A0A087WRC2_MOUSE Loading...

Predicted gene, 49416

AlphaFold DB , UniProt , Accession A0A087WRC2, Species MOUSE (Mus musculus, Mouse), Gene Gm49416, Length 99 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
1M65.9Low65.3Low251 Ų251127.5 Ų127.5100%1.23675%0.754SS**  0117.50-80.6-177.2148.600108.5
2A56.9Low65.9Low100 Ų100133.9 Ų133.983%0.82676%0.755SS**  trans-97143.1179.100000111.2
3P62.7Low67Low112 Ų112129.1 Ų129.173%0.72773%0.73SS**  trans-79.4161.4-164.332.8-35.6000113.3G5P3-G5 PolarHBondContact O-N 2.78Å
4P63.9Low67.6Low139 Ų139127.8 Ų127.890%0.90372%0.715SS**  trans-78.579.4-172.133.5-34.5000111.4
5G59.2Low68Low76 Ų76123.9 Ų123.978%0.78469%0.692SS**  trans-105.734.8174.300000113.4P3P3-G5 PolarHBondContact O-N 2.78Å
6G66.1Low68.6Low57 Ų57123 Ų12359%0.58868%0.678SS**  trans-78.9122.7-170.800000114.1I8G6-I8 PolarHBondContact O-N 2.87Å
7K64.2Low69.5Low140 Ų140122.7 Ų122.761%0.60967%0.669SS**  trans56.942.6139-51.3-176.9-175171.10117.2N9 R10K7-N9 VanDerWaalsContact C-N 3.26Å; K7-N9 PolarHBondContact O-N 2.73Å; K7-R10 HydrophobicContact CB-CB 4.46Å; K7-R10 HydrophobicContact CB-CG 4.26Å
8I65.2Low70.4Confident137 Ų137122.7 Ų122.770%0.70366%0.661SS**THydrogen-bonded Turntrans-60.7-37.4175.6-59.8174.9000111.3G6G6-I8 PolarHBondContact O-N 2.87Å
9N70.9Confident71.2Confident158 Ų158120.6 Ų120.685%0.84565%0.649SS**THydrogen-bonded Turntrans-103.511.8-170.4-66.4-30.1000116.6K7K7-N9 VanDerWaalsContact C-N 3.26Å; K7-N9 PolarHBondContact O-N 2.73Å
10R71.7Confident72Confident163 Ų163122.8 Ų122.862%0.61565%0.653SS**SBendtrans-87.6142.9-177.3-64.8-174.3-172.2162.410112.2K7 R12K7-R10 HydrophobicContact CB-CB 4.46Å; K7-R10 HydrophobicContact CB-CG 4.26Å; R10-R12 PolarHBondContact O-N 3.37Å
11P71.6Confident72.8Confident70 Ų70123 Ų12346%0.45565%0.648SS.*  trans-63.7112.4179.423.4-31.4000110.9T13 K16 K17P11-T13 PolarHBondContact O-N 2.9Å; P11-K16 HydrophobicContact CB-CB 3.79Å; P11-K17 HydrophobicContact CB-CG 4.22Å; P11-K17 HydrophobicContact CG-CG 4.13Å
12R72.8Confident73.8Confident204 Ų204116.2 Ų116.277%0.7761%0.609SS**  trans-73.5-19.5-171.3-61.6-175177-176-2.6115.4R10R10-R12 PolarHBondContact O-N 3.37Å
13T79.8Confident75.4Confident71 Ų71118.9 Ų118.944%0.43660%0.597SS.*SBendtrans-128.9153.9-173.8650000113.2P11 L15 K16 K17P11-T13 PolarHBondContact O-N 2.9Å; T13-L15 PolarHBondContact O-N 3.26Å; T13-L15 VanDerWaalsContact O-N 3.16Å; T13-K16 WeakPolarHBondContact O-CA 3.36Å; T13-K16 PolarHBondContact O-N 3.03Å; T13-K16 WeakPolarHBondContact OG1-CG 3.5Å; T13-K16 PolarHBondContact OG1-N 3.02Å; T13-K17 WeakPolarHBondContact O-CG 3.36Å; T13-K17 PolarHBondContact O-N 3.46Å
14E76.1Confident76.6Confident111 Ų111122.2 Ų122.252%0.51960%0.595SS.*Hα-helixtrans-54.1-34.1178.8-68.6-55.1123.500113.7K17 K18E14-K17 IonicContact OE1-NZ 2.74Å; E14-K17 PolarHBondContact OE1-NZ 2.86Å; E14-K18 PolarHBondContact O-N 3.46Å; E14-K18 VanDerWaalsContact O-N 3.11Å
15L74Confident77.8Confident70 Ų70117.4 Ų117.437%0.36656%0.564SS.*Hα-helixtrans-72.2-38.9173.7-75.5173.3000112.6T13 K17 K18 K21 R22 V25T13-L15 PolarHBondContact O-N 3.26Å; T13-L15 VanDerWaalsContact O-N 3.16Å; L15-K17 VanDerWaalsContact C-N 3.31Å; L15-K18 CarbonylContact O-C 3.14Å; L15-K18 PolarHBondContact O-N 3.5Å; L15-K21 HydrophobicContact CD2-CB 4.16Å; L15-K21 HydrophobicContact CD2-CD 4Å; L15-K21 HydrophobicContact CD2-CG 3.83Å; L15-R22 HydrophobicContact CB-CB 4.28Å; L15-R22 VanDerWaalsContact O-CB 3.25Å; L15-R22 WeakPolarHBondContact O-CB 3.47Å; L15-V25 HydrophobicContact CD2-CG2 4.4Å
16K77.6Confident79.1Confident109 Ų109116.9 Ų116.947%0.47454%0.542SS..Hα-helixtrans-70.2-31177.3-76-177.6176.8-176.70111.9P11 T13P11-K16 HydrophobicContact CB-CB 3.79Å; T13-K16 WeakPolarHBondContact O-CA 3.36Å; T13-K16 PolarHBondContact O-N 3.03Å; T13-K16 WeakPolarHBondContact OG1-CG 3.5Å; T13-K16 PolarHBondContact OG1-N 3.02Å
17K83.8Confident80Confident118 Ų118116.3 Ų116.351%0.51353%0.529SS..Hα-helixtrans-64.9-41.3169.5-64.7175.8-172.4173.10111.1P11 T13 E14 L15 L19P11-K17 HydrophobicContact CB-CG 4.22Å; P11-K17 HydrophobicContact CG-CG 4.13Å; T13-K17 WeakPolarHBondContact O-CG 3.36Å; T13-K17 PolarHBondContact O-N 3.46Å; E14-K17 IonicContact OE1-NZ 2.74Å; E14-K17 PolarHBondContact OE1-NZ 2.86Å; L15-K17 VanDerWaalsContact C-N 3.31Å; K17-L19 PolarHBondContact O-N 3.05Å
18K85.6Confident80.9Confident122 Ų122116.3 Ų116.353%0.5353%0.526SS..SBendtrans-9975.7178.9-61.8179.1-176.7178.60111.3E14 L15 F20 K21 R22E14-K18 PolarHBondContact O-N 3.46Å; E14-K18 VanDerWaalsContact O-N 3.11Å; L15-K18 CarbonylContact O-C 3.14Å; L15-K18 PolarHBondContact O-N 3.5Å; K18-F20 VanDerWaalsContact C-N 3.27Å; K18-F20 PolarHBondContact O-N 2.98Å; K18-F20 VanDerWaalsContact O-N 3.12Å; K18-K21 HydrophobicContact CB-CB 4.08Å; K18-K21 WeakPolarHBondContact O-CB 3.48Å; K18-K21 PolarHBondContact O-N 3.49Å; K18-R22 PolarHBondContact O-N 3Å; K18-R22 VanDerWaalsContact O-N 3.14Å
19L84.5Confident81.4Confident84 Ų84113.4 Ų113.444%0.4451%0.512SS..Hα-helixtrans-49-43.6-171.9-170.5149.1000113.9K17 R22 R23K17-L19 PolarHBondContact O-N 3.05Å; L19-R22 PolarHBondContact O-N 3.5Å; L19-R23 HydrophobicContact CD2-CG 4.42Å; L19-R23 PolarHBondContact O-N 3.27Å
