A0A077Z0B7_TRITR Loading...

ASXH domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0B7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 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
1M38.7Very low39.2Very low248 Ų248140.9 Ų140.9100%1.22282%0.819SS**  0103.50-77.7177.9156.100108.4S3M1-S3 PolarHBondContact O-N 3.11Å
2G36.9Very low39.3Very low80 Ų80142 Ų14283%0.82582%0.819SS**  trans-77.3114.1-17200000111.9R4G2-R4 PolarHBondContact O-N 2.91Å; G2-R4 VanDerWaalsContact O-N 3.11Å
3S38.9Very low39.1Very low110 Ų110133.5 Ų133.577%0.76978%0.781SS**  trans-63.5104.6177.3-162.60000110.2M1 R5M1-S3 PolarHBondContact O-N 3.11Å; S3-R5 PolarHBondContact O-N 2.72Å
4R43Very low38.9Very low242 Ų242131.6 Ų131.691%0.91377%0.771SS**  trans-6997.7166.1-78.1-173.6-177.5-167.11107.4G2 S6G2-R4 PolarHBondContact O-N 2.91Å; G2-R4 VanDerWaalsContact O-N 3.11Å; R4-S6 PolarHBondContact O-N 2.61Å
5R37.1Very low38.8Very low224 Ų224126.5 Ų126.585%0.84575%0.745SS**  trans-63.6104164.4-66.2-175.7-167-1723.4106.9S3 L7S3-R5 PolarHBondContact O-N 2.72Å; R5-L7 PolarHBondContact O-N 3.31Å; R5-L7 VanDerWaalsContact O-N 3.1Å
6S38.8Very low38.7Very low110 Ų110122.1 Ų122.177%0.76972%0.723SS**  trans-52.5113.2162.5-175.10000106.9R4 G8R4-S6 PolarHBondContact O-N 2.61Å; S6-G8 VanDerWaalsContact C-N 3.26Å; S6-G8 PolarHBondContact O-N 2.87Å
7L38.6Very low38.9Very low172 Ų172120.8 Ų120.890%0.90172%0.722SS**  trans-64.597.3168.4-75.5162.3000105.5R5 A9R5-L7 PolarHBondContact O-N 3.31Å; R5-L7 VanDerWaalsContact O-N 3.1Å; L7-A9 PolarHBondContact O-N 3.43Å
8G32.6Very low38.6Very low64 Ų64118.8 Ų118.866%0.6672%0.721SS**PPolyproline II helixtrans-52.7123.4179.200000109.2S6S6-G8 VanDerWaalsContact C-N 3.26Å; S6-G8 PolarHBondContact O-N 2.87Å
9A41.9Very low38.6Very low89 Ų89119.3 Ų119.374%0.73672%0.723SS**PPolyproline II helixtrans-47.4138.4164.200000108.5L7L7-A9 PolarHBondContact O-N 3.43Å
10P41.9Very low38.8Very low92 Ų92119.4 Ų119.460%0.59772%0.719SS**PPolyproline II helixtrans-57.7136.3174.826.6-32.3000107.5D12P10-D12 PolarHBondContact O-N 3.46Å
11P43Very low38.6Very low119 Ų119116.2 Ų116.277%0.77371%0.711SS**PPolyproline II helixtrans-55.3133.5-178.925-32.6000107.5G13P11-G13 PolarHBondContact O-N 3.15Å
12D40.7Very low38.9Very low154 Ų154114.9 Ų114.982%0.82470%0.698SS**  trans-32.4105.1176.7-81.7-68.8000109.2P10 V14P10-D12 PolarHBondContact O-N 3.46Å; D12-V14 WeakPolarHBondContact O-CG2 3.46Å; D12-V14 PolarHBondContact O-N 2.98Å
13G36.4Very low39.7Very low31 Ų31121.4 Ų121.432%0.3270%0.698SS.*  trans-66.687.7-177.200000106.3P11 C15 Q97P11-G13 PolarHBondContact O-N 3.15Å; G13-C15 PolarHBondContact O-N 3.45Å; G13-Q97 PolarHBondContact O-NE2 3.4Å
14V36.4Very low40.6Very low107 Ų107127.3 Ų127.365%0.64870%0.703SS**  trans-57.7110.9164.4-165.80000103.4D12 S16D12-V14 WeakPolarHBondContact O-CG2 3.46Å; D12-V14 PolarHBondContact O-N 2.98Å; V14-S16 WeakPolarHBondContact CB-OG 3.49Å; V14-S16 WeakPolarHBondContact CG1-OG 3.38Å; V14-S16 PolarHBondContact O-N 3.47Å
15C37.1Very low41.7Very low56 Ų56119 Ų11938%0.37868%0.676SS.*  trans-59.777.7149.2-1280000102.8G13 S17 Q97 C101G13-C15 PolarHBondContact O-N 3.45Å; C15-S17 PolarHBondContact O-N 3.49Å; C15-Q97 PolarHBondContact SG-OE1 2.88Å; C15-Q97 VanDerWaalsContact SG-OE1 3.38Å; C15-C101 WeakPolarHBondContact CB-SG 3.42Å; C15-C101 WeakPolarHBondContact SG-CB 3.1Å; C15-C101 CovalentContact SG-SG 2.09Å; C15-C101 PolarHBondContact SG-SG 2.9Å
16S36.7Very low43.4Very low55 Ų55110.8 Ų110.839%0.38565%0.654SS.*  trans-72.582.3-177.6-101.60000104.5V14 A18 V19V14-S16 WeakPolarHBondContact CB-OG 3.49Å; V14-S16 WeakPolarHBondContact CG1-OG 3.38Å; V14-S16 PolarHBondContact O-N 3.47Å; S16-A18 PolarHBondContact O-N 3.01Å; S16-V19 PolarHBondContact O-N 3.21Å
17S42.2Very low45Very low101 Ų101114.3 Ų114.371%0.70666%0.655SS**G310 helixtrans-46.3-20.2153.5-162.40000110.5C15 V19 L20C15-S17 PolarHBondContact O-N 3.49Å; S17-V19 VanDerWaalsContact C-N 3.32Å; S17-V19 PolarHBondContact O-N 3.49Å; S17-L20 PolarHBondContact O-N 3.34Å
18A33.8Very low46.6Very low85 Ų85114.2 Ų114.270%0.70265%0.648SS**G310 helixtrans-60.1-21.4172.200000116.6S16S16-A18 PolarHBondContact O-N 3.01Å
19V38.7Very low48.3Very low127 Ų127115.6 Ų115.677%0.7764%0.637SS**G310 helixtrans-116.413.7175-153.80000113S16 S17 G21S16-V19 PolarHBondContact O-N 3.21Å; S17-V19 VanDerWaalsContact C-N 3.32Å; S17-V19 PolarHBondContact O-N 3.49Å; V19-G21 PolarHBondContact O-N 2.86Å
20L42.5Very low49.6Very low122 Ų122115.8 Ų115.864%0.63962%0.621SS**SBendtrans-85.577.9141.1-99.895.1000105.7S17 K22S17-L20 PolarHBondContact O-N 3.34Å; L20-K22 PolarHBondContact O-N 3.47Å
21G35.4Very low51Low53 Ų53114.1 Ų114.155%0.54661%0.612SS.*  trans-43134.5165.200000107.5V19 R23V19-G21 PolarHBondContact O-N 2.86Å; G21-R23 WeakPolarHBondContact O-CA 3.3Å; G21-R23 VanDerWaalsContact O-CB 3.29Å; G21-R23 WeakPolarHBondContact O-CB 3.49Å; G21-R23 PolarHBondContact O-N 3.48Å
22K44.4Very low52.4Low219 Ų219111.3 Ų111.395%0.95259%0.594SS**SBendtrans-46.558.8-166.5-66.2174.2177.3171.60114.8L20 R24L20-K22 PolarHBondContact O-N 3.47Å; K22-R24 PolarHBondContact O-N 3.31Å
23R52.9Low53.8Low218 Ų218105.9 Ų105.982%0.82357%0.567SS**  trans-87.8116.2-174.4-147.9178.6-172.9-166.51.7103G21 L25G21-R23 WeakPolarHBondContact O-CA 3.3Å; G21-R23 VanDerWaalsContact O-CB 3.29Å; G21-R23 WeakPolarHBondContact O-CB 3.49Å; G21-R23 PolarHBondContact O-N 3.48Å; R23-L25 VanDerWaalsContact C-N 3.35Å; R23-L25 PolarHBondContact O-N 3.43Å
24R59.1Low55.5Low233 Ų233104.4 Ų104.488%0.87955%0.552SS**  trans-60.2106172.2-72.5-175.6-179.9-176.30.9106.4K22 S26K22-R24 PolarHBondContact O-N 3.31Å; R24-S26 PolarHBondContact O-N 3.07Å
25L65.2Low57.5Low67 Ų67105 Ų10535%0.35155%0.55SS.*  trans-48.6130.4170-80.5145.7000108.3R23 E29 K30R23-L25 VanDerWaalsContact C-N 3.35Å; R23-L25 PolarHBondContact O-N 3.43Å; L25-E29 HydrophobicContact CB-CB 4.31Å; L25-E29 HydrophobicContact CD2-CB 3.49Å; L25-E29 VanDerWaalsContact CD2-CB 3.49Å; L25-E29 HydrophobicContact CD2-CG 4.2Å; L25-K30 HydrophobicContact CB-CD 4.45Å; L25-K30 HydrophobicContact CB-CG 3.74Å; L25-K30 WeakPolarHBondContact O-CE 3.24Å; L25-K30 PolarHBondContact O-NZ 2.83Å
26S73.3Confident59.3Low53 Ų53106.1 Ų106.137%0.37155%0.552SS.*  trans-58.5159.4174.866.40000110R24 K28 E29 K30R24-S26 PolarHBondContact O-N 3.07Å; S26-K28 PolarHBondContact O-N 3.17Å; S26-E29 WeakPolarHBondContact CB-OE2 3.4Å; S26-E29 PolarHBondContact N-OE2 3.08Å; S26-E29 PolarHBondContact O-N 2.97Å; S26-E29 VanDerWaalsContact OG-CG 3.28Å; S26-E29 WeakPolarHBondContact OG-CG 3.26Å; S26-E29 PolarHBondContact OG-N 3.09Å; S26-E29 VanDerWaalsContact OG-N 3.17Å; S26-E29 PolarHBondContact OG-OE2 2.94Å; S26-K30 WeakPolarHBondContact O-CG 3.24Å; S26-K30 PolarHBondContact O-N 3.27Å
27K72.1Confident61.3Low184 Ų184105.1 Ų105.180%0.854%0.544SS*.Hα-helixtrans-55.9-38.7176.7-169.4175.1-179.1179.20111S31K27-S31 PolarHBondContact O-N 2.75Å; K27-S31 VanDerWaalsContact O-N 3.1Å; K27-S31 PolarHBondContact O-OG 3.43Å
