A0A077Z2P4_TRITR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A077Z2P4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 371 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
1M35.2Very low33.2Very low242 Ų242138.7 Ų138.7100%1.19283%0.829SS**  0105.80-86.7172.2170.500107.8
2N36.3Very low33.1Very low154 Ų154147.8 Ų147.882%0.82484%0.837SS**  trans55.198.9160.1-60.4-0.2000120.6
3D32.5Very low33.4Very low151 Ų151149.2 Ų149.281%0.80784%0.84SS**  trans-43.7142.9147.2-61.2-60.2000114.1
4W31.5Very low34Very low254 Ų254149.2 Ų149.296%0.96284%0.836SS**  trans-133.690.5151.6-96.173.5000109
5A40Very low35Very low91 Ų91145.6 Ų145.675%0.75282%0.824SS**  trans-70.8134.6169.200000110.4
6G33.7Very low36.4Very low64 Ų64146.4 Ų146.466%0.6683%0.826SS**  trans-63.9154.6175.700000112.8S8G6-S8 PolarHBondContact O-N 2.96Å; G6-S8 VanDerWaalsContact O-N 3.12Å
7P35.4Very low38Very low138 Ų138139.3 Ų139.390%0.89679%0.788SS**  trans-71.3112.8-17429.1-32.9000110.8S9P7-S9 PolarHBondContact O-N 2.69Å
8S29.6Very low40.2Very low105 Ų105134.8 Ų134.873%0.73476%0.764SS**  trans-64.7122.6163.752.40000110.9G6 S10G6-S8 PolarHBondContact O-N 2.96Å; G6-S8 VanDerWaalsContact O-N 3.12Å; S8-S10 PolarHBondContact O-N 2.79Å
9S30Very low42.5Very low116 Ų116136.7 Ų136.781%0.81176%0.758SS**  trans23.685.1153.662.30000117.3P7 S11P7-S9 PolarHBondContact O-N 2.69Å; S9-S11 PolarHBondContact O-N 2.74Å
10S30.4Very low44.4Very low105 Ų105130 Ų13073%0.73472%0.721SS**  trans-69.1113.5168.960.50000111.7S8 R12S8-S10 PolarHBondContact O-N 2.79Å; S10-R12 PolarHBondContact O-N 3.48Å
11S30.1Very low46.2Very low106 Ų106125.4 Ų125.474%0.74170%0.695SS**  trans21.695135.747.50000117.1S9 L13S9-S11 PolarHBondContact O-N 2.74Å; S11-L13 PolarHBondContact O-N 3.09Å
12R33Very low48.5Very low247 Ų247114.2 Ų114.293%0.93264%0.641SS**  trans-65.3108.6157-71.4-175.7-155.3166.67.6108.2S10 L14S10-R12 PolarHBondContact O-N 3.48Å; R12-L14 PolarHBondContact O-N 2.84Å
13L36.6Very low50.8Low167 Ų167107.3 Ų107.387%0.87461%0.606SS**  trans-32115.1170.9-68.6152.4000112.1S11 S15S11-L13 PolarHBondContact O-N 3.09Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.11Å
14L42Very low53.4Low149 Ų149101.1 Ų101.178%0.7857%0.573SS**  trans-63.586165.2-81.8133.8000108.6R12 N16 K86R12-L14 PolarHBondContact O-N 2.84Å; L14-N16 PolarHBondContact O-N 3.2Å; L14-K86 WeakPolarHBondContact CD2-O 3.46Å
15S49.1Very low56Low95 Ų9592 Ų9266%0.66454%0.543SS*.  trans-65.8119.4163.467.10000107.3L13 S17L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.11Å; S15-S17 PolarHBondContact O-N 2.96Å
16N56.7Low58Low158 Ų15890.4 Ų90.485%0.84552%0.522SS*.  trans-51.5101.3171.3-88.4-21.6000109.2L14L14-N16 PolarHBondContact O-N 3.2Å
17S64.1Low60.3Low26 Ų2689.9 Ų89.918%0.18250%0.504CS..PPolyproline II helixtrans-71.2142.6176.6-172.40000108.1S15 R19 L21 G85S15-S17 PolarHBondContact O-N 2.96Å; S17-R19 PolarHBondContact O-N 2.88Å; S17-L21 PolarHBondContact OG-O 3.49Å; S17-G85 PolarHBondContact N-O 3.31Å; S17-G85 WeakPolarHBondContact O-CA 3.09Å
18T77.7Confident62.2Low59 Ų5985.7 Ų85.736%0.36249%0.486SS..PPolyproline II helixtrans-65.5132.3175-56.40000108.4G20 L21T18-G20 PolarHBondContact O-N 2.86Å; T18-L21 HydrophobicContact CG2-CD1 4.09Å; T18-L21 HydrophobicContact CG2-CG 4.08Å; T18-L21 VanDerWaalsContact O-CB 3.3Å; T18-L21 WeakPolarHBondContact O-CB 2.85Å; T18-L21 PolarHBondContact O-N 2.91Å
19R84.3Confident64.2Low170 Ų17086 Ų8664%0.64248%0.479SS*.THydrogen-bonded Turntrans-53.6133.3-179.9-61.2-175.1176.9165.1-0.3110.6S17 L21 W83S17-R19 PolarHBondContact O-N 2.88Å; R19-L21 VanDerWaalsContact C-N 3.27Å; R19-L21 PolarHBondContact O-N 2.89Å; R19-W83 HydrophobicContact CB-CE3 3.91Å; R19-W83 WeakPolarHBondContact CD-O 3.49Å; R19-W83 VanDerWaalsContact CG-O 3.26Å; R19-W83 WeakPolarHBondContact CG-O 3.26Å
20G80.2Confident66.6Low3 Ų380.8 Ų80.83%0.03144%0.442CS..THydrogen-bonded Turntrans86.3-17-175.700000114.2T18 C22 L82T18-G20 PolarHBondContact O-N 2.86Å; G20-C22 VanDerWaalsContact C-N 3.28Å; G20-C22 PolarHBondContact O-N 2.96Å; G20-C22 VanDerWaalsContact O-N 3.16Å; G20-L82 WeakPolarHBondContact CA-O 3.22Å; G20-L82 PolarHBondContact N-O 3.39Å; G20-L82 VanDerWaalsContact N-O 3.1Å
21L81.8Confident69Low34 Ų3476.3 Ų76.318%0.17841%0.411CS..  trans-87.662172.6-51.9-167.6000110.9S17 T18 R19 R361 I362S17-L21 PolarHBondContact OG-O 3.49Å; T18-L21 HydrophobicContact CG2-CD1 4.09Å; T18-L21 HydrophobicContact CG2-CG 4.08Å; T18-L21 VanDerWaalsContact O-CB 3.3Å; T18-L21 WeakPolarHBondContact O-CB 2.85Å; T18-L21 PolarHBondContact O-N 2.91Å; R19-L21 VanDerWaalsContact C-N 3.27Å; R19-L21 PolarHBondContact O-N 2.89Å; L21-R361 HydrophobicContact CD1-CB 4.06Å; L21-I362 HydrophobicContact CD2-CB 4.33Å; L21-I362 HydrophobicContact CD2-CD1 3.54Å; L21-I362 HydrophobicContact CD2-CG1 3Å; L21-I362 HydrophobicContact CG-CG1 4.46Å
22C83.6Confident71.3Confident7 Ų772.4 Ų72.45%0.04738%0.38CS..  trans-126.9125.5178.9-1760000109.9G20 Q38 L82 A87G20-C22 VanDerWaalsContact C-N 3.28Å; G20-C22 PolarHBondContact O-N 2.96Å; G20-C22 VanDerWaalsContact O-N 3.16Å; C22-Q38 PolarHBondContact O-NE2 3.16Å; C22-L82 HydrophobicContact CB-CB 4.39Å; C22-L82 HydrophobicContact CB-CD2 3.68Å; C22-L82 WeakPolarHBondContact CB-O 3.16Å; C22-L82 WeakPolarHBondContact O-CD2 3.03Å; C22-A87 PolarHBondContact SG-O 3.44Å
23G84.6Confident73.7Confident9 Ų960.8 Ų60.89%0.09334%0.337CS..EExtended strand (participates in β ladder)trans-74.4161.5175.600000112.3A88 S89 F90G23-A88 PolarHBondContact N-O 3.42Å; G23-S89 CarbonylContact O-C 3.48Å; G23-S89 VanDerWaalsContact O-CA 3.25Å; G23-S89 WeakPolarHBondContact O-CA 3.32Å; G23-F90 PolarHBondContact O-N 3.12Å
24L87.3Confident76.1Confident20 Ų2053.5 Ų53.511%0.10530%0.299CS..EExtended strand (participates in β ladder)trans-112.7125.6169.4-70.1170.6000109N34 L37 Q38 V78 L82 F90 P92L24-N34 HydrophobicContact CB-CB 3.89Å; L24-N34 VanDerWaalsContact CB-CG 3.48Å; L24-N34 HydrophobicContact CD1-CB 4.19Å; L24-N34 PolarHBondContact O-ND2 3.12Å; L24-L37 HydrophobicContact CD1-CB 3.63Å; L24-L37 HydrophobicContact CD1-CD1 3.77Å; L24-L37 HydrophobicContact CD1-CG 4.38Å; L24-Q38 HydrophobicContact CD1-CG 4.29Å; L24-V78 HydrophobicContact CD2-CG1 4.25Å; L24-L82 HydrophobicContact CD2-CD2 3.9Å; L24-L82 HydrophobicContact CG-CD2 4.13Å; L24-F90 WeakPolarHBondContact CA-O 2.99Å; L24-F90 HydrophobicContact CD2-CB 4.23Å; L24-F90 HydrophobicContact CD2-CD1 3.87Å; L24-P92 HydrophobicContact CD2-CB 4.41Å; L24-P92 HydrophobicContact CD2-CG 4.18Å
25N85.7Confident78.1Confident64 Ų6446.6 Ų46.634%0.34226%0.263SS..  trans-68.1139.9177.2-69.459.3000109.8N34 S89 F90 V91N25-N34 PolarHBondContact O-ND2 2.95Å; N25-S89 WeakPolarHBondContact OD1-CB 3.32Å; N25-S89 PolarHBondContact OD1-OG 3.46Å; N25-S89 VanDerWaalsContact OD1-OG 3.06Å; N25-F90 PolarHBondContact N-O 3Å; N25-F90 PolarHBondContact OD1-O 3.31Å; N25-V91 HydrophobicContact CB-CG2 3.81Å
26N83Confident79.9Confident57 Ų5742.1 Ų42.131%0.30523%0.231SC..  trans-79.1129175.5-166.3-23.8000109.2G28 N29 T30N26-G28 PolarHBondContact OD1-N 2.92Å; N26-G28 VanDerWaalsContact OD1-N 3.1Å; N26-N29 PolarHBondContact OD1-N 3.02Å; N26-T30 PolarHBondContact OD1-N 2.82Å; N26-T30 PolarHBondContact OD1-OG1 3.18Å
27L81.4Confident81.4Confident53 Ų5334.6 Ų34.628%0.27719%0.191SC..  trans-101.829-179-73175.5000111.7T30 V91 K96L27-T30 HydrophobicContact CB-CG2 3.96Å; L27-T30 PolarHBondContact N-OG1 3.37Å; L27-V91 HydrophobicContact CD1-CG1 4.02Å; L27-V91 HydrophobicContact CD2-CG1 3.53Å; L27-V91 HydrophobicContact CG-CG1 4.04Å; L27-K96 HydrophobicContact CB-CD 3.69Å; L27-K96 HydrophobicContact CD1-CB 4.14Å; L27-K96 HydrophobicContact CD1-CD 3.79Å; L27-K96 HydrophobicContact CG-CD 4.4Å; L27-K96 PolarHBondContact O-NZ 3.45Å
28G74Confident82.5Confident50 Ų5034.3 Ų34.352%0.51519%0.187SC..SBendtrans84.9110.7-173.400000111.4N26 T30N26-G28 PolarHBondContact OD1-N 2.92Å; N26-G28 VanDerWaalsContact OD1-N 3.1Å; G28-T30 VanDerWaalsContact O-CG2 3.32Å; G28-T30 WeakPolarHBondContact O-CG2 3.3Å; G28-T30 PolarHBondContact O-N 3.25Å
29N73Confident83Confident111 Ų11131.6 Ų31.659%0.59417%0.17SC*.SBendtrans53.717-176.3-64.4-24.3000115.7N26 C31 F32N26-N29 PolarHBondContact OD1-N 3.02Å; N29-C31 PolarHBondContact O-N 3.46Å; N29-F32 WeakPolarHBondContact O-CD1 3.46Å; N29-F32 WeakPolarHBondContact O-CE1 3.46Å
30T80Confident83.3Confident7 Ų723.5 Ų23.54%0.04314%0.14CC..  trans-94.818.5-177.870.50000113.9N26 L27 G28 F32 M33 N34 K96N26-T30 PolarHBondContact OD1-N 2.82Å; N26-T30 PolarHBondContact OD1-OG1 3.18Å; L27-T30 HydrophobicContact CB-CG2 3.96Å; L27-T30 PolarHBondContact N-OG1 3.37Å; G28-T30 VanDerWaalsContact O-CG2 3.32Å; G28-T30 WeakPolarHBondContact O-CG2 3.3Å; G28-T30 PolarHBondContact O-N 3.25Å; T30-F32 VanDerWaalsContact C-N 3.28Å; T30-F32 PolarHBondContact O-N 3.37Å; T30-M33 HydrophobicContact CG2-CE 4.38Å; T30-M33 WeakPolarHBondContact O-CB 3.46Å; T30-M33 PolarHBondContact O-N 3.2Å; T30-N34 PolarHBondContact O-N 3.28Å; T30-N34 PolarHBondContact O-OD1 2.81Å; T30-K96 HydrophobicContact CG2-CD 3.91Å; T30-K96 HydrophobicContact CG2-CG 4.38Å
31C80.9Confident83.8Confident11 Ų1123.3 Ų23.37%0.07414%0.138CC..Hα-helixtrans-63.5-34.4-179.262.30000112.5N29 M33 N34 S35 C328N29-C31 PolarHBondContact O-N 3.46Å; C31-M33 VanDerWaalsContact C-N 3.34Å; C31-N34 PolarHBondContact O-N 3.05Å; C31-S35 WeakPolarHBondContact O-CB 3.46Å; C31-S35 PolarHBondContact O-N 2.88Å; C31-S35 PolarHBondContact O-OG 3.38Å; C31-C328 HydrophobicContact CB-CB 4.49Å; C31-C328 PolarHBondContact SG-N 2.89Å
32F77.6Confident84.1Confident23 Ų2322.6 Ų22.610%0.10114%0.135CC..Hα-helixtrans-60.4-44.2173.869.8-88000111.1N29 T30 S35 A36 Q104 A106 L109 C328N29-F32 WeakPolarHBondContact O-CD1 3.46Å; N29-F32 WeakPolarHBondContact O-CE1 3.46Å; T30-F32 VanDerWaalsContact C-N 3.28Å; T30-F32 PolarHBondContact O-N 3.37Å; F32-S35 PolarHBondContact O-N 3.04Å; F32-A36 PolarHBondContact O-N 2.87Å; F32-Q104 HydrophobicContact CD1-CB 4.43Å; F32-Q104 HydrophobicContact CE1-CB 4.19Å; F32-Q104 HydrophobicContact CE1-CG 4.05Å; F32-Q104 HydrophobicContact CZ-CG 4.43Å; F32-A106 HydrophobicContact CB-CB 4.12Å; F32-L109 HydrophobicContact CD2-CB 4.04Å; F32-L109 HydrophobicContact CD2-CD2 3.48Å; F32-L109 VanDerWaalsContact CD2-CD2 3.48Å; F32-L109 HydrophobicContact CD2-CG 4.3Å; F32-L109 HydrophobicContact CE2-CB 4.23Å; F32-L109 HydrophobicContact CE2-CD1 4.43Å; F32-L109 HydrophobicContact CE2-CD2 3.68Å; F32-L109 HydrophobicContact CE2-CG 4.32Å; F32-C328 HydrophobicContact CB-CB 4.37Å
33M84.5Confident84.4Confident4 Ų422.3 Ų22.32%0.0213%0.132CC..Hα-helixtrans-63.7-48.3175.6-178.7-167.478.300112.6T30 C31 S35 A36 L37 P92 F95 K96 L99 L109T30-M33 HydrophobicContact CG2-CE 4.38Å; T30-M33 WeakPolarHBondContact O-CB 3.46Å; T30-M33 PolarHBondContact O-N 3.2Å; C31-M33 VanDerWaalsContact C-N 3.34Å; M33-S35 PolarHBondContact O-N 3.23Å; M33-A36 PolarHBondContact O-N 2.92Å; M33-L37 HydrophobicContact CG-CD1 4.01Å; M33-L37 HydrophobicContact CG-CG 4.49Å; M33-L37 WeakPolarHBondContact O-CB 3.19Å; M33-L37 WeakPolarHBondContact O-CG 3.12Å; M33-L37 PolarHBondContact O-N 2.67Å; M33-P92 HydrophobicContact CE-CB 4.43Å; M33-P92 HydrophobicContact CE-CG 3.58Å; M33-F95 HydrophobicContact CG-CD1 4.13Å; M33-F95 HydrophobicContact CG-CE1 4Å; M33-F95 HydrophobicContact SD-CD1 3.79Å; M33-F95 HydrophobicContact SD-CE1 4.24Å; M33-K96 HydrophobicContact SD-CB 4.39Å; M33-L99 HydrophobicContact CG-CD1 3.71Å; M33-L99 HydrophobicContact SD-CD1 3.66Å; M33-L109 HydrophobicContact CB-CD2 3.78Å; M33-L109 HydrophobicContact CG-CD2 4.18Å
34N86.4Confident84.5Confident14 Ų1424 Ų248%0.07514%0.142CC..Hα-helixtrans-59.7-40.3177.8-68-1.5000110.9L24 N25 T30 C31 Q38L24-N34 HydrophobicContact CB-CB 3.89Å; L24-N34 VanDerWaalsContact CB-CG 3.48Å; L24-N34 HydrophobicContact CD1-CB 4.19Å; L24-N34 PolarHBondContact O-ND2 3.12Å; N25-N34 PolarHBondContact O-ND2 2.95Å; T30-N34 PolarHBondContact O-N 3.28Å; T30-N34 PolarHBondContact O-OD1 2.81Å; C31-N34 PolarHBondContact O-N 3.05Å; N34-Q38 WeakPolarHBondContact O-CB 3.41Å; N34-Q38 WeakPolarHBondContact O-CG 3.41Å; N34-Q38 PolarHBondContact O-N 2.83Å
35S84.2Confident84.8Confident3 Ų324.6 Ų24.62%0.02115%0.147CC..Hα-helixtrans-66.9-44179.1-58.10000112.6C31 F32 M33 Q38 C39 C317 C328 K329 G330C31-S35 WeakPolarHBondContact O-CB 3.46Å; C31-S35 PolarHBondContact O-N 2.88Å; C31-S35 PolarHBondContact O-OG 3.38Å; F32-S35 PolarHBondContact O-N 3.04Å; M33-S35 PolarHBondContact O-N 3.23Å; S35-Q38 PolarHBondContact O-N 3.01Å; S35-C39 PolarHBondContact O-N 3.16Å; S35-C39 PolarHBondContact O-SG 3.33Å; S35-C317 WeakPolarHBondContact CB-SG 3.46Å; S35-C328 VanDerWaalsContact OG-CB 3.32Å; S35-C328 WeakPolarHBondContact OG-CB 3.29Å; S35-C328 PolarHBondContact OG-O 3.37Å; S35-C328 VanDerWaalsContact OG-O 3.11Å; S35-K329 VanDerWaalsContact OG-C 3.29Å; S35-K329 WeakPolarHBondContact OG-CA 3.38Å; S35-K329 PolarHBondContact OG-N 2.71Å; S35-G330 PolarHBondContact OG-N 3.33Å; S35-G330 VanDerWaalsContact OG-N 3.15Å
36A85.9Confident85.2Confident1 Ų121.6 Ų21.61%0.00813%0.131CC..Hα-helixtrans-62.4-46.3175.900000111.9F32 M33 Q38 C39 L40 L109 M110 L113F32-A36 PolarHBondContact O-N 2.87Å; M33-A36 PolarHBondContact O-N 2.92Å; A36-Q38 PolarHBondContact O-N 3.39Å; A36-C39 WeakPolarHBondContact O-CB 3.45Å; A36-C39 PolarHBondContact O-N 2.95Å; A36-C39 VanDerWaalsContact O-N 3.16Å; A36-L40 PolarHBondContact O-N 3.2Å; A36-L109 HydrophobicContact CB-CD2 3.96Å; A36-M110 HydrophobicContact CB-CE 3.8Å; A36-L113 HydrophobicContact CB-CD1 4.13Å
37L89.2Confident85.7Confident1 Ų119.1 Ų19.11%0.00512%0.118CC..Hα-helixtrans-60.6-43.7176.7-77174.1000112.5L24 M33 C39 L40 S41 Y75 V78 F95L24-L37 HydrophobicContact CD1-CB 3.63Å; L24-L37 HydrophobicContact CD1-CD1 3.77Å; L24-L37 HydrophobicContact CD1-CG 4.38Å; M33-L37 HydrophobicContact CG-CD1 4.01Å; M33-L37 HydrophobicContact CG-CG 4.49Å; M33-L37 WeakPolarHBondContact O-CB 3.19Å; M33-L37 WeakPolarHBondContact O-CG 3.12Å; M33-L37 PolarHBondContact O-N 2.67Å; L37-C39 VanDerWaalsContact C-N 3.29Å; L37-C39 PolarHBondContact O-N 2.85Å; L37-L40 PolarHBondContact O-N 2.86Å; L37-S41 WeakPolarHBondContact O-CB 3.35Å; L37-S41 PolarHBondContact O-N 2.93Å; L37-Y75 HydrophobicContact CD2-CD2 3.77Å; L37-Y75 HydrophobicContact CD2-CE2 3.74Å; L37-V78 HydrophobicContact CD1-CG1 4.33Å; L37-V78 HydrophobicContact CD2-CG1 4.43Å; L37-F95 HydrophobicContact CD1-CD1 3.82Å; L37-F95 HydrophobicContact CD1-CE1 3.73Å; L37-F95 HydrophobicContact CD1-CZ 4.49Å; L37-F95 HydrophobicContact CD2-CD1 4.33Å; L37-F95 HydrophobicContact CD2-CE1 3.61Å; L37-F95 HydrophobicContact CD2-CE2 4.21Å; L37-F95 HydrophobicContact CD2-CZ 3.54Å; L37-F95 HydrophobicContact CG-CD1 4.46Å; L37-F95 HydrophobicContact CG-CE1 3.86Å; L37-F95 HydrophobicContact CG-CZ 4.3Å
38Q87.5Confident86.3Confident20 Ų2024.3 Ų24.39%0.09314%0.138CC..Hα-helixtrans-62.8-38.9175.9-72.2-69.8-7.200111.2C22 L24 N34 S35 A36 N42C22-Q38 PolarHBondContact O-NE2 3.16Å; L24-Q38 HydrophobicContact CD1-CG 4.29Å; N34-Q38 WeakPolarHBondContact O-CB 3.41Å; N34-Q38 WeakPolarHBondContact O-CG 3.41Å; N34-Q38 PolarHBondContact O-N 2.83Å; S35-Q38 PolarHBondContact O-N 3.01Å; A36-Q38 PolarHBondContact O-N 3.39Å; Q38-N42 PolarHBondContact O-N 2.95Å; Q38-N42 PolarHBondContact O-ND2 3.11Å
39C88.3Confident87.3Confident1 Ų122.7 Ų22.71%0.00712%0.117CC..Hα-helixtrans-63.6-48.9177.1-68.90000112.3S35 A36 L37 N42 M110 S315 L344S35-C39 PolarHBondContact O-N 3.16Å; S35-C39 PolarHBondContact O-SG 3.33Å; A36-C39 WeakPolarHBondContact O-CB 3.45Å; A36-C39 PolarHBondContact O-N 2.95Å; A36-C39 VanDerWaalsContact O-N 3.16Å; L37-C39 VanDerWaalsContact C-N 3.29Å; L37-C39 PolarHBondContact O-N 2.85Å; C39-N42 PolarHBondContact O-N 3.44Å; C39-M110 HydrophobicContact CB-CE 4.19Å; C39-S315 VanDerWaalsContact CA-OG 3.29Å; C39-S315 WeakPolarHBondContact CA-OG 3.43Å; C39-S315 WeakPolarHBondContact CB-OG 3.42Å; C39-S315 PolarHBondContact O-OG 3.29Å; C39-S315 VanDerWaalsContact O-OG 3.05Å; C39-L344 HydrophobicContact CB-CD1 3.97Å; C39-L344 HydrophobicContact CB-CD2 4.25Å
40L90.7Very high88.5Confident0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-70-36.7-179.9-67.8173.4000112.8A36 L37 N42 V43 L46 Y75 M110 L113 L114 F163 L344A36-L40 PolarHBondContact O-N 3.2Å; L37-L40 PolarHBondContact O-N 2.86Å; L40-N42 PolarHBondContact O-N 2.76Å; L40-N42 VanDerWaalsContact O-N 3.13Å; L40-V43 WeakPolarHBondContact O-CB 3.34Å; L40-V43 PolarHBondContact O-N 3.15Å; L40-L46 HydrophobicContact CB-CD2 4.34Å; L40-L46 HydrophobicContact CD2-CD2 4.36Å; L40-Y75 HydrophobicContact CB-CE2 4.32Å; L40-Y75 WeakPolarHBondContact CB-OH 3.21Å; L40-Y75 HydrophobicContact CD1-CE2 4.36Å; L40-M110 HydrophobicContact CD1-SD 3.86Å; L40-M110 HydrophobicContact CD2-SD 3.78Å; L40-M110 HydrophobicContact CG-CE 4.17Å; L40-M110 HydrophobicContact CG-SD 3.78Å; L40-L113 HydrophobicContact CD1-CB 4.3Å; L40-L113 HydrophobicContact CD1-CD1 4.19Å; L40-L114 HydrophobicContact CD2-CD2 4.01Å; L40-F163 HydrophobicContact CD2-CE1 4.18Å; L40-F163 HydrophobicContact CD2-CZ 3.96Å; L40-L344 HydrophobicContact CD2-CD2 4.22Å
41S91.1Very high89.2Confident0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-59.4-24.2175.8179.10000113.1L37 T47 L82 W83L37-S41 WeakPolarHBondContact O-CB 3.35Å; L37-S41 PolarHBondContact O-N 2.93Å; S41-T47 PolarHBondContact O-OG1 3.09Å; S41-L82 WeakPolarHBondContact OG-CD1 3.33Å; S41-W83 WeakPolarHBondContact O-CZ2 3.34Å; S41-W83 PolarHBondContact O-NE1 3.46Å; S41-W83 PolarHBondContact OG-NE1 2.89Å
42N86.7Confident89.9Confident19 Ų1923.5 Ų23.510%0.10213%0.125CC..THydrogen-bonded Turntrans-94.85178.6-75.4-85.5000113.7Q38 C39 L40 P44 V314 I332Q38-N42 PolarHBondContact O-N 2.95Å; Q38-N42 PolarHBondContact O-ND2 3.11Å; C39-N42 PolarHBondContact O-N 3.44Å; L40-N42 PolarHBondContact O-N 2.76Å; L40-N42 VanDerWaalsContact O-N 3.13Å; N42-P44 WeakPolarHBondContact O-CD 3.41Å; N42-V314 HydrophobicContact CB-CG1 4.18Å; N42-V314 WeakPolarHBondContact O-CG1 3.32Å; N42-I332 HydrophobicContact CB-CD1 4.15Å; N42-I332 WeakPolarHBondContact ND2-CD1 3.48Å; N42-I332 WeakPolarHBondContact OD1-CD1 3.49Å
43V89.9Confident90.7Very high0 Ų023.5 Ų23.50%013%0.131CC..  trans-80.1105.7169.5177.80000108.7L40 P45 L46 T47 F163 V258 L344L40-V43 WeakPolarHBondContact O-CB 3.34Å; L40-V43 PolarHBondContact O-N 3.15Å; V43-P45 HydrophobicContact CG1-CG 4.02Å; V43-L46 HydrophobicContact CB-CB 4.02Å; V43-L46 HydrophobicContact CG1-CB 3.81Å; V43-L46 PolarHBondContact O-N 2.75Å; V43-T47 PolarHBondContact O-N 3.36Å; V43-T47 PolarHBondContact O-OG1 3.29Å; V43-F163 HydrophobicContact CG1-CZ 4.14Å; V43-F163 HydrophobicContact CG2-CZ 4.27Å; V43-V258 HydrophobicContact CG1-CG1 4.24Å; V43-V258 HydrophobicContact CG1-CG2 3.56Å; V43-V258 HydrophobicContact CG2-CG1 4.17Å; V43-L344 HydrophobicContact CG2-CD2 3.62Å
44P88.3Confident91.2Very high46 Ų4629.4 Ų29.430%0.29916%0.157SC..Hα-helixtrans-59-45.1-169.5-24.336.2000115.5N42 L46 K48N42-P44 WeakPolarHBondContact O-CD 3.41Å; P44-L46 VanDerWaalsContact C-N 3.34Å; P44-L46 PolarHBondContact O-N 3.07Å; P44-K48 VanDerWaalsContact O-CB 3.27Å; P44-K48 WeakPolarHBondContact O-CB 3.39Å; P44-K48 PolarHBondContact O-N 2.54Å
45P92.2Very high91.7Very high32 Ų3229.2 Ų29.221%0.20816%0.155CC..Hα-helixtrans-66.5-36.8-179.825.7-34.6000112.4V43 Y49 L162 F346V43-P45 HydrophobicContact CG1-CG 4.02Å; P45-Y49 WeakPolarHBondContact O-CB 3.35Å; P45-Y49 PolarHBondContact O-N 2.81Å; P45-L162 HydrophobicContact CB-CD1 4.02Å; P45-L162 HydrophobicContact CB-CD2 3.75Å; P45-L162 HydrophobicContact CG-CD1 3.93Å; P45-L162 HydrophobicContact CG-CD2 3.63Å; P45-L162 HydrophobicContact CG-CG 4.43Å; P45-F346 HydrophobicContact CG-CE2 3.8Å
46L94.2Very high92.2Very high0 Ų035.1 Ų35.10%018%0.18CC..Hα-helixtrans-66.3-49.7177.4-172.766.3000110.9L40 V43 P44 K48 Y49 F50 Y75 I158 I159 L162 F163L40-L46 HydrophobicContact CB-CD2 4.34Å; L40-L46 HydrophobicContact CD2-CD2 4.36Å; V43-L46 HydrophobicContact CB-CB 4.02Å; V43-L46 HydrophobicContact CG1-CB 3.81Å; V43-L46 PolarHBondContact O-N 2.75Å; P44-L46 VanDerWaalsContact C-N 3.34Å; P44-L46 PolarHBondContact O-N 3.07Å; L46-K48 VanDerWaalsContact C-N 3.34Å; L46-K48 PolarHBondContact O-N 3.48Å; L46-Y49 WeakPolarHBondContact O-CB 3.21Å; L46-Y49 PolarHBondContact O-N 3.43Å; L46-F50 HydrophobicContact CD1-CD2 4.15Å; L46-F50 HydrophobicContact CD1-CE2 3.65Å; L46-F50 HydrophobicContact CG-CD2 4.15Å; L46-F50 HydrophobicContact CG-CE2 4.01Å; L46-F50 WeakPolarHBondContact O-CD2 3.21Å; L46-F50 PolarHBondContact O-N 3.28Å; L46-F50 VanDerWaalsContact O-N 3.12Å; L46-Y75 HydrophobicContact CD2-CE1 4.42Å; L46-I158 HydrophobicContact CD1-CG1 4.38Å; L46-I158 HydrophobicContact CD1-CG2 4.39Å; L46-I159 HydrophobicContact CD1-CD1 3.87Å; L46-L162 HydrophobicContact CB-CD1 4.01Å; L46-L162 HydrophobicContact CD1-CD1 4.28Å; L46-F163 HydrophobicContact CD1-CE2 4.43Å; L46-F163 HydrophobicContact CD2-CE2 4.07Å; L46-F163 HydrophobicContact CD2-CZ 4.05Å
47T93.6Very high92.6Very high6 Ų641.8 Ų41.84%0.03722%0.215CC..Hα-helixtrans-61.5-42.6178.1-70.80000111.7S41 V43 Y49 F50 L51 I79 W83S41-T47 PolarHBondContact O-OG1 3.09Å; V43-T47 PolarHBondContact O-N 3.36Å; V43-T47 PolarHBondContact O-OG1 3.29Å; T47-Y49 VanDerWaalsContact C-N 3.32Å; T47-Y49 PolarHBondContact O-N 2.79Å; T47-F50 PolarHBondContact O-N 3.06Å; T47-L51 HydrophobicContact CG2-CD1 3.69Å; T47-L51 HydrophobicContact CG2-CG 4.17Å; T47-L51 WeakPolarHBondContact O-CB 3.36Å; T47-L51 VanDerWaalsContact O-CG 3.28Å; T47-L51 WeakPolarHBondContact O-CG 3.07Å; T47-L51 PolarHBondContact O-N 2.89Å; T47-I79 HydrophobicContact CG2-CG2 4.02Å; T47-W83 HydrophobicContact CG2-CD2 3.96Å; T47-W83 HydrophobicContact CG2-CG 4.08Å; T47-W83 HydrophobicContact CG2-CZ2 4.14Å
48K94.2Very high92.9Very high161 Ų16143.9 Ų43.970%0.723%0.225SC*.Hα-helixtrans-60.9-41.4175.8-174.7177.5-179.61800111.8P44 L46 S52P44-K48 VanDerWaalsContact O-CB 3.27Å; P44-K48 WeakPolarHBondContact O-CB 3.39Å; P44-K48 PolarHBondContact O-N 2.54Å; L46-K48 VanDerWaalsContact C-N 3.34Å; L46-K48 PolarHBondContact O-N 3.48Å; K48-S52 VanDerWaalsContact O-CB 3.27Å; K48-S52 WeakPolarHBondContact O-CB 3.15Å; K48-S52 PolarHBondContact O-N 2.61Å; K48-S52 PolarHBondContact O-OG 2.93Å
49Y96Very high93.4Very high17 Ų1744.2 Ų44.27%0.06723%0.227CC..Hα-helixtrans-58.9-50.4177171.1-91.3000111.5P45 L46 T47 S52 K54 Y55 E58 L121 I158P45-Y49 WeakPolarHBondContact O-CB 3.35Å; P45-Y49 PolarHBondContact O-N 2.81Å; L46-Y49 WeakPolarHBondContact O-CB 3.21Å; L46-Y49 PolarHBondContact O-N 3.43Å; T47-Y49 VanDerWaalsContact C-N 3.32Å; T47-Y49 PolarHBondContact O-N 2.79Å; Y49-S52 PolarHBondContact O-N 2.94Å; Y49-S52 PolarHBondContact O-OG 3.43Å; Y49-K54 HydrophobicContact CD2-CB 4.14Å; Y49-K54 HydrophobicContact CE2-CB 4.08Å; Y49-Y55 WeakPolarHBondContact OH-CA 3.36Å; Y49-E58 WeakPolarHBondContact CE2-OE2 3.29Å; Y49-E58 VanDerWaalsContact CZ-OE2 3.29Å; Y49-E58 WeakPolarHBondContact OH-CB 3.45Å; Y49-E58 PolarHBondContact OH-OE2 3.35Å; Y49-L121 HydrophobicContact CE1-CD1 3.97Å; Y49-I158 HydrophobicContact CD1-CB 4.37Å; Y49-I158 HydrophobicContact CD1-CG1 4.14Å; Y49-I158 HydrophobicContact CD1-CG2 4.02Å; Y49-I158 HydrophobicContact CD2-CB 4.23Å; Y49-I158 HydrophobicContact CD2-CD1 4.13Å; Y49-I158 HydrophobicContact CD2-CG1 3.95Å; Y49-I158 HydrophobicContact CE1-CB 4.18Å; Y49-I158 HydrophobicContact CE1-CG1 4.45Å; Y49-I158 HydrophobicContact CE1-CG2 3.65Å; Y49-I158 HydrophobicContact CE2-CB 4.02Å; Y49-I158 HydrophobicContact CE2-CG1 4.27Å; Y49-I158 HydrophobicContact CE2-CG2 4.37Å; Y49-I158 HydrophobicContact CG-CB 4.38Å; Y49-I158 HydrophobicContact CG-CD1 4.36Å; Y49-I158 HydrophobicContact CG-CG1 3.86Å
50F96.8Very high93.7Very high1 Ų144.1 Ų44.10%0.00423%0.227CC..Hα-helixtrans-67.4-40.9178.4-77.8-74.4000113.7L46 T47 S52 G53 Y55 Y75 A76 I79 L117 L121L46-F50 HydrophobicContact CD1-CD2 4.15Å; L46-F50 HydrophobicContact CD1-CE2 3.65Å; L46-F50 HydrophobicContact CG-CD2 4.15Å; L46-F50 HydrophobicContact CG-CE2 4.01Å; L46-F50 WeakPolarHBondContact O-CD2 3.21Å; L46-F50 PolarHBondContact O-N 3.28Å; L46-F50 VanDerWaalsContact O-N 3.12Å; T47-F50 PolarHBondContact O-N 3.06Å; F50-S52 VanDerWaalsContact C-N 3.29Å; F50-S52 PolarHBondContact O-N 2.94Å; F50-G53 PolarHBondContact O-N 2.86Å; F50-Y55 AromaticContact CD1-CD1 3.76Å; F50-Y55 HydrophobicContact CD1-CD1 3.76Å; F50-Y55 HydrophobicContact CD1-CD2 4.24Å; F50-Y55 HydrophobicContact CD1-CE1 4.37Å; F50-Y55 AromaticContact CD1-CG 3.67Å; F50-Y55 HydrophobicContact CD1-CG 3.67Å; F50-Y55 HydrophobicContact CE1-CD1 4.49Å; F50-Y55 HydrophobicContact CE1-CD2 4.24Å; F50-Y55 AromaticContact CE1-CG 3.95Å; F50-Y55 HydrophobicContact CE1-CG 3.95Å; F50-Y75 HydrophobicContact CD1-CD1 4.21Å; F50-Y75 AromaticContact CD2-CD1 3.76Å; F50-Y75 HydrophobicContact CD2-CD1 3.76Å; F50-Y75 AromaticContact CD2-CE1 3.51Å; F50-Y75 HydrophobicContact CD2-CE1 3.51Å; F50-Y75 AromaticContact CE1-CD1 3.9Å; F50-Y75 HydrophobicContact CE1-CD1 3.9Å; F50-Y75 AromaticContact CE2-CD1 3.43Å; F50-Y75 HydrophobicContact CE2-CD1 3.43Å; F50-Y75 VanDerWaalsContact CE2-CD1 3.43Å; F50-Y75 AromaticContact CE2-CE1 3.34Å; F50-Y75 HydrophobicContact CE2-CE1 3.34Å; F50-Y75 HydrophobicContact CG-CD1 4.13Å; F50-Y75 HydrophobicContact CG-CE1 4.23Å; F50-Y75 AromaticContact CZ-CD1 3.5Å; F50-Y75 HydrophobicContact CZ-CD1 3.5Å; F50-Y75 AromaticContact CZ-CE1 3.94Å; F50-Y75 HydrophobicContact CZ-CE1 3.94Å; F50-A76 HydrophobicContact CD1-CB 3.64Å; F50-A76 HydrophobicContact CE1-CB 4.25Å; F50-I79 HydrophobicContact CB-CB 4.46Å; F50-I79 HydrophobicContact CB-CG2 4.18Å; F50-L117 HydrophobicContact CZ-CD2 4.26Å; F50-L121 HydrophobicContact CE1-CD1 4.16Å; F50-L121 HydrophobicContact CZ-CD1 3.7Å