20F87.8Confident82Confident164 Ų164112.8 Ų112.872%0.71950%0.497SS*.Hα-helixtrans-66.6-37.9179.2-64.4-66.4000112.9K18 R22 R23 R24K18-F20 VanDerWaalsContact C-N 3.27Å; K18-F20 PolarHBondContact O-N 2.98Å; K18-F20 VanDerWaalsContact O-N 3.12Å; F20-R22 VanDerWaalsContact C-N 3.33Å; F20-R22 PolarHBondContact O-N 3.39Å; F20-R23 PolarHBondContact O-N 3.14Å; F20-R24 WeakPolarHBondContact O-CB 3.43Å; F20-R24 PolarHBondContact O-N 2.95Å
21K89.9Confident82Confident126 Ų126113.5 Ų113.555%0.54850%0.5SS..Hα-helixtrans-67.4-36.3176-162.4177.2-177.1179.70111.2L15 K18 R24 V25L15-K21 HydrophobicContact CD2-CB 4.16Å; L15-K21 HydrophobicContact CD2-CD 4Å; L15-K21 HydrophobicContact CD2-CG 3.83Å; K18-K21 HydrophobicContact CB-CB 4.08Å; K18-K21 WeakPolarHBondContact O-CB 3.48Å; K18-K21 PolarHBondContact O-N 3.49Å; K21-R24 PolarHBondContact O-N 3.47Å; K21-V25 WeakPolarHBondContact O-CG2 3.36Å; K21-V25 PolarHBondContact O-N 3.16Å
22R86.1Confident82Confident109 Ų109119.3 Ų119.341%0.41151%0.513SS..Hα-helixtrans-64-49.4174.6175.2172.9179.5-99.2-3.2112.6L15 K18 L19 F20 R24 V25 L26L15-R22 HydrophobicContact CB-CB 4.28Å; L15-R22 VanDerWaalsContact O-CB 3.25Å; L15-R22 WeakPolarHBondContact O-CB 3.47Å; K18-R22 PolarHBondContact O-N 3Å; K18-R22 VanDerWaalsContact O-N 3.14Å; L19-R22 PolarHBondContact O-N 3.5Å; F20-R22 VanDerWaalsContact C-N 3.33Å; F20-R22 PolarHBondContact O-N 3.39Å; R22-R24 VanDerWaalsContact C-N 3.25Å; R22-R24 PolarHBondContact O-N 2.93Å; R22-V25 PolarHBondContact O-N 3.37Å; R22-L26 HydrophobicContact CG-CD1 3.78Å; R22-L26 HydrophobicContact CG-CG 4.47Å; R22-L26 WeakPolarHBondContact O-CB 3.48Å; R22-L26 VanDerWaalsContact O-CG 3.24Å; R22-L26 WeakPolarHBondContact O-CG 3.49Å; R22-L26 PolarHBondContact O-N 3.48Å
23R90.6Very high81.4Confident157 Ų157117.1 Ų117.159%0.59251%0.509SS*.Hα-helixtrans-59.1-40.6175.3-72.6-176.6177.1-178.31111.3L19 F20 L26 S27L19-R23 HydrophobicContact CD2-CG 4.42Å; L19-R23 PolarHBondContact O-N 3.27Å; F20-R23 PolarHBondContact O-N 3.14Å; R23-L26 PolarHBondContact O-N 3.36Å; R23-S27 WeakPolarHBondContact O-CB 3.44Å; R23-S27 PolarHBondContact O-N 2.99Å; R23-S27 PolarHBondContact O-OG 3.32Å
24R86.9Confident81Confident181 Ų181122.5 Ų122.568%0.68352%0.521SS*.Hα-helixtrans-61.4-44.9178.3-170.2-177.5-67.8-175.8-1.4112.9F20 K21 R22 R28F20-R24 WeakPolarHBondContact O-CB 3.43Å; F20-R24 PolarHBondContact O-N 2.95Å; K21-R24 PolarHBondContact O-N 3.47Å; R22-R24 VanDerWaalsContact C-N 3.25Å; R22-R24 PolarHBondContact O-N 2.93Å; R24-R28 WeakPolarHBondContact O-CB 3.48Å; R24-R28 PolarHBondContact O-N 3.04Å; R24-R28 VanDerWaalsContact O-N 3.13Å
25V89.4Confident80.7Confident39 Ų39121.9 Ų121.924%0.23652%0.518CS..Hα-helixtrans-65.5-45.7175.3171.90000110.7L15 K21 R22 S27 R28 D29L15-V25 HydrophobicContact CD2-CG2 4.4Å; K21-V25 WeakPolarHBondContact O-CG2 3.36Å; K21-V25 PolarHBondContact O-N 3.16Å; R22-V25 PolarHBondContact O-N 3.37Å; V25-S27 VanDerWaalsContact C-N 3.34Å; V25-S27 PolarHBondContact O-N 3.08Å; V25-R28 PolarHBondContact O-N 3.41Å; V25-D29 PolarHBondContact O-N 3.1Å
26L86.7Confident80.3Confident65 Ų65121.1 Ų121.134%0.3452%0.517SS..Hα-helixtrans-62-39.7-179-72169.7000112.8R22 R23 R30R22-L26 HydrophobicContact CG-CD1 3.78Å; R22-L26 HydrophobicContact CG-CG 4.47Å; R22-L26 WeakPolarHBondContact O-CB 3.48Å; R22-L26 VanDerWaalsContact O-CG 3.24Å; R22-L26 WeakPolarHBondContact O-CG 3.49Å; R22-L26 PolarHBondContact O-N 3.48Å; R23-L26 PolarHBondContact O-N 3.36Å; L26-R30 WeakPolarHBondContact O-CG 3.42Å; L26-R30 PolarHBondContact O-N 2.95Å
27S85.9Confident79.5Confident45 Ų45119.6 Ų119.632%0.31552%0.516SS..Hα-helixtrans-74.6-33.3177.6-68.10000112.8R23 V25 R30 R31R23-S27 WeakPolarHBondContact O-CB 3.44Å; R23-S27 PolarHBondContact O-N 2.99Å; R23-S27 PolarHBondContact O-OG 3.32Å; V25-S27 VanDerWaalsContact C-N 3.34Å; V25-S27 PolarHBondContact O-N 3.08Å; S27-R30 WeakPolarHBondContact O-CB 3.46Å; S27-R30 PolarHBondContact O-N 3.44Å; S27-R31 WeakPolarHBondContact O-CG 3.47Å; S27-R31 PolarHBondContact O-N 2.95Å
28R82.4Confident78.6Confident140 Ų140116.1 Ų116.153%0.52851%0.514SS..Hα-helixtrans-67-40.8175.2-157.7-168.4-29.6158.212.9111R24 V25 R30 R31 R32R24-R28 WeakPolarHBondContact O-CB 3.48Å; R24-R28 PolarHBondContact O-N 3.04Å; R24-R28 VanDerWaalsContact O-N 3.13Å; V25-R28 PolarHBondContact O-N 3.41Å; R28-R30 VanDerWaalsContact C-N 3.35Å; R28-R31 PolarHBondContact O-N 3.31Å; R28-R32 PolarHBondContact O-N 2.95Å
29D76.1Confident77.6Confident76 Ų76114.2 Ų114.241%0.40652%0.521SS..Hα-helixtrans-62.3-42170.1-73.4-16.6000111.1V25 R31 K33V25-D29 PolarHBondContact O-N 3.1Å; D29-R31 VanDerWaalsContact C-N 3.28Å; D29-R31 PolarHBondContact O-N 3.29Å; D29-K33 VanDerWaalsContact O-CB 3.22Å; D29-K33 WeakPolarHBondContact O-CB 3.29Å; D29-K33 VanDerWaalsContact O-CD 3.25Å; D29-K33 WeakPolarHBondContact O-CD 3.26Å; D29-K33 WeakPolarHBondContact O-CG 3.31Å; D29-K33 PolarHBondContact O-N 3.48Å