28K71.6Confident62.8Low170 Ų170101.5 Ų101.574%0.73952%0.52SS*.Hα-helixtrans-62.3-51.2176.9-169.2179.6-176.7-177.20111.7S26 K30 S31 S32S26-K28 PolarHBondContact O-N 3.17Å; K28-K30 VanDerWaalsContact C-N 3.34Å; K28-K30 PolarHBondContact O-N 3.45Å; K28-S31 PolarHBondContact O-N 2.88Å; K28-S32 PolarHBondContact O-N 2.91Å; K28-S32 PolarHBondContact O-OG 3.14Å
29E68.8Low64.8Low93 Ų93104.6 Ų104.644%0.43552%0.518SS..Hα-helixtrans-62-41.6179.5-70.5163.4125.800111.9L25 S26 S31 S32 T33L25-E29 HydrophobicContact CB-CB 4.31Å; L25-E29 HydrophobicContact CD2-CB 3.49Å; L25-E29 VanDerWaalsContact CD2-CB 3.49Å; L25-E29 HydrophobicContact CD2-CG 4.2Å; S26-E29 WeakPolarHBondContact CB-OE2 3.4Å; S26-E29 PolarHBondContact N-OE2 3.08Å; S26-E29 PolarHBondContact O-N 2.97Å; S26-E29 VanDerWaalsContact OG-CG 3.28Å; S26-E29 WeakPolarHBondContact OG-CG 3.26Å; S26-E29 PolarHBondContact OG-N 3.09Å; S26-E29 VanDerWaalsContact OG-N 3.17Å; S26-E29 PolarHBondContact OG-OE2 2.94Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 2.99Å; E29-S32 PolarHBondContact O-N 3.03Å; E29-T33 PolarHBondContact O-N 3.29Å; E29-T33 PolarHBondContact O-OG1 3.16Å
30K69.5Low66.7Low93 Ų9399 Ų9940%0.40448%0.484SS..Hα-helixtrans-59.3-42.6175.9-70.9173.2179.2160.30112.2L25 S26 K28 A34 P108L25-K30 HydrophobicContact CB-CD 4.45Å; L25-K30 HydrophobicContact CB-CG 3.74Å; L25-K30 WeakPolarHBondContact O-CE 3.24Å; L25-K30 PolarHBondContact O-NZ 2.83Å; S26-K30 WeakPolarHBondContact O-CG 3.24Å; S26-K30 PolarHBondContact O-N 3.27Å; K28-K30 VanDerWaalsContact C-N 3.34Å; K28-K30 PolarHBondContact O-N 3.45Å; K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.12Å; K30-P108 HydrophobicContact CB-CG 4.48Å
31S72Confident68.2Low57 Ų5794.3 Ų94.340%0.39947%0.465SS..Hα-helixtrans-65.6-42.1176.4-67.80000111.8K27 K28 E29 A34 L35K27-S31 PolarHBondContact O-N 2.75Å; K27-S31 VanDerWaalsContact O-N 3.1Å; K27-S31 PolarHBondContact O-OG 3.43Å; K28-S31 PolarHBondContact O-N 2.88Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 2.99Å; S31-A34 PolarHBondContact O-N 3.29Å; S31-L35 WeakPolarHBondContact O-CB 3.46Å; S31-L35 PolarHBondContact O-N 3.24Å
32S71.6Confident70Confident59 Ų5999.6 Ų99.641%0.41348%0.481SS..Hα-helixtrans-65.5-46176.7-62.60000112.5K28 E29 A34 L35 L36K28-S32 PolarHBondContact O-N 2.91Å; K28-S32 PolarHBondContact O-OG 3.14Å; E29-S32 PolarHBondContact O-N 3.03Å; S32-A34 VanDerWaalsContact C-N 3.28Å; S32-A34 PolarHBondContact O-N 3.04Å; S32-L35 PolarHBondContact O-N 2.76Å; S32-L36 WeakPolarHBondContact O-CG 3.44Å; S32-L36 PolarHBondContact O-N 3.22Å
33T71.2Confident71.6Confident40 Ų4095 Ų9525%0.24546%0.457CS..Hα-helixtrans-60.1-41.6175.2-54.10000110.9E29 L36 V37 L102 A105E29-T33 PolarHBondContact O-N 3.29Å; E29-T33 PolarHBondContact O-OG1 3.16Å; T33-L36 PolarHBondContact O-N 2.94Å; T33-V37 WeakPolarHBondContact O-CG2 3.47Å; T33-V37 PolarHBondContact O-N 3.19Å; T33-L102 HydrophobicContact CG2-CD2 4.42Å; T33-A105 HydrophobicContact CG2-CB 3.68Å
34A71.6Confident73Confident0 Ų088.7 Ų88.70%045%0.445CS..Hα-helixtrans-65.1-40.1177.300000113.1K30 S31 S32 V37 A38 V107 L111K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.12Å; S31-A34 PolarHBondContact O-N 3.29Å; S32-A34 VanDerWaalsContact C-N 3.28Å; S32-A34 PolarHBondContact O-N 3.04Å; A34-V37 PolarHBondContact O-N 2.63Å; A34-A38 WeakPolarHBondContact O-CB 3.31Å; A34-A38 PolarHBondContact O-N 2.89Å; A34-V107 HydrophobicContact CB-CG1 3.61Å; A34-L111 HydrophobicContact CB-CB 3.81Å; A34-L111 HydrophobicContact CB-CD1 3.24Å; A34-L111 HydrophobicContact CB-CG 4.04Å
35L76.8Confident74.3Confident119 Ų11978.1 Ų78.162%0.62341%0.406SS*.Hα-helixtrans-64.8-41174.2-173.868.3000111.4S31 S32 A38 F39S31-L35 WeakPolarHBondContact O-CB 3.46Å; S31-L35 PolarHBondContact O-N 3.24Å; S32-L35 PolarHBondContact O-N 2.76Å; L35-A38 WeakPolarHBondContact O-CB 3.48Å; L35-A38 PolarHBondContact O-N 2.82Å; L35-F39 WeakPolarHBondContact O-CB 3.45Å; L35-F39 PolarHBondContact O-N 3.17Å
36L76.6Confident75.3Confident80 Ų8079.1 Ų79.142%0.41941%0.408SS..Hα-helixtrans-62.6-46175.2-76.8167.3000111.6S32 T33 A38 F39 V40 L102S32-L36 WeakPolarHBondContact O-CG 3.44Å; S32-L36 PolarHBondContact O-N 3.22Å; T33-L36 PolarHBondContact O-N 2.94Å; L36-A38 PolarHBondContact O-N 3.41Å; L36-F39 PolarHBondContact O-N 3.02Å; L36-V40 WeakPolarHBondContact O-CB 3.22Å; L36-V40 VanDerWaalsContact O-CG2 3.31Å; L36-V40 WeakPolarHBondContact O-CG2 3.3Å; L36-V40 PolarHBondContact O-N 3.21Å; L36-L102 HydrophobicContact CB-CD2 4.2Å
37V77.4Confident76Confident34 Ų3479.6 Ų79.621%0.20641%0.411CS..Hα-helixtrans-59.6-39.9174172.40000110.7T33 A34 G41 L102 V107T33-V37 WeakPolarHBondContact O-CG2 3.47Å; T33-V37 PolarHBondContact O-N 3.19Å; A34-V37 PolarHBondContact O-N 2.63Å; V37-G41 WeakPolarHBondContact O-CA 3.46Å; V37-G41 PolarHBondContact O-N 3.25Å; V37-L102 HydrophobicContact CG2-CB 4.09Å; V37-L102 HydrophobicContact CG2-CD2 3.98Å; V37-L102 WeakPolarHBondContact CG2-O 3.31Å; V37-V107 HydrophobicContact CB-CG2 3.87Å; V37-V107 HydrophobicContact CG1-CG2 3.97Å; V37-V107 HydrophobicContact CG2-CG2 3.64Å
38A73.7Confident76.7Confident25 Ų2572.8 Ų72.821%0.20738%0.383CS..Hα-helixtrans-63.9-43.4177.400000112.9A34 L35 L36 T115A34-A38 WeakPolarHBondContact O-CB 3.31Å; A34-A38 PolarHBondContact O-N 2.89Å; L35-A38 WeakPolarHBondContact O-CB 3.48Å; L35-A38 PolarHBondContact O-N 2.82Å; L36-A38 PolarHBondContact O-N 3.41Å; A38-T115 HydrophobicContact CB-CG2 3.93Å; A38-T115 WeakPolarHBondContact CB-OG1 3.34Å
39F76.4Confident77.4Confident150 Ų15067.6 Ų67.666%0.65837%0.366SS*.Hα-helixtrans-71.9-46.5-176.9-175.6-96.1000112.3L35 L36 G41 L48L35-F39 WeakPolarHBondContact O-CB 3.45Å; L35-F39 PolarHBondContact O-N 3.17Å; L36-F39 PolarHBondContact O-N 3.02Å; F39-G41 VanDerWaalsContact C-N 3.32Å; F39-L48 HydrophobicContact CD1-CD1 4.48Å; F39-L48 HydrophobicContact CE1-CD1 4.35Å
40V78.7Confident78.3Confident11 Ų1165 Ų657%0.06736%0.356CS..Hα-helixtrans-65.9-40.3176.9177.30000109.8L36 N42 R43 V45 L48 L102L36-V40 WeakPolarHBondContact O-CB 3.22Å; L36-V40 VanDerWaalsContact O-CG2 3.31Å; L36-V40 WeakPolarHBondContact O-CG2 3.3Å; L36-V40 PolarHBondContact O-N 3.21Å; V40-N42 PolarHBondContact O-N 3.07Å; V40-R43 WeakPolarHBondContact CG1-O 3.33Å; V40-R43 WeakPolarHBondContact O-CB 2.88Å; V40-R43 PolarHBondContact O-N 3.22Å; V40-V45 HydrophobicContact CG1-CG2 3.72Å; V40-V45 HydrophobicContact CG2-CG2 4.34Å; V40-L48 HydrophobicContact CB-CD1 4.46Å; V40-L48 HydrophobicContact CG1-CD1 4.45Å; V40-L48 HydrophobicContact CG2-CD1 4.19Å; V40-L102 HydrophobicContact CB-CD1 4.38Å; V40-L102 HydrophobicContact CG2-CD1 3.93Å
41G73.5Confident79.1Confident22 Ų2262 Ų6223%0.22735%0.345CS..THydrogen-bonded Turntrans54.2-127.2-177.900000111.1V37 F39V37-G41 WeakPolarHBondContact O-CA 3.46Å; V37-G41 PolarHBondContact O-N 3.25Å; F39-G41 VanDerWaalsContact C-N 3.32Å
42N73.1Confident79.8Confident165 Ų16566.1 Ų66.188%0.88236%0.358SS*.THydrogen-bonded Turntrans-95.47.1173.8-80.33.4000113.6V40V40-N42 PolarHBondContact O-N 3.07Å