51L95.2Very high93.8Very high80 Ų8049.4 Ų49.442%0.41926%0.255SS..Hα-helixtrans-66.8-29.7177.5-69.3178.9000112.9T47 G53 I79 R80 W83T47-L51 HydrophobicContact CG2-CD1 3.69Å; T47-L51 HydrophobicContact CG2-CG 4.17Å; T47-L51 WeakPolarHBondContact O-CB 3.36Å; T47-L51 VanDerWaalsContact O-CG 3.28Å; T47-L51 WeakPolarHBondContact O-CG 3.07Å; T47-L51 PolarHBondContact O-N 2.89Å; L51-G53 PolarHBondContact O-N 3.1Å; L51-I79 HydrophobicContact CD2-CG2 3.89Å; L51-I79 HydrophobicContact CG-CG2 3.95Å; L51-R80 HydrophobicContact CD2-CG 4.19Å; L51-W83 HydrophobicContact CD1-CB 3.87Å; L51-W83 HydrophobicContact CD1-CG 4.1Å; L51-W83 HydrophobicContact CD2-CB 4.12Å
52S95.5Very high93.9Very high65 Ų6554.4 Ų54.446%0.45529%0.285SS..THydrogen-bonded Turntrans-71.6-14.3176.571.80000114K48 Y49 F50 K54K48-S52 VanDerWaalsContact O-CB 3.27Å; K48-S52 WeakPolarHBondContact O-CB 3.15Å; K48-S52 PolarHBondContact O-N 2.61Å; K48-S52 PolarHBondContact O-OG 2.93Å; Y49-S52 PolarHBondContact O-N 2.94Å; Y49-S52 PolarHBondContact O-OG 3.43Å; F50-S52 VanDerWaalsContact C-N 3.29Å; F50-S52 PolarHBondContact O-N 2.94Å; S52-K54 PolarHBondContact O-N 3.21Å; S52-K54 VanDerWaalsContact OG-CG 3.31Å; S52-K54 WeakPolarHBondContact OG-CG 3.39Å; S52-K54 PolarHBondContact OG-N 2.83Å
53G94.7Very high94.1Very high22 Ų2253.9 Ų53.923%0.22728%0.283CS..THydrogen-bonded Turntrans81.4-7.9-17600000115F50 L51 Y55 K56F50-G53 PolarHBondContact O-N 2.86Å; L51-G53 PolarHBondContact O-N 3.1Å; G53-Y55 PolarHBondContact O-N 2.74Å; G53-Y55 VanDerWaalsContact O-N 3.07Å; G53-K56 WeakPolarHBondContact O-CB 3.32Å; G53-K56 WeakPolarHBondContact O-CG 3.38Å; G53-K56 PolarHBondContact O-N 2.96Å
54K94.9Very high94.1Very high129 Ų12959.7 Ų59.756%0.56132%0.32SS*.THydrogen-bonded Turntrans-52.6-31.1179.9-75-176.7177-161.70114.5Y49 S52 K56 D57Y49-K54 HydrophobicContact CD2-CB 4.14Å; Y49-K54 HydrophobicContact CE2-CB 4.08Å; S52-K54 PolarHBondContact O-N 3.21Å; S52-K54 VanDerWaalsContact OG-CG 3.31Å; S52-K54 WeakPolarHBondContact OG-CG 3.39Å; S52-K54 PolarHBondContact OG-N 2.83Å; K54-K56 PolarHBondContact O-N 3.29Å; K54-K56 VanDerWaalsContact O-N 3.14Å; K54-D57 PolarHBondContact O-N 3.5Å; K54-D57 VanDerWaalsContact O-N 3.15Å
55Y96.3Very high94.1Very high9 Ų962.4 Ų62.44%0.03533%0.332CS..Hα-helixtrans-55.1-31.9177.677.4-86000112.8Y49 F50 G53 D57 E58 I59 V73 A76Y49-Y55 WeakPolarHBondContact OH-CA 3.36Å; F50-Y55 AromaticContact CD1-CD1 3.76Å; F50-Y55 HydrophobicContact CD1-CD1 3.76Å; F50-Y55 HydrophobicContact CD1-CD2 4.24Å; F50-Y55 HydrophobicContact CD1-CE1 4.37Å; F50-Y55 AromaticContact CD1-CG 3.67Å; F50-Y55 HydrophobicContact CD1-CG 3.67Å; F50-Y55 HydrophobicContact CE1-CD1 4.49Å; F50-Y55 HydrophobicContact CE1-CD2 4.24Å; F50-Y55 AromaticContact CE1-CG 3.95Å; F50-Y55 HydrophobicContact CE1-CG 3.95Å; G53-Y55 PolarHBondContact O-N 2.74Å; G53-Y55 VanDerWaalsContact O-N 3.07Å; Y55-D57 PolarHBondContact O-N 2.78Å; Y55-E58 PolarHBondContact O-N 2.76Å; Y55-E58 VanDerWaalsContact O-N 3.12Å; Y55-I59 HydrophobicContact CD2-CD1 3.93Å; Y55-I59 HydrophobicContact CD2-CG1 4.32Å; Y55-I59 HydrophobicContact CE2-CD1 4.06Å; Y55-I59 WeakPolarHBondContact O-CG1 3.46Å; Y55-I59 PolarHBondContact O-N 2.98Å; Y55-V73 HydrophobicContact CE2-CG2 4.49Å; Y55-A76 HydrophobicContact CD1-CB 4.25Å; Y55-A76 HydrophobicContact CD2-CB 4.25Å; Y55-A76 HydrophobicContact CE1-CB 3.62Å; Y55-A76 HydrophobicContact CE2-CB 3.65Å; Y55-A76 WeakPolarHBondContact OH-CB 3.45Å
56K96Very high94Very high127 Ų12761.9 Ų61.955%0.55233%0.332SS*.Hα-helixtrans-60.5-35.2-178.6-64.9-179.2179.1-176.50112.7G53 K54G53-K56 WeakPolarHBondContact O-CB 3.32Å; G53-K56 WeakPolarHBondContact O-CG 3.38Å; G53-K56 PolarHBondContact O-N 2.96Å; K54-K56 PolarHBondContact O-N 3.29Å; K54-K56 VanDerWaalsContact O-N 3.14Å
57D94.5Very high93.8Very high141 Ų14164.7 Ų64.775%0.75435%0.346SS*.Hα-helixtrans-78.6-24.3-179.1-53.3-37.5000111.7K54 Y55K54-D57 PolarHBondContact O-N 3.5Å; K54-D57 VanDerWaalsContact O-N 3.15Å; Y55-D57 PolarHBondContact O-N 2.78Å
58E95.2Very high93.7Very high45 Ų4566.2 Ų66.221%0.2136%0.363CS..Hα-helixtrans-96.3-8.3-178.1-64.4-167.9158.500113.7Y49 Y55 N60 R123Y49-E58 WeakPolarHBondContact CE2-OE2 3.29Å; Y49-E58 VanDerWaalsContact CZ-OE2 3.29Å; Y49-E58 WeakPolarHBondContact OH-CB 3.45Å; Y49-E58 PolarHBondContact OH-OE2 3.35Å; Y55-E58 PolarHBondContact O-N 2.76Å; Y55-E58 VanDerWaalsContact O-N 3.12Å; E58-N60 PolarHBondContact O-N 3.11Å; E58-R123 IonicContact OE1-CZ 2.74Å; E58-R123 IonicContact OE1-NE 2.74Å; E58-R123 PolarHBondContact OE1-NE 3.21Å; E58-R123 IonicContact OE1-NH2 3.23Å; E58-R123 PolarHBondContact OE1-NH2 3.01Å; E58-R123 IonicContact OE2-NE 3.73Å; E58-R123 IonicContact OE2-NH2 3.17Å
59I96.2Very high93.7Very high27 Ų2758.7 Ų58.714%0.13833%0.331CS..  trans-53.1131.7178.3-79.6168000110.9Y55 N61 A72 V73 D120 L121 K125Y55-I59 HydrophobicContact CD2-CD1 3.93Å; Y55-I59 HydrophobicContact CD2-CG1 4.32Å; Y55-I59 HydrophobicContact CE2-CD1 4.06Å; Y55-I59 WeakPolarHBondContact O-CG1 3.46Å; Y55-I59 PolarHBondContact O-N 2.98Å; I59-N61 WeakPolarHBondContact CG2-OD1 3.27Å; I59-A72 HydrophobicContact CG1-CB 4.47Å; I59-V73 HydrophobicContact CD1-CG2 3.69Å; I59-D120 CarbonylContact C-O 3.56Å; I59-D120 WeakPolarHBondContact CA-O 3.45Å; I59-L121 HydrophobicContact CG1-CD2 4.04Å; I59-K125 PolarHBondContact O-NZ 3.05Å
60N94.5Very high93.6Very high0 Ų064 Ų640%036%0.356CS..  trans-114.285.3-179.1-167.6-7.8000111.8E58 V62 N63 D120 N122 I124 K125E58-N60 PolarHBondContact O-N 3.11Å; N60-V62 PolarHBondContact O-N 3.43Å; N60-V62 WeakPolarHBondContact OD1-CG2 3.34Å; N60-V62 PolarHBondContact OD1-N 2.87Å; N60-N63 HydrophobicContact CB-CB 4.34Å; N60-N63 PolarHBondContact OD1-N 3.22Å; N60-D120 PolarHBondContact N-O 3.36Å; N60-N122 WeakPolarHBondContact CB-O 3.21Å; N60-N122 PolarHBondContact ND2-O 3.36Å; N60-I124 PolarHBondContact ND2-O 2.87Å; N60-K125 HydrophobicContact CB-CD 4.35Å; N60-K125 WeakPolarHBondContact OD1-CD 3.47Å
61N93.7Very high93.4Very high110 Ų11064 Ų6459%0.58836%0.356SS*.THydrogen-bonded Turntrans-73-9.3180-58.7-30.1000114.4I59 G68I59-N61 WeakPolarHBondContact CG2-OD1 3.27Å; N61-G68 PolarHBondContact OD1-O 3.49Å
62V92.7Very high93.4Very high105 Ų10560.1 Ų60.164%0.63634%0.336SS*.THydrogen-bonded Turntrans-107.6-4.6-174.8-60.90000113N60 P64 K125N60-V62 PolarHBondContact O-N 3.43Å; N60-V62 WeakPolarHBondContact OD1-CG2 3.34Å; N60-V62 PolarHBondContact OD1-N 2.87Å; V62-P64 VanDerWaalsContact O-CD 3.31Å; V62-P64 WeakPolarHBondContact O-CD 3.4Å; V62-K125 HydrophobicContact CG2-CB 4.32Å; V62-K125 HydrophobicContact CG2-CD 4.26Å
63N91.6Very high93.5Very high9 Ų960.3 Ų60.35%0.04833%0.334CS..  trans-71.3116.8-179.7-173.33.5000110.1N60 L65 G66 E119N60-N63 HydrophobicContact CB-CB 4.34Å; N60-N63 PolarHBondContact OD1-N 3.22Å; N63-L65 PolarHBondContact O-N 2.47Å; N63-L65 VanDerWaalsContact O-N 3.12Å; N63-L65 PolarHBondContact OD1-N 2.92Å; N63-G66 PolarHBondContact O-N 3.27Å; N63-E119 PolarHBondContact ND2-O 3.02Å; N63-E119 PolarHBondContact ND2-OE2 3.48Å
64P90.1Very high93.5Very high121 Ų12159.7 Ų59.779%0.78633%0.327SS*.THydrogen-bonded Turntrans-65.8-15.2-179.827.6-35.9000113.4V62V62-P64 VanDerWaalsContact O-CD 3.31Å; V62-P64 WeakPolarHBondContact O-CD 3.4Å
65L89Confident93.5Very high104 Ų10453.5 Ų53.555%0.54530%0.3SS..THydrogen-bonded Turntrans-93.2-7.7175.8-59.1174.7000112.9N63 E119 K127N63-L65 PolarHBondContact O-N 2.47Å; N63-L65 VanDerWaalsContact O-N 3.12Å; N63-L65 PolarHBondContact OD1-N 2.92Å; L65-E119 HydrophobicContact CB-CB 4.47Å; L65-E119 HydrophobicContact CB-CG 4.03Å; L65-E119 WeakPolarHBondContact O-CB 3.07Å; L65-K127 HydrophobicContact CD1-CD 4.25Å
66G89.2Confident93.5Very high20 Ų2053.1 Ų53.121%0.20630%0.298CS..SBendtrans-90.6-173.6177.500000113N63N63-G66 PolarHBondContact O-N 3.27Å
67M91Very high93.4Very high60 Ų6048.6 Ų48.630%0.29628%0.28SS..  trans-11434.1177.3-61.5174.6-164.100110.8G69 E70 L71 I98 F112 D120M67-G69 PolarHBondContact O-N 2.85Å; M67-E70 WeakPolarHBondContact O-CB 3.02Å; M67-E70 WeakPolarHBondContact O-CG 3.24Å; M67-E70 PolarHBondContact O-N 2.85Å; M67-E70 VanDerWaalsContact O-N 3.13Å; M67-L71 HydrophobicContact CB-CB 4.43Å; M67-L71 HydrophobicContact CE-CD2 4.28Å; M67-L71 HydrophobicContact SD-CB 3.88Å; M67-L71 HydrophobicContact SD-CD2 3.91Å; M67-L71 HydrophobicContact SD-CG 4.39Å; M67-I98 HydrophobicContact SD-CG2 3.96Å; M67-F112 HydrophobicContact CE-CE1 3.73Å; M67-F112 HydrophobicContact CE-CE2 3.71Å; M67-F112 HydrophobicContact CE-CZ 3.12Å; M67-F112 HydrophobicContact SD-CZ 4.22Å; M67-D120 WeakPolarHBondContact CA-OD1 3Å; M67-D120 PolarHBondContact N-OD1 3.28Å
68G91Very high93.4Very high38 Ų3842 Ų4239%0.39225%0.245SC..THydrogen-bonded Turntrans63.222.2-178.600000114.2N61 E70N61-G68 PolarHBondContact OD1-O 3.49Å; G68-E70 PolarHBondContact O-N 3.13Å
69G93.1Very high93.3Very high3 Ų340 Ų403%0.03124%0.236CC..THydrogen-bonded Turntrans81.3-5.4-176.100000114.7M67 L71 A72 V73 D120M67-G69 PolarHBondContact O-N 2.85Å; G69-L71 VanDerWaalsContact C-N 3.34Å; G69-L71 PolarHBondContact O-N 3.49Å; G69-A72 PolarHBondContact O-N 2.93Å; G69-V73 WeakPolarHBondContact O-CG2 3.41Å; G69-V73 PolarHBondContact O-N 3.04Å; G69-D120 VanDerWaalsContact CA-OD2 3.23Å; G69-D120 WeakPolarHBondContact CA-OD2 3.47Å; G69-D120 PolarHBondContact N-OD1 3.4Å
70E93.6Very high93.2Very high128 Ų12844.2 Ų44.260%0.59825%0.25SS*.Hα-helixtrans-64.5-37.9-174.7-66.4-169.1-178.400112.4M67 G68 V73 A74 I98 D120M67-E70 WeakPolarHBondContact O-CB 3.02Å; M67-E70 WeakPolarHBondContact O-CG 3.24Å; M67-E70 PolarHBondContact O-N 2.85Å; M67-E70 VanDerWaalsContact O-N 3.13Å; G68-E70 PolarHBondContact O-N 3.13Å; E70-V73 PolarHBondContact O-N 2.85Å; E70-A74 VanDerWaalsContact O-CB 3.28Å; E70-A74 WeakPolarHBondContact O-CB 3.5Å; E70-A74 PolarHBondContact O-N 2.94Å; E70-I98 HydrophobicContact CB-CD1 4.04Å; E70-I98 WeakPolarHBondContact O-CD1 3.26Å; E70-D120 PolarHBondContact N-OD2 3.29Å
71L93.7Very high93.2Very high0 Ų046.7 Ų46.70%026%0.263CS..Hα-helixtrans-68.1-43.9179.5-179.566.4000110.4M67 G69 V73 A74 Y75 F95 I98 L99 L113 L117 D120M67-L71 HydrophobicContact CB-CB 4.43Å; M67-L71 HydrophobicContact CE-CD2 4.28Å; M67-L71 HydrophobicContact SD-CB 3.88Å; M67-L71 HydrophobicContact SD-CD2 3.91Å; M67-L71 HydrophobicContact SD-CG 4.39Å; G69-L71 VanDerWaalsContact C-N 3.34Å; G69-L71 PolarHBondContact O-N 3.49Å; L71-V73 PolarHBondContact O-N 2.87Å; L71-A74 PolarHBondContact O-N 3.14Å; L71-Y75 VanDerWaalsContact O-CB 3.29Å; L71-Y75 WeakPolarHBondContact O-CB 3.48Å; L71-Y75 PolarHBondContact O-N 3.49Å; L71-F95 HydrophobicContact CD1-CD2 4.25Å; L71-F95 HydrophobicContact CD1-CE2 3.62Å; L71-F95 HydrophobicContact CD1-CZ 4.15Å; L71-I98 HydrophobicContact CB-CG2 4.31Å; L71-I98 HydrophobicContact CD1-CG2 4.06Å; L71-L99 HydrophobicContact CD1-CD2 4.48Å; L71-L113 HydrophobicContact CD1-CD2 4.28Å; L71-L117 HydrophobicContact CD2-CG 4.44Å; L71-L117 HydrophobicContact CG-CD2 4.2Å; L71-D120 WeakPolarHBondContact CA-OD2 3.23Å; L71-D120 WeakPolarHBondContact CB-OD2 3.19Å; L71-D120 PolarHBondContact N-OD2 2.8Å
72A95.8Very high93Very high0 Ų041.6 Ų41.60%024%0.236CC..Hα-helixtrans-61-42.8175.800000112.3I59 G69 A76 L117 D120 L121I59-A72 HydrophobicContact CG1-CB 4.47Å; G69-A72 PolarHBondContact O-N 2.93Å; A72-A76 WeakPolarHBondContact O-CB 3.42Å; A72-A76 PolarHBondContact O-N 2.88Å; A72-L117 HydrophobicContact CB-CD2 4.32Å; A72-D120 HydrophobicContact CB-CB 3.85Å; A72-D120 PolarHBondContact N-OD2 3.29Å; A72-L121 HydrophobicContact CB-CD1 4.41Å; A72-L121 HydrophobicContact CB-CD2 3.93Å; A72-L121 HydrophobicContact CB-CG 4.03Å
73V95.9Very high93Very high69 Ų6938.6 Ų38.642%0.41821%0.213SC..Hα-helixtrans-65.3-44.7176.7172.80000111.3Y55 I59 G69 E70 L71 A76 D77Y55-V73 HydrophobicContact CE2-CG2 4.49Å; I59-V73 HydrophobicContact CD1-CG2 3.69Å; G69-V73 WeakPolarHBondContact O-CG2 3.41Å; G69-V73 PolarHBondContact O-N 3.04Å; E70-V73 PolarHBondContact O-N 2.85Å; L71-V73 PolarHBondContact O-N 2.87Å; V73-A76 PolarHBondContact O-N 2.82Å; V73-D77 PolarHBondContact O-N 3.48Å
74A94.8Very high93Very high8 Ų840 Ų407%0.06622%0.224CC..Hα-helixtrans-65.1-42178.200000111.9E70 L71 D77 V78 F95 I98E70-A74 VanDerWaalsContact O-CB 3.28Å; E70-A74 WeakPolarHBondContact O-CB 3.5Å; E70-A74 PolarHBondContact O-N 2.94Å; L71-A74 PolarHBondContact O-N 3.14Å; A74-D77 WeakPolarHBondContact O-CB 3.37Å; A74-D77 PolarHBondContact O-N 2.72Å; A74-V78 WeakPolarHBondContact O-CG2 3.46Å; A74-V78 PolarHBondContact O-N 3.45Å; A74-V78 VanDerWaalsContact O-N 3.11Å; A74-F95 HydrophobicContact CB-CB 4.49Å; A74-F95 HydrophobicContact CB-CD2 3.95Å; A74-I98 HydrophobicContact CB-CD1 3.48Å; A74-I98 VanDerWaalsContact CB-CD1 3.48Å
75Y95.5Very high92.7Very high0 Ų034.7 Ų34.70%019%0.191CC..Hα-helixtrans-62.4-44.3175.1-176.4-97.6000111.6L37 L40 L46 F50 L71 D77 V78 I79 F95 L117L37-Y75 HydrophobicContact CD2-CD2 3.77Å; L37-Y75 HydrophobicContact CD2-CE2 3.74Å; L40-Y75 HydrophobicContact CB-CE2 4.32Å; L40-Y75 WeakPolarHBondContact CB-OH 3.21Å; L40-Y75 HydrophobicContact CD1-CE2 4.36Å; L46-Y75 HydrophobicContact CD2-CE1 4.42Å; F50-Y75 HydrophobicContact CD1-CD1 4.21Å; F50-Y75 AromaticContact CD2-CD1 3.76Å; F50-Y75 HydrophobicContact CD2-CD1 3.76Å; F50-Y75 AromaticContact CD2-CE1 3.51Å; F50-Y75 HydrophobicContact CD2-CE1 3.51Å; F50-Y75 AromaticContact CE1-CD1 3.9Å; F50-Y75 HydrophobicContact CE1-CD1 3.9Å; F50-Y75 AromaticContact CE2-CD1 3.43Å; F50-Y75 HydrophobicContact CE2-CD1 3.43Å; F50-Y75 VanDerWaalsContact CE2-CD1 3.43Å; F50-Y75 AromaticContact CE2-CE1 3.34Å; F50-Y75 HydrophobicContact CE2-CE1 3.34Å; F50-Y75 HydrophobicContact CG-CD1 4.13Å; F50-Y75 HydrophobicContact CG-CE1 4.23Å; F50-Y75 AromaticContact CZ-CD1 3.5Å; F50-Y75 HydrophobicContact CZ-CD1 3.5Å; F50-Y75 AromaticContact CZ-CE1 3.94Å; F50-Y75 HydrophobicContact CZ-CE1 3.94Å; L71-Y75 VanDerWaalsContact O-CB 3.29Å; L71-Y75 WeakPolarHBondContact O-CB 3.48Å; L71-Y75 PolarHBondContact O-N 3.49Å; Y75-D77 PolarHBondContact O-N 2.78Å; Y75-V78 WeakPolarHBondContact O-CB 3.31Å; Y75-V78 PolarHBondContact O-N 2.84Å; Y75-V78 VanDerWaalsContact O-N 3.13Å; Y75-I79 HydrophobicContact CD1-CG1 3.93Å; Y75-I79 HydrophobicContact CE1-CD1 3.99Å; Y75-I79 HydrophobicContact CE1-CG1 3.48Å; Y75-I79 VanDerWaalsContact CE1-CG1 3.48Å; Y75-I79 HydrophobicContact CE2-CD1 4.4Å; Y75-I79 HydrophobicContact CE2-CG1 4.43Å; Y75-I79 WeakPolarHBondContact O-CG1 3.37Å; Y75-I79 PolarHBondContact O-N 2.77Å; Y75-F95 HydrophobicContact CD2-CE2 4.08Å; Y75-F95 HydrophobicContact CD2-CZ 4.34Å; Y75-L117 HydrophobicContact CD1-CD1 4.2Å; Y75-L117 HydrophobicContact CD1-CD2 4.33Å; Y75-L117 HydrophobicContact CD2-CD1 4.21Å; Y75-L117 HydrophobicContact CE1-CD1 4.37Å; Y75-L117 HydrophobicContact CE2-CD1 4.38Å; Y75-L117 HydrophobicContact CG-CD1 4.11Å; Y75-L117 HydrophobicContact CG-CD2 4.08Å
76A95.9Very high92.6Very high0 Ų037.4 Ų37.40%020%0.198CC..Hα-helixtrans-59-36.7175.400000112.2F50 Y55 A72 V73 I79 R80F50-A76 HydrophobicContact CD1-CB 3.64Å; F50-A76 HydrophobicContact CE1-CB 4.25Å; Y55-A76 HydrophobicContact CD1-CB 4.25Å; Y55-A76 HydrophobicContact CD2-CB 4.25Å; Y55-A76 HydrophobicContact CE1-CB 3.62Å; Y55-A76 HydrophobicContact CE2-CB 3.65Å; Y55-A76 WeakPolarHBondContact OH-CB 3.45Å; A72-A76 WeakPolarHBondContact O-CB 3.42Å; A72-A76 PolarHBondContact O-N 2.88Å; V73-A76 PolarHBondContact O-N 2.82Å; A76-I79 PolarHBondContact O-N 2.98Å; A76-R80 WeakPolarHBondContact O-CB 3.21Å; A76-R80 VanDerWaalsContact O-CG 3.29Å; A76-R80 WeakPolarHBondContact O-CG 3.29Å; A76-R80 PolarHBondContact O-N 3.23Å
77D94.6Very high92.3Very high33 Ų3338.5 Ų38.518%0.17621%0.205CC..Hα-helixtrans-64.4-43.9175-161.744.2000112.2V73 A74 Y75 R80 N81V73-D77 PolarHBondContact O-N 3.48Å; A74-D77 WeakPolarHBondContact O-CB 3.37Å; A74-D77 PolarHBondContact O-N 2.72Å; Y75-D77 PolarHBondContact O-N 2.78Å; D77-R80 PolarHBondContact O-N 3.28Å; D77-R80 IonicContact OD1-CZ 3.54Å; D77-R80 IonicContact OD1-NH2 3.61Å; D77-R80 PolarHBondContact OD1-NH2 3Å; D77-N81 PolarHBondContact O-N 2.68Å; D77-N81 VanDerWaalsContact O-N 3.1Å; D77-N81 PolarHBondContact O-ND2 2.93Å
78V93.8Very high92Very high3 Ų338.5 Ų38.52%0.01822%0.215CC..Hα-helixtrans-57.9-51.3173.2179.40000110.3L24 L37 A74 Y75 R80 N81 L82 F90 P92 F95L24-V78 HydrophobicContact CD2-CG1 4.25Å; L37-V78 HydrophobicContact CD1-CG1 4.33Å; L37-V78 HydrophobicContact CD2-CG1 4.43Å; A74-V78 WeakPolarHBondContact O-CG2 3.46Å; A74-V78 PolarHBondContact O-N 3.45Å; A74-V78 VanDerWaalsContact O-N 3.11Å; Y75-V78 WeakPolarHBondContact O-CB 3.31Å; Y75-V78 PolarHBondContact O-N 2.84Å; Y75-V78 VanDerWaalsContact O-N 3.13Å; V78-R80 PolarHBondContact O-N 3.46Å; V78-N81 PolarHBondContact O-N 2.92Å; V78-L82 HydrophobicContact CG1-CD1 3.75Å; V78-L82 HydrophobicContact CG1-CG 4.1Å; V78-L82 WeakPolarHBondContact O-CG 3.43Å; V78-L82 PolarHBondContact O-N 2.94Å; V78-F90 HydrophobicContact CG2-CE1 4.16Å; V78-P92 HydrophobicContact CG2-CB 4.14Å; V78-F95 HydrophobicContact CG2-CB 4.11Å; V78-F95 HydrophobicContact CG2-CD2 4.34Å; V78-F95 HydrophobicContact CG2-CG 4.25Å
79I94.5Very high91.8Very high1 Ų139.6 Ų39.61%0.00522%0.217CC..Hα-helixtrans-60.4-44.4-178.3-66-60.2000112T47 F50 L51 Y75 A76 N81 L82 W83T47-I79 HydrophobicContact CG2-CG2 4.02Å; F50-I79 HydrophobicContact CB-CB 4.46Å; F50-I79 HydrophobicContact CB-CG2 4.18Å; L51-I79 HydrophobicContact CD2-CG2 3.89Å; L51-I79 HydrophobicContact CG-CG2 3.95Å; Y75-I79 HydrophobicContact CD1-CG1 3.93Å; Y75-I79 HydrophobicContact CE1-CD1 3.99Å; Y75-I79 HydrophobicContact CE1-CG1 3.48Å; Y75-I79 VanDerWaalsContact CE1-CG1 3.48Å; Y75-I79 HydrophobicContact CE2-CD1 4.4Å; Y75-I79 HydrophobicContact CE2-CG1 4.43Å; Y75-I79 WeakPolarHBondContact O-CG1 3.37Å; Y75-I79 PolarHBondContact O-N 2.77Å; A76-I79 PolarHBondContact O-N 2.98Å; I79-N81 VanDerWaalsContact C-N 3.32Å; I79-N81 PolarHBondContact O-N 3.34Å; I79-L82 PolarHBondContact O-N 3.32Å; I79-W83 WeakPolarHBondContact O-CB 3.29Å; I79-W83 PolarHBondContact O-N 3.33Å
80R93.9Very high91.6Very high117 Ų11741.3 Ų41.344%0.44222%0.223SC..Hα-helixtrans-60.2-41.9177-74.5-177-55.2166.66.1112.1L51 A76 D77 V78 S84L51-R80 HydrophobicContact CD2-CG 4.19Å; A76-R80 WeakPolarHBondContact O-CB 3.21Å; A76-R80 VanDerWaalsContact O-CG 3.29Å; A76-R80 WeakPolarHBondContact O-CG 3.29Å; A76-R80 PolarHBondContact O-N 3.23Å; D77-R80 PolarHBondContact O-N 3.28Å; D77-R80 IonicContact OD1-CZ 3.54Å; D77-R80 IonicContact OD1-NH2 3.61Å; D77-R80 PolarHBondContact OD1-NH2 3Å; V78-R80 PolarHBondContact O-N 3.46Å; R80-S84 WeakPolarHBondContact O-CA 3.32Å; R80-S84 VanDerWaalsContact O-CB 3.28Å; R80-S84 WeakPolarHBondContact O-CB 3.1Å; R80-S84 PolarHBondContact O-N 3.27Å
81N93.1Very high91.5Very high52 Ų5238.1 Ų38.128%0.27821%0.212SC..Hα-helixtrans-69-45179.2-78.9-77.2000111.7D77 V78 I79 W83 S84 F90D77-N81 PolarHBondContact O-N 2.68Å; D77-N81 VanDerWaalsContact O-N 3.1Å; D77-N81 PolarHBondContact O-ND2 2.93Å; V78-N81 PolarHBondContact O-N 2.92Å; I79-N81 VanDerWaalsContact C-N 3.32Å; I79-N81 PolarHBondContact O-N 3.34Å; N81-W83 VanDerWaalsContact C-N 3.28Å; N81-W83 PolarHBondContact O-N 2.92Å; N81-S84 WeakPolarHBondContact O-CB 3.4Å; N81-S84 PolarHBondContact O-N 3.45Å; N81-S84 PolarHBondContact O-OG 2.95Å; N81-F90 HydrophobicContact CB-CB 4.41Å; N81-F90 HydrophobicContact CB-CD1 4.16Å; N81-F90 HydrophobicContact CB-CD2 3.51Å; N81-F90 HydrophobicContact CB-CE1 4.3Å; N81-F90 HydrophobicContact CB-CE2 3.69Å; N81-F90 HydrophobicContact CB-CG 3.76Å; N81-F90 HydrophobicContact CB-CZ 4.08Å; N81-F90 WeakPolarHBondContact ND2-CE2 3.09Å
82L91.1Very high91.2Very high2 Ų238.2 Ų38.21%0.0121%0.213CC..Hα-helixtrans-60.2-37.1177.7-69.7179.7000112.7G20 C22 L24 S41 V78 I79G20-L82 WeakPolarHBondContact CA-O 3.22Å; G20-L82 PolarHBondContact N-O 3.39Å; G20-L82 VanDerWaalsContact N-O 3.1Å; C22-L82 HydrophobicContact CB-CB 4.39Å; C22-L82 HydrophobicContact CB-CD2 3.68Å; C22-L82 WeakPolarHBondContact CB-O 3.16Å; C22-L82 WeakPolarHBondContact O-CD2 3.03Å; L24-L82 HydrophobicContact CD2-CD2 3.9Å; L24-L82 HydrophobicContact CG-CD2 4.13Å; S41-L82 WeakPolarHBondContact OG-CD1 3.33Å; V78-L82 HydrophobicContact CG1-CD1 3.75Å; V78-L82 HydrophobicContact CG1-CG 4.1Å; V78-L82 WeakPolarHBondContact O-CG 3.43Å; V78-L82 PolarHBondContact O-N 2.94Å; I79-L82 PolarHBondContact O-N 3.32Å
83W92.6Very high90.8Very high43 Ų4341.3 Ų41.316%0.16323%0.232CC..THydrogen-bonded Turntrans-99.85.9-177.9-69.785.2000114.2R19 S41 T47 L51 I79 N81 G85R19-W83 HydrophobicContact CB-CE3 3.91Å; R19-W83 WeakPolarHBondContact CD-O 3.49Å; R19-W83 VanDerWaalsContact CG-O 3.26Å; R19-W83 WeakPolarHBondContact CG-O 3.26Å; S41-W83 WeakPolarHBondContact O-CZ2 3.34Å; S41-W83 PolarHBondContact O-NE1 3.46Å; S41-W83 PolarHBondContact OG-NE1 2.89Å; T47-W83 HydrophobicContact CG2-CD2 3.96Å; T47-W83 HydrophobicContact CG2-CG 4.08Å; T47-W83 HydrophobicContact CG2-CZ2 4.14Å; L51-W83 HydrophobicContact CD1-CB 3.87Å; L51-W83 HydrophobicContact CD1-CG 4.1Å; L51-W83 HydrophobicContact CD2-CB 4.12Å; I79-W83 WeakPolarHBondContact O-CB 3.29Å; I79-W83 PolarHBondContact O-N 3.33Å; N81-W83 VanDerWaalsContact C-N 3.28Å; N81-W83 PolarHBondContact O-N 2.92Å; W83-G85 VanDerWaalsContact C-N 3.33Å; W83-G85 PolarHBondContact O-N 3.03Å
84S89.9Confident90.4Very high39 Ų3944.9 Ų44.927%0.27324%0.242SC..SBendtrans-68.5-30.817867.70000113.2R80 N81 K86R80-S84 WeakPolarHBondContact O-CA 3.32Å; R80-S84 VanDerWaalsContact O-CB 3.28Å; R80-S84 WeakPolarHBondContact O-CB 3.1Å; R80-S84 PolarHBondContact O-N 3.27Å; N81-S84 WeakPolarHBondContact O-CB 3.4Å; N81-S84 PolarHBondContact O-N 3.45Å; N81-S84 PolarHBondContact O-OG 2.95Å; S84-K86 PolarHBondContact O-N 3.05Å; S84-K86 PolarHBondContact OG-N 2.98Å; S84-K86 VanDerWaalsContact OG-N 3.15Å
85G85.8Confident90Very high9 Ų944.6 Ų44.69%0.09324%0.239CC..SBendtrans72.83.5-170.100000114.5S17 W83S17-G85 PolarHBondContact N-O 3.31Å; S17-G85 WeakPolarHBondContact O-CA 3.09Å; W83-G85 VanDerWaalsContact C-N 3.33Å; W83-G85 PolarHBondContact O-N 3.03Å
86K85.6Confident89.5Confident160 Ų16048.2 Ų48.270%0.69626%0.255SS*.SBendtrans-87.7-24.1-173.8-63.9-177.9178.7-176.50114.2L14 S84L14-K86 WeakPolarHBondContact CD2-O 3.46Å; S84-K86 PolarHBondContact O-N 3.05Å; S84-K86 PolarHBondContact OG-N 2.98Å; S84-K86 VanDerWaalsContact OG-N 3.15Å
87A83.1Confident89Confident43 Ų4357.6 Ų57.636%0.35529%0.291SS..  trans-135.1145.9-175.900000111C22C22-A87 PolarHBondContact SG-O 3.44Å
88A84.7Confident88.4Confident61 Ų6157.8 Ų57.850%0.50429%0.291SS..SBendtrans-79-21.3173.900000112.6G23G23-A88 PolarHBondContact N-O 3.42Å
89S86.7Confident87.7Confident61 Ų6158.3 Ų58.343%0.42729%0.294SS..EExtended strand (participates in β ladder)trans-146.4154.4177.473.30000111.8G23 N25G23-S89 CarbonylContact O-C 3.48Å; G23-S89 VanDerWaalsContact O-CA 3.25Å; G23-S89 WeakPolarHBondContact O-CA 3.32Å; N25-S89 WeakPolarHBondContact OD1-CB 3.32Å; N25-S89 PolarHBondContact OD1-OG 3.46Å; N25-S89 VanDerWaalsContact OD1-OG 3.06Å
90F89.4Confident86.2Confident38 Ų3867 Ų6717%0.16733%0.332CS..EExtended strand (participates in β ladder)trans-134.8144.1179.1177.9-107.1000111.2G23 L24 N25 V78 N81 P92G23-F90 PolarHBondContact O-N 3.12Å; L24-F90 WeakPolarHBondContact CA-O 2.99Å; L24-F90 HydrophobicContact CD2-CB 4.23Å; L24-F90 HydrophobicContact CD2-CD1 3.87Å; N25-F90 PolarHBondContact N-O 3Å; N25-F90 PolarHBondContact OD1-O 3.31Å; V78-F90 HydrophobicContact CG2-CE1 4.16Å; N81-F90 HydrophobicContact CB-CB 4.41Å; N81-F90 HydrophobicContact CB-CD1 4.16Å; N81-F90 HydrophobicContact CB-CD2 3.51Å; N81-F90 HydrophobicContact CB-CE1 4.3Å; N81-F90 HydrophobicContact CB-CE2 3.69Å; N81-F90 HydrophobicContact CB-CG 3.76Å; N81-F90 HydrophobicContact CB-CZ 4.08Å; N81-F90 WeakPolarHBondContact ND2-CE2 3.09Å; F90-P92 HydrophobicContact CD1-CB 4.34Å; F90-P92 HydrophobicContact CE1-CB 4.1Å; F90-P92 WeakPolarHBondContact O-CD 3.24Å
91V90.6Very high84.4Confident61 Ų6169.9 Ų69.937%0.3735%0.35SS..  trans-105.2106.5179.6-173.90000109.1N25 L27 T93N25-V91 HydrophobicContact CB-CG2 3.81Å; L27-V91 HydrophobicContact CD1-CG1 4.02Å; L27-V91 HydrophobicContact CD2-CG1 3.53Å; L27-V91 HydrophobicContact CG-CG1 4.04Å; V91-T93 VanDerWaalsContact C-N 3.25Å; V91-T93 WeakPolarHBondContact CG1-OG1 3.39Å; V91-T93 PolarHBondContact O-N 2.87Å