30R82.6Confident76.8Confident145 Ų145111.4 Ų111.455%0.54751%0.507SS..Hα-helixtrans-63.5-30.3175.8-73.2171.4-154.7-170.22.5113.7L26 S27 R28 R34L26-R30 WeakPolarHBondContact O-CG 3.42Å; L26-R30 PolarHBondContact O-N 2.95Å; S27-R30 WeakPolarHBondContact O-CB 3.46Å; S27-R30 PolarHBondContact O-N 3.44Å; R28-R30 VanDerWaalsContact C-N 3.35Å; R30-R34 WeakPolarHBondContact O-CG 3.35Å
31R71.5Confident75.9Confident178 Ų178109.1 Ų109.167%0.67250%0.501SS*.Hα-helixtrans-88.2-39.1-179.2-72.5-177.8-158.6174.64.1113.3S27 R28 D29 K33 R34S27-R31 WeakPolarHBondContact O-CG 3.47Å; S27-R31 PolarHBondContact O-N 2.95Å; R28-R31 PolarHBondContact O-N 3.31Å; D29-R31 VanDerWaalsContact C-N 3.28Å; D29-R31 PolarHBondContact O-N 3.29Å; R31-K33 PolarHBondContact O-N 3.24Å; R31-R34 PolarHBondContact O-N 3.49Å
32R71.6Confident75.2Confident192 Ų192103.5 Ų103.573%0.72548%0.477SS*.Hα-helixtrans-59-27.7166.2-104.4-179.6177.7177.8-2.1111.6R28 R34R28-R32 PolarHBondContact O-N 2.95Å; R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 2.94Å
33K61.2Low74.4Confident157 Ų157105.3 Ų105.368%0.68349%0.49SS*.THydrogen-bonded Turntrans-72.2-4.4170.2-74.7171.1-174.9-170.40115.4D29 R31D29-K33 VanDerWaalsContact O-CB 3.22Å; D29-K33 WeakPolarHBondContact O-CB 3.29Å; D29-K33 VanDerWaalsContact O-CD 3.25Å; D29-K33 WeakPolarHBondContact O-CD 3.26Å; D29-K33 WeakPolarHBondContact O-CG 3.31Å; D29-K33 PolarHBondContact O-N 3.48Å; R31-K33 PolarHBondContact O-N 3.24Å
34R70.9Confident73.8Confident185 Ų185101.6 Ų101.670%0.69850%0.501SS*.THydrogen-bonded Turntrans-125.413-177.2-68179.9-170.2-179.70.4114.3R30 R31 R32 A55R30-R34 WeakPolarHBondContact O-CG 3.35Å; R31-R34 PolarHBondContact O-N 3.49Å; R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 2.94Å; R34-A55 CarbonylContact C-O 3.54Å; R34-A55 WeakPolarHBondContact CA-O 3.09Å
35Q69.4Low73.5Confident97 Ų9794.2 Ų94.245%0.45348%0.475SS..  trans-95.3127.1-170-88.6-179.5-19.600115.4V37 R54 A55 S57 A58Q35-V37 HydrophobicContact CB-CG2 3.97Å; Q35-R54 CarbonylContact C-O 3.17Å; Q35-A55 PolarHBondContact N-O 3.07Å; Q35-A55 VanDerWaalsContact N-O 3.12Å; Q35-S57 CarbonylContact O-C 3.09Å; Q35-A58 PolarHBondContact O-N 2.64Å
36V66.1Low73Confident55 Ų5593 Ų9333%0.33347%0.468SS..  trans-74.2113.31551710000108.7L51 R54 A55V36-L51 WeakPolarHBondContact CG2-O 3.49Å; V36-R54 WeakPolarHBondContact CA-O 3.37Å; V36-R54 HydrophobicContact CB-CB 3.77Å; V36-R54 HydrophobicContact CB-CG 3.89Å; V36-R54 HydrophobicContact CG1-CB 3.58Å; V36-R54 HydrophobicContact CG1-CG 3.61Å; V36-R54 HydrophobicContact CG2-CB 3.76Å; V36-R54 HydrophobicContact CG2-CG 4.43Å; V36-R54 PolarHBondContact N-O 3.06Å; V36-R54 VanDerWaalsContact N-O 3.09Å; V36-A55 VanDerWaalsContact CG2-CA 3.41Å; V36-A55 HydrophobicContact CG2-CB 3.79Å
37V60.1Low72.7Confident76 Ų7693.3 Ų93.346%0.46147%0.472SS..  trans-115.3109.9178.2-171.50000113Q35 R54 A58Q35-V37 HydrophobicContact CB-CG2 3.97Å; V37-R54 PolarHBondContact O-NE 3.3Å; V37-R54 PolarHBondContact O-NH1 2.81Å; V37-A58 HydrophobicContact CB-CB 3.7Å; V37-A58 HydrophobicContact CG2-CB 3.46Å; V37-A58 VanDerWaalsContact CG2-CB 3.46Å
38G64.6Low72.4Confident45 Ų45100 Ų10046%0.46450%0.495SS..SBendtrans127.2157.4171.500000114.1V40 R54 I62G38-V40 PolarHBondContact O-N 3.27Å; G38-R54 PolarHBondContact O-NH1 3Å; G38-R54 VanDerWaalsContact O-NH1 3.08Å; G38-I62 VanDerWaalsContact O-CD1 3.25Å; G38-I62 WeakPolarHBondContact O-CD1 3.36Å
39A64.6Low72.2Confident83 Ų8398.2 Ų98.269%0.68649%0.493SS*.  trans-62.1126.2-175.700000113.3I41 I62A39-I41 PolarHBondContact O-N 3.24Å; A39-I41 VanDerWaalsContact O-N 3.13Å; A39-I62 WeakPolarHBondContact O-CD1 3.45Å
40V67.6Low72.3Confident24 Ų2496 Ų9615%0.14548%0.48CS..  trans-76.695.2172.6-1720000107.2G38 D42 E43 T46 L51 I62G38-V40 PolarHBondContact O-N 3.27Å; V40-D42 PolarHBondContact O-N 3.41Å; V40-E43 HydrophobicContact CB-CG 4.02Å; V40-E43 HydrophobicContact CG1-CG 4.15Å; V40-E43 WeakPolarHBondContact O-CG 3.35Å; V40-T46 HydrophobicContact CG1-CG2 3.65Å; V40-T46 VanDerWaalsContact CG1-OG1 3.27Å; V40-T46 WeakPolarHBondContact CG1-OG1 3.47Å; V40-L51 HydrophobicContact CG1-CD2 4.31Å; V40-L51 HydrophobicContact CG2-CD2 3.69Å; V40-I62 HydrophobicContact CB-CD1 3.81Å; V40-I62 HydrophobicContact CG1-CD1 4.32Å; V40-I62 HydrophobicContact CG2-CD1 3.44Å; V40-I62 VanDerWaalsContact CG2-CD1 3.44Å
41I70Confident72Confident117 Ų11792.6 Ų92.660%0.647%0.473SS*.THydrogen-bonded Turntrans-63.4-30.9-174.4-58.4-178.8000112.2A39 T63A39-I41 PolarHBondContact O-N 3.24Å; A39-I41 VanDerWaalsContact O-N 3.13Å; I41-T63 HydrophobicContact CB-CG2 4.03Å; I41-T63 HydrophobicContact CD1-CG2 3.6Å; I41-T63 HydrophobicContact CG1-CG2 3.77Å
