A0A068BD29_MOUSE Loading...

CD320 antigen

AlphaFold DB , UniProt , Accession A0A068BD29, Species MOUSE (Mus musculus, Mouse), Gene Cd320, Length 260 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.6Very low42.6Very low249 Ų249137.2 Ų137.2100%1.22787%0.866SS**  0138.90-83.8163.7168.200108.8
2A36.8Very low43.5Very low91 Ų91140.4 Ų140.475%0.75287%0.871SS**  trans68.1104.1170.700000117.2
3R37.9Very low44Very low256 Ų256135 Ų13597%0.96686%0.859SS**  70.4112.683.1-79.6-177.9162-172.5-5110.5
4G33.6Very low44.7Very low81 Ų81137.6 Ų137.684%0.83586%0.862SS**  145.7148.661.200000104.7
5G38.3Very low45.2Very low77 Ų77136.7 Ų136.779%0.79486%0.855SS**  cis107114.936.800000109.2
6A44.3Very low45.4Very low117 Ų117137.5 Ų137.597%0.96785%0.85SS**  trans75.6140.6170.200000116.8
7G39.2Very low45.7Very low63 Ų63143.9 Ų143.965%0.64986%0.855SS**  cis-169.91445.100000108.7
8R51.9Low46Very low249 Ų249145.1 Ų145.194%0.9486%0.855SS**  37.9133.8120-55.9-17487.1-1705.8116.6
9A50.2Low46.3Very low95 Ų95143.7 Ų143.779%0.78584%0.843SS**  trans75.2114.317900000111.7
10V49.2Very low46.8Very low135 Ų135147.1 Ų147.182%0.81885%0.847SS**  -153.590.752.6176.40000107.7
11A52.1Low46.9Very low96 Ų96143.3 Ų143.379%0.79384%0.84SS**  trans-99.795.5158.400000105.6
12L54Low47.5Very low176 Ų176139.1 Ų139.192%0.92182%0.822SS**  trans171.571.9162.2-94155.6000107.8
13G50.3Low48.2Very low70 Ų70146.6 Ų146.672%0.72283%0.831SS**SBendtrans-150.76.8179.500000115.2
14L52.8Low48.7Very low172 Ų172140.2 Ų140.290%0.90182%0.821SS**SBendtrans-147.415-176.2-111.4140.6000115.3
15V52.7Low49.5Very low124 Ų124139.9 Ų139.975%0.75282%0.817SS**SBendtrans-122.115.7175.1-167.20000112
16L48.9Very low49.9Very low149 Ų149145 Ų14578%0.7883%0.825SS**SBendtrans-121.941.3176.3-146.179.5000112.6L19L16-L19 HydrophobicContact CD1-CD1 4.49Å
17R50.6Low49.9Very low246 Ų246147.6 Ų147.693%0.92882%0.817SS**SBendtrans-134.225.5163.5-80.7-150174.2179.40.5113.3
18L50.3Low50.1Low165 Ų165148.4 Ų148.486%0.86482%0.818SS**SBendtrans-126.75170.5-72.9171.8000113.3
19L52.6Low49.9Very low120 Ų120141 Ų14163%0.62881%0.81SS**SBendtrans-112.1-6.7-174.8-69.9177.3000115.7L16L16-L19 HydrophobicContact CD1-CD1 4.49Å
20F55.4Low49.7Very low210 Ų210141.8 Ų141.892%0.92181%0.807SS**SBendtrans-147.890.4173-76.2-82000110.7
21G49.2Very low49.8Very low68 Ų68139.1 Ų139.170%0.70180%0.799SS**SBendtrans-177.4108.5173.700000112
22L47.1Very low49.2Very low162 Ų162140.1 Ų140.185%0.84880%0.797SS**  trans79.972.8172.1-63.3114.5000117.4T24L22-T24 PolarHBondContact O-N 2.96Å
23R50.8Low48.8Very low248 Ų248135.4 Ų135.494%0.93678%0.784SS**  trans-50.2108.2134.1-171.8-171.7-159.3-149.44.9110.5
24T50.2Low48.6Very low122 Ų122137 Ų13775%0.74877%0.772SS**  trans-154.597.7147.947.80000104.9L22L22-T24 PolarHBondContact O-N 2.96Å
25G49.6Very low48.1Very low74 Ų74134.2 Ų134.276%0.76376%0.763SS**  9167.892.700000108.6E27G25-E27 PolarHBondContact O-N 3.42Å; G25-E27 VanDerWaalsContact O-N 3.07Å
26L46.9Very low48.1Very low183 Ų183137.7 Ų137.796%0.95876%0.762SS**  trans-79.782.9163.8-155.973.4000105.3A28L26-A28 PolarHBondContact O-N 3.46Å
27E43.9Very low48.2Very low173 Ų173134.7 Ų134.781%0.80875%0.75SS**PPolyproline II helixtrans-60.1125168.9-169.177.4121.800106.8G25 A29G25-E27 PolarHBondContact O-N 3.42Å; G25-E27 VanDerWaalsContact O-N 3.07Å; E27-A29 PolarHBondContact O-N 3.34Å
28A44.4Very low48.2Very low80 Ų80130.5 Ų130.566%0.66174%0.741SS**PPolyproline II helixtrans-55.9127171.700000107.8L26 P30L26-A28 PolarHBondContact O-N 3.46Å; A28-P30 WeakPolarHBondContact O-CD 3.45Å; A28-P30 VanDerWaalsContact O-N 3.13Å
29A46.5Very low48.4Very low93 Ų93128.4 Ų128.477%0.76973%0.734SS**PPolyproline II helixtrans-55.3122.5165.100000106.7E27E27-A29 PolarHBondContact O-N 3.34Å
30P46.7Very low48.9Very low111 Ų111128.3 Ų128.372%0.72174%0.744SS**PPolyproline II helixtrans-59.9147172.525.9-30.5000107.5A28A28-P30 WeakPolarHBondContact O-CD 3.45Å; A28-P30 VanDerWaalsContact O-N 3.13Å
31A51.6Low48.6Very low79 Ų79121.6 Ų121.665%0.65373%0.734SS**  trans-44.8160.2155.500000109A33A31-A33 PolarHBondContact O-N 3.12Å
32P38.9Very low48.7Very low117 Ų117123.9 Ų123.976%0.7674%0.739SS**  trans-61.581.6171.127.9-33.7000108.9H34P32-H34 VanDerWaalsContact C-N 3.32Å; P32-H34 PolarHBondContact O-CD2 2.84Å; P32-H34 PolarHBondContact O-N 3.23Å; P32-H34 VanDerWaalsContact O-N 3.11Å
33A46.2Very low49.3Very low77 Ų77128.1 Ų128.164%0.63674%0.744SS**  trans-70.4103.6161.100000102.4A31 T35A31-A33 PolarHBondContact O-N 3.12Å; A33-T35 PolarHBondContact O-N 2.84Å; A33-T35 VanDerWaalsContact O-N 3.09Å
34H46.2Very low49.4Very low103 Ų103120.3 Ų120.348%0.47773%0.733SS.*  trans-46.4122.9169.2-79-110.7000107.5P32 R36 W65P32-H34 VanDerWaalsContact C-N 3.32Å; P32-H34 PolarHBondContact O-CD2 2.84Å; P32-H34 PolarHBondContact O-N 3.23Å; P32-H34 VanDerWaalsContact O-N 3.11Å; H34-R36 PolarHBondContact O-N 2.91Å; H34-W65 HydrophobicContact CB-CH2 3.47Å; H34-W65 VanDerWaalsContact CB-CH2 3.47Å; H34-W65 HydrophobicContact CB-CZ2 3.62Å; H34-W65 HydrophobicContact CB-CZ3 3.98Å; H34-W65 AromaticContact CG-CZ2 3.79Å; H34-W65 AromaticContact ND1-CE2 3.47Å; H34-W65 AromaticContact ND1-CZ2 3.24Å; H34-W65 WeakPolarHBondContact ND1-CZ2 3.28Å; H34-W65 AromaticContact ND1-NE1 3.61Å
35T41.5Very low49.9Very low115 Ų115121.3 Ų121.371%0.70673%0.733SS**  trans-57.6116.7-165.6-67.70000108.8A33 V37A33-T35 PolarHBondContact O-N 2.84Å; A33-T35 VanDerWaalsContact O-N 3.09Å; T35-V37 WeakPolarHBondContact O-CG2 3.36Å; T35-V37 PolarHBondContact O-N 3.39Å