43R78.1Confident80.6Confident122 Ų12266.5 Ų66.546%0.4636%0.356SS..SBendtrans-79.8143.4-177.7-55.5-172.6-150.5-159.75.5110.4V40 V45V40-R43 WeakPolarHBondContact CG1-O 3.33Å; V40-R43 WeakPolarHBondContact O-CB 2.88Å; V40-R43 PolarHBondContact O-N 3.22Å; R43-V45 PolarHBondContact O-N 2.98Å
44P81.9Confident81.3Confident85 Ų8566 Ų6655%0.55235%0.35SS*.  trans-59.9127.9170-17.529.4000109.8K46 S47P44-K46 PolarHBondContact O-N 3.33Å; P44-K46 VanDerWaalsContact O-N 3.15Å; P44-S47 PolarHBondContact O-N 3.47Å; P44-S47 PolarHBondContact O-OG 3.19Å
45V86.8Confident81.9Confident12 Ų1269.2 Ų69.27%0.07338%0.377CS..Hα-helixtrans-55.4-36.9178174.30000110.8V40 R43 S47 L48 V49 C95 F98V40-V45 HydrophobicContact CG1-CG2 3.72Å; V40-V45 HydrophobicContact CG2-CG2 4.34Å; R43-V45 PolarHBondContact O-N 2.98Å; V45-S47 PolarHBondContact O-N 2.9Å; V45-L48 WeakPolarHBondContact O-CB 3.4Å; V45-L48 PolarHBondContact O-N 3.26Å; V45-V49 HydrophobicContact CG1-CG2 4.13Å; V45-V49 PolarHBondContact O-N 3.17Å; V45-V49 VanDerWaalsContact O-N 3.08Å; V45-C95 HydrophobicContact CB-CB 4.15Å; V45-C95 HydrophobicContact CG1-CB 4.22Å; V45-F98 HydrophobicContact CG1-CD1 4.09Å; V45-F98 HydrophobicContact CG2-CD1 4.07Å
46K87.5Confident82.5Confident88 Ų8873.2 Ų73.238%0.38338%0.384SS..Hα-helixtrans-58.5-33.2177-170.9178.6179.3-179.50113.2P44 L48 S92 C95P44-K46 PolarHBondContact O-N 3.33Å; P44-K46 VanDerWaalsContact O-N 3.15Å; K46-L48 PolarHBondContact O-N 2.51Å; K46-S92 VanDerWaalsContact CE-OG 3.26Å; K46-S92 WeakPolarHBondContact CE-OG 3.33Å; K46-S92 PolarHBondContact NZ-OG 2.9Å; K46-C95 HydrophobicContact CB-CB 3.94Å
47S87.2Confident82.9Confident63 Ų6371.8 Ų71.844%0.44138%0.376SS..Hα-helixtrans-75.5-12.3177.6740000113P44 V45P44-S47 PolarHBondContact O-N 3.47Å; P44-S47 PolarHBondContact O-OG 3.19Å; V45-S47 PolarHBondContact O-N 2.9Å
48L86.2Confident83.4Confident40 Ų4073.6 Ų73.621%0.20939%0.388CS..Hα-helixtrans-94.6-35.7176.2-61174.6000111.3F39 V40 V45 K46 T50 N53F39-L48 HydrophobicContact CD1-CD1 4.48Å; F39-L48 HydrophobicContact CE1-CD1 4.35Å; V40-L48 HydrophobicContact CB-CD1 4.46Å; V40-L48 HydrophobicContact CG1-CD1 4.45Å; V40-L48 HydrophobicContact CG2-CD1 4.19Å; V45-L48 WeakPolarHBondContact O-CB 3.4Å; V45-L48 PolarHBondContact O-N 3.26Å; K46-L48 PolarHBondContact O-N 2.51Å; L48-T50 PolarHBondContact O-N 3.32Å; L48-N53 PolarHBondContact O-ND2 3.41Å
49V87.5Confident83.9Confident62 Ų6275.4 Ų75.438%0.37640%0.404SS..SBendtrans-95.671.7-179.5-164.30000109.7V45 L86 F91V45-V49 HydrophobicContact CG1-CG2 4.13Å; V45-V49 PolarHBondContact O-N 3.17Å; V45-V49 VanDerWaalsContact O-N 3.08Å; V49-L86 HydrophobicContact CG1-CD2 4.3Å; V49-F91 HydrophobicContact CB-CE1 4.44Å; V49-F91 HydrophobicContact CB-CZ 4.21Å; V49-F91 HydrophobicContact CG1-CE1 4.32Å; V49-F91 HydrophobicContact CG1-CZ 3.77Å
50T87.2Confident84.4Confident38 Ų3875.8 Ų75.823%0.23341%0.407CS..  trans-105.6159.6177.866.80000111.1L48 E52 N53 F54L48-T50 PolarHBondContact O-N 3.32Å; T50-E52 PolarHBondContact O-N 2.87Å; T50-N53 PolarHBondContact O-N 3.27Å; T50-N53 VanDerWaalsContact O-N 3.17Å; T50-N53 PolarHBondContact OG1-N 3.23Å; T50-N53 PolarHBondContact OG1-ND2 3.19Å; T50-F54 WeakPolarHBondContact O-CB 3.4Å; T50-F54 PolarHBondContact O-N 3.1Å
51V86.1Confident84.9Confident30 Ų3082.7 Ų82.718%0.18243%0.432CS..Hα-helixtrans-56.4-40.6174.2-174.10000111N53 F54 A55 M83 L86V51-N53 PolarHBondContact O-N 3.02Å; V51-F54 WeakPolarHBondContact O-CB 3.45Å; V51-F54 PolarHBondContact O-N 2.83Å; V51-A55 WeakPolarHBondContact O-CB 3.35Å; V51-A55 PolarHBondContact O-N 3.39Å; V51-M83 HydrophobicContact CG2-CB 4.15Å; V51-L86 HydrophobicContact CG2-CD1 4.39Å
52E86.8Confident85.5Confident144 Ų14484 Ų8467%0.67343%0.432SS*.Hα-helixtrans-62.5-41.9177.8-66.3169.2162.600112.6T50 R56T50-E52 PolarHBondContact O-N 2.87Å; E52-R56 WeakPolarHBondContact O-CG 3.28Å
53N87.5Confident86Confident67 Ų6783.9 Ų83.936%0.35842%0.424SS..Hα-helixtrans-71.8-36.2176.8-74-21.2000111.3L48 T50 V51 R56L48-N53 PolarHBondContact O-ND2 3.41Å; T50-N53 PolarHBondContact O-N 3.27Å; T50-N53 VanDerWaalsContact O-N 3.17Å; T50-N53 PolarHBondContact OG1-N 3.23Å; T50-N53 PolarHBondContact OG1-ND2 3.19Å; V51-N53 PolarHBondContact O-N 3.02Å; N53-R56 PolarHBondContact O-N 3.22Å
54F86.1Confident86.6Confident28 Ų2884 Ų8412%0.12343%0.43CS..Hα-helixtrans-61.4-44.4174.7-175.9-94.6000111.7T50 V51 R56 I57 Q62 L65 V66 M83 L86T50-F54 WeakPolarHBondContact O-CB 3.4Å; T50-F54 PolarHBondContact O-N 3.1Å; V51-F54 WeakPolarHBondContact O-CB 3.45Å; V51-F54 PolarHBondContact O-N 2.83Å; F54-R56 PolarHBondContact O-N 3.21Å; F54-R56 VanDerWaalsContact O-N 3.14Å; F54-I57 HydrophobicContact CD2-CD1 4.43Å; F54-I57 VanDerWaalsContact O-CB 3.3Å; F54-I57 WeakPolarHBondContact O-CB 3.49Å; F54-I57 PolarHBondContact O-N 3.02Å; F54-Q62 HydrophobicContact CD1-CG 4.33Å; F54-Q62 HydrophobicContact CE1-CB 3.9Å; F54-Q62 HydrophobicContact CE1-CG 3.75Å; F54-Q62 HydrophobicContact CE2-CB 4.32Å; F54-Q62 HydrophobicContact CE2-CG 4.3Å; F54-Q62 HydrophobicContact CZ-CB 3.55Å; F54-Q62 HydrophobicContact CZ-CG 3.73Å; F54-Q62 PolarHBondContact O-NE2 2.89Å; F54-L65 HydrophobicContact CD2-CD1 4.22Å; F54-L65 HydrophobicContact CE2-CB 3.82Å; F54-L65 HydrophobicContact CE2-CD1 3.89Å; F54-V66 HydrophobicContact CZ-CG2 3.83Å; F54-M83 HydrophobicContact CD1-SD 3.66Å; F54-M83 HydrophobicContact CD2-SD 4.37Å; F54-M83 HydrophobicContact CE1-SD 3.75Å; F54-M83 HydrophobicContact CE2-SD 4.43Å; F54-M83 HydrophobicContact CG-SD 4Å; F54-M83 HydrophobicContact CZ-SD 4.15Å; F54-L86 HydrophobicContact CB-CD1 4.41Å
55A85.5Confident86.8Confident68 Ų6883.5 Ų83.556%0.56242%0.422SS*.Hα-helixtrans-62.3-21.5178.800000114V51 I57 Q62V51-A55 WeakPolarHBondContact O-CB 3.35Å; V51-A55 PolarHBondContact O-N 3.39Å; A55-I57 VanDerWaalsContact C-N 3.33Å; A55-Q62 PolarHBondContact O-NE2 3.18Å
56R88.2Confident86.9Confident203 Ų20384.1 Ų84.177%0.76643%0.426SS*.THydrogen-bonded Turntrans-80.7-12.8176.7-66.6172-173.8-141.71.5113.5E52 N53 F54E52-R56 WeakPolarHBondContact O-CG 3.28Å; N53-R56 PolarHBondContact O-N 3.22Å; F54-R56 PolarHBondContact O-N 3.21Å; F54-R56 VanDerWaalsContact O-N 3.14Å
57I85.4Confident86.9Confident51 Ų5183.1 Ų83.126%0.26243%0.43SS..SBendtrans-78.6144.4-179.2-60.2176.3000109.2F54 A55 W61 Q62 L65F54-I57 HydrophobicContact CD2-CD1 4.43Å; F54-I57 VanDerWaalsContact O-CB 3.3Å; F54-I57 WeakPolarHBondContact O-CB 3.49Å; F54-I57 PolarHBondContact O-N 3.02Å; A55-I57 VanDerWaalsContact C-N 3.33Å; I57-W61 HydrophobicContact CG2-CB 3.55Å; I57-W61 HydrophobicContact CG2-CE3 4.07Å; I57-W61 HydrophobicContact CG2-CG 4.46Å; I57-Q62 HydrophobicContact CB-CG 4.07Å; I57-Q62 HydrophobicContact CG2-CG 4.25Å; I57-Q62 PolarHBondContact O-NE2 3Å; I57-L65 HydrophobicContact CD1-CD1 3.7Å; I57-L65 HydrophobicContact CG2-CD1 4.49Å