42D74.6Confident72.3Confident8 Ų891.3 Ų91.34%0.04347%0.472CS..THydrogen-bonded Turntrans-113.748.2-171.7-60.9-53.4000112.3V40 G44 L45 T46 L64 R69V40-D42 PolarHBondContact O-N 3.41Å; D42-G44 VanDerWaalsContact C-N 3.31Å; D42-G44 PolarHBondContact O-N 3.5Å; D42-G44 VanDerWaalsContact O-N 3.13Å; D42-L45 HydrophobicContact CB-CB 4.28Å; D42-L45 CarbonylContact O-C 3.53Å; D42-L45 WeakPolarHBondContact O-CA 3.25Å; D42-L45 PolarHBondContact O-N 3Å; D42-T46 HydrophobicContact CB-CG2 4.02Å; D42-T46 WeakPolarHBondContact O-CG2 3.21Å; D42-T46 PolarHBondContact O-N 3.03Å; D42-T46 PolarHBondContact O-OG1 3.08Å; D42-L64 HydrophobicContact CB-CD1 4.24Å; D42-L64 HydrophobicContact CB-CG 4.33Å; D42-L64 PolarHBondContact OD2-N 3.47Å; D42-R69 WeakPolarHBondContact OD1-CD 3.33Å; D42-R69 IonicContact OD1-CZ 3.11Å; D42-R69 IonicContact OD1-NE 3.07Å; D42-R69 PolarHBondContact OD1-NE 3.38Å; D42-R69 VanDerWaalsContact OD1-NE 3.07Å; D42-R69 IonicContact OD1-NH1 3.14Å; D42-R69 PolarHBondContact OD1-NH1 3.06Å; D42-R69 VanDerWaalsContact OD1-NH1 3.14Å; D42-R69 IonicContact OD1-NH2 3.87Å
43E70.7Confident72.6Confident146 Ų14687.7 Ų87.768%0.68246%0.461SS*.THydrogen-bonded Turntrans-49.8-44.7-169-58-166.1155.200114.5V40 L45 T46V40-E43 HydrophobicContact CB-CG 4.02Å; V40-E43 HydrophobicContact CG1-CG 4.15Å; V40-E43 WeakPolarHBondContact O-CG 3.35Å; E43-L45 PolarHBondContact O-N 3.13Å; E43-T46 WeakPolarHBondContact CA-OG1 3.27Å; E43-T46 PolarHBondContact O-OG1 3.14Å; E43-T46 VanDerWaalsContact O-OG1 3.06Å
44G77.4Confident73.1Confident79 Ų7981.7 Ų81.781%0.81443%0.434SS*.THydrogen-bonded Turntrans-73.9-9179.700000115.3D42D42-G44 VanDerWaalsContact C-N 3.31Å; D42-G44 PolarHBondContact O-N 3.5Å; D42-G44 VanDerWaalsContact O-N 3.13Å
45L80.6Confident73.2Confident26 Ų2674.5 Ų74.514%0.13641%0.414CS..THydrogen-bonded Turntrans-115.7-20.6178.7-58.4171.4000111.9D42 E43 T47 L64 R69 L72 L73 I76D42-L45 HydrophobicContact CB-CB 4.28Å; D42-L45 CarbonylContact O-C 3.53Å; D42-L45 WeakPolarHBondContact O-CA 3.25Å; D42-L45 PolarHBondContact O-N 3Å; E43-L45 PolarHBondContact O-N 3.13Å; L45-T47 PolarHBondContact O-N 3.27Å; L45-L64 HydrophobicContact CB-CD1 3.45Å; L45-L64 VanDerWaalsContact CB-CD1 3.45Å; L45-L64 HydrophobicContact CD1-CD1 4.46Å; L45-R69 HydrophobicContact CD1-CG 3.69Å; L45-L72 HydrophobicContact CB-CD1 4.34Å; L45-L72 HydrophobicContact CD2-CB 3.91Å; L45-L73 HydrophobicContact CD1-CD1 4.29Å; L45-L73 HydrophobicContact CD1-CD2 4.01Å; L45-L73 HydrophobicContact CD1-CG 3.87Å; L45-L73 HydrophobicContact CD2-CD2 4.13Å; L45-L73 HydrophobicContact CD2-CG 4.38Å; L45-I76 HydrophobicContact CD2-CD1 3.63Å
46T78.4Confident73.3Confident15 Ų1574.5 Ų74.59%0.09243%0.425CS..  trans-73.8122.1177.149.40000110.6V40 D42 E43 I62 L64V40-T46 HydrophobicContact CG1-CG2 3.65Å; V40-T46 VanDerWaalsContact CG1-OG1 3.27Å; V40-T46 WeakPolarHBondContact CG1-OG1 3.47Å; D42-T46 HydrophobicContact CB-CG2 4.02Å; D42-T46 WeakPolarHBondContact O-CG2 3.21Å; D42-T46 PolarHBondContact O-N 3.03Å; D42-T46 PolarHBondContact O-OG1 3.08Å; E43-T46 WeakPolarHBondContact CA-OG1 3.27Å; E43-T46 PolarHBondContact O-OG1 3.14Å; E43-T46 VanDerWaalsContact O-OG1 3.06Å; T46-I62 WeakPolarHBondContact CG2-O 3.2Å; T46-L64 HydrophobicContact CG2-CG 4.31Å
47T79.9Confident73.6Confident70 Ų7074.5 Ų74.543%0.42943%0.428SS..  trans-77.8160.1-179.960.50000111.5L45 H49 H50 L51L45-T47 PolarHBondContact O-N 3.27Å; T47-H49 PolarHBondContact O-N 3.02Å; T47-H50 WeakPolarHBondContact O-CB 3.5Å; T47-H50 PolarHBondContact O-N 2.78Å; T47-H50 PolarHBondContact OG1-CD2 2.93Å; T47-L51 PolarHBondContact O-N 2.87Å
48K80.4Confident74.1Confident185 Ų18573.1 Ų73.180%0.80442%0.424SS*.Hα-helixtrans-46.6-31.5170.2-175.2177-178176.50112.6L51 K52K48-L51 PolarHBondContact O-N 2.99Å; K48-K52 WeakPolarHBondContact O-CB 3.39Å; K48-K52 PolarHBondContact O-N 3.48Å
49H78.5Confident74.4Confident103 Ų10382.1 Ų82.148%0.47744%0.444SS..Hα-helixtrans-67-37.7176.6-179-112000113.3T47 K53T47-H49 PolarHBondContact O-N 3.02Å; H49-K53 WeakPolarHBondContact CE1-CE 3.45Å; H49-K53 PolarHBondContact CE1-NZ 3.42Å; H49-K53 WeakPolarHBondContact NE2-CE 3.5Å; H49-K53 WeakPolarHBondContact O-CB 3.44Å; H49-K53 VanDerWaalsContact O-CG 3.32Å; H49-K53 WeakPolarHBondContact O-CG 3.43Å; H49-K53 PolarHBondContact O-N 3.46Å
50H78.1Confident75Confident30 Ų3079.3 Ų79.314%0.13942%0.421CS..Hα-helixtrans-68.5-37.9175.1-64.5-38.3000111.9T47 K53 R54 L64 K68T47-H50 WeakPolarHBondContact O-CB 3.5Å; T47-H50 PolarHBondContact O-N 2.78Å; T47-H50 PolarHBondContact OG1-CD2 2.93Å; H50-K53 PolarHBondContact O-N 3.13Å; H50-R54 PolarHBondContact O-N 3.14Å; H50-L64 WeakPolarHBondContact NE2-CD2 3.45Å; H50-K68 PolarHBondContact NE2-NZ 3.49Å
51L75Confident75.2Confident74 Ų7483.9 Ų83.939%0.38745%0.445SS..Hα-helixtrans-68.9-43.1175.7-60.5176.1000112V36 V40 T47 K48 K53 R54 A55V36-L51 WeakPolarHBondContact CG2-O 3.49Å; V40-L51 HydrophobicContact CG1-CD2 4.31Å; V40-L51 HydrophobicContact CG2-CD2 3.69Å; T47-L51 PolarHBondContact O-N 2.87Å; K48-L51 PolarHBondContact O-N 2.99Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 3.43Å; L51-R54 PolarHBondContact O-N 2.95Å; L51-A55 PolarHBondContact O-N 3.41Å
52K79.3Confident75.5Confident151 Ų15178.4 Ų78.466%0.65742%0.417SS*.Hα-helixtrans-62-37.1174.3-168.1176.1-178.7-177.90111.7K48 R54 A55 S56K48-K52 WeakPolarHBondContact O-CB 3.39Å; K48-K52 PolarHBondContact O-N 3.48Å; K52-R54 VanDerWaalsContact C-N 3.34Å; K52-R54 PolarHBondContact O-N 3.48Å; K52-A55 PolarHBondContact O-N 3.06Å; K52-S56 PolarHBondContact O-N 3.34Å; K52-S56 PolarHBondContact O-OG 3.05Å
