG 3.88Å; P237-W241 HydrophobicContact CG-CB 4.13Å; P237-W241 HydrophobicContact CG-CD2 4.28Å; P237-W241 HydrophobicContact CG-CG 3.82Å; D238-W241 VanDerWaalsContact O-CB 3.29Å; D238-W241 WeakPolarHBondContact O-CB 3.43Å; D238-W241 PolarHBondContact O-N 3.14Å; D238-W241 VanDerWaalsContact O-N 3.14Å; D239-W241 VanDerWaalsContact C-N 3.27Å; D239-W241 PolarHBondContact O-N 2.88Å; W241-N243 VanDerWaalsContact C-N 3.29Å; W241-N243 PolarHBondContact O-N 3.36Å; W241-H244 PolarHBondContact O-N 3.24Å; W241-L245 HydrophobicContact CE3-CB 4.31Å; W241-L245 HydrophobicContact CE3-CD2 4.25Å; W241-L245 HydrophobicContact CZ3-CD2 3.78Å; W241-L245 VanDerWaalsContact O-CB 3.28Å; W241-L245 WeakPolarHBondContact O-CB 3.47Å; W241-L245 PolarHBondContact O-N 2.9Å; W241-I276 HydrophobicContact CH2-CG2 4.3Å; W241-I276 HydrophobicContact CZ2-CG2 4.36Å; W241-I281 HydrophobicContact CH2-CG1 4.04Å; W241-I281 HydrophobicContact CZ3-CG1 4.34Å; W241-L284 HydrophobicContact CH2-CD2 4.05Å; W241-L284 HydrophobicContact CZ3-CD2 3.86Å
242E94.6Very high92.6Very high51 Ų5141.3 Ų41.324%0.23821%0.214CC..Hα-helixtrans-59.8-43.3177.3-60.787.8167.700110.9G240 C246 L284G240-E242 PolarHBondContact O-N 3.47Å; G240-E242 VanDerWaalsContact O-N 3.08Å; E242-C246 WeakPolarHBondContact O-CB 3.35Å; E242-C246 PolarHBondContact O-N 2.9Å; E242-C246 PolarHBondContact O-SG 3.07Å; E242-L284 HydrophobicContact CB-CD1 3.87Å; E242-L284 HydrophobicContact CB-CD2 3.64Å; E242-L284 HydrophobicContact CB-CG 4.4Å; E242-L284 HydrophobicContact CG-CD1 4.16Å; E242-L284 HydrophobicContact CG-CD2 3.73Å
243N93.3Very high92.1Very high95 Ų9543.4 Ų43.451%0.50822%0.222SC..Hα-helixtrans-69.7-40.6177.8-67.3-29.1000111G240 W241 C246 R247 R288G240-N243 WeakPolarHBondContact O-CB 3.4Å; G240-N243 PolarHBondContact O-N 2.73Å; W241-N243 VanDerWaalsContact C-N 3.29Å; W241-N243 PolarHBondContact O-N 3.36Å; N243-C246 PolarHBondContact O-N 2.92Å; N243-R247 WeakPolarHBondContact O-CB 3.45Å; N243-R247 PolarHBondContact O-N 3.37Å; N243-R288 PolarHBondContact OD1-NH1 3.16Å
244H91.4Very high91.6Very high73 Ų7347.8 Ų47.834%0.33825%0.253SS..Hα-helixtrans-65.5-46178.7-173.6-175000111.2W229 G240 W241 R247 R248 H392W229-H244 HydrophobicContact CH2-CB 4.19Å; W229-H244 AromaticContact CH2-CE1 3.82Å; W229-H244 AromaticContact CH2-CG 3.71Å; W229-H244 AromaticContact CH2-ND1 3.48Å; W229-H244 WeakPolarHBondContact CH2-ND1 3.45Å; W229-H244 AromaticContact CZ3-CD2 3.96Å; W229-H244 AromaticContact CZ3-CG 3.93Å; W229-H244 AromaticContact CZ3-ND1 3.99Å; W229-H244 AromaticContact CZ3-NE2 3.99Å; G240-H244 PolarHBondContact O-N 3.01Å; W241-H244 PolarHBondContact O-N 3.24Å; H244-R247 PolarHBondContact O-N 3.41Å; H244-R248 VanDerWaalsContact O-CB 3.31Å; H244-R248 WeakPolarHBondContact O-CB 3.47Å; H244-R248 PolarHBondContact O-N 3.34Å; H244-H392 AromaticContact CE1-ND1 3.65Å; H244-H392 AromaticContact NE2-ND1 3.96Å
245L93.5Very high90.9Very high0 Ų051.1 Ų51.10%027%0.266CS..Hα-helixtrans-56.5-53.7173.8176.465.6000110.2W229 F231 W241 R247 R248 L249 I262 I281 L284 V285W229-L245 HydrophobicContact CB-CD1 3.69Å; W229-L245 HydrophobicContact CD2-CD1 3.82Å; W229-L245 HydrophobicContact CE3-CB 4.47Å; W229-L245 HydrophobicContact CE3-CD1 3.87Å; W229-L245 HydrophobicContact CG-CD1 3.76Å; F231-L245 HydrophobicContact CZ-CD2 4.28Å; W241-L245 HydrophobicContact CE3-CB 4.31Å; W241-L245 HydrophobicContact CE3-CD2 4.25Å; W241-L245 HydrophobicContact CZ3-CD2 3.78Å; W241-L245 VanDerWaalsContact O-CB 3.28Å; W241-L245 WeakPolarHBondContact O-CB 3.47Å; W241-L245 PolarHBondContact O-N 2.9Å; L245-R247 PolarHBondContact O-N 3.09Å; L245-R248 PolarHBondContact O-N 2.73Å; L245-R248 VanDerWaalsContact O-N 3.13Å; L245-L249 HydrophobicContact CD1-CD1 3.93Å; L245-L249 HydrophobicContact CD1-CD2 4.23Å; L245-L249 HydrophobicContact CD1-CG 3.94Å; L245-L249 HydrophobicContact CG-CD1 3.96Å; L245-L249 HydrophobicContact CG-CG 4.3Å; L245-L249 VanDerWaalsContact O-CG 3.32Å; L245-L249 WeakPolarHBondContact O-CG 3.44Å; L245-L249 PolarHBondContact O-N 2.96Å; L245-I262 HydrophobicContact CD1-CD1 4.15Å; L245-I262 HydrophobicContact CD1-CG1 4.49Å; L245-I262 HydrophobicContact CD2-CD1 4.38Å; L245-I281 HydrophobicContact CD2-CG2 4.03Å; L245-L284 HydrophobicContact CD2-CD2 4.24Å; L245-V285 HydrophobicContact CD2-CG2 4.36Å
246C93.7Very high90.3Very high11 Ų1152.3 Ų52.37%0.07429%0.286CS..Hα-helixtrans-57.8-46.6-178.7-76.60000112.4E242 N243 R248 L249 A250 L289E242-C246 WeakPolarHBondContact O-CB 3.35Å; E242-C246 PolarHBondContact O-N 2.9Å; E242-C246 PolarHBondContact O-SG 3.07Å; N243-C246 PolarHBondContact O-N 2.92Å; C246-R248 VanDerWaalsContact C-N 3.3Å; C246-R248 PolarHBondContact O-N 3.12Å; C246-L249 PolarHBondContact O-N 2.93Å; C246-A250 WeakPolarHBondContact O-CB 3.37Å; C246-A250 PolarHBondContact O-N 2.83Å; C246-L289 HydrophobicContact CB-CD1 4.32Å; C246-L289 HydrophobicContact CB-CD2 3.98Å; C246-L289 HydrophobicContact CB-CG 4.21Å
247R91.4Very high89.8Confident184 Ų18453.4 Ų53.469%0.69429%0.294SS*.Hα-helixtrans-57.8-45176.7-177.8-175.2-64.4155.1-0.3111.2N243 H244 L245 A250 D251N243-R247 WeakPolarHBondContact O-CB 3.45Å; N243-R247 PolarHBondContact O-N 3.37Å; H244-R247 PolarHBondContact O-N 3.41Å; L245-R247 PolarHBondContact O-N 3.09Å; R247-A250 PolarHBondContact O-N 3.02Å; R247-D251 WeakPolarHBondContact O-CB 3.4Å; R247-D251 PolarHBondContact O-N 3.24Å
248R89.5Confident89.5Confident25 Ų2558.2 Ų58.29%0.09431%0.31CS..Hα-helixtrans-67.8-45-177-177.7167.2174.8-162.7-14.2112.7D228 H244 L245 C246 A250 D251 Q252 A391 H392D228-R248 PolarHBondContact O-NE 2.9Å; D228-R248 VanDerWaalsContact O-NE 3.08Å; D228-R248 PolarHBondContact O-NH1 2.87Å; D228-R248 VanDerWaalsContact O-NH1 3.13Å; D228-R248 PolarHBondContact O-NH2 3.32Å; H244-R248 VanDerWaalsContact O-CB 3.31Å; H244-R248 WeakPolarHBondContact O-CB 3.47Å; H244-R248 PolarHBondContact O-N 3.34Å; L245-R248 PolarHBondContact O-N 2.73Å; L245-R248 VanDerWaalsContact O-N 3.13Å; C246-R248 VanDerWaalsContact C-N 3.3Å; C246-R248 PolarHBondContact O-N 3.12Å; R248-A250 VanDerWaalsContact C-N 3.29Å; R248-A250 PolarHBondContact O-N 3.19Å; R248-D251 PolarHBondContact O-N 3.25Å; R248-Q252 WeakPolarHBondContact O-CG 3.42Å; R248-Q252 PolarHBondContact O-N 3.24Å; R248-A391 PolarHBondContact NE-O 3.49Å; R248-A391 PolarHBondContact NH1-O 2.78Å; R248-A391 VanDerWaalsContact NH1-O 3.13Å; R248-A391 VanDerWaalsContact NH2-C 3.26Å; R248-A391 PolarHBondContact NH2-O 3.38Å; R248-H392 PolarHBondContact NH1-CE1 2.93Å; R248-H392 PolarHBondContact NH1-ND1 3.23Å; R248-H392 VanDerWaalsContact NH1-ND1 3.13Å
249L92Very high89.4Confident0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-61.2-41.8176.4-62.8178.5000111.1D228 L245 C246 Q252 R253 N260 I262 V285 L289 F291D228-L249 HydrophobicContact CB-CD2 3.86Å; L245-L249 HydrophobicContact CD1-CD1 3.93Å; L245-L249 HydrophobicContact CD1-CD2 4.23Å; L245-L249 HydrophobicContact CD1-CG 3.94Å; L245-L249 HydrophobicContact CG-CD1 3.96Å; L245-L249 HydrophobicContact CG-CG 4.3Å; L245-L249 VanDerWaalsContact O-CG 3.32Å; L245-L249 WeakPolarHBondContact O-CG 3.44Å; L245-L249 PolarHBondContact O-N 2.96Å; C246-L249 PolarHBondContact O-N 2.93Å; L249-Q252 PolarHBondContact O-N 2.96Å; L249-R253 WeakPolarHBondContact O-CB 3.31Å; L249-R253 PolarHBondContact O-N 3.4Å; L249-N260 HydrophobicContact CD2-CB 3.88Å; L249-I262 HydrophobicContact CD1-CD1 3.96Å; L249-I262 HydrophobicContact CD2-CD1 4.36Å; L249-I262 HydrophobicContact CD2-CG1 4.35Å; L249-V285 HydrophobicContact CD1-CG1 4.17Å; L249-V285 HydrophobicContact CD1-CG2 3.73Å; L249-L289 HydrophobicContact CB-CD1 3.81Å; L249-L289 HydrophobicContact CD1-CD1 4.14Å; L249-F291 HydrophobicContact CB-CE2 4.15Å
250A91.6Very high89.5Confident38 Ų3847.8 Ų47.831%0.31425%0.254SS..Hα-helixtrans-64.4-42.6176.400000112.5C246 R247 R248 R253 S254 L289C246-A250 WeakPolarHBondContact O-CB 3.37Å; C246-A250 PolarHBondContact O-N 2.83Å; R247-A250 PolarHBondContact O-N 3.02Å; R248-A250 VanDerWaalsContact C-N 3.29Å; R248-A250 PolarHBondContact O-N 3.19Å; A250-R253 WeakPolarHBondContact O-CB 3.5Å; A250-R253 PolarHBondContact O-N 3.39Å; A250-S254 PolarHBondContact O-N 3.44Å; A250-L289 HydrophobicContact CB-CD2 4.32Å
251D88.3Confident89.7Confident41 Ų4146.7 Ų46.722%0.21924%0.241CC..Hα-helixtrans-64.5-42.5176.2171.174.5000112.3R247 R248 R253 S254 R255R247-D251 WeakPolarHBondContact O-CB 3.4Å; R247-D251 PolarHBondContact O-N 3.24Å; R248-D251 PolarHBondContact O-N 3.25Å; D251-R253 VanDerWaalsContact C-N 3.27Å; D251-R253 PolarHBondContact O-N 3.49Å; D251-S254 PolarHBondContact O-N 3.4Å; D251-S254 PolarHBondContact O-OG 2.71Å; D251-R255 VanDerWaalsContact CG-NE 3.26Å; D251-R255 VanDerWaalsContact CG-NH2 3.32Å; D251-R255 WeakPolarHBondContact O-CB 3.47Å; D251-R255 VanDerWaalsContact O-CG 3.24Å; D251-R255 WeakPolarHBondContact O-CG 3.5Å; D251-R255 PolarHBondContact O-N 3.35Å; D251-R255 IonicContact OD1-CZ 3.02Å; D251-R255 VanDerWaalsContact OD1-CZ 3.3Å; D251-R255 IonicContact OD1-NE 3.53Å; D251-R255 PolarHBondContact OD1-NE 2.9Å; D251-R255 IonicContact OD1-NH2 3.93Å; D251-R255 PolarHBondContact OD1-NH2 3.39Å; D251-R255 IonicContact OD2-CZ 2.83Å; D251-R255 IonicContact OD2-NE 2.68Å; D251-R255 PolarHBondContact OD2-NE 2.93Å; D251-R255 IonicContact OD2-NH1 3.13Å; D251-R255 IonicContact OD2-NH2 3.41Å; D251-R255 PolarHBondContact OD2-NH2 2.92Å
252Q86.4Confident89.9Confident16 Ų1646.2 Ų46.28%0.07524%0.239CC..Hα-helixtrans-64-36.8175.1-67.8-59.9-6300111.6D228 R248 L249 S257D228-Q252 WeakPolarHBondContact OD1-CG 3.49Å; R248-Q252 WeakPolarHBondContact O-CG 3.42Å; R248-Q252 PolarHBondContact O-N 3.24Å; L249-Q252 PolarHBondContact O-N 2.96Å; Q252-S257 WeakPolarHBondContact O-CB 3.18Å; Q252-S257 PolarHBondContact O-N 2.97Å
253R87.1Confident90Very high44 Ų4443.8 Ų43.817%0.16623%0.227CC..Hα-helixtrans-66.8-44.4175.4-168.467.560.11747.5111.8Q202 R203 L249 A250 D251 R255 G256 S257 R258 N260 F291Q202-R253 PolarHBondContact O-NH1 3.37Å; Q202-R253 PolarHBondContact O-NH2 3.47Å; R203-R253 PolarHBondContact O-NH2 3.45Å; L249-R253 WeakPolarHBondContact O-CB 3.31Å; L249-R253 PolarHBondContact O-N 3.4Å; A250-R253 WeakPolarHBondContact O-CB 3.5Å; A250-R253 PolarHBondContact O-N 3.39Å; D251-R253 VanDerWaalsContact C-N 3.27Å; D251-R253 PolarHBondContact O-N 3.49Å; R253-R255 VanDerWaalsContact C-N 3.27Å; R253-R255 PolarHBondContact O-N 2.91Å; R253-G256 WeakPolarHBondContact O-CA 3.38Å; R253-G256 PolarHBondContact O-N 3.46Å; R253-S257 VanDerWaalsContact CD-O 3.3Å; R253-S257 WeakPolarHBondContact CD-O 3.43Å; R253-S257 PolarHBondContact NH1-O 2.83Å; R253-R258 PolarHBondContact NH1-O 3.16Å; R253-N260 PolarHBondContact NE-OD1 2.77Å; R253-N260 PolarHBondContact NH2-OD1 2.88Å; R253-F291 HydrophobicContact CB-CE2 4.28Å; R253-F291 HydrophobicContact CB-CZ 3.87Å; R253-F291 HydrophobicContact CG-CE1 4.38Å; R253-F291 HydrophobicContact CG-CE2 4.45Å; R253-F291 HydrophobicContact CG-CZ 3.84Å
254S86.6Confident90.2Very high96 Ų9639.3 Ų39.367%0.67120%0.204SC*.Hα-helixtrans-65.8-31.4178.772.10000112.3A250 D251 G256A250-S254 PolarHBondContact O-N 3.44Å; D251-S254 PolarHBondContact O-N 3.4Å; D251-S254 PolarHBondContact O-OG 2.71Å; S254-G256 PolarHBondContact O-N 3.02Å
255R82.3Confident90.6Very high70 Ų7036 Ų3626%0.26419%0.189SC..THydrogen-bonded Turntrans-71.91.2170.7-67.5174.5-167.9-161.99.6113.4D251 R253 N455D251-R255 VanDerWaalsContact CG-NE 3.26Å; D251-R255 VanDerWaalsContact CG-NH2 3.32Å; D251-R255 WeakPolarHBondContact O-CB 3.47Å; D251-R255 VanDerWaalsContact O-CG 3.24Å; D251-R255 WeakPolarHBondContact O-CG 3.5Å; D251-R255 PolarHBondContact O-N 3.35Å; D251-R255 IonicContact OD1-CZ 3.02Å; D251-R255 VanDerWaalsContact OD1-CZ 3.3Å; D251-R255 IonicContact OD1-NE 3.53Å; D251-R255 PolarHBondContact OD1-NE 2.9Å; D251-R255 IonicContact OD1-NH2 3.93Å; D251-R255 PolarHBondContact OD1-NH2 3.39Å; D251-R255 IonicContact OD2-CZ 2.83Å; D251-R255 IonicContact OD2-NE 2.68Å; D251-R255 PolarHBondContact OD2-NE 2.93Å; D251-R255 IonicContact OD2-NH1 3.13Å; D251-R255 IonicContact OD2-NH2 3.41Å; D251-R255 PolarHBondContact OD2-NH2 2.92Å; R253-R255 VanDerWaalsContact C-N 3.27Å; R253-R255 PolarHBondContact O-N 2.91Å; R255-N455 PolarHBondContact O-ND2 3.22Å; R255-N455 PolarHBondContact O-OD1 3.29Å
256G82.4Confident90.7Very high56 Ų5639.8 Ų39.858%0.57721%0.206SC*.THydrogen-bonded Turntrans93.38.7175.200000114.6R253 S254 R258R253-G256 WeakPolarHBondContact O-CA 3.38Å; R253-G256 PolarHBondContact O-N 3.46Å; S254-G256 PolarHBondContact O-N 3.02Å; G256-R258 PolarHBondContact O-N 3.16Å
257S84.5Confident90.7Very high26 Ų2639.9 Ų39.918%0.18221%0.209CC..  trans-64124.1170.5-170.40000110.1Q252 R253 L259Q252-S257 WeakPolarHBondContact O-CB 3.18Å; Q252-S257 PolarHBondContact O-N 2.97Å; R253-S257 VanDerWaalsContact CD-O 3.3Å; R253-S257 WeakPolarHBondContact CD-O 3.43Å; R253-S257 PolarHBondContact NH1-O 2.83Å; S257-L259 VanDerWaalsContact C-N 3.28Å; S257-L259 PolarHBondContact OG-N 2.94Å; S257-L259 PolarHBondContact OG-O 2.86Å
258R86.6Confident91Very high116 Ų11631.2 Ų31.244%0.43818%0.177SC..SBendtrans-83-6.8173.7-64-177.162.691.41.9112.7Q199 S200 Q202 R253 G256Q199-R258 PolarHBondContact O-NE 2.98Å; Q199-R258 PolarHBondContact O-NH2 2.9Å; Q199-R258 VanDerWaalsContact O-NH2 3.16Å; S200-R258 PolarHBondContact O-NH2 2.93Å; Q202-R258 CarbonylContact C-O 3.56Å; Q202-R258 WeakPolarHBondContact CA-O 3.4Å; Q202-R258 HydrophobicContact CG-CB 4.42Å; R253-R258 PolarHBondContact NH1-O 3.16Å; G256-R258 PolarHBondContact O-N 3.16Å
259L89.6Confident91.3Very high17 Ų1731.9 Ų31.99%0.08918%0.182CC..  trans-133.3138.7-174.217358.9000109.5T195 A198 Q199 S257 V261T195-L259 HydrophobicContact CG2-CD2 3.72Å; A198-L259 HydrophobicContact CB-CD1 3.22Å; A198-L259 HydrophobicContact CB-CG 4.46Å; Q199-L259 HydrophobicContact CG-CB 4.07Å; Q199-L259 HydrophobicContact CG-CD2 4.26Å; S257-L259 VanDerWaalsContact C-N 3.28Å; S257-L259 PolarHBondContact OG-N 2.94Å; S257-L259 PolarHBondContact OG-O 2.86Å; L259-V261 HydrophobicContact CD1-CG2 3.9Å; L259-V261 HydrophobicContact CD2-CG2 3.73Å; L259-V261 HydrophobicContact CG-CG2 3.71Å
260N92.1Very high91.4Very high0 Ų033 Ų330%019%0.189CC..EExtended strand (participates in β ladder)trans-119.1132.3159.2-64119.5000110.7R203 T204 F205 D228 L249 R253R203-N260 PolarHBondContact O-N 2.87Å; T204-N260 CarbonylContact C-O 3.45Å; T204-N260 WeakPolarHBondContact CA-O 3.39Å; T204-N260 HydrophobicContact CG2-CB 3.85Å; F205-N260 PolarHBondContact N-O 2.96Å; D228-N260 PolarHBondContact OD1-ND2 2.87Å; D228-N260 WeakPolarHBondContact OD2-CA 3.35Å; L249-N260 HydrophobicContact CD2-CB 3.88Å; R253-N260 PolarHBondContact NE-OD1 2.77Å; R253-N260 PolarHBondContact NH2-OD1 2.88Å
261V93.4Very high91.5Very high11 Ų1136.3 Ų36.37%0.06719%0.193CC..EExtended strand (participates in β ladder)trans-121.1124.6176.3-177.70000109.4F205 L207 A227 D228 W229 L259 I263F205-V261 WeakPolarHBondContact O-CA 3.05Å; L207-V261 HydrophobicContact CD1-CG1 4.02Å; A227-V261 HydrophobicContact CB-CB 4.45Å; A227-V261 HydrophobicContact CB-CG1 4.29Å; D228-V261 PolarHBondContact N-O 3.01Å; D228-V261 PolarHBondContact OD2-N 2.92Å; W229-V261 PolarHBondContact N-O 2.87Å; L259-V261 HydrophobicContact CD1-CG2 3.9Å; L259-V261 HydrophobicContact CD2-CG2 3.73Å; L259-V261 HydrophobicContact CG-CG2 3.71Å; V261-I263 HydrophobicContact CG1-CD1 3.71Å; V261-I263 HydrophobicContact CG1-CG1 4.35Å
262I96.8Very high91.6Very high0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-115.1124.6173.8-59.6168.4000107.1T204 F205 I206 L207 W229 F231 L245 L249 V264 I281 V285T204-I262 HydrophobicContact CG2-CD1 4.12Å; F205-I262 PolarHBondContact O-N 2.79Å; I206-I262 CarbonylContact C-O 3.57Å; I206-I262 WeakPolarHBondContact CA-O 3.38Å; I206-I262 HydrophobicContact CG1-CB 4.23Å; I206-I262 HydrophobicContact CG1-CD1 4.1Å; L207-I262 PolarHBondContact N-O 2.77Å; W229-I262 HydrophobicContact CB-CG1 4.33Å; W229-I262 HydrophobicContact CB-CG2 4.27Å; W229-I262 WeakPolarHBondContact O-CA 3.32Å; F231-I262 HydrophobicContact CD2-CG2 4.02Å; F231-I262 HydrophobicContact CE2-CG2 3.76Å; L245-I262 HydrophobicContact CD1-CD1 4.15Å; L245-I262 HydrophobicContact CD1-CG1 4.49Å; L245-I262 HydrophobicContact CD2-CD1 4.38Å; L249-I262 HydrophobicContact CD1-CD1 3.96Å; L249-I262 HydrophobicContact CD2-CD1 4.36Å; L249-I262 HydrophobicContact CD2-CG1 4.35Å; I262-V264 HydrophobicContact CG2-CG2 4.04Å; I262-I281 HydrophobicContact CD1-CG2 3.93Å; I262-V285 HydrophobicContact CD1-CG2 4.36Å
263I97.8Very high91.7Very high0 Ų041.8 Ų41.80%024%0.235CC..EExtended strand (participates in β ladder)trans-101.9131174.6-53.9-58.7000108.7L207 V209 A218 A222 A227 W229 V230 F231 V261L207-I263 HydrophobicContact CB-CD1 3.84Å; L207-I263 HydrophobicContact CD1-CD1 3.8Å; L207-I263 HydrophobicContact CG-CD1 4.23Å; V209-I263 HydrophobicContact CB-CG2 4.48Å; V209-I263 HydrophobicContact CG2-CG2 3.75Å; A218-I263 HydrophobicContact CB-CG2 3.8Å; A222-I263 HydrophobicContact CB-CB 4.45Å; A222-I263 HydrophobicContact CB-CG1 4.19Å; A227-I263 HydrophobicContact CB-CG1 3.76Å; W229-I263 PolarHBondContact O-N 3.24Å; V230-I263 CarbonylContact C-O 3.58Å; V230-I263 VanDerWaalsContact CA-O 3.27Å; V230-I263 WeakPolarHBondContact CA-O 3.31Å; V230-I263 HydrophobicContact CG2-CB 4.14Å; V230-I263 HydrophobicContact CG2-CG2 4.33Å; F231-I263 PolarHBondContact N-O 2.98Å; V261-I263 HydrophobicContact CG1-CD1 3.71Å; V261-I263 HydrophobicContact CG1-CG1 4.35Å
264V98.1Very high92Very high2 Ų246.5 Ų46.51%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-123.1119-178.9-1720000108.1I206 L207 E208 V209 F231 I262 A268 I281I206-V264 HydrophobicContact CG2-CG2 3.6Å; L207-V264 PolarHBondContact O-N 3.19Å; E208-V264 WeakPolarHBondContact CA-O 3.36Å; V209-V264 PolarHBondContact N-O 2.49Å; F231-V264 HydrophobicContact CB-CG1 4.29Å; F231-V264 HydrophobicContact CD2-CG2 4.02Å; I262-V264 HydrophobicContact CG2-CG2 4.04Å; V264-A268 HydrophobicContact CG1-CB 3.97Å; V264-I281 HydrophobicContact CG1-CD1 4.42Å; V264-I281 HydrophobicContact CG2-CD1 3.59Å
265A98.1Very high92.4Very high3 Ų345.3 Ų45.33%0.02525%0.252CS..EExtended strand (participates in β ladder)trans-68.5141.8168.100000109.7V209 A218 F231 G267 A268V209-A265 CarbonylContact O-C 3.6Å; A218-A265 HydrophobicContact CB-CB 3.79Å; F231-A265 VanDerWaalsContact O-CB 3.3Å; F231-A265 WeakPolarHBondContact O-CB 3.31Å; F231-A265 PolarHBondContact O-N 2.87Å; A265-G267 PolarHBondContact O-N 3.01Å; A265-G267 VanDerWaalsContact O-N 3.11Å; A265-A268 WeakPolarHBondContact O-CB 3.32Å; A265-A268 PolarHBondContact O-N 3.31Å
266E95.8Very high93.1Very high80 Ų8042.3 Ų42.337%0.37424%0.241SC..THydrogen-bonded Turntrans-57.9-28.2177.870.1-175.5167.400112.9V209 G211 R212V209-E266 PolarHBondContact O-N 2.85Å; G211-E266 PolarHBondContact N-OE1 3.39Å; R212-E266 VanDerWaalsContact CA-OE1 3.26Å; R212-E266 WeakPolarHBondContact CA-OE1 3.29Å; R212-E266 PolarHBondContact N-OE1 2.84Å
267G95.3Very high93.7Very high12 Ų1242.9 Ų42.912%0.12423%0.233CC..THydrogen-bonded Turntrans-89.313.8174.800000115.3R212 P233 A265 I269R212-G267 WeakPolarHBondContact O-CA 3.17Å; R212-G267 PolarHBondContact O-N 3.36Å; P233-G267 WeakPolarHBondContact CB-O 3.36Å; A265-G267 PolarHBondContact O-N 3.01Å; A265-G267 VanDerWaalsContact O-N 3.11Å; G267-I269 PolarHBondContact O-N 3.49Å
268A97.1Very high94.2Very high3 Ų341.8 Ų41.83%0.02523%0.226CC..  trans-60.7131.9-177.500000112.4F231 V264 A265 I276F231-A268 HydrophobicContact CB-CB 3.77Å; V264-A268 HydrophobicContact CG1-CB 3.97Å; A265-A268 WeakPolarHBondContact O-CB 3.32Å; A265-A268 PolarHBondContact O-N 3.31Å; A268-I276 HydrophobicContact CB-CB 4.24Å; A268-I276 PolarHBondContact O-N 3.36Å
269I96Very high94.6Very high39 Ų3941.2 Ų41.220%0.223%0.232CC..BIsolated β-bridgetrans-134.2161.3-179.157.4170.3000111.2P233 P236 G267 K274 I276P233-I269 HydrophobicContact CB-CG1 4.45Å; P236-I269 VanDerWaalsContact CB-O 3.32Å; P236-I269 WeakPolarHBondContact CB-O 3.49Å; P236-I269 HydrophobicContact CG-CD1 4.24Å; P236-I269 HydrophobicContact CG-CG1 3.89Å; G267-I269 PolarHBondContact O-N 3.49Å; I269-K274 CarbonylContact C-O 3.57Å; I269-K274 WeakPolarHBondContact CA-O 3.47Å; I269-I276 WeakPolarHBondContact O-CD1 3.22Å
270T94.5Very high94.9Very high23 Ų2344.1 Ų44.114%0.14125%0.245CC..  trans-81.2169.3164.167.20000110.7D272 G273 K274 I276T270-D272 PolarHBondContact O-N 3.49Å; T270-D272 PolarHBondContact OG1-N 2.87Å; T270-G273 PolarHBondContact O-N 3.31Å; T270-K274 HydrophobicContact CG2-CB 4.46Å; T270-K274 PolarHBondContact N-O 3.49Å; T270-K274 PolarHBondContact OG1-N 3.47Å; T270-K274 PolarHBondContact OG1-O 3.41Å; T270-I276 HydrophobicContact CG2-CD1 3.89Å; T270-I276 HydrophobicContact CG2-CG1 3.65Å
271R92.6Very high95.1Very high108 Ų10844.1 Ų44.141%0.40825%0.245SC..THydrogen-bonded Turntrans-59.4-28.1173.9-72.8179.3168.7-106.22.9113.2P236 D238 G273 F369P236-R271 HydrophobicContact CB-CG 4Å; D238-R271 IonicContact OD1-CZ 2.69Å; D238-R271 IonicContact OD1-NE 2.71Å; D238-R271 PolarHBondContact OD1-NE 3.23Å; D238-R271 IonicContact OD1-NH2 2.73Å; D238-R271 PolarHBondContact OD1-NH2 3.18Å; R271-G273 PolarHBondContact O-N 3.22Å; R271-F369 HydrophobicContact CB-CE2 4.26Å; R271-F369 HydrophobicContact CG-CE2 4.05Å
272D89.9Confident95.2Very high123 Ų12347.1 Ų47.166%0.65826%0.257SS*.THydrogen-bonded Turntrans-78.80.7173.3-58.9-31000114T270T270-D272 PolarHBondContact O-N 3.49Å; T270-D272 PolarHBondContact OG1-N 2.87Å
273G88.8Confident95.2Very high49 Ų4953.1 Ų53.151%0.50528%0.283SS..SBendtrans79.711.1-179.400000115.3T270 R271T270-G273 PolarHBondContact O-N 3.31Å; R271-G273 PolarHBondContact O-N 3.22Å
274K93.6Very high95.1Very high143 Ų14354 Ų5462%0.62229%0.287SS*.  trans-80.4137.9174.5-64.6176.8-176.61650110.1I269 T270I269-K274 CarbonylContact C-O 3.57Å; I269-K274 WeakPolarHBondContact CA-O 3.47Å; T270-K274 HydrophobicContact CG2-CB 4.46Å; T270-K274 PolarHBondContact N-O 3.49Å; T270-K274 PolarHBondContact OG1-N 3.47Å; T270-K274 PolarHBondContact OG1-O 3.41Å
275A95.4Very high95Very high70 Ų7053.9 Ų53.958%0.57929%0.287SS*.BIsolated β-bridgetrans-63.4137.5177.500000111.7
276I96.1Very high94.8Very high7 Ų756.7 Ų56.74%0.03630%0.303CS..  trans-100.8114171.9-60.3176.2000107.7F231 P237 W241 A268 I269 T270 I281F231-I276 HydrophobicContact CD1-CD1 3.8Å; F231-I276 HydrophobicContact CD1-CG2 4.17Å; F231-I276 HydrophobicContact CE1-CD1 4.13Å; F231-I276 HydrophobicContact CE1-CG2 4.3Å; P237-I276 HydrophobicContact CG-CD1 3.65Å; W241-I276 HydrophobicContact CH2-CG2 4.3Å; W241-I276 HydrophobicContact CZ2-CG2 4.36Å; A268-I276 HydrophobicContact CB-CB 4.24Å; A268-I276 PolarHBondContact O-N 3.36Å; I269-I276 WeakPolarHBondContact O-CD1 3.22Å; T270-I276 HydrophobicContact CG2-CD1 3.89Å; T270-I276 HydrophobicContact CG2-CG1 3.65Å; I276-I281 HydrophobicContact CG2-CD1 3.83Å; I276-I281 HydrophobicContact CG2-CG1 4.06Å
277T95.6Very high94.8Very high68 Ų6859.2 Ų59.242%0.41732%0.315SS..  trans-98.4152.7-177.470.30000112.3D279 Q280 I281T277-D279 PolarHBondContact O-N 2.8Å; T277-Q280 WeakPolarHBondContact O-CB 3.34Å; T277-Q280 PolarHBondContact O-N 3.23Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.43Å; T277-Q280 PolarHBondContact OG1-N 3.45Å; T277-I281 WeakPolarHBondContact O-CG1 3.43Å; T277-I281 PolarHBondContact O-N 2.78Å
278S95.4Very high94.8Very high3 Ų365 Ų652%0.02133%0.334CS..Hα-helixtrans-59.9-33.2174.556.80000113.1E208 I281 K282 T295E208-S278 PolarHBondContact OE2-OG 3.25Å; S278-I281 PolarHBondContact O-N 3.29Å; S278-K282 WeakPolarHBondContact O-CB 3.48Å; S278-K282 PolarHBondContact O-N 3.4Å; S278-T295 VanDerWaalsContact CB-CG2 3.47Å; S278-T295 WeakPolarHBondContact OG-CG2 3.26Å
279D95Very high94.6Very high105 Ų10567 Ų6756%0.56134%0.343SS*.Hα-helixtrans-70.7-38178.2-74.1-28.1000112.3T277 I281 K282 K283T277-D279 PolarHBondContact O-N 2.8Å; D279-I281 VanDerWaalsContact C-N 3.34Å; D279-I281 PolarHBondContact O-N 3.04Å; D279-K282 PolarHBondContact O-N 3.27Å; D279-K283 WeakPolarHBondContact O-CB 3.27Å; D279-K283 PolarHBondContact O-N 3.03Å
280Q95.3Very high94.4Very high78 Ų7868.1 Ų68.136%0.36437%0.365SS..Hα-helixtrans-59.6-46.8172.6179.2-176.8-7.600110.7T277 K283 L284T277-Q280 WeakPolarHBondContact O-CB 3.34Å; T277-Q280 PolarHBondContact O-N 3.23Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.43Å; T277-Q280 PolarHBondContact OG1-N 3.45Å; Q280-K283 PolarHBondContact O-N 3.35Å; Q280-L284 WeakPolarHBondContact O-CB 3.38Å; Q280-L284 PolarHBondContact O-N 3.3Å
281I96.1Very high94.3Very high0 Ų068.9 Ų68.90%037%0.366CS..Hα-helixtrans-64.2-43.1178.2-61163.2000110.4I206 F231 W241 L245 I262 V264 I276 T277 S278 D279 K283 L284 V285I206-I281 HydrophobicContact CD1-CB 3.95Å; I206-I281 HydrophobicContact CD1-CG2 3.63Å; I206-I281 HydrophobicContact CG1-CG2 4.06Å; F231-I281 HydrophobicContact CD2-CD1 3.78Å; F231-I281 HydrophobicContact CE2-CD1 3.52Å; F231-I281 HydrophobicContact CE2-CG1 4.26Å; F231-I281 HydrophobicContact CG-CD1 4.49Å; F231-I281 HydrophobicContact CZ-CD1 4.06Å; F231-I281 HydrophobicContact CZ-CG1 4.41Å; W241-I281 HydrophobicContact CH2-CG1 4.04Å; W241-I281 HydrophobicContact CZ3-CG1 4.34Å; L245-I281 HydrophobicContact CD2-CG2 4.03Å; I262-I281 HydrophobicContact CD1-CG2 3.93Å; V264-I281 HydrophobicContact CG1-CD1 4.42Å; V264-I281 HydrophobicContact CG2-CD1 3.59Å; I276-I281 HydrophobicContact CG2-CD1 3.83Å; I276-I281 HydrophobicContact CG2-CG1 4.06Å; T277-I281 WeakPolarHBondContact O-CG1 3.43Å; T277-I281 PolarHBondContact O-N 2.78Å; S278-I281 PolarHBondContact O-N 3.29Å; D279-I281 VanDerWaalsContact C-N 3.34Å; D279-I281 PolarHBondContact O-N 3.04Å; I281-K283 PolarHBondContact O-N 3.32Å; I281-L284 WeakPolarHBondContact O-CB 3.42Å; I281-L284 PolarHBondContact O-N 3.03Å; I281-V285 HydrophobicContact CG2-CG2 4.25Å; I281-V285 WeakPolarHBondContact O-CG2 3.21Å; I281-V285 PolarHBondContact O-N 3.09Å
282K96.9Very high94.4Very high74 Ų7466.8 Ų66.832%0.32236%0.363SS..Hα-helixtrans-59.2-48.7177.9179.5-177.2174.4-171.30111.6I206 S278 D279 V285 T286 T293I206-K282 VanDerWaalsContact CD1-CA 3.46Å; I206-K282 HydrophobicContact CD1-CB 3.72Å; I206-K282 VanDerWaalsContact CD1-N 3.32Å; S278-K282 WeakPolarHBondContact O-CB 3.48Å; S278-K282 PolarHBondContact O-N 3.4Å; D279-K282 PolarHBondContact O-N 3.27Å; K282-V285 PolarHBondContact O-N 2.78Å; K282-T286 WeakPolarHBondContact O-CB 3.38Å; K282-T286 PolarHBondContact O-N 3.39Å; K282-T286 PolarHBondContact O-OG1 3.4Å; K282-T293 HydrophobicContact CB-CG2 4.37Å; K282-T293 HydrophobicContact CG-CG2 4.06Å
283K96.4Very high94.6Very high126 Ų12661 Ų6155%0.54833%0.332SS..Hα-helixtrans-59.2-48.6178-174.2178.3179.9-176.70110.4D279 Q280 I281 V285 T286 E287D279-K283 WeakPolarHBondContact O-CB 3.27Å; D279-K283 PolarHBondContact O-N 3.03Å; Q280-K283 PolarHBondContact O-N 3.35Å; I281-K283 PolarHBondContact O-N 3.32Å; K283-V285 PolarHBondContact O-N 3.44Å; K283-T286 PolarHBondContact O-N 2.88Å; K283-E287 VanDerWaalsContact CE-CD 3.44Å; K283-E287 WeakPolarHBondContact CE-OE1 3.17Å; K283-E287 WeakPolarHBondContact CE-OE2 3.38Å; K283-E287 VanDerWaalsContact CG-CD 3.47Å; K283-E287 HydrophobicContact CG-CG 4.23Å; K283-E287 WeakPolarHBondContact CG-OE1 3.06Å; K283-E287 IonicContact NZ-OE1 2.62Å; K283-E287 WeakPolarHBondContact O-CB 3.33Å; K283-E287 WeakPolarHBondContact O-CG 3.38Å; K283-E287 PolarHBondContact O-N 2.93Å
284L95.8Very high95Very high18 Ų1863.3 Ų63.39%0.09433%0.325CS..Hα-helixtrans-55.3-51.6178176.169.9000112.6W241 E242 L245 Q280 I281 R288W241-L284 HydrophobicContact CH2-CD2 4.05Å; W241-L284 HydrophobicContact CZ3-CD2 3.86Å; E242-L284 HydrophobicContact CB-CD1 3.87Å; E242-L284 HydrophobicContact CB-CD2 3.64Å; E242-L284 HydrophobicContact CB-CG 4.4Å; E242-L284 HydrophobicContact CG-CD1 4.16Å; E242-L284 HydrophobicContact CG-CD2 3.73Å; L245-L284 HydrophobicContact CD2-CD2 4.24Å; Q280-L284 WeakPolarHBondContact O-CB 3.38Å; Q280-L284 PolarHBondContact O-N 3.3Å; I281-L284 WeakPolarHBondContact O-CB 3.42Å; I281-L284 PolarHBondContact O-N 3.03Å; L284-R288 HydrophobicContact CD1-CG 4.11Å; L284-R288 VanDerWaalsContact CD1-NE 3.32Å; L284-R288 WeakPolarHBondContact O-CB 3.36Å; L284-R288 PolarHBondContact O-N 2.98Å
285V95.1Very high95.1Very high0 Ų058.3 Ų58.30%031%0.307CS..Hα-helixtrans-67.6-39.6-177.4174.80000111.1T204 L245 L249 I262 I281 K282 K283 L289 G290 F291 T293T204-V285 HydrophobicContact CG2-CG1 4.29Å; L245-V285 HydrophobicContact CD2-CG2 4.36Å; L249-V285 HydrophobicContact CD1-CG1 4.17Å; L249-V285 HydrophobicContact CD1-CG2 3.73Å; I262-V285 HydrophobicContact CD1-CG2 4.36Å; I281-V285 HydrophobicContact CG2-CG2 4.25Å; I281-V285 WeakPolarHBondContact O-CG2 3.21Å; I281-V285 PolarHBondContact O-N 3.09Å; K282-V285 PolarHBondContact O-N 2.78Å; K283-V285 PolarHBondContact O-N 3.44Å; V285-L289 HydrophobicContact CG1-CD1 4.37Å; V285-L289 WeakPolarHBondContact O-CB 3.47Å; V285-L289 PolarHBondContact O-N 2.85Å; V285-G290 PolarHBondContact O-N 3.16Å; V285-F291 HydrophobicContact CG1-CB 4.02Å; V285-F291 HydrophobicContact CG1-CD2 4.36Å; V285-T293 HydrophobicContact CB-CG2 4.46Å; V285-T293 HydrophobicContact CG1-CG2 4.42Å; V285-T293 VanDerWaalsContact CG1-OG1 3.27Å; V285-T293 WeakPolarHBondContact CG1-OG1 3.46Å
286T94.9Very high95.1Very high61 Ų6157.1 Ų57.137%0.37429%0.293SS..Hα-helixtrans-67.9-47.8179.8-52.50000111.3K282 K283 G290K282-T286 WeakPolarHBondContact O-CB 3.38Å; K282-T286 PolarHBondContact O-N 3.39Å; K282-T286 PolarHBondContact O-OG1 3.4Å; K283-T286 PolarHBondContact O-N 2.88Å; T286-G290 VanDerWaalsContact O-CA 3.22Å; T286-G290 WeakPolarHBondContact O-CA 3.37Å; T286-G290 PolarHBondContact O-N 3.09Å
287E95.1Very high95.1Very high134 Ų13461.7 Ų61.763%0.62632%0.316SS*.Hα-helixtrans-72.2-39.3-176.2-70.4177.217200112.7K283K283-E287 VanDerWaalsContact CE-CD 3.44Å; K283-E287 WeakPolarHBondContact CE-OE1 3.17Å; K283-E287 WeakPolarHBondContact CE-OE2 3.38Å; K283-E287 VanDerWaalsContact CG-CD 3.47Å; K283-E287 HydrophobicContact CG-CG 4.23Å; K283-E287 WeakPolarHBondContact CG-OE1 3.06Å; K283-E287 IonicContact NZ-OE1 2.62Å; K283-E287 WeakPolarHBondContact O-CB 3.33Å; K283-E287 WeakPolarHBondContact O-CG 3.38Å; K283-E287 PolarHBondContact O-N 2.93Å
288R94.6Very high95.1Very high134 Ų13459 Ų5951%0.50630%0.299SS..Hα-helixtrans-88.8-34.8-175.7-65.3-166.7-177.8-1750.4114.5N243 L284N243-R288 PolarHBondContact OD1-NH1 3.16Å; L284-R288 HydrophobicContact CD1-CG 4.11Å; L284-R288 VanDerWaalsContact CD1-NE 3.32Å; L284-R288 WeakPolarHBondContact O-CB 3.36Å; L284-R288 PolarHBondContact O-N 2.98Å
289L92.8Very high95.1Very high44 Ų4459.9 Ų59.923%0.2331%0.309CS..Hα-helixtrans-107.6-14.7-176.8-59.9-176.7000113.5C246 L249 A250 V285 F291C246-L289 HydrophobicContact CB-CD1 4.32Å; C246-L289 HydrophobicContact CB-CD2 3.98Å; C246-L289 HydrophobicContact CB-CG 4.21Å; L249-L289 HydrophobicContact CB-CD1 3.81Å; L249-L289 HydrophobicContact CD1-CD1 4.14Å; A250-L289 HydrophobicContact CB-CD2 4.32Å; V285-L289 HydrophobicContact CG1-CD1 4.37Å; V285-L289 WeakPolarHBondContact O-CB 3.47Å; V285-L289 PolarHBondContact O-N 2.85Å; L289-F291 HydrophobicContact CB-CD1 3.87Å; L289-F291 HydrophobicContact CB-CD2 4.18Å; L289-F291 HydrophobicContact CB-CE1 4.07Å; L289-F291 HydrophobicContact CB-CE2 4.39Å; L289-F291 HydrophobicContact CB-CG 3.93Å; L289-F291 HydrophobicContact CB-CZ 4.33Å; L289-F291 HydrophobicContact CD1-CD2 3.92Å; L289-F291 HydrophobicContact CD1-CE2 3.77Å; L289-F291 HydrophobicContact CD1-CZ 4.2Å; L289-F291 VanDerWaalsContact O-CD1 3.3Å; L289-F291 WeakPolarHBondContact O-CD1 3.3Å; L289-F291 PolarHBondContact O-N 3.08Å
290G92.4Very high95Very high63 Ų6361.5 Ų61.565%0.64931%0.312SS*.  trans67.213.9-174.600000114.1V285 T286V285-G290 PolarHBondContact O-N 3.16Å; T286-G290 VanDerWaalsContact O-CA 3.22Å; T286-G290 WeakPolarHBondContact O-CA 3.37Å; T286-G290 PolarHBondContact O-N 3.09Å
291F93.1Very high95Very high38 Ų3861.5 Ų61.517%0.16732%0.318CS..  trans-75.9135.7-178.3-69.3-0.2000111.1L249 R253 V285 L289 T293L249-F291 HydrophobicContact CB-CE2 4.15Å; R253-F291 HydrophobicContact CB-CE2 4.28Å; R253-F291 HydrophobicContact CB-CZ 3.87Å; R253-F291 HydrophobicContact CG-CE1 4.38Å; R253-F291 HydrophobicContact CG-CE2 4.45Å; R253-F291 HydrophobicContact CG-CZ 3.84Å; V285-F291 HydrophobicContact CG1-CB 4.02Å; V285-F291 HydrophobicContact CG1-CD2 4.36Å; L289-F291 HydrophobicContact CB-CD1 3.87Å; L289-F291 HydrophobicContact CB-CD2 4.18Å; L289-F291 HydrophobicContact CB-CE1 4.07Å; L289-F291 HydrophobicContact CB-CE2 4.39Å; L289-F291 HydrophobicContact CB-CG 3.93Å; L289-F291 HydrophobicContact CB-CZ 4.33Å; L289-F291 HydrophobicContact CD1-CD2 3.92Å; L289-F291 HydrophobicContact CD1-CE2 3.77Å; L289-F291 HydrophobicContact CD1-CZ 4.2Å; L289-F291 VanDerWaalsContact O-CD1 3.3Å; L289-F291 WeakPolarHBondContact O-CD1 3.3Å; L289-F291 PolarHBondContact O-N 3.08Å; F291-T293 PolarHBondContact O-N 3.43Å; F291-T293 PolarHBondContact O-OG1 3.07Å
292D93.3Very high95Very high64 Ų6461.6 Ų61.634%0.34232%0.318SS..  trans-65.5101.4172.7-173.823.8000110.1R203 T204 R294R203-D292 WeakPolarHBondContact CA-O 3.47Å; R203-D292 HydrophobicContact CG-CB 4.16Å; R203-D292 IonicContact CZ-OD2 3.48Å; R203-D292 IonicContact NE-OD2 3.92Å; R203-D292 PolarHBondContact NE-OD2 3.1Å; R203-D292 IonicContact NH2-OD2 2.75Å; R203-D292 PolarHBondContact NH2-OD2 3.2Å; T204-D292 PolarHBondContact N-O 3.2Å; D292-R294 IonicContact OD1-CZ 3.77Å; D292-R294 IonicContact OD1-NH1 2.76Å; D292-R294 PolarHBondContact OD1-NH1 3.02Å; D292-R294 IonicContact OD1-NH2 2.7Å; D292-R294 PolarHBondContact OD1-NH2 3.06Å; D292-R294 IonicContact OD2-NH2 3.15Å
293T95.4Very high94.8Very high1 Ų159.9 Ų59.91%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-111133.7-168.8-54.50000111.3T204 I206 K282 V285 F291T204-T293 HydrophobicContact CG2-CG2 4.12Å; T204-T293 CarbonylContact O-C 3.43Å; T204-T293 VanDerWaalsContact O-CA 3.32Å; T204-T293 WeakPolarHBondContact O-CA 3.24Å; I206-T293 HydrophobicContact CD1-CG2 3.6Å; I206-T293 HydrophobicContact CG1-CG2 4.12Å; K282-T293 HydrophobicContact CB-CG2 4.37Å; K282-T293 HydrophobicContact CG-CG2 4.06Å; V285-T293 HydrophobicContact CB-CG2 4.46Å; V285-T293 HydrophobicContact CG1-CG2 4.42Å; V285-T293 VanDerWaalsContact CG1-OG1 3.27Å; V285-T293 WeakPolarHBondContact CG1-OG1 3.46Å; F291-T293 PolarHBondContact O-N 3.43Å; F291-T293 PolarHBondContact O-OG1 3.07Å
294R95.9Very high94.5Very high98 Ų9855.3 Ų55.337%0.3730%0.298SS..EExtended strand (participates in β ladder)trans-125.3145.9178-65.8-67.2176.8-83.1-9.7110.5T204 F205 I206 D292T204-R294 PolarHBondContact O-N 3.26Å; F205-R294 WeakPolarHBondContact CA-O 3.27Å; F205-R294 HydrophobicContact CD1-CB 3.88Å; F205-R294 HydrophobicContact CE1-CB 3.63Å; F205-R294 HydrophobicContact CE1-CG 4.34Å; F205-R294 HydrophobicContact CG-CB 4.49Å; F205-R294 HydrophobicContact CZ-CB 4.02Å; F205-R294 HydrophobicContact CZ-CG 4.29Å; I206-R294 PolarHBondContact N-O 2.83Å; D292-R294 IonicContact OD1-CZ 3.77Å; D292-R294 IonicContact OD1-NH1 2.76Å; D292-R294 PolarHBondContact OD1-NH1 3.02Å; D292-R294 IonicContact OD1-NH2 2.7Å; D292-R294 PolarHBondContact OD1-NH2 3.06Å; D292-R294 IonicContact OD2-NH2 3.15Å
295T95.9Very high94.3Very high38 Ų3856.5 Ų56.523%0.23332%0.315CS..EExtended strand (participates in β ladder)trans-109139.5175.4-56.10000108.6I206 S278 I297I206-T295 CarbonylContact O-C 3.45Å; I206-T295 WeakPolarHBondContact O-CA 3.4Å; S278-T295 VanDerWaalsContact CB-CG2 3.47Å; S278-T295 WeakPolarHBondContact OG-CG2 3.26Å; T295-I297 HydrophobicContact CG2-CG1 4.35Å
296T96.3Very high94.3Very high45 Ų4560.2 Ų60.228%0.27634%0.338SS..EExtended strand (participates in β ladder)trans-134.4116171.3-54.30000109I194 I206 L207 E208 L298I194-T296 HydrophobicContact CD1-CG2 4.02Å; I206-T296 PolarHBondContact O-N 3.42Å; L207-T296 WeakPolarHBondContact CA-O 3.38Å; E208-T296 PolarHBondContact N-O 3.31Å; T296-L298 HydrophobicContact CG2-CD1 4.28Å
297I96.8Very high94.4Very high103 Ų10357.5 Ų57.553%0.52832%0.321SS..EExtended strand (participates in β ladder)trans-93.4110.9174.1-56.7171.9000106.6E208 T295 G299E208-I297 HydrophobicContact CB-CB 4.4Å; E208-I297 HydrophobicContact CB-CG1 4.08Å; E208-I297 HydrophobicContact CB-CG2 4.36Å; T295-I297 HydrophobicContact CG2-CG1 4.35Å; I297-G299 VanDerWaalsContact C-N 3.31Å; I297-G299 PolarHBondContact O-N 3.15Å
298L95.4Very high94.6Very high13 Ų1351.4 Ų51.47%0.06829%0.293CS..  trans-66.6-37.8-176.1-85.463.4000110.9I187 V190 L207 E208 T296 V301 Q302I187-L298 HydrophobicContact CB-CD2 4.08Å; I187-L298 HydrophobicContact CG1-CD2 3.88Å; I187-L298 HydrophobicContact CG2-CD2 3.98Å; V190-L298 HydrophobicContact CB-CD2 4.21Å; V190-L298 HydrophobicContact CB-CG 4.32Å; V190-L298 HydrophobicContact CG1-CD1 4.04Å; V190-L298 HydrophobicContact CG1-CD2 4.35Å; V190-L298 HydrophobicContact CG1-CG 4Å; V190-L298 HydrophobicContact CG2-CD2 4.45Å; V190-L298 HydrophobicContact CG2-CG 4.43Å; L207-L298 HydrophobicContact CB-CD1 4.38Å; E208-L298 PolarHBondContact O-N 3.21Å; T296-L298 HydrophobicContact CG2-CD1 4.28Å; L298-V301 HydrophobicContact CB-CG2 4.05Å; L298-V301 HydrophobicContact CG-CG2 4.5Å; L298-V301 WeakPolarHBondContact O-CG2 3.12Å; L298-Q302 HydrophobicContact CB-CG 4.01Å; L298-Q302 VanDerWaalsContact CB-NE2 3.3Å; L298-Q302 HydrophobicContact CD2-CG 4.17Å
299G94.2Very high94.7Very high21 Ų2145 Ų4522%0.21627%0.269CS..G310 helixtrans57.1-142.1-178.700000112.4I297 V301 Q302I297-G299 VanDerWaalsContact C-N 3.31Å; I297-G299 PolarHBondContact O-N 3.15Å; G299-V301 PolarHBondContact O-N 3.46Å; G299-V301 VanDerWaalsContact O-N 3.15Å; G299-Q302 WeakPolarHBondContact O-CG 3.34Å; G299-Q302 PolarHBondContact O-N 3.24Å; G299-Q302 PolarHBondContact O-NE2 3.17Å
300H93.7Very high94.9Very high138 Ų13845 Ų4564%0.63927%0.268SS*.G310 helixtrans-73.4-5-168-66.280.4000115.3Q302 R303 G304H300-Q302 PolarHBondContact O-N 2.98Å; H300-R303 PolarHBondContact O-N 3.27Å; H300-G304 PolarHBondContact O-N 3.45Å
301V95.1Very high95.1Very high79 Ų7942 Ų4248%0.47924%0.237SC..G310 helixtrans-57.3-22.5170.3-53.50000111.7R186 L298 G299R186-V301 VanDerWaalsContact CG-O 3.3Å; R186-V301 WeakPolarHBondContact CG-O 3.38Å; L298-V301 HydrophobicContact CB-CG2 4.05Å; L298-V301 HydrophobicContact CG-CG2 4.5Å; L298-V301 WeakPolarHBondContact O-CG2 3.12Å; G299-V301 PolarHBondContact O-N 3.46Å; G299-V301 VanDerWaalsContact O-N 3.15Å
302Q96.3Very high95.4Very high1 Ų140.3 Ų40.31%0.00523%0.229CC..G310 helixtrans-72.7-24.8176.7-62.3171.781.300113.4Q30 I167 A183 I187 V209 M210 L298 G299 H300Q30-Q302 PolarHBondContact NE2-O 3.32Å; I167-Q302 HydrophobicContact CD1-CB 4.34Å; A183-Q302 WeakPolarHBondContact CA-O 3.37Å; A183-Q302 WeakPolarHBondContact CB-O 3.46Å; I187-Q302 HydrophobicContact CG1-CG 3.9Å; V209-Q302 VanDerWaalsContact CG1-OE1 3.24Å; M210-Q302 HydrophobicContact SD-CB 4.36Å; L298-Q302 HydrophobicContact CB-CG 4.01Å; L298-Q302 VanDerWaalsContact CB-NE2 3.3Å; L298-Q302 HydrophobicContact CD2-CG 4.17Å; G299-Q302 WeakPolarHBondContact O-CG 3.34Å; G299-Q302 PolarHBondContact O-N 3.24Å; G299-Q302 PolarHBondContact O-NE2 3.17Å; H300-Q302 PolarHBondContact O-N 2.98Å
303R93.1Very high95.5Very high38 Ų3837.7 Ų37.714%0.14322%0.215CC..THydrogen-bonded Turntrans-92.9-24.9176.4-68-179178.9-95.1-5.7113D28 Q30 I167 M210 H300D28-R303 PolarHBondContact O-NH1 3.23Å; Q30-R303 WeakPolarHBondContact CG-O 3.5Å; Q30-R303 PolarHBondContact NE2-O 3.25Å; Q30-R303 PolarHBondContact OE1-O 3.29Å; I167-R303 HydrophobicContact CD1-CG 3.67Å; I167-R303 HydrophobicContact CG1-CG 4.46Å; I167-R303 HydrophobicContact CG2-CG 4.48Å; M210-R303 HydrophobicContact SD-CG 4.38Å; H300-R303 PolarHBondContact O-N 3.27Å
304G89.3Confident95.5Very high30 Ų3037.9 Ų37.931%0.30922%0.216SC..  trans-83.9174.4-177.600000114.5Q30 H300Q30-G304 PolarHBondContact NE2-O 3.45Å; H300-G304 PolarHBondContact O-N 3.45Å
305G92.6Very high95.5Very high43 Ų4333.2 Ų33.244%0.44320%0.199SC..SBendtrans91.5176176.400000114.8Q30 G82Q30-G305 WeakPolarHBondContact CG-O 3.19Å; G82-G305 WeakPolarHBondContact CA-O 3.15Å
306T94.6Very high95.5Very high79 Ų7931.4 Ų31.449%0.48519%0.188SC..PPolyproline II helixtrans-74.5141.4179.956.80000110.6Q80Q80-T306 VanDerWaalsContact O-CG2 3.31Å; Q80-T306 WeakPolarHBondContact O-CG2 3.43Å
307P97.2Very high95.4Very high3 Ų330.9 Ų30.92%0.01918%0.18CC..PPolyproline II helixtrans-66146.8177.224.5-30.8000112Q30 L79 S182 D311 R312Q30-P307 HydrophobicContact CB-CB 3.87Å; L79-P307 WeakPolarHBondContact O-CG 3.43Å; S182-P307 WeakPolarHBondContact OG-CA 3.38Å; P307-D311 HydrophobicContact CB-CB 4.36Å; P307-R312 HydrophobicContact CB-CG 3.97Å; P307-R312 HydrophobicContact CG-CG 3.77Å; P307-R312 PolarHBondContact O-NE 2.8Å; P307-R312 PolarHBondContact O-NH2 3.13Å
308S97.8Very high95.3Very high6 Ų626.1 Ų26.14%0.04216%0.156CC..PPolyproline II helixtrans-62.8162.5170.675.60000111.1D181 S182 F310 D311 R312D181-S308 WeakPolarHBondContact OD2-CB 3.16Å; D181-S308 PolarHBondContact OD2-OG 3.41Å; S182-S308 PolarHBondContact OG-N 2.86Å; S308-F310 PolarHBondContact O-N 3.42Å; S308-F310 PolarHBondContact OG-N 2.73Å; S308-D311 PolarHBondContact O-N 2.92Å; S308-D311 PolarHBondContact OG-N 2.78Å; S308-R312 VanDerWaalsContact O-CG 3.3Å; S308-R312 WeakPolarHBondContact O-CG 3.47Å; S308-R312 PolarHBondContact O-N 3.29Å; S308-R312 VanDerWaalsContact O-N 3.17Å
309A97.7Very high95.3Very high1 Ų125.5 Ų25.51%0.00815%0.153CC..Hα-helixtrans-61.6-36176.700000111.9R312 V313 L547 N548 T551 A588A309-R312 PolarHBondContact O-N 2.89Å; A309-V313 WeakPolarHBondContact O-CG2 3.31Å; A309-V313 PolarHBondContact O-N 2.92Å; A309-V313 VanDerWaalsContact O-N 3.08Å; A309-L547 HydrophobicContact CB-CD1 4.37Å; A309-L547 HydrophobicContact CB-CD2 4.02Å; A309-L547 HydrophobicContact CB-CG 3.62Å; A309-N548 PolarHBondContact N-OD1 2.83Å; A309-T551 HydrophobicContact CB-CG2 4.29Å; A309-T551 WeakPolarHBondContact CB-OG1 3.46Å; A309-A588 HydrophobicContact CB-CB 4.18Å
310F96.8Very high95.2Very high44 Ų4424.9 Ų24.919%0.19315%0.145CC..Hα-helixtrans-60.4-52.2176-178.7-89.1000111.6M176 D181 S308 R312 V313 L314 L340M176-F310 HydrophobicContact CB-CE1 4.14Å; M176-F310 HydrophobicContact CB-CZ 4.33Å; M176-F310 HydrophobicContact CG-CE1 3.79Å; M176-F310 HydrophobicContact CG-CZ 4.39Å; D181-F310 HydrophobicContact CB-CB 4.4Å; D181-F310 HydrophobicContact CB-CD1 3.8Å; D181-F310 HydrophobicContact CB-CG 4.4Å; S308-F310 PolarHBondContact O-N 3.42Å; S308-F310 PolarHBondContact OG-N 2.73Å; F310-R312 VanDerWaalsContact C-N 3.29Å; F310-R312 PolarHBondContact O-N 2.83Å; F310-V313 PolarHBondContact O-N 2.88Å; F310-L314 HydrophobicContact CE1-CB 4.28Å; F310-L314 HydrophobicContact CE1-CD2 3.82Å; F310-L314 VanDerWaalsContact O-CB 3.3Å; F310-L314 WeakPolarHBondContact O-CB 3.49Å; F310-L314 PolarHBondContact O-N 3.09Å; F310-L340 HydrophobicContact CZ-CD2 3.87Å
311D97.6Very high95.3Very high0 Ų019.7 Ų19.70%012%0.121CC..Hα-helixtrans-65.5-31.4-178.2-81.7-42.3000112.9G179 D181 S182 P307 S308 G315G179-D311 VanDerWaalsContact CA-OD2 3.24Å; G179-D311 WeakPolarHBondContact CA-OD2 3.25Å; G179-D311 PolarHBondContact N-OD1 2.88Å; G179-D311 PolarHBondContact N-OD2 2.9Å; D181-D311 PolarHBondContact N-OD2 3.39Å; S182-D311 VanDerWaalsContact CB-OD2 3.24Å; S182-D311 WeakPolarHBondContact CB-OD2 3.47Å; S182-D311 PolarHBondContact N-OD2 2.87Å; S182-D311 PolarHBondContact OG-OD2 2.99Å; P307-D311 HydrophobicContact CB-CB 4.36Å; S308-D311 PolarHBondContact O-N 2.92Å; S308-D311 PolarHBondContact OG-N 2.78Å; D311-G315 PolarHBondContact O-N 2.92Å