36R52.4Low50.9Low197 Ų197122.6 Ų122.674%0.74373%0.731SS**  trans-61.295.7176.1-168.1177.7-169.3156.84.8109.2H34 Q38 Y59H34-R36 PolarHBondContact O-N 2.91Å; R36-Q38 PolarHBondContact O-N 2.04Å; R36-Y59 HydrophobicContact CG-CE2 4.5Å
37V50.4Low52.4Low85 Ų85114.7 Ų114.752%0.51569%0.691SS.*  trans-70.193.3176-176.10000108.1T35 V39 Y59T35-V37 WeakPolarHBondContact O-CG2 3.36Å; T35-V37 PolarHBondContact O-N 3.39Å; V37-V39 HydrophobicContact CG1-CG2 3.79Å; V37-V39 PolarHBondContact O-N 3.17Å; V37-Y59 PolarHBondContact N-OH 3.07Å; V37-Y59 VanDerWaalsContact O-CE2 3.29Å; V37-Y59 WeakPolarHBondContact O-CE2 3.45Å; V37-Y59 PolarHBondContact O-OH 3.42Å
38Q50.6Low54.1Low158 Ų158110.5 Ų110.574%0.73868%0.678SS**  trans-7393168.4-66.9-161-59.800109.9R36 S40R36-Q38 PolarHBondContact O-N 2.04Å; Q38-S40 PolarHBondContact O-N 2.77Å
39V55.4Low55.4Low121 Ų121112.8 Ų112.873%0.73368%0.684SS**  trans-84.790.4160.6-172.50000108V37 G41V37-V39 HydrophobicContact CG1-CG2 3.79Å; V37-V39 PolarHBondContact O-N 3.17Å; V39-G41 PolarHBondContact O-N 3Å
40S64.1Low56.7Low118 Ų118114.2 Ų114.283%0.82568%0.679SS**  trans-77108.5162.7-740000108.7Q38Q38-S40 PolarHBondContact O-N 2.77Å
41G49.1Very low58.4Low69 Ų69110.7 Ų110.771%0.71166%0.655SS**  trans-163.8130.6177.700000112.6V39V39-G41 PolarHBondContact O-N 3Å
42S50.1Low59.9Low117 Ų117108.6 Ų108.682%0.81863%0.632SS**  trans-74.1126.7-165.346.10000116.3
43R60.8Low62.2Low251 Ų251107.5 Ų107.595%0.94762%0.616SS**SBendtrans32.1110.4150.9-149.4156.4-177.3136.5-2.1118.3
44A52.5Low64.3Low84 Ų84103.9 Ų103.969%0.69459%0.587SS**SBendtrans81.9118.9-17600000112.3
45D59.7Low66.1Low142 Ų142105.6 Ų105.676%0.75960%0.598SS**  cis-158.3132.914.6-89.8-38.8000107.2
46S70.4Confident67.9Low102 Ų102105.7 Ų105.771%0.71360%0.599SS**  trans56.2149.116750.40000117.7
47C79.5Confident69.3Low17 Ų1799.1 Ų99.112%0.11558%0.583CS.*SBendtrans-59.5151.4166.8-69.30000110.4T51 Q53 C60C47-T51 VanDerWaalsContact CB-OG1 3.31Å; C47-T51 WeakPolarHBondContact CB-OG1 3.26Å; C47-Q53 HydrophobicContact CB-CB 4.23Å; C47-Q53 WeakPolarHBondContact SG-CB 3.46Å; C47-Q53 WeakPolarHBondContact SG-CG 3.42Å; C47-C60 VanDerWaalsContact CA-SG 3.55Å; C47-C60 HydrophobicContact CB-CB 3.77Å; C47-C60 WeakPolarHBondContact CB-SG 3.36Å; C47-C60 VanDerWaalsContact SG-CA 3.56Å; C47-C60 WeakPolarHBondContact SG-CB 3.4Å; C47-C60 CovalentContact SG-SG 2.02Å; C47-C60 PolarHBondContact SG-SG 2.94Å
48P79.8Confident70.7Confident85 Ų8596.7 Ų96.755%0.55258%0.575SS**  trans-46.7150.9169.2-26.231.5000112D50 T51P48-D50 PolarHBondContact O-N 3.12Å; P48-T51 VanDerWaalsContact CD-OG1 3.23Å; P48-T51 WeakPolarHBondContact CD-OG1 3.47Å; P48-T51 PolarHBondContact O-N 2.99Å; P48-T51 PolarHBondContact O-OG1 2.95Å
49T71.8Confident72.4Confident128 Ų12892 Ų9279%0.78555%0.551SS**THydrogen-bonded Turntrans-55.6-24.2-174.5440000114.5L63T49-L63 WeakPolarHBondContact O-CD1 3.37Å
50D73.4Confident73.9Confident122 Ų12288 Ų8865%0.65253%0.528SS*.THydrogen-bonded Turntrans-97.415.9-177.9-51.7-40.1000113.2P48 L63P48-D50 PolarHBondContact O-N 3.12Å; D50-L63 PolarHBondContact O-N 3.16Å; D50-L63 VanDerWaalsContact O-N 3.07Å
51T81.4Confident74.9Confident37 Ų3782.4 Ų82.423%0.22749%0.489CS..EExtended strand (participates in β ladder)trans-134.5140.9-177.254.30000112C47 P48 V61C47-T51 VanDerWaalsContact CB-OG1 3.31Å; C47-T51 WeakPolarHBondContact CB-OG1 3.26Å; P48-T51 VanDerWaalsContact CD-OG1 3.23Å; P48-T51 WeakPolarHBondContact CD-OG1 3.47Å; P48-T51 PolarHBondContact O-N 2.99Å; P48-T51 PolarHBondContact O-OG1 2.95Å; T51-V61 CarbonylContact C-O 3.57Å; T51-V61 VanDerWaalsContact C-O 3.32Å; T51-V61 WeakPolarHBondContact CA-O 3.23Å; T51-V61 WeakPolarHBondContact CB-O 3.47Å
52F83.4Confident76.5Confident36 Ų3681 Ų8116%0.15847%0.467CS..EExtended strand (participates in β ladder)trans-87.4136172.2175.6-105.4000110.9C60 V61 L63 S77 D78F52-C60 CarbonylContact O-C 3.32Å; F52-C60 VanDerWaalsContact O-CA 3.27Å; F52-C60 WeakPolarHBondContact O-CA 3.26Å; F52-V61 HydrophobicContact CB-CG2 3.9Å; F52-V61 HydrophobicContact CD1-CG2 3.84Å; F52-V61 HydrophobicContact CG-CG2 4.38Å; F52-V61 PolarHBondContact N-O 2.87Å; F52-V61 PolarHBondContact O-N 3.28Å; F52-L63 HydrophobicContact CB-CD2 4.13Å; F52-S77 WeakPolarHBondContact CZ-O 3.42Å; F52-D78 HydrophobicContact CD1-CB 4.19Å; F52-D78 HydrophobicContact CE1-CB 4.2Å
53Q87.8Confident77.8Confident94 Ų9479.6 Ų79.644%0.43945%0.45SS..EExtended strand (participates in β ladder)trans-92.4117.3175.4-168162.425.100110.9C47 L55 G58 Y59C47-Q53 HydrophobicContact CB-CB 4.23Å; C47-Q53 WeakPolarHBondContact SG-CB 3.46Å; C47-Q53 WeakPolarHBondContact SG-CG 3.42Å; Q53-L55 PolarHBondContact O-N 3.36Å; Q53-G58 PolarHBondContact NE2-O 3.49Å; Q53-G58 VanDerWaalsContact NE2-O 3.11Å; Q53-Y59 CarbonylContact C-O 3.47Å; Q53-Y59 WeakPolarHBondContact CA-O 3.31Å
54C89.3Confident78.3Confident1 Ų171.9 Ų71.91%0.00743%0.434CS..PPolyproline II helixtrans-57.4135.5172.6-57.40000111T56 S57 G58 Y59 C73 S77C54-T56 PolarHBondContact O-N 3.45Å; C54-S57 WeakPolarHBondContact CB-OG 3.25Å; C54-G58 VanDerWaalsContact O-CA 3.3Å; C54-G58 WeakPolarHBondContact O-CA 3.45Å; C54-G58 PolarHBondContact O-N 3.47Å; C54-Y59 WeakPolarHBondContact CB-O 3.34Å; C54-Y59 PolarHBondContact N-O 3.22Å; C54-Y59 PolarHBondContact SG-O 3.49Å; C54-Y59 VanDerWaalsContact SG-O 3.34Å; C54-C73 VanDerWaalsContact CA-SG 3.5Å; C54-C73 HydrophobicContact CB-CB 3.71Å; C54-C73 WeakPolarHBondContact CB-SG 3.24Å; C54-C73 VanDerWaalsContact SG-CA 3.51Å; C54-C73 WeakPolarHBondContact SG-CB 3.05Å; C54-C73 CovalentContact SG-SG 2.03Å; C54-C73 PolarHBondContact SG-SG 3.18Å; C54-S77 VanDerWaalsContact CA-OG 3.3Å; C54-S77 WeakPolarHBondContact CA-OG 3.45Å