53K76.6Confident75.6Confident116 Ų11680.3 Ų80.350%0.50443%0.429SS..Hα-helixtrans-63.4-37.6177.6-85.5-176.2169-173.90113H49 H50 L51 S57H49-K53 WeakPolarHBondContact CE1-CE 3.45Å; H49-K53 PolarHBondContact CE1-NZ 3.42Å; H49-K53 WeakPolarHBondContact NE2-CE 3.5Å; H49-K53 WeakPolarHBondContact O-CB 3.44Å; H49-K53 VanDerWaalsContact O-CG 3.32Å; H49-K53 WeakPolarHBondContact O-CG 3.43Å; H49-K53 PolarHBondContact O-N 3.46Å; H50-K53 PolarHBondContact O-N 3.13Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 3.43Å; K53-S57 PolarHBondContact O-N 3.29Å
54R73.3Confident76Confident30 Ų3074 Ų7411%0.11340%0.4CS..Hα-helixtrans-82.8-27.2177.3-151.9-170.8-126.2-177.4-4.5111.6Q35 V36 V37 G38 H50 L51 K52 S56 S57 A60 I62Q35-R54 CarbonylContact C-O 3.17Å; V36-R54 WeakPolarHBondContact CA-O 3.37Å; V36-R54 HydrophobicContact CB-CB 3.77Å; V36-R54 HydrophobicContact CB-CG 3.89Å; V36-R54 HydrophobicContact CG1-CB 3.58Å; V36-R54 HydrophobicContact CG1-CG 3.61Å; V36-R54 HydrophobicContact CG2-CB 3.76Å; V36-R54 HydrophobicContact CG2-CG 4.43Å; V36-R54 PolarHBondContact N-O 3.06Å; V36-R54 VanDerWaalsContact N-O 3.09Å; V37-R54 PolarHBondContact O-NE 3.3Å; V37-R54 PolarHBondContact O-NH1 2.81Å; G38-R54 PolarHBondContact O-NH1 3Å; G38-R54 VanDerWaalsContact O-NH1 3.08Å; H50-R54 PolarHBondContact O-N 3.14Å; L51-R54 PolarHBondContact O-N 2.95Å; K52-R54 VanDerWaalsContact C-N 3.34Å; K52-R54 PolarHBondContact O-N 3.48Å; R54-S56 PolarHBondContact O-N 3.09Å; R54-S56 VanDerWaalsContact O-N 3.11Å; R54-S57 WeakPolarHBondContact CA-O 3.07Å; R54-S57 WeakPolarHBondContact CG-O 3.43Å; R54-S57 CarbonylContact O-C 2.69Å; R54-S57 PolarHBondContact O-N 2.77Å; R54-A60 HydrophobicContact CB-CB 4.39Å; R54-A60 HydrophobicContact CG-CB 4.22Å; R54-A60 PolarHBondContact NE-O 3.33Å; R54-A60 PolarHBondContact NH2-O 2.94Å; R54-I62 HydrophobicContact CB-CG2 3.38Å; R54-I62 HydrophobicContact CG-CG2 3.67Å; R54-I62 VanDerWaalsContact CZ-CG1 3.49Å
55A73.1Confident76.3Confident34 Ų3474.4 Ų74.428%0.28139%0.39SS..Hα-helixtrans-60.3-27.3172.800000111.1R34 Q35 V36 L51 K52R34-A55 CarbonylContact C-O 3.54Å; R34-A55 WeakPolarHBondContact CA-O 3.09Å; Q35-A55 PolarHBondContact N-O 3.07Å; Q35-A55 VanDerWaalsContact N-O 3.12Å; V36-A55 VanDerWaalsContact CG2-CA 3.41Å; V36-A55 HydrophobicContact CG2-CB 3.79Å; L51-A55 PolarHBondContact O-N 3.41Å; K52-A55 PolarHBondContact O-N 3.06Å
56S70.6Confident76.6Confident98 Ų9875.4 Ų75.469%0.68541%0.406SS*.THydrogen-bonded Turntrans-86.2-17.4172.7-55.70000114.1K52 R54K52-S56 PolarHBondContact O-N 3.34Å; K52-S56 PolarHBondContact O-OG 3.05Å; R54-S56 PolarHBondContact O-N 3.09Å; R54-S56 VanDerWaalsContact O-N 3.11Å
57S72.6Confident77.2Confident55 Ų5582.2 Ų82.239%0.38544%0.435SS..  trans-155.8121.3-174.9177.40000113.7Q35 K53 R54 R59 A60Q35-S57 CarbonylContact O-C 3.09Å; K53-S57 PolarHBondContact O-N 3.29Å; R54-S57 WeakPolarHBondContact CA-O 3.07Å; R54-S57 WeakPolarHBondContact CG-O 3.43Å; R54-S57 CarbonylContact O-C 2.69Å; R54-S57 PolarHBondContact O-N 2.77Å; S57-R59 VanDerWaalsContact C-N 3.26Å; S57-R59 PolarHBondContact O-N 3.42Å; S57-A60 PolarHBondContact O-N 2.82Å
58A71.1Confident77.5Confident47 Ų4783.4 Ų83.439%0.38843%0.434SS..THydrogen-bonded Turntrans-56.9-33.8176.500000113.8Q35 V37Q35-A58 PolarHBondContact O-N 2.64Å; V37-A58 HydrophobicContact CB-CB 3.7Å; V37-A58 HydrophobicContact CG2-CB 3.46Å; V37-A58 VanDerWaalsContact CG2-CB 3.46Å
59R71.3Confident77.8Confident233 Ų23379.9 Ų79.988%0.87942%0.416SS*.THydrogen-bonded Turntrans-88.9-11.6-174.9-67176.769.3-172.32.9114S57 N61S57-R59 VanDerWaalsContact C-N 3.26Å; S57-R59 PolarHBondContact O-N 3.42Å; R59-N61 PolarHBondContact O-N 3Å
60A75.1Confident78.4Confident25 Ų2584.2 Ų84.221%0.20743%0.428CS..SBendtrans-59135.3-173.900000110.5R54 S57 I62R54-A60 HydrophobicContact CB-CB 4.39Å; R54-A60 HydrophobicContact CG-CB 4.22Å; R54-A60 PolarHBondContact NE-O 3.33Å; R54-A60 PolarHBondContact NH2-O 2.94Å; S57-A60 PolarHBondContact O-N 2.82Å; A60-I62 PolarHBondContact O-N 2.69Å
61N73.5Confident79.1Confident119 Ų11988.8 Ų88.864%0.63645%0.447SS*.  trans-71.8122.6175.9-169.1-44.2000109.3R59 T63R59-N61 PolarHBondContact O-N 3Å; N61-T63 PolarHBondContact ND2-OG1 3.34Å; N61-T63 WeakPolarHBondContact OD1-CA 3.17Å; N61-T63 WeakPolarHBondContact OD1-CB 3.44Å; N61-T63 PolarHBondContact OD1-N 3.45Å; N61-T63 PolarHBondContact OD1-O 3.09Å; N61-T63 PolarHBondContact OD1-OG1 2.88Å
62I75Confident79.8Confident2 Ų287.5 Ų87.51%0.0144%0.441CS..  trans-103-11.7176.953.8176.5000113.6G38 A39 V40 T46 R54 A60G38-I62 VanDerWaalsContact O-CD1 3.25Å; G38-I62 WeakPolarHBondContact O-CD1 3.36Å; A39-I62 WeakPolarHBondContact O-CD1 3.45Å; V40-I62 HydrophobicContact CB-CD1 3.81Å; V40-I62 HydrophobicContact CG1-CD1 4.32Å; V40-I62 HydrophobicContact CG2-CD1 3.44Å; V40-I62 VanDerWaalsContact CG2-CD1 3.44Å; T46-I62 WeakPolarHBondContact CG2-O 3.2Å; R54-I62 HydrophobicContact CB-CG2 3.38Å; R54-I62 HydrophobicContact CG-CG2 3.67Å; R54-I62 VanDerWaalsContact CZ-CG1 3.49Å; A60-I62 PolarHBondContact O-N 2.69Å