58P87.9Confident87Confident71 Ų7186.5 Ų86.546%0.46144%0.442SS..  trans-54.5142.9173-26.435000113.1E60 W61 Q62P58-E60 PolarHBondContact O-N 2.89Å; P58-E60 VanDerWaalsContact O-N 3.11Å; P58-W61 HydrophobicContact CG-CE3 4.4Å; P58-W61 PolarHBondContact O-N 2.92Å; P58-Q62 PolarHBondContact O-N 3.39Å
59A84.2Confident87.1Confident64 Ų6486 Ų8653%0.52944%0.44SS..Hα-helixtrans-56.8-31.9-174.500000113.9Q62 K63A59-Q62 PolarHBondContact O-N 3.39Å; A59-K63 WeakPolarHBondContact O-CG 3.43Å; A59-K63 PolarHBondContact O-N 3.41Å; A59-K63 VanDerWaalsContact O-N 3.07Å
60E87Confident87.1Confident158 Ų15886.7 Ų86.774%0.73845%0.445SS*.Hα-helixtrans-63.7-45.2176.4-62.2-174.6-167.700111.8P58 K63 E64P58-E60 PolarHBondContact O-N 2.89Å; P58-E60 VanDerWaalsContact O-N 3.11Å; E60-K63 PolarHBondContact O-N 3.33Å; E60-E64 PolarHBondContact O-N 3.23Å
61W88.5Confident87Confident156 Ų15693 Ų9359%0.59147%0.47SS*.Hα-helixtrans-74-31.1178.1-63.1-1.5000111.6I57 P58 K63 E64 L65I57-W61 HydrophobicContact CG2-CB 3.55Å; I57-W61 HydrophobicContact CG2-CE3 4.07Å; I57-W61 HydrophobicContact CG2-CG 4.46Å; P58-W61 HydrophobicContact CG-CE3 4.4Å; P58-W61 PolarHBondContact O-N 2.92Å; W61-K63 VanDerWaalsContact C-N 3.32Å; W61-K63 PolarHBondContact O-N 3.37Å; W61-E64 PolarHBondContact O-N 2.83Å; W61-L65 WeakPolarHBondContact O-CB 3.49Å; W61-L65 VanDerWaalsContact O-CG 3.26Å; W61-L65 WeakPolarHBondContact O-CG 3.48Å; W61-L65 PolarHBondContact O-N 3.2Å
62Q85.9Confident86.9Confident49 Ų4997.3 Ų97.323%0.22950%0.496CS..Hα-helixtrans-59-44.6170.8-69.4-178.77.400111.2F54 A55 I57 P58 A59 E64 L65 V66F54-Q62 HydrophobicContact CD1-CG 4.33Å; F54-Q62 HydrophobicContact CE1-CB 3.9Å; F54-Q62 HydrophobicContact CE1-CG 3.75Å; F54-Q62 HydrophobicContact CE2-CB 4.32Å; F54-Q62 HydrophobicContact CE2-CG 4.3Å; F54-Q62 HydrophobicContact CZ-CB 3.55Å; F54-Q62 HydrophobicContact CZ-CG 3.73Å; F54-Q62 PolarHBondContact O-NE2 2.89Å; A55-Q62 PolarHBondContact O-NE2 3.18Å; I57-Q62 HydrophobicContact CB-CG 4.07Å; I57-Q62 HydrophobicContact CG2-CG 4.25Å; I57-Q62 PolarHBondContact O-NE2 3Å; P58-Q62 PolarHBondContact O-N 3.39Å; A59-Q62 PolarHBondContact O-N 3.39Å; Q62-E64 VanDerWaalsContact C-N 3.35Å; Q62-E64 PolarHBondContact O-N 3.35Å; Q62-L65 PolarHBondContact O-N 3.24Å; Q62-V66 WeakPolarHBondContact O-CB 3.37Å; Q62-V66 VanDerWaalsContact O-CG2 3.3Å; Q62-V66 WeakPolarHBondContact O-CG2 3.29Å; Q62-V66 PolarHBondContact O-N 3.08Å
63K85.3Confident86.8Confident162 Ų16291.9 Ų91.970%0.70447%0.471SS*.Hα-helixtrans-60.6-44.2176.3-73.3177.7-178.6179.30111.8A59 E60 W61 V66 S67A59-K63 WeakPolarHBondContact O-CG 3.43Å; A59-K63 PolarHBondContact O-N 3.41Å; A59-K63 VanDerWaalsContact O-N 3.07Å; E60-K63 PolarHBondContact O-N 3.33Å; W61-K63 VanDerWaalsContact C-N 3.32Å; W61-K63 PolarHBondContact O-N 3.37Å; K63-V66 PolarHBondContact O-N 2.7Å; K63-S67 PolarHBondContact O-N 3.49Å
64E89.4Confident86.6Confident125 Ų12591.7 Ų91.758%0.58447%0.469SS*.Hα-helixtrans-62-46.1176.7-169.3177.917600111.3E60 W61 Q62 V66 S67 L68E60-E64 PolarHBondContact O-N 3.23Å; W61-E64 PolarHBondContact O-N 2.83Å; Q62-E64 VanDerWaalsContact C-N 3.35Å; Q62-E64 PolarHBondContact O-N 3.35Å; E64-V66 PolarHBondContact O-N 2.93Å; E64-S67 WeakPolarHBondContact O-CB 3.08Å; E64-S67 PolarHBondContact O-N 3.48Å; E64-S67 VanDerWaalsContact O-N 3.15Å; E64-S67 PolarHBondContact O-OG 3.05Å; E64-L68 PolarHBondContact O-N 2.86Å
65L87.5Confident86Confident74 Ų7496.9 Ų96.939%0.38750%0.497SS..Hα-helixtrans-63.2-40.8177.2-72.1172.8000112.6F54 I57 W61 Q62 S67 L68F54-L65 HydrophobicContact CD2-CD1 4.22Å; F54-L65 HydrophobicContact CE2-CB 3.82Å; F54-L65 HydrophobicContact CE2-CD1 3.89Å; I57-L65 HydrophobicContact CD1-CD1 3.7Å; I57-L65 HydrophobicContact CG2-CD1 4.49Å; W61-L65 WeakPolarHBondContact O-CB 3.49Å; W61-L65 VanDerWaalsContact O-CG 3.26Å; W61-L65 WeakPolarHBondContact O-CG 3.48Å; W61-L65 PolarHBondContact O-N 3.2Å; Q62-L65 PolarHBondContact O-N 3.24Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.94Å; L65-L68 WeakPolarHBondContact O-CB 3.46Å; L65-L68 PolarHBondContact O-N 2.72Å; L65-L68 VanDerWaalsContact O-N 3.16Å
66V87.8Confident85Confident25 Ų2595.7 Ų95.715%0.15248%0.482CS..Hα-helixtrans-62.1-39.2174.5169.50000110.4F54 Q62 K63 E64 L68 L69 Q74 L79F54-V66 HydrophobicContact CZ-CG2 3.83Å; Q62-V66 WeakPolarHBondContact O-CB 3.37Å; Q62-V66 VanDerWaalsContact O-CG2 3.3Å; Q62-V66 WeakPolarHBondContact O-CG2 3.29Å; Q62-V66 PolarHBondContact O-N 3.08Å; K63-V66 PolarHBondContact O-N 2.7Å; E64-V66 PolarHBondContact O-N 2.93Å; V66-L68 PolarHBondContact O-N 3.27Å; V66-L68 VanDerWaalsContact O-N 3.08Å; V66-L69 VanDerWaalsContact O-CB 3.31Å; V66-L69 WeakPolarHBondContact O-CB 3.18Å; V66-L69 PolarHBondContact O-N 2.82Å; V66-Q74 WeakPolarHBondContact O-CG 3.34Å; V66-L79 HydrophobicContact CG1-CD1 3.77Å; V66-L79 HydrophobicContact CG2-CD1 4.29Å; V66-L79 HydrophobicContact CG2-CD2 4.39Å
67S88.5Confident83.4Confident67 Ų6792 Ų9247%0.46948%0.484SS..Hα-helixtrans-62.1-18.417882.10000114K63 E64 L65 Q74K63-S67 PolarHBondContact O-N 3.49Å; E64-S67 WeakPolarHBondContact O-CB 3.08Å; E64-S67 PolarHBondContact O-N 3.48Å; E64-S67 VanDerWaalsContact O-N 3.15Å; E64-S67 PolarHBondContact O-OG 3.05Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.94Å; S67-Q74 PolarHBondContact O-NE2 3.33Å
68L88.6Confident82.1Confident134 Ų13492.3 Ų92.370%0.70249%0.488SS*.THydrogen-bonded Turntrans-86.4-12.3175.1-59.6175.4000113.4E64 L65 V66E64-L68 PolarHBondContact O-N 2.86Å; L65-L68 WeakPolarHBondContact O-CB 3.46Å; L65-L68 PolarHBondContact O-N 2.72Å; L65-L68 VanDerWaalsContact O-N 3.16Å; V66-L68 PolarHBondContact O-N 3.27Å; V66-L68 VanDerWaalsContact O-N 3.08Å
69L88Confident80.8Confident30 Ų3090.3 Ų90.316%0.15747%0.474CS..SBendtrans-72161.8177.4-65.8175.6000111.5V66 D73 Q74 M83 A85V66-L69 VanDerWaalsContact O-CB 3.31Å; V66-L69 WeakPolarHBondContact O-CB 3.18Å; V66-L69 PolarHBondContact O-N 2.82Å; L69-D73 HydrophobicContact CB-CB 4.17Å; L69-D73 HydrophobicContact CD1-CB 4.47Å; L69-Q74 HydrophobicContact CB-CG 4.27Å; L69-Q74 PolarHBondContact O-NE2 3.03Å; L69-M83 HydrophobicContact CD1-CE 3.41Å; L69-M83 VanDerWaalsContact CD1-CE 3.41Å; L69-A85 HydrophobicContact CD1-CB 4.17Å
70P87Confident79.6Confident76 Ų7696.5 Ų96.549%0.49449%0.492SS..  trans-54.7142.6169-24.334.9000111.6V72 D73 Q74P70-V72 HydrophobicContact CB-CG2 3.95Å; P70-V72 PolarHBondContact O-N 3.24Å; P70-D73 WeakPolarHBondContact CD-OD2 3.39Å; P70-D73 WeakPolarHBondContact CG-OD2 3.45Å; P70-D73 WeakPolarHBondContact O-CA 3.41Å; P70-D73 WeakPolarHBondContact O-CB 3.48Å; P70-D73 PolarHBondContact O-N 3.33Å; P70-Q74 WeakPolarHBondContact O-CG 3.37Å; P70-Q74 PolarHBondContact O-N 2.96Å; P70-Q74 VanDerWaalsContact O-N 3.12Å
71K86.2Confident78.3Confident171 Ų17193 Ų9374%0.74349%0.485SS*.Hα-helixtrans-52.5-30.9-177.1-68.4-173.3177.9-1770114.3D73 Q74 N75K71-D73 VanDerWaalsContact C-N 3.3Å; K71-Q74 PolarHBondContact O-N 3.36Å; K71-N75 PolarHBondContact O-ND2 3.46Å
72V83.7Confident77Confident120 Ų12090.9 Ų90.973%0.72749%0.485SS*.Hα-helixtrans-64.7-35.4176.5-69.30000112.3P70P70-V72 HydrophobicContact CB-CG2 3.95Å; P70-V72 PolarHBondContact O-N 3.24Å