55L84.4Confident79.8Confident139 Ų13969.5 Ų69.573%0.72841%0.408SS*.THydrogen-bonded Turntrans-64.9-41.6-169.1-68.6172.6000112.7Q53 D75 S77Q53-L55 PolarHBondContact O-N 3.36Å; L55-D75 PolarHBondContact N-OD2 2.89Å; L55-S77 PolarHBondContact N-OG 2.59Å
56T80.4Confident80.8Confident117 Ų11767.5 Ų67.572%0.71839%0.389SS*.THydrogen-bonded Turntrans-94.9-45.4-173.4-51.20000112C54 D75C54-T56 PolarHBondContact O-N 3.45Å; T56-D75 VanDerWaalsContact CB-CG 3.48Å; T56-D75 WeakPolarHBondContact CB-OD2 3.44Å; T56-D75 PolarHBondContact N-OD2 3.44Å; T56-D75 WeakPolarHBondContact OG1-CB 3.44Å; T56-D75 PolarHBondContact OG1-OD2 3.4Å
57S81.1Confident81.3Confident59 Ų5964 Ų6441%0.41337%0.365SS..THydrogen-bonded Turntrans-82.5-19.8-175.363.20000113.1C54 Y59 S74C54-S57 WeakPolarHBondContact CB-OG 3.25Å; S57-Y59 PolarHBondContact O-N 3.21Å; S57-Y59 WeakPolarHBondContact OG-CB 3.31Å; S57-Y59 PolarHBondContact OG-N 3.32Å; S57-S74 WeakPolarHBondContact CB-OG 3.06Å
58G80.1Confident81.3Confident33 Ų3366.6 Ų66.634%0.3438%0.377SS..  trans65.38.8-171.900000113.5Q53 C54Q53-G58 PolarHBondContact NE2-O 3.49Å; Q53-G58 VanDerWaalsContact NE2-O 3.11Å; C54-G58 VanDerWaalsContact O-CA 3.3Å; C54-G58 WeakPolarHBondContact O-CA 3.45Å; C54-G58 PolarHBondContact O-N 3.47Å
59Y85.6Confident80.9Confident59 Ų5965.5 Ų65.523%0.23138%0.382CS..PPolyproline II helixtrans-70146.4177-178.2-107.7000110.4R36 V37 Q53 C54 S57 V61R36-Y59 HydrophobicContact CG-CE2 4.5Å; V37-Y59 PolarHBondContact N-OH 3.07Å; V37-Y59 VanDerWaalsContact O-CE2 3.29Å; V37-Y59 WeakPolarHBondContact O-CE2 3.45Å; V37-Y59 PolarHBondContact O-OH 3.42Å; Q53-Y59 CarbonylContact C-O 3.47Å; Q53-Y59 WeakPolarHBondContact CA-O 3.31Å; C54-Y59 WeakPolarHBondContact CB-O 3.34Å; C54-Y59 PolarHBondContact N-O 3.22Å; C54-Y59 PolarHBondContact SG-O 3.49Å; C54-Y59 VanDerWaalsContact SG-O 3.34Å; S57-Y59 PolarHBondContact O-N 3.21Å; S57-Y59 WeakPolarHBondContact OG-CB 3.31Å; S57-Y59 PolarHBondContact OG-N 3.32Å; Y59-V61 HydrophobicContact CD1-CG1 3.77Å; Y59-V61 HydrophobicContact CE1-CG1 3.71Å
60C88.1Confident81.2Confident38 Ų3864.4 Ų64.426%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-101.5120.7179.3-50.30000109.4C47 F52C47-C60 VanDerWaalsContact CA-SG 3.55Å; C47-C60 HydrophobicContact CB-CB 3.77Å; C47-C60 WeakPolarHBondContact CB-SG 3.36Å; C47-C60 VanDerWaalsContact SG-CA 3.56Å; C47-C60 WeakPolarHBondContact SG-CB 3.4Å; C47-C60 CovalentContact SG-SG 2.02Å; C47-C60 PolarHBondContact SG-SG 2.94Å; F52-C60 CarbonylContact O-C 3.32Å; F52-C60 VanDerWaalsContact O-CA 3.27Å; F52-C60 WeakPolarHBondContact O-CA 3.26Å
61V84.4Confident81.8Confident0 Ų065.1 Ų65.10%037%0.371CS..EExtended strand (participates in β ladder)trans-103.5150.4168.1-630000108.9T51 F52 Y59 W65 D72 D78T51-V61 CarbonylContact C-O 3.57Å; T51-V61 VanDerWaalsContact C-O 3.32Å; T51-V61 WeakPolarHBondContact CA-O 3.23Å; T51-V61 WeakPolarHBondContact CB-O 3.47Å; F52-V61 HydrophobicContact CB-CG2 3.9Å; F52-V61 HydrophobicContact CD1-CG2 3.84Å; F52-V61 HydrophobicContact CG-CG2 4.38Å; F52-V61 PolarHBondContact N-O 2.87Å; F52-V61 PolarHBondContact O-N 3.28Å; Y59-V61 HydrophobicContact CD1-CG1 3.77Å; Y59-V61 HydrophobicContact CE1-CG1 3.71Å; V61-W65 HydrophobicContact CB-CB 4.45Å; V61-W65 HydrophobicContact CB-CE3 3.97Å; V61-W65 HydrophobicContact CG1-CE3 4.19Å; V61-D72 HydrophobicContact CG1-CB 3.93Å; V61-D78 HydrophobicContact CG2-CB 4.37Å
62P82.8Confident82.2Confident39 Ų3965.8 Ų65.825%0.25337%0.373SS..EExtended strand (participates in β ladder)trans-49.8143.1168-28.437.4000112.5S64 W65P62-S64 WeakPolarHBondContact CB-OG 3.19Å; P62-S64 PolarHBondContact O-N 3.46Å; P62-S64 VanDerWaalsContact O-N 3.15Å; P62-W65 HydrophobicContact CB-CD2 4.18Å; P62-W65 HydrophobicContact CB-CG 4.15Å; P62-W65 VanDerWaalsContact CD-CD2 3.5Å; P62-W65 VanDerWaalsContact CD-CE3 3.41Å; P62-W65 HydrophobicContact CG-CD2 3.82Å; P62-W65 HydrophobicContact CG-CE3 4.16Å; P62-W65 HydrophobicContact CG-CG 4.32Å; P62-W65 HydrophobicContact CG-CH2 3.95Å; P62-W65 HydrophobicContact CG-CZ2 3.69Å; P62-W65 HydrophobicContact CG-CZ3 4.23Å; P62-W65 PolarHBondContact O-N 2.74Å
63L76.6Confident82.4Confident89 Ų8964.1 Ų64.147%0.46637%0.365SS..G310 helixtrans-59.6-24.3175.3-79.7172.7000113.2T49 D50 F52 W65 R66T49-L63 WeakPolarHBondContact O-CD1 3.37Å; D50-L63 PolarHBondContact O-N 3.16Å; D50-L63 VanDerWaalsContact O-N 3.07Å; F52-L63 HydrophobicContact CB-CD2 4.13Å; L63-W65 PolarHBondContact O-N 3.05Å; L63-R66 PolarHBondContact O-N 3.08Å
64S72.9Confident82.4Confident88 Ų8864.4 Ų64.462%0.61538%0.378SS*.G310 helixtrans-67.3-17.9174.256.40000113.9P62 R66P62-S64 WeakPolarHBondContact CB-OG 3.19Å; P62-S64 PolarHBondContact O-N 3.46Å; P62-S64 VanDerWaalsContact O-N 3.15Å; S64-R66 VanDerWaalsContact C-N 3.33Å