312R97.6Very high95.3Very high2 Ų215.9 Ų15.91%0.00810%0.098CC..Hα-helixtrans-65.9-45.1173.3-67.3178-157.8-156.5-0.2112.2A34 L79 P307 S308 A309 F310 S316 D555 A588A34-R312 WeakPolarHBondContact CB-O 3.28Å; L79-R312 WeakPolarHBondContact O-CD 3.45Å; L79-R312 WeakPolarHBondContact O-CG 3.36Å; L79-R312 PolarHBondContact O-NE 3.42Å; P307-R312 HydrophobicContact CB-CG 3.97Å; P307-R312 HydrophobicContact CG-CG 3.77Å; P307-R312 PolarHBondContact O-NE 2.8Å; P307-R312 PolarHBondContact O-NH2 3.13Å; S308-R312 VanDerWaalsContact O-CG 3.3Å; S308-R312 WeakPolarHBondContact O-CG 3.47Å; S308-R312 PolarHBondContact O-N 3.29Å; S308-R312 VanDerWaalsContact O-N 3.17Å; A309-R312 PolarHBondContact O-N 2.89Å; F310-R312 VanDerWaalsContact C-N 3.29Å; F310-R312 PolarHBondContact O-N 2.83Å; R312-S316 VanDerWaalsContact O-CB 3.29Å; R312-S316 WeakPolarHBondContact O-CB 3.44Å; R312-S316 PolarHBondContact O-N 3.28Å; R312-S316 PolarHBondContact O-OG 3.38Å; R312-D555 IonicContact CZ-OD2 3.83Å; R312-D555 VanDerWaalsContact NH1-CG 3.28Å; R312-D555 IonicContact NH1-OD1 3.59Å; R312-D555 PolarHBondContact NH1-OD1 2.85Å; R312-D555 IonicContact NH1-OD2 3.56Å; R312-D555 PolarHBondContact NH1-OD2 3.23Å; R312-D555 IonicContact NH2-OD2 3.4Å; R312-D555 PolarHBondContact NH2-OD2 3.15Å; R312-A588 HydrophobicContact CB-CB 4.29Å; R312-A588 WeakPolarHBondContact CD-O 3.37Å
313V95.9Very high95.3Very high8 Ų815.9 Ų15.95%0.04810%0.098CC..Hα-helixtrans-67.1-45.6177.4168.70000110A309 F310 S316 R317 M584 L587 A588A309-V313 WeakPolarHBondContact O-CG2 3.31Å; A309-V313 PolarHBondContact O-N 2.92Å; A309-V313 VanDerWaalsContact O-N 3.08Å; F310-V313 PolarHBondContact O-N 2.88Å; V313-S316 PolarHBondContact O-N 3.31Å; V313-R317 HydrophobicContact CG1-CG 4.25Å; V313-R317 WeakPolarHBondContact O-CB 3.42Å; V313-R317 VanDerWaalsContact O-CG 3.24Å; V313-R317 WeakPolarHBondContact O-CG 3.45Å; V313-R317 PolarHBondContact O-N 3.11Å; V313-M584 HydrophobicContact CG1-CE 3.73Å; V313-M584 HydrophobicContact CG2-CE 4.26Å; V313-L587 HydrophobicContact CB-CD2 4.47Å; V313-L587 HydrophobicContact CG1-CD2 3.96Å; V313-L587 HydrophobicContact CG2-CD2 4.18Å; V313-L587 HydrophobicContact CG2-CG 4.31Å; V313-A588 HydrophobicContact CG2-CB 3.95Å
314L95.7Very high95.2Very high6 Ų614.4 Ų14.43%0.0319%0.093CC..Hα-helixtrans-57.9-54.7179-179.362.8000111.1M176 I178 F310 S316 R317 M318 L340M176-L314 HydrophobicContact CB-CD2 4.49Å; I178-L314 HydrophobicContact CG1-CD2 4.09Å; I178-L314 HydrophobicContact CG1-CG 4.19Å; F310-L314 HydrophobicContact CE1-CB 4.28Å; F310-L314 HydrophobicContact CE1-CD2 3.82Å; F310-L314 VanDerWaalsContact O-CB 3.3Å; F310-L314 WeakPolarHBondContact O-CB 3.49Å; F310-L314 PolarHBondContact O-N 3.09Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.36Å; L314-R317 PolarHBondContact O-N 3.22Å; L314-M318 HydrophobicContact CD1-CE 3.58Å; L314-M318 HydrophobicContact CD1-CG 4.19Å; L314-M318 HydrophobicContact CD1-SD 3.92Å; L314-M318 HydrophobicContact CD2-CE 4.34Å; L314-M318 HydrophobicContact CD2-SD 4.45Å; L314-M318 HydrophobicContact CG-CE 4.04Å; L314-M318 HydrophobicContact CG-CG 4.49Å; L314-M318 HydrophobicContact CG-SD 3.87Å; L314-M318 WeakPolarHBondContact O-CB 3.43Å; L314-M318 WeakPolarHBondContact O-CG 3.15Å; L314-M318 PolarHBondContact O-N 3.25Å; L314-L340 HydrophobicContact CD1-CB 4.07Å; L314-L340 HydrophobicContact CD1-CD1 4.04Å; L314-L340 HydrophobicContact CD1-CD2 4.05Å; L314-L340 HydrophobicContact CD1-CG 4.28Å
315G95.6Very high95.4Very high0 Ų013.3 Ų13.30%08%0.081CC..Hα-helixtrans-58.9-41.9177.800000111.9A35 D311 R317 M318 G319A35-G315 VanDerWaalsContact CA-O 3.28Å; A35-G315 WeakPolarHBondContact CA-O 3.44Å; D311-G315 PolarHBondContact O-N 2.92Å; G315-R317 PolarHBondContact O-N 3.03Å; G315-M318 PolarHBondContact O-N 3.41Å; G315-G319 PolarHBondContact O-N 2.86Å
316S95.6Very high95.5Very high0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-63.1-42.5178.1-610000112.7A38 R312 V313 L314 V320A38-S316 VanDerWaalsContact CB-O 3.22Å; A38-S316 WeakPolarHBondContact CB-O 3.25Å; R312-S316 VanDerWaalsContact O-CB 3.29Å; R312-S316 WeakPolarHBondContact O-CB 3.44Å; R312-S316 PolarHBondContact O-N 3.28Å; R312-S316 PolarHBondContact O-OG 3.38Å; V313-S316 PolarHBondContact O-N 3.31Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.36Å; S316-V320 WeakPolarHBondContact O-CG2 3.44Å; S316-V320 PolarHBondContact O-N 2.83Å
317R93.9Very high95.4Very high33 Ų337.9 Ų7.913%0.1254%0.039CC..Hα-helixtrans-67.3-45.2177.6-69.9171.468.2-174.24.7111.4V313 L314 G315 G319 V320 E321 N343V313-R317 HydrophobicContact CG1-CG 4.25Å; V313-R317 WeakPolarHBondContact O-CB 3.42Å; V313-R317 VanDerWaalsContact O-CG 3.24Å; V313-R317 WeakPolarHBondContact O-CG 3.45Å; V313-R317 PolarHBondContact O-N 3.11Å; L314-R317 PolarHBondContact O-N 3.22Å; G315-R317 PolarHBondContact O-N 3.03Å; R317-G319 VanDerWaalsContact C-N 3.33Å; R317-G319 PolarHBondContact O-N 3.1Å; R317-V320 PolarHBondContact O-N 3.24Å; R317-E321 PolarHBondContact O-N 3.38Å; R317-E321 VanDerWaalsContact O-N 3.15Å; R317-N343 PolarHBondContact NH1-O 2.85Å; R317-N343 PolarHBondContact NH1-OD1 3.28Å; R317-N343 VanDerWaalsContact NH1-OD1 3.09Å; R317-N343 PolarHBondContact NH2-O 2.92Å
318M94.7Very high95.1Very high3 Ų310.5 Ų10.52%0.0155%0.051CC..Hα-helixtrans-63.9-38.9178.7-7117816000111.9M163 I178 L314 G315 E321 A322 V338 L340M163-M318 HydrophobicContact CG-CB 4.1Å; M163-M318 HydrophobicContact SD-CB 3.61Å; I178-M318 HydrophobicContact CD1-SD 3.7Å; I178-M318 HydrophobicContact CG1-SD 3.72Å; L314-M318 HydrophobicContact CD1-CE 3.58Å; L314-M318 HydrophobicContact CD1-CG 4.19Å; L314-M318 HydrophobicContact CD1-SD 3.92Å; L314-M318 HydrophobicContact CD2-CE 4.34Å; L314-M318 HydrophobicContact CD2-SD 4.45Å; L314-M318 HydrophobicContact CG-CE 4.04Å; L314-M318 HydrophobicContact CG-CG 4.49Å; L314-M318 HydrophobicContact CG-SD 3.87Å; L314-M318 WeakPolarHBondContact O-CB 3.43Å; L314-M318 WeakPolarHBondContact O-CG 3.15Å; L314-M318 PolarHBondContact O-N 3.25Å; G315-M318 PolarHBondContact O-N 3.41Å; M318-E321 PolarHBondContact O-N 3.46Å; M318-A322 VanDerWaalsContact O-CB 3.22Å; M318-A322 WeakPolarHBondContact O-CB 3.42Å; M318-A322 PolarHBondContact O-N 3.28Å; M318-V338 HydrophobicContact CB-CG1 3.98Å; M318-V338 HydrophobicContact CG-CG1 3.93Å; M318-L340 HydrophobicContact CE-CB 4.04Å
319G95.4Very high94.7Very high0 Ų011.1 Ų11.10%06%0.056CC..Hα-helixtrans-66.4-36177.700000113.4G315 R317 V323G315-G319 PolarHBondContact O-N 2.86Å; R317-G319 VanDerWaalsContact C-N 3.33Å; R317-G319 PolarHBondContact O-N 3.1Å; G319-V323 PolarHBondContact O-N 2.91Å
320V93.9Very high94.2Very high8 Ų814.2 Ų14.25%0.0488%0.075CC..Hα-helixtrans-62.7-51.7173.3175.20000110A38 V42 S316 R317 A322 V323 M324 I749A38-V320 HydrophobicContact CB-CG2 4.4Å; V42-V320 HydrophobicContact CG1-CG1 4.47Å; V42-V320 HydrophobicContact CG2-CB 4.14Å; V42-V320 HydrophobicContact CG2-CG1 4.21Å; V42-V320 HydrophobicContact CG2-CG2 3.61Å; S316-V320 WeakPolarHBondContact O-CG2 3.44Å; S316-V320 PolarHBondContact O-N 2.83Å; R317-V320 PolarHBondContact O-N 3.24Å; V320-A322 VanDerWaalsContact C-N 3.27Å; V320-A322 PolarHBondContact O-N 3.04Å; V320-V323 PolarHBondContact O-N 2.79Å; V320-M324 PolarHBondContact O-N 3.18Å; V320-I749 HydrophobicContact CG1-CD1 4.49Å; V320-I749 HydrophobicContact CG1-CG1 4.48Å; V320-I749 HydrophobicContact CG2-CG2 3.57Å
321E94.2Very high93.6Very high29 Ų2915.7 Ų15.714%0.1369%0.089CC..Hα-helixtrans-64-34.6-178.8-169.556.9-138.700112R317 M318 V323 M324 A325 V338 A345 R347R317-E321 PolarHBondContact O-N 3.38Å; R317-E321 VanDerWaalsContact O-N 3.15Å; M318-E321 PolarHBondContact O-N 3.46Å; E321-V323 VanDerWaalsContact C-N 3.34Å; E321-V323 PolarHBondContact O-N 2.88Å; E321-M324 PolarHBondContact O-N 3.08Å; E321-A325 WeakPolarHBondContact O-CB 3.16Å; E321-A325 PolarHBondContact O-N 2.92Å; E321-V338 HydrophobicContact CB-CG1 3.86Å; E321-V338 HydrophobicContact CB-CG2 4.37Å; E321-V338 HydrophobicContact CG-CG1 3.92Å; E321-V338 HydrophobicContact CG-CG2 4.26Å; E321-A345 HydrophobicContact CB-CB 4.48Å; E321-A345 HydrophobicContact CG-CB 4.4Å; E321-R347 HydrophobicContact CG-CG 4.44Å; E321-R347 IonicContact OE1-CZ 2.97Å; E321-R347 IonicContact OE1-NE 3.23Å; E321-R347 PolarHBondContact OE1-NE 2.84Å; E321-R347 IonicContact OE1-NH2 3.35Å; E321-R347 PolarHBondContact OE1-NH2 3.39Å
322A95.6Very high93Very high0 Ų022.8 Ų22.80%013%0.127CC..Hα-helixtrans-63-39.4177.200000112.2V161 M163 M318 V320 L326 V338V161-A322 HydrophobicContact CG1-CB 3.79Å; V161-A322 HydrophobicContact CG2-CB 4.01Å; M163-A322 HydrophobicContact CE-CB 3.89Å; M163-A322 HydrophobicContact CG-CB 4.38Å; M163-A322 HydrophobicContact SD-CB 4.2Å; M318-A322 VanDerWaalsContact O-CB 3.22Å; M318-A322 WeakPolarHBondContact O-CB 3.42Å; M318-A322 PolarHBondContact O-N 3.28Å; V320-A322 VanDerWaalsContact C-N 3.27Å; V320-A322 PolarHBondContact O-N 3.04Å; A322-L326 WeakPolarHBondContact O-CG 3.49Å; A322-L326 PolarHBondContact O-N 3.23Å; A322-L326 VanDerWaalsContact O-N 3.07Å; A322-V338 HydrophobicContact CB-CG2 4.04Å
323V95.7Very high92.5Very high0 Ų024.5 Ų24.50%014%0.138CC..Hα-helixtrans-66.7-45.4174.9174.10000110.6I20 T39 V42 T46 G319 V320 E321 A325 L326 L327I20-V323 HydrophobicContact CD1-CG1 4.05Å; T39-V323 HydrophobicContact CG2-CG2 3.86Å; T39-V323 WeakPolarHBondContact O-CG2 3.39Å; V42-V323 HydrophobicContact CB-CB 4.26Å; V42-V323 HydrophobicContact CB-CG1 4.41Å; V42-V323 HydrophobicContact CB-CG2 4.17Å; V42-V323 HydrophobicContact CG1-CB 3.87Å; V42-V323 HydrophobicContact CG1-CG1 3.83Å; V42-V323 HydrophobicContact CG1-CG2 4.33Å; T46-V323 HydrophobicContact CG2-CG1 4.44Å; G319-V323 PolarHBondContact O-N 2.91Å; V320-V323 PolarHBondContact O-N 2.79Å; E321-V323 VanDerWaalsContact C-N 3.34Å; E321-V323 PolarHBondContact O-N 2.88Å; V323-A325 VanDerWaalsContact C-N 3.32Å; V323-A325 PolarHBondContact O-N 3.29Å; V323-L326 PolarHBondContact O-N 2.75Å; V323-L327 HydrophobicContact CG1-CD1 3.72Å; V323-L327 HydrophobicContact CG1-CG 4.19Å; V323-L327 VanDerWaalsContact O-CG 3.29Å; V323-L327 WeakPolarHBondContact O-CG 3.3Å; V323-L327 PolarHBondContact O-N 2.86Å
324M92.6Very high92.2Very high7 Ų727 Ų273%0.03415%0.154CC..Hα-helixtrans-59.4-45.5177.7-62.4-59.8148.800111.1M14 V42 T46 V320 E321 L326 L327 E328 L760M14-M324 HydrophobicContact SD-SD 4.49Å; V42-M324 HydrophobicContact CG1-CE 3.49Å; V42-M324 VanDerWaalsContact CG1-CE 3.49Å; T46-M324 HydrophobicContact CG2-CE 3.92Å; V320-M324 PolarHBondContact O-N 3.18Å; E321-M324 PolarHBondContact O-N 3.08Å; M324-L326 VanDerWaalsContact C-N 3.34Å; M324-L326 PolarHBondContact O-N 3.29Å; M324-L327 PolarHBondContact O-N 3.13Å; M324-E328 WeakPolarHBondContact O-CB 3.22Å; M324-E328 WeakPolarHBondContact O-CG 3.27Å; M324-E328 PolarHBondContact O-N 2.81Å; M324-L760 HydrophobicContact CE-CD2 3.28Å; M324-L760 HydrophobicContact CG-CD2 4.36Å; M324-L760 HydrophobicContact SD-CD2 3.8Å
325A92.8Very high92Very high8 Ų827 Ų277%0.06615%0.154CC..Hα-helixtrans-58.4-41.7175.900000113V161 E321 V323 A329V161-A325 HydrophobicContact CG2-CB 4.22Å; E321-A325 WeakPolarHBondContact O-CB 3.16Å; E321-A325 PolarHBondContact O-N 2.92Å; V323-A325 VanDerWaalsContact C-N 3.32Å; V323-A325 PolarHBondContact O-N 3.29Å; A325-A329 WeakPolarHBondContact O-CB 3.46Å; A325-A329 PolarHBondContact O-N 3.39Å
326L94.4Very high91.9Very high2 Ų227.3 Ų27.31%0.0116%0.157CC..Hα-helixtrans-68.6-36.4177-73.9172.1000112.9I20 N114 C116 N159 V161 A322 V323 M324I20-L326 HydrophobicContact CG2-CD1 3.88Å; N114-L326 HydrophobicContact CB-CB 4.25Å; N114-L326 HydrophobicContact CB-CD1 4.15Å; N114-L326 HydrophobicContact CB-CD2 4.07Å; N114-L326 HydrophobicContact CB-CG 4.38Å; N114-L326 PolarHBondContact OD1-O 2.69Å; C116-L326 HydrophobicContact CB-CD1 4.12Å; N159-L326 HydrophobicContact CB-CD2 3.94Å; V161-L326 HydrophobicContact CB-CD2 3.95Å; V161-L326 HydrophobicContact CB-CG 3.96Å; V161-L326 HydrophobicContact CG1-CD1 3.56Å; V161-L326 HydrophobicContact CG1-CD2 3.82Å; V161-L326 HydrophobicContact CG1-CG 3.5Å; V161-L326 VanDerWaalsContact CG1-CG 3.5Å; A322-L326 WeakPolarHBondContact O-CG 3.49Å; A322-L326 PolarHBondContact O-N 3.23Å; A322-L326 VanDerWaalsContact O-N 3.07Å; V323-L326 PolarHBondContact O-N 2.75Å; M324-L326 VanDerWaalsContact C-N 3.34Å; M324-L326 PolarHBondContact O-N 3.29Å
327L92Very high91.8Very high6 Ų627.3 Ų27.33%0.03116%0.157CC..Hα-helixtrans-77.9-28.4-179-64.9178.6000112.5M14 R18 I20 T46 V323 M324M14-L327 HydrophobicContact CB-CD1 3.99Å; M14-L327 HydrophobicContact CE-CB 4.23Å; R18-L327 HydrophobicContact CB-CD2 4.5Å; R18-L327 PolarHBondContact NH1-O 3.48Å; R18-L327 PolarHBondContact NH2-O 3.48Å; I20-L327 HydrophobicContact CD1-CD2 4.39Å; T46-L327 HydrophobicContact CG2-CD1 3.67Å; T46-L327 WeakPolarHBondContact OG1-CD1 3.47Å; V323-L327 HydrophobicContact CG1-CD1 3.72Å; V323-L327 HydrophobicContact CG1-CG 4.19Å; V323-L327 VanDerWaalsContact O-CG 3.29Å; V323-L327 WeakPolarHBondContact O-CG 3.3Å; V323-L327 PolarHBondContact O-N 2.86Å; M324-L327 PolarHBondContact O-N 3.13Å
328E90.9Very high91.8Very high58 Ų5825.7 Ų25.727%0.27115%0.151SC..Hα-helixtrans-85.3-16174.7-68.7167.8-168.600112.8M14 M324 T330 R347M14-E328 HydrophobicContact CE-CG 3.98Å; M324-E328 WeakPolarHBondContact O-CB 3.22Å; M324-E328 WeakPolarHBondContact O-CG 3.27Å; M324-E328 PolarHBondContact O-N 2.81Å; E328-T330 PolarHBondContact O-N 2.93Å; E328-R347 IonicContact OE1-NH2 2.92Å; E328-R347 IonicContact OE2-CZ 3.6Å; E328-R347 VanDerWaalsContact OE2-CZ 3.23Å; E328-R347 IonicContact OE2-NH1 3.75Å; E328-R347 PolarHBondContact OE2-NH1 2.69Å; E328-R347 IonicContact OE2-NH2 2.81Å; E328-R347 PolarHBondContact OE2-NH2 2.82Å
329A90.1Very high91.7Very high18 Ų1825.6 Ų25.615%0.14915%0.15CC..  trans-61134.6-178.400000112.8N159 A325 T333N159-A329 HydrophobicContact CB-CB 4.12Å; A325-A329 WeakPolarHBondContact O-CB 3.46Å; A325-A329 PolarHBondContact O-N 3.39Å; A329-T333 HydrophobicContact CB-CG2 4.37Å
330T87.6Confident91.3Very high67 Ų6726 Ų2641%0.41115%0.153SC..  trans-106.8166.4169670000110.2E328 D332 T333E328-T330 PolarHBondContact O-N 2.93Å; T330-D332 PolarHBondContact O-N 3.12Å; T330-D332 VanDerWaalsContact O-N 3.12Å; T330-T333 PolarHBondContact N-OG1 2.88Å; T330-T333 VanDerWaalsContact O-CB 3.26Å; T330-T333 WeakPolarHBondContact O-CB 3.26Å; T330-T333 PolarHBondContact O-N 2.95Å; T330-T333 PolarHBondContact O-OG1 3.38Å; T330-T333 PolarHBondContact OG1-N 3.34Å; T330-T333 PolarHBondContact OG1-OG1 2.73Å
331P83.9Confident90.8Very high75 Ų7526.2 Ų26.249%0.48715%0.154SC..THydrogen-bonded Turntrans-53-33.4176.2-28.736.9000114.2R131R131-P331 PolarHBondContact NH2-O 3.45Å
332D85.4Confident90.3Very high149 Ų14925.4 Ų25.480%0.79715%0.153SC*.THydrogen-bonded Turntrans-82.1-13.2179.8-55-50.9000113.3T330 P334T330-D332 PolarHBondContact O-N 3.12Å; T330-D332 VanDerWaalsContact O-N 3.12Å; D332-P334 WeakPolarHBondContact O-CD 3.5Å
333T87.3Confident89.3Confident38 Ų3826 Ų2623%0.23316%0.157CC..SBendtrans-69.5119.7179.3-57.80000109.4R131 A329 T330 M768R131-T333 PolarHBondContact NH2-O 3.2Å; A329-T333 HydrophobicContact CB-CG2 4.37Å; T330-T333 PolarHBondContact N-OG1 2.88Å; T330-T333 VanDerWaalsContact O-CB 3.26Å; T330-T333 WeakPolarHBondContact O-CB 3.26Å; T330-T333 PolarHBondContact O-N 2.95Å; T330-T333 PolarHBondContact O-OG1 3.38Å; T330-T333 PolarHBondContact OG1-N 3.34Å; T330-T333 PolarHBondContact OG1-OG1 2.73Å; T333-M768 HydrophobicContact CG2-CE 3.86Å
334P88.6Confident88.7Confident61 Ų6130.4 Ų30.440%0.39618%0.177SC..PPolyproline II helixtrans-67.6156.9179.129.4-34.8000111D332 C336 M768D332-P334 WeakPolarHBondContact O-CD 3.5Å; P334-C336 PolarHBondContact O-N 2.74Å; P334-M768 HydrophobicContact CG-CE 3.88Å; P334-M768 HydrophobicContact CG-SD 3.56Å; P334-M768 VanDerWaalsContact CG-SD 3.56Å
335A91.3Very high88.3Confident4 Ų431.1 Ų31.13%0.03318%0.184CC..PPolyproline II helixtrans-58.2130172.300000109.5I160 L350I160-A335 HydrophobicContact CB-CB 4.21Å; I160-A335 HydrophobicContact CG2-CB 4.45Å; A335-L350 HydrophobicContact CB-CB 4.31Å; A335-L350 HydrophobicContact CB-CD1 4.34Å; A335-L350 VanDerWaalsContact O-CB 3.28Å; A335-L350 WeakPolarHBondContact O-CB 3.39Å; A335-L350 PolarHBondContact O-N 2.92Å
336C93.4Very high88.2Confident7 Ų731.1 Ų31.15%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-119.1161.3-177.970.40000111.7V161 G162 P334 L348 M768V161-C336 CarbonylContact C-O 3.53Å; V161-C336 WeakPolarHBondContact CA-O 3.04Å; G162-C336 PolarHBondContact N-O 2.79Å; P334-C336 PolarHBondContact O-N 2.74Å; C336-L348 CarbonylContact C-O 3.46Å; C336-L348 WeakPolarHBondContact CA-O 3.41Å; C336-L348 WeakPolarHBondContact CB-O 3.41Å; C336-M768 HydrophobicContact CB-CE 3.78Å; C336-M768 HydrophobicContact CB-SD 4.45Å
337V94.3Very high88.1Confident0 Ų032.1 Ų32.10%019%0.187CC..EExtended strand (participates in β ladder)trans-118.6127.7172.2177.40000108L124 G162 V164 F171 S339 L348 L350L124-V337 HydrophobicContact CD1-CG1 4.4Å; L124-V337 HydrophobicContact CD1-CG2 4.03Å; G162-V337 CarbonylContact O-C 3.53Å; G162-V337 WeakPolarHBondContact O-CA 3.13Å; V164-V337 HydrophobicContact CG2-CG1 3.65Å; F171-V337 HydrophobicContact CE1-CG1 4.02Å; F171-V337 HydrophobicContact CZ-CG1 4.28Å; F171-V337 HydrophobicContact CZ-CG2 4.11Å; V337-S339 PolarHBondContact O-N 2.75Å; V337-L348 PolarHBondContact N-O 3.48Å; V337-L348 PolarHBondContact O-N 3.23Å; V337-L350 HydrophobicContact CG2-CB 3.76Å; V337-L350 HydrophobicContact CG2-CD1 3.86Å; V337-L350 HydrophobicContact CG2-CG 3.61Å
338V94.4Very high88.1Confident0 Ų032.4 Ų32.40%019%0.188CC..EExtended strand (participates in β ladder)trans-76.3120.7170.2-175.60000108.2V161 G162 M163 M318 E321 A322 A345 V346V161-V338 HydrophobicContact CG2-CG2 3.73Å; G162-V338 PolarHBondContact O-N 2.71Å; M163-V338 HydrophobicContact CG-CB 4.31Å; M318-V338 HydrophobicContact CB-CG1 3.98Å; M318-V338 HydrophobicContact CG-CG1 3.93Å; E321-V338 HydrophobicContact CB-CG1 3.86Å; E321-V338 HydrophobicContact CB-CG2 4.37Å; E321-V338 HydrophobicContact CG-CG1 3.92Å; E321-V338 HydrophobicContact CG-CG2 4.26Å; A322-V338 HydrophobicContact CB-CG2 4.04Å; V338-A345 HydrophobicContact CG1-CB 4.47Å; V338-V346 WeakPolarHBondContact CA-O 3.29Å
339S90.8Very high88.1Confident0 Ų030.1 Ų30.10%018%0.179CC..EExtended strand (participates in β ladder)trans-126.4160.5-173.2-62.80000111V337 A345 V346V337-S339 PolarHBondContact O-N 2.75Å; S339-A345 WeakPolarHBondContact O-CA 3.49Å; S339-V346 PolarHBondContact N-O 3.26Å; S339-V346 PolarHBondContact O-N 3.37Å
340L88.8Confident88.1Confident10 Ų1029.3 Ų29.35%0.05217%0.172CC..EExtended strand (participates in β ladder)trans-92.8125.3171.1-174.667.9000109.8T174 D175 M176 F310 L314 M318 G342T174-L340 PolarHBondContact OG1-N 3.02Å; D175-L340 PolarHBondContact N-O 3.36Å; M176-L340 HydrophobicContact CB-CD2 4.01Å; F310-L340 HydrophobicContact CZ-CD2 3.87Å; L314-L340 HydrophobicContact CD1-CB 4.07Å; L314-L340 HydrophobicContact CD1-CD1 4.04Å; L314-L340 HydrophobicContact CD1-CD2 4.05Å; L314-L340 HydrophobicContact CD1-CG 4.28Å; M318-L340 HydrophobicContact CE-CB 4.04Å; L340-G342 WeakPolarHBondContact CD1-O 3.46Å; L340-G342 WeakPolarHBondContact CG-O 3.45Å
341S83.7Confident88.2Confident11 Ų1129.8 Ų29.88%0.07717%0.17CC..EExtended strand (participates in β ladder)trans-123.498.6173.8164.20000110.5D175 N343 Q344 R717D175-S341 WeakPolarHBondContact OD2-CA 3.1Å; S341-N343 PolarHBondContact O-N 3.04Å; S341-N343 VanDerWaalsContact O-N 3.16Å; S341-Q344 PolarHBondContact N-O 3.45Å; S341-Q344 PolarHBondContact O-N 2.91Å; S341-Q344 VanDerWaalsContact O-N 3.08Å; S341-R717 VanDerWaalsContact CB-CZ 3.4Å; S341-R717 PolarHBondContact OG-NE 3.26Å; S341-R717 PolarHBondContact OG-NH1 3.27Å; S341-R717 VanDerWaalsContact OG-NH1 3.09Å; S341-R717 PolarHBondContact OG-NH2 3.18Å; S341-R717 VanDerWaalsContact OG-NH2 3.1Å
342G81.7Confident88.5Confident12 Ų1228.2 Ų28.212%0.12416%0.157CC..THydrogen-bonded Turntrans64-111.8-168.100000108.9D175 L340 K716 R717D175-G342 PolarHBondContact OD2-N 3.43Å; L340-G342 WeakPolarHBondContact CD1-O 3.46Å; L340-G342 WeakPolarHBondContact CG-O 3.45Å; G342-K716 VanDerWaalsContact CA-O 3.27Å; G342-K716 WeakPolarHBondContact CA-O 3.49Å; G342-R717 VanDerWaalsContact N-CG 3.32Å
343N76.6Confident88.7Confident14 Ų1421.1 Ų21.18%0.07512%0.119CC..THydrogen-bonded Turntrans-113.519.7176.7-161.29.8000113R317 S341 F539 W742R317-N343 PolarHBondContact NH1-O 2.85Å; R317-N343 PolarHBondContact NH1-OD1 3.28Å; R317-N343 VanDerWaalsContact NH1-OD1 3.09Å; R317-N343 PolarHBondContact NH2-O 2.92Å; S341-N343 PolarHBondContact O-N 3.04Å; S341-N343 VanDerWaalsContact O-N 3.16Å; N343-F539 HydrophobicContact CB-CE2 4.42Å; N343-F539 WeakPolarHBondContact ND2-CZ 3.33Å; N343-W742 WeakPolarHBondContact ND2-CH2 3.4Å; N343-W742 WeakPolarHBondContact ND2-CZ2 3.32Å; N343-W742 WeakPolarHBondContact ND2-CZ3 3.18Å; N343-W742 WeakPolarHBondContact OD1-CZ3 3.48Å
344Q81.4Confident88.7Confident92 Ų9219.5 Ų19.543%0.4311%0.109SC..EExtended strand (participates in β ladder)trans-119.7142.2179.9-68.5179.6-35.800110.5S341S341-Q344 PolarHBondContact N-O 3.45Å; S341-Q344 PolarHBondContact O-N 2.91Å; S341-Q344 VanDerWaalsContact O-N 3.08Å
345A85.6Confident88.8Confident22 Ų2221.2 Ų21.218%0.18211%0.111CC..EExtended strand (participates in β ladder)trans-78.413416900000108.2E321 V338 S339E321-A345 HydrophobicContact CB-CB 4.48Å; E321-A345 HydrophobicContact CG-CB 4.4Å; V338-A345 HydrophobicContact CG1-CB 4.47Å; S339-A345 WeakPolarHBondContact O-CA 3.49Å
346V89.4Confident88.7Confident8 Ų821.2 Ų21.25%0.04811%0.111CC..EExtended strand (participates in β ladder)trans-132.8153.7179.9-64.90000110.4V338 S339 L348V338-V346 WeakPolarHBondContact CA-O 3.29Å; S339-V346 PolarHBondContact N-O 3.26Å; S339-V346 PolarHBondContact O-N 3.37Å; V346-L348 HydrophobicContact CG2-CD1 4.45Å; V346-L348 HydrophobicContact CG2-CD2 4.24Å; V346-L348 HydrophobicContact CG2-CG 4.16Å
347R92.8Very high88.5Confident23 Ų2321.4 Ų21.49%0.08711%0.112CC..EExtended strand (participates in β ladder)trans-101.1123.2174.9-57.9176.3-169.5175.63.3109E321 E328 V766 E769E321-R347 HydrophobicContact CG-CG 4.44Å; E321-R347 IonicContact OE1-CZ 2.97Å; E321-R347 IonicContact OE1-NE 3.23Å; E321-R347 PolarHBondContact OE1-NE 2.84Å; E321-R347 IonicContact OE1-NH2 3.35Å; E321-R347 PolarHBondContact OE1-NH2 3.39Å; E328-R347 IonicContact OE1-NH2 2.92Å; E328-R347 IonicContact OE2-CZ 3.6Å; E328-R347 VanDerWaalsContact OE2-CZ 3.23Å; E328-R347 IonicContact OE2-NH1 3.75Å; E328-R347 PolarHBondContact OE2-NH1 2.69Å; E328-R347 IonicContact OE2-NH2 2.81Å; E328-R347 PolarHBondContact OE2-NH2 2.82Å; R347-V766 WeakPolarHBondContact CD-O 3.22Å; R347-V766 HydrophobicContact CG-CG1 4.1Å; R347-E769 PolarHBondContact O-N 2.93Å
348L91.4Very high88.3Confident11 Ų1126.7 Ų26.76%0.05814%0.135CC..EExtended strand (participates in β ladder)trans-120.8144179.5-58.5178.9000110.8G173 C336 V337 V346 L350 E769 V771G173-L348 WeakPolarHBondContact O-CD1 3.5Å; C336-L348 CarbonylContact C-O 3.46Å; C336-L348 WeakPolarHBondContact CA-O 3.41Å; C336-L348 WeakPolarHBondContact CB-O 3.41Å; V337-L348 PolarHBondContact N-O 3.48Å; V337-L348 PolarHBondContact O-N 3.23Å; V346-L348 HydrophobicContact CG2-CD1 4.45Å; V346-L348 HydrophobicContact CG2-CD2 4.24Å; V346-L348 HydrophobicContact CG2-CG 4.16Å; L348-L350 PolarHBondContact O-N 3.34Å; L348-E769 HydrophobicContact CD2-CB 3.94Å; L348-E769 WeakPolarHBondContact CD2-O 3.36Å; L348-V771 HydrophobicContact CB-CG2 4.31Å; L348-V771 HydrophobicContact CD1-CG2 4.22Å; L348-V771 HydrophobicContact CD2-CG2 4.29Å
349P91.9Very high88.2Confident10 Ų1029.5 Ų29.57%0.06515%0.15CC..EExtended strand (participates in β ladder)trans-57.9123.9172.5-22.432.1000111.2M351 E352 C353 M768 E769P349-M351 VanDerWaalsContact C-N 3.33Å; P349-M351 PolarHBondContact O-N 2.88Å; P349-E352 HydrophobicContact CB-CB 4.24Å; P349-E352 HydrophobicContact CB-CG 3.97Å; P349-E352 HydrophobicContact CG-CG 4.42Å; P349-E352 PolarHBondContact O-N 3.18Å; P349-C353 PolarHBondContact O-N 3.47Å; P349-M768 HydrophobicContact CB-SD 4.39Å; P349-M768 HydrophobicContact CG-CG 4.06Å; P349-M768 HydrophobicContact CG-SD 3.78Å; P349-E769 WeakPolarHBondContact CD-O 2.78Å
350L90.6Very high88.2Confident1 Ų129.5 Ų29.51%0.00515%0.15CC..Hα-helixtrans-57.9-45.7-172.5-176.7156.3000111.9L124 N128 A335 V337 L348 E352 C353 V354L124-L350 HydrophobicContact CB-CD1 4.07Å; L124-L350 HydrophobicContact CB-CG 4.4Å; N128-L350 HydrophobicContact CB-CD1 4.47Å; N128-L350 HydrophobicContact CB-CD2 3.83Å; A335-L350 HydrophobicContact CB-CB 4.31Å; A335-L350 HydrophobicContact CB-CD1 4.34Å; A335-L350 VanDerWaalsContact O-CB 3.28Å; A335-L350 WeakPolarHBondContact O-CB 3.39Å; A335-L350 PolarHBondContact O-N 2.92Å; V337-L350 HydrophobicContact CG2-CB 3.76Å; V337-L350 HydrophobicContact CG2-CD1 3.86Å; V337-L350 HydrophobicContact CG2-CG 3.61Å; L348-L350 PolarHBondContact O-N 3.34Å; L350-E352 VanDerWaalsContact C-N 3.34Å; L350-E352 PolarHBondContact O-N 2.92Å; L350-C353 PolarHBondContact O-N 3.17Å; L350-V354 HydrophobicContact CD2-CG2 3.89Å; L350-V354 WeakPolarHBondContact O-CG2 3.49Å; L350-V354 PolarHBondContact O-N 3.04Å
351M88.6Confident88.3Confident78 Ų7832.5 Ų32.538%0.38417%0.169SC..Hα-helixtrans-71.1-27.6-175.5-69-54.1-59.300113.4N128 P349 Q355N128-M351 HydrophobicContact CB-SD 4.05Å; N128-M351 WeakPolarHBondContact ND2-CG 3.34Å; N128-M351 PolarHBondContact ND2-SD 3.34Å; P349-M351 VanDerWaalsContact C-N 3.33Å; P349-M351 PolarHBondContact O-N 2.88Å; M351-Q355 VanDerWaalsContact O-CB 3.32Å; M351-Q355 WeakPolarHBondContact O-CB 3.17Å; M351-Q355 PolarHBondContact O-N 3.36Å
352E90.5Very high88.8Confident42 Ų4234.5 Ų34.520%0.19619%0.186CC..Hα-helixtrans-65.9-46.9172.6-70.8-177.4-155.700110.6P349 L350 V354 Q355 V356 H770 V771P349-E352 HydrophobicContact CB-CB 4.24Å; P349-E352 HydrophobicContact CB-CG 3.97Å; P349-E352 HydrophobicContact CG-CG 4.42Å; P349-E352 PolarHBondContact O-N 3.18Å; L350-E352 VanDerWaalsContact C-N 3.34Å; L350-E352 PolarHBondContact O-N 2.92Å; E352-V354 PolarHBondContact O-N 3.39Å; E352-Q355 PolarHBondContact O-N 3.21Å; E352-V356 WeakPolarHBondContact O-CG2 3.49Å; E352-V356 PolarHBondContact O-N 3.26Å; E352-H770 IonicContact OE1-CE1 3.86Å; E352-H770 IonicContact OE1-CG 2.74Å; E352-H770 IonicContact OE1-ND1 3.11Å; E352-H770 PolarHBondContact OE1-ND1 2.68Å; E352-H770 IonicContact OE2-ND1 3.92Å; E352-V771 HydrophobicContact CB-CB 4.26Å; E352-V771 HydrophobicContact CB-CG2 4.08Å; E352-V771 WeakPolarHBondContact OE2-CB 3.33Å; E352-V771 PolarHBondContact OE2-N 3.48Å
353C89.4Confident89.4Confident0 Ų033.9 Ų33.90%018%0.18CC..Hα-helixtrans-61.7-42.9177.6-64.40000112.4F171 C172 P349 L350 T357F171-C353 HydrophobicContact CD1-CB 4.38Å; F171-C353 HydrophobicContact CE1-CB 3.38Å; F171-C353 HydrophobicContact CE2-CB 4.32Å; F171-C353 HydrophobicContact CZ-CB 3.34Å; C172-C353 WeakPolarHBondContact O-CA 3.32Å; C172-C353 WeakPolarHBondContact O-CB 3.17Å; P349-C353 PolarHBondContact O-N 3.47Å; L350-C353 PolarHBondContact O-N 3.17Å; C353-T357 PolarHBondContact O-N 3.27Å; C353-T357 PolarHBondContact O-OG1 3.02Å
354V88.3Confident90.2Very high4 Ų434.1 Ų34.12%0.02418%0.18CC..Hα-helixtrans-64.1-42.3176.4170.90000111.1F171 L350 E352 T357 K358F171-V354 HydrophobicContact CE2-CG2 4.1Å; L350-V354 HydrophobicContact CD2-CG2 3.89Å; L350-V354 WeakPolarHBondContact O-CG2 3.49Å; L350-V354 PolarHBondContact O-N 3.04Å; E352-V354 PolarHBondContact O-N 3.39Å; V354-T357 WeakPolarHBondContact O-CB 3.43Å; V354-T357 PolarHBondContact O-N 2.94Å; V354-K358 HydrophobicContact CG1-CD 4.48Å; V354-K358 WeakPolarHBondContact O-CG 3.22Å; V354-K358 PolarHBondContact O-N 3.04Å
355Q89.2Confident90.7Very high97 Ų9734 Ų3445%0.45320%0.195SC..Hα-helixtrans-62-48.7178.5-175.157.448.800111.2M351 E352 T357 K358 D359M351-Q355 VanDerWaalsContact O-CB 3.32Å; M351-Q355 WeakPolarHBondContact O-CB 3.17Å; M351-Q355 PolarHBondContact O-N 3.36Å; E352-Q355 PolarHBondContact O-N 3.21Å; Q355-T357 PolarHBondContact O-N 3.46Å; Q355-K358 WeakPolarHBondContact O-CB 3.35Å; Q355-K358 PolarHBondContact O-N 3.29Å; Q355-D359 PolarHBondContact NE2-OD1 2.85Å; Q355-D359 PolarHBondContact O-N 3.35Å
356V88.9Confident91Very high4 Ų436.2 Ų36.22%0.02421%0.21CC..Hα-helixtrans-59.7-36.9177.5177.30000111.4C172 E352 D359 V360 L375 V771C172-V356 HydrophobicContact CB-CB 3.97Å; C172-V356 HydrophobicContact CB-CG1 3.51Å; E352-V356 WeakPolarHBondContact O-CG2 3.49Å; E352-V356 PolarHBondContact O-N 3.26Å; V356-D359 WeakPolarHBondContact O-CB 3.42Å; V356-D359 PolarHBondContact O-N 3.22Å; V356-V360 PolarHBondContact O-N 3.19Å; V356-L375 HydrophobicContact CG1-CD2 4.32Å; V356-V771 HydrophobicContact CG2-CG1 4.32Å
357T89.7Confident91.2Very high11 Ų1137.7 Ų37.77%0.06723%0.227CC..Hα-helixtrans-63.8-41.4176.3-56.80000111.6D170 C172 C353 V354 Q355 D359 V360D170-T357 WeakPolarHBondContact O-CG2 3.48Å; C172-T357 WeakPolarHBondContact CB-OG1 3.23Å; C172-T357 PolarHBondContact N-OG1 2.81Å; C353-T357 PolarHBondContact O-N 3.27Å; C353-T357 PolarHBondContact O-OG1 3.02Å; V354-T357 WeakPolarHBondContact O-CB 3.43Å; V354-T357 PolarHBondContact O-N 2.94Å; Q355-T357 PolarHBondContact O-N 3.46Å; T357-D359 VanDerWaalsContact C-N 3.34Å; T357-V360 WeakPolarHBondContact O-CB 3.43Å; T357-V360 PolarHBondContact O-N 3.17Å
358K89.9Confident91.3Very high111 Ų11142 Ų4248%0.48324%0.243SC..Hα-helixtrans-66-36.8173.8-68.9177.1-179.4178.70112.2V354 Q355 V360 T361 A362V354-K358 HydrophobicContact CG1-CD 4.48Å; V354-K358 WeakPolarHBondContact O-CG 3.22Å; V354-K358 PolarHBondContact O-N 3.04Å; Q355-K358 WeakPolarHBondContact O-CB 3.35Å; Q355-K358 PolarHBondContact O-N 3.29Å; K358-V360 PolarHBondContact O-N 3.45Å; K358-T361 PolarHBondContact O-N 2.82Å; K358-T361 VanDerWaalsContact O-N 3.14Å; K358-A362 PolarHBondContact O-N 3.03Å
359D92.5Very high91.4Very high58 Ų5842 Ų4231%0.3124%0.243SC..Hα-helixtrans-62.5-32.4178.1-61-21.3000111.8Q355 V356 T357 A362 A363 L375Q355-D359 PolarHBondContact NE2-OD1 2.85Å; Q355-D359 PolarHBondContact O-N 3.35Å; V356-D359 WeakPolarHBondContact O-CB 3.42Å; V356-D359 PolarHBondContact O-N 3.22Å; T357-D359 VanDerWaalsContact C-N 3.34Å; D359-A362 PolarHBondContact O-N 3.47Å; D359-A363 VanDerWaalsContact O-CB 3.3Å; D359-A363 WeakPolarHBondContact O-CB 3.38Å; D359-A363 PolarHBondContact O-N 3.26Å; D359-L375 HydrophobicContact CB-CD1 4.15Å
360V91.8Very high91.5Very high0 Ų047.8 Ų47.80%027%0.269CS..Hα-helixtrans-61.5-49.7172.4177.10000110.6V356 T357 K358 A362 A363 M364 A372 L375V356-V360 PolarHBondContact O-N 3.19Å; T357-V360 WeakPolarHBondContact O-CB 3.43Å; T357-V360 PolarHBondContact O-N 3.17Å; K358-V360 PolarHBondContact O-N 3.45Å; V360-A362 VanDerWaalsContact C-N 3.32Å; V360-A362 PolarHBondContact O-N 2.82Å; V360-A363 PolarHBondContact O-N 2.83Å; V360-M364 HydrophobicContact CG1-CE 4.13Å; V360-M364 HydrophobicContact CG1-SD 4.45Å; V360-M364 WeakPolarHBondContact O-CG 3.34Å; V360-M364 PolarHBondContact O-N 2.72Å; V360-A372 HydrophobicContact CG1-CB 4.26Å; V360-L375 HydrophobicContact CG2-CB 3.5Å; V360-L375 VanDerWaalsContact CG2-CB 3.5Å; V360-L375 HydrophobicContact CG2-CD1 4.24Å; V360-L375 HydrophobicContact CG2-CG 4.49Å
361T90.9Very high91.6Very high74 Ų7450.5 Ų50.545%0.45428%0.283SS..Hα-helixtrans-61.2-43.1178.6-52.70000111.1K358 M364 A365K358-T361 PolarHBondContact O-N 2.82Å; K358-T361 VanDerWaalsContact O-N 3.14Å; T361-M364 PolarHBondContact O-N 3.42Å; T361-A365 WeakPolarHBondContact O-CB 3.41Å; T361-A365 PolarHBondContact O-N 2.94Å
362A93.6Very high91.9Very high52 Ų5246.8 Ų46.843%0.4327%0.265SS..Hα-helixtrans-63-41.3175.800000112.1K358 D359 V360 A365 S366K358-A362 PolarHBondContact O-N 3.03Å; D359-A362 PolarHBondContact O-N 3.47Å; V360-A362 VanDerWaalsContact C-N 3.32Å; V360-A362 PolarHBondContact O-N 2.82Å; A362-A365 PolarHBondContact O-N 3.4Å; A362-S366 WeakPolarHBondContact O-CB 3.46Å; A362-S366 PolarHBondContact O-N 2.99Å; A362-S366 PolarHBondContact O-OG 2.84Å
363A94.2Very high92.1Very high0 Ų045.2 Ų45.20%026%0.258CS..Hα-helixtrans-60.2-48.9175.900000111.3D359 V360 A365 S366 G367 R368 D371 A372 L375D359-A363 VanDerWaalsContact O-CB 3.3Å; D359-A363 WeakPolarHBondContact O-CB 3.38Å; D359-A363 PolarHBondContact O-N 3.26Å; V360-A363 PolarHBondContact O-N 2.83Å; A363-A365 PolarHBondContact O-N 3.44Å; A363-S366 PolarHBondContact O-N 3.38Å; A363-S366 PolarHBondContact O-OG 3.11Å; A363-G367 PolarHBondContact O-N 3.13Å; A363-R368 HydrophobicContact CB-CB 4.3Å; A363-R368 PolarHBondContact O-N 2.88Å; A363-D371 HydrophobicContact CB-CB 4.34Å; A363-A372 HydrophobicContact CB-CB 4.23Å; A363-L375 HydrophobicContact CB-CD1 4.18Å
364M92.6Very high92.1Very high18 Ų1850.9 Ų50.99%0.08928%0.283CS..Hα-helixtrans-61.2-44.2177.1-66.3-172.5-58.700112.3P233 E234 V360 T361 S366 G367 F369 A372P233-M364 HydrophobicContact CB-SD 4.11Å; E234-M364 HydrophobicContact CG-SD 4.17Å; V360-M364 HydrophobicContact CG1-CE 4.13Å; V360-M364 HydrophobicContact CG1-SD 4.45Å; V360-M364 WeakPolarHBondContact O-CG 3.34Å; V360-M364 PolarHBondContact O-N 2.72Å; T361-M364 PolarHBondContact O-N 3.42Å; M364-S366 VanDerWaalsContact C-N 3.26Å; M364-S366 PolarHBondContact O-N 3.13Å; M364-G367 PolarHBondContact O-N 3.05Å; M364-G367 VanDerWaalsContact O-N 3.13Å; M364-F369 HydrophobicContact CB-CE1 4.38Å; M364-F369 HydrophobicContact CG-CD1 4.49Å; M364-F369 WeakPolarHBondContact O-CE1 3.5Å; M364-A372 HydrophobicContact CG-CB 3.55Å; M364-A372 HydrophobicContact SD-CB 4.46Å
365A91.9Very high92.2Very high90 Ų9052.1 Ų52.174%0.74429%0.289SS*.Hα-helixtrans-64.3-30.6178.400000113.1T361 A362 A363 G367T361-A365 WeakPolarHBondContact O-CB 3.41Å; T361-A365 PolarHBondContact O-N 2.94Å; A362-A365 PolarHBondContact O-N 3.4Å; A363-A365 PolarHBondContact O-N 3.44Å; A365-G367 VanDerWaalsContact C-N 3.33Å
366S93.4Very high92.3Very high69 Ų6949.4 Ų49.448%0.48328%0.275SS..THydrogen-bonded Turntrans-87.36.7176.165.50000114.5A362 A363 M364 R368A362-S366 WeakPolarHBondContact O-CB 3.46Å; A362-S366 PolarHBondContact O-N 2.99Å; A362-S366 PolarHBondContact O-OG 2.84Å; A363-S366 PolarHBondContact O-N 3.38Å; A363-S366 PolarHBondContact O-OG 3.11Å; M364-S366 VanDerWaalsContact C-N 3.26Å; M364-S366 PolarHBondContact O-N 3.13Å; S366-R368 VanDerWaalsContact C-N 3.25Å; S366-R368 PolarHBondContact O-N 2.7Å; S366-R368 PolarHBondContact OG-NE 3.19Å
367G92.6Very high92.2Very high39 Ų3950.3 Ų50.340%0.40229%0.285SS..THydrogen-bonded Turntrans73.98.3-178.300000115.1A363 M364 A365 F369A363-G367 PolarHBondContact O-N 3.13Å; M364-G367 PolarHBondContact O-N 3.05Å; M364-G367 VanDerWaalsContact O-N 3.13Å; A365-G367 VanDerWaalsContact C-N 3.33Å; G367-F369 VanDerWaalsContact C-N 3.27Å; G367-F369 WeakPolarHBondContact O-CD2 3.42Å; G367-F369 PolarHBondContact O-N 3.39Å
368R94.8Very high91.9Very high113 Ų11356.3 Ų56.343%0.42631%0.31SS..  trans-85.861.7178.5-63.8-175.6-62.4116.9-2.8111.5A363 S366 E370 D371 A372A363-R368 HydrophobicContact CB-CB 4.3Å; A363-R368 PolarHBondContact O-N 2.88Å; S366-R368 VanDerWaalsContact C-N 3.25Å; S366-R368 PolarHBondContact O-N 2.7Å; S366-R368 PolarHBondContact OG-NE 3.19Å; R368-E370 PolarHBondContact O-N 3.02Å; R368-D371 HydrophobicContact CB-CB 4.18Å; R368-D371 IonicContact CZ-OD2 2.86Å; R368-D371 IonicContact NH1-OD2 3.65Å; R368-D371 PolarHBondContact NH1-OD2 2.97Å; R368-D371 WeakPolarHBondContact O-CB 3.41Å; R368-D371 PolarHBondContact O-N 3.34Å; R368-A372 PolarHBondContact O-N 3.45Å; R368-A372 VanDerWaalsContact O-N 3.12Å
369F94.6Very high91.7Very high12 Ų1252.8 Ų52.85%0.05330%0.299CS..Hα-helixtrans-64.7-36.4-173.3-59.5-60.6000113.9E234 M235 P236 R271 M364 G367 D371 A372 V373E234-F369 WeakPolarHBondContact O-CB 3.14Å; M235-F369 HydrophobicContact CE-CB 4.22Å; M235-F369 HydrophobicContact SD-CB 4.17Å; P236-F369 HydrophobicContact CG-CD1 3.77Å; P236-F369 HydrophobicContact CG-CD2 4.41Å; P236-F369 HydrophobicContact CG-CE1 3.47Å; P236-F369 VanDerWaalsContact CG-CE1 3.47Å; P236-F369 HydrophobicContact CG-CE2 4.14Å; P236-F369 HydrophobicContact CG-CG 4.24Å; P236-F369 HydrophobicContact CG-CZ 3.68Å; R271-F369 HydrophobicContact CB-CE2 4.26Å; R271-F369 HydrophobicContact CG-CE2 4.05Å; M364-F369 HydrophobicContact CB-CE1 4.38Å; M364-F369 HydrophobicContact CG-CD1 4.49Å; M364-F369 WeakPolarHBondContact O-CE1 3.5Å; G367-F369 VanDerWaalsContact C-N 3.27Å; G367-F369 WeakPolarHBondContact O-CD2 3.42Å; G367-F369 PolarHBondContact O-N 3.39Å; F369-D371 VanDerWaalsContact C-N 3.29Å; F369-D371 PolarHBondContact O-N 3.34Å; F369-A372 WeakPolarHBondContact O-CB 3.36Å; F369-A372 PolarHBondContact O-N 2.77Å; F369-V373 PolarHBondContact O-N 2.91Å
370E93.8Very high91.6Very high131 Ų13150.3 Ų50.361%0.61229%0.286SS*.Hα-helixtrans-62.5-37.9174.4-71.4-153.7179.800112.7M235 R368 A372 V373 K374M235-E370 HydrophobicContact CE-CG 4.34Å; R368-E370 PolarHBondContact O-N 3.02Å; E370-A372 VanDerWaalsContact C-N 3.34Å; E370-V373 PolarHBondContact O-N 3.22Å; E370-K374 VanDerWaalsContact O-CG 3.3Å; E370-K374 WeakPolarHBondContact O-CG 3.42Å; E370-K374 PolarHBondContact O-N 3.37Å; E370-K374 IonicContact OE2-NZ 2.58Å
371D93.3Very high91.6Very high57 Ų5751.2 Ų51.231%0.30529%0.293SS..Hα-helixtrans-66.9-39.6175.6-66.7-16.1000110.4A363 R368 F369 V373 K374 L375A363-D371 HydrophobicContact CB-CB 4.34Å; R368-D371 HydrophobicContact CB-CB 4.18Å; R368-D371 IonicContact CZ-OD2 2.86Å; R368-D371 IonicContact NH1-OD2 3.65Å; R368-D371 PolarHBondContact NH1-OD2 2.97Å; R368-D371 WeakPolarHBondContact O-CB 3.41Å; R368-D371 PolarHBondContact O-N 3.34Å; F369-D371 VanDerWaalsContact C-N 3.29Å; F369-D371 PolarHBondContact O-N 3.34Å; D371-V373 PolarHBondContact O-N 2.9Å; D371-K374 PolarHBondContact O-N 2.81Å; D371-L375 WeakPolarHBondContact O-CB 3.4Å; D371-L375 WeakPolarHBondContact O-CG 3.34Å; D371-L375 PolarHBondContact O-N 3.02Å
372A93.8Very high91.6Very high0 Ų051.6 Ų51.60%029%0.293CS..Hα-helixtrans-57.9-46.6175.100000111.8V360 A363 M364 R368 F369 E370 K374 L375 R376V360-A372 HydrophobicContact CG1-CB 4.26Å; A363-A372 HydrophobicContact CB-CB 4.23Å; M364-A372 HydrophobicContact CG-CB 3.55Å; M364-A372 HydrophobicContact SD-CB 4.46Å; R368-A372 PolarHBondContact O-N 3.45Å; R368-A372 VanDerWaalsContact O-N 3.12Å; F369-A372 WeakPolarHBondContact O-CB 3.36Å; F369-A372 PolarHBondContact O-N 2.77Å; E370-A372 VanDerWaalsContact C-N 3.34Å; A372-K374 VanDerWaalsContact C-N 3.35Å; A372-K374 PolarHBondContact O-N 2.9Å; A372-L375 PolarHBondContact O-N 3.03Å; A372-R376 WeakPolarHBondContact O-CG 3.42Å; A372-R376 PolarHBondContact O-N 2.79Å
373V93.9Very high91.5Very high10 Ų1049.2 Ų49.26%0.06127%0.272CS..Hα-helixtrans-60.6-42.4175.1171.90000111.7E234 M235 F369 E370 D371 F380 A381E234-V373 HydrophobicContact CB-CG2 3.98Å; M235-V373 HydrophobicContact CB-CG2 4.49Å; M235-V373 HydrophobicContact CE-CG2 3.69Å; F369-V373 PolarHBondContact O-N 2.91Å; E370-V373 PolarHBondContact O-N 3.22Å; D371-V373 PolarHBondContact O-N 2.9Å; V373-F380 HydrophobicContact CG1-CD1 4.18Å; V373-F380 HydrophobicContact CG2-CE1 4.29Å; V373-A381 HydrophobicContact CG1-CB 3.91Å
374K91.4Very high91.5Very high119 Ų11950.7 Ų50.752%0.51728%0.278SS..Hα-helixtrans-65.4-41.2177.1-70.8168-168.9162.90111.8E370 D371 A372 G377E370-K374 VanDerWaalsContact O-CG 3.3Å; E370-K374 WeakPolarHBondContact O-CG 3.42Å; E370-K374 PolarHBondContact O-N 3.37Å; E370-K374 IonicContact OE2-NZ 2.58Å; D371-K374 PolarHBondContact O-N 2.81Å; A372-K374 VanDerWaalsContact C-N 3.35Å; A372-K374 PolarHBondContact O-N 2.9Å; K374-G377 WeakPolarHBondContact O-CA 3.34Å; K374-G377 PolarHBondContact O-N 3.5Å
375L90.3Very high91.5Very high30 Ų3053.7 Ų53.716%0.15730%0.295CS..Hα-helixtrans-66.6-35.7-179.4-74.3170.2000112.4V356 D359 V360 A363 D371 A372 G377 R775V356-L375 HydrophobicContact CG1-CD2 4.32Å; D359-L375 HydrophobicContact CB-CD1 4.15Å; V360-L375 HydrophobicContact CG2-CB 3.5Å; V360-L375 VanDerWaalsContact CG2-CB 3.5Å; V360-L375 HydrophobicContact CG2-CD1 4.24Å; V360-L375 HydrophobicContact CG2-CG 4.49Å; A363-L375 HydrophobicContact CB-CD1 4.18Å; D371-L375 WeakPolarHBondContact O-CB 3.4Å; D371-L375 WeakPolarHBondContact O-CG 3.34Å; D371-L375 PolarHBondContact O-N 3.02Å; A372-L375 PolarHBondContact O-N 3.03Å; L375-G377 PolarHBondContact O-N 3.31Å; L375-R775 VanDerWaalsContact CD2-NH1 3.34Å; L375-R775 PolarHBondContact O-NH2 2.89Å
376R89.6Confident91.5Very high40 Ų4050.4 Ų50.415%0.15127%0.265CS..Hα-helixtrans-59.8-23.3170.2-71.3-68.3-169.5-151.9-3.6113.2D170 H213 C214 E234 A372 F380D170-R376 VanDerWaalsContact CA-NH1 3.35Å; D170-R376 PolarHBondContact O-NH1 2.81Å; H213-R376 PolarHBondContact O-NH2 2.99Å; C214-R376 VanDerWaalsContact SG-CZ 3.54Å; E234-R376 HydrophobicContact CG-CG 4.07Å; E234-R376 IonicContact OE1-CZ 3.28Å; E234-R376 IonicContact OE1-NE 2.82Å; E234-R376 PolarHBondContact OE1-NE 3.13Å; E234-R376 IonicContact OE1-NH2 2.72Å; E234-R376 PolarHBondContact OE1-NH2 2.85Å; E234-R376 VanDerWaalsContact OE1-NH2 3.16Å; A372-R376 WeakPolarHBondContact O-CG 3.42Å; A372-R376 PolarHBondContact O-N 2.79Å; R376-F380 HydrophobicContact CB-CB 3.71Å; R376-F380 HydrophobicContact CB-CD1 4.17Å; R376-F380 HydrophobicContact CB-CD2 4.01Å; R376-F380 HydrophobicContact CB-CG 3.71Å; R376-F380 HydrophobicContact CG-CD1 4.47Å; R376-F380 HydrophobicContact CG-CD2 4.13Å; R376-F380 HydrophobicContact CG-CE2 4.43Å; R376-F380 HydrophobicContact CG-CG 4.19Å
377G87.1Confident91.4Very high23 Ų2347.4 Ų47.424%0.23724%0.243CC..  trans104.6173172.600000114.7K374 L375 S379 F380 A381K374-G377 WeakPolarHBondContact O-CA 3.34Å; K374-G377 PolarHBondContact O-N 3.5Å; L375-G377 PolarHBondContact O-N 3.31Å; G377-S379 VanDerWaalsContact C-N 3.31Å; G377-S379 PolarHBondContact O-N 3.37Å; G377-F380 PolarHBondContact O-N 3.31Å; G377-A381 PolarHBondContact O-N 3.17Å; G377-A381 VanDerWaalsContact O-N 3.1Å
378K84.1Confident91.3Very high136 Ų13650.8 Ų50.859%0.59125%0.247SC*.Hα-helixtrans-61.6-35.9-170.8-66.1-175.5178.3-176.10113.1N382K378-N382 VanDerWaalsContact O-CB 3.27Å; K378-N382 WeakPolarHBondContact O-CB 3.32Å; K378-N382 PolarHBondContact O-N 3.17Å; K378-N382 PolarHBondContact O-ND2 2.97Å
379S85.4Confident91Very high37 Ų3747.6 Ų47.626%0.25924%0.238SC..Hα-helixtrans-62.3-48.5179-172.60000111.3G377 N382 N383G377-S379 VanDerWaalsContact C-N 3.31Å; G377-S379 PolarHBondContact O-N 3.37Å; S379-N382 PolarHBondContact O-N 2.95Å; S379-N383 VanDerWaalsContact O-CG 3.24Å; S379-N383 PolarHBondContact O-N 3.5Å; S379-N383 PolarHBondContact O-OD1 3.42Å