92P88.4Confident82.8Confident2 Ų268.6 Ų68.61%0.01335%0.345CS..  trans-83.156-172.735.1-37.9000113.1L24 M33 V78 F90 K94 F95 K96L24-P92 HydrophobicContact CD2-CB 4.41Å; L24-P92 HydrophobicContact CD2-CG 4.18Å; M33-P92 HydrophobicContact CE-CB 4.43Å; M33-P92 HydrophobicContact CE-CG 3.58Å; V78-P92 HydrophobicContact CG2-CB 4.14Å; F90-P92 HydrophobicContact CD1-CB 4.34Å; F90-P92 HydrophobicContact CE1-CB 4.1Å; F90-P92 WeakPolarHBondContact O-CD 3.24Å; P92-K94 PolarHBondContact O-N 3.44Å; P92-F95 HydrophobicContact CB-CB 4.2Å; P92-F95 PolarHBondContact O-N 3.41Å; P92-K96 PolarHBondContact O-N 2.93Å
93T87.3Confident81.2Confident65 Ų6571.9 Ų71.940%0.39937%0.365SS..Hα-helixtrans-61.8-43.8-173.4-51.40000113.3V91 F95 K96 R97V91-T93 VanDerWaalsContact C-N 3.25Å; V91-T93 WeakPolarHBondContact CG1-OG1 3.39Å; V91-T93 PolarHBondContact O-N 2.87Å; T93-F95 VanDerWaalsContact C-N 3.34Å; T93-F95 PolarHBondContact O-N 3.42Å; T93-K96 PolarHBondContact O-N 3.35Å; T93-R97 WeakPolarHBondContact O-CG 3.32Å; T93-R97 PolarHBondContact O-N 2.91Å
94K86.5Confident79.8Confident145 Ų14576 Ų7663%0.6339%0.386SS*.Hα-helixtrans-62.5-43.5178.9-68.4-177.7-179.91770111.3P92 R97 I98P92-K94 PolarHBondContact O-N 3.44Å; K94-R97 PolarHBondContact O-N 2.91Å; K94-I98 PolarHBondContact O-N 3.44Å
95F86.9Confident78.7Confident2 Ų275.5 Ų75.51%0.00938%0.381CS..Hα-helixtrans-65.2-42.7179.4-166.4-99.1000112M33 L37 L71 A74 Y75 V78 P92 T93 R97 I98 L99 L113M33-F95 HydrophobicContact CG-CD1 4.13Å; M33-F95 HydrophobicContact CG-CE1 4Å; M33-F95 HydrophobicContact SD-CD1 3.79Å; M33-F95 HydrophobicContact SD-CE1 4.24Å; L37-F95 HydrophobicContact CD1-CD1 3.82Å; L37-F95 HydrophobicContact CD1-CE1 3.73Å; L37-F95 HydrophobicContact CD1-CZ 4.49Å; L37-F95 HydrophobicContact CD2-CD1 4.33Å; L37-F95 HydrophobicContact CD2-CE1 3.61Å; L37-F95 HydrophobicContact CD2-CE2 4.21Å; L37-F95 HydrophobicContact CD2-CZ 3.54Å; L37-F95 HydrophobicContact CG-CD1 4.46Å; L37-F95 HydrophobicContact CG-CE1 3.86Å; L37-F95 HydrophobicContact CG-CZ 4.3Å; L71-F95 HydrophobicContact CD1-CD2 4.25Å; L71-F95 HydrophobicContact CD1-CE2 3.62Å; L71-F95 HydrophobicContact CD1-CZ 4.15Å; A74-F95 HydrophobicContact CB-CB 4.49Å; A74-F95 HydrophobicContact CB-CD2 3.95Å; Y75-F95 HydrophobicContact CD2-CE2 4.08Å; Y75-F95 HydrophobicContact CD2-CZ 4.34Å; V78-F95 HydrophobicContact CG2-CB 4.11Å; V78-F95 HydrophobicContact CG2-CD2 4.34Å; V78-F95 HydrophobicContact CG2-CG 4.25Å; P92-F95 HydrophobicContact CB-CB 4.2Å; P92-F95 PolarHBondContact O-N 3.41Å; T93-F95 VanDerWaalsContact C-N 3.34Å; T93-F95 PolarHBondContact O-N 3.42Å; F95-R97 VanDerWaalsContact C-N 3.28Å; F95-R97 PolarHBondContact O-N 3.38Å; F95-I98 PolarHBondContact O-N 2.89Å; F95-L99 HydrophobicContact CD1-CD1 3.56Å; F95-L99 HydrophobicContact CD1-CG 4.21Å; F95-L99 HydrophobicContact CE1-CD1 3.21Å; F95-L99 HydrophobicContact CE1-CG 4.04Å; F95-L99 HydrophobicContact CZ-CD1 4.04Å; F95-L99 PolarHBondContact O-N 3.26Å; F95-L99 VanDerWaalsContact O-N 3.16Å; F95-L113 HydrophobicContact CE1-CD2 4.1Å; F95-L113 HydrophobicContact CE2-CD2 4.32Å; F95-L113 HydrophobicContact CZ-CD1 4.3Å; F95-L113 HydrophobicContact CZ-CD2 3.42Å; F95-L113 VanDerWaalsContact CZ-CD2 3.42Å
96K85.4Confident77.9Confident76 Ų7675.2 Ų75.233%0.3338%0.378SS..Hα-helixtrans-58.4-38.4175.2-176.5-176179.9-175.10112.5L27 T30 M33 P92 T93 I98 L99 F100L27-K96 HydrophobicContact CB-CD 3.69Å; L27-K96 HydrophobicContact CD1-CB 4.14Å; L27-K96 HydrophobicContact CD1-CD 3.79Å; L27-K96 HydrophobicContact CG-CD 4.4Å; L27-K96 PolarHBondContact O-NZ 3.45Å; T30-K96 HydrophobicContact CG2-CD 3.91Å; T30-K96 HydrophobicContact CG2-CG 4.38Å; M33-K96 HydrophobicContact SD-CB 4.39Å; P92-K96 PolarHBondContact O-N 2.93Å; T93-K96 PolarHBondContact O-N 3.35Å; K96-I98 VanDerWaalsContact C-N 3.33Å; K96-I98 PolarHBondContact O-N 3.03Å; K96-L99 PolarHBondContact O-N 2.93Å; K96-F100 PolarHBondContact O-N 3.38Å
97R85.2Confident77.2Confident197 Ų19769.7 Ų69.774%0.74335%0.354SS*.Hα-helixtrans-63.3-39.6-179.8-73.5177.7177.8-174-1.6112.1T93 K94 F95 F100T93-R97 WeakPolarHBondContact O-CG 3.32Å; T93-R97 PolarHBondContact O-N 2.91Å; K94-R97 PolarHBondContact O-N 2.91Å; F95-R97 VanDerWaalsContact C-N 3.28Å; F95-R97 PolarHBondContact O-N 3.38Å; R97-F100 WeakPolarHBondContact O-CB 3.39Å; R97-F100 PolarHBondContact O-N 2.96Å
98I81.4Confident77Confident37 Ų3771.9 Ų71.919%0.1936%0.357CS..Hα-helixtrans-68.5-38.4177.5-60.9170000110.4M67 E70 L71 A74 K94 F95 K96 F100M67-I98 HydrophobicContact SD-CG2 3.96Å; E70-I98 HydrophobicContact CB-CD1 4.04Å; E70-I98 WeakPolarHBondContact O-CD1 3.26Å; L71-I98 HydrophobicContact CB-CG2 4.31Å; L71-I98 HydrophobicContact CD1-CG2 4.06Å; A74-I98 HydrophobicContact CB-CD1 3.48Å; A74-I98 VanDerWaalsContact CB-CD1 3.48Å; K94-I98 PolarHBondContact O-N 3.44Å; F95-I98 PolarHBondContact O-N 2.89Å; K96-I98 VanDerWaalsContact C-N 3.33Å; K96-I98 PolarHBondContact O-N 3.03Å; I98-F100 PolarHBondContact O-N 2.87Å
99L78.7Confident76.8Confident13 Ų1369 Ų697%0.06833%0.333CS..G310 helixtrans-78.58179.8-67.2-176.6000115.5M33 L71 F95 K96 Q101 C102 L109 F112 L113M33-L99 HydrophobicContact CG-CD1 3.71Å; M33-L99 HydrophobicContact SD-CD1 3.66Å; L71-L99 HydrophobicContact CD1-CD2 4.48Å; F95-L99 HydrophobicContact CD1-CD1 3.56Å; F95-L99 HydrophobicContact CD1-CG 4.21Å; F95-L99 HydrophobicContact CE1-CD1 3.21Å; F95-L99 HydrophobicContact CE1-CG 4.04Å; F95-L99 HydrophobicContact CZ-CD1 4.04Å; F95-L99 PolarHBondContact O-N 3.26Å; F95-L99 VanDerWaalsContact O-N 3.16Å; K96-L99 PolarHBondContact O-N 2.93Å; L99-Q101 PolarHBondContact O-N 2.97Å; L99-C102 PolarHBondContact O-N 3.14Å; L99-L109 HydrophobicContact CD1-CD1 3.78Å; L99-L109 HydrophobicContact CD2-CD1 3.95Å; L99-L109 HydrophobicContact CG-CD1 4.46Å; L99-F112 HydrophobicContact CD2-CD1 3.79Å; L99-F112 HydrophobicContact CD2-CE1 3.36Å; L99-F112 HydrophobicContact CD2-CZ 4.37Å; L99-L113 HydrophobicContact CD1-CD2 4.41Å; L99-L113 HydrophobicContact CD2-CD2 3.91Å
100F63.6Low76.7Confident184 Ų18466.2 Ų66.281%0.80731%0.313SS*.G310 helixtrans-58-18.7-176.2-167.2-95.4000113.4K96 R97 I98K96-F100 PolarHBondContact O-N 3.38Å; R97-F100 WeakPolarHBondContact O-CB 3.39Å; R97-F100 PolarHBondContact O-N 2.96Å; I98-F100 PolarHBondContact O-N 2.87Å
101Q57.4Low76.6Confident177 Ų17766.2 Ų66.283%0.82732%0.32SS*.G310 helixtrans-89.4-4.7179.4-61.7-177.8-6.100114.4L99L99-Q101 PolarHBondContact O-N 2.97Å
102C57.5Low76.4Confident26 Ų2666 Ų6618%0.17631%0.314CS..  trans-92.2143-173-59.30000113.1L99 L109 F112L99-C102 PolarHBondContact O-N 3.14Å; C102-L109 HydrophobicContact CB-CD1 4.24Å; C102-F112 WeakPolarHBondContact SG-CD1 3.32Å; C102-F112 WeakPolarHBondContact SG-CE1 3.47Å; C102-F112 WeakPolarHBondContact SG-CZ 3.16Å
103T57.7Low76.6Confident71 Ų7166 Ų6644%0.43631%0.314SS..  trans-64.2159.1172.254.20000111.9D105 E108T103-D105 PolarHBondContact O-N 3.06Å; T103-E108 WeakPolarHBondContact CB-OE2 3.49Å; T103-E108 WeakPolarHBondContact CG2-OE2 3.24Å; T103-E108 WeakPolarHBondContact OG1-CB 3.45Å; T103-E108 PolarHBondContact OG1-OE2 2.92Å
104Q63.7Low76.8Confident129 Ų12963.3 Ų63.360%0.60330%0.297SS*.SBendtrans-81.88.4-177.7-63.5-161.3-200114.4F32F32-Q104 HydrophobicContact CD1-CB 4.43Å; F32-Q104 HydrophobicContact CE1-CB 4.19Å; F32-Q104 HydrophobicContact CE1-CG 4.05Å; F32-Q104 HydrophobicContact CZ-CG 4.43Å
105D68.1Low77.2Confident29 Ų2960.8 Ų60.816%0.15529%0.291CS..  trans-84.5125176-164-39.8000110.4T103 Q107 E108 L109T103-D105 PolarHBondContact O-N 3.06Å; D105-Q107 PolarHBondContact O-N 3Å; D105-Q107 PolarHBondContact OD1-N 2.82Å; D105-E108 HydrophobicContact CB-CB 4.11Å; D105-E108 HydrophobicContact CB-CG 3.98Å; D105-E108 PolarHBondContact O-N 3.43Å; D105-L109 WeakPolarHBondContact O-CB 3.22Å; D105-L109 PolarHBondContact O-N 3.18Å
106A68.2Low77.4Confident3 Ų360.9 Ų60.93%0.02529%0.292CS..Hα-helixtrans-61.5-29.8-179.500000113F32 M110F32-A106 HydrophobicContact CB-CB 4.12Å; A106-M110 WeakPolarHBondContact O-CB 3.49Å; A106-M110 PolarHBondContact O-N 2.79Å
107Q71.7Confident77.9Confident44 Ų4457.2 Ų57.221%0.20628%0.276CS..Hα-helixtrans-74.3-45.7176170-99.3-44.700111.8D105 L109 M110 A111 H262 V342D105-Q107 PolarHBondContact O-N 3Å; D105-Q107 PolarHBondContact OD1-N 2.82Å; Q107-L109 PolarHBondContact O-N 3.39Å; Q107-M110 PolarHBondContact O-N 2.95Å; Q107-M110 VanDerWaalsContact O-N 3.12Å; Q107-A111 PolarHBondContact O-N 3.11Å; Q107-H262 HydrophobicContact CG-CB 4.15Å; Q107-V342 HydrophobicContact CB-CG2 4.47Å
108E77.1Confident78.5Confident89 Ų8948.2 Ų48.242%0.41624%0.243SC..Hα-helixtrans-60.5-40.7176.9-66.5-174.9168.200110T103 D105 A111 F112T103-E108 WeakPolarHBondContact CB-OE2 3.49Å; T103-E108 WeakPolarHBondContact CG2-OE2 3.24Å; T103-E108 WeakPolarHBondContact OG1-CB 3.45Å; T103-E108 PolarHBondContact OG1-OE2 2.92Å; D105-E108 HydrophobicContact CB-CB 4.11Å; D105-E108 HydrophobicContact CB-CG 3.98Å; D105-E108 PolarHBondContact O-N 3.43Å; E108-A111 PolarHBondContact O-N 3.19Å; E108-F112 VanDerWaalsContact O-CB 3.22Å; E108-F112 WeakPolarHBondContact O-CB 3.35Å; E108-F112 PolarHBondContact O-N 2.87Å
109L81.6Confident79.1Confident0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-62-45.4172.4-177.768.9000112.2F32 M33 A36 L99 C102 D105 Q107 A111 F112 L113F32-L109 HydrophobicContact CD2-CB 4.04Å; F32-L109 HydrophobicContact CD2-CD2 3.48Å; F32-L109 VanDerWaalsContact CD2-CD2 3.48Å; F32-L109 HydrophobicContact CD2-CG 4.3Å; F32-L109 HydrophobicContact CE2-CB 4.23Å; F32-L109 HydrophobicContact CE2-CD1 4.43Å; F32-L109 HydrophobicContact CE2-CD2 3.68Å; F32-L109 HydrophobicContact CE2-CG 4.32Å; M33-L109 HydrophobicContact CB-CD2 3.78Å; M33-L109 HydrophobicContact CG-CD2 4.18Å; A36-L109 HydrophobicContact CB-CD2 3.96Å; L99-L109 HydrophobicContact CD1-CD1 3.78Å; L99-L109 HydrophobicContact CD2-CD1 3.95Å; L99-L109 HydrophobicContact CG-CD1 4.46Å; C102-L109 HydrophobicContact CB-CD1 4.24Å; D105-L109 WeakPolarHBondContact O-CB 3.22Å; D105-L109 PolarHBondContact O-N 3.18Å; Q107-L109 PolarHBondContact O-N 3.39Å; L109-A111 VanDerWaalsContact C-N 3.33Å; L109-A111 PolarHBondContact O-N 2.79Å; L109-F112 PolarHBondContact O-N 2.83Å; L109-L113 HydrophobicContact CD1-CD1 4.28Å; L109-L113 HydrophobicContact CD1-CD2 4.33Å; L109-L113 HydrophobicContact CD1-CG 3.98Å; L109-L113 HydrophobicContact CD2-CD1 4.26Å; L109-L113 HydrophobicContact CG-CD1 3.96Å; L109-L113 HydrophobicContact CG-CG 4.06Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 VanDerWaalsContact O-CG 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.17Å; L109-L113 PolarHBondContact O-N 3.4Å
110M84.9Confident80Confident3 Ų346.4 Ų46.42%0.01523%0.233CC..Hα-helixtrans-61.1-44.2179.7-175.363.768.700111.5A36 C39 L40 A106 Q107 L113 L114 V260 V342 L344A36-M110 HydrophobicContact CB-CE 3.8Å; C39-M110 HydrophobicContact CB-CE 4.19Å; L40-M110 HydrophobicContact CD1-SD 3.86Å; L40-M110 HydrophobicContact CD2-SD 3.78Å; L40-M110 HydrophobicContact CG-CE 4.17Å; L40-M110 HydrophobicContact CG-SD 3.78Å; A106-M110 WeakPolarHBondContact O-CB 3.49Å; A106-M110 PolarHBondContact O-N 2.79Å; Q107-M110 PolarHBondContact O-N 2.95Å; Q107-M110 VanDerWaalsContact O-N 3.12Å; M110-L113 PolarHBondContact O-N 3.01Å; M110-L114 HydrophobicContact CG-CD1 4.3Å; M110-L114 WeakPolarHBondContact O-CG 3.23Å; M110-L114 PolarHBondContact O-N 3.06Å; M110-V260 HydrophobicContact CG-CG1 4.3Å; M110-V342 HydrophobicContact CE-CG1 4.37Å; M110-V342 HydrophobicContact CG-CG1 4.3Å; M110-L344 HydrophobicContact CE-CD1 4.38Å
111A86Confident81.5Confident37 Ų3737.7 Ų37.731%0.30620%0.195SC..Hα-helixtrans-62.1-46.7176.400000111.1Q107 E108 L109 L113 L114 D115Q107-A111 PolarHBondContact O-N 3.11Å; E108-A111 PolarHBondContact O-N 3.19Å; L109-A111 VanDerWaalsContact C-N 3.33Å; L109-A111 PolarHBondContact O-N 2.79Å; A111-L113 PolarHBondContact O-N 3.07Å; A111-L114 PolarHBondContact O-N 2.77Å; A111-D115 WeakPolarHBondContact O-CB 3.45Å; A111-D115 PolarHBondContact O-N 3.17Å
112F88Confident83.4Confident57 Ų5729.2 Ų29.225%0.2516%0.155CC..Hα-helixtrans-59.7-42.3176.1177.2-86.2000112.6M67 L99 C102 E108 L109 D115 G116M67-F112 HydrophobicContact CE-CE1 3.73Å; M67-F112 HydrophobicContact CE-CE2 3.71Å; M67-F112 HydrophobicContact CE-CZ 3.12Å; M67-F112 HydrophobicContact SD-CZ 4.22Å; L99-F112 HydrophobicContact CD2-CD1 3.79Å; L99-F112 HydrophobicContact CD2-CE1 3.36Å; L99-F112 HydrophobicContact CD2-CZ 4.37Å; C102-F112 WeakPolarHBondContact SG-CD1 3.32Å; C102-F112 WeakPolarHBondContact SG-CE1 3.47Å; C102-F112 WeakPolarHBondContact SG-CZ 3.16Å; E108-F112 VanDerWaalsContact O-CB 3.22Å; E108-F112 WeakPolarHBondContact O-CB 3.35Å; E108-F112 PolarHBondContact O-N 2.87Å; L109-F112 PolarHBondContact O-N 2.83Å; F112-D115 PolarHBondContact O-N 3.31Å; F112-G116 PolarHBondContact O-N 3.18Å
113L91Very high85.2Confident1 Ų131.6 Ų31.61%0.00516%0.161CC..Hα-helixtrans-66.6-42.9179.3-74-178.8000111.8A36 L40 L71 F95 L99 L109 M110 A111 L117A36-L113 HydrophobicContact CB-CD1 4.13Å; L40-L113 HydrophobicContact CD1-CB 4.3Å; L40-L113 HydrophobicContact CD1-CD1 4.19Å; L71-L113 HydrophobicContact CD1-CD2 4.28Å; F95-L113 HydrophobicContact CE1-CD2 4.1Å; F95-L113 HydrophobicContact CE2-CD2 4.32Å; F95-L113 HydrophobicContact CZ-CD1 4.3Å; F95-L113 HydrophobicContact CZ-CD2 3.42Å; F95-L113 VanDerWaalsContact CZ-CD2 3.42Å; L99-L113 HydrophobicContact CD1-CD2 4.41Å; L99-L113 HydrophobicContact CD2-CD2 3.91Å; L109-L113 HydrophobicContact CD1-CD1 4.28Å; L109-L113 HydrophobicContact CD1-CD2 4.33Å; L109-L113 HydrophobicContact CD1-CG 3.98Å; L109-L113 HydrophobicContact CD2-CD1 4.26Å; L109-L113 HydrophobicContact CG-CD1 3.96Å; L109-L113 HydrophobicContact CG-CG 4.06Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 VanDerWaalsContact O-CG 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.17Å; L109-L113 PolarHBondContact O-N 3.4Å; M110-L113 PolarHBondContact O-N 3.01Å; A111-L113 PolarHBondContact O-N 3.07Å; L113-L117 WeakPolarHBondContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.23Å; L113-L117 PolarHBondContact O-N 2.76Å
114L93.3Very high86.9Confident9 Ų930.1 Ų30.15%0.04715%0.15CC..Hα-helixtrans-65.1-43.4176.7-68.9173.9000111L40 M110 A111 H118 I159 F163 V188 V260L40-L114 HydrophobicContact CD2-CD2 4.01Å; M110-L114 HydrophobicContact CG-CD1 4.3Å; M110-L114 WeakPolarHBondContact O-CG 3.23Å; M110-L114 PolarHBondContact O-N 3.06Å; A111-L114 PolarHBondContact O-N 2.77Å; L114-H118 WeakPolarHBondContact O-CB 3.22Å; L114-H118 PolarHBondContact O-N 2.78Å; L114-I159 HydrophobicContact CB-CG2 4.28Å; L114-I159 HydrophobicContact CD2-CD1 4.48Å; L114-I159 HydrophobicContact CD2-CG2 4.2Å; L114-F163 HydrophobicContact CD1-CD1 4.41Å; L114-F163 HydrophobicContact CD2-CD1 4.03Å; L114-F163 HydrophobicContact CD2-CD2 3.93Å; L114-F163 HydrophobicContact CD2-CE1 4.07Å; L114-F163 HydrophobicContact CD2-CE2 3.99Å; L114-F163 HydrophobicContact CD2-CG 3.95Å; L114-F163 HydrophobicContact CD2-CZ 4.06Å; L114-V188 HydrophobicContact CD1-CG2 3.79Å; L114-V260 HydrophobicContact CD1-CG2 4.29Å
115D93Very high88.1Confident93 Ų9328.7 Ų28.750%0.49714%0.141SC..Hα-helixtrans-66.9-49.6178.6-169.365.5000112.2A111 F112 L117 H118 E119A111-D115 WeakPolarHBondContact O-CB 3.45Å; A111-D115 PolarHBondContact O-N 3.17Å; F112-D115 PolarHBondContact O-N 3.31Å; D115-L117 PolarHBondContact O-N 3.31Å; D115-H118 WeakPolarHBondContact O-CA 3.07Å; D115-H118 VanDerWaalsContact O-CB 3.29Å; D115-H118 WeakPolarHBondContact O-CB 3.45Å; D115-H118 PolarHBondContact O-N 3.48Å; D115-H118 VanDerWaalsContact O-N 3.07Å; D115-E119 WeakPolarHBondContact O-CG 3.42Å; D115-E119 PolarHBondContact O-N 2.99Å
116G92.9Very high89Confident3 Ų338.2 Ų38.23%0.03118%0.175CC..Hα-helixtrans-62.1-42.6177.800000112.7F112 H118 E119 D120F112-G116 PolarHBondContact O-N 3.18Å; G116-H118 VanDerWaalsContact C-N 3.31Å; G116-E119 PolarHBondContact O-N 3.2Å; G116-D120 WeakPolarHBondContact O-CB 3.33Å; G116-D120 PolarHBondContact O-N 3.3Å
117L95.5Very high90Very high0 Ų040 Ų400%018%0.182CC..Hα-helixtrans-67-34.2173.7-71.3174.8000111.9F50 L71 A72 Y75 L113 D115 L121 I159F50-L117 HydrophobicContact CZ-CD2 4.26Å; L71-L117 HydrophobicContact CD2-CG 4.44Å; L71-L117 HydrophobicContact CG-CD2 4.2Å; A72-L117 HydrophobicContact CB-CD2 4.32Å; Y75-L117 HydrophobicContact CD1-CD1 4.2Å; Y75-L117 HydrophobicContact CD1-CD2 4.33Å; Y75-L117 HydrophobicContact CD2-CD1 4.21Å; Y75-L117 HydrophobicContact CE1-CD1 4.37Å; Y75-L117 HydrophobicContact CE2-CD1 4.38Å; Y75-L117 HydrophobicContact CG-CD1 4.11Å; Y75-L117 HydrophobicContact CG-CD2 4.08Å; L113-L117 WeakPolarHBondContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.23Å; L113-L117 PolarHBondContact O-N 2.76Å; D115-L117 PolarHBondContact O-N 3.31Å; L117-L121 VanDerWaalsContact O-CB 3.26Å; L117-L121 WeakPolarHBondContact O-CB 3.45Å; L117-L121 WeakPolarHBondContact O-CG 3.24Å; L117-L121 PolarHBondContact O-N 3.23Å; L117-L121 VanDerWaalsContact O-N 3.12Å; L117-I159 HydrophobicContact CB-CD1 4.02Å; L117-I159 HydrophobicContact CB-CG1 3.93Å; L117-I159 HydrophobicContact CD1-CD1 4.44Å
118H96.6Very high90.9Very high8 Ų840.3 Ų40.34%0.03719%0.188CC..Hα-helixtrans-61.7-50.7174.5166.551000110.3L114 D115 G116 L121 N122 N155 S157 I159L114-H118 WeakPolarHBondContact O-CB 3.22Å; L114-H118 PolarHBondContact O-N 2.78Å; D115-H118 WeakPolarHBondContact O-CA 3.07Å; D115-H118 VanDerWaalsContact O-CB 3.29Å; D115-H118 WeakPolarHBondContact O-CB 3.45Å; D115-H118 PolarHBondContact O-N 3.48Å; D115-H118 VanDerWaalsContact O-N 3.07Å; G116-H118 VanDerWaalsContact C-N 3.31Å; H118-L121 CarbonylContact O-C 3.56Å; H118-L121 VanDerWaalsContact O-C 3.32Å; H118-L121 PolarHBondContact O-N 3.16Å; H118-N122 WeakPolarHBondContact O-CA 3.35Å; H118-N122 WeakPolarHBondContact O-CB 3.35Å; H118-N122 PolarHBondContact O-N 2.74Å; H118-N155 WeakPolarHBondContact NE2-CB 3.41Å; H118-N155 PolarHBondContact NE2-OD1 3.37Å; H118-S157 WeakPolarHBondContact ND1-CB 3.27Å; H118-S157 PolarHBondContact ND1-OG 3.07Å; H118-I159 HydrophobicContact CB-CB 3.96Å; H118-I159 HydrophobicContact CB-CG1 4.27Å; H118-I159 HydrophobicContact CB-CG2 4.11Å
119E95.5Very high91.3Very high12 Ų1245.6 Ų45.66%0.05621%0.206CC..Hα-helixtrans-70-38.1-175.5-64.6-64.6-178.800112.5N63 L65 D115 G116 L121 N122 K127N63-E119 PolarHBondContact ND2-O 3.02Å; N63-E119 PolarHBondContact ND2-OE2 3.48Å; L65-E119 HydrophobicContact CB-CB 4.47Å; L65-E119 HydrophobicContact CB-CG 4.03Å; L65-E119 WeakPolarHBondContact O-CB 3.07Å; D115-E119 WeakPolarHBondContact O-CG 3.42Å; D115-E119 PolarHBondContact O-N 2.99Å; G116-E119 PolarHBondContact O-N 3.2Å; E119-L121 VanDerWaalsContact C-N 3.27Å; E119-L121 PolarHBondContact O-N 2.7Å; E119-N122 PolarHBondContact O-N 2.71Å; E119-K127 IonicContact OE1-NZ 3.46Å; E119-K127 PolarHBondContact OE1-NZ 3.12Å; E119-K127 WeakPolarHBondContact OE2-CE 3.4Å; E119-K127 IonicContact OE2-NZ 3.47Å; E119-K127 PolarHBondContact OE2-NZ 3.49Å
120D96.1Very high91.3Very high0 Ų047.5 Ų47.50%022%0.217CC..Hα-helixtrans-66.2-26.1173-91.52.4000113.2I59 N60 M67 G69 E70 L71 A72 G116I59-D120 CarbonylContact C-O 3.56Å; I59-D120 WeakPolarHBondContact CA-O 3.45Å; N60-D120 PolarHBondContact N-O 3.36Å; M67-D120 WeakPolarHBondContact CA-OD1 3Å; M67-D120 PolarHBondContact N-OD1 3.28Å; G69-D120 VanDerWaalsContact CA-OD2 3.23Å; G69-D120 WeakPolarHBondContact CA-OD2 3.47Å; G69-D120 PolarHBondContact N-OD1 3.4Å; E70-D120 PolarHBondContact N-OD2 3.29Å; L71-D120 WeakPolarHBondContact CA-OD2 3.23Å; L71-D120 WeakPolarHBondContact CB-OD2 3.19Å; L71-D120 PolarHBondContact N-OD2 2.8Å; A72-D120 HydrophobicContact CB-CB 3.85Å; A72-D120 PolarHBondContact N-OD2 3.29Å; G116-D120 WeakPolarHBondContact O-CB 3.33Å; G116-D120 PolarHBondContact O-N 3.3Å
121L97Very high90.9Very high0 Ų053 Ų530%024%0.243CC..THydrogen-bonded Turntrans-113.319.5-179.4-60171.8000112.4Y49 F50 I59 A72 L117 H118 E119 R123 S157 I158Y49-L121 HydrophobicContact CE1-CD1 3.97Å; F50-L121 HydrophobicContact CE1-CD1 4.16Å; F50-L121 HydrophobicContact CZ-CD1 3.7Å; I59-L121 HydrophobicContact CG1-CD2 4.04Å; A72-L121 HydrophobicContact CB-CD1 4.41Å; A72-L121 HydrophobicContact CB-CD2 3.93Å; A72-L121 HydrophobicContact CB-CG 4.03Å; L117-L121 VanDerWaalsContact O-CB 3.26Å; L117-L121 WeakPolarHBondContact O-CB 3.45Å; L117-L121 WeakPolarHBondContact O-CG 3.24Å; L117-L121 PolarHBondContact O-N 3.23Å; L117-L121 VanDerWaalsContact O-N 3.12Å; H118-L121 CarbonylContact O-C 3.56Å; H118-L121 VanDerWaalsContact O-C 3.32Å; H118-L121 PolarHBondContact O-N 3.16Å; E119-L121 VanDerWaalsContact C-N 3.27Å; E119-L121 PolarHBondContact O-N 2.7Å; L121-R123 PolarHBondContact O-N 2.88Å; L121-S157 WeakPolarHBondContact O-CB 3.39Å; L121-I158 HydrophobicContact CD1-CG2 3.87Å
122N96.8Very high90.1Very high0 Ų055.7 Ų55.70%027%0.265CS..  trans-74.6114.3179.3-163.7-15.6000108.9N60 H118 E119 I124 K127 R154 D156N60-N122 WeakPolarHBondContact CB-O 3.21Å; N60-N122 PolarHBondContact ND2-O 3.36Å; H118-N122 WeakPolarHBondContact O-CA 3.35Å; H118-N122 WeakPolarHBondContact O-CB 3.35Å; H118-N122 PolarHBondContact O-N 2.74Å; E119-N122 PolarHBondContact O-N 2.71Å; N122-I124 PolarHBondContact O-N 3.46Å; N122-I124 WeakPolarHBondContact OD1-CB 3.43Å; N122-I124 PolarHBondContact OD1-N 2.88Å; N122-I124 VanDerWaalsContact OD1-N 3.14Å; N122-K127 VanDerWaalsContact ND2-CE 3.31Å; N122-K127 WeakPolarHBondContact ND2-CE 3.31Å; N122-K127 PolarHBondContact ND2-NZ 2.68Å; N122-R154 PolarHBondContact ND2-O 3Å; N122-D156 CarbonylContact C-O 3.32Å; N122-D156 WeakPolarHBondContact CA-O 3.48Å; N122-D156 PolarHBondContact OD1-N 3.43Å; N122-D156 VanDerWaalsContact OD1-N 3.09Å; N122-D156 PolarHBondContact OD1-O 2.87Å
123R95.4Very high89Confident76 Ų7660.2 Ų60.229%0.28729%0.285SS..SBendtrans-61.4-26.4177.2-61.2167.3-175.4137.65.1111.3E58 L121 K125 D156 D161E58-R123 IonicContact OE1-CZ 2.74Å; E58-R123 IonicContact OE1-NE 2.74Å; E58-R123 PolarHBondContact OE1-NE 3.21Å; E58-R123 IonicContact OE1-NH2 3.23Å; E58-R123 PolarHBondContact OE1-NH2 3.01Å; E58-R123 IonicContact OE2-NE 3.73Å; E58-R123 IonicContact OE2-NH2 3.17Å; L121-R123 PolarHBondContact O-N 2.88Å; R123-K125 PolarHBondContact O-N 3.27Å; R123-D156 HydrophobicContact CB-CB 4.35Å; R123-D156 WeakPolarHBondContact CB-O 3.44Å; R123-D156 WeakPolarHBondContact CD-OD2 3.31Å; R123-D156 WeakPolarHBondContact CG-O 3.35Å; R123-D156 IonicContact CZ-OD1 3.83Å; R123-D156 PolarHBondContact N-O 3.06Å; R123-D156 IonicContact NH1-OD1 3.74Å; R123-D156 PolarHBondContact NH1-OD1 2.81Å; R123-D156 IonicContact NH1-OD2 2.84Å; R123-D161 IonicContact CZ-OD2 2.71Å; R123-D161 IonicContact NH1-OD1 3.92Å; R123-D161 IonicContact NH1-OD2 2.69Å; R123-D161 PolarHBondContact NH1-OD2 3.05Å; R123-D161 IonicContact NH2-OD2 2.78Å; R123-D161 PolarHBondContact NH2-OD2 3.46Å; R123-D161 VanDerWaalsContact NH2-OD2 3.17Å
124I93.1Very high87.9Confident40 Ų4064.6 Ų64.621%0.20531%0.305CS..  trans-78.2106.4175.7-50.2-55.4000109.9N60 N122 K127 D156N60-I124 PolarHBondContact ND2-O 2.87Å; N122-I124 PolarHBondContact O-N 3.46Å; N122-I124 WeakPolarHBondContact OD1-CB 3.43Å; N122-I124 PolarHBondContact OD1-N 2.88Å; N122-I124 VanDerWaalsContact OD1-N 3.14Å; I124-K127 HydrophobicContact CG2-CG 4.4Å; I124-D156 HydrophobicContact CD1-CB 4.16Å; I124-D156 HydrophobicContact CG1-CB 3.98Å
125K87.7Confident86.6Confident99 Ų9967.3 Ų67.343%0.4332%0.318SS..SBendtrans-73.5-37.3179.4-55.9-55.4-175.8-173.70113.2I59 N60 V62 R123I59-K125 PolarHBondContact O-NZ 3.05Å; N60-K125 HydrophobicContact CB-CD 4.35Å; N60-K125 WeakPolarHBondContact OD1-CD 3.47Å; V62-K125 HydrophobicContact CG2-CB 4.32Å; V62-K125 HydrophobicContact CG2-CD 4.26Å; R123-K125 PolarHBondContact O-N 3.27Å
126R87.2Confident85.4Confident229 Ų22969 Ų6986%0.86432%0.323SS*.SBendtrans-126.3107178-175.5179.1178.2-172.6-0.2109.6P128R126-P128 WeakPolarHBondContact O-CD 3.46Å
127K90.1Very high84.5Confident39 Ų3977 Ų7717%0.1737%0.365CS..  trans-69.9115.5-178.7-58.8-169.6-177-162.60110L65 E119 N122 I124 R154 N155L65-K127 HydrophobicContact CD1-CD 4.25Å; E119-K127 IonicContact OE1-NZ 3.46Å; E119-K127 PolarHBondContact OE1-NZ 3.12Å; E119-K127 WeakPolarHBondContact OE2-CE 3.4Å; E119-K127 IonicContact OE2-NZ 3.47Å; E119-K127 PolarHBondContact OE2-NZ 3.49Å; N122-K127 VanDerWaalsContact ND2-CE 3.31Å; N122-K127 WeakPolarHBondContact ND2-CE 3.31Å; N122-K127 PolarHBondContact ND2-NZ 2.68Å; I124-K127 HydrophobicContact CG2-CG 4.4Å; K127-R154 HydrophobicContact CB-CB 4.43Å; K127-R154 HydrophobicContact CB-CG 4.33Å; K127-R154 HydrophobicContact CD-CB 4.42Å; K127-R154 WeakPolarHBondContact CE-O 3.44Å; K127-N155 PolarHBondContact NZ-OD1 3.15Å