73D83.6Confident76.5Confident30 Ų3088.6 Ų88.616%0.1647%0.474CS..Hα-helixtrans-87.6-21.8-179.1-64.3-47.8000112.3L69 P70 K71 N75 A85L69-D73 HydrophobicContact CB-CB 4.17Å; L69-D73 HydrophobicContact CD1-CB 4.47Å; P70-D73 WeakPolarHBondContact CD-OD2 3.39Å; P70-D73 WeakPolarHBondContact CG-OD2 3.45Å; P70-D73 WeakPolarHBondContact O-CA 3.41Å; P70-D73 WeakPolarHBondContact O-CB 3.48Å; P70-D73 PolarHBondContact O-N 3.33Å; K71-D73 VanDerWaalsContact C-N 3.3Å; D73-N75 VanDerWaalsContact C-N 3.31Å; D73-N75 PolarHBondContact O-N 2.75Å; D73-A85 HydrophobicContact CB-CB 3.69Å
74Q84.9Confident76.2Confident64 Ų6483.5 Ų83.530%0.29946%0.458SS..Hα-helixtrans-66.8-32.7178.2-66.8-172.910.800113.1V66 S67 L69 P70 K71 D76V66-Q74 WeakPolarHBondContact O-CG 3.34Å; S67-Q74 PolarHBondContact O-NE2 3.33Å; L69-Q74 HydrophobicContact CB-CG 4.27Å; L69-Q74 PolarHBondContact O-NE2 3.03Å; P70-Q74 WeakPolarHBondContact O-CG 3.37Å; P70-Q74 PolarHBondContact O-N 2.96Å; P70-Q74 VanDerWaalsContact O-N 3.12Å; K71-Q74 PolarHBondContact O-N 3.36Å; Q74-D76 VanDerWaalsContact C-N 3.34Å
75N72Confident75.9Confident136 Ų13677.7 Ų77.773%0.72743%0.431SS*.THydrogen-bonded Turntrans-924.7-173.5-67.9-28.9000112.9K71 D73 P77K71-N75 PolarHBondContact O-ND2 3.46Å; D73-N75 VanDerWaalsContact C-N 3.31Å; D73-N75 PolarHBondContact O-N 2.75Å; N75-P77 VanDerWaalsContact O-CD 3.24Å; N75-P77 WeakPolarHBondContact O-CD 3.39Å
76D64.8Low75.8Confident44 Ų4474.7 Ų74.724%0.23542%0.415CS..  trans-73.5116.4-175.3-163.8-32.2000110.5Q74 T78 L79 P84Q74-D76 VanDerWaalsContact C-N 3.34Å; D76-T78 VanDerWaalsContact CG-OG1 3.23Å; D76-T78 PolarHBondContact O-N 2.65Å; D76-T78 VanDerWaalsContact O-N 3.09Å; D76-T78 WeakPolarHBondContact OD1-CB 3.39Å; D76-T78 PolarHBondContact OD1-N 3.4Å; D76-T78 PolarHBondContact OD1-OG1 3.2Å; D76-T78 PolarHBondContact OD2-OG1 3.05Å; D76-L79 HydrophobicContact CB-CG 4.29Å; D76-L79 WeakPolarHBondContact O-CD1 3.26Å; D76-L79 VanDerWaalsContact O-CG 3.24Å; D76-L79 WeakPolarHBondContact O-CG 3.4Å; D76-L79 PolarHBondContact O-N 2.92Å; D76-P84 WeakPolarHBondContact OD2-CG 3.42Å
77P56Low75.6Confident124 Ų12478.7 Ų78.781%0.80544%0.436SS*.THydrogen-bonded Turntrans-64.8-12.717926.3-33.3000113N75N75-P77 VanDerWaalsContact O-CD 3.24Å; N75-P77 WeakPolarHBondContact O-CD 3.39Å
78T57.4Low75.6Confident58 Ų5877.6 Ų77.636%0.35643%0.425SS..THydrogen-bonded Turntrans-90.44.2-180670000114.6D76 Q80 S81 N82D76-T78 VanDerWaalsContact CG-OG1 3.23Å; D76-T78 PolarHBondContact O-N 2.65Å; D76-T78 VanDerWaalsContact O-N 3.09Å; D76-T78 WeakPolarHBondContact OD1-CB 3.39Å; D76-T78 PolarHBondContact OD1-N 3.4Å; D76-T78 PolarHBondContact OD1-OG1 3.2Å; D76-T78 PolarHBondContact OD2-OG1 3.05Å; T78-Q80 PolarHBondContact O-N 3.37Å; T78-S81 PolarHBondContact O-N 3.15Å; T78-N82 PolarHBondContact O-N 3.01Å
79L59.6Low75.6Confident30 Ų3079 Ų7916%0.15743%0.428CS..THydrogen-bonded Turntrans-51.6-21.7179.8-81.9169000114.2V66 D76 M83V66-L79 HydrophobicContact CG1-CD1 3.77Å; V66-L79 HydrophobicContact CG2-CD1 4.29Å; V66-L79 HydrophobicContact CG2-CD2 4.39Å; D76-L79 HydrophobicContact CB-CG 4.29Å; D76-L79 WeakPolarHBondContact O-CD1 3.26Å; D76-L79 VanDerWaalsContact O-CG 3.24Å; D76-L79 WeakPolarHBondContact O-CG 3.4Å; D76-L79 PolarHBondContact O-N 2.92Å; L79-M83 HydrophobicContact CD2-CB 4.45Å; L79-M83 HydrophobicContact CD2-CE 3.2Å; L79-M83 HydrophobicContact CD2-CG 3.69Å; L79-M83 HydrophobicContact CD2-SD 3.95Å; L79-M83 VanDerWaalsContact O-CG 3.22Å; L79-M83 WeakPolarHBondContact O-CG 3.07Å
80Q59.8Low75.8Confident194 Ų19486.1 Ų86.191%0.90745%0.454SS*.THydrogen-bonded Turntrans-84.5-23.2-179.4-68.6-168.1-2.600115.5T78T78-Q80 PolarHBondContact O-N 3.37Å
81S59.6Low75.9Confident85 Ų8584.5 Ų84.559%0.59444%0.439SS*.THydrogen-bonded Turntrans-119.5-31.1-172.562.60000114.6T78T78-S81 PolarHBondContact O-N 3.15Å
82N60.4Low76.2Confident110 Ų11077.4 Ų77.459%0.58841%0.411SS*.  trans-157.175.4-179.9-85.8-40000109.5T78 P84T78-N82 PolarHBondContact O-N 3.01Å; N82-P84 WeakPolarHBondContact O-CD 3.4Å; N82-P84 WeakPolarHBondContact O-CG 3.5Å
83M75.6Confident76.5Confident1 Ų177.2 Ų77.21%0.00540%0.398CS..  trans-53.9101.2-178.5-74.6-167.268.300111.8V51 F54 L69 L79 A85 L86V51-M83 HydrophobicContact CG2-CB 4.15Å; F54-M83 HydrophobicContact CD1-SD 3.66Å; F54-M83 HydrophobicContact CD2-SD 4.37Å; F54-M83 HydrophobicContact CE1-SD 3.75Å; F54-M83 HydrophobicContact CE2-SD 4.43Å; F54-M83 HydrophobicContact CG-SD 4Å; F54-M83 HydrophobicContact CZ-SD 4.15Å; L69-M83 HydrophobicContact CD1-CE 3.41Å; L69-M83 VanDerWaalsContact CD1-CE 3.41Å; L79-M83 HydrophobicContact CD2-CB 4.45Å; L79-M83 HydrophobicContact CD2-CE 3.2Å; L79-M83 HydrophobicContact CD2-CG 3.69Å; L79-M83 HydrophobicContact CD2-SD 3.95Å; L79-M83 VanDerWaalsContact O-CG 3.22Å; L79-M83 WeakPolarHBondContact O-CG 3.07Å; M83-A85 HydrophobicContact CE-CB 4.2Å; M83-A85 PolarHBondContact O-N 2.09Å; M83-L86 HydrophobicContact CB-CB 4.37Å; M83-L86 HydrophobicContact CB-CD1 4.17Å; M83-L86 HydrophobicContact CB-CG 4.01Å; M83-L86 HydrophobicContact CE-CD1 4.25Å; M83-L86 HydrophobicContact CE-CD2 4.44Å; M83-L86 HydrophobicContact CE-CG 4Å; M83-L86 PolarHBondContact O-N 3.13Å; M83-L86 HydrophobicContact SD-CD1 3.68Å; M83-L86 HydrophobicContact SD-CG 4.04Å
84P79.9Confident76.8Confident56 Ų5678.1 Ų78.136%0.36441%0.41SS..G310 helixtrans-66.9-28.3-177-17.134000110.3D76 N82 L86 N87 N88D76-P84 WeakPolarHBondContact OD2-CG 3.42Å; N82-P84 WeakPolarHBondContact O-CD 3.4Å; N82-P84 WeakPolarHBondContact O-CG 3.5Å; P84-L86 PolarHBondContact O-N 3.38Å; P84-N87 CarbonylContact O-C 3.48Å; P84-N87 PolarHBondContact O-N 3.29Å; P84-N88 PolarHBondContact O-N 2.85Å
85A82.8Confident77.1Confident3 Ų375.5 Ų75.53%0.02540%0.398CS..G310 helixtrans-51.2-35.5172.300000113.8L69 D73 M83 N88 F91L69-A85 HydrophobicContact CD1-CB 4.17Å; D73-A85 HydrophobicContact CB-CB 3.69Å; M83-A85 HydrophobicContact CE-CB 4.2Å; M83-A85 PolarHBondContact O-N 2.09Å; A85-N88 PolarHBondContact O-ND2 2.85Å; A85-F91 WeakPolarHBondContact O-CB 3.4Å; A85-F91 WeakPolarHBondContact O-CG 3.26Å
86L85.3Confident77.8Confident11 Ų1173 Ų736%0.05839%0.387CS..G310 helixtrans-89.8-14.8179.1-58.6-176.1000112.9V49 V51 F54 M83 P84 F91V49-L86 HydrophobicContact CG1-CD2 4.3Å; V51-L86 HydrophobicContact CG2-CD1 4.39Å; F54-L86 HydrophobicContact CB-CD1 4.41Å; M83-L86 HydrophobicContact CB-CB 4.37Å; M83-L86 HydrophobicContact CB-CD1 4.17Å; M83-L86 HydrophobicContact CB-CG 4.01Å; M83-L86 HydrophobicContact CE-CD1 4.25Å; M83-L86 HydrophobicContact CE-CD2 4.44Å; M83-L86 HydrophobicContact CE-CG 4Å; M83-L86 PolarHBondContact O-N 3.13Å; M83-L86 HydrophobicContact SD-CD1 3.68Å; M83-L86 HydrophobicContact SD-CG 4.04Å; P84-L86 PolarHBondContact O-N 3.38Å; L86-F91 HydrophobicContact CB-CD1 4.49Å; L86-F91 HydrophobicContact CB-CE1 4.31Å; L86-F91 HydrophobicContact CD2-CD1 4.4Å; L86-F91 HydrophobicContact CD2-CD2 4.36Å; L86-F91 HydrophobicContact CD2-CE1 3.81Å; L86-F91 HydrophobicContact CD2-CE2 3.78Å; L86-F91 HydrophobicContact CD2-CZ 3.47Å; L86-F91 VanDerWaalsContact CD2-CZ 3.47Å; L86-F91 VanDerWaalsContact O-CD1 3.26Å; L86-F91 WeakPolarHBondContact O-CD1 3.33Å