380F91.6Very high90.5Very high6 Ų647.7 Ų47.73%0.02624%0.239CC..Hα-helixtrans-61.2-50.4177.2-168.2-74.1000111.2Y216 L219 I232 E234 V373 R376 G377 N382 N383 W384Y216-F380 AromaticContact CD2-CD2 3.85Å; Y216-F380 HydrophobicContact CD2-CD2 3.85Å; Y216-F380 HydrophobicContact CD2-CE2 4.43Å; L219-F380 HydrophobicContact CD2-CD1 4.3Å; L219-F380 HydrophobicContact CD2-CE1 3.99Å; L219-F380 HydrophobicContact CD2-CE2 4.32Å; L219-F380 HydrophobicContact CD2-CZ 3.99Å; I232-F380 HydrophobicContact CD1-CE1 4.25Å; I232-F380 HydrophobicContact CD1-CZ 4.09Å; E234-F380 HydrophobicContact CB-CE1 4Å; E234-F380 HydrophobicContact CB-CZ 3.94Å; E234-F380 VanDerWaalsContact CD-CZ 3.48Å; E234-F380 HydrophobicContact CG-CE1 4.2Å; E234-F380 HydrophobicContact CG-CE2 4.44Å; E234-F380 HydrophobicContact CG-CZ 3.81Å; V373-F380 HydrophobicContact CG1-CD1 4.18Å; V373-F380 HydrophobicContact CG2-CE1 4.29Å; R376-F380 HydrophobicContact CB-CB 3.71Å; R376-F380 HydrophobicContact CB-CD1 4.17Å; R376-F380 HydrophobicContact CB-CD2 4.01Å; R376-F380 HydrophobicContact CB-CG 3.71Å; R376-F380 HydrophobicContact CG-CD1 4.47Å; R376-F380 HydrophobicContact CG-CD2 4.13Å; R376-F380 HydrophobicContact CG-CE2 4.43Å; R376-F380 HydrophobicContact CG-CG 4.19Å; G377-F380 PolarHBondContact O-N 3.31Å; F380-N382 VanDerWaalsContact C-N 3.31Å; F380-N382 PolarHBondContact O-N 3.45Å; F380-N383 PolarHBondContact O-N 3.32Å; F380-N383 VanDerWaalsContact O-N 3.14Å; F380-W384 PolarHBondContact O-N 3.44Å
381A91.7Very high89.8Confident19 Ų1942.1 Ų42.116%0.15722%0.215CC..Hα-helixtrans-58.6-41.6179.100000112.5V373 G377 W384 N385V373-A381 HydrophobicContact CG1-CB 3.91Å; G377-A381 PolarHBondContact O-N 3.17Å; G377-A381 VanDerWaalsContact O-N 3.1Å; A381-W384 PolarHBondContact O-N 2.93Å; A381-N385 WeakPolarHBondContact O-CB 3.14Å; A381-N385 PolarHBondContact O-N 3.37Å; A381-N385 PolarHBondContact O-ND2 3.31Å
382N89.6Confident89Confident83 Ų8341.4 Ų41.444%0.44421%0.21SC..Hα-helixtrans-65.4-40.2176.7-73.4-21.4000112.3K378 S379 F380 T386K378-N382 VanDerWaalsContact O-CB 3.27Å; K378-N382 WeakPolarHBondContact O-CB 3.32Å; K378-N382 PolarHBondContact O-N 3.17Å; K378-N382 PolarHBondContact O-ND2 2.97Å; S379-N382 PolarHBondContact O-N 2.95Å; F380-N382 VanDerWaalsContact C-N 3.31Å; F380-N382 PolarHBondContact O-N 3.45Å; N382-T386 WeakPolarHBondContact O-CB 3.3Å; N382-T386 PolarHBondContact O-N 3.27Å; N382-T386 PolarHBondContact O-OG1 2.96Å
383N92.8Very high88.1Confident1 Ų144.6 Ų44.61%0.00523%0.227CC..Hα-helixtrans-63.8-43.9174.8-66.9-11.3000110.3L219 L223 S379 F380 T386 Y387 K679L219-N383 HydrophobicContact CD2-CB 3.81Å; L219-N383 HydrophobicContact CG-CB 4.11Å; L223-N383 HydrophobicContact CD1-CB 3.8Å; S379-N383 VanDerWaalsContact O-CG 3.24Å; S379-N383 PolarHBondContact O-N 3.5Å; S379-N383 PolarHBondContact O-OD1 3.42Å; F380-N383 PolarHBondContact O-N 3.32Å; F380-N383 VanDerWaalsContact O-N 3.14Å; N383-T386 PolarHBondContact O-N 3.17Å; N383-Y387 WeakPolarHBondContact O-CB 3.41Å; N383-Y387 PolarHBondContact O-N 2.83Å; N383-K679 WeakPolarHBondContact OD1-CD 3.3Å; N383-K679 WeakPolarHBondContact OD1-CE 3.44Å; N383-K679 PolarHBondContact OD1-NZ 2.88Å
384W94.3Very high87.2Confident31 Ų3149.4 Ų49.412%0.11725%0.252CS..Hα-helixtrans-61.2-47.9177.7174.9-113.5000111.9L219 V230 I232 M235 F380 A381 T386 Y387 K388L219-W384 HydrophobicContact CD1-CE3 4.07Å; L219-W384 HydrophobicContact CD2-CB 4.16Å; V230-W384 HydrophobicContact CG1-CZ3 4.25Å; I232-W384 HydrophobicContact CD1-CD2 4.34Å; I232-W384 HydrophobicContact CD1-CE3 3.57Å; I232-W384 HydrophobicContact CD1-CZ3 3.73Å; I232-W384 HydrophobicContact CG1-CZ3 4.21Å; M235-W384 HydrophobicContact CB-CD2 4.44Å; M235-W384 HydrophobicContact CB-CH2 4.07Å; M235-W384 HydrophobicContact CB-CZ2 3.82Å; M235-W384 HydrophobicContact CB-CZ3 4.48Å; M235-W384 HydrophobicContact CG-CH2 3.9Å; M235-W384 HydrophobicContact CG-CZ2 3.3Å; F380-W384 PolarHBondContact O-N 3.44Å; A381-W384 PolarHBondContact O-N 2.93Å; W384-T386 PolarHBondContact O-N 3.37Å; W384-Y387 HydrophobicContact CE3-CD1 4.29Å; W384-Y387 AromaticContact CZ3-CD1 3.94Å; W384-Y387 HydrophobicContact CZ3-CD1 3.94Å; W384-Y387 HydrophobicContact CZ3-CE1 4.4Å; W384-Y387 PolarHBondContact O-N 2.96Å; W384-K388 WeakPolarHBondContact O-CB 3.24Å; W384-K388 PolarHBondContact O-N 3.45Å
385N91.8Very high86.4Confident82 Ų8245.4 Ų45.444%0.43924%0.238SC..Hα-helixtrans-62.3-45.4178.5-69.9-19.5000111.4A381 Y387 K388 L389A381-N385 WeakPolarHBondContact O-CB 3.14Å; A381-N385 PolarHBondContact O-N 3.37Å; A381-N385 PolarHBondContact O-ND2 3.31Å; N385-Y387 VanDerWaalsContact C-N 3.32Å; N385-Y387 PolarHBondContact O-N 3.03Å; N385-K388 PolarHBondContact O-N 3.02Å; N385-L389 VanDerWaalsContact O-CG 3.29Å; N385-L389 WeakPolarHBondContact O-CG 3.48Å; N385-L389 PolarHBondContact O-N 2.63Å
386T90.8Very high85.8Confident20 Ų2046.7 Ų46.712%0.12325%0.248CC..Hα-helixtrans-61.1-43.5177.4-54.80000111.1L223 N382 N383 W384 L389 L390 T678 K679 A682L223-T386 HydrophobicContact CD2-CG2 4.18Å; N382-T386 WeakPolarHBondContact O-CB 3.3Å; N382-T386 PolarHBondContact O-N 3.27Å; N382-T386 PolarHBondContact O-OG1 2.96Å; N383-T386 PolarHBondContact O-N 3.17Å; W384-T386 PolarHBondContact O-N 3.37Å; T386-L389 PolarHBondContact O-N 2.94Å; T386-L390 HydrophobicContact CG2-CD1 3.98Å; T386-L390 PolarHBondContact O-N 3.42Å; T386-L390 VanDerWaalsContact O-N 3.1Å; T386-T678 HydrophobicContact CG2-CG2 4.48Å; T386-K679 HydrophobicContact CG2-CG 4.42Å; T386-A682 HydrophobicContact CG2-CB 4.13Å
387Y93Very high84.9Confident6 Ų653 Ų532%0.02429%0.285CS..Hα-helixtrans-60.8-51.5175.6177.3-95.8000110.1L219 A222 L223 W229 V230 N383 W384 N385 L389 L390 A391 H392L219-Y387 HydrophobicContact CD1-CD1 4.44Å; L219-Y387 HydrophobicContact CD1-CG 4Å; A222-Y387 HydrophobicContact CB-CD2 4.15Å; A222-Y387 HydrophobicContact CB-CE2 3.84Å; L223-Y387 HydrophobicContact CD2-CD2 4.24Å; L223-Y387 HydrophobicContact CG-CD2 4.41Å; W229-Y387 WeakPolarHBondContact CA-OH 3.49Å; V230-Y387 HydrophobicContact CB-CE1 4.26Å; V230-Y387 HydrophobicContact CB-CE2 4.31Å; V230-Y387 HydrophobicContact CG1-CD1 3.76Å; V230-Y387 HydrophobicContact CG1-CD2 4.43Å; V230-Y387 HydrophobicContact CG1-CE1 3.29Å; V230-Y387 HydrophobicContact CG1-CE2 4.03Å; V230-Y387 HydrophobicContact CG1-CG 4.32Å; V230-Y387 VanDerWaalsContact CG1-CZ 3.45Å; V230-Y387 PolarHBondContact N-OH 3.02Å; N383-Y387 WeakPolarHBondContact O-CB 3.41Å; N383-Y387 PolarHBondContact O-N 2.83Å; W384-Y387 HydrophobicContact CE3-CD1 4.29Å; W384-Y387 AromaticContact CZ3-CD1 3.94Å; W384-Y387 HydrophobicContact CZ3-CD1 3.94Å; W384-Y387 HydrophobicContact CZ3-CE1 4.4Å; W384-Y387 PolarHBondContact O-N 2.96Å; N385-Y387 VanDerWaalsContact C-N 3.32Å; N385-Y387 PolarHBondContact O-N 3.03Å; Y387-L389 VanDerWaalsContact C-N 3.28Å; Y387-L389 PolarHBondContact O-N 3.08Å; Y387-L390 PolarHBondContact O-N 3.17Å; Y387-L390 VanDerWaalsContact O-N 3.17Å; Y387-A391 HydrophobicContact CD1-CB 4.03Å; Y387-A391 HydrophobicContact CD2-CB 4.13Å; Y387-A391 HydrophobicContact CE1-CB 3.61Å; Y387-A391 HydrophobicContact CE2-CB 3.75Å; Y387-A391 HydrophobicContact CG-CB 4.25Å; Y387-A391 VanDerWaalsContact CZ-CB 3.45Å; Y387-A391 WeakPolarHBondContact O-CA 3.27Å; Y387-A391 WeakPolarHBondContact O-CB 3.31Å; Y387-A391 PolarHBondContact O-N 3.38Å; Y387-H392 AromaticContact CE1-NE2 3.62Å
388K90.6Very high84.3Confident111 Ų11157.7 Ų57.748%0.48331%0.309SS..Hα-helixtrans-53.8-44.5-179.1-175.1178.6178.2179.30112.3W384 N385 H392W384-K388 WeakPolarHBondContact O-CB 3.24Å; W384-K388 PolarHBondContact O-N 3.45Å; N385-K388 PolarHBondContact O-N 3.02Å; K388-H392 PolarHBondContact O-N 2.94Å
389L87.4Confident84Confident46 Ų4658.8 Ų58.824%0.24131%0.313CS..Hα-helixtrans-62.1-55.2176.7-66.1173.5000111.6N385 T386 Y387 A391 I393 M426 I429 L686N385-L389 VanDerWaalsContact O-CG 3.29Å; N385-L389 WeakPolarHBondContact O-CG 3.48Å; N385-L389 PolarHBondContact O-N 2.63Å; T386-L389 PolarHBondContact O-N 2.94Å; Y387-L389 VanDerWaalsContact C-N 3.28Å; Y387-L389 PolarHBondContact O-N 3.08Å; L389-A391 PolarHBondContact O-N 2.67Å; L389-I393 HydrophobicContact CD2-CD1 3.39Å; L389-I393 HydrophobicContact CG-CD1 4.47Å; L389-I393 WeakPolarHBondContact O-CB 3.22Å; L389-M426 HydrophobicContact CB-CE 4.03Å; L389-M426 HydrophobicContact CB-SD 3.93Å; L389-M426 HydrophobicContact CD1-CE 3.96Å; L389-M426 HydrophobicContact CG-CE 4.45Å; L389-I429 WeakPolarHBondContact O-CD1 3.31Å; L389-L686 HydrophobicContact CD1-CD1 4.03Å
390L84.5Confident83.9Confident14 Ų1458.6 Ų58.67%0.07331%0.312CS..Hα-helixtrans-69.7-23.5-175.9-72.5172.3000113.9T386 Y387 R425 M426 T678T386-L390 HydrophobicContact CG2-CD1 3.98Å; T386-L390 PolarHBondContact O-N 3.42Å; T386-L390 VanDerWaalsContact O-N 3.1Å; Y387-L390 PolarHBondContact O-N 3.17Å; Y387-L390 VanDerWaalsContact O-N 3.17Å; L390-R425 HydrophobicContact CD2-CB 3.95Å; L390-M426 HydrophobicContact CD2-CG 3.82Å; L390-M426 HydrophobicContact CD2-SD 3.59Å; L390-M426 VanDerWaalsContact CD2-SD 3.59Å; L390-M426 HydrophobicContact CG-SD 3.97Å; L390-T678 HydrophobicContact CD1-CG2 3.54Å
391A79.6Confident83.6Confident14 Ų1465.4 Ų65.412%0.11635%0.349CS..Hα-helixtrans-98.9-58.7-17100000111.5R248 Y387 L389R248-A391 PolarHBondContact NE-O 3.49Å; R248-A391 PolarHBondContact NH1-O 2.78Å; R248-A391 VanDerWaalsContact NH1-O 3.13Å; R248-A391 VanDerWaalsContact NH2-C 3.26Å; R248-A391 PolarHBondContact NH2-O 3.38Å; Y387-A391 HydrophobicContact CD1-CB 4.03Å; Y387-A391 HydrophobicContact CD2-CB 4.13Å; Y387-A391 HydrophobicContact CE1-CB 3.61Å; Y387-A391 HydrophobicContact CE2-CB 3.75Å; Y387-A391 HydrophobicContact CG-CB 4.25Å; Y387-A391 VanDerWaalsContact CZ-CB 3.45Å; Y387-A391 WeakPolarHBondContact O-CA 3.27Å; Y387-A391 WeakPolarHBondContact O-CB 3.31Å; Y387-A391 PolarHBondContact O-N 3.38Å; L389-A391 PolarHBondContact O-N 2.67Å
392H74.9Confident83.7Confident42 Ų4266.4 Ų66.419%0.19435%0.351CS..Hα-helixtrans-95.9-14-166.2-64.8-72.5000114.5W229 H244 R248 Y387 K388W229-H392 AromaticContact CD2-CE1 3.99Å; W229-H392 AromaticContact CE2-CE1 3.97Å; W229-H392 AromaticContact CE3-CE1 3.7Å; W229-H392 AromaticContact CH2-CE1 3.45Å; W229-H392 VanDerWaalsContact CH2-CE1 3.45Å; W229-H392 WeakPolarHBondContact CH2-CE1 3.3Å; W229-H392 AromaticContact CH2-ND1 3.84Å; W229-H392 AromaticContact CZ2-CE1 3.72Å; W229-H392 AromaticContact CZ3-CE1 3.43Å; W229-H392 VanDerWaalsContact CZ3-CE1 3.43Å; W229-H392 WeakPolarHBondContact CZ3-CE1 3.38Å; W229-H392 AromaticContact CZ3-ND1 3.66Å; H244-H392 AromaticContact CE1-ND1 3.65Å; H244-H392 AromaticContact NE2-ND1 3.96Å; R248-H392 PolarHBondContact NH1-CE1 2.93Å; R248-H392 PolarHBondContact NH1-ND1 3.23Å; R248-H392 VanDerWaalsContact NH1-ND1 3.13Å; Y387-H392 AromaticContact CE1-NE2 3.62Å; K388-H392 PolarHBondContact O-N 2.94Å
393I75.9Confident84.1Confident67 Ų6763.6 Ų63.634%0.34434%0.336SS..PPolyproline II helixtrans-87.9125.9-177.9-58.4-171.2000110L389 I429L389-I393 HydrophobicContact CD2-CD1 3.39Å; L389-I393 HydrophobicContact CG-CD1 4.47Å; L389-I393 WeakPolarHBondContact O-CB 3.22Å; I393-I429 HydrophobicContact CB-CG2 4.26Å; I393-I429 HydrophobicContact CG2-CG2 3.63Å
394N74.8Confident84.4Confident111 Ų11163.6 Ų63.659%0.59434%0.336SS*.PPolyproline II helixtrans-80.4141.3170.7-70.7-43000109.9
395P74.9Confident84.6Confident34 Ų3462.1 Ų62.122%0.22133%0.331CS..PPolyproline II helixtrans-53.9142.5169.5-24.434.5000111.1I428P395-I428 HydrophobicContact CB-CG2 3.91Å; P395-I428 HydrophobicContact CG-CG2 3.93Å
396P77.4Confident84.9Confident58 Ų5858.2 Ų58.238%0.37731%0.31SS..PPolyproline II helixtrans-65.9146.4177.127.3-34.3000110.8V398 I429P396-V398 PolarHBondContact O-N 3.49Å; P396-I429 WeakPolarHBondContact CD-O 3.3Å
397D71.6Confident85.2Confident172 Ų17257.3 Ų57.392%0.9230%0.304SS*.SBendtrans-66.2-30.3176.6-64.4-41.7000111.9
398V73.3Confident85.5Confident121 Ų12157 Ų5773%0.73330%0.303SS*.SBendtrans-97.3119.9178.3-175.60000109.8P396P396-V398 PolarHBondContact O-N 3.49Å
399K78.1Confident85.9Confident159 Ų15951.8 Ų51.869%0.69128%0.28SS*.PPolyproline II helixtrans-80140.1173.3-62.6-175.7-178179.90110.5
400S83Confident86.3Confident34 Ų3449.7 Ų49.724%0.23827%0.27CS..PPolyproline II helixtrans-72.1154.6165.671.80000110.7I402 G431 H432S400-I402 PolarHBondContact O-N 2.82Å; S400-I402 VanDerWaalsContact O-N 3.13Å; S400-G431 WeakPolarHBondContact CB-O 3.35Å; S400-G431 PolarHBondContact N-O 2.89Å; S400-G431 VanDerWaalsContact OG-C 3.28Å; S400-G431 PolarHBondContact OG-O 3.08Å; S400-H432 WeakPolarHBondContact OG-CA 3.45Å; S400-H432 PolarHBondContact OG-ND1 3.24Å
401N86.3Confident86.9Confident149 Ų14950.2 Ų50.280%0.79728%0.276SS*.SBendtrans-79.118.4173.7-67.7-17.3000113H492N401-H492 PolarHBondContact O-CE1 2.58Å
402I94.1Very high87.6Confident39 Ų3951.6 Ų51.620%0.228%0.284CS..  trans-98121.1-176.1-62.1175.1000109S400 V404 S433 H492 L692S400-I402 PolarHBondContact O-N 2.82Å; S400-I402 VanDerWaalsContact O-N 3.13Å; I402-V404 HydrophobicContact CG2-CG2 3.93Å; I402-S433 PolarHBondContact O-N 2.89Å; I402-H492 HydrophobicContact CG2-CB 4.26Å; I402-L692 HydrophobicContact CD1-CD1 4.48Å; I402-L692 HydrophobicContact CG2-CD1 3.74Å
403N97.1Very high88.6Confident25 Ų2549.6 Ų49.613%0.13428%0.275CS..EExtended strand (participates in β ladder)trans-98.1125.2171-58.7-16000110.5S433 F435 F489 N490 H492N403-S433 CarbonylContact C-O 3.54Å; N403-S433 VanDerWaalsContact CA-O 3.28Å; N403-S433 WeakPolarHBondContact CA-O 3.45Å; N403-S433 WeakPolarHBondContact OD1-CB 3.16Å; N403-F435 HydrophobicContact CB-CD2 3.95Å; N403-F435 HydrophobicContact CB-CE2 3.61Å; N403-F435 VanDerWaalsContact CG-CE2 3.49Å; N403-F489 PolarHBondContact ND2-O 2.93Å; N403-N490 VanDerWaalsContact CB-O 3.28Å; N403-N490 WeakPolarHBondContact CB-O 2.99Å; N403-N490 PolarHBondContact ND2-O 2.87Å; N403-H492 PolarHBondContact N-ND1 3.18Å; N403-H492 PolarHBondContact O-N 2.79Å
404V98.2Very high89.5Confident0 Ų046.5 Ų46.50%026%0.259CS..EExtended strand (participates in β ladder)trans-119.6129.1176.4-177.30000108.9I402 H432 S433 M434 F435 A493 V495 I685 L688I402-V404 HydrophobicContact CG2-CG2 3.93Å; V404-H432 HydrophobicContact CG2-CB 4.11Å; V404-S433 PolarHBondContact N-O 3.19Å; V404-M434 HydrophobicContact CB-CE 3.94Å; V404-M434 HydrophobicContact CB-SD 3.8Å; V404-M434 HydrophobicContact CG1-CE 3.95Å; V404-M434 HydrophobicContact CG1-SD 4.42Å; V404-M434 HydrophobicContact CG2-SD 4.44Å; V404-M434 WeakPolarHBondContact O-CA 3.36Å; V404-F435 PolarHBondContact O-N 3.47Å; V404-A493 HydrophobicContact CG1-CB 4.15Å; V404-A493 HydrophobicContact CG2-CB 4.19Å; V404-V495 HydrophobicContact CG1-CG2 4.3Å; V404-I685 HydrophobicContact CG1-CD1 4.13Å; V404-L688 HydrophobicContact CG1-CD1 4.35Å
405A98.5Very high90.5Very high1 Ų141.2 Ų41.21%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-105.8138.7178.500000111.8F435 V437 I491 A493 L494 V495A405-F435 CarbonylContact C-O 3.6Å; A405-F435 VanDerWaalsContact CA-O 3.32Å; A405-F435 WeakPolarHBondContact CA-O 3.38Å; A405-F435 HydrophobicContact CB-CB 4.14Å; A405-V437 HydrophobicContact CB-CG2 3.92Å; A405-I491 HydrophobicContact CB-CD1 3.9Å; A405-I491 HydrophobicContact CB-CG1 4.31Å; A405-I491 HydrophobicContact CB-CG2 3.93Å; A405-A493 PolarHBondContact N-O 2.91Å; A405-L494 HydrophobicContact CB-CD2 3.87Å; A405-L494 CarbonylContact O-C 3.57Å; A405-L494 WeakPolarHBondContact O-CA 3.39Å; A405-V495 PolarHBondContact O-N 3.44Å
406V98.7Very high91.5Very high0 Ų039.6 Ų39.60%022%0.22CC..EExtended strand (participates in β ladder)trans-115.7137.5176.363.70000110.4V420 V424 F435 V437 L468 V495 I497V406-V420 HydrophobicContact CG1-CG1 4.16Å; V406-V420 HydrophobicContact CG2-CG1 4.38Å; V406-V420 HydrophobicContact CG2-CG2 4.19Å; V406-V424 HydrophobicContact CG1-CG2 4.01Å; V406-F435 WeakPolarHBondContact CG1-O 3.36Å; V406-F435 PolarHBondContact N-O 3.3Å; V406-V437 PolarHBondContact O-N 3.49Å; V406-L468 HydrophobicContact CG1-CD1 4.19Å; V406-V495 WeakPolarHBondContact CA-O 3.43Å; V406-V495 HydrophobicContact CB-CB 4.32Å; V406-V495 HydrophobicContact CG2-CB 4.1Å; V406-V495 HydrophobicContact CG2-CG1 4.17Å; V406-I497 HydrophobicContact CG2-CD1 3.85Å
407M98.4Very high92.5Very high1 Ų136.8 Ų36.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-147.7152.7-178.570.5-177.8145.900112.7I409 V437 F441 L444 L494 V495 I496 I497M407-I409 HydrophobicContact CG-CD1 4.3Å; M407-I409 HydrophobicContact CG-CG1 4.32Å; M407-I409 HydrophobicContact SD-CD1 4.15Å; M407-V437 HydrophobicContact CB-CB 3.82Å; M407-V437 HydrophobicContact CB-CG1 4.38Å; M407-V437 HydrophobicContact CB-CG2 4.42Å; M407-F441 HydrophobicContact CE-CD1 4.21Å; M407-F441 HydrophobicContact CE-CE1 3.66Å; M407-F441 HydrophobicContact CE-CZ 4.44Å; M407-F441 HydrophobicContact SD-CD1 4.18Å; M407-F441 HydrophobicContact SD-CE1 4.1Å; M407-L444 HydrophobicContact CE-CD2 4.1Å; M407-L444 HydrophobicContact SD-CD2 4.22Å; M407-L494 HydrophobicContact CE-CB 4.48Å; M407-L494 HydrophobicContact CE-CD1 3.98Å; M407-L494 HydrophobicContact CE-CD2 4.35Å; M407-V495 PolarHBondContact N-O 2.96Å; M407-I496 HydrophobicContact CE-CD1 3.8Å; M407-I496 HydrophobicContact CE-CG1 3.67Å; M407-I496 HydrophobicContact CE-CG2 4.48Å; M407-I496 HydrophobicContact CG-CG2 4.3Å; M407-I497 PolarHBondContact O-N 3.39Å
408N98.6Very high93.7Very high0 Ų028.6 Ų28.60%016%0.158CC..EExtended strand (participates in β ladder)trans-108.4133.8176.5-66.9-11.2000110.8V420 S466 T470 I497N408-V420 WeakPolarHBondContact OD1-CG2 3.47Å; N408-S466 PolarHBondContact ND2-OG 3.4Å; N408-T470 PolarHBondContact O-OG1 3.18Å; N408-I497 CarbonylContact C-O 3.52Å; N408-I497 VanDerWaalsContact CA-O 3.23Å; N408-I497 WeakPolarHBondContact CA-O 3.12Å; N408-I497 WeakPolarHBondContact OD1-CB 3.18Å
409I98.4Very high94.9Very high0 Ų022.9 Ų22.90%012%0.124CC..EExtended strand (participates in β ladder)trans-130.5138.1-176.6-53.1-64.2000110.8M407 F441 T470 I496 I497 G498 G499 E501 A502M407-I409 HydrophobicContact CG-CD1 4.3Å; M407-I409 HydrophobicContact CG-CG1 4.32Å; M407-I409 HydrophobicContact SD-CD1 4.15Å; I409-F441 HydrophobicContact CD1-CD1 4.39Å; I409-F441 HydrophobicContact CD1-CD2 3.57Å; I409-F441 HydrophobicContact CD1-CE1 4.47Å; I409-F441 HydrophobicContact CD1-CE2 3.71Å; I409-F441 HydrophobicContact CD1-CG 3.96Å; I409-F441 HydrophobicContact CD1-CZ 4.17Å; I409-F441 HydrophobicContact CG1-CD2 4.26Å; I409-F441 HydrophobicContact CG1-CE2 3.87Å; I409-F441 HydrophobicContact CG1-CZ 4.18Å; I409-F441 HydrophobicContact CG2-CD2 4.25Å; I409-F441 HydrophobicContact CG2-CE2 3.89Å; I409-T470 VanDerWaalsContact C-OG1 3.25Å; I409-T470 WeakPolarHBondContact CA-OG1 3.32Å; I409-T470 PolarHBondContact N-OG1 2.93Å; I409-I496 HydrophobicContact CB-CG2 4.3Å; I409-I496 HydrophobicContact CG1-CG2 3.55Å; I409-I497 PolarHBondContact N-O 3.29Å; I409-G498 WeakPolarHBondContact O-CA 3.24Å; I409-G499 PolarHBondContact O-N 2.94Å; I409-E501 HydrophobicContact CG2-CB 3.86Å; I409-A502 HydrophobicContact CB-CB 3.89Å; I409-A502 HydrophobicContact CG2-CB 4.19Å
410G96.7Very high95.9Very high2 Ų215.3 Ų15.32%0.0219%0.091CC..SBendtrans98.3-154.9178.600000113.4T470 K471G410-T470 PolarHBondContact N-OG1 3.47Å; G410-T470 WeakPolarHBondContact O-CG2 3.43Å; G410-T470 PolarHBondContact O-OG1 2.87Å; G410-K471 PolarHBondContact N-O 3.38Å
411A95.8Very high96.5Very high25 Ų2514.2 Ų14.221%0.2078%0.081CC..SBendtrans-77.2145.5176.300000111.1M416A411-M416 VanDerWaalsContact O-CE 3.24Å; A411-M416 WeakPolarHBondContact O-CE 3.4Å
412P95.3Very high97Very high43 Ų437.1 Ų7.128%0.2794%0.044SC..  trans-65.9142.5176.328.5-34.3000110.9T470P412-T470 HydrophobicContact CB-CG2 3.93Å; P412-T470 HydrophobicContact CG-CG2 4.4Å
413C94.9Very high97.2Very high1 Ų15.3 Ų5.31%0.0073%0.034CC..  trans-142.9153.3169.671.30000110.8G415 M416 V530 I541C413-G415 PolarHBondContact O-N 2.99Å; C413-M416 PolarHBondContact O-N 3.42Å; C413-V530 HydrophobicContact CB-CG1 3.89Å; C413-I541 PolarHBondContact SG-O 3.39Å
414A94.8Very high97.2Very high1 Ų14.1 Ų4.11%0.0083%0.028CC..THydrogen-bonded Turntrans-63.6134.8178.200000110.7G542 T545 P669A414-G542 WeakPolarHBondContact O-CA 3.43Å; A414-G542 PolarHBondContact O-N 3.31Å; A414-T545 HydrophobicContact CB-CG2 3.68Å; A414-P669 HydrophobicContact CB-CB 3.76Å
415G96Very high97Very high0 Ų04.9 Ų4.90%03%0.031CC..THydrogen-bonded Turntrans103.7-15.9-179.500000115.1C413 N417 A418 A419 I541C413-G415 PolarHBondContact O-N 2.99Å; G415-N417 VanDerWaalsContact C-N 3.27Å; G415-N417 PolarHBondContact O-N 3.28Å; G415-A418 WeakPolarHBondContact O-CB 3.27Å; G415-A418 PolarHBondContact O-N 2.66Å; G415-A418 VanDerWaalsContact O-N 3.07Å; G415-A419 PolarHBondContact O-N 3.47Å; G415-I541 VanDerWaalsContact C-CG2 3.41Å
416M97.3Very high96.9Very high0 Ų04.9 Ų4.90%03%0.03CC..Hα-helixtrans-54.2-45173.1-74.5-179.4164.600111.6A411 C413 A418 A419 V420 I497 A528A411-M416 VanDerWaalsContact O-CE 3.24Å; A411-M416 WeakPolarHBondContact O-CE 3.4Å; C413-M416 PolarHBondContact O-N 3.42Å; M416-A418 VanDerWaalsContact C-N 3.27Å; M416-A418 PolarHBondContact O-N 3.31Å; M416-A419 WeakPolarHBondContact O-CB 3.07Å; M416-A419 PolarHBondContact O-N 3.22Å; M416-A419 VanDerWaalsContact O-N 3.12Å; M416-V420 WeakPolarHBondContact O-CG2 3.44Å; M416-V420 PolarHBondContact O-N 3.32Å; M416-I497 HydrophobicContact CB-CG2 4.49Å; M416-I497 HydrophobicContact CG-CG2 4.19Å; M416-A528 HydrophobicContact CE-CB 3.77Å; M416-A528 HydrophobicContact CG-CB 3.9Å
417N97.9Very high96.7Very high0 Ų04.9 Ų4.90%03%0.03CC..Hα-helixtrans-63.8-30.8179.5-61.5-37.7000113.2G415 R421 W460 K463 G464 G465 M467G415-N417 VanDerWaalsContact C-N 3.27Å; G415-N417 PolarHBondContact O-N 3.28Å; N417-R421 VanDerWaalsContact O-CB 3.26Å; N417-R421 WeakPolarHBondContact O-CB 3.37Å; N417-R421 PolarHBondContact O-N 3.29Å; N417-W460 HydrophobicContact CB-CB 4.12Å; N417-W460 HydrophobicContact CB-CE3 4.41Å; N417-W460 VanDerWaalsContact CB-O 3.27Å; N417-W460 WeakPolarHBondContact CB-O 3.47Å; N417-K463 PolarHBondContact ND2-O 3.49Å; N417-G464 PolarHBondContact ND2-O 3.36Å; N417-G465 PolarHBondContact ND2-O 3.04Å; N417-G465 VanDerWaalsContact ND2-O 3.14Å; N417-M467 WeakPolarHBondContact OD1-CG 3.21Å; N417-M467 PolarHBondContact OD1-N 2.56Å
418A97.3Very high96.5Very high0 Ų06.4 Ų6.40%04%0.038CC..Hα-helixtrans-68.1-40.6174.500000111.2G415 M416 A422 T461G415-A418 WeakPolarHBondContact O-CB 3.27Å; G415-A418 PolarHBondContact O-N 2.66Å; G415-A418 VanDerWaalsContact O-N 3.07Å; M416-A418 VanDerWaalsContact C-N 3.27Å; M416-A418 PolarHBondContact O-N 3.31Å; A418-A422 WeakPolarHBondContact O-CB 3.41Å; A418-A422 PolarHBondContact O-N 3.29Å; A418-T461 HydrophobicContact CB-CG2 3.99Å
419A97.9Very high96.2Very high0 Ų07 Ų70%04%0.041CC..Hα-helixtrans-65.6-46.317400000112.4G415 M416 R421 A422 A423 I497 I541 G677G415-A419 PolarHBondContact O-N 3.47Å; M416-A419 WeakPolarHBondContact O-CB 3.07Å; M416-A419 PolarHBondContact O-N 3.22Å; M416-A419 VanDerWaalsContact O-N 3.12Å; A419-R421 PolarHBondContact O-N 3.21Å; A419-A422 PolarHBondContact O-N 3.36Å; A419-A423 WeakPolarHBondContact O-CB 3.26Å; A419-A423 PolarHBondContact O-N 3.17Å; A419-I497 HydrophobicContact CB-CD1 3.86Å; A419-I497 HydrophobicContact CB-CG2 4.44Å; A419-I541 HydrophobicContact CB-CD1 3.94Å; A419-G677 WeakPolarHBondContact CA-O 3.47Å; A419-G677 WeakPolarHBondContact CB-O 3.27Å
420V98.4Very high95.9Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-57.1-50.5174.8175.20000110.5V406 N408 M416 A422 A423 V424 W460 L468 I497V406-V420 HydrophobicContact CG1-CG1 4.16Å; V406-V420 HydrophobicContact CG2-CG1 4.38Å; V406-V420 HydrophobicContact CG2-CG2 4.19Å; N408-V420 WeakPolarHBondContact OD1-CG2 3.47Å; M416-V420 WeakPolarHBondContact O-CG2 3.44Å; M416-V420 PolarHBondContact O-N 3.32Å; V420-A422 VanDerWaalsContact C-N 3.33Å; V420-A422 PolarHBondContact O-N 3.17Å; V420-A423 PolarHBondContact O-N 3.47Å; V420-V424 HydrophobicContact CG1-CG2 4.22Å; V420-V424 WeakPolarHBondContact O-CG2 3.32Å; V420-V424 PolarHBondContact O-N 3.38Å; V420-W460 HydrophobicContact CB-CE3 4.43Å; V420-W460 HydrophobicContact CB-CZ3 4.41Å; V420-W460 HydrophobicContact CG1-CE3 4.11Å; V420-W460 HydrophobicContact CG1-CZ3 3.73Å; V420-L468 HydrophobicContact CG1-CD1 3.96Å; V420-L468 HydrophobicContact CG1-CG 4.37Å; V420-L468 HydrophobicContact CG2-CD1 3.92Å; V420-L468 HydrophobicContact CG2-CG 4.47Å; V420-I497 HydrophobicContact CB-CD1 4.42Å; V420-I497 HydrophobicContact CG2-CD1 3.58Å
421R97.1Very high95.7Very high12 Ų1210.1 Ų10.15%0.0456%0.057CC..Hα-helixtrans-56.1-47.7179.6174.9-175.9168.3-84.33.1111.8N417 A419 R425 V457 W460 T461N417-R421 VanDerWaalsContact O-CB 3.26Å; N417-R421 WeakPolarHBondContact O-CB 3.37Å; N417-R421 PolarHBondContact O-N 3.29Å; A419-R421 PolarHBondContact O-N 3.21Å; R421-R425 WeakPolarHBondContact O-CB 3.49Å; R421-R425 WeakPolarHBondContact O-CG 3.14Å; R421-R425 PolarHBondContact O-N 3.4Å; R421-V457 HydrophobicContact CB-CB 4.04Å; R421-V457 HydrophobicContact CB-CG2 4.39Å; R421-V457 WeakPolarHBondContact CD-O 3.36Å; R421-V457 HydrophobicContact CG-CB 4.03Å; R421-V457 HydrophobicContact CG-CG2 3.96Å; R421-V457 WeakPolarHBondContact CG-O 3.49Å; R421-W460 HydrophobicContact CB-CB 4.19Å; R421-T461 WeakPolarHBondContact CD-OG1 3.39Å; R421-T461 PolarHBondContact NE-OG1 3.27Å
422A96.6Very high95.7Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-67.6-40.9-178.200000112A418 A419 V420 R425 M426 T678 A682A418-A422 WeakPolarHBondContact O-CB 3.41Å; A418-A422 PolarHBondContact O-N 3.29Å; A419-A422 PolarHBondContact O-N 3.36Å; V420-A422 VanDerWaalsContact C-N 3.33Å; V420-A422 PolarHBondContact O-N 3.17Å; A422-R425 PolarHBondContact O-N 3.46Å; A422-M426 VanDerWaalsContact O-CB 3.3Å; A422-M426 WeakPolarHBondContact O-CB 3.04Å; A422-M426 WeakPolarHBondContact O-CG 3.27Å; A422-M426 PolarHBondContact O-N 3.27Å; A422-T678 HydrophobicContact CB-CG2 3.98Å; A422-T678 WeakPolarHBondContact CB-O 2.92Å; A422-A682 HydrophobicContact CB-CB 4.47Å
423A97.8Very high95.7Very high0 Ų09.3 Ų9.30%05%0.049CC..Hα-helixtrans-61.8-47.5174.800000111.4A419 V420 R425 M426 G427 I685A419-A423 WeakPolarHBondContact O-CB 3.26Å; A419-A423 PolarHBondContact O-N 3.17Å; V420-A423 PolarHBondContact O-N 3.47Å; A423-R425 PolarHBondContact O-N 3.39Å; A423-M426 PolarHBondContact O-N 3.17Å; A423-G427 PolarHBondContact O-N 3.5Å; A423-I685 HydrophobicContact CB-CD1 4.27Å; A423-I685 HydrophobicContact CB-CG1 3.96Å; A423-I685 VanDerWaalsContact O-CG1 3.31Å; A423-I685 WeakPolarHBondContact O-CG1 3.38Å
424V97Very high95.8Very high0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-60.6-48.5177.9170.80000111.5V406 V420 G427 I428 M434 I452 V457V406-V424 HydrophobicContact CG1-CG2 4.01Å; V420-V424 HydrophobicContact CG1-CG2 4.22Å; V420-V424 WeakPolarHBondContact O-CG2 3.32Å; V420-V424 PolarHBondContact O-N 3.38Å; V424-G427 PolarHBondContact O-N 3.08Å; V424-I428 HydrophobicContact CG1-CD1 3.85Å; V424-I428 VanDerWaalsContact O-CG1 3.3Å; V424-I428 WeakPolarHBondContact O-CG1 3.44Å; V424-I428 PolarHBondContact O-N 2.96Å; V424-M434 HydrophobicContact CG1-CB 4.34Å; V424-M434 HydrophobicContact CG1-CG 4.5Å; V424-I452 HydrophobicContact CB-CG2 4.45Å; V424-I452 HydrophobicContact CG1-CG1 4.28Å; V424-I452 HydrophobicContact CG1-CG2 3.94Å; V424-I452 HydrophobicContact CG2-CD1 4.16Å; V424-I452 HydrophobicContact CG2-CG1 4.34Å; V424-I452 HydrophobicContact CG2-CG2 3.62Å; V424-V457 HydrophobicContact CB-CG1 4.1Å; V424-V457 HydrophobicContact CB-CG2 4.26Å; V424-V457 HydrophobicContact CG1-CG1 4.11Å; V424-V457 HydrophobicContact CG1-CG2 4.03Å; V424-V457 HydrophobicContact CG2-CG1 4.1Å
425R94.4Very high96Very high17 Ų1710.8 Ų10.86%0.0646%0.055CC..Hα-helixtrans-65.5-42.7-178.8-72.5-171.4174.6-157.9-2112.3L390 R421 A422 A423 I428 I429 W454 V457 S458L390-R425 HydrophobicContact CD2-CB 3.95Å; R421-R425 WeakPolarHBondContact O-CB 3.49Å; R421-R425 WeakPolarHBondContact O-CG 3.14Å; R421-R425 PolarHBondContact O-N 3.4Å; A422-R425 PolarHBondContact O-N 3.46Å; A423-R425 PolarHBondContact O-N 3.39Å; R425-I428 PolarHBondContact O-N 2.9Å; R425-I429 VanDerWaalsContact O-CG1 3.27Å; R425-I429 WeakPolarHBondContact O-CG1 3.47Å; R425-I429 PolarHBondContact O-N 3Å; R425-W454 HydrophobicContact CB-CE3 4.01Å; R425-W454 HydrophobicContact CB-CH2 4.25Å; R425-W454 HydrophobicContact CB-CZ3 3.72Å; R425-W454 HydrophobicContact CG-CD2 4Å; R425-W454 HydrophobicContact CG-CE3 3.7Å; R425-W454 HydrophobicContact CG-CH2 4.23Å; R425-W454 HydrophobicContact CG-CZ2 4.5Å; R425-W454 HydrophobicContact CG-CZ3 3.83Å; R425-V457 HydrophobicContact CG-CG2 4.07Å; R425-S458 PolarHBondContact NH2-OG 2.86Å
426M95.1Very high96.1Very high0 Ų010.8 Ų10.80%06%0.056CC..Hα-helixtrans-64.9-40.9175.6-74.9-50.6-56.700112L389 L390 A422 A423 I428 I429 E430 A682 I685 L686L389-M426 HydrophobicContact CB-CE 4.03Å; L389-M426 HydrophobicContact CB-SD 3.93Å; L389-M426 HydrophobicContact CD1-CE 3.96Å; L389-M426 HydrophobicContact CG-CE 4.45Å; L390-M426 HydrophobicContact CD2-CG 3.82Å; L390-M426 HydrophobicContact CD2-SD 3.59Å; L390-M426 VanDerWaalsContact CD2-SD 3.59Å; L390-M426 HydrophobicContact CG-SD 3.97Å; A422-M426 VanDerWaalsContact O-CB 3.3Å; A422-M426 WeakPolarHBondContact O-CB 3.04Å; A422-M426 WeakPolarHBondContact O-CG 3.27Å; A422-M426 PolarHBondContact O-N 3.27Å; A423-M426 PolarHBondContact O-N 3.17Å; M426-I428 VanDerWaalsContact C-N 3.31Å; M426-I428 PolarHBondContact O-N 3.44Å; M426-I429 WeakPolarHBondContact O-CB 3.09Å; M426-I429 PolarHBondContact O-N 3.45Å; M426-I429 VanDerWaalsContact O-N 3.09Å; M426-I429 HydrophobicContact SD-CD1 4.13Å; M426-E430 WeakPolarHBondContact O-CG 3.36Å; M426-E430 PolarHBondContact O-N 3.28Å; M426-A682 HydrophobicContact CG-CB 3.54Å; M426-A682 HydrophobicContact SD-CB 4.39Å; M426-I685 HydrophobicContact CB-CB 4.01Å; M426-I685 HydrophobicContact CB-CG1 4.29Å; M426-I685 HydrophobicContact CB-CG2 4.04Å; M426-L686 HydrophobicContact CE-CD1 4.49Å; M426-L686 HydrophobicContact CE-CD2 3.81Å; M426-L686 HydrophobicContact CE-CG 4.19Å
427G95.4Very high96.2Very high0 Ų010.8 Ų10.80%06%0.056CC..Hα-helixtrans-61.8-41.2178.100000112.2A423 V424 I429 E430 G431 H432A423-G427 PolarHBondContact O-N 3.5Å; V424-G427 PolarHBondContact O-N 3.08Å; G427-I429 VanDerWaalsContact C-N 3.33Å; G427-I429 PolarHBondContact O-N 3.45Å; G427-E430 CarbonylContact O-C 3.58Å; G427-E430 PolarHBondContact O-N 2.99Å; G427-G431 PolarHBondContact O-N 2.91Å; G427-H432 WeakPolarHBondContact O-CA 3.45Å; G427-H432 WeakPolarHBondContact O-CB 3.31Å; G427-H432 PolarHBondContact O-N 3.07Å
428I93.9Very high96.2Very high34 Ų3413.6 Ų13.617%0.1747%0.067CC..Hα-helixtrans-63.7-38.8173.6-67166.4000111.4P395 V424 R425 M426 E430 G431 M434 W454P395-I428 HydrophobicContact CB-CG2 3.91Å; P395-I428 HydrophobicContact CG-CG2 3.93Å; V424-I428 HydrophobicContact CG1-CD1 3.85Å; V424-I428 VanDerWaalsContact O-CG1 3.3Å; V424-I428 WeakPolarHBondContact O-CG1 3.44Å; V424-I428 PolarHBondContact O-N 2.96Å; R425-I428 PolarHBondContact O-N 2.9Å; M426-I428 VanDerWaalsContact C-N 3.31Å; M426-I428 PolarHBondContact O-N 3.44Å; I428-E430 VanDerWaalsContact C-N 3.35Å; I428-G431 WeakPolarHBondContact O-CA 3.46Å; I428-G431 PolarHBondContact O-N 2.94Å; I428-M434 HydrophobicContact CG1-CG 3.95Å; I428-W454 HydrophobicContact CD1-CB 4.26Å; I428-W454 HydrophobicContact CG2-CE3 4.48Å
429I92.4Very high96.2Very high12 Ų1216.6 Ų16.66%0.0628%0.081CC..Hα-helixtrans-65.5-37.2176.3-71.5166000111.6L389 I393 P396 R425 M426 G427 G431 W454L389-I429 WeakPolarHBondContact O-CD1 3.31Å; I393-I429 HydrophobicContact CB-CG2 4.26Å; I393-I429 HydrophobicContact CG2-CG2 3.63Å; P396-I429 WeakPolarHBondContact CD-O 3.3Å; R425-I429 VanDerWaalsContact O-CG1 3.27Å; R425-I429 WeakPolarHBondContact O-CG1 3.47Å; R425-I429 PolarHBondContact O-N 3Å; M426-I429 WeakPolarHBondContact O-CB 3.09Å; M426-I429 PolarHBondContact O-N 3.45Å; M426-I429 VanDerWaalsContact O-N 3.09Å; M426-I429 HydrophobicContact SD-CD1 4.13Å; G427-I429 VanDerWaalsContact C-N 3.33Å; G427-I429 PolarHBondContact O-N 3.45Å; I429-G431 PolarHBondContact O-N 3.06Å; I429-W454 HydrophobicContact CD1-CH2 4.22Å; I429-W454 HydrophobicContact CD1-CZ3 4Å; I429-W454 HydrophobicContact CG1-CZ3 4.05Å
430E92.1Very high96.1Very high63 Ų6316.6 Ų16.629%0.2948%0.081SC..THydrogen-bonded Turntrans-76.32172.7-63-59.2139.200112.8M426 G427 I428 I685 L686 T689M426-E430 WeakPolarHBondContact O-CG 3.36Å; M426-E430 PolarHBondContact O-N 3.28Å; G427-E430 CarbonylContact O-C 3.58Å; G427-E430 PolarHBondContact O-N 2.99Å; I428-E430 VanDerWaalsContact C-N 3.35Å; E430-I685 HydrophobicContact CG-CG2 4.21Å; E430-L686 HydrophobicContact CG-CD2 4.4Å; E430-L686 WeakPolarHBondContact OE1-CD2 3.42Å; E430-T689 HydrophobicContact CB-CG2 4.35Å; E430-T689 HydrophobicContact CG-CG2 4.4Å
431G92.8Very high96.1Very high5 Ų516.6 Ų16.65%0.0528%0.081CC..THydrogen-bonded Turntrans79.911.2178.300000114.4S400 G427 I428 I429S400-G431 WeakPolarHBondContact CB-O 3.35Å; S400-G431 PolarHBondContact N-O 2.89Å; S400-G431 VanDerWaalsContact OG-C 3.28Å; S400-G431 PolarHBondContact OG-O 3.08Å; G427-G431 PolarHBondContact O-N 2.91Å; I428-G431 WeakPolarHBondContact O-CA 3.46Å; I428-G431 PolarHBondContact O-N 2.94Å; I429-G431 PolarHBondContact O-N 3.06Å
432H95Very high96.1Very high12 Ų1217.3 Ų17.36%0.0569%0.085CC..  trans-78.1149.3178.3-55.1-31.8000112.3S400 V404 G427 M434 T689S400-H432 WeakPolarHBondContact OG-CA 3.45Å; S400-H432 PolarHBondContact OG-ND1 3.24Å; V404-H432 HydrophobicContact CG2-CB 4.11Å; G427-H432 WeakPolarHBondContact O-CA 3.45Å; G427-H432 WeakPolarHBondContact O-CB 3.31Å; G427-H432 PolarHBondContact O-N 3.07Å; H432-M434 HydrophobicContact CB-SD 4.1Å; H432-T689 PolarHBondContact NE2-OG1 2.86Å
433S96Very high96.1Very high38 Ų3817.3 Ų17.327%0.2669%0.085SC..EExtended strand (participates in β ladder)trans-83.7115.9168.5-66.60000109.1I402 N403 V404I402-S433 PolarHBondContact O-N 2.89Å; N403-S433 CarbonylContact C-O 3.54Å; N403-S433 VanDerWaalsContact CA-O 3.28Å; N403-S433 WeakPolarHBondContact CA-O 3.45Å; N403-S433 WeakPolarHBondContact OD1-CB 3.16Å; V404-S433 PolarHBondContact N-O 3.19Å
434M97.4Very high96.1Very high7 Ų717.3 Ų17.33%0.0349%0.085CC..EExtended strand (participates in β ladder)trans-95136.8-175.3-59.5-54.4-66.600111.3V404 V424 I428 H432 I452 I685V404-M434 HydrophobicContact CB-CE 3.94Å; V404-M434 HydrophobicContact CB-SD 3.8Å; V404-M434 HydrophobicContact CG1-CE 3.95Å; V404-M434 HydrophobicContact CG1-SD 4.42Å; V404-M434 HydrophobicContact CG2-SD 4.44Å; V404-M434 WeakPolarHBondContact O-CA 3.36Å; V424-M434 HydrophobicContact CG1-CB 4.34Å; V424-M434 HydrophobicContact CG1-CG 4.5Å; I428-M434 HydrophobicContact CG1-CG 3.95Å; H432-M434 HydrophobicContact CB-SD 4.1Å; M434-I452 HydrophobicContact CB-CG2 3.69Å; M434-I452 PolarHBondContact O-N 3.24Å; M434-I685 HydrophobicContact CE-CD1 3.9Å
435F98.4Very high96.1Very high26 Ų2617.7 Ų17.711%0.1149%0.089CC..EExtended strand (participates in β ladder)trans-122.5137.8176.3-69.1-93.4000111N403 V404 A405 V406 I449 E450 P451N403-F435 HydrophobicContact CB-CD2 3.95Å; N403-F435 HydrophobicContact CB-CE2 3.61Å; N403-F435 VanDerWaalsContact CG-CE2 3.49Å; V404-F435 PolarHBondContact O-N 3.47Å; A405-F435 CarbonylContact C-O 3.6Å; A405-F435 VanDerWaalsContact CA-O 3.32Å; A405-F435 WeakPolarHBondContact CA-O 3.38Å; A405-F435 HydrophobicContact CB-CB 4.14Å; V406-F435 WeakPolarHBondContact CG1-O 3.36Å; V406-F435 PolarHBondContact N-O 3.3Å; F435-I449 HydrophobicContact CB-CG2 3.8Å; F435-I449 HydrophobicContact CD1-CG2 3.9Å; F435-I449 HydrophobicContact CG-CG2 4.19Å; F435-E450 CarbonylContact C-O 3.45Å; F435-E450 WeakPolarHBondContact CA-O 3.48Å; F435-P451 HydrophobicContact CD1-CG 4.33Å; F435-P451 HydrophobicContact CE1-CB 4.42Å; F435-P451 HydrophobicContact CE1-CG 3.91Å
436A98.4Very high96.3Very high1 Ų123 Ų231%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-95.5129.5168.900000109.4Y438 I449 E450 I452 L468A436-Y438 HydrophobicContact CB-CE2 4.24Å; A436-I449 WeakPolarHBondContact O-CA 3.3Å; A436-E450 PolarHBondContact N-O 3.17Å; A436-E450 PolarHBondContact O-N 2.91Å; A436-I452 HydrophobicContact CB-CB 3.94Å; A436-I452 HydrophobicContact CB-CD1 3.85Å; A436-I452 HydrophobicContact CB-CG1 4.45Å; A436-I452 HydrophobicContact CB-CG2 4.27Å; A436-L468 HydrophobicContact CB-CD2 3.73Å
437V98.5Very high96.3Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-103.9118.3169.9-177.20000107.6A405 V406 M407 L444 I449A405-V437 HydrophobicContact CB-CG2 3.92Å; V406-V437 PolarHBondContact O-N 3.49Å; M407-V437 HydrophobicContact CB-CB 3.82Å; M407-V437 HydrophobicContact CB-CG1 4.38Å; M407-V437 HydrophobicContact CB-CG2 4.42Å; V437-L444 HydrophobicContact CG1-CB 3.74Å; V437-L444 HydrophobicContact CG1-CD1 4.24Å; V437-L444 HydrophobicContact CG2-CD1 4.2Å; V437-I449 HydrophobicContact CG2-CG1 4.27Å; V437-I449 HydrophobicContact CG2-CG2 4.32Å
438Y98Very high96.4Very high58 Ų5827.6 Ų27.623%0.22714%0.141CC..THydrogen-bonded Turntrans-82.8153.2179.3-65.7-87.3000111.4A436 G440 G443 Q448 E450 L468A436-Y438 HydrophobicContact CB-CE2 4.24Å; Y438-G440 PolarHBondContact O-N 3.05Å; Y438-G443 WeakPolarHBondContact O-CA 3.49Å; Y438-Q448 PolarHBondContact N-O 3.05Å; Y438-E450 HydrophobicContact CD2-CG 4.48Å; Y438-E450 HydrophobicContact CE2-CB 4.03Å; Y438-E450 HydrophobicContact CE2-CG 3.91Å; Y438-E450 VanDerWaalsContact CE2-OE2 3.31Å; Y438-E450 WeakPolarHBondContact CE2-OE2 3.22Å; Y438-E450 PolarHBondContact OH-OE2 3.17Å; Y438-L468 CarbonylContact C-O 3.54Å; Y438-L468 WeakPolarHBondContact CA-O 3.47Å; Y438-L468 WeakPolarHBondContact CD1-O 3.49Å; Y438-L468 HydrophobicContact CE1-CD2 4.14Å
439E96.6Very high96.6Very high63 Ų6326.4 Ų26.429%0.29414%0.135SC..THydrogen-bonded Turntrans5724.7172.7-56.8-57.7132.700115.3L468 G469 K471E439-L468 PolarHBondContact N-O 2.96Å; E439-G469 WeakPolarHBondContact OE1-CA 3.27Å; E439-K471 HydrophobicContact CB-CD 4.39Å; E439-K471 WeakPolarHBondContact OE2-CE 3.48Å; E439-K471 IonicContact OE2-NZ 2.98Å
440G96.6Very high96.9Very high0 Ų030.9 Ų30.90%016%0.155CC..Hα-helixtrans66.7-141.2173.600000114.3Y438 D442 G443 L444Y438-G440 PolarHBondContact O-N 3.05Å; G440-D442 PolarHBondContact O-N 3.48Å; G440-G443 PolarHBondContact O-N 3.33Å; G440-L444 PolarHBondContact O-N 2.92Å
441F98.1Very high97.1Very high1 Ų132.9 Ų32.90%0.00417%0.174CC..Hα-helixtrans-63.7-28.8-178.6-66.4-59000113.4M407 I409 L444 A445 T473 P475 I482 I496 L509M407-F441 HydrophobicContact CE-CD1 4.21Å; M407-F441 HydrophobicContact CE-CE1 3.66Å; M407-F441 HydrophobicContact CE-CZ 4.44Å; M407-F441 HydrophobicContact SD-CD1 4.18Å; M407-F441 HydrophobicContact SD-CE1 4.1Å; I409-F441 HydrophobicContact CD1-CD1 4.39Å; I409-F441 HydrophobicContact CD1-CD2 3.57Å; I409-F441 HydrophobicContact CD1-CE1 4.47Å; I409-F441 HydrophobicContact CD1-CE2 3.71Å; I409-F441 HydrophobicContact CD1-CG 3.96Å; I409-F441 HydrophobicContact CD1-CZ 4.17Å; I409-F441 HydrophobicContact CG1-CD2 4.26Å; I409-F441 HydrophobicContact CG1-CE2 3.87Å; I409-F441 HydrophobicContact CG1-CZ 4.18Å; I409-F441 HydrophobicContact CG2-CD2 4.25Å; I409-F441 HydrophobicContact CG2-CE2 3.89Å; F441-L444 HydrophobicContact CD1-CD2 4.42Å; F441-L444 PolarHBondContact O-N 2.94Å; F441-A445 WeakPolarHBondContact O-CB 3.45Å; F441-A445 PolarHBondContact O-N 3.49Å; F441-T473 VanDerWaalsContact CD2-O 3.31Å; F441-T473 WeakPolarHBondContact CD2-O 3.48Å; F441-P475 HydrophobicContact CD1-CB 3.97Å; F441-P475 HydrophobicContact CD1-CG 4.42Å; F441-P475 HydrophobicContact CD2-CB 4.43Å; F441-P475 HydrophobicContact CD2-CG 4.39Å; F441-P475 HydrophobicContact CE1-CB 4.27Å; F441-P475 HydrophobicContact CE1-CG 4.3Å; F441-P475 HydrophobicContact CE2-CG 4.25Å; F441-P475 HydrophobicContact CG-CB 4.07Å; F441-P475 HydrophobicContact CG-CG 4.48Å; F441-P475 HydrophobicContact CZ-CG 4.2Å; F441-I482 HydrophobicContact CB-CD1 4.32Å; F441-I482 HydrophobicContact CD1-CD1 4.25Å; F441-I496 HydrophobicContact CZ-CD1 4.42Å; F441-L509 HydrophobicContact CE1-CD1 3.95Å; F441-L509 HydrophobicContact CZ-CD1 4.42Å
442D97.3Very high97.3Very high26 Ų2633.1 Ų33.114%0.13917%0.174CC..Hα-helixtrans-63.4-48.2174.8-76.2-51.3000111.2G440 L444 A445 Q446 K471 T473G440-D442 PolarHBondContact O-N 3.48Å; D442-L444 VanDerWaalsContact C-N 3.35Å; D442-A445 PolarHBondContact O-N 3.26Å; D442-Q446 WeakPolarHBondContact O-CB 3.45Å; D442-Q446 VanDerWaalsContact O-CG 3.22Å; D442-Q446 WeakPolarHBondContact O-CG 3.47Å; D442-Q446 PolarHBondContact O-N 3.47Å; D442-K471 HydrophobicContact CB-CD 4.27Å; D442-K471 WeakPolarHBondContact OD2-CD 3.37Å; D442-K471 IonicContact OD2-NZ 3.85Å; D442-T473 VanDerWaalsContact OD2-CB 3.28Å; D442-T473 WeakPolarHBondContact OD2-CB 3.48Å; D442-T473 PolarHBondContact OD2-OG1 3.1Å
443G97.1Very high97.2Very high0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-70.5-32.5177.900000112.4Y438 G440 A445 Q446 G447 Q448Y438-G443 WeakPolarHBondContact O-CA 3.49Å; G440-G443 PolarHBondContact O-N 3.33Å; G443-A445 VanDerWaalsContact C-N 3.31Å; G443-A445 PolarHBondContact O-N 2.96Å; G443-Q446 CarbonylContact O-C 3.56Å; G443-Q446 PolarHBondContact O-N 3.4Å; G443-G447 PolarHBondContact O-N 2.81Å; G443-Q448 PolarHBondContact O-N 3.3Å
444L97.5Very high96.9Very high0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-58.6-43.9170.3-171.152000111.6M407 V437 G440 F441 D442 Q446 G447 I449 I482 N485 I491M407-L444 HydrophobicContact CE-CD2 4.1Å; M407-L444 HydrophobicContact SD-CD2 4.22Å; V437-L444 HydrophobicContact CG1-CB 3.74Å; V437-L444 HydrophobicContact CG1-CD1 4.24Å; V437-L444 HydrophobicContact CG2-CD1 4.2Å; G440-L444 PolarHBondContact O-N 2.92Å; F441-L444 HydrophobicContact CD1-CD2 4.42Å; F441-L444 PolarHBondContact O-N 2.94Å; D442-L444 VanDerWaalsContact C-N 3.35Å; L444-Q446 VanDerWaalsContact C-N 3.35Å; L444-G447 PolarHBondContact O-N 2.7Å; L444-I449 HydrophobicContact CD1-CD1 3.56Å; L444-I449 HydrophobicContact CD1-CG1 4.37Å; L444-I482 HydrophobicContact CB-CG1 4.36Å; L444-I482 HydrophobicContact CD2-CG1 4.3Å; L444-I482 HydrophobicContact CD2-CG2 3.65Å; L444-I482 HydrophobicContact CG-CB 4.45Å; L444-I482 HydrophobicContact CG-CG1 4.12Å; L444-I482 HydrophobicContact CG-CG2 3.99Å; L444-N485 WeakPolarHBondContact O-CB 3.14Å; L444-N485 PolarHBondContact O-ND2 2.93Å; L444-I491 HydrophobicContact CD1-CD1 4.36Å
445A97.8Very high96.4Very high9 Ų937.6 Ų37.67%0.07420%0.198CC..Hα-helixtrans-70.2-30.4177.600000113F441 D442 G443 L478 K481 I482 N485F441-A445 WeakPolarHBondContact O-CB 3.45Å; F441-A445 PolarHBondContact O-N 3.49Å; D442-A445 PolarHBondContact O-N 3.26Å; G443-A445 VanDerWaalsContact C-N 3.31Å; G443-A445 PolarHBondContact O-N 2.96Å; A445-L478 HydrophobicContact CB-CB 3.89Å; A445-L478 HydrophobicContact CB-CD1 4.09Å; A445-L478 HydrophobicContact CB-CD2 4.14Å; A445-L478 HydrophobicContact CB-CG 4.27Å; A445-K481 HydrophobicContact CB-CB 3.91Å; A445-I482 HydrophobicContact CB-CG1 3.96Å; A445-N485 VanDerWaalsContact C-ND2 3.29Å; A445-N485 PolarHBondContact O-ND2 2.86Å
446Q97.4Very high96.1Very high128 Ų12839.3 Ų39.360%0.59821%0.211SC*.Hα-helixtrans-88.9-4.3179.5-67.3171.324.500113.4D442 G443 L444 Q448D442-Q446 WeakPolarHBondContact O-CB 3.45Å; D442-Q446 VanDerWaalsContact O-CG 3.22Å; D442-Q446 WeakPolarHBondContact O-CG 3.47Å; D442-Q446 PolarHBondContact O-N 3.47Å; G443-Q446 CarbonylContact O-C 3.56Å; G443-Q446 PolarHBondContact O-N 3.4Å; L444-Q446 VanDerWaalsContact C-N 3.35Å; Q446-Q448 HydrophobicContact CB-CG 4.18Å
447G96.4Very high95.9Very high20 Ų2039.3 Ų39.321%0.20621%0.21CC..THydrogen-bonded Turntrans74.225-17800000113.8G443 L444 I449 N485G443-G447 PolarHBondContact O-N 2.81Å; L444-G447 PolarHBondContact O-N 2.7Å; G447-I449 PolarHBondContact O-N 2.76Å; G447-N485 PolarHBondContact N-ND2 2.78Å