128P90.2Very high83.9Confident51 Ų5180.3 Ų80.333%0.33138%0.381SS..  trans-67.4144.5177.728.2-34.5000110.4R126 V130 M153 R154R126-P128 WeakPolarHBondContact O-CD 3.46Å; P128-V130 HydrophobicContact CG-CG2 4.32Å; P128-V130 PolarHBondContact O-N 2.8Å; P128-M153 WeakPolarHBondContact CD-O 3.29Å; P128-M153 HydrophobicContact CG-CB 4.49Å; P128-M153 HydrophobicContact CG-CE 4.42Å; P128-R154 HydrophobicContact CG-CG 4.36Å; P128-R154 PolarHBondContact O-NH1 3.16Å
129Y85.8Confident83.6Confident200 Ų20082.2 Ų82.278%0.78440%0.398SS*.  trans-66.4125169.7-177.8-96.6000108.8E131Y129-E131 HydrophobicContact CE1-CB 4.1Å
130V81.3Confident83.5Confident40 Ų4083.6 Ų83.624%0.24241%0.406CS..  trans-127.9115.9178.2-177.10000107.1P128 Y150 R154P128-V130 HydrophobicContact CG-CG2 4.32Å; P128-V130 PolarHBondContact O-N 2.8Å; V130-Y150 HydrophobicContact CG1-CD1 3.63Å; V130-Y150 HydrophobicContact CG1-CD2 4.33Å; V130-Y150 HydrophobicContact CG1-CE1 4.27Å; V130-Y150 HydrophobicContact CG1-CG 3.68Å; V130-R154 HydrophobicContact CG2-CG 4.4Å
131E76.4Confident83.3Confident120 Ų12086.9 Ų86.956%0.56142%0.421SS*.  trans-80.3122174.7-170.7178-158.300109.1Y129 K133Y129-E131 HydrophobicContact CE1-CB 4.1Å; E131-K133 PolarHBondContact O-N 3.39Å
132A68.5Low83Confident93 Ų9390.9 Ų90.977%0.76944%0.441SS*.  trans-72.596.1172.100000108.6E134A132-E134 PolarHBondContact O-N 3.44Å
133K66.5Low82.8Confident152 Ų15292 Ų9266%0.66145%0.447SS*.  trans-74.6116172.3-65-173.5179-177.60108.7E131 M135E131-K133 PolarHBondContact O-N 3.39Å; K133-M135 HydrophobicContact CB-CG 4.25Å; K133-M135 PolarHBondContact O-N 3.42Å; K133-M135 VanDerWaalsContact O-N 3.09Å
134E66.9Low82.7Confident92 Ų9288.4 Ų88.443%0.4343%0.434SS..  trans-64.8107.6164.4-68.2-168.5165.400106.9A132 R235A132-E134 PolarHBondContact O-N 3.44Å; E134-R235 IonicContact OE1-NH2 2.95Å; E134-R235 PolarHBondContact OE1-NH2 3Å
135M66.3Low82.7Confident67 Ų6793.4 Ų93.433%0.3346%0.457SS..  trans-96.1112.7177-59.1-149.1-73.900108.8K133 E138 L143K133-M135 HydrophobicContact CB-CG 4.25Å; K133-M135 PolarHBondContact O-N 3.42Å; K133-M135 VanDerWaalsContact O-N 3.09Å; M135-E138 HydrophobicContact CB-CG 4.06Å; M135-E138 WeakPolarHBondContact CE-OE1 3.14Å; M135-E138 WeakPolarHBondContact CE-OE2 3.18Å; M135-E138 VanDerWaalsContact SD-OE1 3.34Å; M135-L143 HydrophobicContact CB-CD2 3.92Å
136E68.6Low82.9Confident127 Ų12789.9 Ų89.959%0.59344%0.443SS*.THydrogen-bonded Turntrans-77136.4178-63.1-173.6169.800109.6E138 K178E136-E138 PolarHBondContact O-N 2.98Å; E136-K178 WeakPolarHBondContact OE1-CE 3.36Å; E136-K178 IonicContact OE1-NZ 2.67Å; E136-K178 PolarHBondContact OE1-NZ 3.41Å
137N73.6Confident83.1Confident171 Ų17180.2 Ų80.291%0.91441%0.412SS*.THydrogen-bonded Turntrans70.315.9173.9-47.9-45.3000117.6
138E83.1Confident83.3Confident70 Ų7082.1 Ų82.133%0.32742%0.418SS..  trans-80.9154.4168.6-69.3-160.2176.500112.7M135 E136 I142 L143M135-E138 HydrophobicContact CB-CG 4.06Å; M135-E138 WeakPolarHBondContact CE-OE1 3.14Å; M135-E138 WeakPolarHBondContact CE-OE2 3.18Å; M135-E138 VanDerWaalsContact SD-OE1 3.34Å; E136-E138 PolarHBondContact O-N 2.98Å; E138-I142 VanDerWaalsContact OE2-CG2 3.23Å; E138-I142 WeakPolarHBondContact OE2-CG2 3.19Å; E138-L143 HydrophobicContact CB-CD1 4.29Å; E138-L143 HydrophobicContact CB-CD2 3.83Å; E138-L143 HydrophobicContact CB-CG 3.78Å; E138-L143 HydrophobicContact CG-CD2 4.49Å
139A90.4Very high83.5Confident48 Ų4885.9 Ų85.940%0.39743%0.425SS..  trans-64.4142.3172.400000110.9E141 I142 L143A139-E141 PolarHBondContact O-N 3.46Å; A139-E141 VanDerWaalsContact O-N 3.14Å; A139-I142 HydrophobicContact CB-CD1 4.35Å; A139-I142 HydrophobicContact CB-CG1 4.42Å; A139-I142 PolarHBondContact O-N 2.78Å; A139-L143 PolarHBondContact O-N 2.93Å; A139-L143 VanDerWaalsContact O-N 3.13Å
140D91.6Very high83.8Confident42 Ų4280.2 Ų80.223%0.22540%0.403CS..Hα-helixtrans-53.3-37.2-179.5-79.8-19.6000112.3I142 L143 A144 K168 F183 W253D140-I142 PolarHBondContact O-N 3.07Å; D140-L143 PolarHBondContact O-N 2.88Å; D140-A144 WeakPolarHBondContact O-CB 3.47Å; D140-A144 PolarHBondContact O-N 2.78Å; D140-K168 VanDerWaalsContact OD1-CE 3.29Å; D140-K168 WeakPolarHBondContact OD1-CE 3.47Å; D140-K168 IonicContact OD1-NZ 2.93Å; D140-K168 PolarHBondContact OD1-NZ 3.28Å; D140-K168 IonicContact OD2-NZ 2.61Å; D140-K168 PolarHBondContact OD2-NZ 2.78Å; D140-F183 HydrophobicContact CB-CZ 4.04Å; D140-F183 WeakPolarHBondContact O-CZ 3.5Å; D140-W253 HydrophobicContact CB-CH2 3.63Å; D140-W253 HydrophobicContact CB-CZ3 3.68Å
141E92.4Very high84.4Confident68 Ų6880.3 Ų80.332%0.31840%0.399SS..Hα-helixtrans-61.2-43.7178.8-66.277.8-172.900112.7A139 E145 W253A139-E141 PolarHBondContact O-N 3.46Å; A139-E141 VanDerWaalsContact O-N 3.14Å; E141-E145 WeakPolarHBondContact O-CB 3.48Å; E141-E145 PolarHBondContact O-N 3.32Å; E141-W253 HydrophobicContact CB-CZ2 4.45Å; E141-W253 HydrophobicContact CG-CH2 4.08Å; E141-W253 HydrophobicContact CG-CZ2 4.13Å
142I91.4Very high85.2Confident84 Ų8477.1 Ų77.143%0.43138%0.384SS..Hα-helixtrans-70.7-44.3-178.4-60.2175.2000109.5E138 A139 D140 A144 E145 N146E138-I142 VanDerWaalsContact OE2-CG2 3.23Å; E138-I142 WeakPolarHBondContact OE2-CG2 3.19Å; A139-I142 HydrophobicContact CB-CD1 4.35Å; A139-I142 HydrophobicContact CB-CG1 4.42Å; A139-I142 PolarHBondContact O-N 2.78Å; D140-I142 PolarHBondContact O-N 3.07Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 2.85Å; I142-E145 PolarHBondContact O-N 2.96Å; I142-N146 VanDerWaalsContact O-CB 3.32Å; I142-N146 WeakPolarHBondContact O-CB 3.5Å; I142-N146 PolarHBondContact O-N 3.24Å; I142-N146 PolarHBondContact O-ND2 3.17Å
143L91.8Very high86.3Confident23 Ų2376.7 Ų76.712%0.1237%0.367CS..Hα-helixtrans-58.9-45.4175.9-70.2177.1000111.5M135 E138 A139 D140 A147 I181 F183M135-L143 HydrophobicContact CB-CD2 3.92Å; E138-L143 HydrophobicContact CB-CD1 4.29Å; E138-L143 HydrophobicContact CB-CD2 3.83Å; E138-L143 HydrophobicContact CB-CG 3.78Å; E138-L143 HydrophobicContact CG-CD2 4.49Å; A139-L143 PolarHBondContact O-N 2.93Å; A139-L143 VanDerWaalsContact O-N 3.13Å; D140-L143 PolarHBondContact O-N 2.88Å; L143-A147 VanDerWaalsContact O-CB 3.26Å; L143-A147 WeakPolarHBondContact O-CB 3.33Å; L143-A147 PolarHBondContact O-N 2.98Å; L143-I181 HydrophobicContact CD1-CG2 4.47Å; L143-F183 HydrophobicContact CB-CD2 3.81Å; L143-F183 HydrophobicContact CB-CE2 3.6Å; L143-F183 HydrophobicContact CD1-CE2 4.47Å
144A93Very high87.6Confident2 Ų273.4 Ų73.42%0.01735%0.35CS..Hα-helixtrans-66.9-42.7179.300000112.6D140 I142 A147 W148 L166 F183 W253D140-A144 WeakPolarHBondContact O-CB 3.47Å; D140-A144 PolarHBondContact O-N 2.78Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 2.85Å; A144-A147 PolarHBondContact O-N 3.39Å; A144-W148 WeakPolarHBondContact O-CB 3.4Å; A144-W148 PolarHBondContact O-N 3.04Å; A144-L166 HydrophobicContact CB-CD2 3.95Å; A144-F183 HydrophobicContact CB-CD1 3.67Å; A144-F183 HydrophobicContact CB-CD2 4.11Å; A144-F183 HydrophobicContact CB-CE1 3.64Å; A144-F183 HydrophobicContact CB-CE2 4.09Å; A144-F183 HydrophobicContact CB-CG 3.9Å; A144-F183 HydrophobicContact CB-CZ 3.85Å; A144-W253 HydrophobicContact CB-CD2 4.08Å; A144-W253 VanDerWaalsContact CB-CE2 3.4Å; A144-W253 HydrophobicContact CB-CG 4.27Å; A144-W253 HydrophobicContact CB-CZ2 3.79Å
145E92.9Very high89Confident144 Ų14470 Ų7067%0.67334%0.335SS*.Hα-helixtrans-63.1-45.8177-176.5173.2-177.900111.3E141 I142 W148 R149E141-E145 WeakPolarHBondContact O-CB 3.48Å; E141-E145 PolarHBondContact O-N 3.32Å; I142-E145 PolarHBondContact O-N 2.96Å; E145-W148 PolarHBondContact O-N 2.88Å; E145-R149 WeakPolarHBondContact O-CB 3.43Å; E145-R149 PolarHBondContact O-N 3.41Å
146N92.4Very high90.4Very high26 Ų2668.6 Ų68.614%0.13933%0.329CS..Hα-helixtrans-61.8-46.6175.8-78.9-33000111.7I142 W148 R149 Y150I142-N146 VanDerWaalsContact O-CB 3.32Å; I142-N146 WeakPolarHBondContact O-CB 3.5Å; I142-N146 PolarHBondContact O-N 3.24Å; I142-N146 PolarHBondContact O-ND2 3.17Å; N146-W148 VanDerWaalsContact C-N 3.35Å; N146-W148 PolarHBondContact O-N 2.89Å; N146-R149 PolarHBondContact O-N 3.1Å; N146-R149 PolarHBondContact OD1-NH2 3.45Å; N146-Y150 HydrophobicContact CB-CD2 4.48Å; N146-Y150 HydrophobicContact CB-CE2 4.05Å; N146-Y150 WeakPolarHBondContact O-CB 3.36Å; N146-Y150 WeakPolarHBondContact O-CD2 3.39Å; N146-Y150 VanDerWaalsContact O-CG 3.23Å; N146-Y150 PolarHBondContact O-N 2.95Å
147A92.8Very high91.7Very high26 Ų2662.6 Ų62.622%0.21530%0.301CS..Hα-helixtrans-59.8-44.5177.400000111.9L143 A144 Y150 Y151 F183L143-A147 VanDerWaalsContact O-CB 3.26Å; L143-A147 WeakPolarHBondContact O-CB 3.33Å; L143-A147 PolarHBondContact O-N 2.98Å; A144-A147 PolarHBondContact O-N 3.39Å; A147-Y150 PolarHBondContact O-N 3.19Å; A147-Y151 WeakPolarHBondContact O-CB 3.47Å; A147-Y151 PolarHBondContact O-N 2.81Å; A147-F183 HydrophobicContact CB-CB 3.61Å
148W93.9Very high92.8Very high78 Ų7855.4 Ų55.430%0.29526%0.262SS..Hα-helixtrans-64.9-41.5176.8-171.6-109.8000112.3A144 E145 N146 Y151 K152 N164 L166A144-W148 WeakPolarHBondContact O-CB 3.4Å; A144-W148 PolarHBondContact O-N 3.04Å; E145-W148 PolarHBondContact O-N 2.88Å; N146-W148 VanDerWaalsContact C-N 3.35Å; N146-W148 PolarHBondContact O-N 2.89Å; W148-Y151 HydrophobicContact CE3-CD1 4.18Å; W148-Y151 HydrophobicContact CH2-CD1 4.47Å; W148-Y151 HydrophobicContact CZ3-CD1 4Å; W148-Y151 HydrophobicContact CZ3-CE1 4.32Å; W148-Y151 WeakPolarHBondContact O-CB 3.33Å; W148-Y151 PolarHBondContact O-N 2.93Å; W148-K152 HydrophobicContact CZ2-CD 4.41Å; W148-K152 HydrophobicContact CZ2-CG 4.39Å; W148-K152 PolarHBondContact O-N 3Å; W148-N164 HydrophobicContact CH2-CB 3.95Å; W148-N164 HydrophobicContact CZ3-CB 4.39Å; W148-L166 HydrophobicContact CE3-CD1 4.2Å
149R93.4Very high93.4Very high130 Ų13052.1 Ų52.149%0.49125%0.247SC..Hα-helixtrans-60.3-50.5175.6-177177.768.6178.9-0.6111.2E145 N146 Y151 K152 M153E145-R149 WeakPolarHBondContact O-CB 3.43Å; E145-R149 PolarHBondContact O-N 3.41Å; N146-R149 PolarHBondContact O-N 3.1Å; N146-R149 PolarHBondContact OD1-NH2 3.45Å; R149-Y151 VanDerWaalsContact C-N 3.28Å; R149-Y151 PolarHBondContact O-N 2.94Å; R149-K152 PolarHBondContact O-N 3.44Å; R149-M153 VanDerWaalsContact O-CG 3.31Å; R149-M153 WeakPolarHBondContact O-CG 3.39Å; R149-M153 PolarHBondContact O-N 3.02Å
150Y92.3Very high93.6Very high81 Ų8149.9 Ų49.932%0.31823%0.228SC..Hα-helixtrans-61.3-37.6177.4-66.5-35.7000112.4V130 N146 A147 M153V130-Y150 HydrophobicContact CG1-CD1 3.63Å; V130-Y150 HydrophobicContact CG1-CD2 4.33Å; V130-Y150 HydrophobicContact CG1-CE1 4.27Å; V130-Y150 HydrophobicContact CG1-CG 3.68Å; N146-Y150 HydrophobicContact CB-CD2 4.48Å; N146-Y150 HydrophobicContact CB-CE2 4.05Å; N146-Y150 WeakPolarHBondContact O-CB 3.36Å; N146-Y150 WeakPolarHBondContact O-CD2 3.39Å; N146-Y150 VanDerWaalsContact O-CG 3.23Å; N146-Y150 PolarHBondContact O-N 2.95Å; A147-Y150 PolarHBondContact O-N 3.19Å; Y150-M153 HydrophobicContact CD1-SD 4.01Å
151Y93.8Very high93.8Very high42 Ų4251 Ų5117%0.16523%0.234CC..Hα-helixtrans-62.6-50.6173.3-179.4-109.4000111.9A147 W148 R149 M153 R154 N155 T160 N164 P185A147-Y151 WeakPolarHBondContact O-CB 3.47Å; A147-Y151 PolarHBondContact O-N 2.81Å; W148-Y151 HydrophobicContact CE3-CD1 4.18Å; W148-Y151 HydrophobicContact CH2-CD1 4.47Å; W148-Y151 HydrophobicContact CZ3-CD1 4Å; W148-Y151 HydrophobicContact CZ3-CE1 4.32Å; W148-Y151 WeakPolarHBondContact O-CB 3.33Å; W148-Y151 PolarHBondContact O-N 2.93Å; R149-Y151 VanDerWaalsContact C-N 3.28Å; R149-Y151 PolarHBondContact O-N 2.94Å; Y151-M153 VanDerWaalsContact C-N 3.28Å; Y151-M153 PolarHBondContact O-N 3.16Å; Y151-R154 PolarHBondContact O-N 3.33Å; Y151-N155 HydrophobicContact CD2-CB 4.32Å; Y151-N155 VanDerWaalsContact CD2-ND2 3.26Å; Y151-N155 WeakPolarHBondContact CD2-ND2 3.39Å; Y151-N155 HydrophobicContact CE1-CB 4.08Å; Y151-N155 HydrophobicContact CE2-CB 3.9Å; Y151-N155 WeakPolarHBondContact CE2-ND2 3.43Å; Y151-N155 WeakPolarHBondContact O-CB 3.28Å; Y151-N155 PolarHBondContact O-N 3.47Å; Y151-T160 HydrophobicContact CE1-CG2 4.02Å; Y151-N164 HydrophobicContact CE1-CB 4.48Å; Y151-N164 PolarHBondContact OH-ND2 3.3Å; Y151-P185 HydrophobicContact CD1-CB 4.04Å; Y151-P185 HydrophobicContact CD1-CG 4.45Å; Y151-P185 HydrophobicContact CD2-CB 3.91Å; Y151-P185 HydrophobicContact CD2-CG 3.43Å; Y151-P185 VanDerWaalsContact CD2-CG 3.43Å; Y151-P185 HydrophobicContact CE1-CB 3.95Å; Y151-P185 HydrophobicContact CE1-CG 4.5Å; Y151-P185 HydrophobicContact CE2-CB 3.77Å; Y151-P185 HydrophobicContact CE2-CG 3.44Å; Y151-P185 VanDerWaalsContact CE2-CG 3.44Å; Y151-P185 HydrophobicContact CG-CB 4.02Å; Y151-P185 HydrophobicContact CG-CG 3.94Å
152K93.7Very high93.9Very high53 Ų5348 Ų4823%0.2322%0.221CC..Hα-helixtrans-64.8-27.2179.6-76.2-77.9-81.9176.80113.4W148 R149 R154 N155 D156 D161W148-K152 HydrophobicContact CZ2-CD 4.41Å; W148-K152 HydrophobicContact CZ2-CG 4.39Å; W148-K152 PolarHBondContact O-N 3Å; R149-K152 PolarHBondContact O-N 3.44Å; K152-R154 PolarHBondContact O-N 3.35Å; K152-N155 WeakPolarHBondContact CA-O 3.38Å; K152-D156 IonicContact NZ-OD1 2.8Å; K152-D156 PolarHBondContact NZ-OD1 3.05Å; K152-D161 IonicContact NZ-OD1 2.85Å; K152-D161 PolarHBondContact NZ-OD1 3.32Å
153M92.4Very high94.1Very high84 Ų8444 Ų4441%0.41420%0.2SC..THydrogen-bonded Turntrans-63.3-22.5172.5-74.1173.568.200113.6P128 R149 Y150 Y151P128-M153 WeakPolarHBondContact CD-O 3.29Å; P128-M153 HydrophobicContact CG-CB 4.49Å; P128-M153 HydrophobicContact CG-CE 4.42Å; R149-M153 VanDerWaalsContact O-CG 3.31Å; R149-M153 WeakPolarHBondContact O-CG 3.39Å; R149-M153 PolarHBondContact O-N 3.02Å; Y150-M153 HydrophobicContact CD1-SD 4.01Å; Y151-M153 VanDerWaalsContact C-N 3.28Å; Y151-M153 PolarHBondContact O-N 3.16Å
154R93.6Very high94.3Very high83 Ų8344 Ų4431%0.31320%0.2SC..THydrogen-bonded Turntrans-110.4-25.7179.8-67.7177.457.689.4-0.4112.8N122 K127 P128 V130 Y151 K152N122-R154 PolarHBondContact ND2-O 3Å; K127-R154 HydrophobicContact CB-CB 4.43Å; K127-R154 HydrophobicContact CB-CG 4.33Å; K127-R154 HydrophobicContact CD-CB 4.42Å; K127-R154 WeakPolarHBondContact CE-O 3.44Å; P128-R154 HydrophobicContact CG-CG 4.36Å; P128-R154 PolarHBondContact O-NH1 3.16Å; V130-R154 HydrophobicContact CG2-CG 4.4Å; Y151-R154 PolarHBondContact O-N 3.33Å; K152-R154 PolarHBondContact O-N 3.35Å
155N95.1Very high94.3Very high22 Ų2243.9 Ų43.912%0.11820%0.199CC..  trans-134.296.7-170.4-58.1-49.2000109.6H118 K127 Y151 K152 T160H118-N155 WeakPolarHBondContact NE2-CB 3.41Å; H118-N155 PolarHBondContact NE2-OD1 3.37Å; K127-N155 PolarHBondContact NZ-OD1 3.15Å; Y151-N155 HydrophobicContact CD2-CB 4.32Å; Y151-N155 VanDerWaalsContact CD2-ND2 3.26Å; Y151-N155 WeakPolarHBondContact CD2-ND2 3.39Å; Y151-N155 HydrophobicContact CE1-CB 4.08Å; Y151-N155 HydrophobicContact CE2-CB 3.9Å; Y151-N155 WeakPolarHBondContact CE2-ND2 3.43Å; Y151-N155 WeakPolarHBondContact O-CB 3.28Å; Y151-N155 PolarHBondContact O-N 3.47Å; K152-N155 WeakPolarHBondContact CA-O 3.38Å; N155-T160 HydrophobicContact CB-CG2 4.12Å
156D95.7Very high94.3Very high37 Ų3737.1 Ų37.120%0.19817%0.168CC..  trans-134.5112.8178.1-174.424.3000110.7N122 R123 I124 K152N122-D156 CarbonylContact C-O 3.32Å; N122-D156 WeakPolarHBondContact CA-O 3.48Å; N122-D156 PolarHBondContact OD1-N 3.43Å; N122-D156 VanDerWaalsContact OD1-N 3.09Å; N122-D156 PolarHBondContact OD1-O 2.87Å; R123-D156 HydrophobicContact CB-CB 4.35Å; R123-D156 WeakPolarHBondContact CB-O 3.44Å; R123-D156 WeakPolarHBondContact CD-OD2 3.31Å; R123-D156 WeakPolarHBondContact CG-O 3.35Å; R123-D156 IonicContact CZ-OD1 3.83Å; R123-D156 PolarHBondContact N-O 3.06Å; R123-D156 IonicContact NH1-OD1 3.74Å; R123-D156 PolarHBondContact NH1-OD1 2.81Å; R123-D156 IonicContact NH1-OD2 2.84Å; I124-D156 HydrophobicContact CD1-CB 4.16Å; I124-D156 HydrophobicContact CG1-CB 3.98Å; K152-D156 IonicContact NZ-OD1 2.8Å; K152-D156 PolarHBondContact NZ-OD1 3.05Å
157S96.8Very high94.4Very high0 Ų036.9 Ų36.90%017%0.166CC..SBendtrans-161.8168.9-174.566.50000110.4H118 L121 I159 T160 D161H118-S157 WeakPolarHBondContact ND1-CB 3.27Å; H118-S157 PolarHBondContact ND1-OG 3.07Å; L121-S157 WeakPolarHBondContact O-CB 3.39Å; S157-I159 PolarHBondContact O-N 2.81Å; S157-I159 PolarHBondContact OG-N 2.87Å; S157-T160 PolarHBondContact N-OG1 2.84Å; S157-T160 PolarHBondContact O-N 3.07Å; S157-T160 PolarHBondContact O-OG1 2.97Å; S157-T160 PolarHBondContact OG-N 2.81Å; S157-T160 PolarHBondContact OG-OG1 2.51Å; S157-T160 VanDerWaalsContact OG-OG1 3.11Å; S157-D161 PolarHBondContact O-N 2.89Å
158I96.1Very high94.3Very high20 Ų2036.8 Ų36.810%0.10316%0.161CC..Hα-helixtrans-57.5-31.7169.4-170.558.2000112.9L46 Y49 L121 D161 L162L46-I158 HydrophobicContact CD1-CG1 4.38Å; L46-I158 HydrophobicContact CD1-CG2 4.39Å; Y49-I158 HydrophobicContact CD1-CB 4.37Å; Y49-I158 HydrophobicContact CD1-CG1 4.14Å; Y49-I158 HydrophobicContact CD1-CG2 4.02Å; Y49-I158 HydrophobicContact CD2-CB 4.23Å; Y49-I158 HydrophobicContact CD2-CD1 4.13Å; Y49-I158 HydrophobicContact CD2-CG1 3.95Å; Y49-I158 HydrophobicContact CE1-CB 4.18Å; Y49-I158 HydrophobicContact CE1-CG1 4.45Å; Y49-I158 HydrophobicContact CE1-CG2 3.65Å; Y49-I158 HydrophobicContact CE2-CB 4.02Å; Y49-I158 HydrophobicContact CE2-CG1 4.27Å; Y49-I158 HydrophobicContact CE2-CG2 4.37Å; Y49-I158 HydrophobicContact CG-CB 4.38Å; Y49-I158 HydrophobicContact CG-CD1 4.36Å; Y49-I158 HydrophobicContact CG-CG1 3.86Å; L121-I158 HydrophobicContact CD1-CG2 3.87Å; I158-D161 PolarHBondContact O-N 2.81Å; I158-L162 HydrophobicContact CD1-CD1 3.84Å; I158-L162 HydrophobicContact CD1-CG 4.01Å; I158-L162 HydrophobicContact CG1-CD1 3.84Å; I158-L162 HydrophobicContact CG1-CG 4.35Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 VanDerWaalsContact O-CG 3.3Å; I158-L162 WeakPolarHBondContact O-CG 3.48Å; I158-L162 PolarHBondContact O-N 3.38Å; I158-L162 VanDerWaalsContact O-N 3.12Å
159I96.5Very high94.2Very high2 Ų233 Ų331%0.0115%0.147CC..Hα-helixtrans-68.6-48179.1-58.4-56.7000110.2L46 L114 L117 H118 S157 D161 L162 F163L46-I159 HydrophobicContact CD1-CD1 3.87Å; L114-I159 HydrophobicContact CB-CG2 4.28Å; L114-I159 HydrophobicContact CD2-CD1 4.48Å; L114-I159 HydrophobicContact CD2-CG2 4.2Å; L117-I159 HydrophobicContact CB-CD1 4.02Å; L117-I159 HydrophobicContact CB-CG1 3.93Å; L117-I159 HydrophobicContact CD1-CD1 4.44Å; H118-I159 HydrophobicContact CB-CB 3.96Å; H118-I159 HydrophobicContact CB-CG1 4.27Å; H118-I159 HydrophobicContact CB-CG2 4.11Å; S157-I159 PolarHBondContact O-N 2.81Å; S157-I159 PolarHBondContact OG-N 2.87Å; I159-D161 VanDerWaalsContact C-N 3.26Å; I159-D161 PolarHBondContact O-N 3.22Å; I159-L162 PolarHBondContact O-N 2.85Å; I159-F163 HydrophobicContact CD1-CD2 4.28Å; I159-F163 HydrophobicContact CD1-CE2 4.18Å; I159-F163 HydrophobicContact CG2-CB 4.38Å; I159-F163 HydrophobicContact CG2-CD2 4.03Å; I159-F163 WeakPolarHBondContact O-CB 3.27Å; I159-F163 PolarHBondContact O-N 2.85Å
160T95.2Very high94Very high1 Ų127.7 Ų27.71%0.00613%0.129CC..Hα-helixtrans-61.9-34.7176.448.10000112.8Y151 N155 S157 L162 N164Y151-T160 HydrophobicContact CE1-CG2 4.02Å; N155-T160 HydrophobicContact CB-CG2 4.12Å; S157-T160 PolarHBondContact N-OG1 2.84Å; S157-T160 PolarHBondContact O-N 3.07Å; S157-T160 PolarHBondContact O-OG1 2.97Å; S157-T160 PolarHBondContact OG-N 2.81Å; S157-T160 PolarHBondContact OG-OG1 2.51Å; S157-T160 VanDerWaalsContact OG-OG1 3.11Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-N164 WeakPolarHBondContact CA-OD1 3.48Å; T160-N164 WeakPolarHBondContact O-CB 3.21Å
161D94.5Very high93.8Very high64 Ų6424.4 Ų24.434%0.34212%0.117SC..Hα-helixtrans-69.7-34.1179.2-63.1-23000111.7R123 K152 S157 I158 I159R123-D161 IonicContact CZ-OD2 2.71Å; R123-D161 IonicContact NH1-OD1 3.92Å; R123-D161 IonicContact NH1-OD2 2.69Å; R123-D161 PolarHBondContact NH1-OD2 3.05Å; R123-D161 IonicContact NH2-OD2 2.78Å; R123-D161 PolarHBondContact NH2-OD2 3.46Å; R123-D161 VanDerWaalsContact NH2-OD2 3.17Å; K152-D161 IonicContact NZ-OD1 2.85Å; K152-D161 PolarHBondContact NZ-OD1 3.32Å; S157-D161 PolarHBondContact O-N 2.89Å; I158-D161 PolarHBondContact O-N 2.81Å; I159-D161 VanDerWaalsContact C-N 3.26Å; I159-D161 PolarHBondContact O-N 3.22Å
162L94.9Very high93.7Very high7 Ų724.7 Ų24.74%0.03712%0.121CC..Hα-helixtrans-95.5-41.6-174.5-67.5179.3000114P45 L46 I158 I159 T160 P256 E257 V258P45-L162 HydrophobicContact CB-CD1 4.02Å; P45-L162 HydrophobicContact CB-CD2 3.75Å; P45-L162 HydrophobicContact CG-CD1 3.93Å; P45-L162 HydrophobicContact CG-CD2 3.63Å; P45-L162 HydrophobicContact CG-CG 4.43Å; L46-L162 HydrophobicContact CB-CD1 4.01Å; L46-L162 HydrophobicContact CD1-CD1 4.28Å; I158-L162 HydrophobicContact CD1-CD1 3.84Å; I158-L162 HydrophobicContact CD1-CG 4.01Å; I158-L162 HydrophobicContact CG1-CD1 3.84Å; I158-L162 HydrophobicContact CG1-CG 4.35Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 VanDerWaalsContact O-CG 3.3Å; I158-L162 WeakPolarHBondContact O-CG 3.48Å; I158-L162 PolarHBondContact O-N 3.38Å; I158-L162 VanDerWaalsContact O-N 3.12Å; I159-L162 PolarHBondContact O-N 2.85Å; T160-L162 VanDerWaalsContact C-N 3.33Å; L162-P256 WeakPolarHBondContact O-CB 3.28Å; L162-E257 HydrophobicContact CD2-CB 4.42Å; L162-E257 PolarHBondContact O-N 3.09Å; L162-E257 VanDerWaalsContact O-N 3.11Å; L162-V258 HydrophobicContact CB-CG2 4.25Å; L162-V258 PolarHBondContact O-N 3.13Å
163F95.5Very high93.6Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-109.7-14.9-164.4-66.2-86.3000114.2L40 V43 L46 L114 I159 P256 V258 V260L40-F163 HydrophobicContact CD2-CE1 4.18Å; L40-F163 HydrophobicContact CD2-CZ 3.96Å; V43-F163 HydrophobicContact CG1-CZ 4.14Å; V43-F163 HydrophobicContact CG2-CZ 4.27Å; L46-F163 HydrophobicContact CD1-CE2 4.43Å; L46-F163 HydrophobicContact CD2-CE2 4.07Å; L46-F163 HydrophobicContact CD2-CZ 4.05Å; L114-F163 HydrophobicContact CD1-CD1 4.41Å; L114-F163 HydrophobicContact CD2-CD1 4.03Å; L114-F163 HydrophobicContact CD2-CD2 3.93Å; L114-F163 HydrophobicContact CD2-CE1 4.07Å; L114-F163 HydrophobicContact CD2-CE2 3.99Å; L114-F163 HydrophobicContact CD2-CG 3.95Å; L114-F163 HydrophobicContact CD2-CZ 4.06Å; I159-F163 HydrophobicContact CD1-CD2 4.28Å; I159-F163 HydrophobicContact CD1-CE2 4.18Å; I159-F163 HydrophobicContact CG2-CB 4.38Å; I159-F163 HydrophobicContact CG2-CD2 4.03Å; I159-F163 WeakPolarHBondContact O-CB 3.27Å; I159-F163 PolarHBondContact O-N 2.85Å; F163-P256 VanDerWaalsContact O-CB 3.28Å; F163-P256 WeakPolarHBondContact O-CB 3.24Å; F163-P256 WeakPolarHBondContact O-CG 3.4Å; F163-V258 HydrophobicContact CD1-CB 3.8Å; F163-V258 HydrophobicContact CD1-CG1 3.8Å; F163-V258 HydrophobicContact CE1-CB 3.74Å; F163-V258 HydrophobicContact CE1-CG1 3.36Å; F163-V258 HydrophobicContact CE1-CG2 4.4Å; F163-V258 HydrophobicContact CG-CB 4.44Å; F163-V258 HydrophobicContact CZ-CB 4.3Å; F163-V258 HydrophobicContact CZ-CG1 4.1Å; F163-V258 HydrophobicContact CZ-CG2 4.49Å; F163-V260 HydrophobicContact CD1-CG2 3.6Å; F163-V260 HydrophobicContact CE1-CG2 3.92Å
164N95.5Very high93.5Very high21 Ų2121.5 Ų21.511%0.11211%0.112CC..  trans-92.6127.6-174.4-7063.7000113.2W148 Y151 T160 F186W148-N164 HydrophobicContact CH2-CB 3.95Å; W148-N164 HydrophobicContact CZ3-CB 4.39Å; Y151-N164 HydrophobicContact CE1-CB 4.48Å; Y151-N164 PolarHBondContact OH-ND2 3.3Å; T160-N164 WeakPolarHBondContact CA-OD1 3.48Å; T160-N164 WeakPolarHBondContact O-CB 3.21Å; N164-F186 VanDerWaalsContact CA-O 3.24Å; N164-F186 WeakPolarHBondContact CA-O 3.35Å
165G93.4Very high93.5Very high0 Ų022.4 Ų22.40%012%0.119CC..EExtended strand (participates in β ladder)trans-115.3-170.2166.100000111.3P185 F186 S254G165-P185 WeakPolarHBondContact O-CA 3.38Å; G165-F186 VanDerWaalsContact C-CD1 3.4Å; G165-F186 VanDerWaalsContact CA-CE1 3.49Å; G165-F186 PolarHBondContact N-O 3.26Å; G165-F186 WeakPolarHBondContact O-CD1 3.47Å; G165-F186 PolarHBondContact O-N 3.14Å; G165-S254 WeakPolarHBondContact CA-O 3.25Å
166L94Very high93.4Very high3 Ų322.8 Ų22.82%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-128.6131.5179.8-160.765.4000111A144 W148 F183 W253 S254A144-L166 HydrophobicContact CB-CD2 3.95Å; W148-L166 HydrophobicContact CE3-CD1 4.2Å; L166-F183 HydrophobicContact CD1-CB 4.09Å; L166-F183 HydrophobicContact CD2-CB 3.94Å; L166-F183 HydrophobicContact CD2-CD1 3.91Å; L166-F183 HydrophobicContact CD2-CG 4.26Å; L166-F183 HydrophobicContact CG-CB 4Å; L166-F183 HydrophobicContact CG-CD1 4.12Å; L166-W253 HydrophobicContact CB-CB 4.39Å; L166-W253 HydrophobicContact CD2-CG 4.46Å; L166-W253 WeakPolarHBondContact O-CA 3.11Å; L166-W253 WeakPolarHBondContact O-CB 3.25Å; L166-W253 PolarHBondContact O-N 2.99Å; L166-S254 WeakPolarHBondContact CB-OG 2.88Å; L166-S254 PolarHBondContact N-O 3.21Å; L166-S254 PolarHBondContact N-OG 3.38Å; L166-S254 VanDerWaalsContact N-OG 3.14Å; L166-S254 PolarHBondContact O-N 2.77Å