65W83.6Confident82.2Confident35 Ų3566.5 Ų66.513%0.13339%0.389CS..G310 helixtrans-98.517178.4-56.5-9.7000112.1H34 V61 P62 L63 D68 D72H34-W65 HydrophobicContact CB-CH2 3.47Å; H34-W65 VanDerWaalsContact CB-CH2 3.47Å; H34-W65 HydrophobicContact CB-CZ2 3.62Å; H34-W65 HydrophobicContact CB-CZ3 3.98Å; H34-W65 AromaticContact CG-CZ2 3.79Å; H34-W65 AromaticContact ND1-CE2 3.47Å; H34-W65 AromaticContact ND1-CZ2 3.24Å; H34-W65 WeakPolarHBondContact ND1-CZ2 3.28Å; H34-W65 AromaticContact ND1-NE1 3.61Å; V61-W65 HydrophobicContact CB-CB 4.45Å; V61-W65 HydrophobicContact CB-CE3 3.97Å; V61-W65 HydrophobicContact CG1-CE3 4.19Å; P62-W65 HydrophobicContact CB-CD2 4.18Å; P62-W65 HydrophobicContact CB-CG 4.15Å; P62-W65 VanDerWaalsContact CD-CD2 3.5Å; P62-W65 VanDerWaalsContact CD-CE3 3.41Å; P62-W65 HydrophobicContact CG-CD2 3.82Å; P62-W65 HydrophobicContact CG-CE3 4.16Å; P62-W65 HydrophobicContact CG-CG 4.32Å; P62-W65 HydrophobicContact CG-CH2 3.95Å; P62-W65 HydrophobicContact CG-CZ2 3.69Å; P62-W65 HydrophobicContact CG-CZ3 4.23Å; P62-W65 PolarHBondContact O-N 2.74Å; L63-W65 PolarHBondContact O-N 3.05Å; W65-D68 WeakPolarHBondContact CA-OD2 3.44Å; W65-D72 WeakPolarHBondContact CB-OD2 3.23Å; W65-D72 HydrophobicContact CE3-CB 3.86Å
66R80.6Confident82.1Confident99 Ų9960.1 Ų60.137%0.37436%0.356SS..SBendtrans-98.1118.9173.3-170.5177.6180-113.7-12.3107.3L63 S64 D68 D78L63-R66 PolarHBondContact O-N 3.08Å; S64-R66 VanDerWaalsContact C-N 3.33Å; R66-D68 VanDerWaalsContact C-N 3.33Å; R66-D78 VanDerWaalsContact CG-O 3.27Å; R66-D78 WeakPolarHBondContact CG-O 3.24Å
67C80.3Confident82.4Confident29 Ų2954.7 Ų54.720%0.19632%0.324CS..SBendtrans64.734.3-178.9-47.40000113.6D78 E79 C82 I84C67-D78 PolarHBondContact N-O 3.07Å; C67-D78 VanDerWaalsContact N-O 3.08Å; C67-E79 WeakPolarHBondContact CA-OE1 3.27Å; C67-E79 WeakPolarHBondContact CA-OE2 3.41Å; C67-E79 PolarHBondContact N-OE1 3.4Å; C67-C82 WeakPolarHBondContact CA-SG 3.13Å; C67-C82 HydrophobicContact CB-CB 3.7Å; C67-C82 WeakPolarHBondContact CB-SG 3.03Å; C67-C82 WeakPolarHBondContact SG-CA 3.35Å; C67-C82 WeakPolarHBondContact SG-CB 3.28Å; C67-C82 CovalentContact SG-SG 2.02Å; C67-C82 PolarHBondContact SG-SG 2.95Å; C67-I84 HydrophobicContact CB-CD1 3.8Å; C67-I84 HydrophobicContact CB-CG1 4.31Å
68D79.3Confident82.5Confident71 Ų7151.9 Ų51.938%0.3830%0.304SS..SBendtrans-92-1.8176.272.7-8.3000112.9W65 R66 D70 E79W65-D68 WeakPolarHBondContact CA-OD2 3.44Å; R66-D68 VanDerWaalsContact C-N 3.33Å; D68-D70 PolarHBondContact OD1-N 3.39Å; D68-E79 PolarHBondContact N-OE1 3Å
69G72.1Confident82.9Confident63 Ų6352.7 Ų52.765%0.64930%0.299SS*.SBendtrans92.3-4.3179.200000113.8E79G69-E79 VanDerWaalsContact CA-OE2 3.25Å; G69-E79 WeakPolarHBondContact CA-OE2 3.3Å; G69-E79 PolarHBondContact N-OE2 3.36Å
70D78.4Confident82.6Confident104 Ų10455.7 Ų55.756%0.55632%0.315SS*.SBendtrans-106.4142.1176.5-78.4-46.8000111.3D68 D72 E79D68-D70 PolarHBondContact OD1-N 3.39Å; D70-D72 PolarHBondContact O-N 2.71Å; D70-E79 VanDerWaalsContact O-CD 3.23Å; D70-E79 WeakPolarHBondContact O-CG 3.48Å
71Q85.6Confident81.8Confident138 Ų13858.5 Ų58.565%0.64533%0.327SS*.  trans-89.585.6-179.2-164.6-172.917.800110.7C73 G76Q71-C73 WeakPolarHBondContact CG-O 3.46Å; Q71-G76 VanDerWaalsContact NE2-N 3.19Å
72D89.4Confident81Confident50 Ų5060.4 Ų60.427%0.26734%0.34SS..  trans-87.1-30.8179-71.7-58.7000113.4V61 W65 D70 D78V61-D72 HydrophobicContact CG1-CB 3.93Å; W65-D72 WeakPolarHBondContact CB-OD2 3.23Å; W65-D72 HydrophobicContact CE3-CB 3.86Å; D70-D72 PolarHBondContact O-N 2.71Å; D72-D78 WeakPolarHBondContact CA-OD2 3.42Å; D72-D78 WeakPolarHBondContact CB-OD2 3.06Å; D72-D78 PolarHBondContact N-OD2 3.48Å
73C88.3Confident79.5Confident1 Ų166.9 Ų66.91%0.00736%0.36CS..SBendtrans-75.4136.5166.8-68.30000110.3C54 Q71 D75 G76 S77 D78C54-C73 VanDerWaalsContact CA-SG 3.5Å; C54-C73 HydrophobicContact CB-CB 3.71Å; C54-C73 WeakPolarHBondContact CB-SG 3.24Å; C54-C73 VanDerWaalsContact SG-CA 3.51Å; C54-C73 WeakPolarHBondContact SG-CB 3.05Å; C54-C73 CovalentContact SG-SG 2.03Å; C54-C73 PolarHBondContact SG-SG 3.18Å; Q71-C73 WeakPolarHBondContact CG-O 3.46Å; C73-D75 PolarHBondContact O-N 2.94Å; C73-G76 PolarHBondContact O-N 2.04Å; C73-S77 PolarHBondContact SG-OG 2.83Å; C73-S77 VanDerWaalsContact SG-OG 3.38Å; C73-D78 HydrophobicContact CB-CB 4.26Å; C73-D78 WeakPolarHBondContact CB-OD1 3.32Å; C73-D78 VanDerWaalsContact N-CG 3.29Å; C73-D78 PolarHBondContact N-OD1 3.49Å; C73-D78 PolarHBondContact N-OD2 2.93Å
74S87.3Confident78.1Confident100 Ų10067.8 Ų67.870%0.69936%0.364SS*.THydrogen-bonded Turntrans-58.6-22.8176.555.50000114.1S57S57-S74 WeakPolarHBondContact CB-OG 3.06Å
75D84.9Confident76.3Confident46 Ų4670.6 Ų70.625%0.24637%0.367CS..THydrogen-bonded Turntrans-102.71.7176.953.7-48.5000113.2L55 T56 C73 S77L55-D75 PolarHBondContact N-OD2 2.89Å; T56-D75 VanDerWaalsContact CB-CG 3.48Å; T56-D75 WeakPolarHBondContact CB-OD2 3.44Å; T56-D75 PolarHBondContact N-OD2 3.44Å; T56-D75 WeakPolarHBondContact OG1-CB 3.44Å; T56-D75 PolarHBondContact OG1-OD2 3.4Å; C73-D75 PolarHBondContact O-N 2.94Å; D75-S77 PolarHBondContact O-N 2.87Å; D75-S77 WeakPolarHBondContact OD2-CB 3.34Å; D75-S77 PolarHBondContact OD2-OG 3.14Å
76G81.8Confident74Confident4 Ų473.1 Ų73.14%0.04139%0.39CS..  trans6512.5-177.100000115.2Q71 C73 D78 E79 E80Q71-G76 VanDerWaalsContact NE2-N 3.19Å; C73-G76 PolarHBondContact O-N 2.04Å; G76-D78 VanDerWaalsContact CA-OD1 3.31Å; G76-D78 WeakPolarHBondContact CA-OD1 3.32Å; G76-D78 PolarHBondContact O-N 3.34Å; G76-D78 VanDerWaalsContact O-N 3.15Å; G76-E79 WeakPolarHBondContact O-CA 3.32Å; G76-E79 PolarHBondContact O-N 3.02Å; G76-E80 WeakPolarHBondContact O-CG 3.29Å; G76-E80 PolarHBondContact O-N 3.44Å