448Q97.8Very high95.4Very high76 Ų7641.3 Ų41.336%0.35522%0.224SC..  trans-76.561.9172.8-59-175.411.300110.5Y438 G443 Q446Y438-Q448 PolarHBondContact N-O 3.05Å; G443-Q448 PolarHBondContact O-N 3.3Å; Q446-Q448 HydrophobicContact CB-CG 4.18Å
449I98.1Very high94.9Very high10 Ų1040.4 Ų40.45%0.05123%0.233CC..EExtended strand (participates in β ladder)trans-120.5122.5-174.6-47.7-178.2000108.3F435 A436 V437 L444 G447 N485 F489 I491F435-I449 HydrophobicContact CB-CG2 3.8Å; F435-I449 HydrophobicContact CD1-CG2 3.9Å; F435-I449 HydrophobicContact CG-CG2 4.19Å; A436-I449 WeakPolarHBondContact O-CA 3.3Å; V437-I449 HydrophobicContact CG2-CG1 4.27Å; V437-I449 HydrophobicContact CG2-CG2 4.32Å; L444-I449 HydrophobicContact CD1-CD1 3.56Å; L444-I449 HydrophobicContact CD1-CG1 4.37Å; G447-I449 PolarHBondContact O-N 2.76Å; I449-N485 HydrophobicContact CD1-CB 4.32Å; I449-F489 HydrophobicContact CB-CD1 4.1Å; I449-F489 HydrophobicContact CB-CD2 4.41Å; I449-F489 HydrophobicContact CB-CE1 3.9Å; I449-F489 HydrophobicContact CB-CE2 4.23Å; I449-F489 HydrophobicContact CB-CG 4.35Å; I449-F489 HydrophobicContact CB-CZ 3.96Å; I449-F489 HydrophobicContact CD1-CB 4.49Å; I449-F489 HydrophobicContact CD1-CD2 3.65Å; I449-F489 HydrophobicContact CD1-CE2 3.91Å; I449-F489 HydrophobicContact CD1-CG 4.03Å; I449-F489 HydrophobicContact CG1-CD2 4.41Å; I449-F489 HydrophobicContact CG1-CE2 4.25Å; I449-F489 HydrophobicContact CG1-CZ 4.43Å; I449-F489 HydrophobicContact CG2-CD1 4.16Å; I449-F489 HydrophobicContact CG2-CE1 4.4Å; I449-F489 HydrophobicContact CG2-CG 4.4Å; I449-I491 HydrophobicContact CD1-CD1 3.86Å
450E97.6Very high94.8Very high105 Ų10538.5 Ų38.549%0.49122%0.223SC..EExtended strand (participates in β ladder)trans-127.6144-178.2-61-176.5164.200111F435 A436 Y438 I452F435-E450 CarbonylContact C-O 3.45Å; F435-E450 WeakPolarHBondContact CA-O 3.48Å; A436-E450 PolarHBondContact N-O 3.17Å; A436-E450 PolarHBondContact O-N 2.91Å; Y438-E450 HydrophobicContact CD2-CG 4.48Å; Y438-E450 HydrophobicContact CE2-CB 4.03Å; Y438-E450 HydrophobicContact CE2-CG 3.91Å; Y438-E450 VanDerWaalsContact CE2-OE2 3.31Å; Y438-E450 WeakPolarHBondContact CE2-OE2 3.22Å; Y438-E450 PolarHBondContact OH-OE2 3.17Å; E450-I452 PolarHBondContact O-N 3.03Å
451P97.1Very high94.5Very high105 Ų10538.5 Ų38.568%0.68222%0.223SC*.EExtended strand (participates in β ladder)trans-57.7133.5168.8-2132.2000110.6F435F435-P451 HydrophobicContact CD1-CG 4.33Å; F435-P451 HydrophobicContact CE1-CB 4.42Å; F435-P451 HydrophobicContact CE1-CG 3.91Å
452I96.6Very high94.2Very high10 Ų1039.5 Ų39.55%0.05123%0.233CC..  trans-115.1133.7178.5-168.9160.9000111V424 M434 A436 E450 T456 V457 W460 L468V424-I452 HydrophobicContact CB-CG2 4.45Å; V424-I452 HydrophobicContact CG1-CG1 4.28Å; V424-I452 HydrophobicContact CG1-CG2 3.94Å; V424-I452 HydrophobicContact CG2-CD1 4.16Å; V424-I452 HydrophobicContact CG2-CG1 4.34Å; V424-I452 HydrophobicContact CG2-CG2 3.62Å; M434-I452 HydrophobicContact CB-CG2 3.69Å; M434-I452 PolarHBondContact O-N 3.24Å; A436-I452 HydrophobicContact CB-CB 3.94Å; A436-I452 HydrophobicContact CB-CD1 3.85Å; A436-I452 HydrophobicContact CB-CG1 4.45Å; A436-I452 HydrophobicContact CB-CG2 4.27Å; E450-I452 PolarHBondContact O-N 3.03Å; I452-T456 HydrophobicContact CD1-CG2 4.18Å; I452-T456 HydrophobicContact CG1-CG2 3.94Å; I452-V457 HydrophobicContact CD1-CG1 3.53Å; I452-V457 HydrophobicContact CG1-CG1 3.94Å; I452-W460 HydrophobicContact CD1-CH2 4.12Å; I452-W460 HydrophobicContact CD1-CZ3 4.46Å; I452-L468 HydrophobicContact CD1-CD2 4.45Å
453S92.1Very high94.1Very high52 Ų5244 Ų4436%0.36425%0.252SS..  trans-107.8166.4-172.880.40000112.8N455 T456S453-N455 PolarHBondContact O-N 2.95Å; S453-N455 PolarHBondContact OG-N 2.93Å; S453-T456 PolarHBondContact N-OG1 2.91Å; S453-T456 PolarHBondContact O-N 3.14Å; S453-T456 PolarHBondContact OG-N 2.85Å; S453-T456 PolarHBondContact OG-OG1 3.27Å
454W89.6Confident93.9Very high25 Ų2545.2 Ų45.210%0.09527%0.265CS..THydrogen-bonded Turntrans-51.7-39.9173.2-175.2-85000113.1R425 I428 I429 V457 S458R425-W454 HydrophobicContact CB-CE3 4.01Å; R425-W454 HydrophobicContact CB-CH2 4.25Å; R425-W454 HydrophobicContact CB-CZ3 3.72Å; R425-W454 HydrophobicContact CG-CD2 4Å; R425-W454 HydrophobicContact CG-CE3 3.7Å; R425-W454 HydrophobicContact CG-CH2 4.23Å; R425-W454 HydrophobicContact CG-CZ2 4.5Å; R425-W454 HydrophobicContact CG-CZ3 3.83Å; I428-W454 HydrophobicContact CD1-CB 4.26Å; I428-W454 HydrophobicContact CG2-CE3 4.48Å; I429-W454 HydrophobicContact CD1-CH2 4.22Å; I429-W454 HydrophobicContact CD1-CZ3 4Å; I429-W454 HydrophobicContact CG1-CZ3 4.05Å; W454-V457 WeakPolarHBondContact O-CG2 3.44Å; W454-S458 PolarHBondContact O-OG 3.26Å
455N88.4Confident93.8Very high75 Ų7546.7 Ų46.740%0.40128%0.28SS..THydrogen-bonded Turntrans-79.7-34.2-175.8-68.8-22.4000112.5R255 S453 V457 S458R255-N455 PolarHBondContact O-ND2 3.22Å; R255-N455 PolarHBondContact O-OD1 3.29Å; S453-N455 PolarHBondContact O-N 2.95Å; S453-N455 PolarHBondContact OG-N 2.93Å; N455-V457 PolarHBondContact O-N 3.26Å; N455-S458 VanDerWaalsContact O-CB 3.25Å; N455-S458 WeakPolarHBondContact O-CB 3.24Å; N455-S458 PolarHBondContact O-N 2.62Å; N455-S458 PolarHBondContact O-OG 3.1Å
456T91.7Very high93.7Very high62 Ų6247.6 Ų47.638%0.3829%0.285SS..THydrogen-bonded Turntrans-56.5-40.6178.5-51.70000110.9I452 S453 W460I452-T456 HydrophobicContact CD1-CG2 4.18Å; I452-T456 HydrophobicContact CG1-CG2 3.94Å; S453-T456 PolarHBondContact N-OG1 2.91Å; S453-T456 PolarHBondContact O-N 3.14Å; S453-T456 PolarHBondContact OG-N 2.85Å; S453-T456 PolarHBondContact OG-OG1 3.27Å; T456-W460 HydrophobicContact CG2-CZ2 4.28Å; T456-W460 VanDerWaalsContact O-CE2 3.27Å; T456-W460 PolarHBondContact O-NE1 3.07Å
457V93.1Very high93.7Very high0 Ų045.9 Ų45.90%028%0.279CS..THydrogen-bonded Turntrans-89.67-179.8-60.60000114.3R421 V424 R425 I452 W454 N455 G459 W460R421-V457 HydrophobicContact CB-CB 4.04Å; R421-V457 HydrophobicContact CB-CG2 4.39Å; R421-V457 WeakPolarHBondContact CD-O 3.36Å; R421-V457 HydrophobicContact CG-CB 4.03Å; R421-V457 HydrophobicContact CG-CG2 3.96Å; R421-V457 WeakPolarHBondContact CG-O 3.49Å; V424-V457 HydrophobicContact CB-CG1 4.1Å; V424-V457 HydrophobicContact CB-CG2 4.26Å; V424-V457 HydrophobicContact CG1-CG1 4.11Å; V424-V457 HydrophobicContact CG1-CG2 4.03Å; V424-V457 HydrophobicContact CG2-CG1 4.1Å; R425-V457 HydrophobicContact CG-CG2 4.07Å; I452-V457 HydrophobicContact CD1-CG1 3.53Å; I452-V457 HydrophobicContact CG1-CG1 3.94Å; W454-V457 WeakPolarHBondContact O-CG2 3.44Å; N455-V457 PolarHBondContact O-N 3.26Å; V457-G459 PolarHBondContact O-N 3.06Å; V457-W460 HydrophobicContact CB-CD2 4.24Å; V457-W460 HydrophobicContact CB-CE3 4.4Å; V457-W460 HydrophobicContact CB-CG 4.4Å; V457-W460 HydrophobicContact CG1-CD2 4.25Å; V457-W460 HydrophobicContact CG1-CE3 4.04Å; V457-W460 HydrophobicContact CG1-CH2 4.37Å; V457-W460 HydrophobicContact CG1-CZ3 4.1Å; V457-W460 WeakPolarHBondContact O-CB 3.27Å; V457-W460 PolarHBondContact O-N 2.64Å
458S88.4Confident93.8Very high42 Ų4245 Ų4529%0.29427%0.269SS..THydrogen-bonded Turntrans-66.8133.7177.9-73.20000111.1R425 W454 N455 W460R425-S458 PolarHBondContact NH2-OG 2.86Å; W454-S458 PolarHBondContact O-OG 3.26Å; N455-S458 VanDerWaalsContact O-CB 3.25Å; N455-S458 WeakPolarHBondContact O-CB 3.24Å; N455-S458 PolarHBondContact O-N 2.62Å; N455-S458 PolarHBondContact O-OG 3.1Å; S458-W460 PolarHBondContact O-N 3.28Å
459G87.5Confident93.7Very high40 Ų4042 Ų4241%0.41226%0.259SS..THydrogen-bonded Turntrans75.81.2-178.300000115.4V457 T461V457-G459 PolarHBondContact O-N 3.06Å; G459-T461 VanDerWaalsContact C-N 3.26Å; G459-T461 PolarHBondContact O-N 3.23Å
460W94.1Very high93.6Very high22 Ų2242.8 Ų42.88%0.08326%0.264CS..G310 helixtrans-69.7-20.9-179.6-77.531.5000113.5N417 V420 R421 I452 T456 V457 S458 G462 K463 M467 L468N417-W460 HydrophobicContact CB-CB 4.12Å; N417-W460 HydrophobicContact CB-CE3 4.41Å; N417-W460 VanDerWaalsContact CB-O 3.27Å; N417-W460 WeakPolarHBondContact CB-O 3.47Å; V420-W460 HydrophobicContact CB-CE3 4.43Å; V420-W460 HydrophobicContact CB-CZ3 4.41Å; V420-W460 HydrophobicContact CG1-CE3 4.11Å; V420-W460 HydrophobicContact CG1-CZ3 3.73Å; R421-W460 HydrophobicContact CB-CB 4.19Å; I452-W460 HydrophobicContact CD1-CH2 4.12Å; I452-W460 HydrophobicContact CD1-CZ3 4.46Å; T456-W460 HydrophobicContact CG2-CZ2 4.28Å; T456-W460 VanDerWaalsContact O-CE2 3.27Å; T456-W460 PolarHBondContact O-NE1 3.07Å; V457-W460 HydrophobicContact CB-CD2 4.24Å; V457-W460 HydrophobicContact CB-CE3 4.4Å; V457-W460 HydrophobicContact CB-CG 4.4Å; V457-W460 HydrophobicContact CG1-CD2 4.25Å; V457-W460 HydrophobicContact CG1-CE3 4.04Å; V457-W460 HydrophobicContact CG1-CH2 4.37Å; V457-W460 HydrophobicContact CG1-CZ3 4.1Å; V457-W460 WeakPolarHBondContact O-CB 3.27Å; V457-W460 PolarHBondContact O-N 2.64Å; S458-W460 PolarHBondContact O-N 3.28Å; W460-G462 VanDerWaalsContact C-N 3.28Å; W460-G462 PolarHBondContact O-N 2.98Å; W460-K463 PolarHBondContact O-N 3.26Å; W460-K463 VanDerWaalsContact O-N 3.1Å; W460-M467 HydrophobicContact CD2-CB 3.97Å; W460-M467 HydrophobicContact CD2-CG 3.81Å; W460-M467 HydrophobicContact CE3-CB 3.76Å; W460-M467 HydrophobicContact CE3-CG 4Å; W460-M467 HydrophobicContact CG-CG 4.35Å; W460-M467 HydrophobicContact CH2-CB 3.42Å; W460-M467 VanDerWaalsContact CH2-CB 3.42Å; W460-M467 HydrophobicContact CH2-CG 4.3Å; W460-M467 HydrophobicContact CZ2-CB 3.62Å; W460-M467 HydrophobicContact CZ2-CE 4.2Å; W460-M467 HydrophobicContact CZ2-CG 4.1Å; W460-M467 HydrophobicContact CZ3-CB 3.48Å; W460-M467 VanDerWaalsContact CZ3-CB 3.48Å; W460-M467 HydrophobicContact CZ3-CG 4.24Å; W460-L468 HydrophobicContact CH2-CD2 3.87Å; W460-L468 HydrophobicContact CZ3-CD2 4Å; W460-L468 HydrophobicContact CZ3-CG 4.31Å
461T92.1Very high93.5Very high1 Ų141.5 Ų41.51%0.00626%0.257CS..G310 helixtrans-56.3-40.8-177.8-38.20000112.6S224 A418 R421 G459 R674S224-T461 WeakPolarHBondContact O-CG2 3.45Å; A418-T461 HydrophobicContact CB-CG2 3.99Å; R421-T461 WeakPolarHBondContact CD-OG1 3.39Å; R421-T461 PolarHBondContact NE-OG1 3.27Å; G459-T461 VanDerWaalsContact C-N 3.26Å; G459-T461 PolarHBondContact O-N 3.23Å; T461-R674 HydrophobicContact CG2-CB 4.1Å; T461-R674 HydrophobicContact CG2-CG 4.36Å; T461-R674 WeakPolarHBondContact O-CD 3.28Å; T461-R674 WeakPolarHBondContact O-CG 3.4Å
462G91.8Very high93.5Very high21 Ų2143.3 Ų43.322%0.21625%0.25CS..G310 helixtrans-91.75.9-179.100000115W460W460-G462 VanDerWaalsContact C-N 3.28Å; W460-G462 PolarHBondContact O-N 2.98Å
463K94.2Very high93.5Very high120 Ų12045.2 Ų45.252%0.52226%0.262SS..  trans-94.8129.5-177.2-63.5-66.7-177.3179.90111N417 W460N417-K463 PolarHBondContact ND2-O 3.49Å; W460-K463 PolarHBondContact O-N 3.26Å; W460-K463 VanDerWaalsContact O-N 3.1Å
464G93.8Very high93.7Very high27 Ų2745.7 Ų45.728%0.27826%0.26SS..  trans-72.2179.7168.300000113.5N417 G667N417-G464 PolarHBondContact ND2-O 3.36Å; G464-G667 WeakPolarHBondContact CA-O 3.43Å
465G94.2Very high94Very high31 Ų3144.5 Ų44.532%0.3226%0.256SS..SBendtrans65.8-154.417900000113.7N417N417-G465 PolarHBondContact ND2-O 3.04Å; N417-G465 VanDerWaalsContact ND2-O 3.14Å
466S96.6Very high94.2Very high27 Ų2742.7 Ų42.719%0.18926%0.255CS..  trans-128114.2177.1179.70000110.4N408 L468 G469N408-S466 PolarHBondContact ND2-OG 3.4Å; S466-L468 VanDerWaalsContact C-N 3.26Å; S466-L468 PolarHBondContact O-N 2.9Å; S466-G469 PolarHBondContact O-N 2.87Å; S466-G469 VanDerWaalsContact OG-C 3.32Å; S466-G469 PolarHBondContact OG-N 3.05Å; S466-G469 PolarHBondContact OG-O 2.75Å
467M97.1Very high94.2Very high93 Ų9349.8 Ų49.846%0.45828%0.281SS..THydrogen-bonded Turntrans-71.9-21.4176-67.6-61.7-6000113N417 W460 G469N417-M467 WeakPolarHBondContact OD1-CG 3.21Å; N417-M467 PolarHBondContact OD1-N 2.56Å; W460-M467 HydrophobicContact CD2-CB 3.97Å; W460-M467 HydrophobicContact CD2-CG 3.81Å; W460-M467 HydrophobicContact CE3-CB 3.76Å; W460-M467 HydrophobicContact CE3-CG 4Å; W460-M467 HydrophobicContact CG-CG 4.35Å; W460-M467 HydrophobicContact CH2-CB 3.42Å; W460-M467 VanDerWaalsContact CH2-CB 3.42Å; W460-M467 HydrophobicContact CH2-CG 4.3Å; W460-M467 HydrophobicContact CZ2-CB 3.62Å; W460-M467 HydrophobicContact CZ2-CE 4.2Å; W460-M467 HydrophobicContact CZ2-CG 4.1Å; W460-M467 HydrophobicContact CZ3-CB 3.48Å; W460-M467 VanDerWaalsContact CZ3-CB 3.48Å; W460-M467 HydrophobicContact CZ3-CG 4.24Å; M467-G469 VanDerWaalsContact C-N 3.3Å
468L97.2Very high94.3Very high1 Ų151.3 Ų51.31%0.00529%0.289CS..THydrogen-bonded Turntrans-85.9-2.6174.1-59.2-173000112.5V406 V420 A436 Y438 E439 I452 W460 S466V406-L468 HydrophobicContact CG1-CD1 4.19Å; V420-L468 HydrophobicContact CG1-CD1 3.96Å; V420-L468 HydrophobicContact CG1-CG 4.37Å; V420-L468 HydrophobicContact CG2-CD1 3.92Å; V420-L468 HydrophobicContact CG2-CG 4.47Å; A436-L468 HydrophobicContact CB-CD2 3.73Å; Y438-L468 CarbonylContact C-O 3.54Å; Y438-L468 WeakPolarHBondContact CA-O 3.47Å; Y438-L468 WeakPolarHBondContact CD1-O 3.49Å; Y438-L468 HydrophobicContact CE1-CD2 4.14Å; E439-L468 PolarHBondContact N-O 2.96Å; I452-L468 HydrophobicContact CD1-CD2 4.45Å; W460-L468 HydrophobicContact CH2-CD2 3.87Å; W460-L468 HydrophobicContact CZ3-CD2 4Å; W460-L468 HydrophobicContact CZ3-CG 4.31Å; S466-L468 VanDerWaalsContact C-N 3.26Å; S466-L468 PolarHBondContact O-N 2.9Å
469G96.7Very high94.7Very high14 Ų1450.5 Ų50.514%0.14428%0.281CS..  trans69.3166.2-16200000111.4E439 S466 M467E439-G469 WeakPolarHBondContact OE1-CA 3.27Å; S466-G469 PolarHBondContact O-N 2.87Å; S466-G469 VanDerWaalsContact OG-C 3.32Å; S466-G469 PolarHBondContact OG-N 3.05Å; S466-G469 PolarHBondContact OG-O 2.75Å; M467-G469 VanDerWaalsContact C-N 3.3Å
470T96.2Very high95.1Very high25 Ų2554.8 Ų54.815%0.15329%0.29CS..  trans-162140.6177.9-177.30000110.1N408 I409 G410 P412N408-T470 PolarHBondContact O-OG1 3.18Å; I409-T470 VanDerWaalsContact C-OG1 3.25Å; I409-T470 WeakPolarHBondContact CA-OG1 3.32Å; I409-T470 PolarHBondContact N-OG1 2.93Å; G410-T470 PolarHBondContact N-OG1 3.47Å; G410-T470 WeakPolarHBondContact O-CG2 3.43Å; G410-T470 PolarHBondContact O-OG1 2.87Å; P412-T470 HydrophobicContact CB-CG2 3.93Å; P412-T470 HydrophobicContact CG-CG2 4.4Å
471K95.8Very high95.3Very high78 Ų7859.5 Ų59.534%0.33931%0.311SS..BIsolated β-bridgetrans-136159.9179.2-68.3-175.5179.8172.40111.1G410 E439 D442 T473G410-K471 PolarHBondContact N-O 3.38Å; E439-K471 HydrophobicContact CB-CD 4.39Å; E439-K471 WeakPolarHBondContact OE2-CE 3.48Å; E439-K471 IonicContact OE2-NZ 2.98Å; D442-K471 HydrophobicContact CB-CD 4.27Å; D442-K471 WeakPolarHBondContact OD2-CD 3.37Å; D442-K471 IonicContact OD2-NZ 3.85Å; K471-T473 VanDerWaalsContact C-N 3.33Å
472R96.1Very high95.5Very high143 Ų14359.5 Ų59.554%0.5431%0.311SS..  trans-89.95.1177.5-63.3-174.5-176.6-151.85.9113.7E501R472-E501 HydrophobicContact CB-CG 4.01Å; R472-E501 HydrophobicContact CG-CG 4.43Å
473T96.4Very high95.8Very high50 Ų5058.8 Ų58.831%0.30730%0.303SS..  trans-63.3140.9-180-45.80000110.2F441 D442 K471 L478F441-T473 VanDerWaalsContact CD2-O 3.31Å; F441-T473 WeakPolarHBondContact CD2-O 3.48Å; D442-T473 VanDerWaalsContact OD2-CB 3.28Å; D442-T473 WeakPolarHBondContact OD2-CB 3.48Å; D442-T473 PolarHBondContact OD2-OG1 3.1Å; K471-T473 VanDerWaalsContact C-N 3.33Å; T473-L478 HydrophobicContact CG2-CD1 4.08Å
474L97.2Very high96Very high62 Ų6258.3 Ų58.333%0.32531%0.305SS..  trans-99.6152.4175.8-66.9175.4000110.6G476 E501 V504L474-G476 VanDerWaalsContact C-N 3.33Å; L474-G476 PolarHBondContact O-N 3.27Å; L474-E501 HydrophobicContact CD2-CB 4.22Å; L474-E501 HydrophobicContact CD2-CG 4.44Å; L474-V504 HydrophobicContact CD1-CG1 3.97Å; L474-V504 HydrophobicContact CD2-CB 4.09Å; L474-V504 HydrophobicContact CD2-CG1 3.97Å
475P95.4Very high96.2Very high0 Ų057.9 Ų57.90%030%0.296CS..SBendtrans-72.8-17.9-173.329.3-34.9000114.4F441 K477 L478 L479 I482 E508 L509F441-P475 HydrophobicContact CD1-CB 3.97Å; F441-P475 HydrophobicContact CD1-CG 4.42Å; F441-P475 HydrophobicContact CD2-CB 4.43Å; F441-P475 HydrophobicContact CD2-CG 4.39Å; F441-P475 HydrophobicContact CE1-CB 4.27Å; F441-P475 HydrophobicContact CE1-CG 4.3Å; F441-P475 HydrophobicContact CE2-CG 4.25Å; F441-P475 HydrophobicContact CG-CB 4.07Å; F441-P475 HydrophobicContact CG-CG 4.48Å; F441-P475 HydrophobicContact CZ-CG 4.2Å; P475-K477 PolarHBondContact O-N 3.29Å; P475-K477 VanDerWaalsContact O-N 3.17Å; P475-L478 CarbonylContact O-C 3.44Å; P475-L478 VanDerWaalsContact O-CA 3.32Å; P475-L478 WeakPolarHBondContact O-CA 3.36Å; P475-L478 WeakPolarHBondContact O-CB 3.49Å; P475-L478 PolarHBondContact O-N 3Å; P475-L479 HydrophobicContact CB-CD2 4.16Å; P475-L479 WeakPolarHBondContact O-CG 3.42Å; P475-L479 PolarHBondContact O-N 2.82Å; P475-I482 HydrophobicContact CB-CD1 3.56Å; P475-E508 WeakPolarHBondContact CD-OE2 3.24Å; P475-E508 HydrophobicContact CG-CB 3.85Å; P475-E508 WeakPolarHBondContact CG-OE2 3.46Å; P475-L509 HydrophobicContact CB-CD2 4.03Å; P475-L509 HydrophobicContact CG-CD2 4.19Å; P475-L509 HydrophobicContact CG-CG 4.21Å
476G92.5Very high96.3Very high37 Ų3756.6 Ų56.638%0.38128%0.282SS..G310 helixtrans-47.9-47.9-169.400000116.5L474 L478 E508L474-G476 VanDerWaalsContact C-N 3.33Å; L474-G476 PolarHBondContact O-N 3.27Å; G476-L478 VanDerWaalsContact C-N 3.25Å; G476-L478 PolarHBondContact O-N 3.15Å; G476-E508 WeakPolarHBondContact CA-OE2 3.19Å; G476-E508 PolarHBondContact N-OE2 3.02Å
477K91.9Very high96.3Very high212 Ų21258 Ų5892%0.92230%0.295SS*.G310 helixtrans-78.9-8.4177.9-64.7-175.8-177.8179.70114P475P475-K477 PolarHBondContact O-N 3.29Å; P475-K477 VanDerWaalsContact O-N 3.17Å
478L95.4Very high96.3Very high32 Ų3260.9 Ų60.917%0.16831%0.305CS..G310 helixtrans-112.9-0.7-171.9-59.4176.5000112.3A445 T473 P475 G476 E480 K481 I482A445-L478 HydrophobicContact CB-CB 3.89Å; A445-L478 HydrophobicContact CB-CD1 4.09Å; A445-L478 HydrophobicContact CB-CD2 4.14Å; A445-L478 HydrophobicContact CB-CG 4.27Å; T473-L478 HydrophobicContact CG2-CD1 4.08Å; P475-L478 CarbonylContact O-C 3.44Å; P475-L478 VanDerWaalsContact O-CA 3.32Å; P475-L478 WeakPolarHBondContact O-CA 3.36Å; P475-L478 WeakPolarHBondContact O-CB 3.49Å; P475-L478 PolarHBondContact O-N 3Å; G476-L478 VanDerWaalsContact C-N 3.25Å; G476-L478 PolarHBondContact O-N 3.15Å; L478-E480 PolarHBondContact O-N 2.96Å; L478-K481 PolarHBondContact O-N 3.01Å; L478-I482 HydrophobicContact CB-CD1 3.81Å; L478-I482 HydrophobicContact CB-CG1 4.2Å; L478-I482 WeakPolarHBondContact O-CG1 3.05Å; L478-I482 PolarHBondContact O-N 3.39Å
479L96.3Very high96.3Very high24 Ų2463 Ų6313%0.12632%0.315CS..Hα-helixtrans-52.2-49.6-171.6-72.3172.6000112.8P475 K481 I482 T483 L509 A512 Y516 L519P475-L479 HydrophobicContact CB-CD2 4.16Å; P475-L479 WeakPolarHBondContact O-CG 3.42Å; P475-L479 PolarHBondContact O-N 2.82Å; L479-K481 VanDerWaalsContact C-N 3.32Å; L479-K481 PolarHBondContact O-N 2.79Å; L479-I482 WeakPolarHBondContact O-CB 3.31Å; L479-I482 PolarHBondContact O-N 2.75Å; L479-I482 VanDerWaalsContact O-N 3.15Å; L479-T483 VanDerWaalsContact O-CG2 3.28Å; L479-T483 WeakPolarHBondContact O-CG2 2.95Å; L479-T483 PolarHBondContact O-N 3.31Å; L479-T483 PolarHBondContact O-OG1 3.47Å; L479-L509 HydrophobicContact CD2-CD2 4.02Å; L479-A512 HydrophobicContact CD1-CB 3.76Å; L479-A512 HydrophobicContact CD2-CB 3.86Å; L479-A512 HydrophobicContact CG-CB 4.42Å; L479-Y516 HydrophobicContact CB-CE2 4.06Å; L479-Y516 HydrophobicContact CD1-CE2 4.48Å; L479-L519 HydrophobicContact CD2-CD1 4.19Å
480E96.5Very high96.2Very high131 Ų13166.7 Ų66.761%0.61233%0.331SS*.Hα-helixtrans-58-42.4178.7-174.5-175.9-172.100112.5L478 T483 L484L478-E480 PolarHBondContact O-N 2.96Å; E480-T483 PolarHBondContact O-OG1 2.8Å; E480-L484 HydrophobicContact CG-CD1 4.49Å; E480-L484 WeakPolarHBondContact O-CD1 3.25Å; E480-L484 WeakPolarHBondContact O-CG 3.34Å; E480-L484 PolarHBondContact O-N 3.1Å; E480-L484 VanDerWaalsContact O-N 3.15Å
481K97.5Very high96.3Very high121 Ų12165.7 Ų65.753%0.52633%0.325SS..Hα-helixtrans-71.7-36.7178-65.3-177.8-178.6178.10111.9A445 L478 L479 N485A445-K481 HydrophobicContact CB-CB 3.91Å; L478-K481 PolarHBondContact O-N 3.01Å; L479-K481 VanDerWaalsContact C-N 3.32Å; L479-K481 PolarHBondContact O-N 2.79Å; K481-N485 PolarHBondContact O-N 2.88Å; K481-N485 VanDerWaalsContact O-N 3.12Å; K481-N485 PolarHBondContact O-ND2 3.44Å
482I97.8Very high96.4Very high0 Ų063.3 Ų63.30%032%0.315CS..Hα-helixtrans-63.1-46.4176.9-72.7169.6000110F441 L444 A445 P475 L478 L479 N485 I486 L519F441-I482 HydrophobicContact CB-CD1 4.32Å; F441-I482 HydrophobicContact CD1-CD1 4.25Å; L444-I482 HydrophobicContact CB-CG1 4.36Å; L444-I482 HydrophobicContact CD2-CG1 4.3Å; L444-I482 HydrophobicContact CD2-CG2 3.65Å; L444-I482 HydrophobicContact CG-CB 4.45Å; L444-I482 HydrophobicContact CG-CG1 4.12Å; L444-I482 HydrophobicContact CG-CG2 3.99Å; A445-I482 HydrophobicContact CB-CG1 3.96Å; P475-I482 HydrophobicContact CB-CD1 3.56Å; L478-I482 HydrophobicContact CB-CD1 3.81Å; L478-I482 HydrophobicContact CB-CG1 4.2Å; L478-I482 WeakPolarHBondContact O-CG1 3.05Å; L478-I482 PolarHBondContact O-N 3.39Å; L479-I482 WeakPolarHBondContact O-CB 3.31Å; L479-I482 PolarHBondContact O-N 2.75Å; L479-I482 VanDerWaalsContact O-N 3.15Å; I482-N485 PolarHBondContact O-N 2.81Å; I482-I486 HydrophobicContact CG2-CD1 3.71Å; I482-I486 HydrophobicContact CG2-CG1 4.38Å; I482-I486 WeakPolarHBondContact O-CG1 3.47Å; I482-I486 PolarHBondContact O-N 3.37Å; I482-L519 HydrophobicContact CG2-CD2 4.44Å
483T97.3Very high96.4Very high7 Ų756.5 Ų56.54%0.04329%0.289CS..Hα-helixtrans-65.7-42.6-179.255.50000111.5L479 E480 N485 I486 A487 Y516 E518 L519L479-T483 VanDerWaalsContact O-CG2 3.28Å; L479-T483 WeakPolarHBondContact O-CG2 2.95Å; L479-T483 PolarHBondContact O-N 3.31Å; L479-T483 PolarHBondContact O-OG1 3.47Å; E480-T483 PolarHBondContact O-OG1 2.8Å; T483-N485 VanDerWaalsContact C-N 3.29Å; T483-N485 PolarHBondContact O-N 3.48Å; T483-I486 PolarHBondContact O-N 3.2Å; T483-A487 PolarHBondContact O-N 2.86Å; T483-Y516 HydrophobicContact CG2-CD1 3.82Å; T483-Y516 HydrophobicContact CG2-CD2 4.31Å; T483-Y516 HydrophobicContact CG2-CG 3.65Å; T483-E518 HydrophobicContact CG2-CB 4.37Å; T483-L519 HydrophobicContact CG2-CD1 4.06Å; T483-L519 HydrophobicContact CG2-CD2 3.8Å; T483-L519 HydrophobicContact CG2-CG 3.72Å
484L97.3Very high96.5Very high110 Ų11054.2 Ų54.258%0.57628%0.275SS*.Hα-helixtrans-55.7-43.1172.8-73.3171.2000112.1E480 K488E480-L484 HydrophobicContact CG-CD1 4.49Å; E480-L484 WeakPolarHBondContact O-CD1 3.25Å; E480-L484 WeakPolarHBondContact O-CG 3.34Å; E480-L484 PolarHBondContact O-N 3.1Å; E480-L484 VanDerWaalsContact O-N 3.15Å; L484-K488 VanDerWaalsContact O-CB 3.23Å; L484-K488 WeakPolarHBondContact O-CB 3.14Å; L484-K488 PolarHBondContact O-N 3.3Å
485N98.1Very high96.6Very high17 Ų1751.3 Ų51.39%0.09126%0.26CS..Hα-helixtrans-75.2-35.9178.1-74.2-42.4000113L444 A445 G447 I449 K481 I482 T483 A487 K488 F489L444-N485 WeakPolarHBondContact O-CB 3.14Å; L444-N485 PolarHBondContact O-ND2 2.93Å; A445-N485 VanDerWaalsContact C-ND2 3.29Å; A445-N485 PolarHBondContact O-ND2 2.86Å; G447-N485 PolarHBondContact N-ND2 2.78Å; I449-N485 HydrophobicContact CD1-CB 4.32Å; K481-N485 PolarHBondContact O-N 2.88Å; K481-N485 VanDerWaalsContact O-N 3.12Å; K481-N485 PolarHBondContact O-ND2 3.44Å; I482-N485 PolarHBondContact O-N 2.81Å; T483-N485 VanDerWaalsContact C-N 3.29Å; T483-N485 PolarHBondContact O-N 3.48Å; N485-A487 VanDerWaalsContact C-N 3.27Å; N485-A487 PolarHBondContact O-N 3.23Å; N485-K488 PolarHBondContact O-N 3.28Å; N485-F489 HydrophobicContact CB-CD2 4.32Å; N485-F489 VanDerWaalsContact O-CD2 3.31Å; N485-F489 WeakPolarHBondContact O-CD2 3.49Å; N485-F489 PolarHBondContact O-N 3.2Å
486I97.3Very high96.8Very high4 Ų451.3 Ų51.32%0.02126%0.26CS..Hα-helixtrans-57.5-44.8172.5-74.9170000110.2I482 T483 N490 I491 E518 L519 I521I482-I486 HydrophobicContact CG2-CD1 3.71Å; I482-I486 HydrophobicContact CG2-CG1 4.38Å; I482-I486 WeakPolarHBondContact O-CG1 3.47Å; I482-I486 PolarHBondContact O-N 3.37Å; T483-I486 PolarHBondContact O-N 3.2Å; I486-N490 CarbonylContact O-C 3.56Å; I486-N490 WeakPolarHBondContact O-CA 3.4Å; I486-N490 PolarHBondContact O-N 3.47Å; I486-I491 HydrophobicContact CG1-CD1 4.42Å; I486-I491 HydrophobicContact CG2-CB 4.22Å; I486-I491 PolarHBondContact O-N 2.85Å; I486-E518 HydrophobicContact CG2-CB 4.26Å; I486-E518 WeakPolarHBondContact CG2-O 3.28Å; I486-L519 HydrophobicContact CD1-CD2 3.57Å; I486-I521 HydrophobicContact CD1-CD1 4.43Å; I486-I521 HydrophobicContact CG2-CD1 4.22Å
487A96.4Very high97.1Very high56 Ų5649.5 Ų49.546%0.46324%0.241SC..Hα-helixtrans-65.7-48.6174.300000112.3T483 N485 F489 N490 E518T483-A487 PolarHBondContact O-N 2.86Å; N485-A487 VanDerWaalsContact C-N 3.27Å; N485-A487 PolarHBondContact O-N 3.23Å; A487-F489 VanDerWaalsContact C-N 3.33Å; A487-F489 PolarHBondContact O-N 2.8Å; A487-N490 PolarHBondContact O-N 2.99Å; A487-E518 HydrophobicContact CB-CG 4.09Å
488K97.1Very high97.4Very high155 Ų15539.4 Ų39.467%0.67420%0.197SC*.Hα-helixtrans-57.2-42.2-178.6179.5-176.9174.2-1750113.1L484 N485 N490L484-K488 VanDerWaalsContact O-CB 3.23Å; L484-K488 WeakPolarHBondContact O-CB 3.14Å; L484-K488 PolarHBondContact O-N 3.3Å; N485-K488 PolarHBondContact O-N 3.28Å; K488-N490 VanDerWaalsContact C-N 3.33Å
489F96.5Very high97.5Very high46 Ų4638.1 Ų38.120%0.20219%0.191CC..THydrogen-bonded Turntrans-93.13.2179.5-69.8-92.9000112.6N403 I449 N485 A487 I491N403-F489 PolarHBondContact ND2-O 2.93Å; I449-F489 HydrophobicContact CB-CD1 4.1Å; I449-F489 HydrophobicContact CB-CD2 4.41Å; I449-F489 HydrophobicContact CB-CE1 3.9Å; I449-F489 HydrophobicContact CB-CE2 4.23Å; I449-F489 HydrophobicContact CB-CG 4.35Å; I449-F489 HydrophobicContact CB-CZ 3.96Å; I449-F489 HydrophobicContact CD1-CB 4.49Å; I449-F489 HydrophobicContact CD1-CD2 3.65Å; I449-F489 HydrophobicContact CD1-CE2 3.91Å; I449-F489 HydrophobicContact CD1-CG 4.03Å; I449-F489 HydrophobicContact CG1-CD2 4.41Å; I449-F489 HydrophobicContact CG1-CE2 4.25Å; I449-F489 HydrophobicContact CG1-CZ 4.43Å; I449-F489 HydrophobicContact CG2-CD1 4.16Å; I449-F489 HydrophobicContact CG2-CE1 4.4Å; I449-F489 HydrophobicContact CG2-CG 4.4Å; N485-F489 HydrophobicContact CB-CD2 4.32Å; N485-F489 VanDerWaalsContact O-CD2 3.31Å; N485-F489 WeakPolarHBondContact O-CD2 3.49Å; N485-F489 PolarHBondContact O-N 3.2Å; A487-F489 VanDerWaalsContact C-N 3.33Å; A487-F489 PolarHBondContact O-N 2.8Å; F489-I491 VanDerWaalsContact C-N 3.3Å; F489-I491 HydrophobicContact CB-CD1 4.15Å; F489-I491 HydrophobicContact CB-CG1 3.94Å; F489-I491 PolarHBondContact O-N 2.92Å
490N95.8Very high97.5Very high90 Ų9037.3 Ų37.348%0.48119%0.187SC..THydrogen-bonded Turntrans49.349.2-178.4-166.335.7000112.1N403 I486 A487 K488 H492N403-N490 VanDerWaalsContact CB-O 3.28Å; N403-N490 WeakPolarHBondContact CB-O 2.99Å; N403-N490 PolarHBondContact ND2-O 2.87Å; I486-N490 CarbonylContact O-C 3.56Å; I486-N490 WeakPolarHBondContact O-CA 3.4Å; I486-N490 PolarHBondContact O-N 3.47Å; A487-N490 PolarHBondContact O-N 2.99Å; K488-N490 VanDerWaalsContact C-N 3.33Å; N490-H492 PolarHBondContact ND2-CE1 2.6Å; N490-H492 PolarHBondContact ND2-NE2 2.78Å; N490-H492 PolarHBondContact O-CE1 3.17Å; N490-H492 PolarHBondContact O-ND1 3.3Å; N490-H492 PolarHBondContact OD1-NE2 3.18Å
491I97.3Very high97.6Very high5 Ų531.8 Ų31.83%0.02616%0.161CC..EExtended strand (participates in β ladder)trans-77.2125-177.4-63.4172000109A405 L444 I449 I486 F489 A493 L494 I521A405-I491 HydrophobicContact CB-CD1 3.9Å; A405-I491 HydrophobicContact CB-CG1 4.31Å; A405-I491 HydrophobicContact CB-CG2 3.93Å; L444-I491 HydrophobicContact CD1-CD1 4.36Å; I449-I491 HydrophobicContact CD1-CD1 3.86Å; I486-I491 HydrophobicContact CG1-CD1 4.42Å; I486-I491 HydrophobicContact CG2-CB 4.22Å; I486-I491 PolarHBondContact O-N 2.85Å; F489-I491 VanDerWaalsContact C-N 3.3Å; F489-I491 HydrophobicContact CB-CD1 4.15Å; F489-I491 HydrophobicContact CB-CG1 3.94Å; F489-I491 PolarHBondContact O-N 2.92Å; I491-A493 WeakPolarHBondContact CG2-O 3.23Å; I491-L494 HydrophobicContact CG2-CD2 3.68Å; I491-L494 HydrophobicContact CG2-CG 4.47Å; I491-I521 HydrophobicContact CG2-CD1 4.21Å
492H97.3Very high97.6Very high28 Ų2826 Ų2613%0.1314%0.136CC..EExtended strand (participates in β ladder)trans-106.4-14.5-175.7-54.595.1000113.6N401 I402 N403 N490 I521 P522 L692 I701N401-H492 PolarHBondContact O-CE1 2.58Å; I402-H492 HydrophobicContact CG2-CB 4.26Å; N403-H492 PolarHBondContact N-ND1 3.18Å; N403-H492 PolarHBondContact O-N 2.79Å; N490-H492 PolarHBondContact ND2-CE1 2.6Å; N490-H492 PolarHBondContact ND2-NE2 2.78Å; N490-H492 PolarHBondContact O-CE1 3.17Å; N490-H492 PolarHBondContact O-ND1 3.3Å; N490-H492 PolarHBondContact OD1-NE2 3.18Å; H492-I521 WeakPolarHBondContact O-CB 3.49Å; H492-P522 WeakPolarHBondContact O-CD 3.19Å; H492-L692 HydrophobicContact CB-CD2 4.18Å; H492-L692 WeakPolarHBondContact O-CD2 3.47Å; H492-I701 HydrophobicContact CB-CD1 3.67Å
493A97.9Very high97.6Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-156155.4174.400000111.7V404 A405 I491 P522 L688 L692V404-A493 HydrophobicContact CG1-CB 4.15Å; V404-A493 HydrophobicContact CG2-CB 4.19Å; A405-A493 PolarHBondContact N-O 2.91Å; I491-A493 WeakPolarHBondContact CG2-O 3.23Å; A493-P522 WeakPolarHBondContact CA-O 3.3Å; A493-P522 HydrophobicContact CB-CG 4.21Å; A493-P522 WeakPolarHBondContact CB-O 3.3Å; A493-L688 HydrophobicContact CB-CD1 4.18Å; A493-L688 HydrophobicContact CB-CD2 4.11Å; A493-L692 HydrophobicContact CB-CD1 4.14Å; A493-L692 HydrophobicContact CB-CD2 4.24Å; A493-L692 HydrophobicContact CB-CG 4.5Å
494L98.4Very high97.7Very high2 Ų226.9 Ų26.91%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-122.4137.3177-57.2173000112.3A405 M407 I491 I496 L509 I521 P522 F523 V524A405-L494 HydrophobicContact CB-CD2 3.87Å; A405-L494 CarbonylContact O-C 3.57Å; A405-L494 WeakPolarHBondContact O-CA 3.39Å; M407-L494 HydrophobicContact CE-CB 4.48Å; M407-L494 HydrophobicContact CE-CD1 3.98Å; M407-L494 HydrophobicContact CE-CD2 4.35Å; I491-L494 HydrophobicContact CG2-CD2 3.68Å; I491-L494 HydrophobicContact CG2-CG 4.47Å; L494-I496 HydrophobicContact CB-CG1 4.28Å; L494-L509 HydrophobicContact CD1-CD1 4.19Å; L494-I521 HydrophobicContact CD1-CD1 4.16Å; L494-I521 HydrophobicContact CG-CD1 3.87Å; L494-P522 PolarHBondContact N-O 3.45Å; L494-F523 HydrophobicContact CB-CB 3.69Å; L494-F523 WeakPolarHBondContact O-CA 3.33Å; L494-F523 WeakPolarHBondContact O-CB 3.48Å; L494-V524 PolarHBondContact O-N 3.05Å
495V98.7Very high97.7Very high0 Ų021.7 Ų21.70%011%0.114CC..EExtended strand (participates in β ladder)trans-110.6112.9164.2-178.60000107.9V404 A405 V406 M407 I497 V524 I526 I685 L688V404-V495 HydrophobicContact CG1-CG2 4.3Å; A405-V495 PolarHBondContact O-N 3.44Å; V406-V495 WeakPolarHBondContact CA-O 3.43Å; V406-V495 HydrophobicContact CB-CB 4.32Å; V406-V495 HydrophobicContact CG2-CB 4.1Å; V406-V495 HydrophobicContact CG2-CG1 4.17Å; M407-V495 PolarHBondContact N-O 2.96Å; V495-I497 HydrophobicContact CG1-CD1 4.33Å; V495-I497 HydrophobicContact CG1-CG1 4.07Å; V495-V524 HydrophobicContact CB-CG1 4.45Å; V495-V524 HydrophobicContact CG1-CG1 4.34Å; V495-V524 HydrophobicContact CG2-CG1 4.08Å; V495-I526 HydrophobicContact CG1-CD1 3.92Å; V495-I526 HydrophobicContact CG1-CG1 4.48Å; V495-I685 HydrophobicContact CG2-CD1 3.9Å; V495-L688 HydrophobicContact CG2-CD1 3.46Å; V495-L688 VanDerWaalsContact CG2-CD1 3.46Å
496I98.7Very high97.6Very high0 Ų020.9 Ų20.90%011%0.11CC..EExtended strand (participates in β ladder)trans-108.1114.5-177.2-44.9-175.1000108.2M407 I409 F441 L494 A502 L509 F523 V524 V525 I526M407-I496 HydrophobicContact CE-CD1 3.8Å; M407-I496 HydrophobicContact CE-CG1 3.67Å; M407-I496 HydrophobicContact CE-CG2 4.48Å; M407-I496 HydrophobicContact CG-CG2 4.3Å; I409-I496 HydrophobicContact CB-CG2 4.3Å; I409-I496 HydrophobicContact CG1-CG2 3.55Å; F441-I496 HydrophobicContact CZ-CD1 4.42Å; L494-I496 HydrophobicContact CB-CG1 4.28Å; I496-A502 HydrophobicContact CG2-CB 3.91Å; I496-L509 HydrophobicContact CD1-CD1 4.09Å; I496-F523 HydrophobicContact CD1-CD2 4.14Å; I496-V524 PolarHBondContact N-O 2.76Å; I496-V525 HydrophobicContact CB-CG2 4.27Å; I496-V525 HydrophobicContact CD1-CG2 4.46Å; I496-V525 CarbonylContact O-C 3.6Å; I496-V525 VanDerWaalsContact O-CA 3.25Å; I496-V525 WeakPolarHBondContact O-CA 3.3Å; I496-I526 PolarHBondContact O-N 3.16Å
497I98.8Very high97.6Very high0 Ų021.1 Ų21.10%011%0.111CC..EExtended strand (participates in β ladder)trans-109118.6-177.3-57.4166.8000108.2V406 M407 N408 I409 M416 A419 V420 V495 I526 A528V406-I497 HydrophobicContact CG2-CD1 3.85Å; M407-I497 PolarHBondContact O-N 3.39Å; N408-I497 CarbonylContact C-O 3.52Å; N408-I497 VanDerWaalsContact CA-O 3.23Å; N408-I497 WeakPolarHBondContact CA-O 3.12Å; N408-I497 WeakPolarHBondContact OD1-CB 3.18Å; I409-I497 PolarHBondContact N-O 3.29Å; M416-I497 HydrophobicContact CB-CG2 4.49Å; M416-I497 HydrophobicContact CG-CG2 4.19Å; A419-I497 HydrophobicContact CB-CD1 3.86Å; A419-I497 HydrophobicContact CB-CG2 4.44Å; V420-I497 HydrophobicContact CB-CD1 4.42Å; V420-I497 HydrophobicContact CG2-CD1 3.58Å; V495-I497 HydrophobicContact CG1-CD1 4.33Å; V495-I497 HydrophobicContact CG1-CG1 4.07Å; I497-I526 HydrophobicContact CG1-CB 4.14Å; I497-I526 HydrophobicContact CG1-CD1 4.12Å; I497-I526 HydrophobicContact CG1-CG1 4.45Å; I497-A528 HydrophobicContact CG2-CB 3.69Å
498G98.2Very high97.7Very high0 Ų020.6 Ų20.60%010%0.099CC..EExtended strand (participates in β ladder)trans170.6-176.1-175.900000117.6I409 I526 P527 A528I409-G498 WeakPolarHBondContact O-CA 3.24Å; G498-I526 PolarHBondContact N-O 3.31Å; G498-P527 CarbonylContact O-C 3.59Å; G498-P527 WeakPolarHBondContact O-CA 3.35Å; G498-A528 CarbonylContact C-O 3.52Å; G498-A528 PolarHBondContact O-N 3.06Å
499G97.5Very high97.6Very high4 Ų413.3 Ų13.34%0.0417%0.068CC..SBendtrans-84.2-150.1-175.700000113.1I409 E501 A502 Y503 A528 V534I409-G499 PolarHBondContact O-N 2.94Å; G499-E501 VanDerWaalsContact C-N 3.26Å; G499-E501 PolarHBondContact O-N 2.99Å; G499-A502 VanDerWaalsContact O-CB 3.27Å; G499-A502 WeakPolarHBondContact O-CB 3.35Å; G499-A502 PolarHBondContact O-N 2.78Å; G499-Y503 PolarHBondContact O-N 3.45Å; G499-A528 WeakPolarHBondContact CA-O 3.24Å; G499-A528 PolarHBondContact N-O 3.37Å; G499-V534 VanDerWaalsContact C-CG2 3.5Å
500F97.9Very high97.6Very high7 Ų712.4 Ų12.43%0.0317%0.065CC..Hα-helixtrans-60.4-34.2-179.7-162.4-94.5000112.8A502 Y503 V504 P535 T731 F733 R736F500-A502 VanDerWaalsContact C-N 3.27Å; F500-A502 PolarHBondContact O-N 3.21Å; F500-Y503 HydrophobicContact CE2-CD1 4.21Å; F500-Y503 HydrophobicContact CZ-CD1 4.38Å; F500-Y503 WeakPolarHBondContact O-CB 3.39Å; F500-Y503 PolarHBondContact O-N 3.4Å; F500-V504 HydrophobicContact CD1-CG2 3.6Å; F500-V504 HydrophobicContact CE1-CG2 3.35Å; F500-V504 HydrophobicContact CZ-CG2 4.15Å; F500-V504 WeakPolarHBondContact O-CG2 3.46Å; F500-V504 PolarHBondContact O-N 2.71Å; F500-P535 HydrophobicContact CE2-CG 4.27Å; F500-T731 HydrophobicContact CE2-CG2 3.73Å; F500-T731 HydrophobicContact CZ-CG2 3.58Å; F500-F733 HydrophobicContact CE1-CD1 4.41Å; F500-F733 HydrophobicContact CZ-CD1 4.16Å; F500-R736 HydrophobicContact CB-CB 4.49Å; F500-R736 HydrophobicContact CD1-CB 3.64Å; F500-R736 HydrophobicContact CD1-CG 3.71Å; F500-R736 HydrophobicContact CD2-CB 4.05Å; F500-R736 HydrophobicContact CE1-CB 3.73Å; F500-R736 HydrophobicContact CE1-CG 3.67Å; F500-R736 HydrophobicContact CE2-CB 4.15Å; F500-R736 HydrophobicContact CG-CB 3.8Å; F500-R736 HydrophobicContact CG-CG 4.38Å; F500-R736 HydrophobicContact CZ-CB 4Å; F500-R736 HydrophobicContact CZ-CG 4.32Å
501E98Very high97.5Very high16 Ų1613.1 Ų13.18%0.0757%0.065CC..Hα-helixtrans-63.1-31173.4-71.983.6175.900113.1I409 R472 L474 G499 G505 R736I409-E501 HydrophobicContact CG2-CB 3.86Å; R472-E501 HydrophobicContact CB-CG 4.01Å; R472-E501 HydrophobicContact CG-CG 4.43Å; L474-E501 HydrophobicContact CD2-CB 4.22Å; L474-E501 HydrophobicContact CD2-CG 4.44Å; G499-E501 VanDerWaalsContact C-N 3.26Å; G499-E501 PolarHBondContact O-N 2.99Å; E501-G505 WeakPolarHBondContact O-CA 3.29Å; E501-G505 PolarHBondContact O-N 2.8Å; E501-R736 IonicContact OE1-CZ 3.93Å; E501-R736 IonicContact OE1-NH1 3.26Å; E501-R736 PolarHBondContact OE1-NH1 2.97Å; E501-R736 IonicContact OE1-NH2 3.54Å; E501-R736 PolarHBondContact OE1-NH2 2.78Å; E501-R736 IonicContact OE2-CZ 2.68Å; E501-R736 IonicContact OE2-NH2 2.84Å; E501-R736 PolarHBondContact OE2-NH2 3.32Å
502A98Very high97.5Very high0 Ų013.1 Ų13.10%07%0.066CC..Hα-helixtrans-68.7-40.5174.300000111.1I409 I496 G499 F500 G506 V525I409-A502 HydrophobicContact CB-CB 3.89Å; I409-A502 HydrophobicContact CG2-CB 4.19Å; I496-A502 HydrophobicContact CG2-CB 3.91Å; G499-A502 VanDerWaalsContact O-CB 3.27Å; G499-A502 WeakPolarHBondContact O-CB 3.35Å; G499-A502 PolarHBondContact O-N 2.78Å; F500-A502 VanDerWaalsContact C-N 3.27Å; F500-A502 PolarHBondContact O-N 3.21Å; A502-G506 PolarHBondContact O-N 2.64Å; A502-V525 HydrophobicContact CB-CG1 3.96Å
503Y98Very high97.4Very high0 Ų012.2 Ų12.20%06%0.061CC..Hα-helixtrans-63.9-52.2175.1170.6-106.9000111.5G499 F500 G505 G506 L507 P535 V711 I724 L727 K728 T731 F733G499-Y503 PolarHBondContact O-N 3.45Å; F500-Y503 HydrophobicContact CE2-CD1 4.21Å; F500-Y503 HydrophobicContact CZ-CD1 4.38Å; F500-Y503 WeakPolarHBondContact O-CB 3.39Å; F500-Y503 PolarHBondContact O-N 3.4Å; Y503-G505 PolarHBondContact O-N 3.33Å; Y503-G506 PolarHBondContact O-N 2.81Å; Y503-L507 HydrophobicContact CD1-CD1 4.41Å; Y503-L507 HydrophobicContact CE1-CD1 3.72Å; Y503-L507 HydrophobicContact CE1-CG 4.48Å; Y503-L507 HydrophobicContact CE2-CD1 4.38Å; Y503-L507 HydrophobicContact CE2-CG 4.4Å; Y503-L507 PolarHBondContact O-N 3.38Å; Y503-P535 HydrophobicContact CD1-CG 4.33Å; Y503-P535 HydrophobicContact CE1-CG 4.12Å; Y503-V711 HydrophobicContact CD2-CG2 3.91Å; Y503-V711 HydrophobicContact CE2-CG2 4.33Å; Y503-I724 HydrophobicContact CD2-CD1 3.89Å; Y503-I724 HydrophobicContact CD2-CG1 3.57Å; Y503-I724 HydrophobicContact CE2-CD1 4.21Å; Y503-I724 HydrophobicContact CE2-CG1 3.41Å; Y503-I724 VanDerWaalsContact CE2-CG1 3.41Å; Y503-I724 VanDerWaalsContact O-CD1 3.31Å; Y503-I724 WeakPolarHBondContact O-CD1 3.49Å; Y503-I724 PolarHBondContact OH-O 3.46Å; Y503-L727 HydrophobicContact CE2-CB 3.89Å; Y503-L727 HydrophobicContact CE2-CD1 4.21Å; Y503-L727 VanDerWaalsContact OH-C 3.26Å; Y503-L727 PolarHBondContact OH-O 2.99Å; Y503-K728 PolarHBondContact OH-N 2.98Å; Y503-T731 HydrophobicContact CE1-CG2 4Å; Y503-T731 PolarHBondContact OH-OG1 3.22Å; Y503-F733 HydrophobicContact CE1-CE1 4.02Å; Y503-F733 HydrophobicContact CE1-CZ 4.25Å
504V97.9Very high97.1Very high25 Ų2520.8 Ų20.815%0.15210%0.101CC..Hα-helixtrans-63.8-42.8178.1176.10000111.2L474 F500 G506 L507 E508 F733L474-V504 HydrophobicContact CD1-CG1 3.97Å; L474-V504 HydrophobicContact CD2-CB 4.09Å; L474-V504 HydrophobicContact CD2-CG1 3.97Å; F500-V504 HydrophobicContact CD1-CG2 3.6Å; F500-V504 HydrophobicContact CE1-CG2 3.35Å; F500-V504 HydrophobicContact CZ-CG2 4.15Å; F500-V504 WeakPolarHBondContact O-CG2 3.46Å; F500-V504 PolarHBondContact O-N 2.71Å; V504-G506 VanDerWaalsContact C-N 3.29Å; V504-G506 PolarHBondContact O-N 3.37Å; V504-L507 WeakPolarHBondContact O-CA 3.32Å; V504-L507 WeakPolarHBondContact O-CB 3.31Å; V504-L507 PolarHBondContact O-N 3.06Å; V504-E508 PolarHBondContact O-N 3.18Å; V504-F733 HydrophobicContact CG2-CD1 4.44Å; V504-F733 HydrophobicContact CG2-CE1 4.43Å
505G97.5Very high96.9Very high0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-60.5-39.8175.600000112.2E501 Y503 L507 E508 L509E501-G505 WeakPolarHBondContact O-CA 3.29Å; E501-G505 PolarHBondContact O-N 2.8Å; Y503-G505 PolarHBondContact O-N 3.33Å; G505-L507 VanDerWaalsContact C-N 3.32Å; G505-L507 PolarHBondContact O-N 2.79Å; G505-E508 PolarHBondContact O-N 2.62Å; G505-L509 WeakPolarHBondContact O-CG 3.27Å; G505-L509 PolarHBondContact O-N 3.22Å
506G97.3Very high96.7Very high0 Ų030.6 Ų30.60%015%0.145CC..Hα-helixtrans-61.8-37.4171.700000113.2A502 Y503 V504 L509 L510 F523A502-G506 PolarHBondContact O-N 2.64Å; Y503-G506 PolarHBondContact O-N 2.81Å; V504-G506 VanDerWaalsContact C-N 3.29Å; V504-G506 PolarHBondContact O-N 3.37Å; G506-L509 PolarHBondContact O-N 2.98Å; G506-L510 WeakPolarHBondContact O-CB 3.45Å; G506-L510 PolarHBondContact O-N 2.85Å; G506-F523 VanDerWaalsContact O-CZ 3.27Å; G506-F523 WeakPolarHBondContact O-CZ 3.44Å
507L96.9Very high96.5Very high9 Ų934.7 Ų34.75%0.04716%0.164CC..Hα-helixtrans-65-43.1174.6-72.7178.9000112.3Y503 V504 G505 L510 Q511 I724 K728 F733Y503-L507 HydrophobicContact CD1-CD1 4.41Å; Y503-L507 HydrophobicContact CE1-CD1 3.72Å; Y503-L507 HydrophobicContact CE1-CG 4.48Å; Y503-L507 HydrophobicContact CE2-CD1 4.38Å; Y503-L507 HydrophobicContact CE2-CG 4.4Å; Y503-L507 PolarHBondContact O-N 3.38Å; V504-L507 WeakPolarHBondContact O-CA 3.32Å; V504-L507 WeakPolarHBondContact O-CB 3.31Å; V504-L507 PolarHBondContact O-N 3.06Å; G505-L507 VanDerWaalsContact C-N 3.32Å; G505-L507 PolarHBondContact O-N 2.79Å; L507-L510 PolarHBondContact O-N 2.81Å; L507-Q511 WeakPolarHBondContact O-CG 3.44Å; L507-Q511 PolarHBondContact O-N 3.19Å; L507-I724 HydrophobicContact CD2-CB 4.28Å; L507-I724 HydrophobicContact CD2-CD1 4.38Å; L507-I724 HydrophobicContact CD2-CG1 3.79Å; L507-I724 HydrophobicContact CD2-CG2 3.98Å; L507-I724 WeakPolarHBondContact CD2-O 3.28Å; L507-I724 HydrophobicContact CG-CD1 4.31Å; L507-I724 HydrophobicContact CG-CG1 4.1Å; L507-K728 HydrophobicContact CD1-CG 4.07Å; L507-K728 HydrophobicContact CD2-CD 4.34Å; L507-K728 HydrophobicContact CD2-CG 4.07Å; L507-F733 HydrophobicContact CD1-CE1 3.74Å; L507-F733 HydrophobicContact CD1-CZ 3.83Å
508E97.1Very high96.3Very high46 Ų4638.4 Ų38.422%0.21518%0.181CC..Hα-helixtrans-63.3-43.3176.8-72.3-178.2-17100111.2P475 G476 V504 G505 L510 Q511 A512P475-E508 WeakPolarHBondContact CD-OE2 3.24Å; P475-E508 HydrophobicContact CG-CB 3.85Å; P475-E508 WeakPolarHBondContact CG-OE2 3.46Å; G476-E508 WeakPolarHBondContact CA-OE2 3.19Å; G476-E508 PolarHBondContact N-OE2 3.02Å; V504-E508 PolarHBondContact O-N 3.18Å; G505-E508 PolarHBondContact O-N 2.62Å; E508-L510 VanDerWaalsContact C-N 3.33Å; E508-L510 PolarHBondContact O-N 3.45Å; E508-Q511 PolarHBondContact O-N 3.46Å; E508-A512 VanDerWaalsContact O-CB 3.24Å; E508-A512 WeakPolarHBondContact O-CB 3.37Å; E508-A512 PolarHBondContact O-N 3.45Å
509L96.9Very high96.2Very high2 Ų238.7 Ų38.71%0.0118%0.183CC..Hα-helixtrans-61.4-40.7173.8-68.4-178.8000112.1F441 P475 L479 L494 I496 G505 G506 A512 R513 L519 F523F441-L509 HydrophobicContact CE1-CD1 3.95Å; F441-L509 HydrophobicContact CZ-CD1 4.42Å; P475-L509 HydrophobicContact CB-CD2 4.03Å; P475-L509 HydrophobicContact CG-CD2 4.19Å; P475-L509 HydrophobicContact CG-CG 4.21Å; L479-L509 HydrophobicContact CD2-CD2 4.02Å; L494-L509 HydrophobicContact CD1-CD1 4.19Å; I496-L509 HydrophobicContact CD1-CD1 4.09Å; G505-L509 WeakPolarHBondContact O-CG 3.27Å; G505-L509 PolarHBondContact O-N 3.22Å; G506-L509 PolarHBondContact O-N 2.98Å; L509-A512 PolarHBondContact O-N 2.95Å; L509-R513 PolarHBondContact O-N 3.36Å; L509-L519 HydrophobicContact CD2-CD1 4.22Å; L509-L519 HydrophobicContact CD2-CD2 4.12Å; L509-F523 HydrophobicContact CB-CE1 4.32Å; L509-F523 HydrophobicContact CB-CZ 4.26Å