63T77.9Confident80.3Confident49 Ų4983.4 Ų83.430%0.30143%0.426SS..SBendtrans-77.1143.5178.464.20000108.8I41 N61I41-T63 HydrophobicContact CB-CG2 4.03Å; I41-T63 HydrophobicContact CD1-CG2 3.6Å; I41-T63 HydrophobicContact CG1-CG2 3.77Å; N61-T63 PolarHBondContact ND2-OG1 3.34Å; N61-T63 WeakPolarHBondContact OD1-CA 3.17Å; N61-T63 WeakPolarHBondContact OD1-CB 3.44Å; N61-T63 PolarHBondContact OD1-N 3.45Å; N61-T63 PolarHBondContact OD1-O 3.09Å; N61-T63 PolarHBondContact OD1-OG1 2.88Å
64L77.8Confident81.1Confident14 Ų1483.5 Ų83.57%0.07343%0.428CS..PPolyproline II helixtrans-80141.6174.2-61.5176.2000108.8D42 L45 T46 H50 G66 K68 R69 L72D42-L64 HydrophobicContact CB-CD1 4.24Å; D42-L64 HydrophobicContact CB-CG 4.33Å; D42-L64 PolarHBondContact OD2-N 3.47Å; L45-L64 HydrophobicContact CB-CD1 3.45Å; L45-L64 VanDerWaalsContact CB-CD1 3.45Å; L45-L64 HydrophobicContact CD1-CD1 4.46Å; T46-L64 HydrophobicContact CG2-CG 4.31Å; H50-L64 WeakPolarHBondContact NE2-CD2 3.45Å; L64-G66 PolarHBondContact O-N 2.97Å; L64-K68 HydrophobicContact CD2-CD 3.92Å; L64-K68 HydrophobicContact CD2-CG 4.48Å; L64-R69 HydrophobicContact CB-CB 4.25Å; L64-L72 HydrophobicContact CD1-CD1 3.8Å
65S84.9Confident82Confident86 Ų8687.9 Ų87.960%0.60145%0.45SS*.PPolyproline II helixtrans-55.2141.2166170.40000109.6K67 K68 R69S65-K67 PolarHBondContact O-N 3.09Å; S65-K67 VanDerWaalsContact O-N 3.09Å; S65-K68 WeakPolarHBondContact O-CA 3.46Å; S65-K68 WeakPolarHBondContact O-CB 3.34Å; S65-K68 PolarHBondContact O-N 3.08Å; S65-R69 PolarHBondContact O-N 2.91Å
66G86.9Confident82.9Confident47 Ų4789.8 Ų89.849%0.48545%0.454SS..Hα-helixtrans-52.7-36.8-176.400000113.7L64 R69 R70L64-G66 PolarHBondContact O-N 2.97Å; G66-R69 PolarHBondContact O-N 3.28Å; G66-R70 WeakPolarHBondContact O-CB 3.46Å; G66-R70 PolarHBondContact O-N 3.41Å
67K90.6Very high84Confident158 Ų15893 Ų9369%0.68745%0.451SS*.Hα-helixtrans-63.7-43.2175.3-174.3175.4-178.1175.90112.1S65 R70 K71S65-K67 PolarHBondContact O-N 3.09Å; S65-K67 VanDerWaalsContact O-N 3.09Å; K67-R70 PolarHBondContact O-N 3.23Å; K67-K71 PolarHBondContact O-N 3.31Å; K67-K71 VanDerWaalsContact O-N 3.08Å
68K86.1Confident85.1Confident96 Ų9694.7 Ų94.742%0.41746%0.456SS..Hα-helixtrans-68.4-43.6179-175.4173.6175.3-169.20111H50 L64 S65 R70 K71 L72H50-K68 PolarHBondContact NE2-NZ 3.49Å; L64-K68 HydrophobicContact CD2-CD 3.92Å; L64-K68 HydrophobicContact CD2-CG 4.48Å; S65-K68 WeakPolarHBondContact O-CA 3.46Å; S65-K68 WeakPolarHBondContact O-CB 3.34Å; S65-K68 PolarHBondContact O-N 3.08Å; K68-R70 VanDerWaalsContact C-N 3.34Å; K68-R70 PolarHBondContact O-N 3.38Å; K68-K71 PolarHBondContact O-N 3.44Å; K68-L72 HydrophobicContact CG-CD1 4.18Å; K68-L72 WeakPolarHBondContact O-CG 3.41Å; K68-L72 PolarHBondContact O-N 3.38Å
69R86.5Confident86.2Confident111 Ų11195 Ų9542%0.41946%0.458SS..Hα-helixtrans-55.6-49.3173.8-175.1-179.7176.2172.6-3.2111.2D42 L45 L64 S65 G66 K71 L72 L73D42-R69 WeakPolarHBondContact OD1-CD 3.33Å; D42-R69 IonicContact OD1-CZ 3.11Å; D42-R69 IonicContact OD1-NE 3.07Å; D42-R69 PolarHBondContact OD1-NE 3.38Å; D42-R69 VanDerWaalsContact OD1-NE 3.07Å; D42-R69 IonicContact OD1-NH1 3.14Å; D42-R69 PolarHBondContact OD1-NH1 3.06Å; D42-R69 VanDerWaalsContact OD1-NH1 3.14Å; D42-R69 IonicContact OD1-NH2 3.87Å; L45-R69 HydrophobicContact CD1-CG 3.69Å; L64-R69 HydrophobicContact CB-CB 4.25Å; S65-R69 PolarHBondContact O-N 2.91Å; G66-R69 PolarHBondContact O-N 3.28Å; R69-K71 PolarHBondContact O-N 3.39Å; R69-L72 PolarHBondContact O-N 3.46Å; R69-L73 HydrophobicContact CG-CD1 4.09Å; R69-L73 WeakPolarHBondContact O-CG 3.36Å; R69-L73 PolarHBondContact O-N 3.24Å; R69-L73 VanDerWaalsContact O-N 3.09Å
70R91.4Very high87.2Confident194 Ų19489.8 Ų89.873%0.73244%0.444SS*.Hα-helixtrans-59.5-46.7178.6-171.3-175-61171.30.5112.5G66 K67 K68 L73 Q74G66-R70 WeakPolarHBondContact O-CB 3.46Å; G66-R70 PolarHBondContact O-N 3.41Å; K67-R70 PolarHBondContact O-N 3.23Å; K68-R70 VanDerWaalsContact C-N 3.34Å; K68-R70 PolarHBondContact O-N 3.38Å; R70-L73 PolarHBondContact O-N 2.93Å; R70-Q74 WeakPolarHBondContact O-CB 3.36Å; R70-Q74 PolarHBondContact O-N 3.12Å
71K92.7Very high88.1Confident126 Ų12695.9 Ų95.955%0.54847%0.466SS..Hα-helixtrans-63.7-42.9179.9-77.1-148.1173.9-165.50112.8K67 K68 R69 Q74 Q75K67-K71 PolarHBondContact O-N 3.31Å; K67-K71 VanDerWaalsContact O-N 3.08Å; K68-K71 PolarHBondContact O-N 3.44Å; R69-K71 PolarHBondContact O-N 3.39Å; K71-Q74 WeakPolarHBondContact O-CB 3.25Å; K71-Q74 PolarHBondContact O-N 3.49Å; K71-Q75 WeakPolarHBondContact O-CG 3.46Å; K71-Q75 PolarHBondContact O-N 3Å
72L89.3Confident89Confident47 Ų4796.5 Ų96.525%0.24647%0.465CS..Hα-helixtrans-64.8-42.3178.5-70.1170.5000111.6L45 L64 K68 R69 Q74 Q75 I76L45-L72 HydrophobicContact CB-CD1 4.34Å; L45-L72 HydrophobicContact CD2-CB 3.91Å; L64-L72 HydrophobicContact CD1-CD1 3.8Å; K68-L72 HydrophobicContact CG-CD1 4.18Å; K68-L72 WeakPolarHBondContact O-CG 3.41Å; K68-L72 PolarHBondContact O-N 3.38Å; R69-L72 PolarHBondContact O-N 3.46Å; L72-Q74 VanDerWaalsContact C-N 3.29Å; L72-Q74 PolarHBondContact O-N 3.14Å; L72-Q75 PolarHBondContact O-N 3.47Å; L72-I76 WeakPolarHBondContact O-CG1 3.39Å; L72-I76 PolarHBondContact O-N 3.05Å