167L92.7Very high93.2Very high20 Ų2027.5 Ų27.511%0.10514%0.144CC..EExtended strand (participates in β ladder)trans-101143.5171-67.7169.7000109.8F183 D184 F186 L189 F250 D251 L252L167-F183 CarbonylContact O-C 3.47Å; L167-F183 VanDerWaalsContact O-CA 3.24Å; L167-F183 WeakPolarHBondContact O-CA 3.33Å; L167-D184 PolarHBondContact N-O 3.4Å; L167-D184 PolarHBondContact O-N 2.87Å; L167-F186 HydrophobicContact CD1-CB 4.12Å; L167-F186 HydrophobicContact CD1-CD1 4.17Å; L167-F186 HydrophobicContact CD1-CG 4.29Å; L167-F186 HydrophobicContact CD2-CD1 4.19Å; L167-F186 HydrophobicContact CD2-CE1 4.25Å; L167-F186 HydrophobicContact CG-CB 4.45Å; L167-F186 HydrophobicContact CG-CD1 3.6Å; L167-F186 HydrophobicContact CG-CE1 4.11Å; L167-F186 HydrophobicContact CG-CG 4.21Å; L167-L189 HydrophobicContact CD2-CD1 4.48Å; L167-F250 HydrophobicContact CD1-CD1 4.31Å; L167-D251 CarbonylContact C-O 3.52Å; L167-D251 WeakPolarHBondContact CA-O 3.46Å; L167-L252 HydrophobicContact CD2-CD2 3.51Å; L167-L252 HydrophobicContact CD2-CG 4.34Å
168K91.9Very high92.8Very high24 Ų2429.2 Ų29.210%0.10415%0.152CC..EExtended strand (participates in β ladder)trans-92.2116162.7-175.4-175.7-178.3-179.10108.3D140 I181 F183 F250 D251 I302D140-K168 VanDerWaalsContact OD1-CE 3.29Å; D140-K168 WeakPolarHBondContact OD1-CE 3.47Å; D140-K168 IonicContact OD1-NZ 2.93Å; D140-K168 PolarHBondContact OD1-NZ 3.28Å; D140-K168 IonicContact OD2-NZ 2.61Å; D140-K168 PolarHBondContact OD2-NZ 2.78Å; K168-I181 HydrophobicContact CD-CG2 4.38Å; K168-I181 VanDerWaalsContact CE-CG2 3.47Å; K168-I181 HydrophobicContact CG-CG2 4.03Å; K168-F183 HydrophobicContact CB-CD1 4.08Å; K168-F183 HydrophobicContact CB-CE1 3.61Å; K168-F183 HydrophobicContact CB-CZ 4.16Å; K168-F183 HydrophobicContact CD-CE1 4.3Å; K168-F183 HydrophobicContact CD-CZ 4.05Å; K168-F183 HydrophobicContact CG-CD1 4.46Å; K168-F183 HydrophobicContact CG-CE1 3.81Å; K168-F183 HydrophobicContact CG-CE2 4.45Å; K168-F183 HydrophobicContact CG-CZ 3.82Å; K168-F250 CarbonylContact O-C 3.53Å; K168-F250 WeakPolarHBondContact O-CA 3.22Å; K168-D251 HydrophobicContact CB-CB 4.33Å; K168-D251 PolarHBondContact N-O 3.24Å; K168-D251 PolarHBondContact O-N 3.33Å; K168-I302 HydrophobicContact CB-CD1 3.99Å; K168-I302 HydrophobicContact CD-CD1 3.52Å; K168-I302 HydrophobicContact CG-CD1 4.38Å
169S90.4Very high92.5Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-96123.6171.7-71.50000109.3I181 T182 D184 K249 F250S169-I181 WeakPolarHBondContact O-CA 3.48Å; S169-T182 WeakPolarHBondContact CB-OG1 3.4Å; S169-T182 PolarHBondContact N-O 3.45Å; S169-T182 PolarHBondContact O-N 2.99Å; S169-D184 WeakPolarHBondContact CB-OD2 3.23Å; S169-D184 PolarHBondContact OG-OD2 3.24Å; S169-K249 WeakPolarHBondContact CA-O 3.11Å; S169-F250 WeakPolarHBondContact OG-CD1 3.21Å; S169-F250 WeakPolarHBondContact OG-CE1 3.31Å
170T89.8Confident92.1Very high18 Ų1832.5 Ų32.511%0.1117%0.173CC..EExtended strand (participates in β ladder)trans-113.5122.6173.3-53.60000108.7I172 V179 K248 K249T170-I172 HydrophobicContact CG2-CG1 4.28Å; T170-V179 HydrophobicContact CG2-CG1 3.67Å; T170-K248 WeakPolarHBondContact O-CA 3.37Å; T170-K249 PolarHBondContact N-O 3.06Å; T170-K249 PolarHBondContact O-N 2.8Å
171V89.2Confident91.9Very high11 Ų1135.2 Ų35.27%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-117.1126177.3-176.50000109.6V179 S180 A246 T247 K248V171-V179 WeakPolarHBondContact O-CA 3.42Å; V171-S180 PolarHBondContact N-O 3.03Å; V171-S180 PolarHBondContact O-N 3.46Å; V171-A246 HydrophobicContact CG1-CB 3.55Å; V171-T247 WeakPolarHBondContact CA-O 3.5Å; V171-K248 HydrophobicContact CG2-CB 4.35Å; V171-K248 HydrophobicContact CG2-CD 4.21Å; V171-K248 HydrophobicContact CG2-CG 3.95Å
172I90.6Very high91.7Very high48 Ų4834.2 Ų34.225%0.24618%0.183CC..EExtended strand (participates in β ladder)trans-116123.6-178.9-50.5177.2000108.9T170 V179 A246 T247T170-I172 HydrophobicContact CG2-CG1 4.28Å; I172-V179 HydrophobicContact CG1-CG2 4.34Å; I172-A246 WeakPolarHBondContact O-CA 3.3Å; I172-A246 WeakPolarHBondContact O-CB 3.42Å; I172-T247 PolarHBondContact N-O 2.79Å; I172-T247 PolarHBondContact O-N 3.23Å
173C91Very high91.7Very high8 Ų834.7 Ų34.75%0.05419%0.185CC..  trans-73.8130.2173179.30000110.4E175 H177 K178 C237C173-E175 VanDerWaalsContact C-N 3.33Å; C173-E175 PolarHBondContact O-N 3.32Å; C173-H177 WeakPolarHBondContact O-CA 3.49Å; C173-H177 PolarHBondContact O-N 3.3Å; C173-H177 VanDerWaalsContact O-N 3.12Å; C173-K178 PolarHBondContact N-O 3.25Å; C173-C237 VanDerWaalsContact SG-SG 3.61Å
174P91.9Very high91.5Very high63 Ų6337.3 Ų37.341%0.40920%0.199SC..THydrogen-bonded Turntrans-70.5-27.3-178.529.6-37.4000113.2H177 Q244 Q245P174-H177 PolarHBondContact O-CE1 3.23Å; P174-Q244 HydrophobicContact CG-CB 4.36Å; P174-Q245 WeakPolarHBondContact CG-O 3.44Å
175E92.5Very high91.4Very high101 Ų10138.7 Ų38.747%0.47221%0.209SC..THydrogen-bonded Turntrans-89.8-53.4-176.1-70.8-171.5175.800113.5C173 K242 Q244C173-E175 VanDerWaalsContact C-N 3.33Å; C173-E175 PolarHBondContact O-N 3.32Å; E175-K242 WeakPolarHBondContact OE1-CE 3.37Å; E175-K242 IonicContact OE1-NZ 2.69Å; E175-K242 PolarHBondContact OE1-NZ 3.39Å; E175-K242 WeakPolarHBondContact OE2-CE 3.43Å; E175-K242 IonicContact OE2-NZ 2.96Å; E175-K242 PolarHBondContact OE2-NZ 2.79Å; E175-Q244 PolarHBondContact OE2-NE2 3.29Å
176C93.1Very high91.4Very high30 Ų3039.5 Ų39.520%0.20321%0.213CC..THydrogen-bonded Turntrans-98.1-0.4-176.171.50000113.8K178 C240C176-K178 PolarHBondContact O-N 3.44Å; C176-K178 VanDerWaalsContact SG-CB 3.6Å; C176-C240 VanDerWaalsContact SG-SG 3.64Å
177H91.3Very high91.3Very high136 Ų13640.3 Ų40.363%0.6322%0.222SC*.  trans53.918.7-178-55.2-56.5000115.1C173 P174 V179C173-H177 WeakPolarHBondContact O-CA 3.49Å; C173-H177 PolarHBondContact O-N 3.3Å; C173-H177 VanDerWaalsContact O-N 3.12Å; P174-H177 PolarHBondContact O-CE1 3.23Å; H177-V179 PolarHBondContact O-N 3.04Å
178K89.7Confident91.1Very high37 Ų3740.8 Ų40.816%0.16123%0.226CC..  trans-60.2124.5172-176.7178.2-176.4177.30108.8E136 C173 C176 P238 R239E136-K178 WeakPolarHBondContact OE1-CE 3.36Å; E136-K178 IonicContact OE1-NZ 2.67Å; E136-K178 PolarHBondContact OE1-NZ 3.41Å; C173-K178 PolarHBondContact N-O 3.25Å; C176-K178 PolarHBondContact O-N 3.44Å; C176-K178 VanDerWaalsContact SG-CB 3.6Å; K178-P238 HydrophobicContact CD-CG 4.38Å; K178-R239 HydrophobicContact CD-CB 4.47Å
179V89.2Confident90.9Very high79 Ų7940 Ų4048%0.47922%0.222SC..EExtended strand (participates in β ladder)trans-94120.9171.1-175.10000108.1T170 V171 I172 H177 I181T170-V179 HydrophobicContact CG2-CG1 3.67Å; V171-V179 WeakPolarHBondContact O-CA 3.42Å; I172-V179 HydrophobicContact CG1-CG2 4.34Å; H177-V179 PolarHBondContact O-N 3.04Å; V179-I181 HydrophobicContact CG1-CG1 4.13Å
180S88.2Confident90.6Very high11 Ų1141.7 Ų41.78%0.07723%0.234CC..EExtended strand (participates in β ladder)trans-107.2125.3170.3-69.80000108.7V171 R235V171-S180 PolarHBondContact N-O 3.03Å; V171-S180 PolarHBondContact O-N 3.46Å; S180-R235 VanDerWaalsContact CB-NH1 3.31Å; S180-R235 PolarHBondContact OG-NH1 3.13Å
181I90.7Very high90.2Very high58 Ų5841.3 Ų41.330%0.29723%0.232SC..EExtended strand (participates in β ladder)trans-110129.5176.1-62.9172.3000108.2L143 K168 S169 V179 F183L143-I181 HydrophobicContact CD1-CG2 4.47Å; K168-I181 HydrophobicContact CD-CG2 4.38Å; K168-I181 VanDerWaalsContact CE-CG2 3.47Å; K168-I181 HydrophobicContact CG-CG2 4.03Å; S169-I181 WeakPolarHBondContact O-CA 3.48Å; V179-I181 HydrophobicContact CG1-CG1 4.13Å; I181-F183 HydrophobicContact CG2-CD2 4.41Å; I181-F183 HydrophobicContact CG2-CE2 3.86Å; I181-F183 HydrophobicContact CG2-CZ 4.45Å
182T90.9Very high89.5Confident44 Ų4444.4 Ų44.427%0.2725%0.252SS..EExtended strand (participates in β ladder)trans-132.2154171.461.30000110S169 D184S169-T182 WeakPolarHBondContact CB-OG1 3.4Å; S169-T182 PolarHBondContact N-O 3.45Å; S169-T182 PolarHBondContact O-N 2.99Å; T182-D184 PolarHBondContact OG1-OD2 3.12Å
183F93.6Very high88.5Confident16 Ų1642.8 Ų42.87%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-114.7114.4176-75.8-87.8000109.7D140 L143 A144 A147 L166 L167 K168 I181 W253D140-F183 HydrophobicContact CB-CZ 4.04Å; D140-F183 WeakPolarHBondContact O-CZ 3.5Å; L143-F183 HydrophobicContact CB-CD2 3.81Å; L143-F183 HydrophobicContact CB-CE2 3.6Å; L143-F183 HydrophobicContact CD1-CE2 4.47Å; A144-F183 HydrophobicContact CB-CD1 3.67Å; A144-F183 HydrophobicContact CB-CD2 4.11Å; A144-F183 HydrophobicContact CB-CE1 3.64Å; A144-F183 HydrophobicContact CB-CE2 4.09Å; A144-F183 HydrophobicContact CB-CG 3.9Å; A144-F183 HydrophobicContact CB-CZ 3.85Å; A147-F183 HydrophobicContact CB-CB 3.61Å; L166-F183 HydrophobicContact CD1-CB 4.09Å; L166-F183 HydrophobicContact CD2-CB 3.94Å; L166-F183 HydrophobicContact CD2-CD1 3.91Å; L166-F183 HydrophobicContact CD2-CG 4.26Å; L166-F183 HydrophobicContact CG-CB 4Å; L166-F183 HydrophobicContact CG-CD1 4.12Å; L167-F183 CarbonylContact O-C 3.47Å; L167-F183 VanDerWaalsContact O-CA 3.24Å; L167-F183 WeakPolarHBondContact O-CA 3.33Å; K168-F183 HydrophobicContact CB-CD1 4.08Å; K168-F183 HydrophobicContact CB-CE1 3.61Å; K168-F183 HydrophobicContact CB-CZ 4.16Å; K168-F183 HydrophobicContact CD-CE1 4.3Å; K168-F183 HydrophobicContact CD-CZ 4.05Å; K168-F183 HydrophobicContact CG-CD1 4.46Å; K168-F183 HydrophobicContact CG-CE1 3.81Å; K168-F183 HydrophobicContact CG-CE2 4.45Å; K168-F183 HydrophobicContact CG-CZ 3.82Å; I181-F183 HydrophobicContact CG2-CD2 4.41Å; I181-F183 HydrophobicContact CG2-CE2 3.86Å; I181-F183 HydrophobicContact CG2-CZ 4.45Å; F183-W253 HydrophobicContact CD1-CB 4.13Å; F183-W253 HydrophobicContact CD1-CD2 4.26Å; F183-W253 AromaticContact CD1-CG 3.99Å; F183-W253 HydrophobicContact CD1-CG 3.99Å; F183-W253 HydrophobicContact CE1-CB 3.93Å; F183-W253 AromaticContact CE1-CD2 3.44Å; F183-W253 HydrophobicContact CE1-CD2 3.44Å; F183-W253 VanDerWaalsContact CE1-CD2 3.44Å; F183-W253 AromaticContact CE1-CE3 3.53Å; F183-W253 HydrophobicContact CE1-CE3 3.53Å; F183-W253 AromaticContact CE1-CG 3.61Å; F183-W253 HydrophobicContact CE1-CG 3.61Å; F183-W253 HydrophobicContact CE1-CZ3 4.22Å; F183-W253 HydrophobicContact CZ-CD2 4.18Å; F183-W253 AromaticContact CZ-CE3 3.97Å; F183-W253 HydrophobicContact CZ-CE3 3.97Å; F183-W253 HydrophobicContact CZ-CZ3 4.22Å
184D91.8Very high87.3Confident55 Ų5546.9 Ų46.929%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-113.2124.1-169-59.8-57000110.6L167 S169 T182L167-D184 PolarHBondContact N-O 3.4Å; L167-D184 PolarHBondContact O-N 2.87Å; S169-D184 WeakPolarHBondContact CB-OD2 3.23Å; S169-D184 PolarHBondContact OG-OD2 3.24Å; T182-D184 PolarHBondContact OG1-OD2 3.12Å
185P94.1Very high85.7Confident51 Ų5151.3 Ų51.333%0.33129%0.285SS..EExtended strand (participates in β ladder)trans-68.5145.2176.529.6-34.8000110.3Y151 G165Y151-P185 HydrophobicContact CD1-CB 4.04Å; Y151-P185 HydrophobicContact CD1-CG 4.45Å; Y151-P185 HydrophobicContact CD2-CB 3.91Å; Y151-P185 HydrophobicContact CD2-CG 3.43Å; Y151-P185 VanDerWaalsContact CD2-CG 3.43Å; Y151-P185 HydrophobicContact CE1-CB 3.95Å; Y151-P185 HydrophobicContact CE1-CG 4.5Å; Y151-P185 HydrophobicContact CE2-CB 3.77Å; Y151-P185 HydrophobicContact CE2-CG 3.44Å; Y151-P185 VanDerWaalsContact CE2-CG 3.44Å; Y151-P185 HydrophobicContact CG-CB 4.02Å; Y151-P185 HydrophobicContact CG-CG 3.94Å; G165-P185 WeakPolarHBondContact O-CA 3.38Å
186F92.6Very high83.9Confident17 Ų1753 Ų538%0.07529%0.291CS..EExtended strand (participates in β ladder)trans-135.8141175.174.5-85.1000110.9N164 G165 L167 L189 L252 L255 L259N164-F186 VanDerWaalsContact CA-O 3.24Å; N164-F186 WeakPolarHBondContact CA-O 3.35Å; G165-F186 VanDerWaalsContact C-CD1 3.4Å; G165-F186 VanDerWaalsContact CA-CE1 3.49Å; G165-F186 PolarHBondContact N-O 3.26Å; G165-F186 WeakPolarHBondContact O-CD1 3.47Å; G165-F186 PolarHBondContact O-N 3.14Å; L167-F186 HydrophobicContact CD1-CB 4.12Å; L167-F186 HydrophobicContact CD1-CD1 4.17Å; L167-F186 HydrophobicContact CD1-CG 4.29Å; L167-F186 HydrophobicContact CD2-CD1 4.19Å; L167-F186 HydrophobicContact CD2-CE1 4.25Å; L167-F186 HydrophobicContact CG-CB 4.45Å; L167-F186 HydrophobicContact CG-CD1 3.6Å; L167-F186 HydrophobicContact CG-CE1 4.11Å; L167-F186 HydrophobicContact CG-CG 4.21Å; F186-L189 HydrophobicContact CD2-CB 4.31Å; F186-L189 HydrophobicContact CE2-CB 4.17Å; F186-L252 HydrophobicContact CE1-CD2 4.48Å; F186-L252 HydrophobicContact CZ-CD2 4.36Å; F186-L255 HydrophobicContact CZ-CD2 3.94Å; F186-L259 HydrophobicContact CE2-CD1 3.95Å; F186-L259 HydrophobicContact CZ-CD1 4.39Å
187G91.6Very high81.6Confident20 Ų2057 Ų5721%0.20632%0.317CS..SBendtrans-102.2-27.1170.300000113.8
188V89Confident79.3Confident30 Ų3058.2 Ų58.218%0.18233%0.327CS..SBendtrans-133.2123.6179.1-179.90000109.2L114 S190 V260 H262L114-V188 HydrophobicContact CD1-CG2 3.79Å; V188-S190 PolarHBondContact O-N 3.25Å; V188-V260 HydrophobicContact CB-CG1 4.49Å; V188-V260 HydrophobicContact CG1-CB 4.48Å; V188-V260 HydrophobicContact CG1-CG1 4.03Å; V188-V260 HydrophobicContact CG2-CB 4.2Å; V188-V260 HydrophobicContact CG2-CG1 4.02Å; V188-H262 HydrophobicContact CG1-CB 3.77Å
189L87.6Confident76.8Confident7 Ų767.7 Ų67.74%0.03736%0.362CS..EExtended strand (participates in β ladder)trans-89.7105.4176.4-175.664000109.7L167 F186 L191 L252 L259 V260 I261 H262L167-L189 HydrophobicContact CD2-CD1 4.48Å; F186-L189 HydrophobicContact CD2-CB 4.31Å; F186-L189 HydrophobicContact CE2-CB 4.17Å; L189-L191 HydrophobicContact CD1-CD2 4.37Å; L189-L191 HydrophobicContact CD2-CD2 3.93Å; L189-L191 HydrophobicContact CG-CD2 3.8Å; L189-L191 HydrophobicContact CG-CG 4.36Å; L189-L252 HydrophobicContact CD1-CD2 4.25Å; L189-L252 HydrophobicContact CD2-CD2 4.04Å; L189-L259 HydrophobicContact CB-CD1 4.47Å; L189-V260 PolarHBondContact N-O 2.71Å; L189-I261 WeakPolarHBondContact O-CA 3.36Å; L189-H262 PolarHBondContact O-N 3.45Å
190S85.1Confident74.3Confident36 Ų3672.5 Ų72.525%0.25238%0.38SS..EExtended strand (participates in β ladder)trans-89.6109.3178.2-67.60000111.4V188 H262V188-S190 PolarHBondContact O-N 3.25Å; S190-H262 CarbonylContact C-O 3.59Å; S190-H262 WeakPolarHBondContact CA-O 3.43Å; S190-H262 PolarHBondContact OG-ND1 2.9Å
191L81Confident71.7Confident10 Ų1078.3 Ų78.35%0.05241%0.408CS..EExtended strand (participates in β ladder)trans-93.6128.8-178.9-59.2-178.6000111L189 L222 L224 I261 H262 L263 K264L189-L191 HydrophobicContact CD1-CD2 4.37Å; L189-L191 HydrophobicContact CD2-CD2 3.93Å; L189-L191 HydrophobicContact CG-CD2 3.8Å; L189-L191 HydrophobicContact CG-CG 4.36Å; L191-L222 HydrophobicContact CD1-CD2 4.13Å; L191-L224 HydrophobicContact CD1-CD2 4.2Å; L191-L224 HydrophobicContact CD1-CG 4.39Å; L191-L224 HydrophobicContact CD2-CD2 3.73Å; L191-I261 HydrophobicContact CD1-CG2 3.56Å; L191-I261 HydrophobicContact CG-CG2 3.96Å; L191-H262 PolarHBondContact N-O 3.03Å; L191-L263 HydrophobicContact CB-CD2 4.4Å; L191-K264 PolarHBondContact O-N 3.36Å
192P74.9Confident68.8Low75 Ų7581.5 Ų81.549%0.48743%0.433SS..EExtended strand (participates in β ladder)trans-65147.4167.230.5-33.1000109.2
193L69.7Low66.1Low15 Ų1585 Ų858%0.07945%0.454CS..PPolyproline II helixtrans-97.1144170.4-60.9-174.3000108.9E195 L263 R265 I276 I280L193-E195 PolarHBondContact O-N 3.2Å; L193-E195 VanDerWaalsContact O-N 3.07Å; L193-L263 HydrophobicContact CD1-CB 4.45Å; L193-L263 HydrophobicContact CD2-CB 4.22Å; L193-L263 HydrophobicContact CD2-CD2 4.04Å; L193-R265 HydrophobicContact CD1-CB 4.42Å; L193-R265 HydrophobicContact CD1-CG 3.44Å; L193-R265 VanDerWaalsContact CD1-CG 3.44Å; L193-I276 HydrophobicContact CB-CD1 4.01Å; L193-I276 HydrophobicContact CB-CG2 4.27Å; L193-I276 HydrophobicContact CD1-CB 4.16Å; L193-I276 HydrophobicContact CD1-CG2 3.83Å; L193-I280 HydrophobicContact CD1-CD1 3.79Å; L193-I280 HydrophobicContact CD2-CD1 3.19Å; L193-I280 HydrophobicContact CD2-CG1 4.48Å; L193-I280 HydrophobicContact CG-CD1 4.12Å
194P64.3Low63.1Low93 Ų9391.5 Ų91.560%0.60449%0.489SS*.PPolyproline II helixtrans-58.3119.9169.224.7-31.3000107.8K196P194-K196 PolarHBondContact O-N 3.09Å
195E59.4Low60.4Low156 Ų15696.9 Ų96.973%0.72951%0.51SS*.PPolyproline II helixtrans-62.6130.1168.8-65-17717500106.7L193L193-E195 PolarHBondContact O-N 3.2Å; L193-E195 VanDerWaalsContact O-N 3.07Å
196K54.1Low58.1Low138 Ų13899.9 Ų99.960%0.653%0.527SS*.PPolyproline II helixtrans-60140165.6-72.9-175.1176.4-175.40106.2P194 D198P194-K196 PolarHBondContact O-N 3.09Å; K196-D198 PolarHBondContact O-N 3.42Å
197P45Very low55.7Low114 Ų114102.2 Ų102.274%0.7454%0.544SS*.SBendtrans-51.7140.2163.724-31.1000107.8
198D43.2Very low53.5Low160 Ų160110.2 Ų110.286%0.85658%0.581SS**SBendtrans-36.4143-173-86.8-45.5000113.4K196 Q200K196-D198 PolarHBondContact O-N 3.42Å; D198-Q200 PolarHBondContact O-N 3Å
199R37.4Very low51.6Low236 Ų236114.1 Ų114.189%0.89160%0.6SS**  trans-20.7108175.8-89179.1167.8175.5-3.8111.7I201R199-I201 VanDerWaalsContact C-N 3.31Å; R199-I201 PolarHBondContact O-N 3.49Å
200Q35.6Very low49.6Very low181 Ų181119.4 Ų119.485%0.84664%0.635SS**  trans-63.2102.6157.4-69.3-175.1-1.500106.2D198 P202D198-Q200 PolarHBondContact O-N 3Å; Q200-P202 WeakPolarHBondContact O-CD 3.41Å
201I34.8Very low47.7Very low132 Ų132123.8 Ų123.868%0.67766%0.656SS**  trans-64.6121.2163.3-61.9170.8000104.3R199 V203R199-I201 VanDerWaalsContact C-N 3.31Å; R199-I201 PolarHBondContact O-N 3.49Å; I201-V203 VanDerWaalsContact C-N 3.28Å; I201-V203 PolarHBondContact O-N 3.43Å
202P30.5Very low45.9Very low125 Ų125132.2 Ų132.281%0.81270%0.695SS**  trans-63.298.1173.425.2-30.5000107.3Q200 L204Q200-P202 WeakPolarHBondContact O-CD 3.41Å; P202-L204 PolarHBondContact O-N 2.93Å
203V32.4Very low44Very low118 Ų118133.7 Ų133.772%0.71571%0.713SS**  trans-80.7111.5163.6-177.80000104.3I201 F205I201-V203 VanDerWaalsContact C-N 3.28Å; I201-V203 PolarHBondContact O-N 3.43Å; V203-F205 PolarHBondContact O-N 2.84Å
204L31.4Very low42.4Very low153 Ų153138.5 Ų138.580%0.80175%0.748SS**  trans-67.788.2168.9-176.772.3000107.3P202 V206P202-L204 PolarHBondContact O-N 2.93Å; L204-V206 HydrophobicContact CD1-CG2 4.43Å; L204-V206 HydrophobicContact CD2-CG2 3.94Å; L204-V206 HydrophobicContact CG-CG2 3.79Å; L204-V206 PolarHBondContact O-N 3.32Å
205F35.4Very low41Very low168 Ų168142.3 Ų142.374%0.73776%0.763SS**  trans-78.5113.3164.4-172.4-100.2000106.4V203 P207V203-F205 PolarHBondContact O-N 2.84Å; F205-P207 HydrophobicContact CD1-CB 4.35Å; F205-P207 HydrophobicContact CD1-CG 3.82Å; F205-P207 HydrophobicContact CE1-CB 3.96Å; F205-P207 HydrophobicContact CE1-CG 3.91Å; F205-P207 VanDerWaalsContact O-CD 3.3Å; F205-P207 WeakPolarHBondContact O-CD 3.29Å
206V45.6Very low39.9Very low114 Ų114140.2 Ų140.269%0.69177%0.766SS**  trans-97.498.7172.3-176.50000106.7L204L204-V206 HydrophobicContact CD1-CG2 4.43Å; L204-V206 HydrophobicContact CD2-CG2 3.94Å; L204-V206 HydrophobicContact CG-CG2 3.79Å; L204-V206 PolarHBondContact O-N 3.32Å
207P42.3Very low39.2Very low65 Ų65139.9 Ų139.942%0.42278%0.775SS.*  trans-69.1149.2173.1-2.619.1000109.5F205 D209F205-P207 HydrophobicContact CD1-CB 4.35Å; F205-P207 HydrophobicContact CD1-CG 3.82Å; F205-P207 HydrophobicContact CE1-CB 3.96Å; F205-P207 HydrophobicContact CE1-CG 3.91Å; F205-P207 VanDerWaalsContact O-CD 3.3Å; F205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-D209 PolarHBondContact O-N 3.36Å; P207-D209 VanDerWaalsContact O-N 3.09Å
208L45.1Very low38.9Very low189 Ų189139 Ų13999%0.9977%0.772SS**SBendtrans-64.8-9.5175.8-123.9100.2000113.5
209D49.4Very low38.7Very low111 Ų111142.3 Ų142.359%0.59477%0.772SS**SBendtrans-115.8119.2-176.2-153.8-22.5000110.8P207 N211P207-D209 PolarHBondContact O-N 3.36Å; P207-D209 VanDerWaalsContact O-N 3.09Å; D209-N211 VanDerWaalsContact C-N 3.27Å; D209-N211 PolarHBondContact O-N 3.11Å; D209-N211 VanDerWaalsContact O-N 3.11Å
210P45.8Very low38.8Very low118 Ų118132.2 Ų132.277%0.76674%0.741SS**  trans-766-165.7-15.931.2000116.9
211N44.7Very low39.2Very low128 Ų128127 Ų12768%0.68473%0.729SS**  trans-101.614.1-158.9-76-37.3000117.1D209D209-N211 VanDerWaalsContact C-N 3.27Å; D209-N211 PolarHBondContact O-N 3.11Å; D209-N211 VanDerWaalsContact O-N 3.11Å
212H43.7Very low39.6Very low187 Ų187123 Ų12387%0.86671%0.709SS**  trans-134.196179.8-81.750.2000112.8
213A34.3Very low40.1Very low106 Ų106121.8 Ų121.888%0.87670%0.704SS**  trans-132.9116.8162.500000109.9
214S37.1Very low40.9Very low116 Ų116117.4 Ų117.481%0.81168%0.676SS**  trans-144114.8159.556.30000110.3
215D34.3Very low41.2Very low174 Ų174113.6 Ų113.693%0.9366%0.662SS**  trans-75.3133.3172.6-82.5-34.8000110.8
216S35.4Very low41.2Very low111 Ų111112.4 Ų112.478%0.77666%0.664SS**  trans-125.6112.2173.240.70000111.5S218S216-S218 PolarHBondContact O-N 3.07Å
217V39.9Very low41.1Very low131 Ų131107.6 Ų107.679%0.79464%0.637SS**  trans-77.6113.9171.6175.70000109.4R219V217-R219 PolarHBondContact O-N 3.23Å
218S38.3Very low41.5Very low97 Ų97106.2 Ų106.268%0.67863%0.626SS**  trans-68.3112.3178.2-30.40000111.3S216S216-S218 PolarHBondContact O-N 3.07Å
219R39.2Very low41.9Very low229 Ų229100.2 Ų100.286%0.86460%0.6SS**PPolyproline II helixtrans-95.9122171.5-68.4177.9177.5144.30.4109.4V217V217-R219 PolarHBondContact O-N 3.23Å
220G39.9Very low42.4Very low23 Ų23101.6 Ų101.624%0.23760%0.598CS.*EExtended strand (participates in β ladder)trans-86.3130.817300000111.7S281G220-S281 PolarHBondContact O-N 2.81Å
221A43.4Very low43.2Very low72 Ų7298.9 Ų98.960%0.59558%0.581SS**EExtended strand (participates in β ladder)trans-88.7146.9162.100000109S223A221-S223 VanDerWaalsContact C-N 3.33Å; A221-S223 PolarHBondContact O-N 2.69Å
222L44.2Very low44.4Very low47 Ų4797.4 Ų97.425%0.24658%0.578CS.*  trans-62.498166.3-83.3154.7000108.9L191 L263 I280 F282L191-L222 HydrophobicContact CD1-CD2 4.13Å; L222-L263 HydrophobicContact CD2-CD2 3.75Å; L222-I280 HydrophobicContact CD1-CG2 3.43Å; L222-I280 VanDerWaalsContact CD1-CG2 3.43Å; L222-I280 HydrophobicContact CD2-CG2 4.02Å; L222-I280 HydrophobicContact CG-CG2 3.35Å; L222-F282 HydrophobicContact CD1-CB 3.88Å
223S40.8Very low46Very low101 Ų10194.1 Ų94.171%0.70656%0.561SS**  trans-90.799.7164.8-167.10000107.4A221 S225A221-S223 VanDerWaalsContact C-N 3.33Å; A221-S223 PolarHBondContact O-N 2.69Å; S223-S225 PolarHBondContact O-N 2.84Å
224L47.9Very low48.5Very low25 Ų2592.6 Ų92.613%0.13154%0.539CS..  trans-68.987.9153.1-78.5139.7000104.8L191 N226 M297 W300L191-L224 HydrophobicContact CD1-CD2 4.2Å; L191-L224 HydrophobicContact CD1-CG 4.39Å; L191-L224 HydrophobicContact CD2-CD2 3.73Å; L224-N226 PolarHBondContact O-N 3.2Å; L224-M297 HydrophobicContact CD1-CE 4.13Å; L224-M297 HydrophobicContact CD1-SD 4.1Å; L224-W300 HydrophobicContact CB-CD2 4.17Å; L224-W300 HydrophobicContact CB-CG 4.19Å; L224-W300 HydrophobicContact CB-CZ2 4.07Å; L224-W300 VanDerWaalsContact CB-NE1 3.34Å; L224-W300 HydrophobicContact CD1-CD2 4.07Å; L224-W300 HydrophobicContact CD1-CE3 4.22Å; L224-W300 HydrophobicContact CD1-CH2 4.2Å; L224-W300 HydrophobicContact CD1-CZ2 4.03Å; L224-W300 HydrophobicContact CD1-CZ3 4.3Å; L224-W300 PolarHBondContact O-NE1 3.06Å
225S39.1Very low50.8Low73 Ų7390.2 Ų90.251%0.5151%0.512SS..  trans-58.7131.1172.252.30000107.7S223 G227S223-S225 PolarHBondContact O-N 2.84Å; S225-G227 CarbonylContact O-C 3.58Å; S225-G227 PolarHBondContact O-N 2.8Å; S225-G227 PolarHBondContact OG-O 3.34Å
226N35.6Very low53.4Low143 Ų14387.3 Ų87.377%0.76549%0.489SS*.SBendtrans-53.8112.8172.8-75.5-10.1000108.3L224L224-N226 PolarHBondContact O-N 3.2Å
227G42.5Very low56Low13 Ų1382.5 Ų82.513%0.13446%0.455CS..SBendtrans92.598.7-165.700000111.4S225 S229S225-G227 CarbonylContact O-C 3.58Å; S225-G227 PolarHBondContact O-N 2.8Å; S225-G227 PolarHBondContact OG-O 3.34Å; G227-S229 PolarHBondContact O-N 3.12Å
228L50.9Low58.3Low37 Ų3779 Ų7919%0.19444%0.435CS..EExtended strand (participates in β ladder)trans-53.6113.6157.8-81.495.9000106.1F250L228-F250 HydrophobicContact CB-CB 3.88Å; L228-F250 HydrophobicContact CB-CD2 4.33Å; L228-F250 HydrophobicContact CD1-CB 3.97Å; L228-F250 VanDerWaalsContact CD1-O 3.27Å; L228-F250 WeakPolarHBondContact CD1-O 3.39Å; L228-F250 HydrophobicContact CD2-CB 4.22Å; L228-F250 HydrophobicContact CD2-CD2 4.5Å; L228-F250 HydrophobicContact CG-CB 4.23Å; L228-F250 PolarHBondContact N-O 3.22Å
229S53.9Low60.7Low63 Ų6383 Ų8344%0.44144%0.435SS..EExtended strand (participates in β ladder)trans-9.5126-179.752.70000115.3G227 C231G227-S229 PolarHBondContact O-N 3.12Å; S229-C231 VanDerWaalsContact C-N 3.34Å; S229-C231 PolarHBondContact O-N 3.47Å; S229-C231 PolarHBondContact O-SG 2.73Å; S229-C231 PolarHBondContact OG-SG 3.25Å
230Y58.8Low63.2Low140 Ų14073.7 Ų73.755%0.54941%0.405SS..EExtended strand (participates in β ladder)trans-61.299.9162.6-71.4-84.1000108.3K248 K249Y230-K248 WeakPolarHBondContact CA-O 3.35Å; Y230-K249 HydrophobicContact CD1-CB 4.27Å; Y230-K249 HydrophobicContact CE1-CB 4.02Å; Y230-K249 HydrophobicContact CE1-CD 4.28Å