510L95.6Very high96.1Very high27 Ų2738.6 Ų38.614%0.14118%0.182CC..Hα-helixtrans-64.1-44.9177.817963.6000111.6G506 L507 E508 A512 R513 F523 A709 I724 A725G506-L510 WeakPolarHBondContact O-CB 3.45Å; G506-L510 PolarHBondContact O-N 2.85Å; L507-L510 PolarHBondContact O-N 2.81Å; E508-L510 VanDerWaalsContact C-N 3.33Å; E508-L510 PolarHBondContact O-N 3.45Å; L510-A512 VanDerWaalsContact C-N 3.33Å; L510-R513 WeakPolarHBondContact O-CB 3.14Å; L510-R513 WeakPolarHBondContact O-CG 3.41Å; L510-R513 PolarHBondContact O-N 2.8Å; L510-F523 HydrophobicContact CB-CZ 4.27Å; L510-A709 HydrophobicContact CD1-CB 3.95Å; L510-A709 HydrophobicContact CD2-CB 4.49Å; L510-I724 HydrophobicContact CB-CG2 4.44Å; L510-I724 HydrophobicContact CD2-CG2 3.55Å; L510-A725 HydrophobicContact CD2-CB 3.92Å
511Q94.7Very high96Very high104 Ų10438.9 Ų38.949%0.48618%0.183SC..Hα-helixtrans-65.5-38.2177.8-73.2173-32.200111.7L507 E508 R513 E514 K728L507-Q511 WeakPolarHBondContact O-CG 3.44Å; L507-Q511 PolarHBondContact O-N 3.19Å; E508-Q511 PolarHBondContact O-N 3.46Å; Q511-R513 PolarHBondContact O-N 3.2Å; Q511-E514 PolarHBondContact O-N 2.84Å; Q511-K728 VanDerWaalsContact NE2-NZ 3.17Å
512A95.8Very high96Very high5 Ų538.1 Ų38.14%0.04118%0.18CC..G310 helixtrans-68.9-9.5179.700000114L479 E508 L509 L510 E514 Q515 Y516 L519L479-A512 HydrophobicContact CD1-CB 3.76Å; L479-A512 HydrophobicContact CD2-CB 3.86Å; L479-A512 HydrophobicContact CG-CB 4.42Å; E508-A512 VanDerWaalsContact O-CB 3.24Å; E508-A512 WeakPolarHBondContact O-CB 3.37Å; E508-A512 PolarHBondContact O-N 3.45Å; L509-A512 PolarHBondContact O-N 2.95Å; L510-A512 VanDerWaalsContact C-N 3.33Å; A512-E514 PolarHBondContact O-N 3.14Å; A512-Q515 PolarHBondContact O-N 3.03Å; A512-Y516 HydrophobicContact CB-CD2 4.22Å; A512-Y516 PolarHBondContact O-N 2.88Å; A512-L519 HydrophobicContact CB-CD1 3.42Å; A512-L519 VanDerWaalsContact CB-CD1 3.42Å
513R95.2Very high96Very high10 Ų1038.2 Ų38.24%0.03818%0.18CC..G310 helixtrans-59.2-25.6171.8-70.1-173.7177165.5-7.7113.7L509 L510 Q511 Q515 L519 I521 A703 T705 S708L509-R513 PolarHBondContact O-N 3.36Å; L510-R513 WeakPolarHBondContact O-CB 3.14Å; L510-R513 WeakPolarHBondContact O-CG 3.41Å; L510-R513 PolarHBondContact O-N 2.8Å; Q511-R513 PolarHBondContact O-N 3.2Å; R513-Q515 PolarHBondContact O-N 3.13Å; R513-L519 HydrophobicContact CG-CB 4.02Å; R513-L519 WeakPolarHBondContact CG-O 3.35Å; R513-L519 PolarHBondContact NE-O 3.4Å; R513-I521 PolarHBondContact NH2-O 3.34Å; R513-A703 PolarHBondContact NH1-O 2.98Å; R513-A703 PolarHBondContact NH2-O 3.13Å; R513-T705 PolarHBondContact NH1-O 2.97Å; R513-T705 VanDerWaalsContact NH1-O 3.17Å; R513-S708 VanDerWaalsContact CZ-OG 3.3Å; R513-S708 PolarHBondContact NH1-OG 3.43Å; R513-S708 PolarHBondContact NH2-OG 2.83Å
514E92.4Very high96Very high179 Ų17938.2 Ų38.284%0.83618%0.18SC*.G310 helixtrans-67.2-24.7175.8-65.7-179.4-177.900112.5Q511 A512Q511-E514 PolarHBondContact O-N 2.84Å; A512-E514 PolarHBondContact O-N 3.14Å
515Q94.1Very high96Very high147 Ų14737 Ų3769%0.68717%0.173SC*.THydrogen-bonded Turntrans-108.2-29.1-174.9-62.1177.61500112.7A512 R513A512-Q515 PolarHBondContact O-N 3.03Å; R513-Q515 PolarHBondContact O-N 3.13Å
516Y95.3Very high96.1Very high61 Ų6137 Ų3724%0.23917%0.173CC..  trans-129.5110.3-173.5-58.3-79.7000111.2L479 T483 A512 E518 L519L479-Y516 HydrophobicContact CB-CE2 4.06Å; L479-Y516 HydrophobicContact CD1-CE2 4.48Å; T483-Y516 HydrophobicContact CG2-CD1 3.82Å; T483-Y516 HydrophobicContact CG2-CD2 4.31Å; T483-Y516 HydrophobicContact CG2-CG 3.65Å; A512-Y516 HydrophobicContact CB-CD2 4.22Å; A512-Y516 PolarHBondContact O-N 2.88Å; Y516-E518 PolarHBondContact O-N 3.49Å; Y516-L519 HydrophobicContact CD2-CD1 4.41Å; Y516-L519 PolarHBondContact O-N 3.44Å; Y516-L519 VanDerWaalsContact O-N 3.15Å
517E93.6Very high96.2Very high87 Ų8737 Ų3741%0.40717%0.173SC..G310 helixtrans-64.8-27.3-179.8-154-170.8172.300111.9L519 C520 R700 F702E517-L519 PolarHBondContact O-N 3.18Å; E517-C520 VanDerWaalsContact O-CB 3.24Å; E517-C520 WeakPolarHBondContact O-CB 3.48Å; E517-C520 PolarHBondContact O-N 3.26Å; E517-R700 VanDerWaalsContact CD-CZ 3.49Å; E517-R700 IonicContact OE1-CZ 2.98Å; E517-R700 IonicContact OE1-NH1 3.04Å; E517-R700 PolarHBondContact OE1-NH1 3.1Å; E517-R700 IonicContact OE1-NH2 3.3Å; E517-R700 PolarHBondContact OE1-NH2 3.49Å; E517-R700 IonicContact OE2-CZ 2.82Å; E517-R700 IonicContact OE2-NH1 2.65Å; E517-R700 PolarHBondContact OE2-NH1 3.2Å; E517-R700 IonicContact OE2-NH2 3.14Å; E517-R700 PolarHBondContact OE2-NH2 2.88Å; E517-F702 HydrophobicContact CG-CD2 4.12Å; E517-F702 HydrophobicContact CG-CE2 3.66Å
518E94.2Very high96.2Very high78 Ų7836.6 Ų36.636%0.36417%0.171SC..G310 helixtrans-62-23.8177-61.676.6-169.700112.4T483 I486 A487 Y516 C520T483-E518 HydrophobicContact CG2-CB 4.37Å; I486-E518 HydrophobicContact CG2-CB 4.26Å; I486-E518 WeakPolarHBondContact CG2-O 3.28Å; A487-E518 HydrophobicContact CB-CG 4.09Å; Y516-E518 PolarHBondContact O-N 3.49Å; E518-C520 VanDerWaalsContact C-N 3.34Å
519L95.5Very high96.3Very high5 Ų535.1 Ų35.13%0.02617%0.165CC..G310 helixtrans-86.2-5176.5-58.5-177.9000113.2L479 I482 T483 I486 L509 A512 R513 Y516 E517 I521L479-L519 HydrophobicContact CD2-CD1 4.19Å; I482-L519 HydrophobicContact CG2-CD2 4.44Å; T483-L519 HydrophobicContact CG2-CD1 4.06Å; T483-L519 HydrophobicContact CG2-CD2 3.8Å; T483-L519 HydrophobicContact CG2-CG 3.72Å; I486-L519 HydrophobicContact CD1-CD2 3.57Å; L509-L519 HydrophobicContact CD2-CD1 4.22Å; L509-L519 HydrophobicContact CD2-CD2 4.12Å; A512-L519 HydrophobicContact CB-CD1 3.42Å; A512-L519 VanDerWaalsContact CB-CD1 3.42Å; R513-L519 HydrophobicContact CG-CB 4.02Å; R513-L519 WeakPolarHBondContact CG-O 3.35Å; R513-L519 PolarHBondContact NE-O 3.4Å; Y516-L519 HydrophobicContact CD2-CD1 4.41Å; Y516-L519 PolarHBondContact O-N 3.44Å; Y516-L519 VanDerWaalsContact O-N 3.15Å; E517-L519 PolarHBondContact O-N 3.18Å; L519-I521 PolarHBondContact O-N 3.28Å
520C95.9Very high96.3Very high3 Ų335.5 Ų35.52%0.0217%0.167CC..  trans-7547.7173.3-60.30000111.4E517 E518 F702 A703E517-C520 VanDerWaalsContact O-CB 3.24Å; E517-C520 WeakPolarHBondContact O-CB 3.48Å; E517-C520 PolarHBondContact O-N 3.26Å; E518-C520 VanDerWaalsContact C-N 3.34Å; C520-F702 HydrophobicContact CB-CD2 3.63Å; C520-F702 HydrophobicContact CB-CE2 3.56Å; C520-F702 HydrophobicContact CB-CG 4.43Å; C520-F702 HydrophobicContact CB-CZ 4.33Å; C520-F702 VanDerWaalsContact SG-CE2 3.57Å; C520-A703 PolarHBondContact O-N 2.91Å
521I96.4Very high96.4Very high12 Ų1234.9 Ų34.96%0.06217%0.165CC..SBendtrans-113.2147.7173.357.7171.7000109.8I486 I491 H492 L494 R513 L519I486-I521 HydrophobicContact CD1-CD1 4.43Å; I486-I521 HydrophobicContact CG2-CD1 4.22Å; I491-I521 HydrophobicContact CG2-CD1 4.21Å; H492-I521 WeakPolarHBondContact O-CB 3.49Å; L494-I521 HydrophobicContact CD1-CD1 4.16Å; L494-I521 HydrophobicContact CG-CD1 3.87Å; R513-I521 PolarHBondContact NH2-O 3.34Å; L519-I521 PolarHBondContact O-N 3.28Å
522P97.6Very high96.5Very high0 Ų030.3 Ų30.30%014%0.144CC..  trans-67.8141.9175.128.4-35.1000111.1H492 A493 L494 L688 K691 L692 A703 S708H492-P522 WeakPolarHBondContact O-CD 3.19Å; A493-P522 WeakPolarHBondContact CA-O 3.3Å; A493-P522 HydrophobicContact CB-CG 4.21Å; A493-P522 WeakPolarHBondContact CB-O 3.3Å; L494-P522 PolarHBondContact N-O 3.45Å; P522-L688 HydrophobicContact CB-CD2 3.96Å; P522-L688 HydrophobicContact CG-CD2 4.37Å; P522-K691 HydrophobicContact CB-CB 4.37Å; P522-L692 HydrophobicContact CG-CD2 3.59Å; P522-L692 HydrophobicContact CG-CG 3.89Å; P522-A703 HydrophobicContact CB-CB 4.45Å; P522-S708 CarbonylContact C-O 3.56Å; P522-S708 WeakPolarHBondContact CA-O 3.45Å
523F98.2Very high96.6Very high3 Ų330.6 Ų30.61%0.01315%0.145CC..EExtended strand (participates in β ladder)trans-147157.9173.265.5-95.8000112.7L494 I496 G506 L509 L510 S708 A709 C710L494-F523 HydrophobicContact CB-CB 3.69Å; L494-F523 WeakPolarHBondContact O-CA 3.33Å; L494-F523 WeakPolarHBondContact O-CB 3.48Å; I496-F523 HydrophobicContact CD1-CD2 4.14Å; G506-F523 VanDerWaalsContact O-CZ 3.27Å; G506-F523 WeakPolarHBondContact O-CZ 3.44Å; L509-F523 HydrophobicContact CB-CE1 4.32Å; L509-F523 HydrophobicContact CB-CZ 4.26Å; L510-F523 HydrophobicContact CB-CZ 4.27Å; F523-S708 PolarHBondContact N-O 2.84Å; F523-A709 HydrophobicContact CD1-CB 4.18Å; F523-A709 HydrophobicContact CD2-CB 4.29Å; F523-A709 HydrophobicContact CE1-CB 3.61Å; F523-A709 HydrophobicContact CE2-CB 3.73Å; F523-A709 HydrophobicContact CG-CB 4.49Å; F523-A709 HydrophobicContact CZ-CB 3.35Å; F523-A709 WeakPolarHBondContact O-CA 3.34Å; F523-C710 PolarHBondContact O-N 3.44Å; F523-C710 VanDerWaalsContact O-N 3.1Å
524V98.4Very high96.7Very high0 Ų030.2 Ų30.20%014%0.144CC..EExtended strand (participates in β ladder)trans-132.2133.3-179.860.50000110.7L494 V495 I496 W687 L688 C710 L712 F721L494-V524 PolarHBondContact O-N 3.05Å; V495-V524 HydrophobicContact CB-CG1 4.45Å; V495-V524 HydrophobicContact CG1-CG1 4.34Å; V495-V524 HydrophobicContact CG2-CG1 4.08Å; I496-V524 PolarHBondContact N-O 2.76Å; V524-W687 HydrophobicContact CB-CE3 4.32Å; V524-W687 HydrophobicContact CB-CZ3 4.12Å; V524-L688 HydrophobicContact CG1-CD1 3.86Å; V524-L688 HydrophobicContact CG1-CD2 4.47Å; V524-L688 HydrophobicContact CG1-CG 4.09Å; V524-C710 CarbonylContact C-O 3.5Å; V524-C710 VanDerWaalsContact CA-O 3.27Å; V524-C710 WeakPolarHBondContact CA-O 3.21Å; V524-L712 HydrophobicContact CG2-CB 3.68Å; V524-F721 HydrophobicContact CG2-CD1 4.2Å; V524-F721 HydrophobicContact CG2-CE1 3.91Å
525V98.7Very high96.8Very high0 Ų021.7 Ų21.70%010%0.104CC..EExtended strand (participates in β ladder)trans-97125171.6-179.20000109I496 A502 C710 V711 L712 I724I496-V525 HydrophobicContact CB-CG2 4.27Å; I496-V525 HydrophobicContact CD1-CG2 4.46Å; I496-V525 CarbonylContact O-C 3.6Å; I496-V525 VanDerWaalsContact O-CA 3.25Å; I496-V525 WeakPolarHBondContact O-CA 3.3Å; A502-V525 HydrophobicContact CB-CG1 3.96Å; V525-C710 PolarHBondContact N-O 2.8Å; V525-V711 HydrophobicContact CB-CG2 4.19Å; V525-V711 WeakPolarHBondContact O-CA 3.09Å; V525-L712 PolarHBondContact O-N 3.24Å; V525-I724 HydrophobicContact CG2-CD1 3.92Å
526I98.6Very high96.7Very high0 Ų014.9 Ų14.90%07%0.073CC..EExtended strand (participates in β ladder)trans-103.4114.4172.8-58.5-178.8000108.1V495 I496 I497 G498 A528 I541 M680V495-I526 HydrophobicContact CG1-CD1 3.92Å; V495-I526 HydrophobicContact CG1-CG1 4.48Å; I496-I526 PolarHBondContact O-N 3.16Å; I497-I526 HydrophobicContact CG1-CB 4.14Å; I497-I526 HydrophobicContact CG1-CD1 4.12Å; I497-I526 HydrophobicContact CG1-CG1 4.45Å; G498-I526 PolarHBondContact N-O 3.31Å; I526-A528 PolarHBondContact O-N 2.72Å; I526-I541 HydrophobicContact CG2-CD1 3.56Å; I526-M680 HydrophobicContact CD1-CB 4.28Å; I526-M680 HydrophobicContact CG2-CB 3.73Å; I526-M680 HydrophobicContact CG2-CE 4.22Å; I526-M680 HydrophobicContact CG2-CG 4.32Å
527P98.4Very high96.7Very high0 Ų012.6 Ų12.60%07%0.066CC..EExtended strand (participates in β ladder)trans-60.3116.6177.8-27.738.2000113G498 V534 S540 I541 V711 L712G498-P527 CarbonylContact O-C 3.59Å; G498-P527 WeakPolarHBondContact O-CA 3.35Å; P527-V534 HydrophobicContact CB-CB 3.9Å; P527-V534 HydrophobicContact CB-CG1 3.94Å; P527-V534 HydrophobicContact CB-CG2 4.26Å; P527-V534 HydrophobicContact CG-CB 4.32Å; P527-V534 HydrophobicContact CG-CG1 3.87Å; P527-S540 WeakPolarHBondContact O-CA 3.4Å; P527-I541 PolarHBondContact O-N 3.34Å; P527-V711 HydrophobicContact CG-CG1 3.65Å; P527-L712 WeakPolarHBondContact CD-O 3.16Å
528A98.4Very high96.7Very high0 Ų09.9 Ų9.90%06%0.055CC..BIsolated β-bridgetrans-140.2106.1177.700000110.6M416 I497 G498 G499 I526 I541M416-A528 HydrophobicContact CE-CB 3.77Å; M416-A528 HydrophobicContact CG-CB 3.9Å; I497-A528 HydrophobicContact CG2-CB 3.69Å; G498-A528 CarbonylContact C-O 3.52Å; G498-A528 PolarHBondContact O-N 3.06Å; G499-A528 WeakPolarHBondContact CA-O 3.24Å; G499-A528 PolarHBondContact N-O 3.37Å; I526-A528 PolarHBondContact O-N 2.72Å; A528-I541 CarbonylContact C-O 3.59Å; A528-I541 WeakPolarHBondContact CA-O 3.36Å; A528-I541 HydrophobicContact CB-CB 3.96Å
529T98.1Very high96.7Very high14 Ų147.4 Ų7.49%0.0864%0.042CC..  trans-167.6148.7-179.4172.90000109S531 N533 V534 S540 I541T529-S531 PolarHBondContact O-N 2.76Å; T529-S531 PolarHBondContact OG1-N 2.76Å; T529-S531 VanDerWaalsContact OG1-N 3.17Å; T529-N533 WeakPolarHBondContact CG2-OD1 3.43Å; T529-V534 HydrophobicContact CG2-CG2 3.81Å; T529-S540 WeakPolarHBondContact CG2-OG 3.47Å; T529-S540 PolarHBondContact O-OG 2.97Å; T529-I541 CarbonylContact C-O 3.55Å; T529-I541 PolarHBondContact N-O 2.88Å
530V97.5Very high96.8Very high10 Ų107.2 Ų7.26%0.0614%0.041CC..THydrogen-bonded Turntrans-68.1-28.4172.7-60.40000112.2C413 N532 A546 L581 Q665C413-V530 HydrophobicContact CB-CG1 3.89Å; V530-N532 VanDerWaalsContact C-N 3.32Å; V530-N532 PolarHBondContact O-N 2.98Å; V530-A546 HydrophobicContact CB-CB 3.72Å; V530-A546 HydrophobicContact CG1-CB 3.86Å; V530-L581 HydrophobicContact CB-CD1 4.38Å; V530-L581 HydrophobicContact CG2-CD1 4.43Å; V530-L581 WeakPolarHBondContact O-CD1 3.43Å; V530-L581 WeakPolarHBondContact O-CD2 3.49Å; V530-L581 WeakPolarHBondContact O-CG 3.48Å; V530-Q665 HydrophobicContact CG1-CG 4.38Å
531S97.6Very high96.9Very high15 Ų157 Ų711%0.1054%0.041CC..THydrogen-bonded Turntrans-76.3-17.5-170-52.50000114T529 N533 C578T529-S531 PolarHBondContact O-N 2.76Å; T529-S531 PolarHBondContact OG1-N 2.76Å; T529-S531 VanDerWaalsContact OG1-N 3.17Å; S531-N533 VanDerWaalsContact C-N 3.28Å; S531-N533 PolarHBondContact O-N 3.21Å; S531-C578 PolarHBondContact O-SG 3.25Å
532N97.5Very high97Very high7 Ų76.5 Ų6.54%0.0374%0.038CC..  trans52.544.5-172-159.929.8000113.6V530 D538 F539 S540 A543 Y580V530-N532 VanDerWaalsContact C-N 3.32Å; V530-N532 PolarHBondContact O-N 2.98Å; N532-D538 PolarHBondContact ND2-O 3.5Å; N532-F539 VanDerWaalsContact OD1-C 3.29Å; N532-F539 WeakPolarHBondContact OD1-CA 3.47Å; N532-S540 VanDerWaalsContact CA-OG 3.25Å; N532-S540 WeakPolarHBondContact CA-OG 3.4Å; N532-S540 PolarHBondContact N-OG 2.74Å; N532-S540 PolarHBondContact OD1-N 2.99Å; N532-S540 PolarHBondContact OD1-OG 3.13Å; N532-A543 HydrophobicContact CB-CB 4.1Å; N532-Y580 HydrophobicContact CB-CD1 3.57Å; N532-Y580 HydrophobicContact CB-CD2 4.39Å; N532-Y580 HydrophobicContact CB-CE1 4.02Å; N532-Y580 HydrophobicContact CB-CG 3.79Å; N532-Y580 WeakPolarHBondContact ND2-CE2 3.34Å
533N97.1Very high97Very high11 Ų116.5 Ų6.56%0.0594%0.038CC..  trans-11216.3-172.873.5-41.7000114T529 S531 C578 R736 I737T529-N533 WeakPolarHBondContact CG2-OD1 3.43Å; S531-N533 VanDerWaalsContact C-N 3.28Å; S531-N533 PolarHBondContact O-N 3.21Å; N533-C578 HydrophobicContact CB-CB 3.77Å; N533-R736 PolarHBondContact ND2-O 3.28Å; N533-I737 HydrophobicContact CB-CG2 4.27Å
534V96.8Very high97Very high2 Ų27 Ų71%0.0124%0.04CC..  trans-93.4124.2180-178.40000109.5G499 P527 T529G499-V534 VanDerWaalsContact C-CG2 3.5Å; P527-V534 HydrophobicContact CB-CB 3.9Å; P527-V534 HydrophobicContact CB-CG1 3.94Å; P527-V534 HydrophobicContact CB-CG2 4.26Å; P527-V534 HydrophobicContact CG-CB 4.32Å; P527-V534 HydrophobicContact CG-CG1 3.87Å; T529-V534 HydrophobicContact CG2-CG2 3.81Å
535P95.6Very high97Very high0 Ų07.1 Ų7.10%04%0.041CC..THydrogen-bonded Turntrans-56.8150.1176.1-24.633.3000112.9F500 Y503 L727 T731 P738F500-P535 HydrophobicContact CE2-CG 4.27Å; Y503-P535 HydrophobicContact CD1-CG 4.33Å; Y503-P535 HydrophobicContact CE1-CG 4.12Å; P535-L727 HydrophobicContact CB-CB 4.24Å; P535-T731 HydrophobicContact CG-CG2 3.98Å; P535-T731 WeakPolarHBondContact CG-OG1 3.39Å; P535-P738 HydrophobicContact CG-CG 4.44Å
536G92.6Very high97Very high4 Ų47.1 Ų7.14%0.0414%0.041CC..THydrogen-bonded Turntrans84.8-0.9176.200000115.7Q722G536-Q722 PolarHBondContact O-NE2 3.24Å
537S94.2Very high96.9Very high14 Ų147.3 Ų7.310%0.0984%0.043CC..  trans-136.5136.8175.2-1610000112.7F539 G713 M714S537-F539 VanDerWaalsContact C-N 3.25Å; S537-F539 WeakPolarHBondContact CB-O 3.34Å; S537-F539 PolarHBondContact OG-O 3.47Å; S537-G713 WeakPolarHBondContact OG-CA 3.42Å; S537-M714 PolarHBondContact OG-N 3.39Å
538D93.4Very high96.9Very high30 Ų308 Ų816%0.165%0.046CC..SBendtrans-69.4-26.8172.3-70.5-23.2000111.8N532 M714 K715 K716 W742N532-D538 PolarHBondContact ND2-O 3.5Å; D538-M714 WeakPolarHBondContact CB-O 3.43Å; D538-M714 PolarHBondContact N-O 3.22Å; D538-K715 WeakPolarHBondContact OD2-CA 3.35Å; D538-K716 PolarHBondContact OD2-N 2.99Å; D538-W742 PolarHBondContact O-NE1 3Å
539F95.1Very high96.9Very high25 Ų259.8 Ų9.811%0.116%0.057CC..  trans-138.9136.1-179.1-61-77.7000111.3N343 N532 S537 F676 M714 W742N343-F539 HydrophobicContact CB-CE2 4.42Å; N343-F539 WeakPolarHBondContact ND2-CZ 3.33Å; N532-F539 VanDerWaalsContact OD1-C 3.29Å; N532-F539 WeakPolarHBondContact OD1-CA 3.47Å; S537-F539 VanDerWaalsContact C-N 3.25Å; S537-F539 WeakPolarHBondContact CB-O 3.34Å; S537-F539 PolarHBondContact OG-O 3.47Å; F539-F676 HydrophobicContact CB-CE1 4.43Å; F539-F676 HydrophobicContact CB-CZ 4.45Å; F539-M714 HydrophobicContact CD2-SD 4Å; F539-M714 HydrophobicContact CE2-CE 4.49Å; F539-W742 HydrophobicContact CD1-CZ2 4.47Å; F539-W742 HydrophobicContact CE1-CH2 4.23Å; F539-W742 AromaticContact CE1-CZ2 3.59Å; F539-W742 HydrophobicContact CE1-CZ2 3.59Å; F539-W742 HydrophobicContact CZ-CH2 4.1Å; F539-W742 AromaticContact CZ-CZ2 3.62Å; F539-W742 HydrophobicContact CZ-CZ2 3.62Å
540S97.4Very high96.9Very high1 Ų19.1 Ų9.11%0.0075%0.053CC..  trans-102.8150.3165.256.90000111P527 T529 N532 G542 A543P527-S540 WeakPolarHBondContact O-CA 3.4Å; T529-S540 WeakPolarHBondContact CG2-OG 3.47Å; T529-S540 PolarHBondContact O-OG 2.97Å; N532-S540 VanDerWaalsContact CA-OG 3.25Å; N532-S540 WeakPolarHBondContact CA-OG 3.4Å; N532-S540 PolarHBondContact N-OG 2.74Å; N532-S540 PolarHBondContact OD1-N 2.99Å; N532-S540 PolarHBondContact OD1-OG 3.13Å; S540-G542 PolarHBondContact O-N 3.14Å; S540-A543 WeakPolarHBondContact O-CB 3.47Å; S540-A543 PolarHBondContact O-N 3.03Å
541I98.4Very high96.9Very high0 Ų08.7 Ų8.70%05%0.05CC..BIsolated β-bridgetrans-58.6134.8170.5-60.5164.7000108.8C413 G415 A419 I526 P527 A528 T529 F676 M680C413-I541 PolarHBondContact SG-O 3.39Å; G415-I541 VanDerWaalsContact C-CG2 3.41Å; A419-I541 HydrophobicContact CB-CD1 3.94Å; I526-I541 HydrophobicContact CG2-CD1 3.56Å; P527-I541 PolarHBondContact O-N 3.34Å; A528-I541 CarbonylContact C-O 3.59Å; A528-I541 WeakPolarHBondContact CA-O 3.36Å; A528-I541 HydrophobicContact CB-CB 3.96Å; T529-I541 CarbonylContact C-O 3.55Å; T529-I541 PolarHBondContact N-O 2.88Å; I541-F676 HydrophobicContact CG1-CD1 3.66Å; I541-F676 HydrophobicContact CG1-CE1 4.05Å; I541-M680 HydrophobicContact CD1-CB 4.37Å; I541-M680 HydrophobicContact CD1-CG 4.48Å
542G97.8Very high96.8Very high0 Ų010.6 Ų10.60%06%0.062CC..THydrogen-bonded Turntrans94.8-14.2178.500000114.4A414 S540 A546 D673A414-G542 WeakPolarHBondContact O-CA 3.43Å; A414-G542 PolarHBondContact O-N 3.31Å; S540-G542 PolarHBondContact O-N 3.14Å; G542-A546 WeakPolarHBondContact O-CB 3.36Å; G542-A546 PolarHBondContact O-N 3.16Å; G542-A546 VanDerWaalsContact O-N 3.08Å; G542-D673 WeakPolarHBondContact CA-OD2 3.45Å; G542-D673 PolarHBondContact N-OD1 2.85Å; G542-D673 PolarHBondContact N-OD2 2.81Å
543A97.8Very high96.8Very high1 Ų111.6 Ų11.61%0.0087%0.068CC..Hα-helixtrans-68.8-37.3-179.700000112.1N532 S540 A546 L547 Y580N532-A543 HydrophobicContact CB-CB 4.1Å; S540-A543 WeakPolarHBondContact O-CB 3.47Å; S540-A543 PolarHBondContact O-N 3.03Å; A543-A546 PolarHBondContact O-N 2.98Å; A543-L547 VanDerWaalsContact O-CB 3.26Å; A543-L547 WeakPolarHBondContact O-CB 3.32Å; A543-L547 PolarHBondContact O-N 2.88Å; A543-Y580 HydrophobicContact CB-CE1 4.03Å
544D98.1Very high96.7Very high12 Ų1211.1 Ų11.16%0.0647%0.065CC..Hα-helixtrans-70.4-40.2177.8178.870.8000111.9A546 L547 N548 T670 F672D544-A546 VanDerWaalsContact C-N 3.33Å; D544-A546 PolarHBondContact O-N 3.21Å; D544-L547 PolarHBondContact O-N 3.01Å; D544-N548 WeakPolarHBondContact O-CB 3.19Å; D544-N548 PolarHBondContact O-N 2.67Å; D544-N548 PolarHBondContact O-ND2 3.43Å; D544-N548 PolarHBondContact OD1-ND2 2.86Å; D544-N548 PolarHBondContact OD2-ND2 3.21Å; D544-N548 VanDerWaalsContact OD2-ND2 3.17Å; D544-T670 WeakPolarHBondContact OD2-CB 3.44Å; D544-T670 WeakPolarHBondContact OD2-CG2 3.22Å; D544-T670 PolarHBondContact OD2-OG1 3.5Å; D544-F672 HydrophobicContact CB-CB 4.29Å; D544-F672 HydrophobicContact CB-CD1 3.64Å; D544-F672 HydrophobicContact CB-CE1 4.37Å; D544-F672 HydrophobicContact CB-CG 4.23Å
545T98.4Very high96.6Very high3 Ų312 Ų122%0.0187%0.07CC..Hα-helixtrans-61-43.2174-57.60000111.7A414 T549 T670 D673A414-T545 HydrophobicContact CB-CG2 3.68Å; T545-T549 WeakPolarHBondContact O-CB 3.48Å; T545-T549 PolarHBondContact O-N 3.39Å; T545-T549 PolarHBondContact O-OG1 3.48Å; T545-T670 HydrophobicContact CG2-CG2 4.28Å; T545-T670 PolarHBondContact OG1-N 2.94Å; T545-T670 PolarHBondContact OG1-OG1 3.2Å; T545-D673 VanDerWaalsContact CB-OD2 3.27Å; T545-D673 WeakPolarHBondContact CB-OD2 3.46Å; T545-D673 PolarHBondContact N-OD2 3.41Å; T545-D673 PolarHBondContact OG1-OD2 3.04Å
546A98.3Very high96.5Very high0 Ų020.1 Ų20.10%010%0.101CC..Hα-helixtrans-62.9-46.5175.600000111.8V530 G542 A543 D544 N548 T549 I550 L581 Q664V530-A546 HydrophobicContact CB-CB 3.72Å; V530-A546 HydrophobicContact CG1-CB 3.86Å; G542-A546 WeakPolarHBondContact O-CB 3.36Å; G542-A546 PolarHBondContact O-N 3.16Å; G542-A546 VanDerWaalsContact O-N 3.08Å; A543-A546 PolarHBondContact O-N 2.98Å; D544-A546 VanDerWaalsContact C-N 3.33Å; D544-A546 PolarHBondContact O-N 3.21Å; A546-N548 PolarHBondContact O-N 3.5Å; A546-T549 PolarHBondContact O-N 2.91Å; A546-I550 VanDerWaalsContact O-CG1 3.27Å; A546-I550 WeakPolarHBondContact O-CG1 3.24Å; A546-I550 PolarHBondContact O-N 2.87Å; A546-L581 HydrophobicContact CB-CD1 4.37Å; A546-L581 HydrophobicContact CB-CD2 3.88Å; A546-Q664 WeakPolarHBondContact CA-O 3.37Å; A546-Q664 WeakPolarHBondContact CB-O 3.49Å
547L97.8Very high96.5Very high5 Ų520.6 Ų20.63%0.02610%0.102CC..Hα-helixtrans-59.8-45179.2178.158.7000112.4A309 A543 D544 T549 I550 T551 L581 M584 A585A309-L547 HydrophobicContact CB-CD1 4.37Å; A309-L547 HydrophobicContact CB-CD2 4.02Å; A309-L547 HydrophobicContact CB-CG 3.62Å; A543-L547 VanDerWaalsContact O-CB 3.26Å; A543-L547 WeakPolarHBondContact O-CB 3.32Å; A543-L547 PolarHBondContact O-N 2.88Å; D544-L547 PolarHBondContact O-N 3.01Å; L547-T549 VanDerWaalsContact C-N 3.33Å; L547-T549 PolarHBondContact O-N 3.45Å; L547-I550 PolarHBondContact O-N 3.38Å; L547-T551 VanDerWaalsContact O-CB 3.3Å; L547-T551 WeakPolarHBondContact O-CB 3.33Å; L547-T551 PolarHBondContact O-N 3.2Å; L547-T551 PolarHBondContact O-OG1 2.88Å; L547-L581 HydrophobicContact CB-CD2 4.49Å; L547-M584 HydrophobicContact CD1-CB 3.77Å; L547-M584 HydrophobicContact CD2-CB 4Å; L547-A585 VanDerWaalsContact CD1-CA 3.47Å; L547-A585 HydrophobicContact CD1-CB 3.68Å
548N98.3Very high96.2Very high15 Ų1520.6 Ų20.68%0.0810%0.1CC..Hα-helixtrans-64-38.9176-84.8-75.6000112A309 D544 A546 T551 T552 T670A309-N548 PolarHBondContact N-OD1 2.83Å; D544-N548 WeakPolarHBondContact O-CB 3.19Å; D544-N548 PolarHBondContact O-N 2.67Å; D544-N548 PolarHBondContact O-ND2 3.43Å; D544-N548 PolarHBondContact OD1-ND2 2.86Å; D544-N548 PolarHBondContact OD2-ND2 3.21Å; D544-N548 VanDerWaalsContact OD2-ND2 3.17Å; A546-N548 PolarHBondContact O-N 3.5Å; N548-T551 PolarHBondContact O-N 2.95Å; N548-T552 WeakPolarHBondContact O-CB 3.47Å; N548-T552 PolarHBondContact O-N 3.3Å; N548-T552 PolarHBondContact O-OG1 3.41Å; N548-T670 HydrophobicContact CB-CG2 4.24Å
549T97.6Very high95.9Very high37 Ų3726 Ų2623%0.22713%0.125CC..Hα-helixtrans-63.8-50.3176.8-56.40000111T545 A546 L547 T551 T552 T553 M663T545-T549 WeakPolarHBondContact O-CB 3.48Å; T545-T549 PolarHBondContact O-N 3.39Å; T545-T549 PolarHBondContact O-OG1 3.48Å; A546-T549 PolarHBondContact O-N 2.91Å; L547-T549 VanDerWaalsContact C-N 3.33Å; L547-T549 PolarHBondContact O-N 3.45Å; T549-T551 VanDerWaalsContact C-N 3.33Å; T549-T551 PolarHBondContact O-N 3.47Å; T549-T552 PolarHBondContact O-N 2.89Å; T549-T553 PolarHBondContact O-N 2.93Å; T549-T553 PolarHBondContact O-OG1 2.97Å; T549-M663 VanDerWaalsContact CG2-O 3.3Å; T549-M663 WeakPolarHBondContact CG2-O 3.21Å
550I98.1Very high95.5Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-58.5-46.3177.1-62.4162000110.6A546 L547 T552 T553 C554 T573 L581 A585 L627 L660 Q664A546-I550 VanDerWaalsContact O-CG1 3.27Å; A546-I550 WeakPolarHBondContact O-CG1 3.24Å; A546-I550 PolarHBondContact O-N 2.87Å; L547-I550 PolarHBondContact O-N 3.38Å; I550-T552 PolarHBondContact O-N 3.4Å; I550-T553 PolarHBondContact O-N 2.91Å; I550-C554 WeakPolarHBondContact O-CB 3.4Å; I550-C554 PolarHBondContact O-N 2.9Å; I550-C554 PolarHBondContact O-SG 2.97Å; I550-T573 HydrophobicContact CD1-CG2 4.2Å; I550-T573 HydrophobicContact CG2-CG2 3.91Å; I550-L581 HydrophobicContact CD1-CB 3.84Å; I550-L581 HydrophobicContact CD1-CD1 4.11Å; I550-L581 HydrophobicContact CD1-CD2 4.02Å; I550-L581 HydrophobicContact CD1-CG 4.21Å; I550-A585 HydrophobicContact CB-CB 4.03Å; I550-A585 HydrophobicContact CG2-CB 3.42Å; I550-A585 VanDerWaalsContact CG2-CB 3.42Å; I550-L627 HydrophobicContact CG2-CD2 4.35Å; I550-L660 HydrophobicContact CB-CD1 4.18Å; I550-L660 HydrophobicContact CG1-CD1 3.91Å; I550-L660 HydrophobicContact CG2-CD1 3.83Å; I550-Q664 HydrophobicContact CD1-CG 4.22Å; I550-Q664 VanDerWaalsContact CD1-OE1 3.29Å; I550-Q664 HydrophobicContact CG1-CB 4.41Å; I550-Q664 HydrophobicContact CG1-CG 3.74Å
551T97.4Very high94.8Very high1 Ų128 Ų281%0.00614%0.142CC..Hα-helixtrans-61.7-45.4-178.6-59.20000111.3A309 L547 N548 T549 T553 C554 D555 A588A309-T551 HydrophobicContact CB-CG2 4.29Å; A309-T551 WeakPolarHBondContact CB-OG1 3.46Å; L547-T551 VanDerWaalsContact O-CB 3.3Å; L547-T551 WeakPolarHBondContact O-CB 3.33Å; L547-T551 PolarHBondContact O-N 3.2Å; L547-T551 PolarHBondContact O-OG1 2.88Å; N548-T551 PolarHBondContact O-N 2.95Å; T549-T551 VanDerWaalsContact C-N 3.33Å; T549-T551 PolarHBondContact O-N 3.47Å; T551-T553 PolarHBondContact O-N 3.43Å; T551-C554 WeakPolarHBondContact O-CB 3.21Å; T551-C554 PolarHBondContact O-N 2.98Å; T551-D555 PolarHBondContact O-N 2.86Å; T551-A588 HydrophobicContact CG2-CB 3.92Å
552T96.1Very high93.7Very high55 Ų5531 Ų3134%0.33717%0.166SC..Hα-helixtrans-65.1-40.1177.9-56.80000111.5N548 T549 I550 D555 R556N548-T552 WeakPolarHBondContact O-CB 3.47Å; N548-T552 PolarHBondContact O-N 3.3Å; N548-T552 PolarHBondContact O-OG1 3.41Å; T549-T552 PolarHBondContact O-N 2.89Å; I550-T552 PolarHBondContact O-N 3.4Å; T552-D555 WeakPolarHBondContact O-CB 3.47Å; T552-D555 PolarHBondContact O-N 3.23Å; T552-R556 WeakPolarHBondContact O-CG 3.41Å; T552-R556 PolarHBondContact O-N 3.22Å; T552-R556 VanDerWaalsContact O-N 3.14Å
553T96.3Very high92.4Very high28 Ų2834.5 Ų34.517%0.17220%0.202CC..Hα-helixtrans-65.4-40.9175-550000111.4T549 I550 T551 D555 R556 I557 L660T549-T553 PolarHBondContact O-N 2.93Å; T549-T553 PolarHBondContact O-OG1 2.97Å; I550-T553 PolarHBondContact O-N 2.91Å; T551-T553 PolarHBondContact O-N 3.43Å; T553-D555 VanDerWaalsContact C-N 3.27Å; T553-D555 PolarHBondContact O-N 3.15Å; T553-R556 PolarHBondContact O-N 3.39Å; T553-I557 HydrophobicContact CG2-CD1 3.96Å; T553-I557 HydrophobicContact CG2-CG1 4.45Å; T553-I557 VanDerWaalsContact O-CG1 3.3Å; T553-I557 WeakPolarHBondContact O-CG1 3.31Å; T553-I557 PolarHBondContact O-N 3.26Å; T553-L660 HydrophobicContact CG2-CD2 3.53Å
554C96Very high91.1Very high0 Ų036.9 Ų36.90%022%0.217CC..Hα-helixtrans-60.8-36.8173.9-69.50000111.9I550 T551 I557 K558 A589 L625I550-C554 WeakPolarHBondContact O-CB 3.4Å; I550-C554 PolarHBondContact O-N 2.9Å; I550-C554 PolarHBondContact O-SG 2.97Å; T551-C554 WeakPolarHBondContact O-CB 3.21Å; T551-C554 PolarHBondContact O-N 2.98Å; C554-I557 PolarHBondContact O-N 2.76Å; C554-K558 WeakPolarHBondContact O-CB 3.4Å; C554-K558 WeakPolarHBondContact O-CE 3.46Å; C554-K558 VanDerWaalsContact O-CG 3.29Å; C554-K558 WeakPolarHBondContact O-CG 3.4Å; C554-K558 PolarHBondContact O-N 3.28Å; C554-A589 HydrophobicContact CB-CB 3.65Å; C554-L625 HydrophobicContact CB-CD2 4.1Å
555D94.5Very high89.8Confident20 Ų2045.4 Ų45.411%0.10725%0.253CS..Hα-helixtrans-63-45.2174.7-68.9-23.2000112.3Q80 R312 T551 T552 T553 I557 K558 Q559Q80-D555 HydrophobicContact CB-CB 4.46Å; Q80-D555 WeakPolarHBondContact CB-OD1 3.49Å; Q80-D555 WeakPolarHBondContact CB-OD2 3.28Å; R312-D555 IonicContact CZ-OD2 3.83Å; R312-D555 VanDerWaalsContact NH1-CG 3.28Å; R312-D555 IonicContact NH1-OD1 3.59Å; R312-D555 PolarHBondContact NH1-OD1 2.85Å; R312-D555 IonicContact NH1-OD2 3.56Å; R312-D555 PolarHBondContact NH1-OD2 3.23Å; R312-D555 IonicContact NH2-OD2 3.4Å; R312-D555 PolarHBondContact NH2-OD2 3.15Å; T551-D555 PolarHBondContact O-N 2.86Å; T552-D555 WeakPolarHBondContact O-CB 3.47Å; T552-D555 PolarHBondContact O-N 3.23Å; T553-D555 VanDerWaalsContact C-N 3.27Å; T553-D555 PolarHBondContact O-N 3.15Å; D555-I557 VanDerWaalsContact C-N 3.32Å; D555-I557 PolarHBondContact O-N 2.89Å; D555-K558 PolarHBondContact O-N 3.2Å; D555-K558 WeakPolarHBondContact OD1-CE 3.29Å; D555-K558 IonicContact OD1-NZ 3.89Å; D555-K558 PolarHBondContact OD1-NZ 2.88Å; D555-Q559 PolarHBondContact O-N 2.87Å
556R93.4Very high89.3Confident172 Ų17249.9 Ų49.965%0.64927%0.27SS*.Hα-helixtrans-61.9-41.4175.7-65.3175.2-174.6179.42.2111.6T552 T553 Q559 S560T552-R556 WeakPolarHBondContact O-CG 3.41Å; T552-R556 PolarHBondContact O-N 3.22Å; T552-R556 VanDerWaalsContact O-N 3.14Å; T553-R556 PolarHBondContact O-N 3.39Å; R556-Q559 PolarHBondContact O-N 3.12Å; R556-S560 PolarHBondContact O-N 2.87Å
557I91.8Very high89Confident13 Ų1351.8 Ų51.87%0.06728%0.277CS..Hα-helixtrans-64-46.3175.8-70169.3000110.8T553 C554 D555 Q559 S560 A561 F569 V571 N658T553-I557 HydrophobicContact CG2-CD1 3.96Å; T553-I557 HydrophobicContact CG2-CG1 4.45Å; T553-I557 VanDerWaalsContact O-CG1 3.3Å; T553-I557 WeakPolarHBondContact O-CG1 3.31Å; T553-I557 PolarHBondContact O-N 3.26Å; C554-I557 PolarHBondContact O-N 2.76Å; D555-I557 VanDerWaalsContact C-N 3.32Å; D555-I557 PolarHBondContact O-N 2.89Å; I557-Q559 VanDerWaalsContact C-N 3.28Å; I557-Q559 PolarHBondContact O-N 3.25Å; I557-S560 WeakPolarHBondContact O-CB 3.37Å; I557-S560 PolarHBondContact O-N 2.93Å; I557-A561 PolarHBondContact O-N 3.31Å; I557-F569 HydrophobicContact CG2-CB 3.6Å; I557-F569 HydrophobicContact CG2-CD1 3.41Å; I557-F569 VanDerWaalsContact CG2-CD1 3.41Å; I557-F569 HydrophobicContact CG2-CD2 3.47Å; I557-F569 VanDerWaalsContact CG2-CD2 3.47Å; I557-F569 HydrophobicContact CG2-CE1 3.84Å; I557-F569 HydrophobicContact CG2-CE2 3.9Å; I557-F569 HydrophobicContact CG2-CG 3.19Å; I557-F569 HydrophobicContact CG2-CZ 4.06Å; I557-V571 HydrophobicContact CD1-CG2 3.93Å; I557-N658 HydrophobicContact CD1-CB 4.13Å
558K89.3Confident88.9Confident14 Ų1451.6 Ų51.66%0.06128%0.276CS..Hα-helixtrans-60-38175.9-77.2-179.2-59.9178.80111.9M77 Q80 C554 D555 A561 A562 A589 L625M77-K558 HydrophobicContact CE-CB 4.33Å; Q80-K558 VanDerWaalsContact OE1-NZ 3.08Å; C554-K558 WeakPolarHBondContact O-CB 3.4Å; C554-K558 WeakPolarHBondContact O-CE 3.46Å; C554-K558 VanDerWaalsContact O-CG 3.29Å; C554-K558 WeakPolarHBondContact O-CG 3.4Å; C554-K558 PolarHBondContact O-N 3.28Å; D555-K558 PolarHBondContact O-N 3.2Å; D555-K558 WeakPolarHBondContact OD1-CE 3.29Å; D555-K558 IonicContact OD1-NZ 3.89Å; D555-K558 PolarHBondContact OD1-NZ 2.88Å; K558-A561 WeakPolarHBondContact O-CB 3.42Å; K558-A561 PolarHBondContact O-N 3.23Å; K558-A562 WeakPolarHBondContact O-CB 3.22Å; K558-A562 PolarHBondContact O-N 3.31Å; K558-A589 PolarHBondContact NZ-O 3.39Å; K558-L625 HydrophobicContact CD-CD2 4.24Å; K558-L625 HydrophobicContact CG-CD2 4.3Å
559Q87.2Confident88.8Confident145 Ų14551.5 Ų51.568%0.67828%0.275SS*.Hα-helixtrans-64.7-43.4175.9-172.9177.83.200111.3D555 R556 I557 A561 A562 G563D555-Q559 PolarHBondContact O-N 2.87Å; R556-Q559 PolarHBondContact O-N 3.12Å; I557-Q559 VanDerWaalsContact C-N 3.28Å; I557-Q559 PolarHBondContact O-N 3.25Å; Q559-A561 VanDerWaalsContact C-N 3.34Å; Q559-A561 PolarHBondContact O-N 3.07Å; Q559-A562 WeakPolarHBondContact O-CB 3.32Å; Q559-A562 PolarHBondContact O-N 3.34Å; Q559-G563 PolarHBondContact O-N 3.34Å
560S86Confident88.8Confident65 Ų6549.7 Ų49.746%0.45526%0.264SS..Hα-helixtrans-60.3-42.6172.4-177.70000112.1R556 I557 A562 G563 T564R556-S560 PolarHBondContact O-N 2.87Å; I557-S560 WeakPolarHBondContact O-CB 3.37Å; I557-S560 PolarHBondContact O-N 2.93Å; S560-A562 VanDerWaalsContact C-N 3.29Å; S560-A562 PolarHBondContact O-N 3.5Å; S560-G563 PolarHBondContact O-N 3.12Å; S560-T564 PolarHBondContact O-OG1 3.35Å
561A81.5Confident88.7Confident2 Ų249.7 Ų49.72%0.01726%0.264CS..Hα-helixtrans-62.2-35.6175.300000112.3I557 K558 Q559 G563 T564 R567 F569 R623I557-A561 PolarHBondContact O-N 3.31Å; K558-A561 WeakPolarHBondContact O-CB 3.42Å; K558-A561 PolarHBondContact O-N 3.23Å; Q559-A561 VanDerWaalsContact C-N 3.34Å; Q559-A561 PolarHBondContact O-N 3.07Å; A561-G563 VanDerWaalsContact C-N 3.34Å; A561-T564 PolarHBondContact O-N 2.98Å; A561-T564 PolarHBondContact O-OG1 2.93Å; A561-R567 HydrophobicContact CB-CB 4.45Å; A561-F569 HydrophobicContact CB-CD2 3.96Å; A561-F569 HydrophobicContact CB-CE2 3.7Å; A561-R623 HydrophobicContact CB-CB 4.14Å
562A75.3Confident88.8Confident63 Ų6351.4 Ų51.452%0.52127%0.272SS..Hα-helixtrans-70.1-29.7178.700000113K558 Q559 S560 T564K558-A562 WeakPolarHBondContact O-CB 3.22Å; K558-A562 PolarHBondContact O-N 3.31Å; Q559-A562 WeakPolarHBondContact O-CB 3.32Å; Q559-A562 PolarHBondContact O-N 3.34Å; S560-A562 VanDerWaalsContact C-N 3.29Å; S560-A562 PolarHBondContact O-N 3.5Å; A562-T564 VanDerWaalsContact C-N 3.29Å; A562-T564 PolarHBondContact O-N 3.23Å
563G71.6Confident88.9Confident73 Ų7348.9 Ų48.975%0.75326%0.256SS*.THydrogen-bonded Turntrans-76.4-9.9176.700000114.7Q559 S560 A561Q559-G563 PolarHBondContact O-N 3.34Å; S560-G563 PolarHBondContact O-N 3.12Å; A561-G563 VanDerWaalsContact C-N 3.34Å
564T70.3Confident88.9Confident51 Ų5148.5 Ų48.531%0.31325%0.253SS..SBendtrans-120.6151.9-179.848.90000111.1S560 A561 A562 R566 R567S560-T564 PolarHBondContact O-OG1 3.35Å; A561-T564 PolarHBondContact O-N 2.98Å; A561-T564 PolarHBondContact O-OG1 2.93Å; A562-T564 VanDerWaalsContact C-N 3.29Å; A562-T564 PolarHBondContact O-N 3.23Å; T564-R566 PolarHBondContact O-N 3.43Å; T564-R567 PolarHBondContact OG1-NH1 3.29Å
565K71.5Confident88.9Confident192 Ų19248.5 Ų48.584%0.83525%0.253SS*.SBendtrans-74.1118.4179.6-69.1-178-178.6175.70109.4
566R87.7Confident89Confident97 Ų9748.4 Ų48.437%0.36626%0.257SS..SBendtrans5685.9166.5-60.8-176.9-177.1159.1-1.2114.8T564 M617 K622 I652 F653 D654T564-R566 PolarHBondContact O-N 3.43Å; R566-M617 HydrophobicContact CB-SD 4.22Å; R566-M617 HydrophobicContact CG-SD 4.44Å; R566-K622 VanDerWaalsContact CA-O 3.23Å; R566-K622 WeakPolarHBondContact CA-O 3.33Å; R566-K622 HydrophobicContact CG-CB 3.89Å; R566-K622 HydrophobicContact CG-CD 4.18Å; R566-K622 HydrophobicContact CG-CG 4.08Å; R566-I652 WeakPolarHBondContact CB-O 3.45Å; R566-I652 WeakPolarHBondContact CD-O 3.21Å; R566-F653 HydrophobicContact CB-CB 4.13Å; R566-F653 VanDerWaalsContact O-CA 3.3Å; R566-F653 WeakPolarHBondContact O-CA 3.19Å; R566-F653 WeakPolarHBondContact O-CB 3.45Å; R566-D654 PolarHBondContact O-N 3.37Å
567R91.9Very high89.2Confident40 Ų4044.2 Ų44.215%0.15124%0.241CC..EExtended strand (participates in β ladder)trans-133.2139.3-178.4-170.6162.7-70.9171.71114.2A561 T564 F569 K622 R623 G624 D654 R656A561-R567 HydrophobicContact CB-CB 4.45Å; T564-R567 PolarHBondContact OG1-NH1 3.29Å; R567-F569 HydrophobicContact CG-CD2 4.06Å; R567-F569 HydrophobicContact CG-CE2 3.68Å; R567-F569 HydrophobicContact CG-CZ 4.35Å; R567-K622 PolarHBondContact N-O 3.4Å; R567-R623 CarbonylContact O-C 3.52Å; R567-R623 VanDerWaalsContact O-CA 3.29Å; R567-R623 WeakPolarHBondContact O-CA 3.33Å; R567-G624 PolarHBondContact O-N 2.88Å; R567-D654 CarbonylContact C-O 3.5Å; R567-D654 WeakPolarHBondContact CA-O 3.37Å; R567-D654 IonicContact NH2-OD2 3.16Å; R567-D654 PolarHBondContact NH2-OD2 3.13Å; R567-R656 HydrophobicContact CG-CG 4.47Å
568V94.6Very high89.5Confident0 Ų043.6 Ų43.60%024%0.238CC..EExtended strand (participates in β ladder)trans-111134.4172.3-178.80000109.4L613 M617 G624 I626 Y645 F653 D654 C655 R656V568-L613 HydrophobicContact CG1-CD1 3.9Å; V568-L613 HydrophobicContact CG2-CD1 3.98Å; V568-M617 HydrophobicContact CG2-CE 3.41Å; V568-M617 VanDerWaalsContact CG2-CE 3.41Å; V568-G624 WeakPolarHBondContact CA-O 3.47Å; V568-I626 HydrophobicContact CG1-CG1 4.08Å; V568-Y645 HydrophobicContact CG1-CD1 4.17Å; V568-F653 HydrophobicContact CB-CD2 3.98Å; V568-F653 HydrophobicContact CB-CE2 4.04Å; V568-F653 HydrophobicContact CG2-CB 4.4Å; V568-F653 HydrophobicContact CG2-CD1 4.23Å; V568-F653 HydrophobicContact CG2-CD2 3.36Å; V568-F653 HydrophobicContact CG2-CE1 4.33Å; V568-F653 HydrophobicContact CG2-CE2 3.52Å; V568-F653 HydrophobicContact CG2-CG 3.75Å; V568-F653 HydrophobicContact CG2-CZ 4.01Å; V568-D654 PolarHBondContact N-O 3.38Å; V568-C655 CarbonylContact O-C 3.54Å; V568-C655 WeakPolarHBondContact O-CA 3.42Å; V568-R656 PolarHBondContact O-N 3.22Å
569F96.2Very high89.9Confident13 Ų1342.9 Ų42.96%0.05724%0.235CC..EExtended strand (participates in β ladder)trans-111.8133.5171.5-79-93.1000110.8I557 A561 R567 V571 G624 L625 I626 R656 N658I557-F569 HydrophobicContact CG2-CB 3.6Å; I557-F569 HydrophobicContact CG2-CD1 3.41Å; I557-F569 VanDerWaalsContact CG2-CD1 3.41Å; I557-F569 HydrophobicContact CG2-CD2 3.47Å; I557-F569 VanDerWaalsContact CG2-CD2 3.47Å; I557-F569 HydrophobicContact CG2-CE1 3.84Å; I557-F569 HydrophobicContact CG2-CE2 3.9Å; I557-F569 HydrophobicContact CG2-CG 3.19Å; I557-F569 HydrophobicContact CG2-CZ 4.06Å; A561-F569 HydrophobicContact CB-CD2 3.96Å; A561-F569 HydrophobicContact CB-CE2 3.7Å; R567-F569 HydrophobicContact CG-CD2 4.06Å; R567-F569 HydrophobicContact CG-CE2 3.68Å; R567-F569 HydrophobicContact CG-CZ 4.35Å; F569-V571 HydrophobicContact CB-CG2 4.43Å; F569-G624 PolarHBondContact N-O 2.96Å; F569-L625 HydrophobicContact CB-CD1 4.33Å; F569-I626 PolarHBondContact O-N 3.36Å; F569-R656 WeakPolarHBondContact CA-O 3.37Å; F569-R656 HydrophobicContact CD1-CB 3.56Å; F569-R656 HydrophobicContact CE1-CB 3.45Å; F569-R656 VanDerWaalsContact CE1-CB 3.45Å; F569-R656 HydrophobicContact CE1-CG 4.05Å; F569-R656 HydrophobicContact CG-CB 4.28Å; F569-R656 HydrophobicContact CZ-CB 4.08Å; F569-R656 HydrophobicContact CZ-CG 4.26Å; F569-N658 WeakPolarHBondContact CD1-OD1 3.5Å
570I97.3Very high90.4Very high0 Ų036.3 Ų36.30%020%0.204CC..EExtended strand (participates in β ladder)trans-105.6114.8169.9-56.4173.5000107.1I626 T638 L641 F642 Y645 C655 R656 N658I570-I626 WeakPolarHBondContact CA-O 3.34Å; I570-I626 HydrophobicContact CG1-CB 4.22Å; I570-I626 HydrophobicContact CG2-CG2 4.47Å; I570-T638 HydrophobicContact CG2-CG2 3.69Å; I570-L641 HydrophobicContact CD1-CB 3.98Å; I570-F642 HydrophobicContact CD1-CB 4.18Å; I570-Y645 HydrophobicContact CD1-CD2 4.46Å; I570-Y645 HydrophobicContact CD1-CG 4.23Å; I570-C655 VanDerWaalsContact CD1-SG 3.6Å; I570-R656 PolarHBondContact N-O 3.1Å; I570-N658 PolarHBondContact O-N 2.99Å
571V97.9Very high90.9Very high0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-109.9115.8-175.1-176.90000109I557 F569 L625 I626 L627 R628 N658 L660I557-V571 HydrophobicContact CD1-CG2 3.93Å; F569-V571 HydrophobicContact CB-CG2 4.43Å; V571-L625 HydrophobicContact CG2-CD1 3.75Å; V571-I626 PolarHBondContact N-O 2.92Å; V571-L627 CarbonylContact O-C 3.59Å; V571-L627 WeakPolarHBondContact O-CA 3.26Å; V571-R628 PolarHBondContact O-N 3.5Å; V571-N658 CarbonylContact C-O 3.56Å; V571-N658 VanDerWaalsContact CA-O 3.31Å; V571-N658 WeakPolarHBondContact CA-O 3.2Å; V571-N658 HydrophobicContact CG2-CB 4.43Å; V571-L660 HydrophobicContact CG1-CD1 3.69Å; V571-L660 HydrophobicContact CG1-CD2 3.95Å; V571-L660 HydrophobicContact CG1-CG 3.64Å
572E98.3Very high91.7Very high37 Ų3733.1 Ų33.117%0.17318%0.182CC..EExtended strand (participates in β ladder)trans-84.4129172.8-170.8-177.498.700110.4R628 E630 T638 N658 V659 L660E572-R628 CarbonylContact C-O 3.53Å; E572-R628 WeakPolarHBondContact CA-O 3.24Å; E572-R628 IonicContact OE2-NH1 2.7Å; E572-R628 PolarHBondContact OE2-NH1 3.46Å; E572-E630 HydrophobicContact CG-CB 4.31Å; E572-T638 HydrophobicContact CB-CG2 4.17Å; E572-T638 WeakPolarHBondContact OE2-CB 3.34Å; E572-T638 PolarHBondContact OE2-OG1 2.91Å; E572-N658 PolarHBondContact N-O 3.15Å; E572-V659 HydrophobicContact CB-CB 4.43Å; E572-V659 HydrophobicContact CB-CG1 4.38Å; E572-V659 HydrophobicContact CB-CG2 4.08Å; E572-V659 WeakPolarHBondContact OE1-CG1 3.48Å; E572-L660 PolarHBondContact O-N 2.95Å
573T98.1Very high92.7Very high1 Ų130.2 Ų30.21%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-111.9149.3177.356.50000110.4I550 A582 L627 R628 E630 L660 Q664I550-T573 HydrophobicContact CD1-CG2 4.2Å; I550-T573 HydrophobicContact CG2-CG2 3.91Å; T573-A582 WeakPolarHBondContact OG1-CB 3.31Å; T573-L627 HydrophobicContact CG2-CD2 4.01Å; T573-R628 PolarHBondContact N-O 3.32Å; T573-R628 PolarHBondContact OG1-O 3.03Å; T573-E630 PolarHBondContact O-N 2.85Å; T573-L660 HydrophobicContact CG2-CD1 4.49Å; T573-Q664 VanDerWaalsContact CA-OE1 3.25Å
574M97.2Very high94Very high20 Ų2027 Ų2710%0.09912%0.123CC..  trans-68.6175.4170.5-78.9172.490.200110.4L581 N629 G661 Q664M574-L581 HydrophobicContact CB-CD1 4.44Å; M574-N629 PolarHBondContact O-ND2 2.93Å; M574-G661 VanDerWaalsContact SD-O 3.4Å; M574-Q664 VanDerWaalsContact CG-NE2 3.27Å; M574-Q664 VanDerWaalsContact N-NE2 3.14Å; M574-Q664 HydrophobicContact SD-CB 4.14Å
575G95.6Very high95.2Very high0 Ų024.6 Ų24.60%011%0.108CC..  trans148.4-2.4171.800000113.4Y577 C578 E630G575-Y577 PolarHBondContact O-N 2.96Å; G575-C578 WeakPolarHBondContact O-CA 3.4Å; G575-C578 VanDerWaalsContact O-CB 3.26Å; G575-C578 WeakPolarHBondContact O-CB 3.31Å; G575-C578 PolarHBondContact O-N 3.42Å; G575-E630 PolarHBondContact N-OE1 3.14Å
576G96.5Very high96.4Very high19 Ų1915.5 Ų15.520%0.1967%0.069CC..THydrogen-bonded Turntrans54.3-129.5-161.200000108.6C578 N629 E630 N631G576-C578 VanDerWaalsContact C-N 3.3Å; G576-N629 PolarHBondContact O-ND2 3.45Å; G576-N629 PolarHBondContact O-OD1 3.43Å; G576-E630 WeakPolarHBondContact CA-OE1 3.47Å; G576-E630 PolarHBondContact N-OE1 2.88Å; G576-N631 WeakPolarHBondContact O-CB 3.26Å
577Y97.3Very high96.8Very high83 Ų8311 Ų1133%0.3255%0.052SC..THydrogen-bonded Turntrans-83.3-0.3173.1-65.6-80.7000114.1G575 Y597 N631 H735G575-Y577 PolarHBondContact O-N 2.96Å; Y577-Y597 HydrophobicContact CD1-CD1 4.22Å; Y577-Y597 AromaticContact CD1-CD2 3.44Å; Y577-Y597 HydrophobicContact CD1-CD2 3.44Å; Y577-Y597 VanDerWaalsContact CD1-CD2 3.44Å; Y577-Y597 AromaticContact CD1-CE2 3.78Å; Y577-Y597 HydrophobicContact CD1-CE2 3.78Å; Y577-Y597 AromaticContact CD1-CG 3.68Å; Y577-Y597 HydrophobicContact CD1-CG 3.68Å; Y577-Y597 AromaticContact CE1-CD2 3.98Å; Y577-Y597 HydrophobicContact CE1-CD2 3.98Å; Y577-Y597 HydrophobicContact CE1-CE2 4.03Å; Y577-Y597 HydrophobicContact CG-CD2 4.5Å; Y577-Y597 HydrophobicContact CG-CG 4.38Å; Y577-Y597 WeakPolarHBondContact O-CB 3.42Å; Y577-N631 HydrophobicContact CD1-CB 3.6Å; Y577-N631 VanDerWaalsContact CD1-O 3.3Å; Y577-N631 WeakPolarHBondContact CD1-O 3.48Å; Y577-N631 HydrophobicContact CD2-CB 4.34Å; Y577-N631 HydrophobicContact CE1-CB 3.62Å; Y577-N631 WeakPolarHBondContact CE1-O 3.45Å; Y577-N631 HydrophobicContact CE2-CB 4.36Å; Y577-N631 HydrophobicContact CG-CB 3.99Å; Y577-H735 AromaticContact CD1-CD2 3.9Å; Y577-H735 HydrophobicContact CD2-CB 3.96Å; Y577-H735 VanDerWaalsContact CD2-O 3.31Å; Y577-H735 WeakPolarHBondContact CD2-O 3.3Å; Y577-H735 AromaticContact CE1-CD2 3.86Å; Y577-H735 HydrophobicContact CG-CB 3.93Å; Y577-H735 AromaticContact CZ-CD2 3.97Å