87N84.7Confident78.9Confident109 Ų10972.5 Ų72.558%0.58338%0.384SS*.SBendtrans-107.319.2-177-78.3-21.8000113.4P84P84-N87 CarbonylContact O-C 3.48Å; P84-N87 PolarHBondContact O-N 3.29Å
88N86.8Confident80.3Confident43 Ų4371.3 Ų71.323%0.2337%0.366CS..SBendtrans-98159.5177.681.354.8000112.9P84 A85 Y90 F91 S92P84-N88 PolarHBondContact O-N 2.85Å; A85-N88 PolarHBondContact O-ND2 2.85Å; N88-Y90 PolarHBondContact O-N 2.91Å; N88-Y90 WeakPolarHBondContact OD1-CA 3.32Å; N88-Y90 WeakPolarHBondContact OD1-CB 3.41Å; N88-Y90 PolarHBondContact OD1-N 3.1Å; N88-F91 PolarHBondContact O-N 3.44Å; N88-F91 WeakPolarHBondContact OD1-CB 3.31Å; N88-F91 PolarHBondContact OD1-N 3.39Å; N88-S92 WeakPolarHBondContact O-CB 3.39Å; N88-S92 PolarHBondContact O-N 3.45Å; N88-S92 PolarHBondContact O-OG 3.48Å
89E89.9Confident81.5Confident165 Ų16569.2 Ų69.277%0.77135%0.354SS*.Hα-helixtrans-64.7-37.4-178.4-65.6-173.4162.400112.6S92 Y93E89-S92 WeakPolarHBondContact O-CB 3.45Å; E89-S92 PolarHBondContact O-N 3.24Å; E89-Y93 WeakPolarHBondContact O-CB 3.43Å; E89-Y93 PolarHBondContact O-N 3.44Å
90Y91Very high82.6Confident178 Ų17870.7 Ų70.770%0.69836%0.362SS*.Hα-helixtrans-66.1-41.9179.3-58.5-75.9000112.4N88 S92 Y93 A94N88-Y90 PolarHBondContact O-N 2.91Å; N88-Y90 WeakPolarHBondContact OD1-CA 3.32Å; N88-Y90 WeakPolarHBondContact OD1-CB 3.41Å; N88-Y90 PolarHBondContact OD1-N 3.1Å; Y90-S92 VanDerWaalsContact C-N 3.35Å; Y90-Y93 PolarHBondContact O-N 3.41Å; Y90-A94 WeakPolarHBondContact O-CB 3.44Å; Y90-A94 PolarHBondContact O-N 2.98Å
91F90.5Very high83.6Confident43 Ų4364.2 Ų64.219%0.18934%0.337CS..Hα-helixtrans-65.9-42.4175.5-176.3-97.4000110.2V49 A85 L86 N88 Y93 A94 C95V49-F91 HydrophobicContact CB-CE1 4.44Å; V49-F91 HydrophobicContact CB-CZ 4.21Å; V49-F91 HydrophobicContact CG1-CE1 4.32Å; V49-F91 HydrophobicContact CG1-CZ 3.77Å; A85-F91 WeakPolarHBondContact O-CB 3.4Å; A85-F91 WeakPolarHBondContact O-CG 3.26Å; L86-F91 HydrophobicContact CB-CD1 4.49Å; L86-F91 HydrophobicContact CB-CE1 4.31Å; L86-F91 HydrophobicContact CD2-CD1 4.4Å; L86-F91 HydrophobicContact CD2-CD2 4.36Å; L86-F91 HydrophobicContact CD2-CE1 3.81Å; L86-F91 HydrophobicContact CD2-CE2 3.78Å; L86-F91 HydrophobicContact CD2-CZ 3.47Å; L86-F91 VanDerWaalsContact CD2-CZ 3.47Å; L86-F91 VanDerWaalsContact O-CD1 3.26Å; L86-F91 WeakPolarHBondContact O-CD1 3.33Å; N88-F91 PolarHBondContact O-N 3.44Å; N88-F91 WeakPolarHBondContact OD1-CB 3.31Å; N88-F91 PolarHBondContact OD1-N 3.39Å; F91-Y93 VanDerWaalsContact C-N 3.31Å; F91-Y93 PolarHBondContact O-N 2.85Å; F91-A94 WeakPolarHBondContact O-CB 3.32Å; F91-A94 PolarHBondContact O-N 2.68Å; F91-C95 VanDerWaalsContact CE1-SG 3.52Å; F91-C95 PolarHBondContact O-N 3.45Å; F91-C95 PolarHBondContact O-SG 2.94Å; F91-C95 VanDerWaalsContact O-SG 3.37Å
92S90.9Very high84.4Confident22 Ų2260.7 Ų60.715%0.15431%0.312CS..Hα-helixtrans-57.5-46.1174.1-540000111.7K46 N88 E89 Y90 C95 V96K46-S92 VanDerWaalsContact CE-OG 3.26Å; K46-S92 WeakPolarHBondContact CE-OG 3.33Å; K46-S92 PolarHBondContact NZ-OG 2.9Å; N88-S92 WeakPolarHBondContact O-CB 3.39Å; N88-S92 PolarHBondContact O-N 3.45Å; N88-S92 PolarHBondContact O-OG 3.48Å; E89-S92 WeakPolarHBondContact O-CB 3.45Å; E89-S92 PolarHBondContact O-N 3.24Å; Y90-S92 VanDerWaalsContact C-N 3.35Å; S92-C95 WeakPolarHBondContact O-CB 3.43Å; S92-C95 PolarHBondContact O-N 2.99Å; S92-V96 PolarHBondContact O-N 2.85Å
93Y91.6Very high85.1Confident116 Ų11662.1 Ų62.146%0.45531%0.313SS..Hα-helixtrans-64.2-42.1175.8-179.4-102.3000112E89 Y90 F91 C95 V96 Q97E89-Y93 WeakPolarHBondContact O-CB 3.43Å; E89-Y93 PolarHBondContact O-N 3.44Å; Y90-Y93 PolarHBondContact O-N 3.41Å; F91-Y93 VanDerWaalsContact C-N 3.31Å; F91-Y93 PolarHBondContact O-N 2.85Å; Y93-C95 VanDerWaalsContact C-N 3.3Å; Y93-C95 PolarHBondContact O-N 3.07Å; Y93-V96 PolarHBondContact O-N 3.32Å; Y93-V96 VanDerWaalsContact O-N 3.11Å; Y93-Q97 HydrophobicContact CD1-CG 4.06Å; Y93-Q97 HydrophobicContact CE1-CG 3.67Å; Y93-Q97 HydrophobicContact CE2-CG 4.44Å; Y93-Q97 VanDerWaalsContact CZ-NE2 3.34Å; Y93-Q97 WeakPolarHBondContact O-CG 3.49Å; Y93-Q97 PolarHBondContact O-N 2.92Å; Y93-Q97 PolarHBondContact OH-NE2 3.33Å
94A89.6Confident85Confident49 Ų4968.5 Ų68.541%0.40535%0.347SS..Hα-helixtrans-60.7-38.4175.300000112Y90 F91 V96 Q97 F98Y90-A94 WeakPolarHBondContact O-CB 3.44Å; Y90-A94 PolarHBondContact O-N 2.98Å; F91-A94 WeakPolarHBondContact O-CB 3.32Å; F91-A94 PolarHBondContact O-N 2.68Å; A94-V96 VanDerWaalsContact C-N 3.35Å; A94-V96 PolarHBondContact O-N 3.49Å; A94-Q97 PolarHBondContact O-N 3.49Å; A94-F98 VanDerWaalsContact O-CB 3.25Å; A94-F98 WeakPolarHBondContact O-CB 3.25Å; A94-F98 PolarHBondContact O-N 3.32Å
95C90.3Very high84.6Confident8 Ų867 Ų675%0.05434%0.339CS..Hα-helixtrans-63.4-38.9173.7-70.40000112.7V45 K46 F91 S92 Y93 S99V45-C95 HydrophobicContact CB-CB 4.15Å; V45-C95 HydrophobicContact CG1-CB 4.22Å; K46-C95 HydrophobicContact CB-CB 3.94Å; F91-C95 VanDerWaalsContact CE1-SG 3.52Å; F91-C95 PolarHBondContact O-N 3.45Å; F91-C95 PolarHBondContact O-SG 2.94Å; F91-C95 VanDerWaalsContact O-SG 3.37Å; S92-C95 WeakPolarHBondContact O-CB 3.43Å; S92-C95 PolarHBondContact O-N 2.99Å; Y93-C95 VanDerWaalsContact C-N 3.3Å; Y93-C95 PolarHBondContact O-N 3.07Å; C95-S99 WeakPolarHBondContact O-CB 3.36Å; C95-S99 PolarHBondContact O-N 3.29Å
96V88.3Confident83.7Confident83 Ų8376.6 Ų76.650%0.50338%0.38SS..Hα-helixtrans-66.5-51.1176.5173.90000110.2S92 Y93 A94 F98 S99 D100S92-V96 PolarHBondContact O-N 2.85Å; Y93-V96 PolarHBondContact O-N 3.32Å; Y93-V96 VanDerWaalsContact O-N 3.11Å; A94-V96 VanDerWaalsContact C-N 3.35Å; A94-V96 PolarHBondContact O-N 3.49Å; V96-F98 VanDerWaalsContact C-N 3.29Å; V96-F98 PolarHBondContact O-N 3.4Å; V96-S99 WeakPolarHBondContact O-CA 3.4Å; V96-S99 WeakPolarHBondContact O-CB 3.37Å; V96-S99 PolarHBondContact O-N 3.24Å; V96-D100 PolarHBondContact O-N 3.36Å
97Q86.4Confident82.7Confident35 Ų3576.7 Ų76.716%0.16438%0.382CS..Hα-helixtrans-53.1-46.8174.9-77.2-93.426.700111.9G13 C15 Y93 A94 S99 D100 C101G13-Q97 PolarHBondContact O-NE2 3.4Å; C15-Q97 PolarHBondContact SG-OE1 2.88Å; C15-Q97 VanDerWaalsContact SG-OE1 3.38Å; Y93-Q97 HydrophobicContact CD1-CG 4.06Å; Y93-Q97 HydrophobicContact CE1-CG 3.67Å; Y93-Q97 HydrophobicContact CE2-CG 4.44Å; Y93-Q97 VanDerWaalsContact CZ-NE2 3.34Å; Y93-Q97 WeakPolarHBondContact O-CG 3.49Å; Y93-Q97 PolarHBondContact O-N 2.92Å; Y93-Q97 PolarHBondContact OH-NE2 3.33Å; A94-Q97 PolarHBondContact O-N 3.49Å; Q97-S99 PolarHBondContact O-N 3.2Å; Q97-D100 PolarHBondContact O-N 3.11Å; Q97-C101 WeakPolarHBondContact O-CB 3.38Å; Q97-C101 PolarHBondContact O-N 3.39Å