231C62.6Low65.7Low61 Ų6180.4 Ų80.441%0.41243%0.427SS..EExtended strand (participates in β ladder)trans-99.1124.9175.1-63.80000107.8S229 F233 K248S229-C231 VanDerWaalsContact C-N 3.34Å; S229-C231 PolarHBondContact O-N 3.47Å; S229-C231 PolarHBondContact O-SG 2.73Å; S229-C231 PolarHBondContact OG-SG 3.25Å; C231-F233 PolarHBondContact O-N 2.98Å; C231-K248 PolarHBondContact N-O 2.74Å; C231-K248 PolarHBondContact O-N 3.03Å; C231-K248 VanDerWaalsContact O-N 3.16Å
232P70.5Confident68Low96 Ų9681.5 Ų81.562%0.62342%0.419SS*.EExtended strand (participates in β ladder)trans-55.4131162.9-22.633.5000109.5A246P232-A246 WeakPolarHBondContact CA-O 3.14Å
233F78.3Confident70.3Confident118 Ų11884.7 Ų84.752%0.51843%0.432SS..EExtended strand (participates in β ladder)trans-143.1135.6177.5173.6-98.3000109.3C231 R235 Q244 A246C231-F233 PolarHBondContact O-N 2.98Å; F233-R235 HydrophobicContact CD1-CB 3.96Å; F233-R235 HydrophobicContact CE1-CB 4.05Å; F233-R235 HydrophobicContact CE1-CG 4.47Å; F233-R235 PolarHBondContact O-N 2.94Å; F233-Q244 VanDerWaalsContact O-O 3.14Å; F233-A246 PolarHBondContact N-O 2.82Å; F233-A246 PolarHBondContact O-N 3.37Å
234D86Confident72.6Confident74 Ų7480.5 Ų80.540%0.39640%0.401SS..EExtended strand (participates in β ladder)trans-72.6109.5177.2-170.949.4000110.6H243 Q244D234-H243 WeakPolarHBondContact OD1-CB 3.36Å; D234-H243 IonicContact OD1-ND1 3.75Å; D234-H243 IonicContact OD2-CE1 3.78Å; D234-H243 IonicContact OD2-CG 3.63Å; D234-H243 IonicContact OD2-ND1 2.82Å; D234-H243 PolarHBondContact OD2-ND1 3.42Å; D234-Q244 WeakPolarHBondContact CA-O 3.2Å
235R84.8Confident74.6Confident66 Ų6684.6 Ų84.625%0.24942%0.42CS..EExtended strand (participates in β ladder)trans-130.8137.5179.6-166.8-179.6-178.6-126.4-3.2111E134 S180 F233 C237 Q244 A246E134-R235 IonicContact OE1-NH2 2.95Å; E134-R235 PolarHBondContact OE1-NH2 3Å; S180-R235 VanDerWaalsContact CB-NH1 3.31Å; S180-R235 PolarHBondContact OG-NH1 3.13Å; F233-R235 HydrophobicContact CD1-CB 3.96Å; F233-R235 HydrophobicContact CE1-CB 4.05Å; F233-R235 HydrophobicContact CE1-CG 4.47Å; F233-R235 PolarHBondContact O-N 2.94Å; R235-C237 PolarHBondContact O-N 2.84Å; R235-Q244 PolarHBondContact N-O 2.84Å; R235-Q244 PolarHBondContact O-N 2.86Å; R235-A246 HydrophobicContact CB-CB 4.21Å
236Y89.8Confident76.9Confident114 Ų11481.3 Ų81.345%0.44740%0.397SS..EExtended strand (participates in β ladder)trans-63.6121.1168.9-174.1-98.7000111K241 H243Y236-K241 WeakPolarHBondContact OH-CA 3.26Å; Y236-H243 AromaticContact CD2-CD2 3.78Å
237C89.5Confident79.3Confident9 Ų976.8 Ų76.86%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-93.9118.7174-179.90000109.9C173 R235 R239 C240 K241 K242 Q244C173-C237 VanDerWaalsContact SG-SG 3.61Å; R235-C237 PolarHBondContact O-N 2.84Å; C237-R239 PolarHBondContact O-N 3.43Å; C237-C240 HydrophobicContact CB-CB 4.04Å; C237-C240 PolarHBondContact O-N 3.45Å; C237-K241 WeakPolarHBondContact O-CA 3.21Å; C237-K241 PolarHBondContact O-N 3.11Å; C237-K242 PolarHBondContact N-O 3.36Å; C237-Q244 HydrophobicContact CB-CG 3.74Å
238P88.5Confident81.3Confident57 Ų5779 Ų7937%0.3738%0.38SS..THydrogen-bonded Turntrans-65.6-26.5-17825.6-34.2000113.2K178K178-P238 HydrophobicContact CD-CG 4.38Å
239R89.4Confident83Confident181 Ų18179.4 Ų79.468%0.68338%0.381SS*.THydrogen-bonded Turntrans-78.9-41.6179-154.9-178.2-168.5-176.25.9112.2K178 C237K178-R239 HydrophobicContact CD-CB 4.47Å; C237-R239 PolarHBondContact O-N 3.43Å
240C91.4Very high84.6Confident34 Ų3479.2 Ų79.223%0.2337%0.372CS..THydrogen-bonded Turntrans-81.9-15.1177.4-580000113.2C176 C237 K242 Q244C176-C240 VanDerWaalsContact SG-SG 3.64Å; C237-C240 HydrophobicContact CB-CB 4.04Å; C237-C240 PolarHBondContact O-N 3.45Å; C240-K242 HydrophobicContact CB-CG 3.94Å; C240-K242 PolarHBondContact O-N 2.76Å; C240-Q244 PolarHBondContact SG-NE2 2.84Å
241K91.8Very high86.1Confident164 Ų16473.5 Ų73.571%0.71335%0.351SS*.THydrogen-bonded Turntrans53.232.3-173.6-59.8-176.9177.9-178.50114Y236 C237Y236-K241 WeakPolarHBondContact OH-CA 3.26Å; C237-K241 WeakPolarHBondContact O-CA 3.21Å; C237-K241 PolarHBondContact O-N 3.11Å
242K92.1Very high87.4Confident96 Ų9670.8 Ų70.842%0.41733%0.332SS..EExtended strand (participates in β ladder)trans-148.8160.2177.267.8-174.7-172.8178.90111.1E175 C237 C240E175-K242 WeakPolarHBondContact OE1-CE 3.37Å; E175-K242 IonicContact OE1-NZ 2.69Å; E175-K242 PolarHBondContact OE1-NZ 3.39Å; E175-K242 WeakPolarHBondContact OE2-CE 3.43Å; E175-K242 IonicContact OE2-NZ 2.96Å; E175-K242 PolarHBondContact OE2-NZ 2.79Å; C237-K242 PolarHBondContact N-O 3.36Å; C240-K242 HydrophobicContact CB-CG 3.94Å; C240-K242 PolarHBondContact O-N 2.76Å
243H91.9Very high88.5Confident113 Ų11367 Ų6752%0.52331%0.306SS..EExtended strand (participates in β ladder)trans-68136.7171.7-85-107.8000110.4D234 Y236D234-H243 WeakPolarHBondContact OD1-CB 3.36Å; D234-H243 IonicContact OD1-ND1 3.75Å; D234-H243 IonicContact OD2-CE1 3.78Å; D234-H243 IonicContact OD2-CG 3.63Å; D234-H243 IonicContact OD2-ND1 2.82Å; D234-H243 PolarHBondContact OD2-ND1 3.42Å; Y236-H243 AromaticContact CD2-CD2 3.78Å
244Q89.4Confident89.2Confident13 Ų1363 Ų636%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-133146.6-175.1-62-72.30.200109.6P174 E175 F233 D234 R235 C237 C240 A246P174-Q244 HydrophobicContact CG-CB 4.36Å; E175-Q244 PolarHBondContact OE2-NE2 3.29Å; F233-Q244 VanDerWaalsContact O-O 3.14Å; D234-Q244 WeakPolarHBondContact CA-O 3.2Å; R235-Q244 PolarHBondContact N-O 2.84Å; R235-Q244 PolarHBondContact O-N 2.86Å; C237-Q244 HydrophobicContact CB-CG 3.74Å; C240-Q244 PolarHBondContact SG-NE2 2.84Å; Q244-A246 PolarHBondContact O-N 3.48Å
245Q89.8Confident89.4Confident111 Ų11160 Ų6052%0.51928%0.276SS..EExtended strand (participates in β ladder)trans-74.972.5166.8-66.8-61.9-45.800109.7P174P174-Q245 WeakPolarHBondContact CG-O 3.44Å
246A87.4Confident89.8Confident4 Ų457.1 Ų57.13%0.03327%0.266CS..EExtended strand (participates in β ladder)trans-70.5149.2-179.800000110.9V171 I172 P232 F233 R235 Q244V171-A246 HydrophobicContact CG1-CB 3.55Å; I172-A246 WeakPolarHBondContact O-CA 3.3Å; I172-A246 WeakPolarHBondContact O-CB 3.42Å; P232-A246 WeakPolarHBondContact CA-O 3.14Å; F233-A246 PolarHBondContact N-O 2.82Å; F233-A246 PolarHBondContact O-N 3.37Å; R235-A246 HydrophobicContact CB-CB 4.21Å; Q244-A246 PolarHBondContact O-N 3.48Å
247T87.1Confident89.9Confident48 Ų4854.3 Ų54.329%0.29426%0.257SS..EExtended strand (participates in β ladder)trans-91.1126.6170.959.60000108.9V171 I172V171-T247 WeakPolarHBondContact CA-O 3.5Å; I172-T247 PolarHBondContact N-O 2.79Å; I172-T247 PolarHBondContact O-N 3.23Å
248K84.4Confident90Very high59 Ų5953.9 Ų53.926%0.25725%0.254SS..EExtended strand (participates in β ladder)trans-110.1132.9176.6-171.7170.4-168.3-177.10110.4T170 V171 Y230 C231 F250T170-K248 WeakPolarHBondContact O-CA 3.37Å; V171-K248 HydrophobicContact CG2-CB 4.35Å; V171-K248 HydrophobicContact CG2-CD 4.21Å; V171-K248 HydrophobicContact CG2-CG 3.95Å; Y230-K248 WeakPolarHBondContact CA-O 3.35Å; C231-K248 PolarHBondContact N-O 2.74Å; C231-K248 PolarHBondContact O-N 3.03Å; C231-K248 VanDerWaalsContact O-N 3.16Å; K248-F250 HydrophobicContact CD-CE1 4.34Å; K248-F250 HydrophobicContact CD-CE2 4.11Å; K248-F250 HydrophobicContact CD-CZ 3.74Å; K248-F250 VanDerWaalsContact CE-CE1 3.43Å; K248-F250 HydrophobicContact CG-CE2 4.25Å; K248-F250 HydrophobicContact CG-CZ 4.27Å
249K85.2Confident90.1Very high47 Ų4751.2 Ų51.220%0.20424%0.237CC..EExtended strand (participates in β ladder)trans-123.9140.9175-176.9-170.1179.2-135.40109.4S169 T170 Y230 D251S169-K249 WeakPolarHBondContact CA-O 3.11Å; T170-K249 PolarHBondContact N-O 3.06Å; T170-K249 PolarHBondContact O-N 2.8Å; Y230-K249 HydrophobicContact CD1-CB 4.27Å; Y230-K249 HydrophobicContact CE1-CB 4.02Å; Y230-K249 HydrophobicContact CE1-CD 4.28Å; K249-D251 WeakPolarHBondContact CE-OD1 3.09Å; K249-D251 WeakPolarHBondContact CE-OD2 3.36Å; K249-D251 IonicContact NZ-OD1 2.81Å; K249-D251 PolarHBondContact NZ-OD1 3.41Å; K249-D251 IonicContact NZ-OD2 2.75Å; K249-D251 PolarHBondContact NZ-OD2 2.76Å
250F87.8Confident90.1Very high59 Ų5942.6 Ų42.626%0.25920%0.204SC..EExtended strand (participates in β ladder)trans-114.4138.7169.4-57.1-87.8000111.3L167 K168 S169 L228 K248L167-F250 HydrophobicContact CD1-CD1 4.31Å; K168-F250 CarbonylContact O-C 3.53Å; K168-F250 WeakPolarHBondContact O-CA 3.22Å; S169-F250 WeakPolarHBondContact OG-CD1 3.21Å; S169-F250 WeakPolarHBondContact OG-CE1 3.31Å; L228-F250 HydrophobicContact CB-CB 3.88Å; L228-F250 HydrophobicContact CB-CD2 4.33Å; L228-F250 HydrophobicContact CD1-CB 3.97Å; L228-F250 VanDerWaalsContact CD1-O 3.27Å; L228-F250 WeakPolarHBondContact CD1-O 3.39Å; L228-F250 HydrophobicContact CD2-CB 4.22Å; L228-F250 HydrophobicContact CD2-CD2 4.5Å; L228-F250 HydrophobicContact CG-CB 4.23Å; L228-F250 PolarHBondContact N-O 3.22Å; K248-F250 HydrophobicContact CD-CE1 4.34Å; K248-F250 HydrophobicContact CD-CE2 4.11Å; K248-F250 HydrophobicContact CD-CZ 3.74Å; K248-F250 VanDerWaalsContact CE-CE1 3.43Å; K248-F250 HydrophobicContact CG-CE2 4.25Å; K248-F250 HydrophobicContact CG-CZ 4.27Å
251D89.9Confident89.8Confident19 Ų1941.1 Ų41.110%0.10219%0.194CC..EExtended strand (participates in β ladder)trans-127.4147.4172.3-63.4-68.7000109.8L167 K168 K249 W253 I302L167-D251 CarbonylContact C-O 3.52Å; L167-D251 WeakPolarHBondContact CA-O 3.46Å; K168-D251 HydrophobicContact CB-CB 4.33Å; K168-D251 PolarHBondContact N-O 3.24Å; K168-D251 PolarHBondContact O-N 3.33Å; K249-D251 WeakPolarHBondContact CE-OD1 3.09Å; K249-D251 WeakPolarHBondContact CE-OD2 3.36Å; K249-D251 IonicContact NZ-OD1 2.81Å; K249-D251 PolarHBondContact NZ-OD1 3.41Å; K249-D251 IonicContact NZ-OD2 2.75Å; K249-D251 PolarHBondContact NZ-OD2 2.76Å; D251-W253 PolarHBondContact O-N 2.89Å; D251-I302 HydrophobicContact CB-CD1 3.68Å; D251-I302 HydrophobicContact CB-CG1 4.13Å; D251-I302 HydrophobicContact CB-CG2 3.97Å
252L90.8Very high89.5Confident4 Ų433.9 Ų33.92%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-80.9118179.1-63.8162.6000109.6L167 F186 L189 L255 M297 W300 V301 I302L167-L252 HydrophobicContact CD2-CD2 3.51Å; L167-L252 HydrophobicContact CD2-CG 4.34Å; F186-L252 HydrophobicContact CE1-CD2 4.48Å; F186-L252 HydrophobicContact CZ-CD2 4.36Å; L189-L252 HydrophobicContact CD1-CD2 4.25Å; L189-L252 HydrophobicContact CD2-CD2 4.04Å; L252-L255 HydrophobicContact CB-CD2 4.25Å; L252-L255 HydrophobicContact CD1-CD2 4.24Å; L252-L255 HydrophobicContact CD2-CD2 3.77Å; L252-L255 HydrophobicContact CG-CD2 4.31Å; L252-M297 HydrophobicContact CD1-CE 3.87Å; L252-W300 HydrophobicContact CD1-CB 4.03Å; L252-V301 HydrophobicContact CB-CG2 4.35Å; L252-V301 CarbonylContact O-C 3.49Å; L252-V301 VanDerWaalsContact O-CA 3.29Å; L252-V301 WeakPolarHBondContact O-CA 3.03Å; L252-I302 WeakPolarHBondContact O-CG1 3.5Å; L252-I302 PolarHBondContact O-N 3.03Å
253W92.8Very high88.9Confident17 Ų1729.3 Ų29.36%0.06414%0.143CC..EExtended strand (participates in β ladder)trans-94.8-45.7178.7-178.4-94.2000112.6D140 E141 A144 L166 F183 D251 V301 I302 N303D140-W253 HydrophobicContact CB-CH2 3.63Å; D140-W253 HydrophobicContact CB-CZ3 3.68Å; E141-W253 HydrophobicContact CB-CZ2 4.45Å; E141-W253 HydrophobicContact CG-CH2 4.08Å; E141-W253 HydrophobicContact CG-CZ2 4.13Å; A144-W253 HydrophobicContact CB-CD2 4.08Å; A144-W253 VanDerWaalsContact CB-CE2 3.4Å; A144-W253 HydrophobicContact CB-CG 4.27Å; A144-W253 HydrophobicContact CB-CZ2 3.79Å; L166-W253 HydrophobicContact CB-CB 4.39Å; L166-W253 HydrophobicContact CD2-CG 4.46Å; L166-W253 WeakPolarHBondContact O-CA 3.11Å; L166-W253 WeakPolarHBondContact O-CB 3.25Å; L166-W253 PolarHBondContact O-N 2.99Å; F183-W253 HydrophobicContact CD1-CB 4.13Å; F183-W253 HydrophobicContact CD1-CD2 4.26Å; F183-W253 AromaticContact CD1-CG 3.99Å; F183-W253 HydrophobicContact CD1-CG 3.99Å; F183-W253 HydrophobicContact CE1-CB 3.93Å; F183-W253 AromaticContact CE1-CD2 3.44Å; F183-W253 HydrophobicContact CE1-CD2 3.44Å; F183-W253 VanDerWaalsContact CE1-CD2 3.44Å; F183-W253 AromaticContact CE1-CE3 3.53Å; F183-W253 HydrophobicContact CE1-CE3 3.53Å; F183-W253 AromaticContact CE1-CG 3.61Å; F183-W253 HydrophobicContact CE1-CG 3.61Å; F183-W253 HydrophobicContact CE1-CZ3 4.22Å; F183-W253 HydrophobicContact CZ-CD2 4.18Å; F183-W253 AromaticContact CZ-CE3 3.97Å; F183-W253 HydrophobicContact CZ-CE3 3.97Å; F183-W253 HydrophobicContact CZ-CZ3 4.22Å; D251-W253 PolarHBondContact O-N 2.89Å; W253-V301 VanDerWaalsContact O-CG1 3.23Å; W253-V301 WeakPolarHBondContact O-CG1 3.21Å; W253-I302 HydrophobicContact CE3-CD1 3.82Å; W253-I302 HydrophobicContact CE3-CG1 3.85Å; W253-I302 HydrophobicContact CZ3-CD1 4.25Å; W253-I302 HydrophobicContact CZ3-CG1 4.41Å; W253-N303 HydrophobicContact CD2-CB 3.9Å; W253-N303 HydrophobicContact CE3-CB 4.09Å; W253-N303 HydrophobicContact CG-CB 4.43Å; W253-N303 HydrophobicContact CH2-CB 4.27Å; W253-N303 HydrophobicContact CZ2-CB 4.06Å; W253-N303 HydrophobicContact CZ3-CB 4.28Å; W253-N303 PolarHBondContact NE1-ND2 2.93Å; W253-N303 VanDerWaalsContact O-CB 3.24Å; W253-N303 WeakPolarHBondContact O-CB 3.33Å
254S92.7Very high88.3Confident33 Ų3329.1 Ų29.123%0.23114%0.141CC..EExtended strand (participates in β ladder)trans-144.1149.2174.170.70000110.2G165 L166G165-S254 WeakPolarHBondContact CA-O 3.25Å; L166-S254 WeakPolarHBondContact CB-OG 2.88Å; L166-S254 PolarHBondContact N-O 3.21Å; L166-S254 PolarHBondContact N-OG 3.38Å; L166-S254 VanDerWaalsContact N-OG 3.14Å; L166-S254 PolarHBondContact O-N 2.77Å
255L91.9Very high87.6Confident11 Ų1128.5 Ų28.56%0.05814%0.138CC..  trans-116.2145.9-179.2-58.3176.3000111.5F186 L252 M297 V301 F309 Y311F186-L255 HydrophobicContact CZ-CD2 3.94Å; L252-L255 HydrophobicContact CB-CD2 4.25Å; L252-L255 HydrophobicContact CD1-CD2 4.24Å; L252-L255 HydrophobicContact CD2-CD2 3.77Å; L252-L255 HydrophobicContact CG-CD2 4.31Å; L255-M297 HydrophobicContact CD1-CB 3.44Å; L255-M297 VanDerWaalsContact CD1-CB 3.44Å; L255-M297 HydrophobicContact CD1-CE 4.12Å; L255-M297 HydrophobicContact CD1-CG 4.11Å; L255-V301 HydrophobicContact CD1-CG2 3.57Å; L255-V301 HydrophobicContact CG-CG2 3.79Å; L255-F309 HydrophobicContact CB-CD1 3.74Å; L255-F309 HydrophobicContact CB-CE1 3.71Å; L255-F309 HydrophobicContact CB-CG 4.35Å; L255-F309 HydrophobicContact CB-CZ 4.3Å; L255-F309 HydrophobicContact CD1-CB 4.03Å; L255-F309 HydrophobicContact CD1-CD1 4.15Å; L255-F309 HydrophobicContact CD1-CD2 4.31Å; L255-F309 HydrophobicContact CD1-CG 3.93Å; L255-F309 HydrophobicContact CG-CD1 4.33Å; L255-F309 HydrophobicContact CG-CE1 4.43Å; L255-F309 HydrophobicContact CG-CG 4.47Å; L255-Y311 HydrophobicContact CB-CE2 4.38Å; L255-Y311 WeakPolarHBondContact CB-OH 3.34Å; L255-Y311 HydrophobicContact CD1-CE2 3.97Å
256P93.1Very high86.7Confident6 Ų625.2 Ų25.24%0.03912%0.122CC..  trans-71.4170.7-177.829.9-38000113.7L162 F163 V258 L259 Y311L162-P256 WeakPolarHBondContact O-CB 3.28Å; F163-P256 VanDerWaalsContact O-CB 3.28Å; F163-P256 WeakPolarHBondContact O-CB 3.24Å; F163-P256 WeakPolarHBondContact O-CG 3.4Å; P256-V258 VanDerWaalsContact C-N 3.31Å; P256-V258 VanDerWaalsContact CG-O 3.24Å; P256-V258 WeakPolarHBondContact CG-O 3.44Å; P256-L259 HydrophobicContact CG-CB 4.2Å; P256-L259 HydrophobicContact CG-CD1 4.09Å; P256-Y311 PolarHBondContact O-OH 3.07Å
257E91.3Very high85.7Confident56 Ų5627.1 Ų27.126%0.26214%0.135SC..SBendtrans-67-35.6171.2-169.3167.6150.500111.9L162 F346 R347L162-E257 HydrophobicContact CD2-CB 4.42Å; L162-E257 PolarHBondContact O-N 3.09Å; L162-E257 VanDerWaalsContact O-N 3.11Å; E257-F346 HydrophobicContact CG-CD2 4.31Å; E257-F346 HydrophobicContact CG-CE2 3.69Å; E257-F346 HydrophobicContact CG-CZ 4.32Å; E257-F346 VanDerWaalsContact OE1-CE2 3.32Å; E257-F346 WeakPolarHBondContact OE1-CE2 3.26Å; E257-F346 WeakPolarHBondContact OE1-CZ 3.37Å; E257-R347 HydrophobicContact CG-CB 4.46Å; E257-R347 WeakPolarHBondContact O-CB 3.37Å; E257-R347 PolarHBondContact O-N 2.95Å
258V91.3Very high84Confident0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-117107.9174.9-1730000108.6V43 L162 F163 P256 F345 F346V43-V258 HydrophobicContact CG1-CG1 4.24Å; V43-V258 HydrophobicContact CG1-CG2 3.56Å; V43-V258 HydrophobicContact CG2-CG1 4.17Å; L162-V258 HydrophobicContact CB-CG2 4.25Å; L162-V258 PolarHBondContact O-N 3.13Å; F163-V258 HydrophobicContact CD1-CB 3.8Å; F163-V258 HydrophobicContact CD1-CG1 3.8Å; F163-V258 HydrophobicContact CE1-CB 3.74Å; F163-V258 HydrophobicContact CE1-CG1 3.36Å; F163-V258 HydrophobicContact CE1-CG2 4.4Å; F163-V258 HydrophobicContact CG-CB 4.44Å; F163-V258 HydrophobicContact CZ-CB 4.3Å; F163-V258 HydrophobicContact CZ-CG1 4.1Å; F163-V258 HydrophobicContact CZ-CG2 4.49Å; P256-V258 VanDerWaalsContact C-N 3.31Å; P256-V258 VanDerWaalsContact CG-O 3.24Å; P256-V258 WeakPolarHBondContact CG-O 3.44Å; V258-F345 CarbonylContact C-O 3.57Å; V258-F345 VanDerWaalsContact CA-O 3.27Å; V258-F345 WeakPolarHBondContact CA-O 3.43Å; V258-F346 HydrophobicContact CG2-CD2 3.91Å; V258-F346 HydrophobicContact CG2-CE2 4.39Å
259L90.2Very high82.2Confident0 Ų030 Ų300%016%0.163CC..EExtended strand (participates in β ladder)trans-90.8119.2178.4178.665.1000110.3F186 L189 P256 I261 M295 M297 Y311 F345F186-L259 HydrophobicContact CE2-CD1 3.95Å; F186-L259 HydrophobicContact CZ-CD1 4.39Å; L189-L259 HydrophobicContact CB-CD1 4.47Å; P256-L259 HydrophobicContact CG-CB 4.2Å; P256-L259 HydrophobicContact CG-CD1 4.09Å; L259-I261 HydrophobicContact CD2-CD1 3.99Å; L259-I261 HydrophobicContact CD2-CG1 4.08Å; L259-I261 HydrophobicContact CG-CD1 4.42Å; L259-I261 HydrophobicContact CG-CG1 3.95Å; L259-M295 HydrophobicContact CD2-CE 3.78Å; L259-M297 HydrophobicContact CD2-CE 3.99Å; L259-M297 HydrophobicContact CD2-CG 4.38Å; L259-Y311 HydrophobicContact CB-CD1 4.14Å; L259-Y311 HydrophobicContact CB-CE1 3.71Å; L259-Y311 HydrophobicContact CD2-CE2 4.43Å; L259-F345 HydrophobicContact CB-CB 4.39Å; L259-F345 PolarHBondContact N-O 3.37Å; L259-F345 PolarHBondContact O-N 3.12Å
260V90Very high80.3Confident0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-99.5114.5174.2-172.50000108.4M110 L114 F163 V188 L189 V342 L344M110-V260 HydrophobicContact CG-CG1 4.3Å; L114-V260 HydrophobicContact CD1-CG2 4.29Å; F163-V260 HydrophobicContact CD1-CG2 3.6Å; F163-V260 HydrophobicContact CE1-CG2 3.92Å; V188-V260 HydrophobicContact CB-CG1 4.49Å; V188-V260 HydrophobicContact CG1-CB 4.48Å; V188-V260 HydrophobicContact CG1-CG1 4.03Å; V188-V260 HydrophobicContact CG2-CB 4.2Å; V188-V260 HydrophobicContact CG2-CG1 4.02Å; L189-V260 PolarHBondContact N-O 2.71Å; V260-V342 HydrophobicContact CG1-CG1 3.47Å; V260-V342 VanDerWaalsContact CG1-CG1 3.47Å; V260-L344 HydrophobicContact CG1-CD1 4.26Å; V260-L344 HydrophobicContact CG2-CG 4.17Å
261I85.7Confident78.6Confident4 Ų443.9 Ų43.92%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-103.8121.2175.3-58.6-172.7000108.7L189 L191 L259 L263 M295 V342 I343 F345L189-I261 WeakPolarHBondContact O-CA 3.36Å; L191-I261 HydrophobicContact CD1-CG2 3.56Å; L191-I261 HydrophobicContact CG-CG2 3.96Å; L259-I261 HydrophobicContact CD2-CD1 3.99Å; L259-I261 HydrophobicContact CD2-CG1 4.08Å; L259-I261 HydrophobicContact CG-CD1 4.42Å; L259-I261 HydrophobicContact CG-CG1 3.95Å; I261-L263 HydrophobicContact CG2-CD2 4.12Å; I261-M295 HydrophobicContact CD1-CE 4.08Å; I261-M295 HydrophobicContact CD1-SD 4.35Å; I261-V342 CarbonylContact O-C 3.45Å; I261-V342 WeakPolarHBondContact O-CA 3.27Å; I261-I343 HydrophobicContact CB-CB 4.41Å; I261-I343 PolarHBondContact N-O 2.91Å; I261-I343 PolarHBondContact O-N 3.44Å; I261-F345 HydrophobicContact CD1-CD2 4.13Å; I261-F345 HydrophobicContact CD1-CE2 3.79Å; I261-F345 HydrophobicContact CG1-CD2 4.3Å; I261-F345 HydrophobicContact CG1-CE2 4.24Å
262H84.2Confident76.8Confident11 Ų1151.8 Ų51.85%0.05125%0.253CS..EExtended strand (participates in β ladder)trans-98.4135.7167.8163.1-127.1000109.8Q107 V188 L189 S190 L191 F341Q107-H262 HydrophobicContact CG-CB 4.15Å; V188-H262 HydrophobicContact CG1-CB 3.77Å; L189-H262 PolarHBondContact O-N 3.45Å; S190-H262 CarbonylContact C-O 3.59Å; S190-H262 WeakPolarHBondContact CA-O 3.43Å; S190-H262 PolarHBondContact OG-ND1 2.9Å; L191-H262 PolarHBondContact N-O 3.03Å; H262-F341 CarbonylContact C-O 3.33Å; H262-F341 VanDerWaalsContact CA-O 3.31Å; H262-F341 WeakPolarHBondContact CA-O 3.28Å; H262-F341 PolarHBondContact CD2-O 3.48Å; H262-F341 VanDerWaalsContact CD2-O 3.29Å
263L81.2Confident75.4Confident0 Ų060.6 Ų60.60%029%0.286CS..EExtended strand (participates in β ladder)trans-102.5113174.2-58.8174000108.5L191 L193 L222 I261 R265 I280 S340 F341 I343L191-L263 HydrophobicContact CB-CD2 4.4Å; L193-L263 HydrophobicContact CD1-CB 4.45Å; L193-L263 HydrophobicContact CD2-CB 4.22Å; L193-L263 HydrophobicContact CD2-CD2 4.04Å; L222-L263 HydrophobicContact CD2-CD2 3.75Å; I261-L263 HydrophobicContact CG2-CD2 4.12Å; L263-R265 HydrophobicContact CB-CG 4.34Å; L263-R265 PolarHBondContact O-N 2.77Å; L263-I280 HydrophobicContact CD1-CD1 3.7Å; L263-I280 HydrophobicContact CD2-CD1 4.23Å; L263-I280 HydrophobicContact CG-CD1 4.4Å; L263-S340 WeakPolarHBondContact CD1-O 3.28Å; L263-F341 PolarHBondContact N-O 2.92Å; L263-I343 HydrophobicContact CD1-CD1 3.78Å; L263-I343 HydrophobicContact CD1-CG1 4.49Å; L263-I343 HydrophobicContact CG-CD1 4.35Å
264K78.4Confident74.1Confident110 Ų11062.6 Ų62.648%0.47830%0.303SS..EExtended strand (participates in β ladder)trans-68.578.6-179.5-67.2-173.1177-173.10110.9L191L191-K264 PolarHBondContact O-N 3.36Å
265R74.5Confident73.2Confident0 Ų062.4 Ų62.40%030%0.298CS..  trans-87.7-25.8-178.4-74.6-179.8178.6-74.60.6113L193 L263 K275 I276 T278 S340 F341L193-R265 HydrophobicContact CD1-CB 4.42Å; L193-R265 HydrophobicContact CD1-CG 3.44Å; L193-R265 VanDerWaalsContact CD1-CG 3.44Å; L263-R265 HydrophobicContact CB-CG 4.34Å; L263-R265 PolarHBondContact O-N 2.77Å; R265-K275 CarbonylContact O-C 3.56Å; R265-K275 WeakPolarHBondContact O-CA 3.5Å; R265-I276 PolarHBondContact NH1-O 2.85Å; R265-I276 PolarHBondContact O-N 2.8Å; R265-T278 PolarHBondContact NH1-O 3.33Å; R265-T278 PolarHBondContact NH2-O 3.06Å; R265-S340 WeakPolarHBondContact CD-O 3.33Å; R265-S340 PolarHBondContact NE-O 2.77Å; R265-F341 HydrophobicContact CB-CD1 4.38Å; R265-F341 HydrophobicContact CB-CE1 3.55Å; R265-F341 HydrophobicContact CB-CE2 4.32Å; R265-F341 HydrophobicContact CB-CZ 3.55Å; R265-F341 HydrophobicContact CG-CE1 4.35Å; R265-F341 HydrophobicContact CG-CZ 4.22Å
266F72Confident72.1Confident41 Ų4163.3 Ų63.318%0.1830%0.302CS..EExtended strand (participates in β ladder)trans-91.9127179.5-65.6-48.8000110.2K275 H319 L323 F341F266-K275 HydrophobicContact CD1-CB 3.99Å; F266-K275 HydrophobicContact CD1-CG 3.98Å; F266-K275 HydrophobicContact CE1-CB 3.9Å; F266-K275 HydrophobicContact CE1-CD 3.87Å; F266-K275 HydrophobicContact CE1-CG 3.63Å; F266-H319 AromaticContact CZ-CD2 3.94Å; F266-H319 AromaticContact CZ-CE1 3.73Å; F266-H319 AromaticContact CZ-NE2 3.63Å; F266-L323 HydrophobicContact CB-CD1 4.03Å; F266-L323 HydrophobicContact CB-CD2 4.44Å; F266-L323 HydrophobicContact CD1-CD1 3.49Å; F266-L323 VanDerWaalsContact CD1-CD1 3.49Å; F266-L323 HydrophobicContact CD1-CD2 3.99Å; F266-L323 HydrophobicContact CD1-CG 3.51Å; F266-L323 HydrophobicContact CD2-CD2 3.76Å; F266-L323 HydrophobicContact CD2-CG 4.22Å; F266-L323 HydrophobicContact CE1-CD1 4.08Å; F266-L323 HydrophobicContact CE1-CD2 4.14Å; F266-L323 HydrophobicContact CE1-CG 3.6Å; F266-L323 HydrophobicContact CE2-CD2 3.9Å; F266-L323 HydrophobicContact CE2-CG 4.28Å; F266-L323 HydrophobicContact CG-CD1 3.8Å; F266-L323 HydrophobicContact CG-CD2 3.82Å; F266-L323 HydrophobicContact CG-CG 3.86Å; F266-L323 HydrophobicContact CZ-CD2 4.1Å; F266-L323 HydrophobicContact CZ-CG 4Å; F266-F341 HydrophobicContact CD1-CE1 4.21Å; F266-F341 HydrophobicContact CD1-CZ 4.24Å; F266-F341 HydrophobicContact CD2-CD1 4.14Å; F266-F341 AromaticContact CD2-CE1 3.31Å; F266-F341 HydrophobicContact CD2-CE1 3.31Å; F266-F341 HydrophobicContact CD2-CZ 4.05Å; F266-F341 AromaticContact CE1-CE1 3.93Å; F266-F341 HydrophobicContact CE1-CE1 3.93Å; F266-F341 AromaticContact CE1-CZ 3.64Å; F266-F341 HydrophobicContact CE1-CZ 3.64Å; F266-F341 AromaticContact CE2-CD1 3.75Å; F266-F341 HydrophobicContact CE2-CD1 3.75Å; F266-F341 AromaticContact CE2-CE1 2.95Å; F266-F341 HydrophobicContact CE2-CE1 2.95Å; F266-F341 AromaticContact CE2-CZ 3.44Å; F266-F341 HydrophobicContact CE2-CZ 3.44Å; F266-F341 VanDerWaalsContact CE2-CZ 3.44Å; F266-F341 AromaticContact CG-CE1 3.93Å; F266-F341 HydrophobicContact CG-CE1 3.93Å; F266-F341 HydrophobicContact CG-CZ 4.41Å; F266-F341 HydrophobicContact CZ-CD1 4.34Å; F266-F341 AromaticContact CZ-CE1 3.29Å; F266-F341 HydrophobicContact CZ-CE1 3.29Å; F266-F341 HydrophobicContact CZ-CE2 4.23Å; F266-F341 AromaticContact CZ-CZ 3.18Å; F266-F341 HydrophobicContact CZ-CZ 3.18Å
267S65Low70.9Confident44 Ų4468.5 Ų68.531%0.30833%0.326SS..EExtended strand (participates in β ladder)trans-120.7132.4165.8-175.90000108S274S267-S274 PolarHBondContact N-O 3.11Å; S267-S274 VanDerWaalsContact N-O 3.11Å; S267-S274 PolarHBondContact O-N 3.04Å