578C97.8Very high97.1Very high0 Ų09.1 Ų9.10%05%0.045CC..  trans-88.4114177.1-173.40000111.1S531 N533 G575 G576 Y580 E598 N629 I737 Q741S531-C578 PolarHBondContact O-SG 3.25Å; N533-C578 HydrophobicContact CB-CB 3.77Å; G575-C578 WeakPolarHBondContact O-CA 3.4Å; G575-C578 VanDerWaalsContact O-CB 3.26Å; G575-C578 WeakPolarHBondContact O-CB 3.31Å; G575-C578 PolarHBondContact O-N 3.42Å; G576-C578 VanDerWaalsContact C-N 3.3Å; C578-Y580 PolarHBondContact O-N 3.29Å; C578-E598 VanDerWaalsContact CA-OE1 3.31Å; C578-E598 WeakPolarHBondContact CA-OE1 3.11Å; C578-N629 PolarHBondContact O-ND2 3.44Å; C578-I737 HydrophobicContact CB-CG2 3.83Å; C578-Q741 PolarHBondContact SG-NE2 2.81Å
579G97.5Very high97.1Very high0 Ų09.2 Ų9.20%05%0.046CC..THydrogen-bonded Turntrans-76.56.8178.700000115.9L581 A582 T583 I596 E598G579-L581 PolarHBondContact O-N 3.3Å; G579-A582 PolarHBondContact O-N 3Å; G579-T583 WeakPolarHBondContact O-CB 3.35Å; G579-T583 PolarHBondContact O-N 3.02Å; G579-T583 PolarHBondContact O-OG1 2.78Å; G579-I596 VanDerWaalsContact CA-CG2 3.49Å; G579-E598 PolarHBondContact N-OE1 3.07Å; G579-E598 PolarHBondContact N-OE2 3.24Å
580Y97.7Very high97Very high7 Ų79.7 Ų9.73%0.0275%0.054CC..Hα-helixtrans-54.3-53.3-176.2175.3-101.9000111.9N532 A543 C578 T583 M584 W742 W743N532-Y580 HydrophobicContact CB-CD1 3.57Å; N532-Y580 HydrophobicContact CB-CD2 4.39Å; N532-Y580 HydrophobicContact CB-CE1 4.02Å; N532-Y580 HydrophobicContact CB-CG 3.79Å; N532-Y580 WeakPolarHBondContact ND2-CE2 3.34Å; A543-Y580 HydrophobicContact CB-CE1 4.03Å; C578-Y580 PolarHBondContact O-N 3.29Å; Y580-T583 PolarHBondContact O-N 2.81Å; Y580-M584 HydrophobicContact CD2-CG 3.7Å; Y580-M584 HydrophobicContact CE1-CG 4.39Å; Y580-M584 HydrophobicContact CE2-CG 3.47Å; Y580-M584 VanDerWaalsContact CE2-CG 3.47Å; Y580-M584 HydrophobicContact CE2-SD 4.37Å; Y580-M584 HydrophobicContact CG-CG 4.29Å; Y580-M584 WeakPolarHBondContact O-CB 3.46Å; Y580-M584 VanDerWaalsContact O-CG 3.28Å; Y580-M584 WeakPolarHBondContact O-CG 3.35Å; Y580-M584 PolarHBondContact O-N 3.34Å; Y580-W742 HydrophobicContact CE2-CH2 4.41Å; Y580-W742 AromaticContact CE2-CZ2 3.77Å; Y580-W742 HydrophobicContact CE2-CZ2 3.77Å; Y580-W743 HydrophobicContact CD2-CB 4.19Å; Y580-W743 AromaticContact CD2-CD1 3.42Å; Y580-W743 VanDerWaalsContact CD2-CD1 3.42Å; Y580-W743 HydrophobicContact CD2-CD2 4.04Å; Y580-W743 AromaticContact CD2-CG 3.62Å; Y580-W743 HydrophobicContact CD2-CG 3.62Å; Y580-W743 AromaticContact CD2-NE1 3.68Å; Y580-W743 HydrophobicContact CE2-CB 4.43Å; Y580-W743 HydrophobicContact CE2-CG 4.28Å
581L98Very high96.9Very high0 Ų09.8 Ų9.80%06%0.055CC..Hα-helixtrans-62.5-47.5-177.6-69.5178.5000111.8V530 A546 L547 I550 M574 G579 T583 A585V530-L581 HydrophobicContact CB-CD1 4.38Å; V530-L581 HydrophobicContact CG2-CD1 4.43Å; V530-L581 WeakPolarHBondContact O-CD1 3.43Å; V530-L581 WeakPolarHBondContact O-CD2 3.49Å; V530-L581 WeakPolarHBondContact O-CG 3.48Å; A546-L581 HydrophobicContact CB-CD1 4.37Å; A546-L581 HydrophobicContact CB-CD2 3.88Å; L547-L581 HydrophobicContact CB-CD2 4.49Å; I550-L581 HydrophobicContact CD1-CB 3.84Å; I550-L581 HydrophobicContact CD1-CD1 4.11Å; I550-L581 HydrophobicContact CD1-CD2 4.02Å; I550-L581 HydrophobicContact CD1-CG 4.21Å; M574-L581 HydrophobicContact CB-CD1 4.44Å; G579-L581 PolarHBondContact O-N 3.3Å; L581-T583 VanDerWaalsContact C-N 3.32Å; L581-T583 PolarHBondContact O-N 3.5Å; L581-A585 WeakPolarHBondContact O-CB 3.42Å; L581-A585 PolarHBondContact O-N 2.91Å
582A97.6Very high96.7Very high0 Ų010.3 Ų10.30%06%0.058CC..Hα-helixtrans-59.4-42.7177.500000112.2T573 G579 G586 I596 L627 N629T573-A582 WeakPolarHBondContact OG1-CB 3.31Å; G579-A582 PolarHBondContact O-N 3Å; A582-G586 WeakPolarHBondContact O-CA 3.46Å; A582-G586 PolarHBondContact O-N 3.14Å; A582-I596 HydrophobicContact CB-CG2 3.83Å; A582-L627 HydrophobicContact CB-CB 4.46Å; A582-L627 WeakPolarHBondContact O-CD2 3.43Å; A582-N629 HydrophobicContact CB-CB 3.96Å
583T97.2Very high96.5Very high2 Ų28.9 Ų8.91%0.0125%0.053CC..Hα-helixtrans-71.8-52.3-177.4-59.50000111.5G579 Y580 L581 G586 L587 W743 R747G579-T583 WeakPolarHBondContact O-CB 3.35Å; G579-T583 PolarHBondContact O-N 3.02Å; G579-T583 PolarHBondContact O-OG1 2.78Å; Y580-T583 PolarHBondContact O-N 2.81Å; L581-T583 VanDerWaalsContact C-N 3.32Å; L581-T583 PolarHBondContact O-N 3.5Å; T583-G586 PolarHBondContact O-N 3.45Å; T583-L587 PolarHBondContact O-N 3.15Å; T583-W743 HydrophobicContact CG2-CE3 3.96Å; T583-W743 HydrophobicContact CG2-CZ3 4.23Å; T583-W743 VanDerWaalsContact OG1-CZ3 3.31Å; T583-W743 WeakPolarHBondContact OG1-CZ3 3.33Å; T583-R747 HydrophobicContact CG2-CG 3.63Å; T583-R747 PolarHBondContact OG1-NH1 3.25Å
584M97.1Very high96.5Very high6 Ų69 Ų93%0.035%0.054CC..Hα-helixtrans-69.4-40.2-175.6-62.7-56.7-71.500111.5V313 L547 Y580 G586 L587 A588 W742 W743V313-M584 HydrophobicContact CG1-CE 3.73Å; V313-M584 HydrophobicContact CG2-CE 4.26Å; L547-M584 HydrophobicContact CD1-CB 3.77Å; L547-M584 HydrophobicContact CD2-CB 4Å; Y580-M584 HydrophobicContact CD2-CG 3.7Å; Y580-M584 HydrophobicContact CE1-CG 4.39Å; Y580-M584 HydrophobicContact CE2-CG 3.47Å; Y580-M584 VanDerWaalsContact CE2-CG 3.47Å; Y580-M584 HydrophobicContact CE2-SD 4.37Å; Y580-M584 HydrophobicContact CG-CG 4.29Å; Y580-M584 WeakPolarHBondContact O-CB 3.46Å; Y580-M584 VanDerWaalsContact O-CG 3.28Å; Y580-M584 WeakPolarHBondContact O-CG 3.35Å; Y580-M584 PolarHBondContact O-N 3.34Å; M584-G586 VanDerWaalsContact C-N 3.31Å; M584-L587 PolarHBondContact O-N 3.05Å; M584-A588 WeakPolarHBondContact O-CB 3.35Å; M584-A588 PolarHBondContact O-N 3Å; M584-W742 HydrophobicContact CE-CH2 3.79Å; M584-W742 HydrophobicContact CE-CZ3 4.42Å; M584-W742 HydrophobicContact SD-CH2 4.35Å; M584-W743 HydrophobicContact SD-CB 4.06Å
585A97.3Very high96.5Very high0 Ų08.4 Ų8.40%05%0.05CC..Hα-helixtrans-68.6-34.617400000111.2L547 I550 L581 L587 A588 A589 L627L547-A585 VanDerWaalsContact CD1-CA 3.47Å; L547-A585 HydrophobicContact CD1-CB 3.68Å; I550-A585 HydrophobicContact CB-CB 4.03Å; I550-A585 HydrophobicContact CG2-CB 3.42Å; I550-A585 VanDerWaalsContact CG2-CB 3.42Å; L581-A585 WeakPolarHBondContact O-CB 3.42Å; L581-A585 PolarHBondContact O-N 2.91Å; A585-L587 VanDerWaalsContact C-N 3.34Å; A585-L587 PolarHBondContact O-N 3.24Å; A585-A588 PolarHBondContact O-N 2.94Å; A585-A589 WeakPolarHBondContact O-CB 3.3Å; A585-A589 PolarHBondContact O-N 2.99Å; A585-L627 HydrophobicContact CB-CD2 3.68Å
586G96.4Very high96.6Very high0 Ų08.4 Ų8.40%05%0.05CC..Hα-helixtrans-60-45.4174.400000111.6A582 T583 M584 G590 A591A582-G586 WeakPolarHBondContact O-CA 3.46Å; A582-G586 PolarHBondContact O-N 3.14Å; T583-G586 PolarHBondContact O-N 3.45Å; M584-G586 VanDerWaalsContact C-N 3.31Å; G586-G590 WeakPolarHBondContact O-CA 3.48Å; G586-G590 PolarHBondContact O-N 3.04Å; G586-A591 PolarHBondContact O-N 3.2Å
587L95.9Very high96.6Very high4 Ų49.6 Ų9.62%0.0215%0.049CC..Hα-helixtrans-64.3-47.4174.3-177.661.6000112.2V313 T583 M584 A585 A589 G590 I746 M750 L753V313-L587 HydrophobicContact CB-CD2 4.47Å; V313-L587 HydrophobicContact CG1-CD2 3.96Å; V313-L587 HydrophobicContact CG2-CD2 4.18Å; V313-L587 HydrophobicContact CG2-CG 4.31Å; T583-L587 PolarHBondContact O-N 3.15Å; M584-L587 PolarHBondContact O-N 3.05Å; A585-L587 VanDerWaalsContact C-N 3.34Å; A585-L587 PolarHBondContact O-N 3.24Å; L587-A589 PolarHBondContact O-N 2.68Å; L587-G590 PolarHBondContact O-N 2.68Å; L587-I746 HydrophobicContact CD2-CG2 3.54Å; L587-M750 HydrophobicContact CD1-CB 4.44Å; L587-L753 HydrophobicContact CD1-CD1 3.8Å
588A96.7Very high96.5Very high0 Ų07.8 Ų7.80%04%0.044CC..Hα-helixtrans-66.6-34.3-178.500000113.4A309 R312 V313 T551 M584 A585A309-A588 HydrophobicContact CB-CB 4.18Å; R312-A588 HydrophobicContact CB-CB 4.29Å; R312-A588 WeakPolarHBondContact CD-O 3.37Å; V313-A588 HydrophobicContact CG2-CB 3.95Å; T551-A588 HydrophobicContact CG2-CB 3.92Å; M584-A588 WeakPolarHBondContact O-CB 3.35Å; M584-A588 PolarHBondContact O-N 3Å; A585-A588 PolarHBondContact O-N 2.94Å
589A95.6Very high96.2Very high2 Ų210.4 Ų10.42%0.0176%0.058CC..Hα-helixtrans-88.4-16.5179.200000113C554 K558 A585 L587 L625C554-A589 HydrophobicContact CB-CB 3.65Å; K558-A589 PolarHBondContact NZ-O 3.39Å; A585-A589 WeakPolarHBondContact O-CB 3.3Å; A585-A589 PolarHBondContact O-N 2.99Å; L587-A589 PolarHBondContact O-N 2.68Å; A589-L625 HydrophobicContact CB-CD2 3.8Å
590G94.3Very high96Very high22 Ų2217 Ų1723%0.2279%0.086CC..THydrogen-bonded Turntrans73.746-175.600000112.4L79 G586 L587L79-G590 VanDerWaalsContact CD1-CA 3.45Å; G586-G590 WeakPolarHBondContact O-CA 3.48Å; G586-G590 PolarHBondContact O-N 3.04Å; L587-G590 PolarHBondContact O-N 2.68Å
591A95.1Very high95.8Very high3 Ų317.8 Ų17.83%0.0259%0.09CC..  trans-68151.117700000112.2G586 L625 L627G586-A591 PolarHBondContact O-N 3.2Å; A591-L625 HydrophobicContact CB-CD2 4.16Å; A591-L625 HydrophobicContact CB-CG 4.15Å; A591-L627 HydrophobicContact CB-CD1 3.31Å
592D94.1Very high95.6Very high10 Ų1020 Ų205%0.05311%0.105CC..SBendtrans-81.4-29.3178.1-64-67.4000111.8L613 K616 G624 L625 I626 Y756D592-L613 HydrophobicContact CB-CD2 3.77Å; D592-K616 IonicContact OD1-NZ 3.06Å; D592-K616 PolarHBondContact OD1-NZ 2.82Å; D592-K616 IonicContact OD2-NZ 2.75Å; D592-K616 PolarHBondContact OD2-NZ 3.25Å; D592-G624 VanDerWaalsContact OD2-CA 3.25Å; D592-G624 WeakPolarHBondContact OD2-CA 3.45Å; D592-L625 PolarHBondContact N-O 3.04Å; D592-L625 PolarHBondContact OD2-N 3.28Å; D592-I626 HydrophobicContact CB-CD1 4.08Å; D592-Y756 WeakPolarHBondContact O-CE2 3.42Å; D592-Y756 PolarHBondContact O-OH 2.84Å
593A94.5Very high95.4Very high8 Ų823.4 Ų23.47%0.06612%0.123CC..EExtended strand (participates in β ladder)trans-152.6153.1170.700000110Y595 I626 L627A593-Y595 HydrophobicContact CB-CE2 4.37Å; A593-I626 HydrophobicContact CB-CD1 3.64Å; A593-I626 WeakPolarHBondContact O-CA 3.22Å; A593-L627 PolarHBondContact O-N 3.43Å
594A96.4Very high95.1Very high4 Ų431.3 Ų31.33%0.03316%0.157CC..EExtended strand (participates in β ladder)trans-132.6117.2168.600000109.9L627 R747 M750A594-L627 CarbonylContact C-O 3.03Å; A594-L627 VanDerWaalsContact CA-O 3.24Å; A594-L627 WeakPolarHBondContact CA-O 3.42Å; A594-L627 HydrophobicContact CB-CB 4.23Å; A594-R747 PolarHBondContact O-NH1 2.93Å; A594-R747 PolarHBondContact O-NH2 3.46Å; A594-M750 HydrophobicContact CB-CE 3.75Å; A594-M750 HydrophobicContact CB-SD 3.84Å
595Y97.4Very high94.9Very high7 Ų734.6 Ų34.63%0.02718%0.175CC..EExtended strand (participates in β ladder)trans-92.9126.8179.1-59.6-67.7000110.8A593 F601 L606 N609 I626 L627 N629 L641 Y645A593-Y595 HydrophobicContact CB-CE2 4.37Å; Y595-F601 HydrophobicContact CD1-CD1 4.03Å; Y595-F601 AromaticContact CD1-CD2 3.86Å; Y595-F601 HydrophobicContact CD1-CD2 3.86Å; Y595-F601 HydrophobicContact CD1-CE1 4.13Å; Y595-F601 AromaticContact CD1-CE2 3.94Å; Y595-F601 HydrophobicContact CD1-CE2 3.94Å; Y595-F601 AromaticContact CD1-CG 3.9Å; Y595-F601 HydrophobicContact CD1-CG 3.9Å; Y595-F601 HydrophobicContact CD1-CZ 4.08Å; Y595-F601 HydrophobicContact CE1-CD2 4.18Å; Y595-F601 HydrophobicContact CE1-CE2 4.47Å; Y595-F601 HydrophobicContact CE1-CG 4.42Å; Y595-F601 HydrophobicContact CG-CE1 4.39Å; Y595-F601 HydrophobicContact CG-CE2 4.35Å; Y595-F601 HydrophobicContact CG-CZ 4.2Å; Y595-L606 HydrophobicContact CD1-CD2 4.13Å; Y595-L606 HydrophobicContact CE1-CD2 3.39Å; Y595-L606 HydrophobicContact CE2-CD2 4.09Å; Y595-L606 VanDerWaalsContact OH-CD2 3.28Å; Y595-L606 WeakPolarHBondContact OH-CD2 3.38Å; Y595-N609 WeakPolarHBondContact CE1-ND2 3.11Å; Y595-N609 WeakPolarHBondContact OH-CB 3.15Å; Y595-N609 PolarHBondContact OH-ND2 3.4Å; Y595-I626 HydrophobicContact CD2-CG2 3.81Å; Y595-I626 HydrophobicContact CE2-CG2 3.47Å; Y595-I626 VanDerWaalsContact CE2-CG2 3.47Å; Y595-L627 PolarHBondContact N-O 3.44Å; Y595-N629 PolarHBondContact O-N 3.12Å; Y595-L641 HydrophobicContact CD2-CD2 3.4Å; Y595-L641 HydrophobicContact CE2-CD2 3.27Å; Y595-L641 HydrophobicContact CG-CD2 4.28Å; Y595-Y645 PolarHBondContact OH-OH 3.1Å
596I97.1Very high94.7Very high0 Ų034.6 Ų34.60%018%0.175CC..  trans-137.9167.4-175.767.4168.6000110.6G579 A582 E598 D599 N629 C632 W743 L744 R747G579-I596 VanDerWaalsContact CA-CG2 3.49Å; A582-I596 HydrophobicContact CB-CG2 3.83Å; I596-E598 WeakPolarHBondContact CB-OE2 3.43Å; I596-E598 HydrophobicContact CD1-CB 3.99Å; I596-E598 WeakPolarHBondContact CD1-OE2 3.43Å; I596-D599 HydrophobicContact CD1-CB 3.96Å; I596-D599 HydrophobicContact CG1-CB 3.65Å; I596-N629 HydrophobicContact CG2-CB 4.31Å; I596-C632 VanDerWaalsContact C-CB 3.43Å; I596-W743 HydrophobicContact CD1-CH2 3.93Å; I596-W743 HydrophobicContact CD1-CZ3 3.76Å; I596-L744 HydrophobicContact CD1-CD2 3.84Å; I596-R747 VanDerWaalsContact CD1-CZ 3.46Å; I596-R747 VanDerWaalsContact CD1-NH1 3.33Å
597Y96.8Very high94.5Very high44 Ų4437.7 Ų37.717%0.17319%0.194CC..SBendtrans-74.5-36.5-178.5174.2-101.1000112.4Y577 D599 K600 H735 I737Y577-Y597 HydrophobicContact CD1-CD1 4.22Å; Y577-Y597 AromaticContact CD1-CD2 3.44Å; Y577-Y597 HydrophobicContact CD1-CD2 3.44Å; Y577-Y597 VanDerWaalsContact CD1-CD2 3.44Å; Y577-Y597 AromaticContact CD1-CE2 3.78Å; Y577-Y597 HydrophobicContact CD1-CE2 3.78Å; Y577-Y597 AromaticContact CD1-CG 3.68Å; Y577-Y597 HydrophobicContact CD1-CG 3.68Å; Y577-Y597 AromaticContact CE1-CD2 3.98Å; Y577-Y597 HydrophobicContact CE1-CD2 3.98Å; Y577-Y597 HydrophobicContact CE1-CE2 4.03Å; Y577-Y597 HydrophobicContact CG-CD2 4.5Å; Y577-Y597 HydrophobicContact CG-CG 4.38Å; Y577-Y597 WeakPolarHBondContact O-CB 3.42Å; Y597-D599 VanDerWaalsContact C-N 3.31Å; Y597-D599 PolarHBondContact O-N 3.17Å; Y597-K600 PolarHBondContact O-NZ 3.48Å; Y597-H735 HydrophobicContact CE1-CB 4.31Å; Y597-H735 AromaticContact CE1-CD2 3.96Å; Y597-H735 AromaticContact CE1-CG 3.94Å; Y597-H735 AromaticContact CE2-CD2 3.85Å; Y597-H735 AromaticContact CZ-CD2 3.37Å; Y597-H735 AromaticContact CZ-CG 3.78Å; Y597-H735 AromaticContact CZ-NE2 3.5Å; Y597-H735 PolarHBondContact OH-CD2 3.18Å; Y597-H735 PolarHBondContact OH-CE1 3.34Å; Y597-H735 PolarHBondContact OH-NE2 2.73Å; Y597-I737 HydrophobicContact CD1-CD1 4.11Å; Y597-I737 HydrophobicContact CE1-CD1 4.22Å
598E95.1Very high94.4Very high45 Ų4540.1 Ų40.121%0.2121%0.214CC..SBendtrans-71.9-25.2-174.3-55.692.5144.900112.7C578 G579 I596 I737 Q741 W743 L744C578-E598 VanDerWaalsContact CA-OE1 3.31Å; C578-E598 WeakPolarHBondContact CA-OE1 3.11Å; G579-E598 PolarHBondContact N-OE1 3.07Å; G579-E598 PolarHBondContact N-OE2 3.24Å; I596-E598 WeakPolarHBondContact CB-OE2 3.43Å; I596-E598 HydrophobicContact CD1-CB 3.99Å; I596-E598 WeakPolarHBondContact CD1-OE2 3.43Å; E598-I737 HydrophobicContact CG-CD1 4.49Å; E598-Q741 PolarHBondContact OE1-OE1 3.03Å; E598-W743 HydrophobicContact CG-CH2 4.43Å; E598-W743 WeakPolarHBondContact OE1-CH2 3.15Å; E598-W743 VanDerWaalsContact OE1-CZ2 3.29Å; E598-W743 WeakPolarHBondContact OE1-CZ2 3.2Å; E598-L744 HydrophobicContact CB-CD1 4.29Å; E598-L744 HydrophobicContact CB-CD2 3.71Å; E598-L744 HydrophobicContact CG-CD2 4.28Å
599D92.5Very high94.2Very high54 Ų5441.1 Ų41.129%0.28922%0.22SC..SBendtrans-110.589178-173.615.3000108.4I596 Y597 F601 R747 K751I596-D599 HydrophobicContact CD1-CB 3.96Å; I596-D599 HydrophobicContact CG1-CB 3.65Å; Y597-D599 VanDerWaalsContact C-N 3.31Å; Y597-D599 PolarHBondContact O-N 3.17Å; D599-F601 PolarHBondContact O-N 3.42Å; D599-R747 IonicContact OD2-CZ 2.76Å; D599-R747 IonicContact OD2-NE 3.07Å; D599-R747 PolarHBondContact OD2-NE 3.01Å; D599-R747 IonicContact OD2-NH2 3.31Å; D599-R747 PolarHBondContact OD2-NH2 3.34Å; D599-K751 IonicContact OD2-NZ 3.06Å
600K92.3Very high94.2Very high139 Ų13941.2 Ų41.260%0.60422%0.22SC*.  trans-60.5133.1-176.7-60.6-63.7-179.2-167.70110Y597Y597-K600 PolarHBondContact O-NZ 3.48Å
601F93.8Very high94.1Very high24 Ų2442.6 Ų42.611%0.10523%0.229CC..  trans-131.2151.2179.761.6-83.5000110.8Y595 D599 D605 L606 C632 N633 Y636Y595-F601 HydrophobicContact CD1-CD1 4.03Å; Y595-F601 AromaticContact CD1-CD2 3.86Å; Y595-F601 HydrophobicContact CD1-CD2 3.86Å; Y595-F601 HydrophobicContact CD1-CE1 4.13Å; Y595-F601 AromaticContact CD1-CE2 3.94Å; Y595-F601 HydrophobicContact CD1-CE2 3.94Å; Y595-F601 AromaticContact CD1-CG 3.9Å; Y595-F601 HydrophobicContact CD1-CG 3.9Å; Y595-F601 HydrophobicContact CD1-CZ 4.08Å; Y595-F601 HydrophobicContact CE1-CD2 4.18Å; Y595-F601 HydrophobicContact CE1-CE2 4.47Å; Y595-F601 HydrophobicContact CE1-CG 4.42Å; Y595-F601 HydrophobicContact CG-CE1 4.39Å; Y595-F601 HydrophobicContact CG-CE2 4.35Å; Y595-F601 HydrophobicContact CG-CZ 4.2Å; D599-F601 PolarHBondContact O-N 3.42Å; F601-D605 HydrophobicContact CB-CB 4.18Å; F601-L606 HydrophobicContact CD2-CD2 3.72Å; F601-L606 HydrophobicContact CD2-CG 4.1Å; F601-L606 HydrophobicContact CE2-CD1 4.42Å; F601-L606 HydrophobicContact CE2-CD2 3.83Å; F601-L606 HydrophobicContact CE2-CG 4.38Å; F601-C632 HydrophobicContact CE1-CB 4.14Å; F601-N633 HydrophobicContact CE1-CB 4.41Å; F601-N633 HydrophobicContact CZ-CB 4Å; F601-Y636 AromaticContact CD2-CD2 3.93Å; F601-Y636 HydrophobicContact CD2-CD2 3.93Å; F601-Y636 HydrophobicContact CD2-CE2 4.42Å; F601-Y636 AromaticContact CE2-CD2 3.42Å; F601-Y636 HydrophobicContact CE2-CD2 3.42Å; F601-Y636 VanDerWaalsContact CE2-CD2 3.42Å; F601-Y636 HydrophobicContact CE2-CE2 4.32Å; F601-Y636 HydrophobicContact CE2-CG 4.04Å; F601-Y636 HydrophobicContact CZ-CD2 4.07Å
602S93.8Very high94Very high45 Ų4544.2 Ų44.232%0.31524%0.236SC..  trans-115.1174-17972.60000111.3K604 D605 L606S602-K604 PolarHBondContact O-N 3.22Å; S602-K604 PolarHBondContact OG-N 2.98Å; S602-D605 WeakPolarHBondContact CB-OD2 3.41Å; S602-D605 PolarHBondContact N-OD2 3.34Å; S602-D605 WeakPolarHBondContact O-CB 3.3Å; S602-D605 PolarHBondContact O-N 2.96Å; S602-D605 VanDerWaalsContact O-N 3.1Å; S602-D605 PolarHBondContact OG-OD2 3.28Å; S602-L606 PolarHBondContact O-N 3.39Å; S602-L606 VanDerWaalsContact O-N 3.17Å
603I93.1Very high93.9Very high72 Ų7243.7 Ų43.737%0.36923%0.234SC..Hα-helixtrans-56.6-32.1172.2-166.160.9000112.5D605 L606 T607 F640 L644I603-D605 VanDerWaalsContact C-N 3.33Å; I603-D605 PolarHBondContact O-N 3.15Å; I603-L606 HydrophobicContact CD1-CB 4.47Å; I603-L606 HydrophobicContact CD1-CD1 4.14Å; I603-L606 PolarHBondContact O-N 3.4Å; I603-T607 PolarHBondContact O-N 3.17Å; I603-T607 PolarHBondContact O-OG1 2.89Å; I603-F640 HydrophobicContact CD1-CE1 4.32Å; I603-F640 HydrophobicContact CD1-CZ 4.03Å; I603-L644 HydrophobicContact CD1-CD2 4.01Å
604K92.6Very high93.9Very high169 Ų16944.2 Ų44.274%0.73524%0.236SC*.Hα-helixtrans-63.3-41177.7-65.2-177.8178.8178.70111.5S602 T607 A608S602-K604 PolarHBondContact O-N 3.22Å; S602-K604 PolarHBondContact OG-N 2.98Å; K604-T607 PolarHBondContact O-N 3Å; K604-A608 WeakPolarHBondContact O-CB 3.48Å; K604-A608 PolarHBondContact O-N 3.42Å
605D92.2Very high93.6Very high74 Ų7449.4 Ų49.440%0.39626%0.259SS..Hα-helixtrans-67.6-40.1177.9-54.9-68.7000111.1F601 S602 I603 A608 N609F601-D605 HydrophobicContact CB-CB 4.18Å; S602-D605 WeakPolarHBondContact CB-OD2 3.41Å; S602-D605 PolarHBondContact N-OD2 3.34Å; S602-D605 WeakPolarHBondContact O-CB 3.3Å; S602-D605 PolarHBondContact O-N 2.96Å; S602-D605 VanDerWaalsContact O-N 3.1Å; S602-D605 PolarHBondContact OG-OD2 3.28Å; I603-D605 VanDerWaalsContact C-N 3.33Å; I603-D605 PolarHBondContact O-N 3.15Å; D605-A608 PolarHBondContact O-N 3.05Å; D605-N609 PolarHBondContact O-N 2.85Å; D605-N609 PolarHBondContact O-ND2 3.05Å
606L93.9Very high93.3Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-61.2-49.4174.7-61.4-178.6000111.2Y595 F601 S602 I603 A608 N609 V610 Y636 F640 L641 L644Y595-L606 HydrophobicContact CD1-CD2 4.13Å; Y595-L606 HydrophobicContact CE1-CD2 3.39Å; Y595-L606 HydrophobicContact CE2-CD2 4.09Å; Y595-L606 VanDerWaalsContact OH-CD2 3.28Å; Y595-L606 WeakPolarHBondContact OH-CD2 3.38Å; F601-L606 HydrophobicContact CD2-CD2 3.72Å; F601-L606 HydrophobicContact CD2-CG 4.1Å; F601-L606 HydrophobicContact CE2-CD1 4.42Å; F601-L606 HydrophobicContact CE2-CD2 3.83Å; F601-L606 HydrophobicContact CE2-CG 4.38Å; S602-L606 PolarHBondContact O-N 3.39Å; S602-L606 VanDerWaalsContact O-N 3.17Å; I603-L606 HydrophobicContact CD1-CB 4.47Å; I603-L606 HydrophobicContact CD1-CD1 4.14Å; I603-L606 PolarHBondContact O-N 3.4Å; L606-A608 VanDerWaalsContact C-N 3.31Å; L606-A608 PolarHBondContact O-N 2.77Å; L606-N609 PolarHBondContact O-N 3.4Å; L606-V610 WeakPolarHBondContact O-CG2 3.39Å; L606-V610 PolarHBondContact O-N 3.38Å; L606-Y636 HydrophobicContact CD1-CD1 4.39Å; L606-Y636 HydrophobicContact CD1-CD2 4.45Å; L606-Y636 HydrophobicContact CD1-CG 4.26Å; L606-F640 HydrophobicContact CD1-CE1 3.88Å; L606-L641 HydrophobicContact CD2-CD2 4.17Å; L606-L644 HydrophobicContact CB-CD2 3.71Å; L606-L644 HydrophobicContact CD1-CD2 3.92Å; L606-L644 HydrophobicContact CG-CD2 4.42Å
607T92.1Very high92.9Very high65 Ų6551.1 Ų51.140%0.39927%0.267SS..Hα-helixtrans-60.6-40.9177.1-56.70000111.4I603 K604 N609 V610 A611I603-T607 PolarHBondContact O-N 3.17Å; I603-T607 PolarHBondContact O-OG1 2.89Å; K604-T607 PolarHBondContact O-N 3Å; T607-N609 PolarHBondContact O-N 2.78Å; T607-V610 PolarHBondContact O-N 3.48Å; T607-A611 WeakPolarHBondContact O-CB 3.48Å; T607-A611 PolarHBondContact O-N 3.36Å
608A92.5Very high92.5Very high55 Ų5555.1 Ų55.146%0.45529%0.285SS..Hα-helixtrans-61.8-42.2175.700000112.1K604 D605 L606 A611 H612K604-A608 WeakPolarHBondContact O-CB 3.48Å; K604-A608 PolarHBondContact O-N 3.42Å; D605-A608 PolarHBondContact O-N 3.05Å; L606-A608 VanDerWaalsContact C-N 3.31Å; L606-A608 PolarHBondContact O-N 2.77Å; A608-A611 PolarHBondContact O-N 3.01Å; A608-H612 WeakPolarHBondContact O-CB 3.34Å; A608-H612 PolarHBondContact O-N 3.48Å
609N93.5Very high92.1Very high22 Ų2255.4 Ų55.412%0.11829%0.29CS..Hα-helixtrans-67.1-37.5177.1-67.2-22.8000112.2Y595 D605 L606 T607 H612 L613 Y645 Y756Y595-N609 WeakPolarHBondContact CE1-ND2 3.11Å; Y595-N609 WeakPolarHBondContact OH-CB 3.15Å; Y595-N609 PolarHBondContact OH-ND2 3.4Å; D605-N609 PolarHBondContact O-N 2.85Å; D605-N609 PolarHBondContact O-ND2 3.05Å; L606-N609 PolarHBondContact O-N 3.4Å; T607-N609 PolarHBondContact O-N 2.78Å; N609-H612 WeakPolarHBondContact O-CB 3.38Å; N609-H612 PolarHBondContact O-N 2.82Å; N609-L613 PolarHBondContact O-N 3.27Å; N609-Y645 WeakPolarHBondContact CB-OH 3.27Å; N609-Y756 WeakPolarHBondContact OD1-CE1 3.33Å; N609-Y756 PolarHBondContact OD1-OH 2.97Å
610V94.3Very high91.7Very high4 Ų458.2 Ų58.22%0.02431%0.309CS..Hα-helixtrans-64.6-48.41731760000110.6L606 T607 H612 L613 V614 Y645 E648 F653L606-V610 WeakPolarHBondContact O-CG2 3.39Å; L606-V610 PolarHBondContact O-N 3.38Å; T607-V610 PolarHBondContact O-N 3.48Å; V610-H612 VanDerWaalsContact C-N 3.27Å; V610-H612 PolarHBondContact O-N 3.29Å; V610-L613 PolarHBondContact O-N 2.74Å; V610-L613 VanDerWaalsContact O-N 3.1Å; V610-V614 HydrophobicContact CG1-CG2 4.28Å; V610-V614 WeakPolarHBondContact O-CG2 3.3Å; V610-V614 PolarHBondContact O-N 3.01Å; V610-Y645 HydrophobicContact CG2-CD1 3.89Å; V610-Y645 HydrophobicContact CG2-CD2 3.55Å; V610-Y645 HydrophobicContact CG2-CE1 3.85Å; V610-Y645 HydrophobicContact CG2-CE2 3.51Å; V610-Y645 HydrophobicContact CG2-CG 3.76Å; V610-E648 HydrophobicContact CG1-CB 3.67Å; V610-F653 HydrophobicContact CG1-CZ 4.39Å
611A93.2Very high91.2Very high51 Ų5152 Ų5242%0.42128%0.283SS..Hα-helixtrans-58.2-41.3177.500000111.6T607 A608 V614 Q615T607-A611 WeakPolarHBondContact O-CB 3.48Å; T607-A611 PolarHBondContact O-N 3.36Å; A608-A611 PolarHBondContact O-N 3.01Å; A611-V614 WeakPolarHBondContact O-CB 3.41Å; A611-V614 PolarHBondContact O-N 3.26Å; A611-Q615 WeakPolarHBondContact O-CG 3.29Å; A611-Q615 PolarHBondContact O-N 3.43Å
612H93Very high90.8Very high36 Ų3655.7 Ų55.717%0.16730%0.299CS..Hα-helixtrans-57.5-49.1173.6176.784000111.8A608 N609 V610 V614 Q615 K616 A754 K755 Y756A608-H612 WeakPolarHBondContact O-CB 3.34Å; A608-H612 PolarHBondContact O-N 3.48Å; N609-H612 WeakPolarHBondContact O-CB 3.38Å; N609-H612 PolarHBondContact O-N 2.82Å; V610-H612 VanDerWaalsContact C-N 3.27Å; V610-H612 PolarHBondContact O-N 3.29Å; H612-V614 PolarHBondContact O-N 2.85Å; H612-Q615 PolarHBondContact O-N 3.02Å; H612-K616 WeakPolarHBondContact O-CB 3.33Å; H612-K616 PolarHBondContact O-N 3.49Å; H612-A754 PolarHBondContact CE1-O 2.98Å; H612-A754 VanDerWaalsContact CE1-O 3.27Å; H612-A754 PolarHBondContact NE2-O 2.94Å; H612-A754 VanDerWaalsContact NE2-O 3.09Å; H612-K755 PolarHBondContact CE1-O 3.04Å; H612-Y756 HydrophobicContact CB-CE1 3.92Å; H612-Y756 AromaticContact CD2-CE2 3.83Å; H612-Y756 AromaticContact CD2-CZ 3.58Å; H612-Y756 AromaticContact CG-CE1 3.78Å; H612-Y756 AromaticContact CG-CZ 3.72Å; H612-Y756 AromaticContact NE2-CE2 3.85Å
613L93.1Very high90.6Very high0 Ų055.6 Ų55.60%029%0.292CS..Hα-helixtrans-63.3-40.3175.9-75.5177.8000112.6V568 D592 N609 V610 Q615 K616 M617 I626 Y645 F653V568-L613 HydrophobicContact CG1-CD1 3.9Å; V568-L613 HydrophobicContact CG2-CD1 3.98Å; D592-L613 HydrophobicContact CB-CD2 3.77Å; N609-L613 PolarHBondContact O-N 3.27Å; V610-L613 PolarHBondContact O-N 2.74Å; V610-L613 VanDerWaalsContact O-N 3.1Å; L613-Q615 VanDerWaalsContact C-N 3.3Å; L613-Q615 PolarHBondContact O-N 3.44Å; L613-K616 HydrophobicContact CD2-CD 4.2Å; L613-K616 WeakPolarHBondContact O-CB 3.46Å; L613-K616 PolarHBondContact O-N 3.1Å; L613-M617 WeakPolarHBondContact O-CG 3.33Å; L613-M617 PolarHBondContact O-N 3.04Å; L613-I626 HydrophobicContact CD1-CD1 4.07Å; L613-I626 HydrophobicContact CD1-CG1 4.32Å; L613-Y645 HydrophobicContact CD1-CD1 4.01Å; L613-Y645 HydrophobicContact CD1-CE1 3.55Å; L613-F653 HydrophobicContact CB-CE1 4.3Å
614V92.7Very high90.6Very high18 Ų1852.4 Ų52.411%0.10928%0.277CS..Hα-helixtrans-56.5-45.9175.71640000110.6V610 A611 H612 M617 I652 F653V610-V614 HydrophobicContact CG1-CG2 4.28Å; V610-V614 WeakPolarHBondContact O-CG2 3.3Å; V610-V614 PolarHBondContact O-N 3.01Å; A611-V614 WeakPolarHBondContact O-CB 3.41Å; A611-V614 PolarHBondContact O-N 3.26Å; H612-V614 PolarHBondContact O-N 2.85Å; V614-M617 PolarHBondContact O-N 2.84Å; V614-I652 HydrophobicContact CB-CD1 4.36Å; V614-I652 HydrophobicContact CG1-CD1 3.44Å; V614-I652 VanDerWaalsContact CG1-CD1 3.44Å; V614-I652 HydrophobicContact CG1-CG2 4.47Å; V614-I652 HydrophobicContact CG2-CD1 4.08Å; V614-F653 HydrophobicContact CG2-CD1 4.5Å; V614-F653 HydrophobicContact CG2-CE1 3.78Å
615Q90.8Very high90.8Very high113 Ų11344.7 Ų44.753%0.52824%0.243SC..Hα-helixtrans-67.5-41.4176.8-61.5-57.9-6.800111.9A611 H612 L613 M617 K618A611-Q615 WeakPolarHBondContact O-CG 3.29Å; A611-Q615 PolarHBondContact O-N 3.43Å; H612-Q615 PolarHBondContact O-N 3.02Å; L613-Q615 VanDerWaalsContact C-N 3.3Å; L613-Q615 PolarHBondContact O-N 3.44Å; Q615-M617 VanDerWaalsContact C-N 3.3Å; Q615-M617 PolarHBondContact O-N 3.33Å; Q615-K618 WeakPolarHBondContact O-CB 3.19Å; Q615-K618 PolarHBondContact O-N 2.99Å; Q615-K618 VanDerWaalsContact O-N 3.16Å
616K90.5Very high91Very high43 Ų4341.1 Ų41.119%0.18722%0.224CC..Hα-helixtrans-56.6-42.8175-176.7-175.5171.3-170.80111.8D592 H612 L613 K618 T619 V621 R623D592-K616 IonicContact OD1-NZ 3.06Å; D592-K616 PolarHBondContact OD1-NZ 2.82Å; D592-K616 IonicContact OD2-NZ 2.75Å; D592-K616 PolarHBondContact OD2-NZ 3.25Å; H612-K616 WeakPolarHBondContact O-CB 3.33Å; H612-K616 PolarHBondContact O-N 3.49Å; L613-K616 HydrophobicContact CD2-CD 4.2Å; L613-K616 WeakPolarHBondContact O-CB 3.46Å; L613-K616 PolarHBondContact O-N 3.1Å; K616-K618 PolarHBondContact O-N 2.88Å; K616-T619 WeakPolarHBondContact O-CB 3.36Å; K616-T619 PolarHBondContact O-N 3.35Å; K616-T619 PolarHBondContact O-OG1 3.07Å; K616-V621 VanDerWaalsContact CE-CG1 3.46Å; K616-V621 VanDerWaalsContact O-O 3.11Å; K616-R623 VanDerWaalsContact CE-O 3.25Å; K616-R623 WeakPolarHBondContact CE-O 3.3Å; K616-R623 PolarHBondContact NZ-O 2.9Å
617M90Very high91.2Very high1 Ų141.1 Ų41.11%0.00522%0.224CC..Hα-helixtrans-66.4-16.7-179.1-69.3-67.8-176.200114.6R566 V568 L613 V614 Q615 T619 R623 I652 F653R566-M617 HydrophobicContact CB-SD 4.22Å; R566-M617 HydrophobicContact CG-SD 4.44Å; V568-M617 HydrophobicContact CG2-CE 3.41Å; V568-M617 VanDerWaalsContact CG2-CE 3.41Å; L613-M617 WeakPolarHBondContact O-CG 3.33Å; L613-M617 PolarHBondContact O-N 3.04Å; V614-M617 PolarHBondContact O-N 2.84Å; Q615-M617 VanDerWaalsContact C-N 3.3Å; Q615-M617 PolarHBondContact O-N 3.33Å; M617-T619 VanDerWaalsContact C-N 3.32Å; M617-R623 VanDerWaalsContact CE-C 3.42Å; M617-R623 PolarHBondContact SD-N 3.22Å; M617-R623 VanDerWaalsContact SD-N 3.42Å; M617-I652 HydrophobicContact CB-CG2 3.92Å; M617-F653 HydrophobicContact CE-CB 3.98Å; M617-F653 HydrophobicContact CE-CD1 4.37Å; M617-F653 HydrophobicContact CE-CG 4.21Å; M617-F653 HydrophobicContact CG-CB 4.21Å; M617-F653 HydrophobicContact CG-CD1 3.88Å; M617-F653 HydrophobicContact CG-CG 4.41Å; M617-F653 HydrophobicContact SD-CB 4.31Å
618K87.5Confident91.4Very high128 Ų12838.6 Ų38.656%0.55721%0.208SC*.THydrogen-bonded Turntrans-79.6-15.4172.6-62.9174.5-170.2169.70112.8Q615 K616Q615-K618 WeakPolarHBondContact O-CB 3.19Å; Q615-K618 PolarHBondContact O-N 2.99Å; Q615-K618 VanDerWaalsContact O-N 3.16Å; K616-K618 PolarHBondContact O-N 2.88Å
619T86.5Confident91.7Very high51 Ų5136 Ų3631%0.31319%0.186SC..SBendtrans-84-168.8176.275.80000111.8K616 M617 V621K616-T619 WeakPolarHBondContact O-CB 3.36Å; K616-T619 PolarHBondContact O-N 3.35Å; K616-T619 PolarHBondContact O-OG1 3.07Å; M617-T619 VanDerWaalsContact C-N 3.32Å; T619-V621 PolarHBondContact O-N 3.29Å; T619-V621 PolarHBondContact OG1-N 2.65Å; T619-V621 VanDerWaalsContact OG1-N 3.12Å
620T83.8Confident91.7Very high112 Ų11237.6 Ų37.669%0.68719%0.193SC*.SBendtrans-67.7-22.2171.455.10000112.6E73 K622E73-T620 WeakPolarHBondContact CG-OG1 2.96Å; T620-K622 PolarHBondContact O-N 2.95Å
621V83Confident91.8Very high9 Ų940.3 Ų40.36%0.05521%0.207CC..  trans-89.697.9-178.9-172.70000110.7E73 S76 K616 T619 R623E73-V621 HydrophobicContact CB-CG2 4.39Å; E73-V621 HydrophobicContact CG-CG2 4.15Å; S76-V621 WeakPolarHBondContact OG-CG2 3.31Å; K616-V621 VanDerWaalsContact CE-CG1 3.46Å; K616-V621 VanDerWaalsContact O-O 3.11Å; T619-V621 PolarHBondContact O-N 3.29Å; T619-V621 PolarHBondContact OG1-N 2.65Å; T619-V621 VanDerWaalsContact OG1-N 3.12Å; V621-R623 HydrophobicContact CG1-CG 4.29Å; V621-R623 PolarHBondContact O-N 3.34Å
622K85.2Confident91.9Very high102 Ų10238 Ų3844%0.44319%0.188SC..  trans-9839.7-174-62.9177.7-174.2174.60114R566 R567 T620R566-K622 VanDerWaalsContact CA-O 3.23Å; R566-K622 WeakPolarHBondContact CA-O 3.33Å; R566-K622 HydrophobicContact CG-CB 3.89Å; R566-K622 HydrophobicContact CG-CD 4.18Å; R566-K622 HydrophobicContact CG-CG 4.08Å; R567-K622 PolarHBondContact N-O 3.4Å; T620-K622 PolarHBondContact O-N 2.95Å
623R90Very high92.1Very high43 Ų4338.4 Ų38.416%0.16219%0.191CC..EExtended strand (participates in β ladder)trans-148.2150.8-179.967.1-174.5-175.3-75-18.6112.5S76 M77 A561 R567 K616 M617 V621S76-R623 PolarHBondContact OG-NH2 3.04Å; M77-R623 PolarHBondContact SD-NE 3.34Å; M77-R623 PolarHBondContact SD-NH2 2.98Å; A561-R623 HydrophobicContact CB-CB 4.14Å; R567-R623 CarbonylContact O-C 3.52Å; R567-R623 VanDerWaalsContact O-CA 3.29Å; R567-R623 WeakPolarHBondContact O-CA 3.33Å; K616-R623 VanDerWaalsContact CE-O 3.25Å; K616-R623 WeakPolarHBondContact CE-O 3.3Å; K616-R623 PolarHBondContact NZ-O 2.9Å; M617-R623 VanDerWaalsContact CE-C 3.42Å; M617-R623 PolarHBondContact SD-N 3.22Å; M617-R623 VanDerWaalsContact SD-N 3.42Å; V621-R623 HydrophobicContact CG1-CG 4.29Å; V621-R623 PolarHBondContact O-N 3.34Å
624G92.8Very high92.1Very high5 Ų542.7 Ų42.75%0.05223%0.227CC..EExtended strand (participates in β ladder)trans-131146.4174.800000112.4R567 V568 F569 D592R567-G624 PolarHBondContact O-N 2.88Å; V568-G624 WeakPolarHBondContact CA-O 3.47Å; F569-G624 PolarHBondContact N-O 2.96Å; D592-G624 VanDerWaalsContact OD2-CA 3.25Å; D592-G624 WeakPolarHBondContact OD2-CA 3.45Å
625L95.4Very high92.3Very high6 Ų648 Ų483%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-133.9124.4174.7178.366.9000109.5C554 K558 F569 V571 A589 A591 D592 L627C554-L625 HydrophobicContact CB-CD2 4.1Å; K558-L625 HydrophobicContact CD-CD2 4.24Å; K558-L625 HydrophobicContact CG-CD2 4.3Å; F569-L625 HydrophobicContact CB-CD1 4.33Å; V571-L625 HydrophobicContact CG2-CD1 3.75Å; A589-L625 HydrophobicContact CB-CD2 3.8Å; A591-L625 HydrophobicContact CB-CD2 4.16Å; A591-L625 HydrophobicContact CB-CG 4.15Å; D592-L625 PolarHBondContact N-O 3.04Å; D592-L625 PolarHBondContact OD2-N 3.28Å; L625-L627 HydrophobicContact CD1-CD1 4.43Å; L625-L627 HydrophobicContact CD2-CD1 4.11Å; L625-L627 HydrophobicContact CG-CD1 3.93Å
626I97.1Very high92.5Very high0 Ų045 Ų450%024%0.239CC..EExtended strand (participates in β ladder)trans-123128.7-179.7-57.7-64.7000107.6V568 F569 I570 V571 D592 A593 Y595 L613 Y645V568-I626 HydrophobicContact CG1-CG1 4.08Å; F569-I626 PolarHBondContact O-N 3.36Å; I570-I626 WeakPolarHBondContact CA-O 3.34Å; I570-I626 HydrophobicContact CG1-CB 4.22Å; I570-I626 HydrophobicContact CG2-CG2 4.47Å; V571-I626 PolarHBondContact N-O 2.92Å; D592-I626 HydrophobicContact CB-CD1 4.08Å; A593-I626 HydrophobicContact CB-CD1 3.64Å; A593-I626 WeakPolarHBondContact O-CA 3.22Å; Y595-I626 HydrophobicContact CD2-CG2 3.81Å; Y595-I626 HydrophobicContact CE2-CG2 3.47Å; Y595-I626 VanDerWaalsContact CE2-CG2 3.47Å; L613-I626 HydrophobicContact CD1-CD1 4.07Å; L613-I626 HydrophobicContact CD1-CG1 4.32Å; I626-Y645 HydrophobicContact CD1-CE1 4.07Å; I626-Y645 HydrophobicContact CG1-CE1 3.84Å
627L97.6Very high92.7Very high0 Ų045.7 Ų45.70%025%0.246CC..EExtended strand (participates in β ladder)trans-103.1143.9170.5-76.780.2000109.6I550 V571 T573 A582 A585 A591 A593 A594 Y595 L625I550-L627 HydrophobicContact CG2-CD2 4.35Å; V571-L627 CarbonylContact O-C 3.59Å; V571-L627 WeakPolarHBondContact O-CA 3.26Å; T573-L627 HydrophobicContact CG2-CD2 4.01Å; A582-L627 HydrophobicContact CB-CB 4.46Å; A582-L627 WeakPolarHBondContact O-CD2 3.43Å; A585-L627 HydrophobicContact CB-CD2 3.68Å; A591-L627 HydrophobicContact CB-CD1 3.31Å; A593-L627 PolarHBondContact O-N 3.43Å; A594-L627 CarbonylContact C-O 3.03Å; A594-L627 VanDerWaalsContact CA-O 3.24Å; A594-L627 WeakPolarHBondContact CA-O 3.42Å; A594-L627 HydrophobicContact CB-CB 4.23Å; Y595-L627 PolarHBondContact N-O 3.44Å; L625-L627 HydrophobicContact CD1-CD1 4.43Å; L625-L627 HydrophobicContact CD2-CD1 4.11Å; L625-L627 HydrophobicContact CG-CD1 3.93Å
628R97.4Very high93Very high12 Ų1245.9 Ų45.95%0.04525%0.248CC..EExtended strand (participates in β ladder)trans-133130.1174.6-174.6-150.2171.6-109.2-13.8108.2V571 E572 T573 E630 C632 N633 Y636 T638V571-R628 PolarHBondContact O-N 3.5Å; E572-R628 CarbonylContact C-O 3.53Å; E572-R628 WeakPolarHBondContact CA-O 3.24Å; E572-R628 IonicContact OE2-NH1 2.7Å; E572-R628 PolarHBondContact OE2-NH1 3.46Å; T573-R628 PolarHBondContact N-O 3.32Å; T573-R628 PolarHBondContact OG1-O 3.03Å; R628-E630 VanDerWaalsContact CZ-O 3.26Å; R628-E630 PolarHBondContact NH1-O 2.65Å; R628-E630 PolarHBondContact NH2-O 3.12Å; R628-C632 VanDerWaalsContact CG-SG 3.57Å; R628-N633 PolarHBondContact NH2-O 2.86Å; R628-Y636 PolarHBondContact NE-O 3.35Å; R628-T638 WeakPolarHBondContact CD-OG1 3.19Å; R628-T638 PolarHBondContact NE-OG1 3.04Å; R628-T638 PolarHBondContact NH1-OG1 2.75Å
629N97.8Very high93.4Very high0 Ų046.1 Ų46.10%025%0.251CS..EExtended strand (participates in β ladder)trans-77.8138.9167162.2-98.5000110M574 G576 C578 A582 Y595 I596 N631 C632M574-N629 PolarHBondContact O-ND2 2.93Å; G576-N629 PolarHBondContact O-ND2 3.45Å; G576-N629 PolarHBondContact O-OD1 3.43Å; C578-N629 PolarHBondContact O-ND2 3.44Å; A582-N629 HydrophobicContact CB-CB 3.96Å; Y595-N629 PolarHBondContact O-N 3.12Å; I596-N629 HydrophobicContact CG2-CB 4.31Å; N629-N631 VanDerWaalsContact C-N 3.29Å; N629-N631 PolarHBondContact O-N 3.43Å; N629-N631 VanDerWaalsContact O-N 3.16Å; N629-N631 PolarHBondContact OD1-N 3.41Å; N629-C632 HydrophobicContact CB-CB 4.38Å; N629-C632 WeakPolarHBondContact O-CB 3.39Å; N629-C632 PolarHBondContact O-N 2.72Å; N629-C632 VanDerWaalsContact O-N 3.11Å; N629-C632 PolarHBondContact O-SG 3Å; N629-C632 VanDerWaalsContact O-SG 3.33Å; N629-C632 PolarHBondContact OD1-N 2.93Å
630E94.9Very high93.9Very high55 Ų5547.2 Ų47.226%0.25725%0.251SS..THydrogen-bonded Turntrans-52.6-38.4-171.264.3-168.1160.600114.7E572 T573 G575 G576 R628E572-E630 HydrophobicContact CG-CB 4.31Å; T573-E630 PolarHBondContact O-N 2.85Å; G575-E630 PolarHBondContact N-OE1 3.14Å; G576-E630 WeakPolarHBondContact CA-OE1 3.47Å; G576-E630 PolarHBondContact N-OE1 2.88Å; R628-E630 VanDerWaalsContact CZ-O 3.26Å; R628-E630 PolarHBondContact NH1-O 2.65Å; R628-E630 PolarHBondContact NH2-O 3.12Å
631N96.3Very high94.5Very high62 Ų6241.9 Ų41.933%0.33222%0.219SC..THydrogen-bonded Turntrans-110.826.7-178.9-60.3-12000113.1G576 Y577 N629 N633G576-N631 WeakPolarHBondContact O-CB 3.26Å; Y577-N631 HydrophobicContact CD1-CB 3.6Å; Y577-N631 VanDerWaalsContact CD1-O 3.3Å; Y577-N631 WeakPolarHBondContact CD1-O 3.48Å; Y577-N631 HydrophobicContact CD2-CB 4.34Å; Y577-N631 HydrophobicContact CE1-CB 3.62Å; Y577-N631 WeakPolarHBondContact CE1-O 3.45Å; Y577-N631 HydrophobicContact CE2-CB 4.36Å; Y577-N631 HydrophobicContact CG-CB 3.99Å; N629-N631 VanDerWaalsContact C-N 3.29Å; N629-N631 PolarHBondContact O-N 3.43Å; N629-N631 VanDerWaalsContact O-N 3.16Å; N629-N631 PolarHBondContact OD1-N 3.41Å; N631-N633 VanDerWaalsContact C-N 3.26Å; N631-N633 PolarHBondContact O-N 2.95Å
632C95.5Very high95.2Very high3 Ų344 Ų442%0.0223%0.227CC..SBendtrans-60.8-35.8-179.568.40000113.1I596 F601 R628 N629I596-C632 VanDerWaalsContact C-CB 3.43Å; F601-C632 HydrophobicContact CE1-CB 4.14Å; R628-C632 VanDerWaalsContact CG-SG 3.57Å; N629-C632 HydrophobicContact CB-CB 4.38Å; N629-C632 WeakPolarHBondContact O-CB 3.39Å; N629-C632 PolarHBondContact O-N 2.72Å; N629-C632 VanDerWaalsContact O-N 3.11Å; N629-C632 PolarHBondContact O-SG 3Å; N629-C632 VanDerWaalsContact O-SG 3.33Å; N629-C632 PolarHBondContact OD1-N 2.93Å
633N96.3Very high95.7Very high44 Ų4443.1 Ų43.124%0.23523%0.227CC..  trans-160.6140178-170.2-71.2000109.6F601 R628 N631 N635 Y636F601-N633 HydrophobicContact CE1-CB 4.41Å; F601-N633 HydrophobicContact CZ-CB 4Å; R628-N633 PolarHBondContact NH2-O 2.86Å; N631-N633 VanDerWaalsContact C-N 3.26Å; N631-N633 PolarHBondContact O-N 2.95Å; N633-N635 PolarHBondContact OD1-N 2.92Å; N633-Y636 HydrophobicContact CB-CD2 4.08Å; N633-Y636 HydrophobicContact CB-CG 4.38Å; N633-Y636 PolarHBondContact OD1-N 2.92Å
634A94.1Very high96Very high90 Ų9042.4 Ų42.474%0.74423%0.226SC*.SBendtrans-71.3-32-178.800000113.7
635N95.5Very high96.2Very high128 Ų12842.1 Ų42.168%0.68422%0.224SC*.SBendtrans-95.5-35.4-176.6-61.2-46.8000112N633 T637N633-N635 PolarHBondContact OD1-N 2.92Å; N635-T637 PolarHBondContact O-N 3.15Å
636Y95.3Very high96.2Very high51 Ų5143.5 Ų43.520%0.223%0.234CC..SBendtrans-85.768.9176.1-50-37.5000110F601 L606 R628 N633 F640 L641F601-Y636 AromaticContact CD2-CD2 3.93Å; F601-Y636 HydrophobicContact CD2-CD2 3.93Å; F601-Y636 HydrophobicContact CD2-CE2 4.42Å; F601-Y636 AromaticContact CE2-CD2 3.42Å; F601-Y636 HydrophobicContact CE2-CD2 3.42Å; F601-Y636 VanDerWaalsContact CE2-CD2 3.42Å; F601-Y636 HydrophobicContact CE2-CE2 4.32Å; F601-Y636 HydrophobicContact CE2-CG 4.04Å; F601-Y636 HydrophobicContact CZ-CD2 4.07Å; L606-Y636 HydrophobicContact CD1-CD1 4.39Å; L606-Y636 HydrophobicContact CD1-CD2 4.45Å; L606-Y636 HydrophobicContact CD1-CG 4.26Å; R628-Y636 PolarHBondContact NE-O 3.35Å; N633-Y636 HydrophobicContact CB-CD2 4.08Å; N633-Y636 HydrophobicContact CB-CG 4.38Å; N633-Y636 PolarHBondContact OD1-N 2.92Å; Y636-F640 AromaticContact CD1-CD1 3.84Å; Y636-F640 HydrophobicContact CD1-CD1 3.84Å; Y636-F640 AromaticContact CD1-CE1 3.61Å; Y636-F640 HydrophobicContact CD1-CE1 3.61Å; Y636-F640 HydrophobicContact CD1-CZ 4.24Å; Y636-F640 HydrophobicContact CE1-CE1 4.16Å; Y636-F640 HydrophobicContact CE1-CZ 4.44Å; Y636-F640 HydrophobicContact CG-CD1 4.45Å; Y636-F640 HydrophobicContact CG-CE1 4.43Å; Y636-L641 VanDerWaalsContact O-CD1 3.27Å; Y636-L641 WeakPolarHBondContact O-CD1 3.39Å
637T95.8Very high96.2Very high57 Ų5748.9 Ų48.935%0.3526%0.259SS..  trans-70.6162.4177700000111N635 E639 F640 L641N635-T637 PolarHBondContact O-N 3.15Å; T637-E639 PolarHBondContact O-N 2.94Å; T637-F640 WeakPolarHBondContact O-CB 3.34Å; T637-F640 PolarHBondContact O-N 3.21Å; T637-F640 PolarHBondContact OG1-N 2.8Å; T637-F640 VanDerWaalsContact OG1-N 3.09Å; T637-L641 WeakPolarHBondContact O-CD1 3.42Å; T637-L641 PolarHBondContact O-N 3.47Å
638T95.8Very high96Very high6 Ų654.1 Ų54.14%0.03728%0.284CS..Hα-helixtrans-61.2-33.3178.3-44.40000112.2I570 E572 R628 F642 L657I570-T638 HydrophobicContact CG2-CG2 3.69Å; E572-T638 HydrophobicContact CB-CG2 4.17Å; E572-T638 WeakPolarHBondContact OE2-CB 3.34Å; E572-T638 PolarHBondContact OE2-OG1 2.91Å; R628-T638 WeakPolarHBondContact CD-OG1 3.19Å; R628-T638 PolarHBondContact NE-OG1 3.04Å; R628-T638 PolarHBondContact NH1-OG1 2.75Å; T638-F642 VanDerWaalsContact O-CB 3.28Å; T638-F642 WeakPolarHBondContact O-CB 3.32Å; T638-F642 PolarHBondContact O-N 2.83Å; T638-L657 HydrophobicContact CG2-CD1 3.13Å
639E96.4Very high95.8Very high132 Ų13253.6 Ų53.662%0.61728%0.282SS*.Hα-helixtrans-66.9-42.9172.6-174.4173.4-16800112T637 F642 N643T637-E639 PolarHBondContact O-N 2.94Å; E639-F642 WeakPolarHBondContact O-CB 3.39Å; E639-F642 PolarHBondContact O-N 3.47Å; E639-N643 PolarHBondContact O-N 2.92Å; E639-N643 PolarHBondContact O-ND2 2.92Å
640F96.4Very high95.6Very high74 Ų7460.2 Ų60.233%0.32531%0.311SS..Hα-helixtrans-59.3-49.5174174.4-93.7000111.5I603 L606 Y636 T637 F642 N643 L644I603-F640 HydrophobicContact CD1-CE1 4.32Å; I603-F640 HydrophobicContact CD1-CZ 4.03Å; L606-F640 HydrophobicContact CD1-CE1 3.88Å; Y636-F640 AromaticContact CD1-CD1 3.84Å; Y636-F640 HydrophobicContact CD1-CD1 3.84Å; Y636-F640 AromaticContact CD1-CE1 3.61Å; Y636-F640 HydrophobicContact CD1-CE1 3.61Å; Y636-F640 HydrophobicContact CD1-CZ 4.24Å; Y636-F640 HydrophobicContact CE1-CE1 4.16Å; Y636-F640 HydrophobicContact CE1-CZ 4.44Å; Y636-F640 HydrophobicContact CG-CD1 4.45Å; Y636-F640 HydrophobicContact CG-CE1 4.43Å; T637-F640 WeakPolarHBondContact O-CB 3.34Å; T637-F640 PolarHBondContact O-N 3.21Å; T637-F640 PolarHBondContact OG1-N 2.8Å; T637-F640 VanDerWaalsContact OG1-N 3.09Å; F640-F642 VanDerWaalsContact C-N 3.28Å; F640-F642 PolarHBondContact O-N 3.21Å; F640-N643 PolarHBondContact O-N 2.95Å; F640-L644 HydrophobicContact CE1-CD2 4.15Å; F640-L644 WeakPolarHBondContact O-CB 3.13Å; F640-L644 PolarHBondContact O-N 3.07Å