98F85.1Confident81.5Confident99 Ų9973.2 Ų73.243%0.43437%0.365SS..Hα-helixtrans-63.4-41.9178.2-175.2-109.2000111.8V45 A94 V96 D100 C101 L102V45-F98 HydrophobicContact CG1-CD1 4.09Å; V45-F98 HydrophobicContact CG2-CD1 4.07Å; A94-F98 VanDerWaalsContact O-CB 3.25Å; A94-F98 WeakPolarHBondContact O-CB 3.25Å; A94-F98 PolarHBondContact O-N 3.32Å; V96-F98 VanDerWaalsContact C-N 3.29Å; V96-F98 PolarHBondContact O-N 3.4Å; F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 2.95Å; F98-C101 PolarHBondContact O-N 3.3Å; F98-L102 HydrophobicContact CD1-CD1 3.83Å; F98-L102 HydrophobicContact CD1-CG 4.25Å; F98-L102 HydrophobicContact CE1-CD1 3.43Å; F98-L102 VanDerWaalsContact CE1-CD1 3.43Å; F98-L102 HydrophobicContact CE1-CD2 4.41Å; F98-L102 HydrophobicContact CE1-CG 3.94Å; F98-L102 HydrophobicContact CE2-CG 4.47Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.11Å; F98-L102 HydrophobicContact CZ-CG 4.05Å; F98-L102 WeakPolarHBondContact O-CB 3.44Å; F98-L102 WeakPolarHBondContact O-CG 3.36Å; F98-L102 PolarHBondContact O-N 3.3Å
99S84.4Confident80.6Confident14 Ų1477.8 Ų77.810%0.09839%0.385CS..Hα-helixtrans-58.9-43.1174.2-170.40000111.8C95 V96 Q97 L102 K103C95-S99 WeakPolarHBondContact O-CB 3.36Å; C95-S99 PolarHBondContact O-N 3.29Å; V96-S99 WeakPolarHBondContact O-CA 3.4Å; V96-S99 WeakPolarHBondContact O-CB 3.37Å; V96-S99 PolarHBondContact O-N 3.24Å; Q97-S99 PolarHBondContact O-N 3.2Å; S99-L102 WeakPolarHBondContact O-CB 3.47Å; S99-L102 PolarHBondContact O-N 3.15Å; S99-K103 WeakPolarHBondContact O-CG 3.47Å; S99-K103 PolarHBondContact O-N 3.46Å
100D82.7Confident79.4Confident61 Ų6176.1 Ų76.133%0.32638%0.377SS..Hα-helixtrans-70.7-40.9179.2-68-21.3000112.1V96 Q97 F98 L102 K103 N104V96-D100 PolarHBondContact O-N 3.36Å; Q97-D100 PolarHBondContact O-N 3.11Å; F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 2.95Å; D100-L102 VanDerWaalsContact C-N 3.26Å; D100-L102 PolarHBondContact O-N 2.7Å; D100-K103 PolarHBondContact O-N 2.94Å; D100-K103 IonicContact OD1-NZ 2.82Å; D100-K103 PolarHBondContact OD1-NZ 2.84Å; D100-N104 WeakPolarHBondContact O-CB 3.26Å; D100-N104 PolarHBondContact O-N 2.95Å; D100-N104 PolarHBondContact O-ND2 2.7Å
101C79.3Confident78Confident57 Ų5769.7 Ų69.739%0.38535%0.354SS..Hα-helixtrans-62-34.5172.7-100.20000111.3C15 Q97 F98 A105C15-C101 WeakPolarHBondContact CB-SG 3.42Å; C15-C101 WeakPolarHBondContact SG-CB 3.1Å; C15-C101 CovalentContact SG-SG 2.09Å; C15-C101 PolarHBondContact SG-SG 2.9Å; Q97-C101 WeakPolarHBondContact O-CB 3.38Å; Q97-C101 PolarHBondContact O-N 3.39Å; F98-C101 PolarHBondContact O-N 3.3Å; C101-A105 PolarHBondContact O-N 2.92Å; C101-A105 VanDerWaalsContact O-N 3.13Å
102L77.3Confident76.9Confident12 Ų1272.8 Ų72.86%0.06337%0.368CS..Hα-helixtrans-67.7-44.4171.5-77179.3000113T33 L36 V37 V40 F98 S99 D100 N104 A105T33-L102 HydrophobicContact CG2-CD2 4.42Å; L36-L102 HydrophobicContact CB-CD2 4.2Å; V37-L102 HydrophobicContact CG2-CB 4.09Å; V37-L102 HydrophobicContact CG2-CD2 3.98Å; V37-L102 WeakPolarHBondContact CG2-O 3.31Å; V40-L102 HydrophobicContact CB-CD1 4.38Å; V40-L102 HydrophobicContact CG2-CD1 3.93Å; F98-L102 HydrophobicContact CD1-CD1 3.83Å; F98-L102 HydrophobicContact CD1-CG 4.25Å; F98-L102 HydrophobicContact CE1-CD1 3.43Å; F98-L102 VanDerWaalsContact CE1-CD1 3.43Å; F98-L102 HydrophobicContact CE1-CD2 4.41Å; F98-L102 HydrophobicContact CE1-CG 3.94Å; F98-L102 HydrophobicContact CE2-CG 4.47Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.11Å; F98-L102 HydrophobicContact CZ-CG 4.05Å; F98-L102 WeakPolarHBondContact O-CB 3.44Å; F98-L102 WeakPolarHBondContact O-CG 3.36Å; F98-L102 PolarHBondContact O-N 3.3Å; S99-L102 WeakPolarHBondContact O-CB 3.47Å; S99-L102 PolarHBondContact O-N 3.15Å; D100-L102 VanDerWaalsContact C-N 3.26Å; D100-L102 PolarHBondContact O-N 2.7Å; L102-N104 VanDerWaalsContact C-N 3.26Å; L102-N104 PolarHBondContact O-N 2.94Å; L102-A105 VanDerWaalsContact O-CB 3.26Å; L102-A105 WeakPolarHBondContact O-CB 3.48Å; L102-A105 PolarHBondContact O-N 2.74Å; L102-A105 VanDerWaalsContact O-N 3.13Å
103K74.8Confident75.8Confident139 Ų13980.2 Ų80.260%0.60439%0.392SS*.Hα-helixtrans-61.2-37.2177-70168.3-161.6157.70111.9S99 D100 A105S99-K103 WeakPolarHBondContact O-CG 3.47Å; S99-K103 PolarHBondContact O-N 3.46Å; D100-K103 PolarHBondContact O-N 2.94Å; D100-K103 IonicContact OD1-NZ 2.82Å; D100-K103 PolarHBondContact OD1-NZ 2.84Å; K103-A105 VanDerWaalsContact C-N 3.31Å
104N74.2Confident74.4Confident135 Ų13576.9 Ų76.972%0.72239%0.388SS*.THydrogen-bonded Turntrans-81.5-9.1179-67.9-42.1000113.3D100 L102 K106D100-N104 WeakPolarHBondContact O-CB 3.26Å; D100-N104 PolarHBondContact O-N 2.95Å; D100-N104 PolarHBondContact O-ND2 2.7Å; L102-N104 VanDerWaalsContact C-N 3.26Å; L102-N104 PolarHBondContact O-N 2.94Å; N104-K106 PolarHBondContact O-N 2.81Å
105A70.5Confident73.2Confident24 Ų2475.3 Ų75.320%0.19837%0.374CS..SBendtrans-65.1131.917700000110.8T33 C101 L102 K103 V107T33-A105 HydrophobicContact CG2-CB 3.68Å; C101-A105 PolarHBondContact O-N 2.92Å; C101-A105 VanDerWaalsContact O-N 3.13Å; L102-A105 VanDerWaalsContact O-CB 3.26Å; L102-A105 WeakPolarHBondContact O-CB 3.48Å; L102-A105 PolarHBondContact O-N 2.74Å; L102-A105 VanDerWaalsContact O-N 3.13Å; K103-A105 VanDerWaalsContact C-N 3.31Å; A105-V107 VanDerWaalsContact C-N 3.26Å; A105-V107 PolarHBondContact O-N 3.26Å
106K65.1Low72.2Confident205 Ų20584.3 Ų84.389%0.89141%0.407SS*.  trans-7182.9172.7-78.7-175.3178.8-179.70110.2N104N104-K106 PolarHBondContact O-N 2.81Å
107V63.2Low71.2Confident14 Ų1483.1 Ų83.19%0.08541%0.406CS..  trans-71.8130.4175179.90000110.3A34 V37 A105 Q109 L111 K112A34-V107 HydrophobicContact CB-CG1 3.61Å; V37-V107 HydrophobicContact CB-CG2 3.87Å; V37-V107 HydrophobicContact CG1-CG2 3.97Å; V37-V107 HydrophobicContact CG2-CG2 3.64Å; A105-V107 VanDerWaalsContact C-N 3.26Å; A105-V107 PolarHBondContact O-N 3.26Å; V107-Q109 PolarHBondContact O-N 2.81Å; V107-L111 HydrophobicContact CG1-CB 4.11Å; V107-K112 HydrophobicContact CB-CD 4.45Å; V107-K112 HydrophobicContact CB-CG 3.9Å; V107-K112 HydrophobicContact CG1-CG 3.76Å; V107-K112 VanDerWaalsContact O-CE 3.24Å; V107-K112 WeakPolarHBondContact O-CE 3.27Å
108P60.2Low70Confident36 Ų3686.5 Ų86.523%0.23442%0.424CS..  trans-53.8136.1172.9-26.135.2000112.4K30 H110 L111 K112K30-P108 HydrophobicContact CB-CG 4.48Å; P108-H110 VanDerWaalsContact C-N 3.3Å; P108-H110 WeakPolarHBondContact CB-CE1 3.24Å; P108-H110 PolarHBondContact O-N 3Å; P108-L111 PolarHBondContact O-N 3.11Å; P108-K112 PolarHBondContact O-N 3.47Å; P108-K112 VanDerWaalsContact O-N 3.15Å
109Q68Low68.9Low139 Ų13985.3 Ų85.365%0.6542%0.422SS*.Hα-helixtrans-60.9-32.8-168.6-170.5165.9-9.600114.5V107 L111 K112 R113V107-Q109 PolarHBondContact O-N 2.81Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 3.38Å; Q109-K112 WeakPolarHBondContact O-CB 3.41Å; Q109-K112 PolarHBondContact O-N 3.19Å; Q109-R113 PolarHBondContact O-N 2.99Å
110H63.9Low68Low129 Ų12987.9 Ų87.960%0.59744%0.444SS*.Hα-helixtrans-63.7-36.2175.962.6-84000112.1P108 R113 A114P108-H110 VanDerWaalsContact C-N 3.3Å; P108-H110 WeakPolarHBondContact CB-CE1 3.24Å; P108-H110 PolarHBondContact O-N 3Å; H110-R113 PolarHBondContact O-N 3.42Å; H110-A114 PolarHBondContact O-N 3.13Å