77S86.5Confident71.9Confident4 Ų474.5 Ų74.53%0.02841%0.414CS..THydrogen-bonded Turntrans-64.4-19.1-175.358.60000115F52 C54 L55 C73 D75 E79F52-S77 WeakPolarHBondContact CZ-O 3.42Å; C54-S77 VanDerWaalsContact CA-OG 3.3Å; C54-S77 WeakPolarHBondContact CA-OG 3.45Å; L55-S77 PolarHBondContact N-OG 2.59Å; C73-S77 PolarHBondContact SG-OG 2.83Å; C73-S77 VanDerWaalsContact SG-OG 3.38Å; D75-S77 PolarHBondContact O-N 2.87Å; D75-S77 WeakPolarHBondContact OD2-CB 3.34Å; D75-S77 PolarHBondContact OD2-OG 3.14Å; S77-E79 VanDerWaalsContact C-N 3.27Å
78D84.1Confident69.7Low0 Ų076.2 Ų76.20%043%0.43CS..THydrogen-bonded Turntrans-65.4-30.616950.6-28.6000112.6F52 V61 R66 C67 D72 C73 G76F52-D78 HydrophobicContact CD1-CB 4.19Å; F52-D78 HydrophobicContact CE1-CB 4.2Å; V61-D78 HydrophobicContact CG2-CB 4.37Å; R66-D78 VanDerWaalsContact CG-O 3.27Å; R66-D78 WeakPolarHBondContact CG-O 3.24Å; C67-D78 PolarHBondContact N-O 3.07Å; C67-D78 VanDerWaalsContact N-O 3.08Å; D72-D78 WeakPolarHBondContact CA-OD2 3.42Å; D72-D78 WeakPolarHBondContact CB-OD2 3.06Å; D72-D78 PolarHBondContact N-OD2 3.48Å; C73-D78 HydrophobicContact CB-CB 4.26Å; C73-D78 WeakPolarHBondContact CB-OD1 3.32Å; C73-D78 VanDerWaalsContact N-CG 3.29Å; C73-D78 PolarHBondContact N-OD1 3.49Å; C73-D78 PolarHBondContact N-OD2 2.93Å; G76-D78 VanDerWaalsContact CA-OD1 3.31Å; G76-D78 WeakPolarHBondContact CA-OD1 3.32Å; G76-D78 PolarHBondContact O-N 3.34Å; G76-D78 VanDerWaalsContact O-N 3.15Å
79E88.3Confident67.5Low49 Ų4981.9 Ų81.923%0.22945%0.454CS..SBendtrans-97.85.4178.3-59.3-53.6104.600113.2C67 D68 G69 D70 G76 S77 C82C67-E79 WeakPolarHBondContact CA-OE1 3.27Å; C67-E79 WeakPolarHBondContact CA-OE2 3.41Å; C67-E79 PolarHBondContact N-OE1 3.4Å; D68-E79 PolarHBondContact N-OE1 3Å; G69-E79 VanDerWaalsContact CA-OE2 3.25Å; G69-E79 WeakPolarHBondContact CA-OE2 3.3Å; G69-E79 PolarHBondContact N-OE2 3.36Å; D70-E79 VanDerWaalsContact O-CD 3.23Å; D70-E79 WeakPolarHBondContact O-CG 3.48Å; G76-E79 WeakPolarHBondContact O-CA 3.32Å; G76-E79 PolarHBondContact O-N 3.02Å; S77-E79 VanDerWaalsContact C-N 3.27Å; E79-C82 PolarHBondContact O-SG 3.13Å; E79-C82 VanDerWaalsContact O-SG 3.38Å
80E80.3Confident65.5Low123 Ų12386.6 Ų86.658%0.57546%0.464SS*.SBendtrans-103.1148.4-179-65.3-71.5159.400112.2G76 C82G76-E80 WeakPolarHBondContact O-CG 3.29Å; G76-E80 PolarHBondContact O-N 3.44Å; E80-C82 PolarHBondContact O-N 3.33Å; E80-C82 VanDerWaalsContact O-N 3.14Å
81D70.3Confident63.5Low96 Ų9685.3 Ų85.351%0.51348%0.476SS..SBendtrans50.332.1-170.8-158.739.8000112.9R83D81-R83 VanDerWaalsContact CG-NH1 3.31Å; D81-R83 PolarHBondContact O-N 3.24Å; D81-R83 IonicContact OD1-CZ 3.12Å; D81-R83 IonicContact OD1-NE 3.67Å; D81-R83 IonicContact OD1-NH1 3.87Å; D81-R83 PolarHBondContact OD1-NH1 3Å; D81-R83 IonicContact OD1-NH2 3.39Å; D81-R83 PolarHBondContact OD1-NH2 3.48Å; D81-R83 IonicContact OD2-CZ 3.46Å; D81-R83 IonicContact OD2-NH1 2.71Å; D81-R83 PolarHBondContact OD2-NH1 3.37Å; D81-R83 IonicContact OD2-NH2 3.37Å
82C68.6Low60.9Low40 Ų4087.4 Ų87.427%0.2749%0.486SS..  trans-68.578.9163.7-640000108C67 E79 E80 I84C67-C82 WeakPolarHBondContact CA-SG 3.13Å; C67-C82 HydrophobicContact CB-CB 3.7Å; C67-C82 WeakPolarHBondContact CB-SG 3.03Å; C67-C82 WeakPolarHBondContact SG-CA 3.35Å; C67-C82 WeakPolarHBondContact SG-CB 3.28Å; C67-C82 CovalentContact SG-SG 2.02Å; C67-C82 PolarHBondContact SG-SG 2.95Å; E79-C82 PolarHBondContact O-SG 3.13Å; E79-C82 VanDerWaalsContact O-SG 3.38Å; E80-C82 PolarHBondContact O-N 3.33Å; E80-C82 VanDerWaalsContact O-N 3.14Å; C82-I84 HydrophobicContact CB-CG1 4.47Å; C82-I84 PolarHBondContact O-N 2.96Å
83R51.1Low58.2Low175 Ų17589.7 Ų89.766%0.6651%0.505SS*.  trans-70.657.3159.7-63.8-167.5-175.475.817108.9D81 E85D81-R83 VanDerWaalsContact CG-NH1 3.31Å; D81-R83 PolarHBondContact O-N 3.24Å; D81-R83 IonicContact OD1-CZ 3.12Å; D81-R83 IonicContact OD1-NE 3.67Å; D81-R83 IonicContact OD1-NH1 3.87Å; D81-R83 PolarHBondContact OD1-NH1 3Å; D81-R83 IonicContact OD1-NH2 3.39Å; D81-R83 PolarHBondContact OD1-NH2 3.48Å; D81-R83 IonicContact OD2-CZ 3.46Å; D81-R83 IonicContact OD2-NH1 2.71Å; D81-R83 PolarHBondContact OD2-NH1 3.37Å; D81-R83 IonicContact OD2-NH2 3.37Å; R83-E85 PolarHBondContact O-N 3Å
84I46.8Very low55.5Low109 Ų10998.6 Ų98.656%0.55955%0.546SS*.  trans-72.586.1148.3-54-179.6000102.3C67 C82 S86C67-I84 HydrophobicContact CB-CD1 3.8Å; C67-I84 HydrophobicContact CB-CG1 4.31Å; C82-I84 HydrophobicContact CB-CG1 4.47Å; C82-I84 PolarHBondContact O-N 2.96Å; I84-S86 PolarHBondContact O-N 3.33Å
85E35.6Very low53.1Low146 Ų14699.3 Ų99.368%0.68255%0.549SS*.  trans-55.4103.4152.7-78.7-167.9171.500104R83 C87R83-E85 PolarHBondContact O-N 3Å; E85-C87 PolarHBondContact O-N 3.06Å
86S33.6Very low50.7Low88 Ų88104.7 Ų104.762%0.61557%0.572SS**  trans-40.5123.2158.7-50.50000104.7I84 A88I84-S86 PolarHBondContact O-N 3.33Å; S86-A88 PolarHBondContact O-N 3.03Å
87C37.3Very low48.6Very low128 Ų128110.8 Ų110.887%0.86562%0.615SS**SBendtrans-67.968.1174.8-62.10000108E85E85-C87 PolarHBondContact O-N 3.06Å
88A34.3Very low46.3Very low66 Ų66115 Ų11555%0.54565%0.649SS.*  trans-135106.7-171.500000105.4S86S86-A88 PolarHBondContact O-N 3.03Å
89Q33.2Very low44.2Very low189 Ų189122 Ų12288%0.88369%0.686SS**SBendtrans93.5104.4169.7-60.7165.57.800116.2
90N29.5Very low41.7Very low162 Ų162125.8 Ų125.887%0.86672%0.715SS**SBendtrans84.821152.9-79.211000121Q92N90-Q92 PolarHBondContact O-N 2.93Å
91G36.9Very low39.7Very low78 Ų78125.2 Ų125.280%0.80472%0.723SS**SBendtrans64.439.9147.800000116.7
92Q30.2Very low38.4Very low181 Ų181125.6 Ų125.685%0.84673%0.733SS**  trans-138.395.4164.6-68.3-172.6-15.800109.4N90N90-Q92 PolarHBondContact O-N 2.93Å