641L96.3Very high95.4Very high0 Ų061.5 Ų61.50%034%0.338CS..Hα-helixtrans-61.1-39.7177.2-79.891.6000111.4I570 Y595 L606 Y636 T637 L644 Y645I570-L641 HydrophobicContact CD1-CB 3.98Å; Y595-L641 HydrophobicContact CD2-CD2 3.4Å; Y595-L641 HydrophobicContact CE2-CD2 3.27Å; Y595-L641 HydrophobicContact CG-CD2 4.28Å; L606-L641 HydrophobicContact CD2-CD2 4.17Å; Y636-L641 VanDerWaalsContact O-CD1 3.27Å; Y636-L641 WeakPolarHBondContact O-CD1 3.39Å; T637-L641 WeakPolarHBondContact O-CD1 3.42Å; T637-L641 PolarHBondContact O-N 3.47Å; L641-L644 PolarHBondContact O-N 2.89Å; L641-Y645 WeakPolarHBondContact O-CB 3.13Å; L641-Y645 WeakPolarHBondContact O-CD2 3.25Å; L641-Y645 PolarHBondContact O-N 2.92Å
642F97Very high95.2Very high54 Ų5460.9 Ų60.924%0.23733%0.334CS..Hα-helixtrans-60.2-47.8175.7167.5-98000112.2I570 T638 E639 F640 S646 C655 L657I570-F642 HydrophobicContact CD1-CB 4.18Å; T638-F642 VanDerWaalsContact O-CB 3.28Å; T638-F642 WeakPolarHBondContact O-CB 3.32Å; T638-F642 PolarHBondContact O-N 2.83Å; E639-F642 WeakPolarHBondContact O-CB 3.39Å; E639-F642 PolarHBondContact O-N 3.47Å; F640-F642 VanDerWaalsContact C-N 3.28Å; F640-F642 PolarHBondContact O-N 3.21Å; F642-S646 VanDerWaalsContact O-CB 3.23Å; F642-S646 WeakPolarHBondContact O-CB 3.3Å; F642-S646 PolarHBondContact O-N 3.25Å; F642-S646 PolarHBondContact O-OG 2.82Å; F642-C655 HydrophobicContact CD2-CB 4.07Å; F642-C655 HydrophobicContact CE2-CB 4.09Å; F642-C655 WeakPolarHBondContact CE2-O 3.29Å; F642-L657 HydrophobicContact CD2-CB 4.23Å
643N96.9Very high95.1Very high84 Ų8461 Ų6145%0.44934%0.335SS..Hα-helixtrans-64.5-45.2179-70.1-25.3000111.3E639 F640 S646 E647E639-N643 PolarHBondContact O-N 2.92Å; E639-N643 PolarHBondContact O-ND2 2.92Å; F640-N643 PolarHBondContact O-N 2.95Å; N643-S646 PolarHBondContact O-N 2.66Å; N643-E647 PolarHBondContact O-N 3.46Å
644L96.1Very high94.9Very high27 Ų2762.8 Ų62.814%0.14134%0.344CS..Hα-helixtrans-57.8-53.5176.6177.266.3000111.6I603 L606 F640 L641 S646 E647 E648I603-L644 HydrophobicContact CD1-CD2 4.01Å; L606-L644 HydrophobicContact CB-CD2 3.71Å; L606-L644 HydrophobicContact CD1-CD2 3.92Å; L606-L644 HydrophobicContact CG-CD2 4.42Å; F640-L644 HydrophobicContact CE1-CD2 4.15Å; F640-L644 WeakPolarHBondContact O-CB 3.13Å; F640-L644 PolarHBondContact O-N 3.07Å; L641-L644 PolarHBondContact O-N 2.89Å; L644-S646 VanDerWaalsContact C-N 3.27Å; L644-S646 PolarHBondContact O-N 3.39Å; L644-E647 PolarHBondContact O-N 3.45Å; L644-E648 HydrophobicContact CD1-CG 3.77Å; L644-E648 HydrophobicContact CG-CG 4.43Å; L644-E648 VanDerWaalsContact O-CB 3.31Å; L644-E648 WeakPolarHBondContact O-CB 3.31Å; L644-E648 VanDerWaalsContact O-CG 3.31Å; L644-E648 WeakPolarHBondContact O-CG 3.49Å; L644-E648 PolarHBondContact O-N 3.45Å
645Y96.1Very high94.9Very high0 Ų058.6 Ų58.60%031%0.309CS..Hα-helixtrans-66-31.6-178.7-83.6-121.3000112.2V568 I570 Y595 N609 V610 L613 I626 L641 G649 F653V568-Y645 HydrophobicContact CG1-CD1 4.17Å; I570-Y645 HydrophobicContact CD1-CD2 4.46Å; I570-Y645 HydrophobicContact CD1-CG 4.23Å; Y595-Y645 PolarHBondContact OH-OH 3.1Å; N609-Y645 WeakPolarHBondContact CB-OH 3.27Å; V610-Y645 HydrophobicContact CG2-CD1 3.89Å; V610-Y645 HydrophobicContact CG2-CD2 3.55Å; V610-Y645 HydrophobicContact CG2-CE1 3.85Å; V610-Y645 HydrophobicContact CG2-CE2 3.51Å; V610-Y645 HydrophobicContact CG2-CG 3.76Å; L613-Y645 HydrophobicContact CD1-CD1 4.01Å; L613-Y645 HydrophobicContact CD1-CE1 3.55Å; I626-Y645 HydrophobicContact CD1-CE1 4.07Å; I626-Y645 HydrophobicContact CG1-CE1 3.84Å; L641-Y645 WeakPolarHBondContact O-CB 3.13Å; L641-Y645 WeakPolarHBondContact O-CD2 3.25Å; L641-Y645 PolarHBondContact O-N 2.92Å; Y645-G649 WeakPolarHBondContact O-CA 3.26Å; Y645-G649 PolarHBondContact O-N 3.23Å; Y645-F653 WeakPolarHBondContact O-CE2 3.27Å
646S95.9Very high94.9Very high34 Ų3457.9 Ų57.924%0.23830%0.297CS..Hα-helixtrans-69.8-43.3177.3-61.20000112.2F642 N643 L644 K650 C655F642-S646 VanDerWaalsContact O-CB 3.23Å; F642-S646 WeakPolarHBondContact O-CB 3.3Å; F642-S646 PolarHBondContact O-N 3.25Å; F642-S646 PolarHBondContact O-OG 2.82Å; N643-S646 PolarHBondContact O-N 2.66Å; L644-S646 VanDerWaalsContact C-N 3.27Å; L644-S646 PolarHBondContact O-N 3.39Å; S646-K650 PolarHBondContact O-N 2.95Å; S646-C655 VanDerWaalsContact OG-CB 3.29Å; S646-C655 WeakPolarHBondContact OG-CB 3.38Å
647E96.3Very high94.8Very high113 Ų11359.3 Ų59.353%0.52831%0.308SS..Hα-helixtrans-75.8-46.2-179.1-167.359-149.400111.4N643 L644 G649 K650N643-E647 PolarHBondContact O-N 3.46Å; L644-E647 PolarHBondContact O-N 3.45Å; E647-G649 VanDerWaalsContact C-N 3.29Å; E647-G649 PolarHBondContact O-N 3.21Å; E647-K650 WeakPolarHBondContact O-CB 3.06Å; E647-K650 PolarHBondContact O-N 3.06Å; E647-K650 WeakPolarHBondContact OE1-CD 3.23Å; E647-K650 IonicContact OE1-NZ 3.65Å; E647-K650 PolarHBondContact OE1-NZ 2.87Å; E647-K650 IonicContact OE2-NZ 3.1Å; E647-K650 PolarHBondContact OE2-NZ 3.31Å
648E94.9Very high94.8Very high111 Ų11159.1 Ų59.152%0.51931%0.305SS..Hα-helixtrans-71.2-25.2179.7-64.1-63.214100112.8V610 L644V610-E648 HydrophobicContact CG1-CB 3.67Å; L644-E648 HydrophobicContact CD1-CG 3.77Å; L644-E648 HydrophobicContact CG-CG 4.43Å; L644-E648 VanDerWaalsContact O-CB 3.31Å; L644-E648 WeakPolarHBondContact O-CB 3.31Å; L644-E648 VanDerWaalsContact O-CG 3.31Å; L644-E648 WeakPolarHBondContact O-CG 3.49Å; L644-E648 PolarHBondContact O-N 3.45Å
649G92.6Very high94.8Very high0 Ų062.4 Ų62.40%032%0.324CS..THydrogen-bonded Turntrans-87-2.2175.800000114.7Y645 E647 G651 I652 F653Y645-G649 WeakPolarHBondContact O-CA 3.26Å; Y645-G649 PolarHBondContact O-N 3.23Å; E647-G649 VanDerWaalsContact C-N 3.29Å; E647-G649 PolarHBondContact O-N 3.21Å; G649-G651 PolarHBondContact O-N 2.9Å; G649-I652 WeakPolarHBondContact O-CA 2.99Å; G649-I652 WeakPolarHBondContact O-CB 3.44Å; G649-I652 PolarHBondContact O-N 3.24Å; G649-F653 PolarHBondContact O-N 3.13Å
650K93.1Very high94.8Very high140 Ų14056.4 Ų56.461%0.60930%0.297SS*.THydrogen-bonded Turntrans-57.3133.2-169.3-170.9172-175.8170.30112.5S646 E647 I652S646-K650 PolarHBondContact O-N 2.95Å; E647-K650 WeakPolarHBondContact O-CB 3.06Å; E647-K650 PolarHBondContact O-N 3.06Å; E647-K650 WeakPolarHBondContact OE1-CD 3.23Å; E647-K650 IonicContact OE1-NZ 3.65Å; E647-K650 PolarHBondContact OE1-NZ 2.87Å; E647-K650 IonicContact OE2-NZ 3.1Å; E647-K650 PolarHBondContact OE2-NZ 3.31Å; K650-I652 PolarHBondContact O-N 3.34Å
651G90Very high94.7Very high81 Ų8154 Ų5484%0.83529%0.293SS*.THydrogen-bonded Turntrans77.1-7.7-175.200000114.8G649G649-G651 PolarHBondContact O-N 2.9Å
652I92.4Very high94.7Very high49 Ų4960.7 Ų60.725%0.25132%0.324SS..THydrogen-bonded Turntrans-110.8-49.8179.3-55.5176.6000110.6R566 V614 M617 G649 K650R566-I652 WeakPolarHBondContact CB-O 3.45Å; R566-I652 WeakPolarHBondContact CD-O 3.21Å; V614-I652 HydrophobicContact CB-CD1 4.36Å; V614-I652 HydrophobicContact CG1-CD1 3.44Å; V614-I652 VanDerWaalsContact CG1-CD1 3.44Å; V614-I652 HydrophobicContact CG1-CG2 4.47Å; V614-I652 HydrophobicContact CG2-CD1 4.08Å; M617-I652 HydrophobicContact CB-CG2 3.92Å; G649-I652 WeakPolarHBondContact O-CA 2.99Å; G649-I652 WeakPolarHBondContact O-CB 3.44Å; G649-I652 PolarHBondContact O-N 3.24Å; K650-I652 PolarHBondContact O-N 3.34Å
653F93.1Very high94.5Very high7 Ų763.8 Ų63.83%0.03134%0.34CS..  trans-146.1156.9177.162.3-103.7000112.4R566 V568 V610 L613 V614 M617 Y645 G649R566-F653 HydrophobicContact CB-CB 4.13Å; R566-F653 VanDerWaalsContact O-CA 3.3Å; R566-F653 WeakPolarHBondContact O-CA 3.19Å; R566-F653 WeakPolarHBondContact O-CB 3.45Å; V568-F653 HydrophobicContact CB-CD2 3.98Å; V568-F653 HydrophobicContact CB-CE2 4.04Å; V568-F653 HydrophobicContact CG2-CB 4.4Å; V568-F653 HydrophobicContact CG2-CD1 4.23Å; V568-F653 HydrophobicContact CG2-CD2 3.36Å; V568-F653 HydrophobicContact CG2-CE1 4.33Å; V568-F653 HydrophobicContact CG2-CE2 3.52Å; V568-F653 HydrophobicContact CG2-CG 3.75Å; V568-F653 HydrophobicContact CG2-CZ 4.01Å; V610-F653 HydrophobicContact CG1-CZ 4.39Å; L613-F653 HydrophobicContact CB-CE1 4.3Å; V614-F653 HydrophobicContact CG2-CD1 4.5Å; V614-F653 HydrophobicContact CG2-CE1 3.78Å; M617-F653 HydrophobicContact CE-CB 3.98Å; M617-F653 HydrophobicContact CE-CD1 4.37Å; M617-F653 HydrophobicContact CE-CG 4.21Å; M617-F653 HydrophobicContact CG-CB 4.21Å; M617-F653 HydrophobicContact CG-CD1 3.88Å; M617-F653 HydrophobicContact CG-CG 4.41Å; M617-F653 HydrophobicContact SD-CB 4.31Å; Y645-F653 WeakPolarHBondContact O-CE2 3.27Å; G649-F653 PolarHBondContact O-N 3.13Å
654D92.4Very high94.5Very high80 Ų8059.9 Ų59.943%0.42832%0.32SS..EExtended strand (participates in β ladder)trans-90.3147.3169.4-62.4-14000110.5R566 R567 V568R566-D654 PolarHBondContact O-N 3.37Å; R567-D654 CarbonylContact C-O 3.5Å; R567-D654 WeakPolarHBondContact CA-O 3.37Å; R567-D654 IonicContact NH2-OD2 3.16Å; R567-D654 PolarHBondContact NH2-OD2 3.13Å; V568-D654 PolarHBondContact N-O 3.38Å
655C94.3Very high94.3Very high3 Ų360.5 Ų60.52%0.0232%0.322CS..EExtended strand (participates in β ladder)trans-105.4150.7170.5-156.80000111.9V568 I570 F642 S646V568-C655 CarbonylContact O-C 3.54Å; V568-C655 WeakPolarHBondContact O-CA 3.42Å; I570-C655 VanDerWaalsContact CD1-SG 3.6Å; F642-C655 HydrophobicContact CD2-CB 4.07Å; F642-C655 HydrophobicContact CE2-CB 4.09Å; F642-C655 WeakPolarHBondContact CE2-O 3.29Å; S646-C655 VanDerWaalsContact OG-CB 3.29Å; S646-C655 WeakPolarHBondContact OG-CB 3.38Å
656R94.9Very high94.1Very high113 Ų11361.8 Ų61.843%0.42633%0.334SS..EExtended strand (participates in β ladder)trans-138.4146.4171.2-70.3-64.2178.6-106.98.1110.9R567 V568 F569 I570R567-R656 HydrophobicContact CG-CG 4.47Å; V568-R656 PolarHBondContact O-N 3.22Å; F569-R656 WeakPolarHBondContact CA-O 3.37Å; F569-R656 HydrophobicContact CD1-CB 3.56Å; F569-R656 HydrophobicContact CE1-CB 3.45Å; F569-R656 VanDerWaalsContact CE1-CB 3.45Å; F569-R656 HydrophobicContact CE1-CG 4.05Å; F569-R656 HydrophobicContact CG-CB 4.28Å; F569-R656 HydrophobicContact CZ-CB 4.08Å; F569-R656 HydrophobicContact CZ-CG 4.26Å; I570-R656 PolarHBondContact N-O 3.1Å
657L94.6Very high93.8Very high80 Ų8062.8 Ų62.842%0.41935%0.35SS..EExtended strand (participates in β ladder)trans-103.4134.3179.2168.684.9000109.5T638 F642 V659T638-L657 HydrophobicContact CG2-CD1 3.13Å; F642-L657 HydrophobicContact CD2-CB 4.23Å; L657-V659 HydrophobicContact CD1-CG2 4.37Å
658N95.6Very high93.6Very high54 Ų5461.1 Ų61.129%0.28935%0.348SS..EExtended strand (participates in β ladder)trans-135.6112.9169-85.771.9000110.6I557 F569 I570 V571 E572I557-N658 HydrophobicContact CD1-CB 4.13Å; F569-N658 WeakPolarHBondContact CD1-OD1 3.5Å; I570-N658 PolarHBondContact O-N 2.99Å; V571-N658 CarbonylContact C-O 3.56Å; V571-N658 VanDerWaalsContact CA-O 3.31Å; V571-N658 WeakPolarHBondContact CA-O 3.2Å; V571-N658 HydrophobicContact CG2-CB 4.43Å; E572-N658 PolarHBondContact N-O 3.15Å
659V96.6Very high93.7Very high74 Ų7456 Ų5645%0.44832%0.324SS..EExtended strand (participates in β ladder)trans-94112.2169179.50000108.1E572 L657 G661E572-V659 HydrophobicContact CB-CB 4.43Å; E572-V659 HydrophobicContact CB-CG1 4.38Å; E572-V659 HydrophobicContact CB-CG2 4.08Å; E572-V659 WeakPolarHBondContact OE1-CG1 3.48Å; L657-V659 HydrophobicContact CD1-CG2 4.37Å; V659-G661 VanDerWaalsContact C-N 3.31Å; V659-G661 PolarHBondContact O-N 3.28Å
660L95.9Very high94Very high7 Ų756.5 Ų56.54%0.03733%0.328CS..  trans-70.6-31-175.6-61.5-174.3000112.4I550 T553 V571 E572 T573 M663 Q664I550-L660 HydrophobicContact CB-CD1 4.18Å; I550-L660 HydrophobicContact CG1-CD1 3.91Å; I550-L660 HydrophobicContact CG2-CD1 3.83Å; T553-L660 HydrophobicContact CG2-CD2 3.53Å; V571-L660 HydrophobicContact CG1-CD1 3.69Å; V571-L660 HydrophobicContact CG1-CD2 3.95Å; V571-L660 HydrophobicContact CG1-CG 3.64Å; E572-L660 PolarHBondContact O-N 2.95Å; T573-L660 HydrophobicContact CG2-CD1 4.49Å; L660-M663 WeakPolarHBondContact O-CE 3.44Å; L660-Q664 HydrophobicContact CB-CG 3.72Å; L660-Q664 HydrophobicContact CD1-CG 4.14Å
661G94.8Very high94.2Very high24 Ų2450 Ų5025%0.24730%0.299CS..G310 helixtrans53.7-142.3179.700000112.8M574 V659 M663 Q664M574-G661 VanDerWaalsContact SD-O 3.4Å; V659-G661 VanDerWaalsContact C-N 3.31Å; V659-G661 PolarHBondContact O-N 3.28Å; G661-M663 PolarHBondContact O-N 2.9Å; G661-M663 VanDerWaalsContact O-N 3.17Å; G661-Q664 WeakPolarHBondContact O-CG 3.33Å; G661-Q664 PolarHBondContact O-N 3.3Å; G661-Q664 PolarHBondContact O-NE2 2.91Å
662H94.9Very high94.5Very high139 Ų13948.4 Ų48.464%0.64427%0.27SS*.G310 helixtrans-69.1-11.7-172-69.285.6000115.2Q664 Q665H662-Q664 PolarHBondContact O-N 3.24Å; H662-Q665 WeakPolarHBondContact O-CB 3.45Å; H662-Q665 PolarHBondContact O-N 3.43Å
663M93.8Very high94.7Very high119 Ų11946.1 Ų46.159%0.58626%0.258SS*.G310 helixtrans-55.4-28.1172.8-65.7-172.4-71.500111.5T549 L660 G661 Q665 G666T549-M663 VanDerWaalsContact CG2-O 3.3Å; T549-M663 WeakPolarHBondContact CG2-O 3.21Å; L660-M663 WeakPolarHBondContact O-CE 3.44Å; G661-M663 PolarHBondContact O-N 2.9Å; G661-M663 VanDerWaalsContact O-N 3.17Å; M663-Q665 PolarHBondContact O-N 3.4Å; M663-G666 PolarHBondContact O-N 3.3Å
664Q95.7Very high94.9Very high3 Ų345.9 Ų45.91%0.01426%0.257CS..G310 helixtrans-64.8-17178-61.9174.685.200114A546 I550 T573 M574 L660 G661 H662 G666A546-Q664 WeakPolarHBondContact CA-O 3.37Å; A546-Q664 WeakPolarHBondContact CB-O 3.49Å; I550-Q664 HydrophobicContact CD1-CG 4.22Å; I550-Q664 VanDerWaalsContact CD1-OE1 3.29Å; I550-Q664 HydrophobicContact CG1-CB 4.41Å; I550-Q664 HydrophobicContact CG1-CG 3.74Å; T573-Q664 VanDerWaalsContact CA-OE1 3.25Å; M574-Q664 VanDerWaalsContact CG-NE2 3.27Å; M574-Q664 VanDerWaalsContact N-NE2 3.14Å; M574-Q664 HydrophobicContact SD-CB 4.14Å; L660-Q664 HydrophobicContact CB-CG 3.72Å; L660-Q664 HydrophobicContact CD1-CG 4.14Å; G661-Q664 WeakPolarHBondContact O-CG 3.33Å; G661-Q664 PolarHBondContact O-N 3.3Å; G661-Q664 PolarHBondContact O-NE2 2.91Å; H662-Q664 PolarHBondContact O-N 3.24Å; Q664-G666 PolarHBondContact O-N 3.49Å
665Q93.5Very high95.1Very high40 Ų4042.9 Ų42.919%0.18724%0.24CC..G310 helixtrans-67.8-14.9171.5-67.5179-9.400112.5V530 H662 M663V530-Q665 HydrophobicContact CG1-CG 4.38Å; H662-Q665 WeakPolarHBondContact O-CB 3.45Å; H662-Q665 PolarHBondContact O-N 3.43Å; M663-Q665 PolarHBondContact O-N 3.4Å
666G90.3Very high95.2Very high26 Ų2643.3 Ų43.327%0.26824%0.242SC..  trans74.3173.5-174.900000112.1M663 Q664M663-G666 PolarHBondContact O-N 3.3Å; Q664-G666 PolarHBondContact O-N 3.49Å
667G90.3Very high95.3Very high55 Ų5538 Ų3857%0.56722%0.222SC*.SBendtrans-100.4-82.9166.100000108.6G464G464-G667 WeakPolarHBondContact CA-O 3.43Å
668T92.3Very high95.4Very high79 Ų7934.1 Ų34.149%0.48520%0.202SC..SBendtrans-86.1133.2-179.5-61.20000111D192D192-T668 WeakPolarHBondContact OD2-CG2 3.14Å
669P96.7Very high95.3Very high3 Ų333.2 Ų33.22%0.01920%0.195CC..PPolyproline II helixtrans-64.6144.6178.923.1-30.9000112.4A414 D673 R674A414-P669 HydrophobicContact CB-CB 3.76Å; P669-D673 HydrophobicContact CB-CB 4.37Å; P669-R674 HydrophobicContact CB-CG 3.83Å; P669-R674 HydrophobicContact CG-CG 3.72Å; P669-R674 PolarHBondContact O-NE 3.15Å; P669-R674 PolarHBondContact O-NH2 3.05Å; P669-R674 VanDerWaalsContact O-NH2 3.15Å
670T97.9Very high95.3Very high11 Ų1129.7 Ų29.77%0.06717%0.174CC..PPolyproline II helixtrans-67159174.861.70000111.6H185 D544 T545 N548 F672 D673 R674H185-T670 VanDerWaalsContact CE1-CG2 3.41Å; H185-T670 WeakPolarHBondContact CE1-CG2 3.34Å; D544-T670 WeakPolarHBondContact OD2-CB 3.44Å; D544-T670 WeakPolarHBondContact OD2-CG2 3.22Å; D544-T670 PolarHBondContact OD2-OG1 3.5Å; T545-T670 HydrophobicContact CG2-CG2 4.28Å; T545-T670 PolarHBondContact OG1-N 2.94Å; T545-T670 PolarHBondContact OG1-OG1 3.2Å; N548-T670 HydrophobicContact CB-CG2 4.24Å; T670-F672 PolarHBondContact O-N 2.99Å; T670-D673 PolarHBondContact O-N 3.21Å; T670-D673 PolarHBondContact OG1-N 2.92Å; T670-R674 VanDerWaalsContact O-CG 3.31Å; T670-R674 WeakPolarHBondContact O-CG 3.28Å; T670-R674 PolarHBondContact O-N 3.43Å
671P97.4Very high95.3Very high2 Ų229.3 Ų29.31%0.01317%0.172CC..Hα-helixtrans-53.6-39.1175-19.328000112.4L184 H185 I188 S224 R674 N675L184-P671 VanDerWaalsContact C-CG 3.48Å; L184-P671 HydrophobicContact CB-CB 3.82Å; L184-P671 HydrophobicContact CB-CG 3.91Å; L184-P671 WeakPolarHBondContact O-CG 3.49Å; H185-P671 HydrophobicContact CB-CG 4.43Å; I188-P671 HydrophobicContact CB-CG 4.06Å; I188-P671 HydrophobicContact CG1-CB 3.96Å; I188-P671 HydrophobicContact CG1-CG 3.76Å; S224-P671 PolarHBondContact OG-O 2.94Å; P671-R674 PolarHBondContact O-N 3.48Å; P671-N675 WeakPolarHBondContact O-CB 3.35Å; P671-N675 PolarHBondContact O-N 3.46Å
672F96.4Very high95.4Very high49 Ų4928.3 Ų28.322%0.21516%0.162CC..Hα-helixtrans-59-55.2175.5-177.9-89.4000111.5D544 T670 R674 N675 F676D544-F672 HydrophobicContact CB-CB 4.29Å; D544-F672 HydrophobicContact CB-CD1 3.64Å; D544-F672 HydrophobicContact CB-CE1 4.37Å; D544-F672 HydrophobicContact CB-CG 4.23Å; T670-F672 PolarHBondContact O-N 2.99Å; F672-R674 VanDerWaalsContact C-N 3.3Å; F672-R674 PolarHBondContact O-N 3.35Å; F672-N675 PolarHBondContact O-N 3.03Å; F672-F676 HydrophobicContact CD1-CB 4.36Å; F672-F676 HydrophobicContact CE1-CB 4.11Å; F672-F676 HydrophobicContact CE1-CD1 4.35Å; F672-F676 HydrophobicContact CE1-CG 4.18Å; F672-F676 HydrophobicContact CZ-CB 4.47Å; F672-F676 HydrophobicContact CZ-CD2 4.49Å; F672-F676 HydrophobicContact CZ-CG 4.38Å; F672-F676 WeakPolarHBondContact O-CB 3.49Å; F672-F676 PolarHBondContact O-N 2.81Å
673D97.9Very high95.5Very high0 Ų025.3 Ų25.30%015%0.147CC..Hα-helixtrans-65.6-32.3-177.4-82.6-38000112.9G542 T545 P669 T670 G677G542-D673 WeakPolarHBondContact CA-OD2 3.45Å; G542-D673 PolarHBondContact N-OD1 2.85Å; G542-D673 PolarHBondContact N-OD2 2.81Å; T545-D673 VanDerWaalsContact CB-OD2 3.27Å; T545-D673 WeakPolarHBondContact CB-OD2 3.46Å; T545-D673 PolarHBondContact N-OD2 3.41Å; T545-D673 PolarHBondContact OG1-OD2 3.04Å; P669-D673 HydrophobicContact CB-CB 4.37Å; T670-D673 PolarHBondContact O-N 3.21Å; T670-D673 PolarHBondContact OG1-N 2.92Å; D673-G677 PolarHBondContact O-N 3.17Å
674R97.6Very high95.6Very high3 Ų319.7 Ų19.71%0.01112%0.119CC..Hα-helixtrans-65.4-50.6173.3-67.7-170-154.5-165.63.5112D192 S224 T461 P669 T670 P671 F672 T678D192-R674 IonicContact OD1-CZ 2.93Å; D192-R674 IonicContact OD1-NH1 2.81Å; D192-R674 PolarHBondContact OD1-NH1 2.86Å; D192-R674 IonicContact OD1-NH2 3.83Å; D192-R674 PolarHBondContact OD1-NH2 3.09Å; D192-R674 IonicContact OD2-CZ 2.88Å; D192-R674 IonicContact OD2-NH1 3.07Å; D192-R674 IonicContact OD2-NH2 2.8Å; D192-R674 PolarHBondContact OD2-NH2 2.9Å; S224-R674 WeakPolarHBondContact O-CD 3.33Å; T461-R674 HydrophobicContact CG2-CB 4.1Å; T461-R674 HydrophobicContact CG2-CG 4.36Å; T461-R674 WeakPolarHBondContact O-CD 3.28Å; T461-R674 WeakPolarHBondContact O-CG 3.4Å; P669-R674 HydrophobicContact CB-CG 3.83Å; P669-R674 HydrophobicContact CG-CG 3.72Å; P669-R674 PolarHBondContact O-NE 3.15Å; P669-R674 PolarHBondContact O-NH2 3.05Å; P669-R674 VanDerWaalsContact O-NH2 3.15Å; T670-R674 VanDerWaalsContact O-CG 3.31Å; T670-R674 WeakPolarHBondContact O-CG 3.28Å; T670-R674 PolarHBondContact O-N 3.43Å; P671-R674 PolarHBondContact O-N 3.48Å; F672-R674 VanDerWaalsContact C-N 3.3Å; F672-R674 PolarHBondContact O-N 3.35Å; R674-T678 VanDerWaalsContact O-CB 3.3Å; R674-T678 WeakPolarHBondContact O-CB 3.47Å; R674-T678 PolarHBondContact O-N 2.93Å; R674-T678 PolarHBondContact O-OG1 2.85Å
675N96.1Very high95.7Very high16 Ų1619.6 Ų19.69%0.08612%0.118CC..Hα-helixtrans-67-45.8-179.8-175.824.4000110.8V220 P671 F672 T678 K679V220-N675 HydrophobicContact CG1-CB 4.3Å; P671-N675 WeakPolarHBondContact O-CB 3.35Å; P671-N675 PolarHBondContact O-N 3.46Å; F672-N675 PolarHBondContact O-N 3.03Å; N675-T678 PolarHBondContact O-N 2.92Å; N675-K679 VanDerWaalsContact O-CG 3.31Å; N675-K679 WeakPolarHBondContact O-CG 3.27Å; N675-K679 PolarHBondContact O-N 3.32Å; N675-K679 WeakPolarHBondContact OD1-CD 3.19Å
676F95.8Very high95.8Very high13 Ų1320.3 Ų20.36%0.05712%0.123CC..Hα-helixtrans-61.3-49.3178.7-170.4-119.4000111F539 I541 F672 T678 K679 M680 M714 L719F539-F676 HydrophobicContact CB-CE1 4.43Å; F539-F676 HydrophobicContact CB-CZ 4.45Å; I541-F676 HydrophobicContact CG1-CD1 3.66Å; I541-F676 HydrophobicContact CG1-CE1 4.05Å; F672-F676 HydrophobicContact CD1-CB 4.36Å; F672-F676 HydrophobicContact CE1-CB 4.11Å; F672-F676 HydrophobicContact CE1-CD1 4.35Å; F672-F676 HydrophobicContact CE1-CG 4.18Å; F672-F676 HydrophobicContact CZ-CB 4.47Å; F672-F676 HydrophobicContact CZ-CD2 4.49Å; F672-F676 HydrophobicContact CZ-CG 4.38Å; F672-F676 WeakPolarHBondContact O-CB 3.49Å; F672-F676 PolarHBondContact O-N 2.81Å; F676-T678 VanDerWaalsContact C-N 3.34Å; F676-T678 PolarHBondContact O-N 3.11Å; F676-K679 PolarHBondContact O-N 2.92Å; F676-M680 HydrophobicContact CD1-CG 4.3Å; F676-M680 HydrophobicContact CD2-CG 4.33Å; F676-M680 HydrophobicContact CE1-CE 3.86Å; F676-M680 HydrophobicContact CE1-CG 4.13Å; F676-M680 HydrophobicContact CE1-SD 4.43Å; F676-M680 HydrophobicContact CE2-CE 4.34Å; F676-M680 HydrophobicContact CE2-CG 4.18Å; F676-M680 HydrophobicContact CE2-SD 4.07Å; F676-M680 HydrophobicContact CG-CG 4.39Å; F676-M680 HydrophobicContact CZ-CE 3.56Å; F676-M680 HydrophobicContact CZ-CG 4.06Å; F676-M680 HydrophobicContact CZ-SD 3.88Å; F676-M680 WeakPolarHBondContact O-CB 3.3Å; F676-M680 WeakPolarHBondContact O-CG 3.38Å; F676-M680 PolarHBondContact O-N 3.27Å; F676-M714 HydrophobicContact CE2-CB 4.03Å; F676-M714 HydrophobicContact CE2-SD 3.9Å; F676-M714 HydrophobicContact CZ-CB 3.95Å; F676-L719 HydrophobicContact CE2-CD2 3.84Å; F676-L719 HydrophobicContact CZ-CD2 4.47Å
677G96.8Very high96.1Very high0 Ų020.7 Ų20.70%012%0.117CC..Hα-helixtrans-56.8-45.9173.900000112.6A419 D673 K679 M680 G681A419-G677 WeakPolarHBondContact CA-O 3.47Å; A419-G677 WeakPolarHBondContact CB-O 3.27Å; D673-G677 PolarHBondContact O-N 3.17Å; G677-K679 VanDerWaalsContact C-N 3.35Å; G677-K679 PolarHBondContact O-N 2.99Å; G677-M680 PolarHBondContact O-N 3.02Å; G677-G681 PolarHBondContact O-N 2.87Å
678T96.2Very high96.4Very high0 Ų018.1 Ų18.10%09%0.09CC..Hα-helixtrans-58.2-45.5177.3-62.40000112L223 T386 L390 A422 R674 N675 F676 A682L223-T678 HydrophobicContact CD2-CG2 4.38Å; T386-T678 HydrophobicContact CG2-CG2 4.48Å; L390-T678 HydrophobicContact CD1-CG2 3.54Å; A422-T678 HydrophobicContact CB-CG2 3.98Å; A422-T678 WeakPolarHBondContact CB-O 2.92Å; R674-T678 VanDerWaalsContact O-CB 3.3Å; R674-T678 WeakPolarHBondContact O-CB 3.47Å; R674-T678 PolarHBondContact O-N 2.93Å; R674-T678 PolarHBondContact O-OG1 2.85Å; N675-T678 PolarHBondContact O-N 2.92Å; F676-T678 VanDerWaalsContact C-N 3.34Å; F676-T678 PolarHBondContact O-N 3.11Å; T678-A682 WeakPolarHBondContact O-CB 3.44Å; T678-A682 PolarHBondContact O-N 2.92Å
679K94.8Very high96.5Very high34 Ų3414.6 Ų14.615%0.1487%0.068CC..Hα-helixtrans-67-42.5178.9-71170.766.9165.90112.3N383 T386 N675 F676 G677 K683 L719N383-K679 WeakPolarHBondContact OD1-CD 3.3Å; N383-K679 WeakPolarHBondContact OD1-CE 3.44Å; N383-K679 PolarHBondContact OD1-NZ 2.88Å; T386-K679 HydrophobicContact CG2-CG 4.42Å; N675-K679 VanDerWaalsContact O-CG 3.31Å; N675-K679 WeakPolarHBondContact O-CG 3.27Å; N675-K679 PolarHBondContact O-N 3.32Å; N675-K679 WeakPolarHBondContact OD1-CD 3.19Å; F676-K679 PolarHBondContact O-N 2.92Å; G677-K679 VanDerWaalsContact C-N 3.35Å; G677-K679 PolarHBondContact O-N 2.99Å; K679-K683 WeakPolarHBondContact O-CB 3.32Å; K679-K683 PolarHBondContact O-N 3.47Å; K679-L719 HydrophobicContact CB-CD1 4.4Å
680M96.2Very high96.4Very high0 Ų018.6 Ų18.60%09%0.09CC..Hα-helixtrans-63.6-48.5178.4-65.6-72.7-103.400110.5I526 I541 F676 G677 A682 K683 S684 L712 L719I526-M680 HydrophobicContact CD1-CB 4.28Å; I526-M680 HydrophobicContact CG2-CB 3.73Å; I526-M680 HydrophobicContact CG2-CE 4.22Å; I526-M680 HydrophobicContact CG2-CG 4.32Å; I541-M680 HydrophobicContact CD1-CB 4.37Å; I541-M680 HydrophobicContact CD1-CG 4.48Å; F676-M680 HydrophobicContact CD1-CG 4.3Å; F676-M680 HydrophobicContact CD2-CG 4.33Å; F676-M680 HydrophobicContact CE1-CE 3.86Å; F676-M680 HydrophobicContact CE1-CG 4.13Å; F676-M680 HydrophobicContact CE1-SD 4.43Å; F676-M680 HydrophobicContact CE2-CE 4.34Å; F676-M680 HydrophobicContact CE2-CG 4.18Å; F676-M680 HydrophobicContact CE2-SD 4.07Å; F676-M680 HydrophobicContact CG-CG 4.39Å; F676-M680 HydrophobicContact CZ-CE 3.56Å; F676-M680 HydrophobicContact CZ-CG 4.06Å; F676-M680 HydrophobicContact CZ-SD 3.88Å; F676-M680 WeakPolarHBondContact O-CB 3.3Å; F676-M680 WeakPolarHBondContact O-CG 3.38Å; F676-M680 PolarHBondContact O-N 3.27Å; G677-M680 PolarHBondContact O-N 3.02Å; M680-A682 PolarHBondContact O-N 2.95Å; M680-K683 PolarHBondContact O-N 2.98Å; M680-S684 VanDerWaalsContact O-CB 3.24Å; M680-S684 WeakPolarHBondContact O-CB 3.36Å; M680-S684 PolarHBondContact O-N 2.86Å; M680-S684 PolarHBondContact O-OG 2.79Å; M680-L712 HydrophobicContact CB-CD2 4.48Å; M680-L712 HydrophobicContact CE-CG 4.34Å; M680-L712 WeakPolarHBondContact CE-O 3.5Å; M680-L712 WeakPolarHBondContact O-CD2 3.4Å; M680-L712 HydrophobicContact SD-CD2 4.15Å; M680-L712 HydrophobicContact SD-CG 3.85Å; M680-L719 HydrophobicContact SD-CD1 4.23Å; M680-L719 HydrophobicContact SD-CD2 3.63Å; M680-L719 HydrophobicContact SD-CG 4.48Å
681G97.1Very high96.3Very high0 Ų019.4 Ų19.40%09%0.092CC..Hα-helixtrans-59.1-48.4177.100000112.1G677 S684 I685G677-G681 PolarHBondContact O-N 2.87Å; G681-S684 PolarHBondContact O-N 2.86Å; G681-S684 PolarHBondContact O-OG 2.96Å; G681-I685 PolarHBondContact O-N 3.35Å
682A95.8Very high96.1Very high3 Ų319.4 Ų19.43%0.0259%0.092CC..Hα-helixtrans-63.2-48179.300000112.7T386 A422 M426 T678 M680 S684 I685 L686T386-A682 HydrophobicContact CG2-CB 4.13Å; A422-A682 HydrophobicContact CB-CB 4.47Å; M426-A682 HydrophobicContact CG-CB 3.54Å; M426-A682 HydrophobicContact SD-CB 4.39Å; T678-A682 WeakPolarHBondContact O-CB 3.44Å; T678-A682 PolarHBondContact O-N 2.92Å; M680-A682 PolarHBondContact O-N 2.95Å; A682-S684 VanDerWaalsContact C-N 3.29Å; A682-S684 PolarHBondContact O-N 3.39Å; A682-I685 PolarHBondContact O-N 3.48Å; A682-L686 PolarHBondContact O-N 3.3Å
683K96.1Very high95.8Very high76 Ų7623.6 Ų23.633%0.3311%0.11SC..Hα-helixtrans-65.5-33.2-179.4-174.4167.7-176.7169.70112.5K679 M680 I685 L686 W687 L712 L719 F721K679-K683 WeakPolarHBondContact O-CB 3.32Å; K679-K683 PolarHBondContact O-N 3.47Å; M680-K683 PolarHBondContact O-N 2.98Å; K683-I685 VanDerWaalsContact C-N 3.32Å; K683-I685 PolarHBondContact O-N 2.9Å; K683-L686 PolarHBondContact O-N 2.92Å; K683-W687 PolarHBondContact O-N 3.35Å; K683-W687 VanDerWaalsContact O-N 3.13Å; K683-L712 HydrophobicContact CB-CD2 4.21Å; K683-L712 HydrophobicContact CD-CD1 4.32Å; K683-L712 HydrophobicContact CG-CD2 4.39Å; K683-L719 HydrophobicContact CD-CB 3.76Å; K683-L719 HydrophobicContact CD-CD1 3.84Å; K683-L719 HydrophobicContact CD-CG 4.46Å; K683-L719 PolarHBondContact NZ-O 3.35Å; K683-F721 HydrophobicContact CD-CE2 4.36Å; K683-F721 HydrophobicContact CG-CE2 4.07Å; K683-F721 HydrophobicContact CG-CZ 3.99Å
684S97.6Very high95.5Very high0 Ų029.1 Ų29.10%014%0.136CC..Hα-helixtrans-60.5-42.1177.877.30000112.2M680 G681 A682 L688M680-S684 VanDerWaalsContact O-CB 3.24Å; M680-S684 WeakPolarHBondContact O-CB 3.36Å; M680-S684 PolarHBondContact O-N 2.86Å; M680-S684 PolarHBondContact O-OG 2.79Å; G681-S684 PolarHBondContact O-N 2.86Å; G681-S684 PolarHBondContact O-OG 2.96Å; A682-S684 VanDerWaalsContact C-N 3.29Å; A682-S684 PolarHBondContact O-N 3.39Å; S684-L688 WeakPolarHBondContact O-CB 3.38Å; S684-L688 WeakPolarHBondContact O-CG 3.33Å; S684-L688 PolarHBondContact O-N 2.97Å
685I97.3Very high95.1Very high1 Ų129.5 Ų29.51%0.00514%0.139CC..Hα-helixtrans-70.2-48.4178.7-66.9-65.3000111.3V404 A423 M426 E430 M434 V495 G681 A682 K683 W687 L688 T689V404-I685 HydrophobicContact CG1-CD1 4.13Å; A423-I685 HydrophobicContact CB-CD1 4.27Å; A423-I685 HydrophobicContact CB-CG1 3.96Å; A423-I685 VanDerWaalsContact O-CG1 3.31Å; A423-I685 WeakPolarHBondContact O-CG1 3.38Å; M426-I685 HydrophobicContact CB-CB 4.01Å; M426-I685 HydrophobicContact CB-CG1 4.29Å; M426-I685 HydrophobicContact CB-CG2 4.04Å; E430-I685 HydrophobicContact CG-CG2 4.21Å; M434-I685 HydrophobicContact CE-CD1 3.9Å; V495-I685 HydrophobicContact CG2-CD1 3.9Å; G681-I685 PolarHBondContact O-N 3.35Å; A682-I685 PolarHBondContact O-N 3.48Å; K683-I685 VanDerWaalsContact C-N 3.32Å; K683-I685 PolarHBondContact O-N 2.9Å; I685-W687 PolarHBondContact O-N 3.24Å; I685-L688 HydrophobicContact CD1-CD1 4.49Å; I685-L688 CarbonylContact O-C 3.56Å; I685-L688 WeakPolarHBondContact O-CA 3.4Å; I685-L688 WeakPolarHBondContact O-CB 3.35Å; I685-L688 PolarHBondContact O-N 3.48Å; I685-T689 PolarHBondContact O-N 2.9Å; I685-T689 PolarHBondContact O-OG1 3.31Å
686L95Very high94.6Very high56 Ų5631.6 Ų31.629%0.29315%0.154SC..Hα-helixtrans-54.4-43.3179.5-67.6174.2000111.3L389 M426 E430 A682 K683 T689 D690L389-L686 HydrophobicContact CD1-CD1 4.03Å; M426-L686 HydrophobicContact CE-CD1 4.49Å; M426-L686 HydrophobicContact CE-CD2 3.81Å; M426-L686 HydrophobicContact CE-CG 4.19Å; E430-L686 HydrophobicContact CG-CD2 4.4Å; E430-L686 WeakPolarHBondContact OE1-CD2 3.42Å; A682-L686 PolarHBondContact O-N 3.3Å; K683-L686 PolarHBondContact O-N 2.92Å; L686-T689 PolarHBondContact O-N 3.27Å; L686-D690 PolarHBondContact O-N 2.7Å
687W96.5Very high93.8Very high33 Ų3339.5 Ų39.513%0.12518%0.184CC..Hα-helixtrans-66.2-42.6174.9178.285.6000113.2V524 K683 I685 D690 K691 N707 C710 F721V524-W687 HydrophobicContact CB-CE3 4.32Å; V524-W687 HydrophobicContact CB-CZ3 4.12Å; K683-W687 PolarHBondContact O-N 3.35Å; K683-W687 VanDerWaalsContact O-N 3.13Å; I685-W687 PolarHBondContact O-N 3.24Å; W687-D690 PolarHBondContact O-N 3.48Å; W687-K691 HydrophobicContact CD2-CG 3.84Å; W687-K691 VanDerWaalsContact CE2-CG 3.48Å; W687-K691 HydrophobicContact CE3-CG 4.21Å; W687-K691 HydrophobicContact CG-CG 4.43Å; W687-K691 HydrophobicContact CH2-CG 3.95Å; W687-K691 HydrophobicContact CZ2-CD 3.97Å; W687-K691 HydrophobicContact CZ2-CG 3.56Å; W687-K691 HydrophobicContact CZ3-CG 4.26Å; W687-K691 WeakPolarHBondContact O-CB 3.17Å; W687-K691 WeakPolarHBondContact O-CG 3.31Å; W687-K691 PolarHBondContact O-N 2.94Å; W687-N707 WeakPolarHBondContact CZ2-O 3.43Å; W687-C710 HydrophobicContact CH2-CB 3.93Å; W687-C710 HydrophobicContact CZ2-CB 4.05Å; W687-C710 VanDerWaalsContact CZ2-SG 3.59Å; W687-F721 HydrophobicContact CB-CD1 4.45Å; W687-F721 HydrophobicContact CB-CD2 4.45Å; W687-F721 HydrophobicContact CB-CE1 3.62Å; W687-F721 HydrophobicContact CB-CE2 3.62Å; W687-F721 HydrophobicContact CB-CZ 3.14Å; W687-F721 AromaticContact CD1-CD2 3.58Å; W687-F721 AromaticContact CD1-CE2 3.58Å; W687-F721 AromaticContact CD1-CG 3.82Å; W687-F721 AromaticContact CD1-CZ 3.83Å; W687-F721 AromaticContact CD2-CD1 3.67Å; W687-F721 HydrophobicContact CD2-CD1 3.67Å; W687-F721 AromaticContact CD2-CE1 3.56Å; W687-F721 HydrophobicContact CD2-CE1 3.56Å; W687-F721 HydrophobicContact CD2-CE2 4.49Å; W687-F721 HydrophobicContact CD2-CG 4.2Å; W687-F721 HydrophobicContact CD2-CZ 4.02Å; W687-F721 AromaticContact CE2-CD1 3.84Å; W687-F721 HydrophobicContact CE3-CD1 4.13Å; W687-F721 AromaticContact CE3-CE1 3.89Å; W687-F721 HydrophobicContact CE3-CE1 3.89Å; W687-F721 AromaticContact CG-CD1 3.81Å; W687-F721 HydrophobicContact CG-CD1 3.81Å; W687-F721 AromaticContact CG-CD2 3.96Å; W687-F721 HydrophobicContact CG-CD2 3.96Å; W687-F721 AromaticContact CG-CE1 3.44Å; W687-F721 HydrophobicContact CG-CE1 3.44Å; W687-F721 VanDerWaalsContact CG-CE1 3.44Å; W687-F721 AromaticContact CG-CE2 3.61Å; W687-F721 HydrophobicContact CG-CE2 3.61Å; W687-F721 HydrophobicContact CG-CG 4.06Å; W687-F721 AromaticContact CG-CZ 3.35Å; W687-F721 HydrophobicContact CG-CZ 3.35Å; W687-F721 HydrophobicContact CZ2-CD1 4.43Å; W687-F721 AromaticContact NE1-CD2 3.96Å; W687-F721 AromaticContact NE1-CG 3.77Å
688L96.9Very high92.8Very high1 Ų149.1 Ų49.11%0.00523%0.228CC..Hα-helixtrans-61.3-43.9175.7-78.5175.4000111.5V404 A493 V495 P522 V524 S684 I685 D690 K691 L692V404-L688 HydrophobicContact CG1-CD1 4.35Å; A493-L688 HydrophobicContact CB-CD1 4.18Å; A493-L688 HydrophobicContact CB-CD2 4.11Å; V495-L688 HydrophobicContact CG2-CD1 3.46Å; V495-L688 VanDerWaalsContact CG2-CD1 3.46Å; P522-L688 HydrophobicContact CB-CD2 3.96Å; P522-L688 HydrophobicContact CG-CD2 4.37Å; V524-L688 HydrophobicContact CG1-CD1 3.86Å; V524-L688 HydrophobicContact CG1-CD2 4.47Å; V524-L688 HydrophobicContact CG1-CG 4.09Å; S684-L688 WeakPolarHBondContact O-CB 3.38Å; S684-L688 WeakPolarHBondContact O-CG 3.33Å; S684-L688 PolarHBondContact O-N 2.97Å; I685-L688 HydrophobicContact CD1-CD1 4.49Å; I685-L688 CarbonylContact O-C 3.56Å; I685-L688 WeakPolarHBondContact O-CA 3.4Å; I685-L688 WeakPolarHBondContact O-CB 3.35Å; I685-L688 PolarHBondContact O-N 3.48Å; L688-D690 VanDerWaalsContact C-N 3.31Å; L688-D690 PolarHBondContact O-N 3.45Å; L688-K691 CarbonylContact O-C 3.58Å; L688-K691 PolarHBondContact O-N 3.3Å; L688-L692 VanDerWaalsContact O-CB 3.3Å; L688-L692 WeakPolarHBondContact O-CB 3.49Å; L688-L692 WeakPolarHBondContact O-CD1 3.31Å; L688-L692 WeakPolarHBondContact O-CG 3.33Å; L688-L692 PolarHBondContact O-N 2.65Å
689T95.1Very high91.7Very high6 Ų652.7 Ų52.74%0.03727%0.265CS..Hα-helixtrans-58.2-43.6178.1-57.80000111.3E430 H432 I685 L686 K693E430-T689 HydrophobicContact CB-CG2 4.35Å; E430-T689 HydrophobicContact CG-CG2 4.4Å; H432-T689 PolarHBondContact NE2-OG1 2.86Å; I685-T689 PolarHBondContact O-N 2.9Å; I685-T689 PolarHBondContact O-OG1 3.31Å; L686-T689 PolarHBondContact O-N 3.27Å; T689-K693 WeakPolarHBondContact O-CG 3.32Å; T689-K693 PolarHBondContact O-N 2.98Å
690D94.3Very high91.2Very high87 Ų8757.7 Ų57.747%0.46528%0.283SS..Hα-helixtrans-69.4-42.3175.9-70.8-21.1000111.8L686 W687 L688 L692 K693 E694L686-D690 PolarHBondContact O-N 2.7Å; W687-D690 PolarHBondContact O-N 3.48Å; L688-D690 VanDerWaalsContact C-N 3.31Å; L688-D690 PolarHBondContact O-N 3.45Å; D690-L692 VanDerWaalsContact C-N 3.33Å; D690-L692 PolarHBondContact O-N 2.84Å; D690-K693 WeakPolarHBondContact O-CB 3.13Å; D690-K693 PolarHBondContact O-N 3.35Å; D690-K693 IonicContact OD1-NZ 3.3Å; D690-K693 PolarHBondContact OD1-NZ 3.45Å; D690-E694 PolarHBondContact O-N 3.25Å; D690-E694 VanDerWaalsContact O-N 3.1Å
691K94.8Very high90.8Very high27 Ų2759 Ų5912%0.11729%0.29CS..Hα-helixtrans-64.7-35.1176.7-75.2-69.9167.2-137.60113.5P522 W687 L688 K693 E694 C695P522-K691 HydrophobicContact CB-CB 4.37Å; W687-K691 HydrophobicContact CD2-CG 3.84Å; W687-K691 VanDerWaalsContact CE2-CG 3.48Å; W687-K691 HydrophobicContact CE3-CG 4.21Å; W687-K691 HydrophobicContact CG-CG 4.43Å; W687-K691 HydrophobicContact CH2-CG 3.95Å; W687-K691 HydrophobicContact CZ2-CD 3.97Å; W687-K691 HydrophobicContact CZ2-CG 3.56Å; W687-K691 HydrophobicContact CZ3-CG 4.26Å; W687-K691 WeakPolarHBondContact O-CB 3.17Å; W687-K691 WeakPolarHBondContact O-CG 3.31Å; W687-K691 PolarHBondContact O-N 2.94Å; L688-K691 CarbonylContact O-C 3.58Å; L688-K691 PolarHBondContact O-N 3.3Å; K691-K693 VanDerWaalsContact C-N 3.3Å; K691-K693 PolarHBondContact O-N 3.47Å; K691-E694 IonicContact NZ-OE1 3.79Å; K691-E694 PolarHBondContact NZ-OE1 2.82Å; K691-E694 IonicContact NZ-OE2 3.56Å; K691-E694 PolarHBondContact NZ-OE2 2.92Å; K691-E694 PolarHBondContact O-N 3.39Å; K691-C695 WeakPolarHBondContact O-CB 3.43Å; K691-C695 PolarHBondContact O-N 3.49Å; K691-C695 PolarHBondContact O-SG 2.75Å
692L93.6Very high90.6Very high2 Ų262.7 Ų62.71%0.0131%0.306CS..Hα-helixtrans-62.8-39.1175.2-75.9161.8000111I402 H492 A493 P522 L688 D690 C695 C696 I701I402-L692 HydrophobicContact CD1-CD1 4.48Å; I402-L692 HydrophobicContact CG2-CD1 3.74Å; H492-L692 HydrophobicContact CB-CD2 4.18Å; H492-L692 WeakPolarHBondContact O-CD2 3.47Å; A493-L692 HydrophobicContact CB-CD1 4.14Å; A493-L692 HydrophobicContact CB-CD2 4.24Å; A493-L692 HydrophobicContact CB-CG 4.5Å; P522-L692 HydrophobicContact CG-CD2 3.59Å; P522-L692 HydrophobicContact CG-CG 3.89Å; L688-L692 VanDerWaalsContact O-CB 3.3Å; L688-L692 WeakPolarHBondContact O-CB 3.49Å; L688-L692 WeakPolarHBondContact O-CD1 3.31Å; L688-L692 WeakPolarHBondContact O-CG 3.33Å; L688-L692 PolarHBondContact O-N 2.65Å; D690-L692 VanDerWaalsContact C-N 3.33Å; D690-L692 PolarHBondContact O-N 2.84Å; L692-C695 PolarHBondContact O-N 3.19Å; L692-C696 VanDerWaalsContact O-CB 3.3Å; L692-C696 WeakPolarHBondContact O-CB 3.47Å; L692-C696 PolarHBondContact O-N 3.26Å; L692-I701 HydrophobicContact CD2-CD1 3.61Å; L692-I701 HydrophobicContact CD2-CG1 4.41Å; L692-I701 HydrophobicContact CD2-CG2 4.1Å
693K91.3Very high90.3Very high137 Ų13762.6 Ų62.660%0.59631%0.305SS*.Hα-helixtrans-64.7-43.3173.6-64.4166.1-168.7161.10111.4T689 D690 K691 C695T689-K693 WeakPolarHBondContact O-CG 3.32Å; T689-K693 PolarHBondContact O-N 2.98Å; D690-K693 WeakPolarHBondContact O-CB 3.13Å; D690-K693 PolarHBondContact O-N 3.35Å; D690-K693 IonicContact OD1-NZ 3.3Å; D690-K693 PolarHBondContact OD1-NZ 3.45Å; K691-K693 VanDerWaalsContact C-N 3.3Å; K691-K693 PolarHBondContact O-N 3.47Å; K693-C695 VanDerWaalsContact C-N 3.35Å; K693-C695 PolarHBondContact O-N 2.78Å
694E90.5Very high90Very high116 Ų11663.4 Ų63.454%0.54231%0.313SS..Hα-helixtrans-64.3-37.4177-66.9176.4-151.900113D690 K691D690-E694 PolarHBondContact O-N 3.25Å; D690-E694 VanDerWaalsContact O-N 3.1Å; K691-E694 IonicContact NZ-OE1 3.79Å; K691-E694 PolarHBondContact NZ-OE1 2.82Å; K691-E694 IonicContact NZ-OE2 3.56Å; K691-E694 PolarHBondContact NZ-OE2 2.92Å; K691-E694 PolarHBondContact O-N 3.39Å
695C89.6Confident89.6Confident12 Ų1266.9 Ų66.98%0.08133%0.334CS..Hα-helixtrans-89.6-5.1-175.8-60.10000113.7K691 L692 K693 I701 F702 A703K691-C695 WeakPolarHBondContact O-CB 3.43Å; K691-C695 PolarHBondContact O-N 3.49Å; K691-C695 PolarHBondContact O-SG 2.75Å; L692-C695 PolarHBondContact O-N 3.19Å; K693-C695 VanDerWaalsContact C-N 3.35Å; K693-C695 PolarHBondContact O-N 2.78Å; C695-I701 HydrophobicContact CB-CG2 4.49Å; C695-F702 PolarHBondContact O-N 2.76Å; C695-A703 HydrophobicContact CB-CB 3.85Å; C695-A703 VanDerWaalsContact SG-CB 3.57Å
696C86.3Confident89Confident59 Ų5969.7 Ų69.740%0.39935%0.354SS..EExtended strand (participates in β ladder)trans-80.7119.9177.9-172.30000110.3L692 R700 I701L692-C696 VanDerWaalsContact O-CB 3.3Å; L692-C696 WeakPolarHBondContact O-CB 3.47Å; L692-C696 PolarHBondContact O-N 3.26Å; C696-R700 WeakPolarHBondContact CA-O 3.41Å; C696-I701 HydrophobicContact CB-CG1 4.39Å
697R78.3Confident88.8Confident179 Ų17970.8 Ų70.868%0.67536%0.36SS*.EExtended strand (participates in β ladder)trans-130.6126.2175.3-63.7-175.6-179-177.20.6109.4G699 R700R697-G699 PolarHBondContact O-N 3.04Å; R697-G699 VanDerWaalsContact O-N 3.15Å; R697-R700 PolarHBondContact N-O 3.13Å; R697-R700 PolarHBondContact O-N 3.2Å; R697-R700 VanDerWaalsContact O-O 3.09Å
698H75.5Confident88.8Confident202 Ų20269.2 Ų69.294%0.93535%0.354SS*.THydrogen-bonded Turntrans5234-179.3-52.499.5000114.2R700H698-R700 VanDerWaalsContact C-N 3.29Å; H698-R700 PolarHBondContact O-N 3.21Å
699G73.6Confident88.8Confident75 Ų7569.1 Ų69.177%0.77335%0.354SS*.THydrogen-bonded Turntrans79.92.3-179.300000115.3R697R697-G699 PolarHBondContact O-N 3.04Å; R697-G699 VanDerWaalsContact O-N 3.15Å
700R83.6Confident88.9Confident139 Ų13969.1 Ų69.153%0.52535%0.354SS..EExtended strand (participates in β ladder)trans-110.5140.2172.9-169.3177.9-174-163.91.3110.5E517 C696 R697 H698E517-R700 VanDerWaalsContact CD-CZ 3.49Å; E517-R700 IonicContact OE1-CZ 2.98Å; E517-R700 IonicContact OE1-NH1 3.04Å; E517-R700 PolarHBondContact OE1-NH1 3.1Å; E517-R700 IonicContact OE1-NH2 3.3Å; E517-R700 PolarHBondContact OE1-NH2 3.49Å; E517-R700 IonicContact OE2-CZ 2.82Å; E517-R700 IonicContact OE2-NH1 2.65Å; E517-R700 PolarHBondContact OE2-NH1 3.2Å; E517-R700 IonicContact OE2-NH2 3.14Å; E517-R700 PolarHBondContact OE2-NH2 2.88Å; C696-R700 WeakPolarHBondContact CA-O 3.41Å; R697-R700 PolarHBondContact N-O 3.13Å; R697-R700 PolarHBondContact O-N 3.2Å; R697-R700 VanDerWaalsContact O-O 3.09Å; H698-R700 VanDerWaalsContact C-N 3.29Å; H698-R700 PolarHBondContact O-N 3.21Å
701I88.8Confident89.1Confident29 Ų2965 Ų6515%0.14933%0.332CS..EExtended strand (participates in β ladder)trans-89.7125174.8-68.8165.2000108.5H492 L692 C695 C696H492-I701 HydrophobicContact CB-CD1 3.67Å; L692-I701 HydrophobicContact CD2-CD1 3.61Å; L692-I701 HydrophobicContact CD2-CG1 4.41Å; L692-I701 HydrophobicContact CD2-CG2 4.1Å; C695-I701 HydrophobicContact CB-CG2 4.49Å; C696-I701 HydrophobicContact CB-CG1 4.39Å
702F91.8Very high89.2Confident77 Ų7763.7 Ų63.734%0.33833%0.326SS..  trans-144.2105.8178-172.9-100.4000110.6E517 C520 C695 N704E517-F702 HydrophobicContact CG-CD2 4.12Å; E517-F702 HydrophobicContact CG-CE2 3.66Å; C520-F702 HydrophobicContact CB-CD2 3.63Å; C520-F702 HydrophobicContact CB-CE2 3.56Å; C520-F702 HydrophobicContact CB-CG 4.43Å; C520-F702 HydrophobicContact CB-CZ 4.33Å; C520-F702 VanDerWaalsContact SG-CE2 3.57Å; C695-F702 PolarHBondContact O-N 2.76Å; F702-N704 HydrophobicContact CD1-CB 4.35Å; F702-N704 HydrophobicContact CE1-CB 3.62Å; F702-N704 HydrophobicContact CZ-CB 3.83Å
703A90.9Very high89.2Confident1 Ų163.6 Ų63.61%0.00833%0.326CS..  trans-120.272.7-169.400000111.3R513 C520 P522 C695 S708R513-A703 PolarHBondContact NH1-O 2.98Å; R513-A703 PolarHBondContact NH2-O 3.13Å; C520-A703 PolarHBondContact O-N 2.91Å; P522-A703 HydrophobicContact CB-CB 4.45Å; C695-A703 HydrophobicContact CB-CB 3.85Å; C695-A703 VanDerWaalsContact SG-CB 3.57Å; A703-S708 PolarHBondContact O-OG 3.04Å
704N88.1Confident89.2Confident92 Ų9258.7 Ų58.749%0.49231%0.305SS..  trans-93.29.5-177-163.123.4000114.8F702F702-N704 HydrophobicContact CD1-CB 4.35Å; F702-N704 HydrophobicContact CE1-CB 3.62Å; F702-N704 HydrophobicContact CZ-CB 3.83Å
705T89.3Confident89Confident73 Ų7357.3 Ų57.345%0.44830%0.297SS..SBendtrans-87.7153.4178.252.40000111.4R513 N707 S708R513-T705 PolarHBondContact NH1-O 2.97Å; R513-T705 VanDerWaalsContact NH1-O 3.17Å; T705-N707 VanDerWaalsContact C-N 3.26Å; T705-N707 WeakPolarHBondContact CB-OD1 3.1Å; T705-N707 PolarHBondContact O-N 2.84Å; T705-N707 PolarHBondContact OG1-OD1 2.91Å; T705-S708 PolarHBondContact O-N 2.85Å; T705-S708 PolarHBondContact O-OG 3.13Å
706S85.7Confident88.5Confident61 Ų6163.1 Ų63.143%0.42732%0.321SS..G310 helixtrans-61.3-35.7176.656.20000112.4S708 A709S706-S708 PolarHBondContact O-N 3.08Å; S706-A709 PolarHBondContact O-N 2.76Å
707N91.3Very high88Confident78 Ų7866 Ų6642%0.41732%0.324SS..G310 helixtrans-74.3-0.4179.471-4.9000114.6W687 T705 C710W687-N707 WeakPolarHBondContact CZ2-O 3.43Å; T705-N707 VanDerWaalsContact C-N 3.26Å; T705-N707 WeakPolarHBondContact CB-OD1 3.1Å; T705-N707 PolarHBondContact O-N 2.84Å; T705-N707 PolarHBondContact OG1-OD1 2.91Å; N707-C710 PolarHBondContact O-SG 3.45Å
708S94.6Very high88.2Confident0 Ų059 Ų590%031%0.307CS..G310 helixtrans-89-7.7171.576.70000113R513 P522 F523 A703 T705 S706R513-S708 VanDerWaalsContact CZ-OG 3.3Å; R513-S708 PolarHBondContact NH1-OG 3.43Å; R513-S708 PolarHBondContact NH2-OG 2.83Å; P522-S708 CarbonylContact C-O 3.56Å; P522-S708 WeakPolarHBondContact CA-O 3.45Å; F523-S708 PolarHBondContact N-O 2.84Å; A703-S708 PolarHBondContact O-OG 3.04Å; T705-S708 PolarHBondContact O-N 2.85Å; T705-S708 PolarHBondContact O-OG 3.13Å; S706-S708 PolarHBondContact O-N 3.08Å