111L62.6Low66.9Low44 Ų4492.7 Ų92.723%0.2347%0.465CS..Hα-helixtrans-77-32.6175.9-71.2160.9000111.8A34 V107 P108 Q109 R113 A114 T115A34-L111 HydrophobicContact CB-CB 3.81Å; A34-L111 HydrophobicContact CB-CD1 3.24Å; A34-L111 HydrophobicContact CB-CG 4.04Å; V107-L111 HydrophobicContact CG1-CB 4.11Å; P108-L111 PolarHBondContact O-N 3.11Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 3.38Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 2.97Å; L111-A114 PolarHBondContact O-N 2.97Å; L111-T115 VanDerWaalsContact O-CB 3.32Å; L111-T115 WeakPolarHBondContact O-CB 3.41Å; L111-T115 PolarHBondContact O-N 3.37Å; L111-T115 PolarHBondContact O-OG1 3.23Å
112K65.7Low65.6Low108 Ų10899.2 Ų99.247%0.4748%0.481SS..Hα-helixtrans-59-42.2168.4-67.7-174175.3-179.30111.6V107 P108 Q109 R116V107-K112 HydrophobicContact CB-CD 4.45Å; V107-K112 HydrophobicContact CB-CG 3.9Å; V107-K112 HydrophobicContact CG1-CG 3.76Å; V107-K112 VanDerWaalsContact O-CE 3.24Å; V107-K112 WeakPolarHBondContact O-CE 3.27Å; P108-K112 PolarHBondContact O-N 3.47Å; P108-K112 VanDerWaalsContact O-N 3.15Å; Q109-K112 WeakPolarHBondContact O-CB 3.41Å; Q109-K112 PolarHBondContact O-N 3.19Å; K112-R116 WeakPolarHBondContact O-CG 3.5Å; K112-R116 PolarHBondContact O-N 2.99Å
113R68.4Low64.2Low178 Ų178103.3 Ų103.367%0.67251%0.506SS*.Hα-helixtrans-65.4-48.4175.9-77.8-175.7176175.1-0.4111.9Q109 H110 L111 T115 R116 A117Q109-R113 PolarHBondContact O-N 2.99Å; H110-R113 PolarHBondContact O-N 3.42Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 2.97Å; R113-T115 VanDerWaalsContact C-N 3.3Å; R113-T115 PolarHBondContact O-N 2.94Å; R113-R116 PolarHBondContact O-N 2.92Å; R113-A117 PolarHBondContact O-N 3.29Å
114A62.8Low62.6Low45 Ų45101 Ų10137%0.37251%0.506SS..Hα-helixtrans-58.9-42.8176.800000111.8H110 L111 A117 L118H110-A114 PolarHBondContact O-N 3.13Å; L111-A114 PolarHBondContact O-N 2.97Å; A114-A117 PolarHBondContact O-N 2.82Å; A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 2.92Å
115T64Low61.3Low16 Ų16104.2 Ų104.210%0.09852%0.517CS..Hα-helixtrans-59.3-48.6174.7-55.30000111.5A38 L111 R113 A117 L118 L119A38-T115 HydrophobicContact CB-CG2 3.93Å; A38-T115 WeakPolarHBondContact CB-OG1 3.34Å; L111-T115 VanDerWaalsContact O-CB 3.32Å; L111-T115 WeakPolarHBondContact O-CB 3.41Å; L111-T115 PolarHBondContact O-N 3.37Å; L111-T115 PolarHBondContact O-OG1 3.23Å; R113-T115 VanDerWaalsContact C-N 3.3Å; R113-T115 PolarHBondContact O-N 2.94Å; T115-A117 VanDerWaalsContact C-N 3.31Å; T115-A117 PolarHBondContact O-N 2.9Å; T115-L118 PolarHBondContact O-N 3.37Å; T115-L119 HydrophobicContact CG2-CD1 3.93Å; T115-L119 HydrophobicContact CG2-CG 4.38Å; T115-L119 WeakPolarHBondContact O-CB 3.44Å; T115-L119 WeakPolarHBondContact O-CG 3.29Å; T115-L119 PolarHBondContact O-N 3.19Å
116R68.7Low59.9Low197 Ų197107 Ų10774%0.74353%0.534SS*.Hα-helixtrans-60.4-41.5177.7-80.9-178.4171.3-177.3-3.1112K112 R113 L119 A120K112-R116 WeakPolarHBondContact O-CG 3.5Å; K112-R116 PolarHBondContact O-N 2.99Å; R113-R116 PolarHBondContact O-N 2.92Å; R116-L119 PolarHBondContact O-N 3.21Å; R116-A120 VanDerWaalsContact O-CB 3.29Å; R116-A120 WeakPolarHBondContact O-CB 3.5Å; R116-A120 PolarHBondContact O-N 3.43Å
117A68Low58.9Low59 Ų59105.7 Ų105.749%0.48854%0.536SS..Hα-helixtrans-62-48.9176.800000111.3R113 A114 T115 L119 A120 E121R113-A117 PolarHBondContact O-N 3.29Å; A114-A117 PolarHBondContact O-N 2.82Å; T115-A117 VanDerWaalsContact C-N 3.31Å; T115-A117 PolarHBondContact O-N 2.9Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 PolarHBondContact O-N 3.33Å; A117-A120 PolarHBondContact O-N 2.93Å; A117-E121 PolarHBondContact O-N 2.98Å
118L61.3Low58Low105 Ų105110.6 Ų110.655%0.5557%0.571SS.*Hα-helixtrans-61.4-37.2177.6-72.5171000113.1A114 T115 R122A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 2.92Å; T115-L118 PolarHBondContact O-N 3.37Å; L118-R122 PolarHBondContact O-N 3.43Å
119L61Low57.1Low75 Ų75118.7 Ų118.739%0.39360%0.603SS.*Hα-helixtrans-73.1-37.4176.3-69.9174.5000112.2T115 R116 A117 E121 R122T115-L119 HydrophobicContact CG2-CD1 3.93Å; T115-L119 HydrophobicContact CG2-CG 4.38Å; T115-L119 WeakPolarHBondContact O-CB 3.44Å; T115-L119 WeakPolarHBondContact O-CG 3.29Å; T115-L119 PolarHBondContact O-N 3.19Å; R116-L119 PolarHBondContact O-N 3.21Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 PolarHBondContact O-N 3.33Å; L119-E121 VanDerWaalsContact C-N 3.3Å; L119-R122 PolarHBondContact O-N 3.24Å
120A66.7Low55.9Low67 Ų67121.9 Ų121.955%0.55461%0.614SS**Hα-helixtrans-65.2-35.917600000111.7R116 A117 R122 V123R116-A120 VanDerWaalsContact O-CB 3.29Å; R116-A120 WeakPolarHBondContact O-CB 3.5Å; R116-A120 PolarHBondContact O-N 3.43Å; A117-A120 PolarHBondContact O-N 2.93Å; A120-R122 VanDerWaalsContact C-N 3.25Å; A120-R122 PolarHBondContact O-N 3.33Å; A120-V123 PolarHBondContact O-N 3.38Å
121E59.8Low55.3Low163 Ų163125.6 Ų125.676%0.76265%0.646SS**Hα-helixtrans-67.1-25175.8-129.9177.5-178.500113.2A117 L119A117-E121 PolarHBondContact O-N 2.98Å; L119-E121 VanDerWaalsContact C-N 3.3Å
122R52Low55Low193 Ų193129.7 Ų129.773%0.72867%0.667SS**THydrogen-bonded Turntrans-88.4-3.3178.1-71.2-157.9-173.6-159.86.5114.5L118 L119 A120 P124L118-R122 PolarHBondContact O-N 3.43Å; L119-R122 PolarHBondContact O-N 3.24Å; A120-R122 VanDerWaalsContact C-N 3.25Å; A120-R122 PolarHBondContact O-N 3.33Å; R122-P124 WeakPolarHBondContact O-CD 3.4Å
123V47.2Very low54.4Low98 Ų98130.8 Ų130.859%0.59468%0.677SS**SBendtrans-72.2115.6164.6-178.60000105.9A120 Q125A120-V123 PolarHBondContact O-N 3.38Å; V123-Q125 PolarHBondContact O-N 3.15Å; V123-Q125 VanDerWaalsContact O-N 3.15Å
124P42.4Very low53.6Low92 Ų92128.2 Ų128.260%0.59768%0.678SS**  trans-58.6128.9-179.225.4-32.5000108R122 S126R122-P124 WeakPolarHBondContact O-CD 3.4Å; P124-S126 WeakPolarHBondContact CB-OG 3.46Å; P124-S126 PolarHBondContact O-N 2.77Å
125Q46.7Very low53.1Low202 Ų202133.1 Ų133.194%0.94470%0.696SS**SBendtrans-63.626.1167.4-69.7-174.9-8.900112.4V123 L127V123-Q125 PolarHBondContact O-N 3.15Å; V123-Q125 VanDerWaalsContact O-N 3.15Å; Q125-L127 PolarHBondContact O-N 3.37Å
126S40.3Very low52.4Low82 Ų82140.4 Ų140.457%0.57373%0.733SS**  trans-88.683.7164.459.10000107.4P124P124-S126 WeakPolarHBondContact CB-OG 3.46Å; P124-S126 PolarHBondContact O-N 2.77Å
127L44.8Very low51.3Low178 Ų178136.6 Ų136.693%0.93273%0.732SS**SBendtrans16851.5154.4-88.4167.6000110.5Q125Q125-L127 PolarHBondContact O-N 3.37Å
128S42.7Very low50.1Low116 Ų116142.1 Ų142.181%0.81175%0.75SS**  trans-15868.7154.9-144.30000111.4
129K42.3Very low49.3Very low207 Ų207145 Ų14590%0.977%0.765SS**  trans-120.684.3149.2-84.1-176.1177.4179.40106.2
130K43.4Very low48.3Very low206 Ų206150.8 Ų150.890%0.89680%0.796SS**  trans-119.388.7154.1-104-175.3173.7-174.30105.7
131T51.2Low46.6Very low206 Ų206158.5 Ų158.5100%1.26482%0.818SS**  trans-64.40150.4-42.40000108.4

Retrieved 131 of 131 residues in 163.9 ms (Link to these results)