93C34.4Very low37.4Very low99 Ų99127.9 Ų127.967%0.66975%0.748SS**  trans-101.6129.7171.3-63.20000109.1
94Q30.3Very low36.9Very low187 Ų187124.7 Ų124.787%0.87475%0.745SS**  trans-101.9115.3167.7-162.3158.9-64.100107.5Q96Q94-Q96 PolarHBondContact O-N 2.77Å
95P36.5Very low36.7Very low115 Ų115126 Ų12675%0.74775%0.753SS**  trans-74.8129.7-173.128.3-31.2000110.3
96Q35Very low37Very low159 Ų159126.8 Ų126.874%0.74376%0.76SS**  trans-75140.7160.3-65.6-159.4-5700109.3Q94 A98Q94-Q96 PolarHBondContact O-N 2.77Å; Q96-A98 PolarHBondContact O-N 3.45Å
97S38.3Very low37.2Very low133 Ų133128 Ų12893%0.9377%0.769SS**THydrogen-bonded Turntrans-76.139.3-152.5-38.40000116.4
98A38.4Very low37.3Very low91 Ų91125.1 Ų125.175%0.75276%0.761SS**THydrogen-bonded Turntrans-139.98.6-174.900000116.6Q96Q96-A98 PolarHBondContact O-N 3.45Å
99L38.9Very low37.6Very low149 Ų149127.2 Ų127.278%0.7877%0.77SS**SBendtrans-109.6129.5170.7-75.393.2000110.8C101L99-C101 PolarHBondContact O-N 3.16Å
100P36.3Very low38Very low127 Ų127123.2 Ų123.283%0.82576%0.763SS**PPolyproline II helixtrans-63.2125.9174.426.9-31.4000108.4S102P100-S102 PolarHBondContact O-N 3Å
101C38.2Very low38.4Very low111 Ų111122.5 Ų122.575%0.7576%0.759SS**PPolyproline II helixtrans-55.1120.9-179.8-47.40000109.6L99 C103L99-C101 PolarHBondContact O-N 3.16Å; C101-C103 PolarHBondContact O-N 2.73Å
102S43.4Very low39Very low104 Ų104124 Ų12473%0.72775%0.752SS**PPolyproline II helixtrans-63.5118.7172176.90000108.9P100 D104P100-S102 PolarHBondContact O-N 3Å; S102-D104 PolarHBondContact O-N 2.94Å; S102-D104 VanDerWaalsContact O-N 3.14Å
103C46.3Very low39.7Very low88 Ų88120.3 Ų120.360%0.59575%0.747SS**THydrogen-bonded Turntrans-81.925.6-171.2-103.70000111.9C101 C119C101-C103 PolarHBondContact O-N 2.73Å; C103-C119 WeakPolarHBondContact CB-SG 3.48Å; C103-C119 WeakPolarHBondContact SG-CB 3.28Å; C103-C119 CovalentContact SG-SG 2.12Å; C103-C119 PolarHBondContact SG-SG 3.05Å
104D42.4Very low40.2Very low108 Ų108122.3 Ų122.358%0.57875%0.751SS**THydrogen-bonded Turntrans-110.55.3-168.4-82.5-24.9000118S102S102-D104 PolarHBondContact O-N 2.94Å; S102-D104 VanDerWaalsContact O-N 3.14Å
105N40.8Very low40.9Very low138 Ų138122.1 Ų122.174%0.73875%0.747SS**  trans-157.699.9161.3-133.7-43.1000113.2S107N105-S107 PolarHBondContact O-N 2.85Å
106I42Very low41.3Very low161 Ų161123.8 Ų123.883%0.82675%0.75SS**THydrogen-bonded Turntrans-72.574.6175.711.2169.4000110.5
107S38.2Very low41.7Very low114 Ų114123.6 Ų123.680%0.79775%0.753SS**THydrogen-bonded Turntrans-139.99.1158.969.40000114.2N105N105-S107 PolarHBondContact O-N 2.85Å
108G40.9Very low41.8Very low68 Ų68123.3 Ų123.370%0.70174%0.741SS**SBendtrans-122.8-5.5-178.400000116.3S110G108-S110 PolarHBondContact O-N 3.43Å
109C39.2Very low42.1Very low110 Ų110122.7 Ų122.774%0.74373%0.73SS**  trans-83.785.3179.4-57.50000109.9
110S42Very low42.6Very low105 Ų105119.6 Ų119.673%0.73472%0.721SS**  trans-73.6134.4164.3-154.90000108.7G108G108-S110 PolarHBondContact O-N 3.43Å
111D38.9Very low43.5Very low146 Ų146119 Ų11978%0.78170%0.703SS**  trans85.388.9177-50.6-26.3000115.7S113D111-S113 PolarHBondContact O-N 3.2Å
112V48.1Very low44.6Very low110 Ų110118.1 Ų118.167%0.66770%0.695SS**THydrogen-bonded Turntrans-53.299.3160.4176.40000109.5
113S46.1Very low45.7Very low104 Ų104119.2 Ų119.273%0.72770%0.7SS**THydrogen-bonded Turntrans-153.3-20.3153.9-780000115.3D111D111-S113 PolarHBondContact O-N 3.2Å
114D44.2Very low47.1Very low140 Ų140116.5 Ų116.575%0.74968%0.682SS**  trans-116.746.4-178.9-66-45.5000113.7N116 L117D114-N116 PolarHBondContact O-N 2.62Å; D114-L117 PolarHBondContact O-N 3.12Å
115K44.9Very low48.8Very low183 Ų183118.5 Ų118.580%0.79669%0.687SS**THydrogen-bonded Turntrans-6712.1166.4-57-162.3179.9-169.50113.7
116N44.3Very low49.6Very low150 Ų150121.1 Ų121.180%0.80270%0.695SS**THydrogen-bonded Turntrans-117.59.2178.3-163.747.9000112.7D114 N118D114-N116 PolarHBondContact O-N 2.62Å; N116-N118 PolarHBondContact O-N 3.08Å; N116-N118 VanDerWaalsContact O-N 3.14Å
117L44.1Very low50.8Low156 Ų156118 Ų11882%0.81769%0.688SS**SBendtrans-76.8101.8157.5-14774.8000106.7D114 C119D114-L117 PolarHBondContact O-N 3.12Å; L117-C119 VanDerWaalsContact C-N 3.31Å; L117-C119 PolarHBondContact O-N 3.22Å
118N40.7Very low52.7Low126 Ų126116.5 Ų116.567%0.67467%0.668SS**  trans-47.783.3-179.1-165.417.3000112.1N116 S120N116-N118 PolarHBondContact O-N 3.08Å; N116-N118 VanDerWaalsContact O-N 3.14Å; N118-S120 PolarHBondContact ND2-OG 3.02Å; N118-S120 PolarHBondContact O-N 3.4Å; N118-S120 WeakPolarHBondContact OD1-CA 3.41Å; N118-S120 VanDerWaalsContact OD1-CB 3.24Å; N118-S120 WeakPolarHBondContact OD1-CB 3.38Å; N118-S120 PolarHBondContact OD1-OG 3.07Å
119C44.2Very low54.4Low78 Ų78114.6 Ų114.653%0.52764%0.641SS.*  trans-64.574.2152.8-89.70000104.8C103 L117 R121C103-C119 WeakPolarHBondContact CB-SG 3.48Å; C103-C119 WeakPolarHBondContact SG-CB 3.28Å; C103-C119 CovalentContact SG-SG 2.12Å; C103-C119 PolarHBondContact SG-SG 3.05Å; L117-C119 VanDerWaalsContact C-N 3.31Å; L117-C119 PolarHBondContact O-N 3.22Å; C119-R121 PolarHBondContact O-N 3.46Å; C119-R121 VanDerWaalsContact O-N 3.14Å
120S48.9Very low56.4Low84 Ų84110.8 Ų110.859%0.58761%0.613SS**  trans-74.15.7-174.2-120.70000113.2N118N118-S120 PolarHBondContact ND2-OG 3.02Å; N118-S120 PolarHBondContact O-N 3.4Å; N118-S120 WeakPolarHBondContact OD1-CA 3.41Å; N118-S120 VanDerWaalsContact OD1-CB 3.24Å; N118-S120 WeakPolarHBondContact OD1-CB 3.38Å; N118-S120 PolarHBondContact OD1-OG 3.07Å