709A96.9Very high89Confident0 Ų050.8 Ų50.80%027%0.27CS..EExtended strand (participates in β ladder)trans-124.4103.1177.300000109.5L510 F523 S706 A723 I724L510-A709 HydrophobicContact CD1-CB 3.95Å; L510-A709 HydrophobicContact CD2-CB 4.49Å; F523-A709 HydrophobicContact CD1-CB 4.18Å; F523-A709 HydrophobicContact CD2-CB 4.29Å; F523-A709 HydrophobicContact CE1-CB 3.61Å; F523-A709 HydrophobicContact CE2-CB 3.73Å; F523-A709 HydrophobicContact CG-CB 4.49Å; F523-A709 HydrophobicContact CZ-CB 3.35Å; F523-A709 WeakPolarHBondContact O-CA 3.34Å; S706-A709 PolarHBondContact O-N 2.76Å; A709-A723 WeakPolarHBondContact O-CA 3.48Å; A709-I724 HydrophobicContact CB-CG2 3.92Å; A709-I724 WeakPolarHBondContact O-CG2 3.31Å; A709-I724 PolarHBondContact O-N 3.17Å
710C97.6Very high89.9Confident5 Ų549.7 Ų49.73%0.03425%0.248CC..EExtended strand (participates in β ladder)trans-125.7151.4-169.6-71.80000113.7F523 V524 V525 W687 N707 F721 Q722F523-C710 PolarHBondContact O-N 3.44Å; F523-C710 VanDerWaalsContact O-N 3.1Å; V524-C710 CarbonylContact C-O 3.5Å; V524-C710 VanDerWaalsContact CA-O 3.27Å; V524-C710 WeakPolarHBondContact CA-O 3.21Å; V525-C710 PolarHBondContact N-O 2.8Å; W687-C710 HydrophobicContact CH2-CB 3.93Å; W687-C710 HydrophobicContact CZ2-CB 4.05Å; W687-C710 VanDerWaalsContact CZ2-SG 3.59Å; N707-C710 PolarHBondContact O-SG 3.45Å; C710-F721 HydrophobicContact CB-CB 4.08Å; C710-F721 HydrophobicContact CB-CD1 4.12Å; C710-Q722 CarbonylContact C-O 3.54Å; C710-Q722 WeakPolarHBondContact CA-O 3.17Å; C710-Q722 WeakPolarHBondContact CB-O 3.29Å
711V98.1Very high90.5Very high0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-89.9125157.7179.10000108.1Y503 V525 P527 G713 F721 Q722 I724 L727Y503-V711 HydrophobicContact CD2-CG2 3.91Å; Y503-V711 HydrophobicContact CE2-CG2 4.33Å; V525-V711 HydrophobicContact CB-CG2 4.19Å; V525-V711 WeakPolarHBondContact O-CA 3.09Å; P527-V711 HydrophobicContact CG-CG1 3.65Å; V711-G713 PolarHBondContact O-N 3.21Å; V711-F721 WeakPolarHBondContact O-CA 3.45Å; V711-Q722 PolarHBondContact N-O 3.45Å; V711-Q722 PolarHBondContact O-N 3.01Å; V711-I724 HydrophobicContact CG2-CB 4.5Å; V711-I724 HydrophobicContact CG2-CD1 4.41Å; V711-I724 HydrophobicContact CG2-CG1 4.02Å; V711-L727 HydrophobicContact CB-CD1 3.71Å; V711-L727 HydrophobicContact CG1-CD1 4.41Å; V711-L727 HydrophobicContact CG2-CD1 3.51Å
712L97.8Very high90.8Very high0 Ų045.9 Ų45.90%024%0.235CC..EExtended strand (participates in β ladder)trans-87.599.9168.5175.355.9000108.1V524 V525 P527 M680 K683 L719 F721V524-L712 HydrophobicContact CG2-CB 3.68Å; V525-L712 PolarHBondContact O-N 3.24Å; P527-L712 WeakPolarHBondContact CD-O 3.16Å; M680-L712 HydrophobicContact CB-CD2 4.48Å; M680-L712 HydrophobicContact CE-CG 4.34Å; M680-L712 WeakPolarHBondContact CE-O 3.5Å; M680-L712 WeakPolarHBondContact O-CD2 3.4Å; M680-L712 HydrophobicContact SD-CD2 4.15Å; M680-L712 HydrophobicContact SD-CG 3.85Å; K683-L712 HydrophobicContact CB-CD2 4.21Å; K683-L712 HydrophobicContact CD-CD1 4.32Å; K683-L712 HydrophobicContact CG-CD2 4.39Å; L712-L719 HydrophobicContact CD1-CB 4.17Å; L712-F721 HydrophobicContact CB-CD1 4.06Å; L712-F721 HydrophobicContact CB-CE1 3.86Å; L712-F721 HydrophobicContact CD1-CD1 4.1Å; L712-F721 HydrophobicContact CD1-CD2 4.2Å; L712-F721 HydrophobicContact CD1-CE1 3.8Å; L712-F721 HydrophobicContact CD1-CE2 3.9Å; L712-F721 HydrophobicContact CD1-CG 4.29Å; L712-F721 HydrophobicContact CD1-CZ 3.67Å; L712-F721 HydrophobicContact CD2-CE1 4.01Å; L712-F721 HydrophobicContact CD2-CZ 3.99Å; L712-F721 HydrophobicContact CG-CE1 4.09Å; L712-F721 HydrophobicContact CG-CZ 4.27Å
713G93.9Very high91Very high0 Ų042.6 Ų42.60%022%0.222CC..EExtended strand (participates in β ladder)trans-117.4162.2-178.900000112.8S537 V711 L719 T720S537-G713 WeakPolarHBondContact OG-CA 3.42Å; V711-G713 PolarHBondContact O-N 3.21Å; G713-L719 CarbonylContact O-C 3.55Å; G713-L719 WeakPolarHBondContact O-CA 3.25Å; G713-T720 PolarHBondContact N-O 3.19Å; G713-T720 PolarHBondContact O-N 3.36Å; G713-T720 PolarHBondContact O-OG1 3.48Å
714M90.6Very high91.2Very high34 Ų3442.6 Ų42.617%0.16722%0.222CC..EExtended strand (participates in β ladder)trans-93.7124.6168.3-178.1168170.300109.4S537 D538 F539 F676 K716 G718 L719S537-M714 PolarHBondContact OG-N 3.39Å; D538-M714 WeakPolarHBondContact CB-O 3.43Å; D538-M714 PolarHBondContact N-O 3.22Å; F539-M714 HydrophobicContact CD2-SD 4Å; F539-M714 HydrophobicContact CE2-CE 4.49Å; F676-M714 HydrophobicContact CE2-CB 4.03Å; F676-M714 HydrophobicContact CE2-SD 3.9Å; F676-M714 HydrophobicContact CZ-CB 3.95Å; M714-K716 WeakPolarHBondContact CE-O 3.28Å; M714-G718 WeakPolarHBondContact CA-O 3.49Å; M714-L719 HydrophobicContact CB-CD2 3.92Å; M714-L719 HydrophobicContact CG-CD2 4.35Å
715K86Confident91.6Very high87 Ų8739.6 Ų39.638%0.37821%0.21SC..EExtended strand (participates in β ladder)trans-123.5122.5169.5-82.2-170.3166.9178.90109.8D538 R717 G718D538-K715 WeakPolarHBondContact OD2-CA 3.35Å; K715-R717 PolarHBondContact O-N 3.45Å; K715-G718 PolarHBondContact N-O 2.85Å; K715-G718 PolarHBondContact O-N 3.31Å
716K80.6Confident91.8Very high134 Ų13441.2 Ų41.258%0.58322%0.216SC*.THydrogen-bonded Turntrans53.8-94.9-175.6-59.2-178.4177.6-176.40112.2G342 D538 M714G342-K716 VanDerWaalsContact CA-O 3.27Å; G342-K716 WeakPolarHBondContact CA-O 3.49Å; D538-K716 PolarHBondContact OD2-N 2.99Å; M714-K716 WeakPolarHBondContact CE-O 3.28Å
717R75.8Confident92.3Very high121 Ų12138.6 Ų38.646%0.45720%0.197SC..THydrogen-bonded Turntrans-110.8-12.6-177.2-75.9-179.9153.2168.6-7.3113.7D175 S341 G342 K715D175-R717 IonicContact OD1-NE 2.62Å; D175-R717 IonicContact OD1-NH2 2.76Å; D175-R717 IonicContact OD2-CZ 3.32Å; D175-R717 IonicContact OD2-NE 2.86Å; D175-R717 PolarHBondContact OD2-NE 3.04Å; D175-R717 IonicContact OD2-NH2 3.95Å; D175-R717 PolarHBondContact OD2-NH2 2.85Å; D175-R717 VanDerWaalsContact OD2-NH2 3.13Å; S341-R717 VanDerWaalsContact CB-CZ 3.4Å; S341-R717 PolarHBondContact OG-NE 3.26Å; S341-R717 PolarHBondContact OG-NH1 3.27Å; S341-R717 VanDerWaalsContact OG-NH1 3.09Å; S341-R717 PolarHBondContact OG-NH2 3.18Å; S341-R717 VanDerWaalsContact OG-NH2 3.1Å; G342-R717 VanDerWaalsContact N-CG 3.32Å; K715-R717 PolarHBondContact O-N 3.45Å
718G82.6Confident92.4Very high30 Ų3038.1 Ų38.131%0.30919%0.191SC..EExtended strand (participates in β ladder)trans-114.3143.4-167.600000113.1M714 K715M714-G718 WeakPolarHBondContact CA-O 3.49Å; K715-G718 PolarHBondContact N-O 2.85Å; K715-G718 PolarHBondContact O-N 3.31Å
719L90.4Very high92.3Very high31 Ų3144.5 Ų44.516%0.16223%0.225CC..EExtended strand (participates in β ladder)trans-83115.8161.8-62.6-177.6000108.3F676 K679 M680 K683 L712 G713 M714F676-L719 HydrophobicContact CE2-CD2 3.84Å; F676-L719 HydrophobicContact CZ-CD2 4.47Å; K679-L719 HydrophobicContact CB-CD1 4.4Å; M680-L719 HydrophobicContact SD-CD1 4.23Å; M680-L719 HydrophobicContact SD-CD2 3.63Å; M680-L719 HydrophobicContact SD-CG 4.48Å; K683-L719 HydrophobicContact CD-CB 3.76Å; K683-L719 HydrophobicContact CD-CD1 3.84Å; K683-L719 HydrophobicContact CD-CG 4.46Å; K683-L719 PolarHBondContact NZ-O 3.35Å; L712-L719 HydrophobicContact CD1-CB 4.17Å; G713-L719 CarbonylContact O-C 3.55Å; G713-L719 WeakPolarHBondContact O-CA 3.25Å; M714-L719 HydrophobicContact CB-CD2 3.92Å; M714-L719 HydrophobicContact CG-CD2 4.35Å
720T93.2Very high92Very high51 Ų5146 Ų4631%0.31323%0.234SC..EExtended strand (participates in β ladder)trans-121.5139.2-173.1530000111G713G713-T720 PolarHBondContact N-O 3.19Å; G713-T720 PolarHBondContact O-N 3.36Å; G713-T720 PolarHBondContact O-OG1 3.48Å
721F96.1Very high92Very high51 Ų5146 Ų4622%0.22423%0.233CC..EExtended strand (participates in β ladder)trans-90.3124.8168.8-64.8-89.4000108.5V524 K683 W687 C710 V711 L712V524-F721 HydrophobicContact CG2-CD1 4.2Å; V524-F721 HydrophobicContact CG2-CE1 3.91Å; K683-F721 HydrophobicContact CD-CE2 4.36Å; K683-F721 HydrophobicContact CG-CE2 4.07Å; K683-F721 HydrophobicContact CG-CZ 3.99Å; W687-F721 HydrophobicContact CB-CD1 4.45Å; W687-F721 HydrophobicContact CB-CD2 4.45Å; W687-F721 HydrophobicContact CB-CE1 3.62Å; W687-F721 HydrophobicContact CB-CE2 3.62Å; W687-F721 HydrophobicContact CB-CZ 3.14Å; W687-F721 AromaticContact CD1-CD2 3.58Å; W687-F721 AromaticContact CD1-CE2 3.58Å; W687-F721 AromaticContact CD1-CG 3.82Å; W687-F721 AromaticContact CD1-CZ 3.83Å; W687-F721 AromaticContact CD2-CD1 3.67Å; W687-F721 HydrophobicContact CD2-CD1 3.67Å; W687-F721 AromaticContact CD2-CE1 3.56Å; W687-F721 HydrophobicContact CD2-CE1 3.56Å; W687-F721 HydrophobicContact CD2-CE2 4.49Å; W687-F721 HydrophobicContact CD2-CG 4.2Å; W687-F721 HydrophobicContact CD2-CZ 4.02Å; W687-F721 AromaticContact CE2-CD1 3.84Å; W687-F721 HydrophobicContact CE3-CD1 4.13Å; W687-F721 AromaticContact CE3-CE1 3.89Å; W687-F721 HydrophobicContact CE3-CE1 3.89Å; W687-F721 AromaticContact CG-CD1 3.81Å; W687-F721 HydrophobicContact CG-CD1 3.81Å; W687-F721 AromaticContact CG-CD2 3.96Å; W687-F721 HydrophobicContact CG-CD2 3.96Å; W687-F721 AromaticContact CG-CE1 3.44Å; W687-F721 HydrophobicContact CG-CE1 3.44Å; W687-F721 VanDerWaalsContact CG-CE1 3.44Å; W687-F721 AromaticContact CG-CE2 3.61Å; W687-F721 HydrophobicContact CG-CE2 3.61Å; W687-F721 HydrophobicContact CG-CG 4.06Å; W687-F721 AromaticContact CG-CZ 3.35Å; W687-F721 HydrophobicContact CG-CZ 3.35Å; W687-F721 HydrophobicContact CZ2-CD1 4.43Å; W687-F721 AromaticContact NE1-CD2 3.96Å; W687-F721 AromaticContact NE1-CG 3.77Å; C710-F721 HydrophobicContact CB-CB 4.08Å; C710-F721 HydrophobicContact CB-CD1 4.12Å; V711-F721 WeakPolarHBondContact O-CA 3.45Å; L712-F721 HydrophobicContact CB-CD1 4.06Å; L712-F721 HydrophobicContact CB-CE1 3.86Å; L712-F721 HydrophobicContact CD1-CD1 4.1Å; L712-F721 HydrophobicContact CD1-CD2 4.2Å; L712-F721 HydrophobicContact CD1-CE1 3.8Å; L712-F721 HydrophobicContact CD1-CE2 3.9Å; L712-F721 HydrophobicContact CD1-CG 4.29Å; L712-F721 HydrophobicContact CD1-CZ 3.67Å; L712-F721 HydrophobicContact CD2-CE1 4.01Å; L712-F721 HydrophobicContact CD2-CZ 3.99Å; L712-F721 HydrophobicContact CG-CE1 4.09Å; L712-F721 HydrophobicContact CG-CZ 4.27Å
722Q95.8Very high91.9Very high37 Ų3748 Ų4817%0.17324%0.244CC..EExtended strand (participates in β ladder)trans-122135176-72160.410500108.3G536 C710 V711 I724 L727G536-Q722 PolarHBondContact O-NE2 3.24Å; C710-Q722 CarbonylContact C-O 3.54Å; C710-Q722 WeakPolarHBondContact CA-O 3.17Å; C710-Q722 WeakPolarHBondContact CB-O 3.29Å; V711-Q722 PolarHBondContact N-O 3.45Å; V711-Q722 PolarHBondContact O-N 3.01Å; Q722-I724 PolarHBondContact O-N 2.92Å; Q722-L727 HydrophobicContact CB-CD1 4.32Å; Q722-L727 HydrophobicContact CB-CD2 4.34Å; Q722-L727 HydrophobicContact CB-CG 4.38Å
723A96.6Very high91.9Very high9 Ų952.4 Ų52.47%0.07426%0.263CS..EExtended strand (participates in β ladder)trans-59.9134.1177.300000109.2A709 A725 D726A709-A723 WeakPolarHBondContact O-CA 3.48Å; A723-A725 PolarHBondContact O-N 3.14Å; A723-D726 PolarHBondContact O-N 3.41Å; A723-D726 VanDerWaalsContact O-N 3.13Å
724I95.3Very high92Very high0 Ų060 Ų600%030%0.299CS..THydrogen-bonded Turntrans-63.8-29.7-174.2-161170.8000111.7Y503 L507 L510 V525 A709 V711 Q722 L727Y503-I724 HydrophobicContact CD2-CD1 3.89Å; Y503-I724 HydrophobicContact CD2-CG1 3.57Å; Y503-I724 HydrophobicContact CE2-CD1 4.21Å; Y503-I724 HydrophobicContact CE2-CG1 3.41Å; Y503-I724 VanDerWaalsContact CE2-CG1 3.41Å; Y503-I724 VanDerWaalsContact O-CD1 3.31Å; Y503-I724 WeakPolarHBondContact O-CD1 3.49Å; Y503-I724 PolarHBondContact OH-O 3.46Å; L507-I724 HydrophobicContact CD2-CB 4.28Å; L507-I724 HydrophobicContact CD2-CD1 4.38Å; L507-I724 HydrophobicContact CD2-CG1 3.79Å; L507-I724 HydrophobicContact CD2-CG2 3.98Å; L507-I724 WeakPolarHBondContact CD2-O 3.28Å; L507-I724 HydrophobicContact CG-CD1 4.31Å; L507-I724 HydrophobicContact CG-CG1 4.1Å; L510-I724 HydrophobicContact CB-CG2 4.44Å; L510-I724 HydrophobicContact CD2-CG2 3.55Å; V525-I724 HydrophobicContact CG2-CD1 3.92Å; A709-I724 HydrophobicContact CB-CG2 3.92Å; A709-I724 WeakPolarHBondContact O-CG2 3.31Å; A709-I724 PolarHBondContact O-N 3.17Å; V711-I724 HydrophobicContact CG2-CB 4.5Å; V711-I724 HydrophobicContact CG2-CD1 4.41Å; V711-I724 HydrophobicContact CG2-CG1 4.02Å; Q722-I724 PolarHBondContact O-N 2.92Å; I724-L727 PolarHBondContact O-N 2.93Å
725A94.5Very high92.2Very high29 Ų2959.6 Ų59.624%0.2430%0.296CS..THydrogen-bonded Turntrans-63.4-42.1174.900000112.7L510 A723 L727 K728L510-A725 HydrophobicContact CD2-CB 3.92Å; A723-A725 PolarHBondContact O-N 3.14Å; A725-L727 PolarHBondContact O-N 3.4Å; A725-K728 WeakPolarHBondContact O-CB 3.5Å; A725-K728 VanDerWaalsContact O-CG 3.26Å; A725-K728 WeakPolarHBondContact O-CG 3.45Å; A725-K728 PolarHBondContact O-N 3.24Å
726D94.9Very high92.8Very high107 Ų10759.2 Ų59.257%0.57229%0.293SS*.G310 helixtrans-66.9-25.4-177.4-57-8.4000111.8A723 K728A723-D726 PolarHBondContact O-N 3.41Å; A723-D726 VanDerWaalsContact O-N 3.13Å; D726-K728 VanDerWaalsContact C-N 3.25Å; D726-K728 PolarHBondContact O-N 2.77Å
727L95.1Very high93.5Very high7 Ų753.4 Ų53.44%0.03727%0.268CS..G310 helixtrans-76.3-10.9179.5-65174.7000113.3Y503 P535 V711 Q722 I724 A725 D729 D730 T731Y503-L727 HydrophobicContact CE2-CB 3.89Å; Y503-L727 HydrophobicContact CE2-CD1 4.21Å; Y503-L727 VanDerWaalsContact OH-C 3.26Å; Y503-L727 PolarHBondContact OH-O 2.99Å; P535-L727 HydrophobicContact CB-CB 4.24Å; V711-L727 HydrophobicContact CB-CD1 3.71Å; V711-L727 HydrophobicContact CG1-CD1 4.41Å; V711-L727 HydrophobicContact CG2-CD1 3.51Å; Q722-L727 HydrophobicContact CB-CD1 4.32Å; Q722-L727 HydrophobicContact CB-CD2 4.34Å; Q722-L727 HydrophobicContact CB-CG 4.38Å; I724-L727 PolarHBondContact O-N 2.93Å; A725-L727 PolarHBondContact O-N 3.4Å; L727-D729 PolarHBondContact O-N 2.96Å; L727-D730 PolarHBondContact O-N 3.42Å; L727-T731 PolarHBondContact O-N 3.25Å; L727-T731 PolarHBondContact O-OG1 3.49Å
728K94.4Very high94.4Very high67 Ų6748 Ų4829%0.29125%0.249SC..G310 helixtrans-58.6-38.7178.8-70.3-178.1177.9-173.30111.7Y503 L507 Q511 A725 D726 D730 T731 F733Y503-K728 PolarHBondContact OH-N 2.98Å; L507-K728 HydrophobicContact CD1-CG 4.07Å; L507-K728 HydrophobicContact CD2-CD 4.34Å; L507-K728 HydrophobicContact CD2-CG 4.07Å; Q511-K728 VanDerWaalsContact NE2-NZ 3.17Å; A725-K728 WeakPolarHBondContact O-CB 3.5Å; A725-K728 VanDerWaalsContact O-CG 3.26Å; A725-K728 WeakPolarHBondContact O-CG 3.45Å; A725-K728 PolarHBondContact O-N 3.24Å; D726-K728 VanDerWaalsContact C-N 3.25Å; D726-K728 PolarHBondContact O-N 2.77Å; K728-D730 VanDerWaalsContact C-N 3.28Å; K728-D730 PolarHBondContact O-N 3.2Å; K728-T731 WeakPolarHBondContact O-CB 3.43Å; K728-T731 PolarHBondContact O-N 3.31Å; K728-T731 VanDerWaalsContact O-N 3.09Å; K728-F733 HydrophobicContact CB-CE2 4.46Å; K728-F733 HydrophobicContact CB-CZ 4.39Å; K728-F733 HydrophobicContact CG-CZ 4.17Å
729D92.2Very high94.8Very high134 Ų13452.8 Ų52.872%0.71726%0.261SS*.THydrogen-bonded Turntrans-68-29.2-177.4-66.1-22.5000112.6L727 T731 K739L727-D729 PolarHBondContact O-N 2.96Å; D729-T731 VanDerWaalsContact C-N 3.34Å; D729-K739 WeakPolarHBondContact O-CD 3.24Å; D729-K739 WeakPolarHBondContact O-CE 3.06Å; D729-K739 PolarHBondContact O-NZ 2.86Å
730D91.7Very high94.6Very high33 Ų3356 Ų5618%0.17628%0.282CS..THydrogen-bonded Turntrans-92.110.5175.5-173.140.5000112.5L727 K728 P738 K739 T740L727-D730 PolarHBondContact O-N 3.42Å; K728-D730 VanDerWaalsContact C-N 3.28Å; K728-D730 PolarHBondContact O-N 3.2Å; D730-P738 CarbonylContact O-C 3.56Å; D730-P738 WeakPolarHBondContact O-CA 3.45Å; D730-K739 PolarHBondContact O-N 3.25Å; D730-T740 PolarHBondContact OD1-N 3.03Å; D730-T740 VanDerWaalsContact OD1-N 3.13Å; D730-T740 PolarHBondContact OD1-OG1 3.5Å; D730-T740 PolarHBondContact OD2-OG1 3.44Å
731T96.8Very high94.4Very high4 Ų454.8 Ų54.83%0.02527%0.272CS..EExtended strand (participates in β ladder)trans-109.6130.5-176.9-57.60000112.3F500 Y503 P535 L727 K728 D729 F733 K739F500-T731 HydrophobicContact CE2-CG2 3.73Å; F500-T731 HydrophobicContact CZ-CG2 3.58Å; Y503-T731 HydrophobicContact CE1-CG2 4Å; Y503-T731 PolarHBondContact OH-OG1 3.22Å; P535-T731 HydrophobicContact CG-CG2 3.98Å; P535-T731 WeakPolarHBondContact CG-OG1 3.39Å; L727-T731 PolarHBondContact O-N 3.25Å; L727-T731 PolarHBondContact O-OG1 3.49Å; K728-T731 WeakPolarHBondContact O-CB 3.43Å; K728-T731 PolarHBondContact O-N 3.31Å; K728-T731 VanDerWaalsContact O-N 3.09Å; D729-T731 VanDerWaalsContact C-N 3.34Å; T731-F733 HydrophobicContact CG2-CD1 3.97Å; T731-F733 HydrophobicContact CG2-CD2 3.94Å; T731-F733 HydrophobicContact CG2-CE1 3.85Å; T731-F733 HydrophobicContact CG2-CE2 3.82Å; T731-F733 HydrophobicContact CG2-CG 4.01Å; T731-F733 HydrophobicContact CG2-CZ 3.77Å; T731-K739 VanDerWaalsContact O-CE 3.27Å; T731-K739 WeakPolarHBondContact O-CE 3.37Å
732D96.6Very high94.1Very high41 Ų4154.6 Ų54.622%0.21927%0.27CS..EExtended strand (participates in β ladder)trans-92.3105.2159.1-177.5-22.3000108.5E734 H735 R736 I737D732-E734 PolarHBondContact OD1-N 3.43Å; D732-H735 IonicContact OD1-CG 3.34Å; D732-H735 PolarHBondContact OD1-N 2.9Å; D732-H735 IonicContact OD1-ND1 2.82Å; D732-H735 PolarHBondContact OD1-ND1 2.7Å; D732-H735 IonicContact OD2-CE1 2.72Å; D732-H735 IonicContact OD2-CG 3.4Å; D732-H735 IonicContact OD2-ND1 2.86Å; D732-H735 PolarHBondContact OD2-ND1 3.33Å; D732-R736 WeakPolarHBondContact O-CA 3.39Å; D732-R736 PolarHBondContact O-N 3.44Å; D732-I737 HydrophobicContact CB-CG1 3.96Å; D732-I737 PolarHBondContact N-O 2.96Å; D732-I737 PolarHBondContact O-N 3.31Å; D732-I737 VanDerWaalsContact O-N 3.14Å
733F96.5Very high93.9Very high94 Ų9453 Ų5341%0.41226%0.263SS..THydrogen-bonded Turntrans-75.5-28.9-178.3-71.7-82.6000113.3F500 Y503 V504 L507 K728 T731F500-F733 HydrophobicContact CE1-CD1 4.41Å; F500-F733 HydrophobicContact CZ-CD1 4.16Å; Y503-F733 HydrophobicContact CE1-CE1 4.02Å; Y503-F733 HydrophobicContact CE1-CZ 4.25Å; V504-F733 HydrophobicContact CG2-CD1 4.44Å; V504-F733 HydrophobicContact CG2-CE1 4.43Å; L507-F733 HydrophobicContact CD1-CE1 3.74Å; L507-F733 HydrophobicContact CD1-CZ 3.83Å; K728-F733 HydrophobicContact CB-CE2 4.46Å; K728-F733 HydrophobicContact CB-CZ 4.39Å; K728-F733 HydrophobicContact CG-CZ 4.17Å; T731-F733 HydrophobicContact CG2-CD1 3.97Å; T731-F733 HydrophobicContact CG2-CD2 3.94Å; T731-F733 HydrophobicContact CG2-CE1 3.85Å; T731-F733 HydrophobicContact CG2-CE2 3.82Å; T731-F733 HydrophobicContact CG2-CG 4.01Å; T731-F733 HydrophobicContact CG2-CZ 3.77Å
734E96.1Very high93.6Very high159 Ų15955.1 Ų55.174%0.74327%0.272SS*.THydrogen-bonded Turntrans-69.1-48.7-179.3-177.3-178.5-175.400109.9D732D732-E734 PolarHBondContact OD1-N 3.43Å
735H96Very high93.2Very high26 Ų2661.4 Ų61.412%0.1230%0.3CS..THydrogen-bonded Turntrans-93.6-7.3-178.3-55.993.3000113Y577 Y597 D732 I737Y577-H735 AromaticContact CD1-CD2 3.9Å; Y577-H735 HydrophobicContact CD2-CB 3.96Å; Y577-H735 VanDerWaalsContact CD2-O 3.31Å; Y577-H735 WeakPolarHBondContact CD2-O 3.3Å; Y577-H735 AromaticContact CE1-CD2 3.86Å; Y577-H735 HydrophobicContact CG-CB 3.93Å; Y577-H735 AromaticContact CZ-CD2 3.97Å; Y597-H735 HydrophobicContact CE1-CB 4.31Å; Y597-H735 AromaticContact CE1-CD2 3.96Å; Y597-H735 AromaticContact CE1-CG 3.94Å; Y597-H735 AromaticContact CE2-CD2 3.85Å; Y597-H735 AromaticContact CZ-CD2 3.37Å; Y597-H735 AromaticContact CZ-CG 3.78Å; Y597-H735 AromaticContact CZ-NE2 3.5Å; Y597-H735 PolarHBondContact OH-CD2 3.18Å; Y597-H735 PolarHBondContact OH-CE1 3.34Å; Y597-H735 PolarHBondContact OH-NE2 2.73Å; D732-H735 IonicContact OD1-CG 3.34Å; D732-H735 PolarHBondContact OD1-N 2.9Å; D732-H735 IonicContact OD1-ND1 2.82Å; D732-H735 PolarHBondContact OD1-ND1 2.7Å; D732-H735 IonicContact OD2-CE1 2.72Å; D732-H735 IonicContact OD2-CG 3.4Å; D732-H735 IonicContact OD2-ND1 2.86Å; D732-H735 PolarHBondContact OD2-ND1 3.33Å; H735-I737 HydrophobicContact CB-CD1 4.27Å; H735-I737 HydrophobicContact CB-CG1 4.03Å
736R96.9Very high92.8Very high79 Ų7960.5 Ų60.530%0.29829%0.291SS..THydrogen-bonded Turntrans59.848.5176.3-54.517043.6165.2-2.7112.9F500 E501 N533 D732F500-R736 HydrophobicContact CB-CB 4.49Å; F500-R736 HydrophobicContact CD1-CB 3.64Å; F500-R736 HydrophobicContact CD1-CG 3.71Å; F500-R736 HydrophobicContact CD2-CB 4.05Å; F500-R736 HydrophobicContact CE1-CB 3.73Å; F500-R736 HydrophobicContact CE1-CG 3.67Å; F500-R736 HydrophobicContact CE2-CB 4.15Å; F500-R736 HydrophobicContact CG-CB 3.8Å; F500-R736 HydrophobicContact CG-CG 4.38Å; F500-R736 HydrophobicContact CZ-CB 4Å; F500-R736 HydrophobicContact CZ-CG 4.32Å; E501-R736 IonicContact OE1-CZ 3.93Å; E501-R736 IonicContact OE1-NH1 3.26Å; E501-R736 PolarHBondContact OE1-NH1 2.97Å; E501-R736 IonicContact OE1-NH2 3.54Å; E501-R736 PolarHBondContact OE1-NH2 2.78Å; E501-R736 IonicContact OE2-CZ 2.68Å; E501-R736 IonicContact OE2-NH2 2.84Å; E501-R736 PolarHBondContact OE2-NH2 3.32Å; N533-R736 PolarHBondContact ND2-O 3.28Å; D732-R736 WeakPolarHBondContact O-CA 3.39Å; D732-R736 PolarHBondContact O-N 3.44Å
737I95.9Very high92.5Very high11 Ų1156.2 Ų56.26%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-136.7156.6-179.155.6170.6000111N533 C578 Y597 E598 D732 H735N533-I737 HydrophobicContact CB-CG2 4.27Å; C578-I737 HydrophobicContact CB-CG2 3.83Å; Y597-I737 HydrophobicContact CD1-CD1 4.11Å; Y597-I737 HydrophobicContact CE1-CD1 4.22Å; E598-I737 HydrophobicContact CG-CD1 4.49Å; D732-I737 HydrophobicContact CB-CG1 3.96Å; D732-I737 PolarHBondContact N-O 2.96Å; D732-I737 PolarHBondContact O-N 3.31Å; D732-I737 VanDerWaalsContact O-N 3.14Å; H735-I737 HydrophobicContact CB-CD1 4.27Å; H735-I737 HydrophobicContact CB-CG1 4.03Å
738P94.6Very high92.2Very high9 Ų957.8 Ų57.86%0.05828%0.278CS..EExtended strand (participates in β ladder)trans-70.2145.7166.8-1228.8000110.4P535 D730 T740 Q741P535-P738 HydrophobicContact CG-CG 4.44Å; D730-P738 CarbonylContact O-C 3.56Å; D730-P738 WeakPolarHBondContact O-CA 3.45Å; P738-T740 VanDerWaalsContact C-N 3.32Å; P738-Q741 HydrophobicContact CB-CG 4.24Å; P738-Q741 HydrophobicContact CG-CG 4.41Å
739K91Very high92Very high130 Ų13055.9 Ų55.957%0.56527%0.27SS*.SBendtrans-71.6-30.3175.5-66.1179.1-173.7165.60111.8D729 D730 T731D729-K739 WeakPolarHBondContact O-CD 3.24Å; D729-K739 WeakPolarHBondContact O-CE 3.06Å; D729-K739 PolarHBondContact O-NZ 2.86Å; D730-K739 PolarHBondContact O-N 3.25Å; T731-K739 VanDerWaalsContact O-CE 3.27Å; T731-K739 WeakPolarHBondContact O-CE 3.37Å
740T86.9Confident91.9Very high99 Ų9949.9 Ų49.961%0.60724%0.238SC*.  trans-113.5127178.860.20000111.9D730 P738D730-T740 PolarHBondContact OD1-N 3.03Å; D730-T740 VanDerWaalsContact OD1-N 3.13Å; D730-T740 PolarHBondContact OD1-OG1 3.5Å; D730-T740 PolarHBondContact OD2-OG1 3.44Å; P738-T740 VanDerWaalsContact C-N 3.32Å
741Q89Confident91.8Very high24 Ų2451.7 Ų51.711%0.11224%0.244CC..  trans-140.8122.3-176.5-65.2-178.1-69.800111.5C578 E598 P738 W743 L744C578-Q741 PolarHBondContact SG-NE2 2.81Å; E598-Q741 PolarHBondContact OE1-OE1 3.03Å; P738-Q741 HydrophobicContact CB-CG 4.24Å; P738-Q741 HydrophobicContact CG-CG 4.41Å; Q741-W743 VanDerWaalsContact C-N 3.28Å; Q741-W743 HydrophobicContact CB-CZ2 4.41Å; Q741-W743 PolarHBondContact O-N 2.92Å; Q741-L744 HydrophobicContact CB-CD1 4.06Å; Q741-L744 HydrophobicContact CB-CG 4.24Å; Q741-L744 PolarHBondContact O-N 3.25Å
742W89.1Confident91.5Very high48 Ų4851.7 Ų51.718%0.18224%0.244CC..G310 helixtrans-63.3-31.4-173.165.7-95.8000113.8N343 D538 F539 Y580 M584 L744 I746N343-W742 WeakPolarHBondContact ND2-CH2 3.4Å; N343-W742 WeakPolarHBondContact ND2-CZ2 3.32Å; N343-W742 WeakPolarHBondContact ND2-CZ3 3.18Å; N343-W742 WeakPolarHBondContact OD1-CZ3 3.48Å; D538-W742 PolarHBondContact O-NE1 3Å; F539-W742 HydrophobicContact CD1-CZ2 4.47Å; F539-W742 HydrophobicContact CE1-CH2 4.23Å; F539-W742 AromaticContact CE1-CZ2 3.59Å; F539-W742 HydrophobicContact CE1-CZ2 3.59Å; F539-W742 HydrophobicContact CZ-CH2 4.1Å; F539-W742 AromaticContact CZ-CZ2 3.62Å; F539-W742 HydrophobicContact CZ-CZ2 3.62Å; Y580-W742 HydrophobicContact CE2-CH2 4.41Å; Y580-W742 AromaticContact CE2-CZ2 3.77Å; Y580-W742 HydrophobicContact CE2-CZ2 3.77Å; M584-W742 HydrophobicContact CE-CH2 3.79Å; M584-W742 HydrophobicContact CE-CZ3 4.42Å; M584-W742 HydrophobicContact SD-CH2 4.35Å; W742-L744 VanDerWaalsContact C-N 3.33Å; W742-L744 PolarHBondContact O-N 3.47Å; W742-I746 HydrophobicContact CE3-CD1 3.91Å; W742-I746 HydrophobicContact CH2-CD1 4.39Å; W742-I746 HydrophobicContact CZ3-CD1 3.38Å
743W91Very high91.3Very high2 Ų250 Ų501%0.00824%0.235CC..G310 helixtrans-78.7-16.3-171.656.5-96.2000113Y580 T583 M584 I596 E598 Q741 K745 I746Y580-W743 HydrophobicContact CD2-CB 4.19Å; Y580-W743 AromaticContact CD2-CD1 3.42Å; Y580-W743 VanDerWaalsContact CD2-CD1 3.42Å; Y580-W743 HydrophobicContact CD2-CD2 4.04Å; Y580-W743 AromaticContact CD2-CG 3.62Å; Y580-W743 HydrophobicContact CD2-CG 3.62Å; Y580-W743 AromaticContact CD2-NE1 3.68Å; Y580-W743 HydrophobicContact CE2-CB 4.43Å; Y580-W743 HydrophobicContact CE2-CG 4.28Å; T583-W743 HydrophobicContact CG2-CE3 3.96Å; T583-W743 HydrophobicContact CG2-CZ3 4.23Å; T583-W743 VanDerWaalsContact OG1-CZ3 3.31Å; T583-W743 WeakPolarHBondContact OG1-CZ3 3.33Å; M584-W743 HydrophobicContact SD-CB 4.06Å; I596-W743 HydrophobicContact CD1-CH2 3.93Å; I596-W743 HydrophobicContact CD1-CZ3 3.76Å; E598-W743 HydrophobicContact CG-CH2 4.43Å; E598-W743 WeakPolarHBondContact OE1-CH2 3.15Å; E598-W743 VanDerWaalsContact OE1-CZ2 3.29Å; E598-W743 WeakPolarHBondContact OE1-CZ2 3.2Å; Q741-W743 VanDerWaalsContact C-N 3.28Å; Q741-W743 HydrophobicContact CB-CZ2 4.41Å; Q741-W743 PolarHBondContact O-N 2.92Å; W743-K745 PolarHBondContact O-N 3.34Å; W743-I746 WeakPolarHBondContact O-CB 3.4Å; W743-I746 PolarHBondContact O-N 3.33Å
744L91Very high91Very high54 Ų5445.8 Ų45.828%0.28322%0.218SC..G310 helixtrans-60.6-34.4174.4-71.2171.4000111.6I596 E598 Q741 W742 I746 R747I596-L744 HydrophobicContact CD1-CD2 3.84Å; E598-L744 HydrophobicContact CB-CD1 4.29Å; E598-L744 HydrophobicContact CB-CD2 3.71Å; E598-L744 HydrophobicContact CG-CD2 4.28Å; Q741-L744 HydrophobicContact CB-CD1 4.06Å; Q741-L744 HydrophobicContact CB-CG 4.24Å; Q741-L744 PolarHBondContact O-N 3.25Å; W742-L744 VanDerWaalsContact C-N 3.33Å; W742-L744 PolarHBondContact O-N 3.47Å; L744-I746 PolarHBondContact O-N 3.16Å; L744-I746 VanDerWaalsContact O-N 3.1Å; L744-R747 WeakPolarHBondContact O-CB 3.36Å; L744-R747 WeakPolarHBondContact O-CG 3.32Å; L744-R747 PolarHBondContact O-N 3.43Å; L744-R747 VanDerWaalsContact O-N 3.12Å
745K86.6Confident90.7Very high133 Ų13343.4 Ų43.458%0.57821%0.205SC*.G310 helixtrans-62.6-16176-63.4-171.2172.7-168.50113.7W743 P748 E764W743-K745 PolarHBondContact O-N 3.34Å; K745-P748 WeakPolarHBondContact O-CD 3.49Å; K745-E764 IonicContact NZ-OE1 2.68Å; K745-E764 PolarHBondContact NZ-OE1 2.99Å; K745-E764 IonicContact NZ-OE2 2.9Å
746I86Confident90Very high9 Ų943.5 Ų43.55%0.04620%0.204CC..G310 helixtrans-88.9-15.3-179.2-60.3175.3000111.6L587 W742 W743 L744 I749 M750L587-I746 HydrophobicContact CD2-CG2 3.54Å; W742-I746 HydrophobicContact CE3-CD1 3.91Å; W742-I746 HydrophobicContact CH2-CD1 4.39Å; W742-I746 HydrophobicContact CZ3-CD1 3.38Å; W743-I746 WeakPolarHBondContact O-CB 3.4Å; W743-I746 PolarHBondContact O-N 3.33Å; L744-I746 PolarHBondContact O-N 3.16Å; L744-I746 VanDerWaalsContact O-N 3.1Å; I746-I749 HydrophobicContact CG2-CD1 4.48Å; I746-I749 VanDerWaalsContact O-CB 3.31Å; I746-I749 WeakPolarHBondContact O-CB 3.47Å; I746-I749 PolarHBondContact O-N 2.88Å; I746-M750 PolarHBondContact O-N 3.38Å
747R89.4Confident88.8Confident17 Ų1747 Ų476%0.06423%0.229CC..Hα-helixtrans-58.1-39.2-177.3-68.3-176.162.978.3-1114.5T583 A594 I596 D599 L744 I749 M750 K751T583-R747 HydrophobicContact CG2-CG 3.63Å; T583-R747 PolarHBondContact OG1-NH1 3.25Å; A594-R747 PolarHBondContact O-NH1 2.93Å; A594-R747 PolarHBondContact O-NH2 3.46Å; I596-R747 VanDerWaalsContact CD1-CZ 3.46Å; I596-R747 VanDerWaalsContact CD1-NH1 3.33Å; D599-R747 IonicContact OD2-CZ 2.76Å; D599-R747 IonicContact OD2-NE 3.07Å; D599-R747 PolarHBondContact OD2-NE 3.01Å; D599-R747 IonicContact OD2-NH2 3.31Å; D599-R747 PolarHBondContact OD2-NH2 3.34Å; L744-R747 WeakPolarHBondContact O-CB 3.36Å; L744-R747 WeakPolarHBondContact O-CG 3.32Å; L744-R747 PolarHBondContact O-N 3.43Å; L744-R747 VanDerWaalsContact O-N 3.12Å; R747-I749 VanDerWaalsContact C-N 3.28Å; R747-I749 PolarHBondContact O-N 3.4Å; R747-M750 WeakPolarHBondContact O-CB 3.46Å; R747-M750 PolarHBondContact O-N 3.05Å; R747-K751 PolarHBondContact O-N 3.29Å
748P88.8Confident87.8Confident41 Ų4148.6 Ų48.627%0.26624%0.237SC..Hα-helixtrans-58-40.2173.6-2636.1000112.6K745 M750 K751 I752 I758K745-P748 WeakPolarHBondContact O-CD 3.49Å; P748-M750 VanDerWaalsContact C-N 3.29Å; P748-M750 PolarHBondContact O-N 3.35Å; P748-K751 PolarHBondContact O-N 3.02Å; P748-I752 WeakPolarHBondContact O-CG1 3.38Å; P748-I752 PolarHBondContact O-N 3.08Å; P748-I758 HydrophobicContact CB-CD1 4.09Å; P748-I758 WeakPolarHBondContact O-CD1 3.34Å
749I89Confident86.4Confident27 Ų2756.1 Ų56.114%0.13827%0.269CS..Hα-helixtrans-59.2-42.7177.6-61175000110.7V320 I746 R747 K751 I752 L753V320-I749 HydrophobicContact CG1-CD1 4.49Å; V320-I749 HydrophobicContact CG1-CG1 4.48Å; V320-I749 HydrophobicContact CG2-CG2 3.57Å; I746-I749 HydrophobicContact CG2-CD1 4.48Å; I746-I749 VanDerWaalsContact O-CB 3.31Å; I746-I749 WeakPolarHBondContact O-CB 3.47Å; I746-I749 PolarHBondContact O-N 2.88Å; R747-I749 VanDerWaalsContact C-N 3.28Å; R747-I749 PolarHBondContact O-N 3.4Å; I749-K751 PolarHBondContact O-N 3.13Å; I749-I752 PolarHBondContact O-N 3.44Å; I749-L753 HydrophobicContact CG2-CD1 3.76Å; I749-L753 HydrophobicContact CG2-CG 4.19Å; I749-L753 WeakPolarHBondContact O-CB 3.34Å; I749-L753 VanDerWaalsContact O-CG 3.24Å; I749-L753 WeakPolarHBondContact O-CG 3.5Å; I749-L753 PolarHBondContact O-N 2.92Å
750M90.7Very high85Confident7 Ų751 Ų513%0.03425%0.248CC..Hα-helixtrans-60.5-46.3177.6-175.7-170.867.200111.9L587 A594 I746 R747 P748 L753 A754L587-M750 HydrophobicContact CD1-CB 4.44Å; A594-M750 HydrophobicContact CB-CE 3.75Å; A594-M750 HydrophobicContact CB-SD 3.84Å; I746-M750 PolarHBondContact O-N 3.38Å; R747-M750 WeakPolarHBondContact O-CB 3.46Å; R747-M750 PolarHBondContact O-N 3.05Å; P748-M750 VanDerWaalsContact C-N 3.29Å; P748-M750 PolarHBondContact O-N 3.35Å; M750-L753 PolarHBondContact O-N 3.47Å; M750-A754 WeakPolarHBondContact O-CB 3.39Å; M750-A754 PolarHBondContact O-N 2.93Å
751K89.8Confident83.6Confident72 Ų7251.8 Ų51.831%0.31325%0.248SC..Hα-helixtrans-64.4-42.8178-77.4-176.7-178.8177.10111.9D599 R747 P748 I749 A754 K755 Y756 I758D599-K751 IonicContact OD2-NZ 3.06Å; R747-K751 PolarHBondContact O-N 3.29Å; P748-K751 PolarHBondContact O-N 3.02Å; I749-K751 PolarHBondContact O-N 3.13Å; K751-A754 CarbonylContact O-C 3.45Å; K751-A754 WeakPolarHBondContact O-CA 3.27Å; K751-A754 PolarHBondContact O-N 3.01Å; K751-A754 VanDerWaalsContact O-N 3.07Å; K751-K755 PolarHBondContact O-N 3.37Å; K751-Y756 HydrophobicContact CB-CD2 4.43Å; K751-Y756 WeakPolarHBondContact O-CD2 3.33Å; K751-Y756 PolarHBondContact O-N 3.32Å; K751-Y756 VanDerWaalsContact O-N 3.09Å; K751-I758 HydrophobicContact CB-CD1 3.4Å; K751-I758 HydrophobicContact CB-CG1 4.04Å; K751-I758 HydrophobicContact CD-CD1 4.03Å; K751-I758 HydrophobicContact CD-CG2 4.38Å; K751-I758 HydrophobicContact CG-CD1 4.32Å
752I90.4Very high81.9Confident4 Ų452.9 Ų52.92%0.02126%0.257CS..Hα-helixtrans-60.4-51175.2-71.1164.5000110.1V42 Y45 W72 P748 I749 A754 K755 I758 L760V42-I752 HydrophobicContact CG2-CG2 4.46Å; Y45-I752 HydrophobicContact CD1-CG2 3.96Å; Y45-I752 HydrophobicContact CD2-CG2 3.95Å; Y45-I752 HydrophobicContact CE1-CD1 4.26Å; Y45-I752 HydrophobicContact CE1-CG2 4.34Å; Y45-I752 HydrophobicContact CE2-CG1 4.12Å; Y45-I752 HydrophobicContact CE2-CG2 4.31Å; Y45-I752 HydrophobicContact CG-CG2 3.75Å; W72-I752 VanDerWaalsContact CH2-O 3.26Å; W72-I752 WeakPolarHBondContact CH2-O 3.33Å; P748-I752 WeakPolarHBondContact O-CG1 3.38Å; P748-I752 PolarHBondContact O-N 3.08Å; I749-I752 PolarHBondContact O-N 3.44Å; I752-A754 PolarHBondContact O-N 3.45Å; I752-K755 PolarHBondContact O-N 3.28Å; I752-I758 HydrophobicContact CG1-CD1 4.02Å; I752-I758 HydrophobicContact CG1-CG1 3.82Å; I752-L760 HydrophobicContact CD1-CB 3.68Å; I752-L760 HydrophobicContact CD1-CD1 3.22Å; I752-L760 HydrophobicContact CD1-CG 4.02Å
753L91.8Very high79.5Confident4 Ų455 Ų552%0.02128%0.279CS..Hα-helixtrans-63.5-14.5177.8-67.8176.1000112.9R37 A38 R41 V42 W72 L587 I749 M750R37-L753 PolarHBondContact NH2-O 2.99Å; A38-L753 HydrophobicContact CB-CD2 4.2Å; R41-L753 HydrophobicContact CB-CD2 3.74Å; R41-L753 VanDerWaalsContact CD-O 3.29Å; R41-L753 WeakPolarHBondContact CD-O 3.41Å; R41-L753 PolarHBondContact NH1-O 3.4Å; V42-L753 HydrophobicContact CG2-CD2 3.97Å; W72-L753 VanDerWaalsContact CZ2-O 3.31Å; W72-L753 WeakPolarHBondContact CZ2-O 3.44Å; L587-L753 HydrophobicContact CD1-CD1 3.8Å; I749-L753 HydrophobicContact CG2-CD1 3.76Å; I749-L753 HydrophobicContact CG2-CG 4.19Å; I749-L753 WeakPolarHBondContact O-CB 3.34Å; I749-L753 VanDerWaalsContact O-CG 3.24Å; I749-L753 WeakPolarHBondContact O-CG 3.5Å; I749-L753 PolarHBondContact O-N 2.92Å; M750-L753 PolarHBondContact O-N 3.47Å
754A90.5Very high77.3Confident7 Ų761 Ų616%0.05831%0.307CS..THydrogen-bonded Turntrans-95.41.1172.800000114H612 M750 K751 I752 Y756H612-A754 PolarHBondContact CE1-O 2.98Å; H612-A754 VanDerWaalsContact CE1-O 3.27Å; H612-A754 PolarHBondContact NE2-O 2.94Å; H612-A754 VanDerWaalsContact NE2-O 3.09Å; M750-A754 WeakPolarHBondContact O-CB 3.39Å; M750-A754 PolarHBondContact O-N 2.93Å; K751-A754 CarbonylContact O-C 3.45Å; K751-A754 WeakPolarHBondContact O-CA 3.27Å; K751-A754 PolarHBondContact O-N 3.01Å; K751-A754 VanDerWaalsContact O-N 3.07Å; I752-A754 PolarHBondContact O-N 3.45Å; A754-Y756 HydrophobicContact CB-CD2 3.77Å; A754-Y756 HydrophobicContact CB-CE2 3.73Å
755K89.3Confident75.3Confident108 Ų10864.2 Ų64.247%0.4732%0.32SS..THydrogen-bonded Turntrans7430179.7-149.5-177.5-179.2173.40114.1W72 H612 K751 I752W72-K755 HydrophobicContact CD2-CB 4.37Å; W72-K755 HydrophobicContact CD2-CD 3.96Å; W72-K755 HydrophobicContact CD2-CG 4.12Å; W72-K755 HydrophobicContact CE3-CG 4.37Å; W72-K755 HydrophobicContact CG-CD 4.07Å; W72-K755 HydrophobicContact CH2-CB 3.91Å; W72-K755 HydrophobicContact CH2-CG 4.18Å; W72-K755 HydrophobicContact CZ2-CB 3.37Å; W72-K755 HydrophobicContact CZ2-CD 4.45Å; W72-K755 HydrophobicContact CZ2-CG 3.93Å; W72-K755 HydrophobicContact CZ3-CG 4.37Å; H612-K755 PolarHBondContact CE1-O 3.04Å; K751-K755 PolarHBondContact O-N 3.37Å; I752-K755 PolarHBondContact O-N 3.28Å
756Y83Confident74Confident28 Ų2859.7 Ų59.711%0.1130%0.303CS..  trans-79.3142.2166.9-70.7-94.8000110.1D592 N609 H612 K751 A754 I758D592-Y756 WeakPolarHBondContact O-CE2 3.42Å; D592-Y756 PolarHBondContact O-OH 2.84Å; N609-Y756 WeakPolarHBondContact OD1-CE1 3.33Å; N609-Y756 PolarHBondContact OD1-OH 2.97Å; H612-Y756 HydrophobicContact CB-CE1 3.92Å; H612-Y756 AromaticContact CD2-CE2 3.83Å; H612-Y756 AromaticContact CD2-CZ 3.58Å; H612-Y756 AromaticContact CG-CE1 3.78Å; H612-Y756 AromaticContact CG-CZ 3.72Å; H612-Y756 AromaticContact NE2-CE2 3.85Å; K751-Y756 HydrophobicContact CB-CD2 4.43Å; K751-Y756 WeakPolarHBondContact O-CD2 3.33Å; K751-Y756 PolarHBondContact O-N 3.32Å; K751-Y756 VanDerWaalsContact O-N 3.09Å; A754-Y756 HydrophobicContact CB-CD2 3.77Å; A754-Y756 HydrophobicContact CB-CE2 3.73Å; Y756-I758 VanDerWaalsContact C-N 3.33Å; Y756-I758 PolarHBondContact O-N 3.33Å
757D70.9Confident72.6Confident152 Ų15265 Ų6581%0.81333%0.332SS*.  trans-80.584.6173.6-169.415.6000109.3
758I74.6Confident71.5Confident45 Ų4566.9 Ų66.923%0.23134%0.342CS..  trans-127.9153174.361154.6000109.1Y45 P748 K751 I752 Y756Y45-I758 WeakPolarHBondContact CE2-O 3.3Å; Y45-I758 PolarHBondContact OH-O 3.45Å; P748-I758 HydrophobicContact CB-CD1 4.09Å; P748-I758 WeakPolarHBondContact O-CD1 3.34Å; K751-I758 HydrophobicContact CB-CD1 3.4Å; K751-I758 HydrophobicContact CB-CG1 4.04Å; K751-I758 HydrophobicContact CD-CD1 4.03Å; K751-I758 HydrophobicContact CD-CG2 4.38Å; K751-I758 HydrophobicContact CG-CD1 4.32Å; I752-I758 HydrophobicContact CG1-CD1 4.02Å; I752-I758 HydrophobicContact CG1-CG1 3.82Å; Y756-I758 VanDerWaalsContact C-N 3.33Å; Y756-I758 PolarHBondContact O-N 3.33Å
759K64.7Low70.7Confident168 Ų16867.9 Ų67.973%0.7334%0.343SS*.  trans-78.5129.9173.3-66.1-174.8178.5-176.80109.7D761K759-D761 PolarHBondContact O-N 3.44Å
760L63.3Low69.7Low22 Ų2271.5 Ų71.512%0.11536%0.36CS..  trans-66.3128.5165.6-171.576.4000108P11 Y45 M324 I752 T762P11-L760 HydrophobicContact CB-CB 4.09Å; P11-L760 HydrophobicContact CG-CB 4.43Å; Y45-L760 HydrophobicContact CE1-CB 4.42Å; Y45-L760 PolarHBondContact OH-N 2.94Å; M324-L760 HydrophobicContact CE-CD2 3.28Å; M324-L760 HydrophobicContact CG-CD2 4.36Å; M324-L760 HydrophobicContact SD-CD2 3.8Å; I752-L760 HydrophobicContact CD1-CB 3.68Å; I752-L760 HydrophobicContact CD1-CD1 3.22Å; I752-L760 HydrophobicContact CD1-CG 4.02Å; L760-T762 HydrophobicContact CD2-CG2 4.07Å; L760-T762 HydrophobicContact CG-CG2 4.39Å; L760-T762 PolarHBondContact O-N 3.48Å
761D57.5Low68.2Low115 Ų11572.1 Ų72.162%0.61536%0.363SS*.  trans-73.7107.7169.8-174.31.6000108.6K759 S763K759-D761 PolarHBondContact O-N 3.44Å; D761-S763 VanDerWaalsContact CG-OG 3.3Å; D761-S763 WeakPolarHBondContact OD1-CB 3.36Å; D761-S763 PolarHBondContact OD1-N 3.32Å; D761-S763 PolarHBondContact OD1-OG 2.72Å; D761-S763 PolarHBondContact OD2-OG 3.19Å
762T53.2Low66.5Low48 Ų4874.2 Ų74.229%0.29438%0.377SS..  trans-99.914.1177.159.40000112.1P11 L760 E764P11-T762 HydrophobicContact CB-CG2 4.41Å; P11-T762 HydrophobicContact CG-CG2 3.96Å; L760-T762 HydrophobicContact CD2-CG2 4.07Å; L760-T762 HydrophobicContact CG-CG2 4.39Å; L760-T762 PolarHBondContact O-N 3.48Å; T762-E764 VanDerWaalsContact C-N 3.32Å; T762-E764 PolarHBondContact O-N 2.94Å
763S38.6Very low64.2Low92 Ų9277.4 Ų77.464%0.64340%0.4SS*.  trans-68-27-17561.10000114.1D761 H765D761-S763 VanDerWaalsContact CG-OG 3.3Å; D761-S763 WeakPolarHBondContact OD1-CB 3.36Å; D761-S763 PolarHBondContact OD1-N 3.32Å; D761-S763 PolarHBondContact OD1-OG 2.72Å; D761-S763 PolarHBondContact OD2-OG 3.19Å; S763-H765 PolarHBondContact O-N 2.92Å
764E45Very low62.2Low127 Ų12781.4 Ų81.459%0.59342%0.418SS*.SBendtrans-90.494.1168.6-77.2-177.2-178.600109.3K745 T762 V766K745-E764 IonicContact NZ-OE1 2.68Å; K745-E764 PolarHBondContact NZ-OE1 2.99Å; K745-E764 IonicContact NZ-OE2 2.9Å; T762-E764 VanDerWaalsContact C-N 3.32Å; T762-E764 PolarHBondContact O-N 2.94Å; E764-V766 PolarHBondContact O-N 3.31Å
765H48.9Very low60.2Low122 Ų12285.4 Ų85.457%0.56543%0.431SS*.  trans-65120.4166.2-92.3-60.1000109.5S763 D767S763-H765 PolarHBondContact O-N 2.92Å; H765-D767 PolarHBondContact O-N 3.32Å
766V57.6Low57.3Low38 Ų3883 Ų8323%0.2344%0.437CS..  trans-8389.5168.6-176.70000107.5R347 E764R347-V766 WeakPolarHBondContact CD-O 3.22Å; R347-V766 HydrophobicContact CG-CG1 4.1Å; E764-V766 PolarHBondContact O-N 3.31Å
767D57.6Low54.7Low121 Ų12188.6 Ų88.665%0.64747%0.469SS*.PPolyproline II helixtrans-62.6151.1173.9-71.4-31.6000111H765 E769H765-D767 PolarHBondContact O-N 3.32Å; D767-E769 PolarHBondContact O-N 2.86Å
768M66.2Low52.8Low56 Ų5688 Ų8828%0.27646%0.461SS..BIsolated β-bridgetrans-68.7122.3175-167.4176.3-57.100109.7T333 P334 C336 P349T333-M768 HydrophobicContact CG2-CE 3.86Å; P334-M768 HydrophobicContact CG-CE 3.88Å; P334-M768 HydrophobicContact CG-SD 3.56Å; P334-M768 VanDerWaalsContact CG-SD 3.56Å; C336-M768 HydrophobicContact CB-CE 3.78Å; C336-M768 HydrophobicContact CB-SD 4.45Å; P349-M768 HydrophobicContact CB-SD 4.39Å; P349-M768 HydrophobicContact CG-CG 4.06Å; P349-M768 HydrophobicContact CG-SD 3.78Å
769E71.1Confident50.7Low63 Ų6394.3 Ų94.329%0.29448%0.482SS..PPolyproline II helixtrans-100128.4-179.3-61.7-176.7138.600110.8R347 L348 P349 D767 K774R347-E769 PolarHBondContact O-N 2.93Å; L348-E769 HydrophobicContact CD2-CB 3.94Å; L348-E769 WeakPolarHBondContact CD2-O 3.36Å; P349-E769 WeakPolarHBondContact CD-O 2.78Å; D767-E769 PolarHBondContact O-N 2.86Å; E769-K774 IonicContact OE1-NZ 2.98Å; E769-K774 PolarHBondContact OE1-NZ 3.2Å; E769-K774 IonicContact OE2-NZ 3.76Å; E769-K774 PolarHBondContact OE2-NZ 2.86Å
770H69.3Low48.8Very low103 Ų10399.6 Ų99.648%0.47751%0.505SS..PPolyproline II helixtrans-75.8129173.5-70.8-77.8000111.5E352 L772 S773E352-H770 IonicContact OE1-CE1 3.86Å; E352-H770 IonicContact OE1-CG 2.74Å; E352-H770 IonicContact OE1-ND1 3.11Å; E352-H770 PolarHBondContact OE1-ND1 2.68Å; E352-H770 IonicContact OE2-ND1 3.92Å; H770-L772 VanDerWaalsContact C-N 3.27Å; H770-L772 PolarHBondContact O-N 2.75Å; H770-S773 PolarHBondContact O-N 3.02Å; H770-S773 PolarHBondContact O-OG 3.04Å
771V59.7Low48.1Very low19 Ų19103.5 Ų103.512%0.11552%0.524CS..THydrogen-bonded Turntrans-65.1-34.6-177.4-178.30000111L348 E352 V356L348-V771 HydrophobicContact CB-CG2 4.31Å; L348-V771 HydrophobicContact CD1-CG2 4.22Å; L348-V771 HydrophobicContact CD2-CG2 4.29Å; E352-V771 HydrophobicContact CB-CB 4.26Å; E352-V771 HydrophobicContact CB-CG2 4.08Å; E352-V771 WeakPolarHBondContact OE2-CB 3.33Å; E352-V771 PolarHBondContact OE2-N 3.48Å; V356-V771 HydrophobicContact CG2-CG1 4.32Å
772L52.7Low47.6Very low116 Ų116102.8 Ų102.861%0.60752%0.519SS*.THydrogen-bonded Turntrans-72.5-32.2-179-63.7172.1000112.8H770 K774 R775H770-L772 VanDerWaalsContact C-N 3.27Å; H770-L772 PolarHBondContact O-N 2.75Å; L772-K774 PolarHBondContact O-N 3.35Å; L772-R775 PolarHBondContact O-N 2.72Å
773S43.3Very low47.3Very low72 Ų72105.9 Ų105.950%0.50353%0.532SS..Hα-helixtrans-66.9-38.8-177.674.90000113H770 R775 G776H770-S773 PolarHBondContact O-N 3.02Å; H770-S773 PolarHBondContact O-OG 3.04Å; S773-R775 PolarHBondContact O-N 3.49Å; S773-G776 PolarHBondContact O-N 3.25Å
774K49.5Very low47.8Very low88 Ų88106.7 Ų106.738%0.38353%0.525SS..Hα-helixtrans-67.1-18176-81-176.4175.8170.90113.2E769 L772E769-K774 IonicContact OE1-NZ 2.98Å; E769-K774 PolarHBondContact OE1-NZ 3.2Å; E769-K774 IonicContact OE2-NZ 3.76Å; E769-K774 PolarHBondContact OE2-NZ 2.86Å; L772-K774 PolarHBondContact O-N 3.35Å
775R47.4Very low48Very low90 Ų90105.4 Ų105.434%0.3452%0.521SS..Hα-helixtrans-90.3-12.1177.9-67.7-178.3175.6-172.9-4.1113.1L375 L772 S773 W779L375-R775 VanDerWaalsContact CD2-NH1 3.34Å; L375-R775 PolarHBondContact O-NH2 2.89Å; L772-R775 PolarHBondContact O-N 2.72Å; S773-R775 PolarHBondContact O-N 3.49Å; R775-W779 PolarHBondContact O-NE1 3.03Å
776G29.4Very low47.9Very low57 Ų57104.3 Ų104.359%0.58852%0.518SS*.Hα-helixtrans-86.4-33.3179.800000115.3S773S773-G776 PolarHBondContact O-N 3.25Å
777N27.7Very low47.2Very low146 Ų146109.1 Ų109.178%0.78154%0.539SS*.SBendtrans-101.25-164.5-77.8-9.9000116.4
778H31Very low46.4Very low139 Ų139108.2 Ų108.264%0.64453%0.53SS*.SBendtrans-130.621.3-174.8-71.5-37.6000115
779W31.2Very low44.8Very low179 Ų179112.5 Ų112.568%0.67855%0.552SS**  trans-121.532.6175.2-53.497.9000112.8R775R775-W779 PolarHBondContact O-NE1 3.03Å
780K25.1Very low42.4Very low278 Ų278117 Ų117100%1.20958%0.575SS**  trans-105.90155.5-84-169.9175.4-1780108.9

Retrieved 780 of 780 residues in 166.2 ms (Link to these results)

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