268S51.5Low69.7Low85 Ų8566.8 Ų66.859%0.59432%0.32SS*.EExtended strand (participates in β ladder)trans-11099.5174-670000108.3
269C47.3Very low68.5Low82 Ų8271 Ų7155%0.55434%0.342SS*.EExtended strand (participates in β ladder)trans-86.3147.7162.1-70.20000108.2N271 Y272C269-N271 PolarHBondContact O-N 3.38Å; C269-Y272 PolarHBondContact N-O 2.94Å; C269-Y272 CarbonylContact O-C 3.42Å; C269-Y272 PolarHBondContact O-N 3.23Å
270R45.5Very low67.2Low256 Ų25671.3 Ų71.397%0.96634%0.343SS*.THydrogen-bonded Turntrans-41.5-35.2-167.3-75.7-178.3176.3177.5-1116
271N52Low65.9Low143 Ų14374.2 Ų74.277%0.76536%0.363SS*.THydrogen-bonded Turntrans-115.3-5.6-178.3-60.4-17.1000114.5C269C269-N271 PolarHBondContact O-N 3.38Å
272Y50.9Low64.9Low184 Ų18474.6 Ų74.672%0.72237%0.365SS*.EExtended strand (participates in β ladder)trans-141.3118.8-175.8-62.8-77.7000110.4C269C269-Y272 PolarHBondContact N-O 2.94Å; C269-Y272 CarbonylContact O-C 3.42Å; C269-Y272 PolarHBondContact O-N 3.23Å
273R62.4Low63.6Low189 Ų18976.1 Ų76.171%0.71338%0.376SS*.EExtended strand (participates in β ladder)trans-89.7115.1166-67.8-177.6-178.1175.41.8107.7L323R273-L323 HydrophobicContact CB-CD1 3.78Å; R273-L323 HydrophobicContact CG-CD1 4.28Å
274S66.1Low62.3Low60 Ų6076.8 Ų76.842%0.4238%0.379SS..EExtended strand (participates in β ladder)trans-110.7149.7178.168.60000110.4S267S267-S274 PolarHBondContact N-O 3.11Å; S267-S274 VanDerWaalsContact N-O 3.11Å; S267-S274 PolarHBondContact O-N 3.04Å
275K72Confident61Low29 Ų2972.4 Ų72.413%0.12636%0.362CS..EExtended strand (participates in β ladder)trans-114.8124.9171.9-176.9-172.1-175.5-169.30107.9R265 F266 E277 H319 G321 F341R265-K275 CarbonylContact O-C 3.56Å; R265-K275 WeakPolarHBondContact O-CA 3.5Å; F266-K275 HydrophobicContact CD1-CB 3.99Å; F266-K275 HydrophobicContact CD1-CG 3.98Å; F266-K275 HydrophobicContact CE1-CB 3.9Å; F266-K275 HydrophobicContact CE1-CD 3.87Å; F266-K275 HydrophobicContact CE1-CG 3.63Å; K275-E277 HydrophobicContact CD-CG 4.48Å; K275-E277 PolarHBondContact O-N 2.52Å; K275-E277 VanDerWaalsContact O-N 3.15Å; K275-H319 PolarHBondContact NZ-ND1 3.1Å; K275-H319 PolarHBondContact NZ-O 3.39Å; K275-G321 WeakPolarHBondContact CD-O 3.32Å; K275-G321 WeakPolarHBondContact CE-O 3.38Å; K275-G321 PolarHBondContact NZ-O 3.45Å; K275-F341 HydrophobicContact CD-CZ 4.34Å; K275-F341 VanDerWaalsContact CE-CE2 3.48Å; K275-F341 HydrophobicContact CG-CZ 4.26Å
276I69.8Low59.5Low30 Ų3074.3 Ų74.315%0.15437%0.374CS..  trans-72.3106.4169.4-58.2174.6000107.3L193 R265 T278L193-I276 HydrophobicContact CB-CD1 4.01Å; L193-I276 HydrophobicContact CB-CG2 4.27Å; L193-I276 HydrophobicContact CD1-CB 4.16Å; L193-I276 HydrophobicContact CD1-CG2 3.83Å; R265-I276 PolarHBondContact NH1-O 2.85Å; R265-I276 PolarHBondContact O-N 2.8Å; I276-T278 VanDerWaalsContact C-N 3.27Å; I276-T278 WeakPolarHBondContact CG2-OG1 3.41Å; I276-T278 PolarHBondContact O-N 3.48Å
277E68.9Low58.2Low114 Ų11476.6 Ų76.653%0.53339%0.393SS..  trans-85.91.5-179.9-62.7-160.1145.700113.5K275 L279K275-E277 HydrophobicContact CD-CG 4.48Å; K275-E277 PolarHBondContact O-N 2.52Å; K275-E277 VanDerWaalsContact O-N 3.15Å; E277-L279 PolarHBondContact O-N 3.44Å; E277-L279 VanDerWaalsContact O-N 3.11Å
278T66Low57.2Low21 Ų2182.2 Ų82.213%0.12941%0.409CS..  trans-49.1119.7-178.2-57.70000110.7R265 I276 I280R265-T278 PolarHBondContact NH1-O 3.33Å; R265-T278 PolarHBondContact NH2-O 3.06Å; I276-T278 VanDerWaalsContact C-N 3.27Å; I276-T278 WeakPolarHBondContact CG2-OG1 3.41Å; I276-T278 PolarHBondContact O-N 3.48Å; T278-I280 PolarHBondContact O-N 2.95Å
279L66Low56.7Low88 Ų8888.5 Ų88.546%0.46142%0.419SS..  trans-69.7123.8175.6-69.4-179000108.8E277 V337 Q339E277-L279 PolarHBondContact O-N 3.44Å; E277-L279 VanDerWaalsContact O-N 3.11Å; L279-V337 HydrophobicContact CB-CG1 3.65Å; L279-V337 HydrophobicContact CD1-CG1 3.68Å; L279-V337 HydrophobicContact CD2-CG1 3.79Å; L279-V337 HydrophobicContact CG-CG1 3.89Å; L279-Q339 HydrophobicContact CD2-CG 4.46Å
280I63Low56.2Low6 Ų690.3 Ų90.33%0.03142%0.418CS..EExtended strand (participates in β ladder)trans-109.8126.3-176.1-70.8173.9000108.5L193 L222 L263 T278 F282L193-I280 HydrophobicContact CD1-CD1 3.79Å; L193-I280 HydrophobicContact CD2-CD1 3.19Å; L193-I280 HydrophobicContact CD2-CG1 4.48Å; L193-I280 HydrophobicContact CG-CD1 4.12Å; L222-I280 HydrophobicContact CD1-CG2 3.43Å; L222-I280 VanDerWaalsContact CD1-CG2 3.43Å; L222-I280 HydrophobicContact CD2-CG2 4.02Å; L222-I280 HydrophobicContact CG-CG2 3.35Å; L263-I280 HydrophobicContact CD1-CD1 3.7Å; L263-I280 HydrophobicContact CD2-CD1 4.23Å; L263-I280 HydrophobicContact CG-CD1 4.4Å; T278-I280 PolarHBondContact O-N 2.95Å; I280-F282 HydrophobicContact CG2-CD1 4.42Å
281S61.5Low56.1Low61 Ų6183.7 Ų83.743%0.42741%0.409SS..EExtended strand (participates in β ladder)trans-87.9127.8168.660.90000110.1G220G220-S281 PolarHBondContact O-N 2.81Å
282F64Low55.7Low12 Ų1281.8 Ų81.85%0.05341%0.406CS..  trans-124.5148.5169.945.5-93.5000109.3L222 I280 I284 L313 V316 I343 F345L222-F282 HydrophobicContact CD1-CB 3.88Å; I280-F282 HydrophobicContact CG2-CD1 4.42Å; F282-I284 HydrophobicContact CD2-CG1 4.12Å; F282-I284 HydrophobicContact CE2-CD1 4.15Å; F282-I284 HydrophobicContact CE2-CG1 4.03Å; F282-I284 PolarHBondContact O-N 2.96Å; F282-L313 HydrophobicContact CD2-CD2 4.06Å; F282-L313 HydrophobicContact CE2-CD2 3.48Å; F282-L313 VanDerWaalsContact CE2-CD2 3.48Å; F282-L313 HydrophobicContact CZ-CD2 4.45Å; F282-V316 HydrophobicContact CE2-CG2 4.34Å; F282-V316 HydrophobicContact CZ-CG2 4.19Å; F282-I343 HydrophobicContact CD1-CD1 3.67Å; F282-I343 HydrophobicContact CE1-CD1 3.84Å; F282-I343 HydrophobicContact CG-CD1 4.2Å; F282-F345 HydrophobicContact CB-CZ 4.47Å
283P57.9Low55.8Low43 Ų4381.5 Ų81.528%0.27940%0.404SS..  trans-62126.6179.124.8-33.9000110.7R293 M295P283-R293 HydrophobicContact CB-CB 4.42Å; P283-R293 WeakPolarHBondContact CB-O 3.47Å; P283-M295 HydrophobicContact CB-CB 4.46Å; P283-M295 HydrophobicContact CG-CB 3.49Å; P283-M295 VanDerWaalsContact CG-CB 3.49Å; P283-M295 HydrophobicContact CG-CG 3.64Å; P283-M295 HydrophobicContact CG-SD 4.33Å
284I54.7Low55.7Low14 Ų1475 Ų757%0.07238%0.383CS..  trans-110.6121.3170.7-69179.7000107.2F282 V286 R293 L313 L333 P334 L335 K336F282-I284 HydrophobicContact CD2-CG1 4.12Å; F282-I284 HydrophobicContact CE2-CD1 4.15Å; F282-I284 HydrophobicContact CE2-CG1 4.03Å; F282-I284 PolarHBondContact O-N 2.96Å; I284-V286 HydrophobicContact CG2-CG1 4.14Å; I284-V286 PolarHBondContact O-N 3.2Å; I284-R293 CarbonylContact C-O 3.52Å; I284-L313 HydrophobicContact CG1-CD2 4.2Å; I284-L333 HydrophobicContact CB-CD2 4.06Å; I284-L333 HydrophobicContact CD1-CD2 3.88Å; I284-L333 HydrophobicContact CG1-CD2 3.76Å; I284-L333 HydrophobicContact CG2-CD2 3.34Å; I284-P334 HydrophobicContact CD1-CB 4.3Å; I284-P334 HydrophobicContact CG2-CB 3.9Å; I284-L335 WeakPolarHBondContact CD1-O 3.5Å; I284-K336 HydrophobicContact CD1-CB 4.39Å; I284-K336 HydrophobicContact CD1-CG 4.05Å
285S49.7Very low55.9Low18 Ų1872.8 Ų72.813%0.12637%0.367CS..  trans-80.2112.6161.751.30000108.7N294 N312S285-N294 WeakPolarHBondContact CB-OD1 3.34Å; S285-N312 PolarHBondContact OG-OD1 3.41Å
286V44.2Very low56.1Low41 Ų4174.9 Ų74.925%0.24838%0.382CS..BIsolated β-bridgetrans-97.5116.4167.3-97.30000107.2I284 Y288 F290 P334I284-V286 HydrophobicContact CG2-CG1 4.14Å; I284-V286 PolarHBondContact O-N 3.2Å; V286-Y288 PolarHBondContact O-N 2.92Å; V286-F290 HydrophobicContact CG2-CB 4.44Å; V286-P334 HydrophobicContact CG1-CB 3.95Å; V286-P334 HydrophobicContact CG1-CG 4Å
287P43.8Very low56.6Low89 Ų8973.4 Ų73.458%0.57837%0.374SS*.THydrogen-bonded Turntrans-63.8-3.5-167.7-26.135.9000116.8A356P287-A356 HydrophobicContact CB-CB 3.54Å; P287-A356 HydrophobicContact CG-CB 3.48Å; P287-A356 VanDerWaalsContact CG-CB 3.48Å
288Y43.6Very low57.1Low162 Ų16269.7 Ų69.764%0.63536%0.36SS*.THydrogen-bonded Turntrans-131.5-6-169.3-73.9-75.6000116.4V286 A356V286-Y288 PolarHBondContact O-N 2.92Å; Y288-A356 HydrophobicContact CE2-CB 3.85Å
289W41.3Very low57.8Low216 Ų21675.9 Ų75.982%0.81839%0.386SS*.THydrogen-bonded Turntrans-136-18.1-176.5-92.576.6000115.8
290F37.1Very low58.6Low120 Ų12073.9 Ų73.953%0.52637%0.372SS..BIsolated β-bridgetrans-148.495.6177.2-76.8-84.6000110.5V286 S292V286-F290 HydrophobicContact CG2-CB 4.44Å; F290-S292 PolarHBondContact O-N 3.13Å; F290-S292 VanDerWaalsContact O-N 3.09Å
291P43.1Very low59.7Low118 Ų11874.3 Ų74.377%0.76638%0.375SS*.THydrogen-bonded Turntrans-65.2-9-178.9-20.132.4000114.8
292S43.2Very low61.1Low103 Ų10374.6 Ų74.672%0.7237%0.371SS*.THydrogen-bonded Turntrans-108.916.5-156.1-36.90000115.8F290F290-S292 PolarHBondContact O-N 3.13Å; F290-S292 VanDerWaalsContact O-N 3.09Å
293R53.4Low62.3Low177 Ų17775.2 Ų75.267%0.66838%0.375SS*.  trans-131.752.3179.2-64.1-168.5-176.3-169.12.2113.2P283 I284P283-R293 HydrophobicContact CB-CB 4.42Å; P283-R293 WeakPolarHBondContact CB-O 3.47Å; I284-R293 CarbonylContact C-O 3.52Å
294N61.1Low63.4Low52 Ų5278.1 Ų78.128%0.27839%0.393SS..  trans-70.5149.9159.7-60.7-27.5000109.4S285 V296 T310 N312S285-N294 WeakPolarHBondContact CB-OD1 3.34Å; N294-V296 PolarHBondContact O-N 3.17Å; N294-V296 VanDerWaalsContact O-N 3.07Å; N294-T310 HydrophobicContact CB-CG2 3.24Å; N294-T310 WeakPolarHBondContact ND2-CG2 3.33Å; N294-N312 PolarHBondContact OD1-OD1 2.66Å
295M69.9Low64.7Low15 Ų1585.6 Ų85.67%0.07443%0.426CS..EExtended strand (participates in β ladder)trans-75100.2171.4-164.5173.671.500108.7L259 I261 P283 M297 Y311 F345L259-M295 HydrophobicContact CD2-CE 3.78Å; I261-M295 HydrophobicContact CD1-CE 4.08Å; I261-M295 HydrophobicContact CD1-SD 4.35Å; P283-M295 HydrophobicContact CB-CB 4.46Å; P283-M295 HydrophobicContact CG-CB 3.49Å; P283-M295 VanDerWaalsContact CG-CB 3.49Å; P283-M295 HydrophobicContact CG-CG 3.64Å; P283-M295 HydrophobicContact CG-SD 4.33Å; M295-M297 HydrophobicContact CE-CG 3.52Å; M295-M297 HydrophobicContact CE-SD 3.61Å; M295-M297 HydrophobicContact CG-CG 4.11Å; M295-M297 HydrophobicContact CG-SD 4.07Å; M295-M297 PolarHBondContact O-N 3.06Å; M295-M297 HydrophobicContact SD-CG 4.39Å; M295-M297 HydrophobicContact SD-SD 3.97Å; M295-Y311 HydrophobicContact CE-CD2 4.32Å; M295-Y311 HydrophobicContact CE-CG 4.31Å; M295-Y311 PolarHBondContact N-O 3.4Å; M295-Y311 PolarHBondContact O-N 3.17Å; M295-F345 HydrophobicContact CB-CD1 4.49Å; M295-F345 HydrophobicContact CB-CE1 4.34Å; M295-F345 HydrophobicContact CE-CB 4.38Å; M295-F345 HydrophobicContact CE-CD1 3.96Å; M295-F345 HydrophobicContact CE-CD2 3.8Å; M295-F345 HydrophobicContact CE-CE1 4.13Å; M295-F345 HydrophobicContact CE-CE2 3.94Å; M295-F345 HydrophobicContact CE-CG 3.8Å; M295-F345 HydrophobicContact CE-CZ 4.12Å; M295-F345 HydrophobicContact SD-CD1 4.29Å; M295-F345 HydrophobicContact SD-CD2 4.43Å; M295-F345 HydrophobicContact SD-CE1 3.86Å; M295-F345 HydrophobicContact SD-CE2 3.99Å; M295-F345 HydrophobicContact SD-CZ 3.69Å
296V75.3Confident66.1Low72 Ų7286.4 Ų86.444%0.43643%0.431SS..EExtended strand (participates in β ladder)trans-84.5100.1175-178.20000108.3N294 W300 F309N294-V296 PolarHBondContact O-N 3.17Å; N294-V296 VanDerWaalsContact O-N 3.07Å; V296-W300 WeakPolarHBondContact O-CZ3 3.34Å; V296-F309 CarbonylContact C-O 3.45Å
297M80.2Confident67.5Low0 Ų087.5 Ų87.50%045%0.445CS..  trans-83.8-12.9179.6-70.5-70.2-70.700113.5L224 L252 L255 L259 M295 K299 W300 F309 Y311L224-M297 HydrophobicContact CD1-CE 4.13Å; L224-M297 HydrophobicContact CD1-SD 4.1Å; L252-M297 HydrophobicContact CD1-CE 3.87Å; L255-M297 HydrophobicContact CD1-CB 3.44Å; L255-M297 VanDerWaalsContact CD1-CB 3.44Å; L255-M297 HydrophobicContact CD1-CE 4.12Å; L255-M297 HydrophobicContact CD1-CG 4.11Å; L259-M297 HydrophobicContact CD2-CE 3.99Å; L259-M297 HydrophobicContact CD2-CG 4.38Å; M295-M297 HydrophobicContact CE-CG 3.52Å; M295-M297 HydrophobicContact CE-SD 3.61Å; M295-M297 HydrophobicContact CG-CG 4.11Å; M295-M297 HydrophobicContact CG-SD 4.07Å; M295-M297 PolarHBondContact O-N 3.06Å; M295-M297 HydrophobicContact SD-CG 4.39Å; M295-M297 HydrophobicContact SD-SD 3.97Å; M297-K299 PolarHBondContact O-N 3.43Å; M297-W300 HydrophobicContact CB-CE3 4.4Å; M297-W300 HydrophobicContact CE-CE3 4.43Å; M297-W300 PolarHBondContact O-N 2.95Å; M297-W300 HydrophobicContact SD-CE3 3.71Å; M297-W300 HydrophobicContact SD-CZ3 3.68Å; M297-F309 HydrophobicContact CB-CB 3.97Å; M297-F309 PolarHBondContact N-O 2.86Å; M297-Y311 HydrophobicContact CB-CD2 4.17Å; M297-Y311 HydrophobicContact CB-CE2 4.19Å; M297-Y311 HydrophobicContact CG-CD2 3.76Å; M297-Y311 HydrophobicContact CG-CE2 4.07Å
298S81Confident69.4Low35 Ų3587.2 Ų87.225%0.24544%0.444CS..G310 helixtrans-52.4-35.7-173-45.30000113.7W300 V301 S308 F309S298-W300 PolarHBondContact O-N 3.23Å; S298-V301 PolarHBondContact O-N 2.62Å; S298-S308 WeakPolarHBondContact OG-CA 3.32Å; S298-S308 PolarHBondContact OG-OG 2.83Å; S298-F309 PolarHBondContact OG-N 3.16Å
299K79.6Confident71.2Confident151 Ų15179.9 Ų79.966%0.65742%0.416SS*.G310 helixtrans-68.6-18.3-178.369178.6-175.4175.40114.8M297M297-K299 PolarHBondContact O-N 3.43Å
300W82.9Confident73.1Confident47 Ų4770.9 Ų70.918%0.17839%0.385CS..G310 helixtrans-101.1-6.4177.8-61.1-76.7000112.6L224 L252 V296 M297 S298L224-W300 HydrophobicContact CB-CD2 4.17Å; L224-W300 HydrophobicContact CB-CG 4.19Å; L224-W300 HydrophobicContact CB-CZ2 4.07Å; L224-W300 VanDerWaalsContact CB-NE1 3.34Å; L224-W300 HydrophobicContact CD1-CD2 4.07Å; L224-W300 HydrophobicContact CD1-CE3 4.22Å; L224-W300 HydrophobicContact CD1-CH2 4.2Å; L224-W300 HydrophobicContact CD1-CZ2 4.03Å; L224-W300 HydrophobicContact CD1-CZ3 4.3Å; L224-W300 PolarHBondContact O-NE1 3.06Å; L252-W300 HydrophobicContact CD1-CB 4.03Å; V296-W300 WeakPolarHBondContact O-CZ3 3.34Å; M297-W300 HydrophobicContact CB-CE3 4.4Å; M297-W300 HydrophobicContact CE-CE3 4.43Å; M297-W300 PolarHBondContact O-N 2.95Å; M297-W300 HydrophobicContact SD-CE3 3.71Å; M297-W300 HydrophobicContact SD-CZ3 3.68Å; S298-W300 PolarHBondContact O-N 3.23Å
301V87.1Confident75.1Confident14 Ų1465.2 Ų65.29%0.08536%0.36CS..BIsolated β-bridgetrans-87.5120.8175.7179.80000108.7L252 W253 L255 S298 N303 S306 F309L252-V301 HydrophobicContact CB-CG2 4.35Å; L252-V301 CarbonylContact O-C 3.49Å; L252-V301 VanDerWaalsContact O-CA 3.29Å; L252-V301 WeakPolarHBondContact O-CA 3.03Å; W253-V301 VanDerWaalsContact O-CG1 3.23Å; W253-V301 WeakPolarHBondContact O-CG1 3.21Å; L255-V301 HydrophobicContact CD1-CG2 3.57Å; L255-V301 HydrophobicContact CG-CG2 3.79Å; S298-V301 PolarHBondContact O-N 2.62Å; V301-N303 HydrophobicContact CG1-CB 4.2Å; V301-S306 WeakPolarHBondContact CG1-OG 3.5Å; V301-F309 HydrophobicContact CB-CD2 4.22Å; V301-F309 HydrophobicContact CB-CE2 4.15Å; V301-F309 HydrophobicContact CG1-CD2 4.45Å; V301-F309 HydrophobicContact CG1-CE2 3.87Å; V301-F309 HydrophobicContact CG2-CD2 3.69Å; V301-F309 HydrophobicContact CG2-CE2 3.83Å; V301-F309 HydrophobicContact CG2-CG 4.49Å
302I89.9Confident76.7Confident67 Ų6761.1 Ų61.134%0.34433%0.331SS..  trans-81.5-16.3-174.458.9160.3000113.4K168 D251 L252 W253 P304K168-I302 HydrophobicContact CB-CD1 3.99Å; K168-I302 HydrophobicContact CD-CD1 3.52Å; K168-I302 HydrophobicContact CG-CD1 4.38Å; D251-I302 HydrophobicContact CB-CD1 3.68Å; D251-I302 HydrophobicContact CB-CG1 4.13Å; D251-I302 HydrophobicContact CB-CG2 3.97Å; L252-I302 WeakPolarHBondContact O-CG1 3.5Å; L252-I302 PolarHBondContact O-N 3.03Å; W253-I302 HydrophobicContact CE3-CD1 3.82Å; W253-I302 HydrophobicContact CE3-CG1 3.85Å; W253-I302 HydrophobicContact CZ3-CD1 4.25Å; W253-I302 HydrophobicContact CZ3-CG1 4.41Å; I302-P304 WeakPolarHBondContact O-CD 3.4Å
303N89.3Confident78.3Confident26 Ų2656.6 Ų56.614%0.13930%0.299CS..  trans-72.1115.5-179.3178.5-10.1000110.7W253 V301 K305 S306W253-N303 HydrophobicContact CD2-CB 3.9Å; W253-N303 HydrophobicContact CE3-CB 4.09Å; W253-N303 HydrophobicContact CG-CB 4.43Å; W253-N303 HydrophobicContact CH2-CB 4.27Å; W253-N303 HydrophobicContact CZ2-CB 4.06Å; W253-N303 HydrophobicContact CZ3-CB 4.28Å; W253-N303 PolarHBondContact NE1-ND2 2.93Å; W253-N303 VanDerWaalsContact O-CB 3.24Å; W253-N303 WeakPolarHBondContact O-CB 3.33Å; V301-N303 HydrophobicContact CG1-CB 4.2Å; N303-K305 VanDerWaalsContact C-N 3.28Å; N303-K305 PolarHBondContact O-N 3.41Å; N303-K305 PolarHBondContact OD1-N 3.19Å; N303-S306 VanDerWaalsContact O-CB 3.24Å; N303-S306 WeakPolarHBondContact O-CB 3.36Å; N303-S306 PolarHBondContact O-N 2.97Å; N303-S306 VanDerWaalsContact O-N 3.17Å; N303-S306 PolarHBondContact O-OG 3.25Å
304P81.2Confident79.4Confident103 Ų10349.1 Ų49.167%0.66927%0.273SS*.THydrogen-bonded Turntrans-69.2-23.8-175.328.4-35.2000113.4I302 S306I302-P304 WeakPolarHBondContact O-CD 3.4Å; P304-S306 VanDerWaalsContact C-N 3.26Å; P304-S306 PolarHBondContact O-N 3.42Å
305K82.2Confident80.1Confident172 Ų17246.6 Ų46.675%0.74826%0.26SS*.THydrogen-bonded Turntrans-85.71.6178.4-64180-179.2173.10112.8N303N303-K305 VanDerWaalsContact C-N 3.28Å; N303-K305 PolarHBondContact O-N 3.41Å; N303-K305 PolarHBondContact OD1-N 3.19Å
306S78.6Confident80.5Confident35 Ų3546.2 Ų46.225%0.24526%0.258CS..PPolyproline II helixtrans-77.5135.2-171.374.20000112.4V301 N303 P304V301-S306 WeakPolarHBondContact CG1-OG 3.5Å; N303-S306 VanDerWaalsContact O-CB 3.24Å; N303-S306 WeakPolarHBondContact O-CB 3.36Å; N303-S306 PolarHBondContact O-N 2.97Å; N303-S306 VanDerWaalsContact O-N 3.17Å; N303-S306 PolarHBondContact O-OG 3.25Å; P304-S306 VanDerWaalsContact C-N 3.26Å; P304-S306 PolarHBondContact O-N 3.42Å
307A74.6Confident80.6Confident64 Ų6442.9 Ų42.953%0.52924%0.238SC..PPolyproline II helixtrans-66.9149.317600000110.7F309 R347A307-F309 WeakPolarHBondContact O-CD2 3.45Å; A307-F309 VanDerWaalsContact O-CE2 3.25Å; A307-F309 WeakPolarHBondContact O-CE2 3.44Å; A307-F309 PolarHBondContact O-N 3.45Å; A307-R347 PolarHBondContact O-NH2 3.47Å
308S82.8Confident80.4Confident82 Ų8243 Ų4357%0.57324%0.239SC*.PPolyproline II helixtrans-49.8126.5178-173.40000112.2S298 R347S298-S308 WeakPolarHBondContact OG-CA 3.32Å; S298-S308 PolarHBondContact OG-OG 2.83Å; S308-R347 PolarHBondContact O-NH2 3.01Å
309F81.7Confident79.8Confident9 Ų942.2 Ų42.24%0.03923%0.231CC..  trans-103.288.4-178.7-68.4-77.4000109.9L255 V296 M297 S298 V301 A307 Y311 R347L255-F309 HydrophobicContact CB-CD1 3.74Å; L255-F309 HydrophobicContact CB-CE1 3.71Å; L255-F309 HydrophobicContact CB-CG 4.35Å; L255-F309 HydrophobicContact CB-CZ 4.3Å; L255-F309 HydrophobicContact CD1-CB 4.03Å; L255-F309 HydrophobicContact CD1-CD1 4.15Å; L255-F309 HydrophobicContact CD1-CD2 4.31Å; L255-F309 HydrophobicContact CD1-CG 3.93Å; L255-F309 HydrophobicContact CG-CD1 4.33Å; L255-F309 HydrophobicContact CG-CE1 4.43Å; L255-F309 HydrophobicContact CG-CG 4.47Å; V296-F309 CarbonylContact C-O 3.45Å; M297-F309 HydrophobicContact CB-CB 3.97Å; M297-F309 PolarHBondContact N-O 2.86Å; S298-F309 PolarHBondContact OG-N 3.16Å; V301-F309 HydrophobicContact CB-CD2 4.22Å; V301-F309 HydrophobicContact CB-CE2 4.15Å; V301-F309 HydrophobicContact CG1-CD2 4.45Å; V301-F309 HydrophobicContact CG1-CE2 3.87Å; V301-F309 HydrophobicContact CG2-CD2 3.69Å; V301-F309 HydrophobicContact CG2-CE2 3.83Å; V301-F309 HydrophobicContact CG2-CG 4.49Å; A307-F309 WeakPolarHBondContact O-CD2 3.45Å; A307-F309 VanDerWaalsContact O-CE2 3.25Å; A307-F309 WeakPolarHBondContact O-CE2 3.44Å; A307-F309 PolarHBondContact O-N 3.45Å; F309-Y311 HydrophobicContact CB-CD2 4.46Å; F309-Y311 HydrophobicContact CB-CE2 3.91Å; F309-Y311 HydrophobicContact CD1-CE2 4.3Å; F309-R347 VanDerWaalsContact CE1-CZ 3.44Å
310T81.7Confident79.3Confident26 Ų2637.9 Ų37.916%0.1622%0.215CC..EExtended strand (participates in β ladder)trans-106.7125.8174.9-59.30000108.9N294 R347 Y348N294-T310 HydrophobicContact CB-CG2 3.24Å; N294-T310 WeakPolarHBondContact ND2-CG2 3.33Å; T310-R347 WeakPolarHBondContact O-CA 3.19Å; T310-Y348 PolarHBondContact O-N 3.39Å
311Y79.2Confident78.5Confident1 Ų137.4 Ų37.40%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-120.6142-174.2-79.4-84.2000112L255 P256 L259 M295 M297 F309 F345 F346 R347L255-Y311 HydrophobicContact CB-CE2 4.38Å; L255-Y311 WeakPolarHBondContact CB-OH 3.34Å; L255-Y311 HydrophobicContact CD1-CE2 3.97Å; P256-Y311 PolarHBondContact O-OH 3.07Å; L259-Y311 HydrophobicContact CB-CD1 4.14Å; L259-Y311 HydrophobicContact CB-CE1 3.71Å; L259-Y311 HydrophobicContact CD2-CE2 4.43Å; M295-Y311 HydrophobicContact CE-CD2 4.32Å; M295-Y311 HydrophobicContact CE-CG 4.31Å; M295-Y311 PolarHBondContact N-O 3.4Å; M295-Y311 PolarHBondContact O-N 3.17Å; M297-Y311 HydrophobicContact CB-CD2 4.17Å; M297-Y311 HydrophobicContact CB-CE2 4.19Å; M297-Y311 HydrophobicContact CG-CD2 3.76Å; M297-Y311 HydrophobicContact CG-CE2 4.07Å; F309-Y311 HydrophobicContact CB-CD2 4.46Å; F309-Y311 HydrophobicContact CB-CE2 3.91Å; F309-Y311 HydrophobicContact CD1-CE2 4.3Å; Y311-F345 HydrophobicContact CD1-CB 3.76Å; Y311-F345 HydrophobicContact CG-CB 4.08Å; Y311-F346 WeakPolarHBondContact CA-O 3.18Å; Y311-R347 HydrophobicContact CD1-CB 4.13Å; Y311-R347 HydrophobicContact CE1-CB 3.78Å; Y311-R347 HydrophobicContact CE1-CG 4.42Å
312N76.5Confident77.2Confident32 Ų3238.5 Ų38.517%0.17124%0.239CC..EExtended strand (participates in β ladder)trans-106139.5169.3-72.5-20.5000109.4S285 N294 V314 F345 F346 Y348S285-N312 PolarHBondContact OG-OD1 3.41Å; N294-N312 PolarHBondContact OD1-OD1 2.66Å; N312-V314 PolarHBondContact O-N 3.29Å; N312-F345 CarbonylContact O-C 3.52Å; N312-F345 WeakPolarHBondContact O-CA 3.27Å; N312-F346 PolarHBondContact N-O 3.28Å; N312-F346 PolarHBondContact O-N 2.94Å; N312-Y348 VanDerWaalsContact ND2-CD2 3.25Å; N312-Y348 WeakPolarHBondContact ND2-CD2 3.25Å
313L76.2Confident75.8Confident8 Ų838.1 Ų38.14%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-65.5137.2172.2-17768.7000109.7F282 I284 V316 L333 I343 L344 F345F282-L313 HydrophobicContact CD2-CD2 4.06Å; F282-L313 HydrophobicContact CE2-CD2 3.48Å; F282-L313 VanDerWaalsContact CE2-CD2 3.48Å; F282-L313 HydrophobicContact CZ-CD2 4.45Å; I284-L313 HydrophobicContact CG1-CD2 4.2Å; L313-V316 HydrophobicContact CD1-CG2 3.9Å; L313-V316 HydrophobicContact CD2-CG2 3.53Å; L313-V316 HydrophobicContact CG-CG2 4.14Å; L313-L333 HydrophobicContact CB-CD1 4.01Å; L313-L333 HydrophobicContact CB-CD2 3.92Å; L313-L333 HydrophobicContact CB-CG 4.07Å; L313-L333 HydrophobicContact CD2-CD2 3.27Å; L313-L333 HydrophobicContact CD2-CG 3.77Å; L313-L333 HydrophobicContact CG-CD1 4.4Å; L313-L333 HydrophobicContact CG-CD2 3.91Å; L313-L333 HydrophobicContact CG-CG 3.97Å; L313-L333 WeakPolarHBondContact O-CD1 3.49Å; L313-I343 HydrophobicContact CD1-CG2 3.13Å; L313-L344 WeakPolarHBondContact CD1-O 3.31Å; L313-F345 HydrophobicContact CB-CD1 4.05Å; L313-F345 HydrophobicContact CB-CE1 3.94Å; L313-F345 HydrophobicContact CD1-CD1 4.06Å; L313-F345 HydrophobicContact CD1-CE1 3.79Å; L313-F345 HydrophobicContact CD1-CE2 4.32Å; L313-F345 HydrophobicContact CD1-CG 4.42Å; L313-F345 HydrophobicContact CD1-CZ 3.94Å; L313-F345 HydrophobicContact CG-CE1 4.49Å
314V76.6Confident74.2Confident20 Ų2040.7 Ų40.712%0.12127%0.271CS..EExtended strand (participates in β ladder)trans-106.6-58.2174.8177.40000109.6N42 N312 I332 L344 F346N42-V314 HydrophobicContact CB-CG1 4.18Å; N42-V314 WeakPolarHBondContact O-CG1 3.32Å; N312-V314 PolarHBondContact O-N 3.29Å; V314-I332 WeakPolarHBondContact O-CG2 3.39Å; V314-L344 PolarHBondContact N-O 3.39Å; V314-F346 HydrophobicContact CG2-CB 3.31Å; V314-F346 HydrophobicContact CG2-CG 4.49Å
315S76.4Confident73.2Confident0 Ų040.3 Ų40.30%028%0.276CS..EExtended strand (participates in β ladder)trans-148.8156-172.356.60000111.2C39 L344C39-S315 VanDerWaalsContact CA-OG 3.29Å; C39-S315 WeakPolarHBondContact CA-OG 3.43Å; C39-S315 WeakPolarHBondContact CB-OG 3.42Å; C39-S315 PolarHBondContact O-OG 3.29Å; C39-S315 VanDerWaalsContact O-OG 3.05Å; S315-L344 PolarHBondContact N-O 3.12Å; S315-L344 PolarHBondContact O-N 3.35Å; S315-L344 WeakPolarHBondContact OG-CB 3.39Å
316V77.3Confident72Confident6 Ų633.3 Ų33.34%0.03625%0.252CS..EExtended strand (participates in β ladder)trans-135.1126.8-177.8-176.20000108.3F282 L313 N318 A331 S340 V342 I343F282-V316 HydrophobicContact CE2-CG2 4.34Å; F282-V316 HydrophobicContact CZ-CG2 4.19Å; L313-V316 HydrophobicContact CD1-CG2 3.9Å; L313-V316 HydrophobicContact CD2-CG2 3.53Å; L313-V316 HydrophobicContact CG-CG2 4.14Å; V316-N318 VanDerWaalsContact CG1-OD1 3.23Å; V316-N318 WeakPolarHBondContact CG1-OD1 3.16Å; V316-A331 PolarHBondContact N-O 2.99Å; V316-A331 PolarHBondContact O-N 3.15Å; V316-S340 VanDerWaalsContact CG1-CB 3.5Å; V316-S340 WeakPolarHBondContact CG1-OG 3.47Å; V316-V342 CarbonylContact C-O 3.49Å; V316-V342 WeakPolarHBondContact CA-O 3.3Å; V316-I343 HydrophobicContact CG2-CG2 4.37Å