73L90.4Very high89.8Confident65 Ų65103.5 Ų103.534%0.3450%0.495SS..Hα-helixtrans-62.1-38.1174.6-72.2170.1000112.1L45 R69 R70 I76 R77L45-L73 HydrophobicContact CD1-CD1 4.29Å; L45-L73 HydrophobicContact CD1-CD2 4.01Å; L45-L73 HydrophobicContact CD1-CG 3.87Å; L45-L73 HydrophobicContact CD2-CD2 4.13Å; L45-L73 HydrophobicContact CD2-CG 4.38Å; R69-L73 HydrophobicContact CG-CD1 4.09Å; R69-L73 WeakPolarHBondContact O-CG 3.36Å; R69-L73 PolarHBondContact O-N 3.24Å; R69-L73 VanDerWaalsContact O-N 3.09Å; R70-L73 PolarHBondContact O-N 2.93Å; L73-I76 PolarHBondContact O-N 3.37Å; L73-R77 VanDerWaalsContact O-CG 3.31Å; L73-R77 WeakPolarHBondContact O-CG 3.22Å; L73-R77 PolarHBondContact O-N 3.13Å
74Q93.8Very high90.4Very high117 Ų117103.5 Ų103.555%0.54750%0.5SS..Hα-helixtrans-64.2-43.7176-172178.422.600111.7R70 K71 L72 R77 L78R70-Q74 WeakPolarHBondContact O-CB 3.36Å; R70-Q74 PolarHBondContact O-N 3.12Å; K71-Q74 WeakPolarHBondContact O-CB 3.25Å; K71-Q74 PolarHBondContact O-N 3.49Å; L72-Q74 VanDerWaalsContact C-N 3.29Å; L72-Q74 PolarHBondContact O-N 3.14Å; Q74-R77 PolarHBondContact O-N 3.34Å; Q74-L78 HydrophobicContact CG-CD1 4.49Å; Q74-L78 WeakPolarHBondContact O-CG 3.01Å; Q74-L78 PolarHBondContact O-N 3.34Å
75Q92.6Very high91Very high123 Ų123105.5 Ų105.558%0.57552%0.519SS*.Hα-helixtrans-62.5-44.8177.1-73.5176.2-20.400111.9K71 L72 R77 L78 A79K71-Q75 WeakPolarHBondContact O-CG 3.46Å; K71-Q75 PolarHBondContact O-N 3Å; L72-Q75 PolarHBondContact O-N 3.47Å; Q75-R77 VanDerWaalsContact C-N 3.31Å; Q75-R77 PolarHBondContact O-N 2.99Å; Q75-L78 PolarHBondContact O-N 3.34Å; Q75-A79 WeakPolarHBondContact O-CB 3.46Å; Q75-A79 PolarHBondContact O-N 3.34Å
76I91.9Very high90.8Very high74 Ų74108.3 Ų108.338%0.37952%0.524SS..Hα-helixtrans-60-43.4176.8-68.5166.2000110.6L45 L72 L73 L78 A79 Q80L45-I76 HydrophobicContact CD2-CD1 3.63Å; L72-I76 WeakPolarHBondContact O-CG1 3.39Å; L72-I76 PolarHBondContact O-N 3.05Å; L73-I76 PolarHBondContact O-N 3.37Å; I76-L78 PolarHBondContact O-N 3.19Å; I76-A79 PolarHBondContact O-N 3.33Å; I76-Q80 HydrophobicContact CG2-CG 4.42Å; I76-Q80 WeakPolarHBondContact O-CB 3.21Å; I76-Q80 VanDerWaalsContact O-CG 3.26Å; I76-Q80 WeakPolarHBondContact O-CG 3.5Å; I76-Q80 PolarHBondContact O-N 3.05Å
77R93.7Very high90.5Very high164 Ų164112.1 Ų112.162%0.61953%0.529SS*.Hα-helixtrans-61.6-42.8176.8-74.5175.3-171.4175.21.2112.7L73 Q74 Q75 Q80 K81L73-R77 VanDerWaalsContact O-CG 3.31Å; L73-R77 WeakPolarHBondContact O-CG 3.22Å; L73-R77 PolarHBondContact O-N 3.13Å; Q74-R77 PolarHBondContact O-N 3.34Å; Q75-R77 VanDerWaalsContact C-N 3.31Å; Q75-R77 PolarHBondContact O-N 2.99Å; R77-Q80 PolarHBondContact O-N 3.26Å; R77-K81 WeakPolarHBondContact O-CG 3.43Å; R77-K81 PolarHBondContact O-N 2.89Å; R77-K81 VanDerWaalsContact O-N 3.1Å
78L95.6Very high89.9Confident91 Ų91109.1 Ų109.148%0.47652%0.524SS..Hα-helixtrans-64.7-48.6178-71.1172.5000111Q74 Q75 I76 Q80 K81 E82Q74-L78 HydrophobicContact CG-CD1 4.49Å; Q74-L78 WeakPolarHBondContact O-CG 3.01Å; Q74-L78 PolarHBondContact O-N 3.34Å; Q75-L78 PolarHBondContact O-N 3.34Å; I76-L78 PolarHBondContact O-N 3.19Å; L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 2.88Å; L78-K81 WeakPolarHBondContact O-CB 3.44Å; L78-K81 PolarHBondContact O-N 3.35Å; L78-K81 VanDerWaalsContact O-N 3.08Å; L78-E82 WeakPolarHBondContact O-CG 3.41Å; L78-E82 PolarHBondContact O-N 2.92Å
79A93.3Very high89.2Confident54 Ų54111.1 Ų111.145%0.44654%0.539SS..Hα-helixtrans-59.6-36.9177.700000112.7Q75 I76 K83Q75-A79 WeakPolarHBondContact O-CB 3.46Å; Q75-A79 PolarHBondContact O-N 3.34Å; I76-A79 PolarHBondContact O-N 3.33Å; A79-K83 VanDerWaalsContact O-CB 3.29Å; A79-K83 WeakPolarHBondContact O-CB 3.17Å; A79-K83 PolarHBondContact O-N 2.84Å
80Q93Very high88.3Confident123 Ų123116.9 Ų116.958%0.57556%0.56SS**Hα-helixtrans-66.2-41.7174.7-76.8174.2-15.300112.4I76 R77 L78 K83 A84I76-Q80 HydrophobicContact CG2-CG 4.42Å; I76-Q80 WeakPolarHBondContact O-CB 3.21Å; I76-Q80 VanDerWaalsContact O-CG 3.26Å; I76-Q80 WeakPolarHBondContact O-CG 3.5Å; I76-Q80 PolarHBondContact O-N 3.05Å; R77-Q80 PolarHBondContact O-N 3.26Å; L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 2.88Å; Q80-K83 PolarHBondContact O-N 3.23Å; Q80-A84 WeakPolarHBondContact O-CB 3.32Å; Q80-A84 PolarHBondContact O-N 3.38Å
81K93.6Very high87.1Confident154 Ų154111.9 Ų111.967%0.6756%0.555SS**Hα-helixtrans-63.8-44.9175.9-74.7-177.8176.3-168.10111.8R77 L78 A84 A85R77-K81 WeakPolarHBondContact O-CG 3.43Å; R77-K81 PolarHBondContact O-N 2.89Å; R77-K81 VanDerWaalsContact O-N 3.1Å; L78-K81 WeakPolarHBondContact O-CB 3.44Å; L78-K81 PolarHBondContact O-N 3.35Å; L78-K81 VanDerWaalsContact O-N 3.08Å; K81-A84 PolarHBondContact O-N 3.12Å; K81-A85 WeakPolarHBondContact O-CB 3.06Å; K81-A85 PolarHBondContact O-N 3.28Å
82E92.2Very high85.3Confident131 Ų131109.7 Ų109.761%0.61256%0.555SS**Hα-helixtrans-61.7-45.3176.9-71.5171.2-17400111.5L78 A84 A85 M86L78-E82 WeakPolarHBondContact O-CG 3.41Å; L78-E82 PolarHBondContact O-N 2.92Å; E82-A84 PolarHBondContact O-N 3.11Å; E82-A85 PolarHBondContact O-N 3.27Å; E82-M86 PolarHBondContact O-N 3.01Å