121R55.9Low58.4Low116 Ų116105.9 Ų105.944%0.43858%0.579SS.*SBendtrans-80.5126.8179.3-71.6-176.7156.1175.5-2.8108.8C119 M132 L133 D135C119-R121 PolarHBondContact O-N 3.46Å; C119-R121 VanDerWaalsContact O-N 3.14Å; R121-M132 PolarHBondContact NH1-O 3.14Å; R121-L133 PolarHBondContact NH2-O 2.75Å; R121-D135 WeakPolarHBondContact CD-OD1 3.49Å; R121-D135 WeakPolarHBondContact CG-OD1 3Å; R121-D135 IonicContact CZ-OD1 2.96Å; R121-D135 IonicContact NE-OD1 2.98Å; R121-D135 PolarHBondContact NE-OD1 3.14Å; R121-D135 IonicContact NH2-OD1 2.86Å; R121-D135 PolarHBondContact NH2-OD1 3.48Å
122P61.9Low60.2Low91 Ų91104.9 Ų104.959%0.59157%0.571SS**PPolyproline II helixtrans-54.6133175-22.231.9000109.9C124P122-C124 PolarHBondContact O-N 3.44Å
123P64.9Low61.3Low127 Ų127105.8 Ų105.883%0.82557%0.571SS**PPolyproline II helixtrans-63.9134174.326.6-32.8000109.6
124C77.1Confident62.5Low32 Ų32103.3 Ų103.322%0.21655%0.549CS..PPolyproline II helixtrans-65.2162.9170.4-57.50000110.7P122 E128 H130 C137P122-C124 PolarHBondContact O-N 3.44Å; C124-E128 HydrophobicContact CB-CB 3.66Å; C124-H130 PolarHBondContact SG-ND1 3.38Å; C124-C137 VanDerWaalsContact CA-SG 3.56Å; C124-C137 HydrophobicContact CB-CB 3.78Å; C124-C137 WeakPolarHBondContact CB-SG 3.46Å; C124-C137 WeakPolarHBondContact SG-CB 3.39Å; C124-C137 CovalentContact SG-SG 2.04Å; C124-C137 PolarHBondContact SG-SG 3.24Å
125Q77.9Confident63.9Low149 Ų149101.7 Ų101.770%0.69654%0.541SS*.PPolyproline II helixtrans-67.1159.3175.8-62.9-141.9-16.800111.5S127 E128Q125-S127 PolarHBondContact O-N 2.02Å; Q125-S127 VanDerWaalsContact O-N 3.12Å; Q125-E128 HydrophobicContact CB-CG 4.43Å; Q125-E128 WeakPolarHBondContact CB-OE2 3.39Å; Q125-E128 PolarHBondContact N-OE2 2.78Å; Q125-E128 PolarHBondContact O-N 3.39Å
126E57.7Low65.8Low194 Ų19496.4 Ų96.491%0.90752%0.524SS*.THydrogen-bonded Turntrans-56.7119.1173.8-168.1164.4-154.100108.4
127S66.6Low67.8Low95 Ų9591.6 Ų91.666%0.66450%0.501SS*.THydrogen-bonded Turntrans90.56.5-171.477.20000118.6Q125 H140Q125-S127 PolarHBondContact O-N 2.02Å; Q125-S127 VanDerWaalsContact O-N 3.12Å; S127-H140 WeakPolarHBondContact O-CB 3.39Å; S127-H140 PolarHBondContact O-N 3.38Å
128E78.3Confident69.7Low83 Ų8384.4 Ų84.439%0.38846%0.464SS..EExtended strand (participates in β ladder)trans-107.5146.9169.3-67.7173.1166.900110.7C124 Q125 C137 I138C124-E128 HydrophobicContact CB-CB 3.66Å; Q125-E128 HydrophobicContact CB-CG 4.43Å; Q125-E128 WeakPolarHBondContact CB-OE2 3.39Å; Q125-E128 PolarHBondContact N-OE2 2.78Å; Q125-E128 PolarHBondContact O-N 3.39Å; E128-C137 HydrophobicContact CB-CB 4.22Å; E128-I138 CarbonylContact C-O 3.51Å; E128-I138 VanDerWaalsContact CA-O 3.25Å; E128-I138 WeakPolarHBondContact CA-O 3.34Å
129L76.2Confident71.9Confident27 Ų2780.5 Ų80.514%0.14145%0.445CS..EExtended strand (participates in β ladder)trans-113149.7174.667.5119.3000110.6C137 I138 P139 H140 R143L129-C137 CarbonylContact O-C 3.53Å; L129-C137 VanDerWaalsContact O-CA 3.26Å; L129-C137 WeakPolarHBondContact O-CA 3.36Å; L129-I138 HydrophobicContact CD1-CD1 3.83Å; L129-I138 HydrophobicContact CD1-CG1 3.59Å; L129-I138 HydrophobicContact CD2-CD1 4.26Å; L129-I138 HydrophobicContact CD2-CG1 3.75Å; L129-I138 HydrophobicContact CG-CD1 4.16Å; L129-I138 HydrophobicContact CG-CG1 3.44Å; L129-I138 VanDerWaalsContact CG-CG1 3.44Å; L129-I138 PolarHBondContact N-O 3.3Å; L129-I138 PolarHBondContact O-N 3.02Å; L129-P139 VanDerWaalsContact CD2-O 3.31Å; L129-P139 WeakPolarHBondContact CD2-O 3.34Å; L129-H140 VanDerWaalsContact CD2-CA 3.46Å; L129-H140 HydrophobicContact CD2-CB 4.46Å; L129-R143 HydrophobicContact CD2-CB 3.92Å
130H80.4Confident73.5Confident31 Ų3183 Ų8314%0.14445%0.449CS..EExtended strand (participates in β ladder)trans-93.1136.8179.6-148.476000110.2C124 D134 D135C124-H130 PolarHBondContact SG-ND1 3.38Å; H130-D134 PolarHBondContact NE2-O 2.12Å; H130-D135 WeakPolarHBondContact NE2-CA 2.92Å; H130-D135 IonicContact NE2-OD1 3.8Å
131C85.3Confident75Confident2 Ų284 Ų841%0.01445%0.452CS..  trans-64.9153168.8-60.10000110.2D134 V136 C150C131-D134 HydrophobicContact CB-CB 4.47Å; C131-V136 PolarHBondContact N-O 3.08Å; C131-C150 VanDerWaalsContact CA-SG 3.59Å; C131-C150 HydrophobicContact CB-CB 3.77Å; C131-C150 WeakPolarHBondContact CB-SG 3.22Å; C131-C150 WeakPolarHBondContact SG-CB 3.21Å; C131-C150 CovalentContact SG-SG 2.04Å; C131-C150 PolarHBondContact SG-SG 3.44Å
132M77.4Confident76.5Confident125 Ų12583.5 Ų83.562%0.61645%0.45SS*.SBendtrans-71.2-46.8-174.6-67.4180-164.500112.2R121 D152 S154R121-M132 PolarHBondContact NH1-O 3.14Å; M132-D152 WeakPolarHBondContact CB-OD2 3.11Å; M132-D152 PolarHBondContact N-OD2 2.86Å; M132-S154 VanDerWaalsContact CG-CB 3.49Å; M132-S154 PolarHBondContact N-OG 3.02Å; M132-S154 VanDerWaalsContact N-OG 3.07Å
133L71.1Confident77.5Confident128 Ų12884.6 Ų84.667%0.6744%0.442SS*.SBendtrans-90-34.4-177.4-70.1178.8000113.8R121 D152R121-L133 PolarHBondContact NH2-O 2.75Å; L133-D152 HydrophobicContact CB-CB 4.03Å; L133-D152 WeakPolarHBondContact CB-OD2 3.22Å; L133-D152 HydrophobicContact CD1-CB 3.72Å; L133-D152 HydrophobicContact CG-CB 4.08Å; L133-D152 WeakPolarHBondContact CG-OD2 3.25Å; L133-D152 PolarHBondContact N-OD2 3.02Å