317C78.3Confident71.2Confident2 Ų234.3 Ų34.31%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-91.6111166.4-173.10000108.2S35 F341 V342S35-C317 WeakPolarHBondContact CB-SG 3.46Å; C317-F341 PolarHBondContact O-N 3.42Å; C317-V342 HydrophobicContact CB-CB 3.97Å; C317-V342 PolarHBondContact N-O 3.02Å; C317-V342 PolarHBondContact O-N 2.78Å
318N75Confident70.4Confident4 Ų431.5 Ų31.52%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-95.7151.6173.3-56.9-55.6000109.6V316 C328 K329 A331 M338 S340V316-N318 VanDerWaalsContact CG1-OD1 3.23Å; V316-N318 WeakPolarHBondContact CG1-OD1 3.16Å; N318-C328 CarbonylContact O-C 3.58Å; N318-C328 WeakPolarHBondContact O-CA 3.48Å; N318-K329 PolarHBondContact N-O 3.3Å; N318-K329 PolarHBondContact O-N 3.28Å; N318-A331 WeakPolarHBondContact ND2-CB 3.15Å; N318-M338 VanDerWaalsContact CG-SD 3.5Å; N318-M338 PolarHBondContact ND2-SD 3.01Å; N318-M338 VanDerWaalsContact OD1-CB 3.22Å; N318-M338 WeakPolarHBondContact OD1-CB 3.38Å; N318-M338 PolarHBondContact OD1-SD 3.14Å; N318-M338 VanDerWaalsContact OD1-SD 3.4Å; N318-S340 PolarHBondContact OD1-OG 3.07Å
319H69.1Low69.3Low17 Ų1731.2 Ų31.28%0.07922%0.218CC..EExtended strand (participates in β ladder)trans-133.5124170.1171.1-55.1000108.2F266 K275 G321 G326 C328 Q339 F341F266-H319 AromaticContact CZ-CD2 3.94Å; F266-H319 AromaticContact CZ-CE1 3.73Å; F266-H319 AromaticContact CZ-NE2 3.63Å; K275-H319 PolarHBondContact NZ-ND1 3.1Å; K275-H319 PolarHBondContact NZ-O 3.39Å; H319-G321 PolarHBondContact CE1-O 2.91Å; H319-G321 PolarHBondContact ND1-O 2.95Å; H319-G326 VanDerWaalsContact CE1-CA 3.48Å; H319-G326 WeakPolarHBondContact CE1-CA 3.43Å; H319-C328 PolarHBondContact CD2-SG 2.8Å; H319-Q339 PolarHBondContact N-O 3.49Å; H319-Q339 PolarHBondContact O-OE1 3.23Å; H319-F341 HydrophobicContact CB-CD2 3.37Å; H319-F341 HydrophobicContact CB-CE2 3.45Å; H319-F341 VanDerWaalsContact CB-CE2 3.45Å; H319-F341 HydrophobicContact CB-CG 4.14Å; H319-F341 HydrophobicContact CB-CZ 4.27Å; H319-F341 AromaticContact CG-CE2 3.96Å
320D68.7Low68.1Low60 Ų6031.3 Ų31.332%0.32122%0.221SC..EExtended strand (participates in β ladder)trans-98147.2174.1-59.5-31.2000108.6G326 H327 K329D320-G326 CarbonylContact O-C 3.6Å; D320-G326 WeakPolarHBondContact O-CA 3.44Å; D320-H327 PolarHBondContact N-O 3.4Å; D320-H327 PolarHBondContact O-N 3.12Å; D320-K329 IonicContact OD2-NZ 2.77Å; D320-K329 PolarHBondContact OD2-NZ 2.95Å
321G66.2Low66.9Low38 Ų3830.9 Ų30.939%0.39222%0.22SC..SBendtrans80.5-176.3-178.800000114.7K275 H319K275-G321 WeakPolarHBondContact CD-O 3.32Å; K275-G321 WeakPolarHBondContact CE-O 3.38Å; K275-G321 PolarHBondContact NZ-O 3.45Å; H319-G321 PolarHBondContact CE1-O 2.91Å; H319-G321 PolarHBondContact ND1-O 2.95Å
322G60.1Low65.9Low37 Ų3731 Ų3138%0.38122%0.221SC..  trans-96.6175.1-179.900000113.8G324 A325 G326G322-G324 PolarHBondContact O-N 3.42Å; G322-A325 PolarHBondContact O-N 3.35Å; G322-G326 VanDerWaalsContact O-CA 3.32Å; G322-G326 WeakPolarHBondContact O-CA 3.37Å; G322-G326 PolarHBondContact O-N 3.23Å
323L60.8Low65Low58 Ų5830.5 Ų30.530%0.30422%0.218SC..THydrogen-bonded Turntrans-57-23.5-174.8-81.9146.8000115.4F266 R273F266-L323 HydrophobicContact CB-CD1 4.03Å; F266-L323 HydrophobicContact CB-CD2 4.44Å; F266-L323 HydrophobicContact CD1-CD1 3.49Å; F266-L323 VanDerWaalsContact CD1-CD1 3.49Å; F266-L323 HydrophobicContact CD1-CD2 3.99Å; F266-L323 HydrophobicContact CD1-CG 3.51Å; F266-L323 HydrophobicContact CD2-CD2 3.76Å; F266-L323 HydrophobicContact CD2-CG 4.22Å; F266-L323 HydrophobicContact CE1-CD1 4.08Å; F266-L323 HydrophobicContact CE1-CD2 4.14Å; F266-L323 HydrophobicContact CE1-CG 3.6Å; F266-L323 HydrophobicContact CE2-CD2 3.9Å; F266-L323 HydrophobicContact CE2-CG 4.28Å; F266-L323 HydrophobicContact CG-CD1 3.8Å; F266-L323 HydrophobicContact CG-CD2 3.82Å; F266-L323 HydrophobicContact CG-CG 3.86Å; F266-L323 HydrophobicContact CZ-CD2 4.1Å; F266-L323 HydrophobicContact CZ-CG 4Å; R273-L323 HydrophobicContact CB-CD1 3.78Å; R273-L323 HydrophobicContact CG-CD1 4.28Å
324G54.5Low63.6Low81 Ų8132.2 Ų32.284%0.83523%0.23SC*.THydrogen-bonded Turntrans-91.6-16.3-176.600000115.8G322G322-G324 PolarHBondContact O-N 3.42Å
325A60.1Low62.2Low95 Ų9534.9 Ų34.979%0.78524%0.243SC*.THydrogen-bonded Turntrans-155.533.2-17600000112G322G322-A325 PolarHBondContact O-N 3.35Å
326G58.3Low60.9Low24 Ų2441.8 Ų41.825%0.24727%0.273CS..  trans-75152.9-176.900000113.1H319 D320 G322H319-G326 VanDerWaalsContact CE1-CA 3.48Å; H319-G326 WeakPolarHBondContact CE1-CA 3.43Å; D320-G326 CarbonylContact O-C 3.6Å; D320-G326 WeakPolarHBondContact O-CA 3.44Å; G322-G326 VanDerWaalsContact O-CA 3.32Å; G322-G326 WeakPolarHBondContact O-CA 3.37Å; G322-G326 PolarHBondContact O-N 3.23Å
327H61.5Low59.5Low57 Ų5745.3 Ų45.326%0.26430%0.295SS..EExtended strand (participates in β ladder)trans-121.8117.3173.1-164.983.6000110.2D320 C367D320-H327 PolarHBondContact N-O 3.4Å; D320-H327 PolarHBondContact O-N 3.12Å; H327-C367 PolarHBondContact NE2-SG 3.31Å; H327-C367 VanDerWaalsContact NE2-SG 3.37Å
328C56.6Low58.5Low5 Ų547.3 Ų47.33%0.03430%0.304CS..EExtended strand (participates in β ladder)trans-85.9138.8174.6-59.30000111.1C31 F32 S35 N318 H319C31-C328 HydrophobicContact CB-CB 4.49Å; C31-C328 PolarHBondContact SG-N 2.89Å; F32-C328 HydrophobicContact CB-CB 4.37Å; S35-C328 VanDerWaalsContact OG-CB 3.32Å; S35-C328 WeakPolarHBondContact OG-CB 3.29Å; S35-C328 PolarHBondContact OG-O 3.37Å; S35-C328 VanDerWaalsContact OG-O 3.11Å; N318-C328 CarbonylContact O-C 3.58Å; N318-C328 WeakPolarHBondContact O-CA 3.48Å; H319-C328 PolarHBondContact CD2-SG 2.8Å
329K61.2Low57.5Low76 Ų7648.9 Ų48.933%0.3331%0.311SS..EExtended strand (participates in β ladder)trans-129.2125.6173.4-60.9174.9-175.1146.80109.6S35 N318 D320S35-K329 VanDerWaalsContact OG-C 3.29Å; S35-K329 WeakPolarHBondContact OG-CA 3.38Å; S35-K329 PolarHBondContact OG-N 2.71Å; N318-K329 PolarHBondContact N-O 3.3Å; N318-K329 PolarHBondContact O-N 3.28Å; D320-K329 IonicContact OD2-NZ 2.77Å; D320-K329 PolarHBondContact OD2-NZ 2.95Å
330G55Low56.8Low10 Ų1048 Ų4810%0.10331%0.307CS..EExtended strand (participates in β ladder)trans-74.9122.816500000109.8S35S35-G330 PolarHBondContact OG-N 3.33Å; S35-G330 VanDerWaalsContact OG-N 3.15Å
331A58.3Low56.5Low17 Ų1745.2 Ų45.214%0.1429%0.292CS..EExtended strand (participates in β ladder)trans-116.6141.9170.400000109.5V316 N318V316-A331 PolarHBondContact N-O 2.99Å; V316-A331 PolarHBondContact O-N 3.15Å; N318-A331 WeakPolarHBondContact ND2-CB 3.15Å
332I57.2Low56.5Low4 Ų443.4 Ų43.42%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-117.4129.4171.5-52.3162.9000103.1N42 V314 V359 I362N42-I332 HydrophobicContact CB-CD1 4.15Å; N42-I332 WeakPolarHBondContact ND2-CD1 3.48Å; N42-I332 WeakPolarHBondContact OD1-CD1 3.49Å; V314-I332 WeakPolarHBondContact O-CG2 3.39Å; I332-V359 HydrophobicContact CB-CG1 4.38Å; I332-V359 HydrophobicContact CG2-CB 4.05Å; I332-V359 HydrophobicContact CG2-CG1 3.39Å; I332-V359 HydrophobicContact CG2-CG2 3.92Å; I332-I362 HydrophobicContact CB-CB 4.4Å; I332-I362 HydrophobicContact CD1-CB 3.94Å; I332-I362 HydrophobicContact CD1-CD1 3.28Å; I332-I362 HydrophobicContact CD1-CG1 4.1Å; I332-I362 HydrophobicContact CD1-CG2 3.61Å; I332-I362 HydrophobicContact CG1-CD1 4.5Å; I332-I362 HydrophobicContact CG1-CG2 4.35Å
333L57.6Low56.9Low21 Ų2141.7 Ų41.711%0.1126%0.256CS..SBendtrans-17.9149.8-171.4-81.1169.4000118.8I284 L313 V359I284-L333 HydrophobicContact CB-CD2 4.06Å; I284-L333 HydrophobicContact CD1-CD2 3.88Å; I284-L333 HydrophobicContact CG1-CD2 3.76Å; I284-L333 HydrophobicContact CG2-CD2 3.34Å; L313-L333 HydrophobicContact CB-CD1 4.01Å; L313-L333 HydrophobicContact CB-CD2 3.92Å; L313-L333 HydrophobicContact CB-CG 4.07Å; L313-L333 HydrophobicContact CD2-CD2 3.27Å; L313-L333 HydrophobicContact CD2-CG 3.77Å; L313-L333 HydrophobicContact CG-CD1 4.4Å; L313-L333 HydrophobicContact CG-CD2 3.91Å; L313-L333 HydrophobicContact CG-CG 3.97Å; L313-L333 WeakPolarHBondContact O-CD1 3.49Å; L333-V359 HydrophobicContact CB-CG1 3.67Å
334P47.3Very low57.4Low44 Ų4438.9 Ų38.929%0.28624%0.241SC..  cis-126.5107.45.834.2-15.3000112.2I284 V286 Q363I284-P334 HydrophobicContact CD1-CB 4.3Å; I284-P334 HydrophobicContact CG2-CB 3.9Å; V286-P334 HydrophobicContact CG1-CB 3.95Å; V286-P334 HydrophobicContact CG1-CG 4Å; P334-Q363 VanDerWaalsContact CD-NE2 3.28Å
335L47.6Very low58.1Low77 Ų7735.1 Ų35.140%0.40320%0.202SC..  trans-112.8108.7167.5-73.2161.6000107.6I284 V337 M338I284-L335 WeakPolarHBondContact CD1-O 3.5Å; L335-V337 PolarHBondContact O-N 3.1Å; L335-M338 HydrophobicContact CB-CE 3.88Å; L335-M338 HydrophobicContact CB-CG 3.68Å; L335-M338 HydrophobicContact CB-SD 3.27Å; L335-M338 WeakPolarHBondContact CB-SD 3.48Å; L335-M338 HydrophobicContact CD1-CE 3.2Å; L335-M338 HydrophobicContact CD1-SD 3.59Å; L335-M338 VanDerWaalsContact CD1-SD 3.59Å; L335-M338 HydrophobicContact CG-CE 4.03Å; L335-M338 HydrophobicContact CG-SD 4.01Å
336K47.5Very low58.7Low145 Ų14532.5 Ų32.563%0.6317%0.173SC*.SBendtrans-64-17.4-171.7-74.5-179.3176.7175.50114.1I284I284-K336 HydrophobicContact CD1-CB 4.39Å; I284-K336 HydrophobicContact CD1-CG 4.05Å
337V48.8Very low59.4Low80 Ų8033.2 Ų33.249%0.48517%0.168SC..EExtended strand (participates in β ladder)trans-151.1112.9-169.8-178.60000108.5L279 L335L279-V337 HydrophobicContact CB-CG1 3.65Å; L279-V337 HydrophobicContact CD1-CG1 3.68Å; L279-V337 HydrophobicContact CD2-CG1 3.79Å; L279-V337 HydrophobicContact CG-CG1 3.89Å; L335-V337 PolarHBondContact O-N 3.1Å
338M56.8Low59.4Low44 Ų4434.2 Ų34.222%0.21717%0.17CC..EExtended strand (participates in β ladder)trans-149.5161.2178.1-56.4-165.8101.500112.6N318 L335 S340N318-M338 VanDerWaalsContact CG-SD 3.5Å; N318-M338 PolarHBondContact ND2-SD 3.01Å; N318-M338 VanDerWaalsContact OD1-CB 3.22Å; N318-M338 WeakPolarHBondContact OD1-CB 3.38Å; N318-M338 PolarHBondContact OD1-SD 3.14Å; N318-M338 VanDerWaalsContact OD1-SD 3.4Å; L335-M338 HydrophobicContact CB-CE 3.88Å; L335-M338 HydrophobicContact CB-CG 3.68Å; L335-M338 HydrophobicContact CB-SD 3.27Å; L335-M338 WeakPolarHBondContact CB-SD 3.48Å; L335-M338 HydrophobicContact CD1-CE 3.2Å; L335-M338 HydrophobicContact CD1-SD 3.59Å; L335-M338 VanDerWaalsContact CD1-SD 3.59Å; L335-M338 HydrophobicContact CG-CE 4.03Å; L335-M338 HydrophobicContact CG-SD 4.01Å; M338-S340 WeakPolarHBondContact CB-OG 3.44Å; M338-S340 PolarHBondContact O-N 3.39Å
339Q53.5Low59.4Low36 Ų3641.7 Ų41.717%0.16820%0.198CC..  trans-76.662.4165.7-66.8-174.2-11.700110.3L279 H319 F341L279-Q339 HydrophobicContact CD2-CG 4.46Å; H319-Q339 PolarHBondContact N-O 3.49Å; H319-Q339 PolarHBondContact O-OE1 3.23Å; Q339-F341 WeakPolarHBondContact O-CD2 3.39Å
340S55.4Low58.5Low0 Ų046.8 Ų46.80%022%0.22CC..EExtended strand (participates in β ladder)trans-76.3134.4-178.1-53.10000111.3L263 R265 V316 N318 M338L263-S340 WeakPolarHBondContact CD1-O 3.28Å; R265-S340 WeakPolarHBondContact CD-O 3.33Å; R265-S340 PolarHBondContact NE-O 2.77Å; V316-S340 VanDerWaalsContact CG1-CB 3.5Å; V316-S340 WeakPolarHBondContact CG1-OG 3.47Å; N318-S340 PolarHBondContact OD1-OG 3.07Å; M338-S340 WeakPolarHBondContact CB-OG 3.44Å; M338-S340 PolarHBondContact O-N 3.39Å
341F61.9Low57.8Low0 Ų057.8 Ų57.80%026%0.258CS..EExtended strand (participates in β ladder)trans-99.1-45175.7-85.1-99.8000111H262 L263 R265 F266 K275 C317 H319 Q339H262-F341 CarbonylContact C-O 3.33Å; H262-F341 VanDerWaalsContact CA-O 3.31Å; H262-F341 WeakPolarHBondContact CA-O 3.28Å; H262-F341 PolarHBondContact CD2-O 3.48Å; H262-F341 VanDerWaalsContact CD2-O 3.29Å; L263-F341 PolarHBondContact N-O 2.92Å; R265-F341 HydrophobicContact CB-CD1 4.38Å; R265-F341 HydrophobicContact CB-CE1 3.55Å; R265-F341 HydrophobicContact CB-CE2 4.32Å; R265-F341 HydrophobicContact CB-CZ 3.55Å; R265-F341 HydrophobicContact CG-CE1 4.35Å; R265-F341 HydrophobicContact CG-CZ 4.22Å; F266-F341 HydrophobicContact CD1-CE1 4.21Å; F266-F341 HydrophobicContact CD1-CZ 4.24Å; F266-F341 HydrophobicContact CD2-CD1 4.14Å; F266-F341 AromaticContact CD2-CE1 3.31Å; F266-F341 HydrophobicContact CD2-CE1 3.31Å; F266-F341 HydrophobicContact CD2-CZ 4.05Å; F266-F341 AromaticContact CE1-CE1 3.93Å; F266-F341 HydrophobicContact CE1-CE1 3.93Å; F266-F341 AromaticContact CE1-CZ 3.64Å; F266-F341 HydrophobicContact CE1-CZ 3.64Å; F266-F341 AromaticContact CE2-CD1 3.75Å; F266-F341 HydrophobicContact CE2-CD1 3.75Å; F266-F341 AromaticContact CE2-CE1 2.95Å; F266-F341 HydrophobicContact CE2-CE1 2.95Å; F266-F341 AromaticContact CE2-CZ 3.44Å; F266-F341 HydrophobicContact CE2-CZ 3.44Å; F266-F341 VanDerWaalsContact CE2-CZ 3.44Å; F266-F341 AromaticContact CG-CE1 3.93Å; F266-F341 HydrophobicContact CG-CE1 3.93Å; F266-F341 HydrophobicContact CG-CZ 4.41Å; F266-F341 HydrophobicContact CZ-CD1 4.34Å; F266-F341 AromaticContact CZ-CE1 3.29Å; F266-F341 HydrophobicContact CZ-CE1 3.29Å; F266-F341 HydrophobicContact CZ-CE2 4.23Å; F266-F341 AromaticContact CZ-CZ 3.18Å; F266-F341 HydrophobicContact CZ-CZ 3.18Å; K275-F341 HydrophobicContact CD-CZ 4.34Å; K275-F341 VanDerWaalsContact CE-CE2 3.48Å; K275-F341 HydrophobicContact CG-CZ 4.26Å; C317-F341 PolarHBondContact O-N 3.42Å; H319-F341 HydrophobicContact CB-CD2 3.37Å; H319-F341 HydrophobicContact CB-CE2 3.45Å; H319-F341 VanDerWaalsContact CB-CE2 3.45Å; H319-F341 HydrophobicContact CB-CG 4.14Å; H319-F341 HydrophobicContact CB-CZ 4.27Å; H319-F341 AromaticContact CG-CE2 3.96Å; Q339-F341 WeakPolarHBondContact O-CD2 3.39Å
342V65.8Low57Low1 Ų158.3 Ų58.31%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-129.8132.8-179.3-172.40000109Q107 M110 V260 I261 V316 C317 L344Q107-V342 HydrophobicContact CB-CG2 4.47Å; M110-V342 HydrophobicContact CE-CG1 4.37Å; M110-V342 HydrophobicContact CG-CG1 4.3Å; V260-V342 HydrophobicContact CG1-CG1 3.47Å; V260-V342 VanDerWaalsContact CG1-CG1 3.47Å; I261-V342 CarbonylContact O-C 3.45Å; I261-V342 WeakPolarHBondContact O-CA 3.27Å; V316-V342 CarbonylContact C-O 3.49Å; V316-V342 WeakPolarHBondContact CA-O 3.3Å; C317-V342 HydrophobicContact CB-CB 3.97Å; C317-V342 PolarHBondContact N-O 3.02Å; C317-V342 PolarHBondContact O-N 2.78Å; V342-L344 HydrophobicContact CG1-CD1 3.79Å
343I70.3Confident56Low0 Ų065.6 Ų65.60%030%0.297CS..EExtended strand (participates in β ladder)trans-128.2119.3-175.7-50.5179000107.7I261 L263 F282 L313 V316 F345I261-I343 HydrophobicContact CB-CB 4.41Å; I261-I343 PolarHBondContact N-O 2.91Å; I261-I343 PolarHBondContact O-N 3.44Å; L263-I343 HydrophobicContact CD1-CD1 3.78Å; L263-I343 HydrophobicContact CD1-CG1 4.49Å; L263-I343 HydrophobicContact CG-CD1 4.35Å; F282-I343 HydrophobicContact CD1-CD1 3.67Å; F282-I343 HydrophobicContact CE1-CD1 3.84Å; F282-I343 HydrophobicContact CG-CD1 4.2Å; L313-I343 HydrophobicContact CD1-CG2 3.13Å; V316-I343 HydrophobicContact CG2-CG2 4.37Å; I343-F345 HydrophobicContact CB-CE2 3.88Å; I343-F345 HydrophobicContact CG2-CD2 3.9Å; I343-F345 HydrophobicContact CG2-CE1 4.38Å; I343-F345 HydrophobicContact CG2-CE2 3.17Å; I343-F345 HydrophobicContact CG2-CZ 3.46Å; I343-F345 VanDerWaalsContact CG2-CZ 3.46Å
344L70.6Confident55.2Low0 Ų072.1 Ų72.10%033%0.331CS..EExtended strand (participates in β ladder)trans-102.7126.1179.8-79.172.2000109.5C39 L40 V43 M110 V260 L313 V314 S315 V342C39-L344 HydrophobicContact CB-CD1 3.97Å; C39-L344 HydrophobicContact CB-CD2 4.25Å; L40-L344 HydrophobicContact CD2-CD2 4.22Å; V43-L344 HydrophobicContact CG2-CD2 3.62Å; M110-L344 HydrophobicContact CE-CD1 4.38Å; V260-L344 HydrophobicContact CG1-CD1 4.26Å; V260-L344 HydrophobicContact CG2-CG 4.17Å; L313-L344 WeakPolarHBondContact CD1-O 3.31Å; V314-L344 PolarHBondContact N-O 3.39Å; S315-L344 PolarHBondContact N-O 3.12Å; S315-L344 PolarHBondContact O-N 3.35Å; S315-L344 WeakPolarHBondContact OG-CB 3.39Å; V342-L344 HydrophobicContact CG1-CD1 3.79Å
345F69.8Low54.9Low1 Ų175.3 Ų75.30%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-116.5141.2174.9-64.5-93000111.1V258 L259 I261 F282 M295 Y311 N312 L313 I343V258-F345 CarbonylContact C-O 3.57Å; V258-F345 VanDerWaalsContact CA-O 3.27Å; V258-F345 WeakPolarHBondContact CA-O 3.43Å; L259-F345 HydrophobicContact CB-CB 4.39Å; L259-F345 PolarHBondContact N-O 3.37Å; L259-F345 PolarHBondContact O-N 3.12Å; I261-F345 HydrophobicContact CD1-CD2 4.13Å; I261-F345 HydrophobicContact CD1-CE2 3.79Å; I261-F345 HydrophobicContact CG1-CD2 4.3Å; I261-F345 HydrophobicContact CG1-CE2 4.24Å; F282-F345 HydrophobicContact CB-CZ 4.47Å; M295-F345 HydrophobicContact CB-CD1 4.49Å; M295-F345 HydrophobicContact CB-CE1 4.34Å; M295-F345 HydrophobicContact CE-CB 4.38Å; M295-F345 HydrophobicContact CE-CD1 3.96Å; M295-F345 HydrophobicContact CE-CD2 3.8Å; M295-F345 HydrophobicContact CE-CE1 4.13Å; M295-F345 HydrophobicContact CE-CE2 3.94Å; M295-F345 HydrophobicContact CE-CG 3.8Å; M295-F345 HydrophobicContact CE-CZ 4.12Å; M295-F345 HydrophobicContact SD-CD1 4.29Å; M295-F345 HydrophobicContact SD-CD2 4.43Å; M295-F345 HydrophobicContact SD-CE1 3.86Å; M295-F345 HydrophobicContact SD-CE2 3.99Å; M295-F345 HydrophobicContact SD-CZ 3.69Å; Y311-F345 HydrophobicContact CD1-CB 3.76Å; Y311-F345 HydrophobicContact CG-CB 4.08Å; N312-F345 CarbonylContact O-C 3.52Å; N312-F345 WeakPolarHBondContact O-CA 3.27Å; L313-F345 HydrophobicContact CB-CD1 4.05Å; L313-F345 HydrophobicContact CB-CE1 3.94Å; L313-F345 HydrophobicContact CD1-CD1 4.06Å; L313-F345 HydrophobicContact CD1-CE1 3.79Å; L313-F345 HydrophobicContact CD1-CE2 4.32Å; L313-F345 HydrophobicContact CD1-CG 4.42Å; L313-F345 HydrophobicContact CD1-CZ 3.94Å; L313-F345 HydrophobicContact CG-CE1 4.49Å; I343-F345 HydrophobicContact CB-CE2 3.88Å; I343-F345 HydrophobicContact CG2-CD2 3.9Å; I343-F345 HydrophobicContact CG2-CE1 4.38Å; I343-F345 HydrophobicContact CG2-CE2 3.17Å; I343-F345 HydrophobicContact CG2-CZ 3.46Å; I343-F345 VanDerWaalsContact CG2-CZ 3.46Å
346F72.8Confident54.4Low40 Ų4072.6 Ų72.618%0.17533%0.329CS..EExtended strand (participates in β ladder)trans-109.9134.9174.1-176.7-110.7000110.5P45 E257 V258 Y311 N312 V314 Y348P45-F346 HydrophobicContact CG-CE2 3.8Å; E257-F346 HydrophobicContact CG-CD2 4.31Å; E257-F346 HydrophobicContact CG-CE2 3.69Å; E257-F346 HydrophobicContact CG-CZ 4.32Å; E257-F346 VanDerWaalsContact OE1-CE2 3.32Å; E257-F346 WeakPolarHBondContact OE1-CE2 3.26Å; E257-F346 WeakPolarHBondContact OE1-CZ 3.37Å; V258-F346 HydrophobicContact CG2-CD2 3.91Å; V258-F346 HydrophobicContact CG2-CE2 4.39Å; Y311-F346 WeakPolarHBondContact CA-O 3.18Å; N312-F346 PolarHBondContact N-O 3.28Å; N312-F346 PolarHBondContact O-N 2.94Å; V314-F346 HydrophobicContact CG2-CB 3.31Å; V314-F346 HydrophobicContact CG2-CG 4.49Å; F346-Y348 PolarHBondContact O-N 3.39Å
347R71.7Confident53.8Low39 Ų3973.8 Ų73.815%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-66.8126.6-179-168.3175-179.2168.88.1110.1E257 A307 S308 F309 T310 Y311 R349E257-R347 HydrophobicContact CG-CB 4.46Å; E257-R347 WeakPolarHBondContact O-CB 3.37Å; E257-R347 PolarHBondContact O-N 2.95Å; A307-R347 PolarHBondContact O-NH2 3.47Å; S308-R347 PolarHBondContact O-NH2 3.01Å; F309-R347 VanDerWaalsContact CE1-CZ 3.44Å; T310-R347 WeakPolarHBondContact O-CA 3.19Å; Y311-R347 HydrophobicContact CD1-CB 4.13Å; Y311-R347 HydrophobicContact CE1-CB 3.78Å; Y311-R347 HydrophobicContact CE1-CG 4.42Å; R347-R349 PolarHBondContact O-N 3.15Å
348Y61.8Low53.3Low79 Ų7973.9 Ų73.931%0.3133%0.33SS..  trans-68.9107.6173.6-167.4-103.8000109.3T310 N312 F346 A352T310-Y348 PolarHBondContact O-N 3.39Å; N312-Y348 VanDerWaalsContact ND2-CD2 3.25Å; N312-Y348 WeakPolarHBondContact ND2-CD2 3.25Å; F346-Y348 PolarHBondContact O-N 3.39Å; Y348-A352 HydrophobicContact CD2-CB 4.21Å; Y348-A352 HydrophobicContact CE2-CB 4.11Å
349R56.6Low52.4Low162 Ų16273.7 Ų73.761%0.61133%0.331SS*.  trans-102.9144155.2-74.8-176.6164167.5-6.1107.1R347 R351 A352R347-R349 PolarHBondContact O-N 3.15Å; R349-R351 PolarHBondContact O-N 3.48Å; R349-A352 PolarHBondContact O-N 2.87Å
350F42.4Very low51.3Low182 Ų18276.3 Ų76.380%0.79835%0.349SS*.THydrogen-bonded Turntrans-49.7-5.1-172.6-124-95.4000116.5
351R41.3Very low50.2Low241 Ų24185 Ų8591%0.90938%0.382SS*.THydrogen-bonded Turntrans-913.3-179.8-72-175.8166.1178-4.6115.8R349 Q353R349-R351 PolarHBondContact O-N 3.48Å; R351-Q353 PolarHBondContact O-N 3.05Å
352A41Very low49.1Very low29 Ų2986.1 Ų86.124%0.2439%0.388CS..  trans-85.58.5-170.300000117Y348 R349 L354Y348-A352 HydrophobicContact CD2-CB 4.21Å; Y348-A352 HydrophobicContact CE2-CB 4.11Å; R349-A352 PolarHBondContact O-N 2.87Å; A352-L354 VanDerWaalsContact C-N 3.28Å; A352-L354 PolarHBondContact O-N 3.2Å; A352-L354 VanDerWaalsContact O-N 3.12Å
353Q36.6Very low47.5Very low156 Ų15690.6 Ų90.673%0.72941%0.408SS*.THydrogen-bonded Turntrans-64.8-16.2-170.3-79.3-179.2-21.800116.3R351R351-Q353 PolarHBondContact O-N 3.05Å
354L40.9Very low45.8Very low158 Ų158101.2 Ų101.283%0.82745%0.449SS*.THydrogen-bonded Turntrans-84.4-14.4-174.4-87133.7000115.6A352A352-L354 VanDerWaalsContact C-N 3.28Å; A352-L354 PolarHBondContact O-N 3.2Å; A352-L354 VanDerWaalsContact O-N 3.12Å
355F41Very low44.3Very low111 Ų111107.3 Ų107.349%0.48748%0.475SS..  trans-95.3-11.4-163.3-76.8-84.9000116.2K357 Q358F355-K357 PolarHBondContact O-N 3.28Å; F355-K357 VanDerWaalsContact O-N 3.07Å; F355-Q358 PolarHBondContact O-N 2.8Å
356A36.8Very low42.8Very low21 Ų21109.7 Ų109.717%0.17450%0.495CS..Hα-helixtrans-58.2-25.8-176.400000114.8P287 Y288P287-A356 HydrophobicContact CB-CB 3.54Å; P287-A356 HydrophobicContact CG-CB 3.48Å; P287-A356 VanDerWaalsContact CG-CB 3.48Å; Y288-A356 HydrophobicContact CE2-CB 3.85Å
357K35Very low40.8Very low170 Ų170111.6 Ų111.674%0.73951%0.513SS*.Hα-helixtrans-81.1-23.1-173.9-72.7-174.9176.9-179.90115F355F355-K357 PolarHBondContact O-N 3.28Å; F355-K357 VanDerWaalsContact O-N 3.07Å
358Q38.4Very low38.9Very low82 Ų82113 Ų11338%0.38353%0.532SS..Hα-helixtrans-87.6-30.2-176.1-81.9177.3-14.200113.5F355F355-Q358 PolarHBondContact O-N 2.8Å
359V36.7Very low37.3Very low39 Ų39118.3 Ų118.324%0.23656%0.557CS.*Hα-helixtrans-70.2-34.6-172165.10000113.4I332 L333 R361 I362I332-V359 HydrophobicContact CB-CG1 4.38Å; I332-V359 HydrophobicContact CG2-CB 4.05Å; I332-V359 HydrophobicContact CG2-CG1 3.39Å; I332-V359 HydrophobicContact CG2-CG2 3.92Å; L333-V359 HydrophobicContact CB-CG1 3.67Å; V359-R361 PolarHBondContact O-N 2.99Å; V359-I362 PolarHBondContact O-N 3.38Å
360V30.5Very low35.8Very low92 Ų92117.9 Ų117.956%0.55857%0.567SS**THydrogen-bonded Turntrans-66.4-20-174.7178.90000113.6
361R32.6Very low35.2Very low183 Ų183122.1 Ų122.169%0.69159%0.585SS**THydrogen-bonded Turntrans-88.6-11.2-176.5-81.6-177171.5178.2-2.7115.3L21 V359 Q363L21-R361 HydrophobicContact CD1-CB 4.06Å; V359-R361 PolarHBondContact O-N 2.99Å; R361-Q363 VanDerWaalsContact C-N 3.35Å; R361-Q363 PolarHBondContact O-N 3.12Å
362I38.6Very low34.9Very low23 Ų23116.2 Ų116.212%0.11857%0.569CS.*G310 helixtrans-82.5-7.7-170.4-59.9164000113.6L21 I332 V359 R364L21-I362 HydrophobicContact CD2-CB 4.33Å; L21-I362 HydrophobicContact CD2-CD1 3.54Å; L21-I362 HydrophobicContact CD2-CG1 3Å; L21-I362 HydrophobicContact CG-CG1 4.46Å; I332-I362 HydrophobicContact CB-CB 4.4Å; I332-I362 HydrophobicContact CD1-CB 3.94Å; I332-I362 HydrophobicContact CD1-CD1 3.28Å; I332-I362 HydrophobicContact CD1-CG1 4.1Å; I332-I362 HydrophobicContact CD1-CG2 3.61Å; I332-I362 HydrophobicContact CG1-CD1 4.5Å; I332-I362 HydrophobicContact CG1-CG2 4.35Å; V359-I362 PolarHBondContact O-N 3.38Å; I362-R364 PolarHBondContact O-N 3.49Å
363Q32.1Very low34.6Very low94 Ų94120.7 Ų120.744%0.43959%0.586SS.*G310 helixtrans-60.8-6.5-174.8-68.9-169.1-41.800116.2P334 R361P334-Q363 VanDerWaalsContact CD-NE2 3.28Å; R361-Q363 VanDerWaalsContact C-N 3.35Å; R361-Q363 PolarHBondContact O-N 3.12Å
364R35.6Very low34.5Very low224 Ų224118.8 Ų118.885%0.84558%0.578SS**G310 helixtrans-115.2-0.2-172.2-75.5-171.9168.5-175.1-3.5117.4I362I362-R364 PolarHBondContact O-N 3.49Å
365F37.7Very low34.1Very low127 Ų127116.5 Ų116.556%0.55756%0.564SS**  trans-119.22.8-166.7-77.5-81.7000117.7C367F365-C367 VanDerWaalsContact C-N 3.3Å; F365-C367 PolarHBondContact O-N 3.34Å
366A38.7Very low33.7Very low51 Ų51116.8 Ų116.842%0.42157%0.569SS.*SBendtrans-79.9-3.8-179.300000115
367C30.2Very low33.4Very low81 Ų81123.2 Ų123.255%0.54760%0.595SS.*  trans-150.466.5-177.2-152.60000111.1H327 F365H327-C367 PolarHBondContact NE2-SG 3.31Å; H327-C367 VanDerWaalsContact NE2-SG 3.37Å; F365-C367 VanDerWaalsContact C-N 3.3Å; F365-C367 PolarHBondContact O-N 3.34Å
368A31.8Very low33.3Very low67 Ų67119.9 Ų119.955%0.55459%0.585SS**  trans-106.7106.6174.100000109.7
369F27.8Very low32.9Very low192 Ų192122.8 Ų122.884%0.84260%0.6SS**  trans71.197.3161.1-60.9-84.3000119
370N26.5Very low32.6Very low153 Ų153129.8 Ų129.882%0.81863%0.63SS**  -120.298.1128.1-96.9-10.6000106.7
371K29.4Very low32.8Very low270 Ų270133.2 Ų133.2100%1.17464%0.637SS**  trans-97.20135.2-94.3-168.7176.7-174.80105.9

Retrieved 371 of 371 residues in 848.5 ms (Link to these results)

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