83K92.7Very high84Confident149 Ų149112.9 Ų112.965%0.64858%0.578SS**Hα-helixtrans-60.4-45.7176.5-172.5-179.2177.3-172.80111.7A79 Q80 M86 E87A79-K83 VanDerWaalsContact O-CB 3.29Å; A79-K83 WeakPolarHBondContact O-CB 3.17Å; A79-K83 PolarHBondContact O-N 2.84Å; Q80-K83 PolarHBondContact O-N 3.23Å; K83-M86 PolarHBondContact O-N 3.45Å; K83-E87 WeakPolarHBondContact O-CB 3.42Å; K83-E87 PolarHBondContact O-N 2.95Å
84A89.9Confident82.7Confident50 Ų50119.3 Ų119.341%0.41360%0.603SS.*Hα-helixtrans-63.7-41.2177.900000112.1Q80 K81 E82 M86 E87 V88Q80-A84 WeakPolarHBondContact O-CB 3.32Å; Q80-A84 PolarHBondContact O-N 3.38Å; K81-A84 PolarHBondContact O-N 3.12Å; E82-A84 PolarHBondContact O-N 3.11Å; A84-M86 PolarHBondContact O-N 3.06Å; A84-E87 PolarHBondContact O-N 3.23Å; A84-V88 WeakPolarHBondContact O-CG2 3.24Å; A84-V88 PolarHBondContact O-N 3.29Å
85A89.4Confident81.2Confident56 Ų56123.1 Ų123.146%0.46362%0.618SS.*Hα-helixtrans-63.1-41.5176.300000112.2K81 E82 V88 L89K81-A85 WeakPolarHBondContact O-CB 3.06Å; K81-A85 PolarHBondContact O-N 3.28Å; E82-A85 PolarHBondContact O-N 3.27Å; A85-V88 PolarHBondContact O-N 3.4Å; A85-L89 PolarHBondContact O-N 2.9Å; A85-L89 VanDerWaalsContact O-N 3.14Å
86M80.9Confident79.6Confident144 Ų144121.6 Ų121.671%0.70962%0.621SS**Hα-helixtrans-65-38.1174.1-90.6-157.1159.700113E82 K83 A84 L89 R90E82-M86 PolarHBondContact O-N 3.01Å; K83-M86 PolarHBondContact O-N 3.45Å; A84-M86 PolarHBondContact O-N 3.06Å; M86-L89 PolarHBondContact O-N 3.01Å; M86-R90 WeakPolarHBondContact O-CB 3.42Å; M86-R90 PolarHBondContact O-N 3.24Å
87E81.9Confident78.1Confident127 Ų127130 Ų13059%0.59365%0.648SS**Hα-helixtrans-65.4-41.5178.5-168.316917600111.5K83 A84 L89 R90 S91K83-E87 WeakPolarHBondContact O-CB 3.42Å; K83-E87 PolarHBondContact O-N 2.95Å; A84-E87 PolarHBondContact O-N 3.23Å; E87-L89 PolarHBondContact O-N 3.36Å; E87-R90 WeakPolarHBondContact O-CB 3.43Å; E87-R90 PolarHBondContact O-N 3.11Å; E87-R90 VanDerWaalsContact O-N 3.16Å; E87-S91 WeakPolarHBondContact O-CB 3.45Å; E87-S91 PolarHBondContact O-N 2.94Å; E87-S91 PolarHBondContact O-OG 3.44Å
88V77.8Confident76.3Confident95 Ų95129.1 Ų129.158%0.57666%0.655SS**Hα-helixtrans-63.5-40.3174.4172.90000112.1A84 A85 R90 S91 C92A84-V88 WeakPolarHBondContact O-CG2 3.24Å; A84-V88 PolarHBondContact O-N 3.29Å; A85-V88 PolarHBondContact O-N 3.4Å; V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3.46Å; V88-S91 PolarHBondContact O-N 2.74Å; V88-S91 PolarHBondContact O-OG 3.42Å; V88-C92 WeakPolarHBondContact O-CB 3.25Å; V88-C92 PolarHBondContact O-N 2.91Å
89L69.8Low74Confident138 Ų138138 Ų13872%0.72369%0.69SS**Hα-helixtrans-65.1-33.4173.7-83.5159.7000112.7A85 M86 E87A85-L89 PolarHBondContact O-N 2.9Å; A85-L89 VanDerWaalsContact O-N 3.14Å; M86-L89 PolarHBondContact O-N 3.01Å; E87-L89 PolarHBondContact O-N 3.36Å
90R69.5Low73.1Confident232 Ų232142.2 Ų142.288%0.87570%0.702SS**Hα-helixtrans-75.4-36.4176.4-99.7178.5155.7173.5-5.6113.1M86 E87 V88M86-R90 WeakPolarHBondContact O-CB 3.42Å; M86-R90 PolarHBondContact O-N 3.24Å; E87-R90 WeakPolarHBondContact O-CB 3.43Å; E87-R90 PolarHBondContact O-N 3.11Å; E87-R90 VanDerWaalsContact O-N 3.16Å; V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3.46Å
91S65.8Low72Confident90 Ų90143.2 Ų143.263%0.62971%0.709SS**Hα-helixtrans-82.1-16.7179.871.80000112.9E87 V88 P93E87-S91 WeakPolarHBondContact O-CB 3.45Å; E87-S91 PolarHBondContact O-N 2.94Å; E87-S91 PolarHBondContact O-OG 3.44Å; V88-S91 PolarHBondContact O-N 2.74Å; V88-S91 PolarHBondContact O-OG 3.42Å; S91-P93 WeakPolarHBondContact O-CD 3.48Å
92C55Low70.8Confident80 Ų80142.6 Ų142.654%0.54171%0.711SS.*SBendtrans-61.7118171.9-121.40000108.5V88 K94V88-C92 WeakPolarHBondContact O-CB 3.25Å; V88-C92 PolarHBondContact O-N 2.91Å; C92-K94 PolarHBondContact O-N 3.16Å
93P61.5Low69.6Low113 Ų113143.3 Ų143.373%0.73472%0.717SS**  trans-59.6119.3177.323.7-30.9000107.1S91 K95S91-P93 WeakPolarHBondContact O-CD 3.48Å; P93-K95 PolarHBondContact O-N 3.32Å
94K62.6Low68.1Low200 Ų200142.9 Ų142.987%0.8772%0.721SS**  trans-56109.9167.8-70.5-171.6179.8-179.20104.9C92 S96C92-K94 PolarHBondContact O-N 3.16Å; K94-S96 PolarHBondContact O-N 3.05Å
95K61.8Low66.7Low198 Ų198149.1 Ų149.186%0.86174%0.742SS**  trans-55.399.9169.4-76-176.3178.2-177.10105.1P93 R97P93-K95 PolarHBondContact O-N 3.32Å; K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 2.89Å
96S59.6Low65.1Low91 Ų91155.8 Ų155.864%0.63676%0.762SS**  trans-58.5106166.547.60000103.7K94 L98K94-S96 PolarHBondContact O-N 3.05Å; S96-L98 PolarHBondContact O-N 3.18Å
97R60.8Low63.8Low251 Ų251156.7 Ų156.795%0.94777%0.766SS**  trans-6290.8162.6-77.1-175.9-176.5176.80.1104.7K95K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 2.89Å
98L56.3Low62.3Low144 Ų144159.2 Ų159.275%0.75478%0.78SS**  trans-70.6120.8159.8-79.9159.2000104.8S96S96-L98 PolarHBondContact O-N 3.18Å
99F47.7Very low60.9Low278 Ų278165 Ų165100%1.21980%0.799SS**  trans7.60170.4-68.1-86.4000117.6

Retrieved 99 of 99 residues in 229.2 ms (Link to these results)