134D70.1Confident78.6Confident52 Ų5280.8 Ų80.828%0.27842%0.418SS..SBendtrans-104.7155.1-174.6-67.1-75.2000113.5H130 C131 V136 L151H130-D134 PolarHBondContact NE2-O 2.12Å; C131-D134 HydrophobicContact CB-CB 4.47Å; D134-V136 HydrophobicContact CB-CB 4.36Å; D134-V136 HydrophobicContact CB-CG2 4.01Å; D134-V136 PolarHBondContact O-N 3.46Å; D134-L151 WeakPolarHBondContact OD2-CB 3.31Å
135D74.2Confident78.9Confident107 Ų10783.1 Ų83.157%0.57243%0.428SS*.SBendtrans-77.732174.8-59.9-33.5000112.6R121 H130R121-D135 WeakPolarHBondContact CD-OD1 3.49Å; R121-D135 WeakPolarHBondContact CG-OD1 3Å; R121-D135 IonicContact CZ-OD1 2.96Å; R121-D135 IonicContact NE-OD1 2.98Å; R121-D135 PolarHBondContact NE-OD1 3.14Å; R121-D135 IonicContact NH2-OD1 2.86Å; R121-D135 PolarHBondContact NH2-OD1 3.48Å; H130-D135 WeakPolarHBondContact NE2-CA 2.92Å; H130-D135 IonicContact NE2-OD1 3.8Å
136V83.6Confident79Confident72 Ų7279 Ų7944%0.43643%0.427SS..  trans-97.5129.7-176.1175.70000109.2C131 D134 I138C131-V136 PolarHBondContact N-O 3.08Å; D134-V136 HydrophobicContact CB-CB 4.36Å; D134-V136 HydrophobicContact CB-CG2 4.01Å; D134-V136 PolarHBondContact O-N 3.46Å; V136-I138 HydrophobicContact CG1-CG2 4.05Å
137C86.9Confident80.3Confident48 Ų4874.9 Ų74.932%0.32441%0.407SS..EExtended strand (participates in β ladder)trans-99.7129.2172.5-61.20000109.3C124 E128 L129C124-C137 VanDerWaalsContact CA-SG 3.56Å; C124-C137 HydrophobicContact CB-CB 3.78Å; C124-C137 WeakPolarHBondContact CB-SG 3.46Å; C124-C137 WeakPolarHBondContact SG-CB 3.39Å; C124-C137 CovalentContact SG-SG 2.04Å; C124-C137 PolarHBondContact SG-SG 3.24Å; E128-C137 HydrophobicContact CB-CB 4.22Å; L129-C137 CarbonylContact O-C 3.53Å; L129-C137 VanDerWaalsContact O-CA 3.26Å; L129-C137 WeakPolarHBondContact O-CA 3.36Å
138I84.8Confident81.3Confident5 Ų573.6 Ų73.63%0.02640%0.397CS..EExtended strand (participates in β ladder)trans-118.5155.4174.470.4170.4000110.7E128 L129 V136 W142 D149 D155E128-I138 CarbonylContact C-O 3.51Å; E128-I138 VanDerWaalsContact CA-O 3.25Å; E128-I138 WeakPolarHBondContact CA-O 3.34Å; L129-I138 HydrophobicContact CD1-CD1 3.83Å; L129-I138 HydrophobicContact CD1-CG1 3.59Å; L129-I138 HydrophobicContact CD2-CD1 4.26Å; L129-I138 HydrophobicContact CD2-CG1 3.75Å; L129-I138 HydrophobicContact CG-CD1 4.16Å; L129-I138 HydrophobicContact CG-CG1 3.44Å; L129-I138 VanDerWaalsContact CG-CG1 3.44Å; L129-I138 PolarHBondContact N-O 3.3Å; L129-I138 PolarHBondContact O-N 3.02Å; V136-I138 HydrophobicContact CG1-CG2 4.05Å; I138-W142 HydrophobicContact CB-CE3 3.93Å; I138-W142 HydrophobicContact CD1-CB 3.92Å; I138-W142 HydrophobicContact CG1-CB 4.46Å; I138-W142 HydrophobicContact CG2-CE3 4.24Å; I138-D149 HydrophobicContact CD1-CB 4.01Å; I138-D149 HydrophobicContact CG2-CB 4.35Å; I138-D155 HydrophobicContact CD1-CB 3.44Å; I138-D155 VanDerWaalsContact CD1-CB 3.44Å
139P86.4Confident81.8Confident45 Ų4571.5 Ų71.529%0.29239%0.388SS..EExtended strand (participates in β ladder)trans-60.4144.4174.3-23.334.3000112.9L129 T141 W142L129-P139 VanDerWaalsContact CD2-O 3.31Å; L129-P139 WeakPolarHBondContact CD2-O 3.34Å; P139-T141 PolarHBondContact O-N 2.99Å; P139-W142 HydrophobicContact CB-CD2 4.44Å; P139-W142 HydrophobicContact CB-CG 4.28Å; P139-W142 HydrophobicContact CG-CD2 3.93Å; P139-W142 HydrophobicContact CG-CE3 4.32Å; P139-W142 HydrophobicContact CG-CG 4.29Å; P139-W142 HydrophobicContact CG-CZ2 4.28Å; P139-W142 WeakPolarHBondContact O-CB 3.49Å; P139-W142 PolarHBondContact O-N 2.99Å
140H78.8Confident82.3Confident129 Ų12970.4 Ų70.460%0.59738%0.383SS*.G310 helixtrans-54.7-24.2173.7-168-65.2000113.9S127 L129 W142 R143S127-H140 WeakPolarHBondContact O-CB 3.39Å; S127-H140 PolarHBondContact O-N 3.38Å; L129-H140 VanDerWaalsContact CD2-CA 3.46Å; L129-H140 HydrophobicContact CD2-CB 4.46Å; H140-W142 PolarHBondContact O-N 3.47Å; H140-R143 PolarHBondContact O-N 3.07Å
141T78.6Confident82.6Confident107 Ų10776.1 Ų76.166%0.65641%0.413SS*.G310 helixtrans-71.7-14.4176.551.10000114.4P139P139-T141 PolarHBondContact O-N 2.99Å
142W88.2Confident82.5Confident105 Ų10577.7 Ų77.740%0.39842%0.422SS..G310 helixtrans-96.81.4180-64-1.9000112.1I138 P139 H140 D149I138-W142 HydrophobicContact CB-CE3 3.93Å; I138-W142 HydrophobicContact CD1-CB 3.92Å; I138-W142 HydrophobicContact CG1-CB 4.46Å; I138-W142 HydrophobicContact CG2-CE3 4.24Å; P139-W142 HydrophobicContact CB-CD2 4.44Å; P139-W142 HydrophobicContact CB-CG 4.28Å; P139-W142 HydrophobicContact CG-CD2 3.93Å; P139-W142 HydrophobicContact CG-CE3 4.32Å; P139-W142 HydrophobicContact CG-CG 4.29Å; P139-W142 HydrophobicContact CG-CZ2 4.28Å; P139-W142 WeakPolarHBondContact O-CB 3.49Å; P139-W142 PolarHBondContact O-N 2.99Å; H140-W142 PolarHBondContact O-N 3.47Å; W142-D149 HydrophobicContact CB-CB 4.42Å; W142-D149 WeakPolarHBondContact CB-OD2 3.2Å; W142-D149 HydrophobicContact CD2-CB 4.47Å; W142-D149 HydrophobicContact CE3-CB 3.68Å; W142-D149 VanDerWaalsContact CE3-OD1 3.3Å; W142-D149 HydrophobicContact CZ3-CB 4.33Å; W142-D149 WeakPolarHBondContact CZ3-OD1 3.39Å
143R83.7Confident82.8Confident113 Ų11374 Ų7443%0.42641%0.408SS..THydrogen-bonded Turntrans-79.6122.9169.4-171.8173.9-176.2-78.9-9.6108.8L129 H140 D145L129-R143 HydrophobicContact CD2-CB 3.92Å; H140-R143 PolarHBondContact O-N 3.07Å; R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 PolarHBondContact O-N 3.39Å
144C86.9Confident83.4Confident47 Ų4768.3 Ų68.332%0.31838%0.379SS..THydrogen-bonded Turntrans58.636177.7-56.30000113.4G146 D155 E156 C159C144-G146 VanDerWaalsContact C-N 3.32Å; C144-D155 PolarHBondContact N-O 2.99Å; C144-E156 VanDerWaalsContact CA-OE1 3.23Å; C144-E156 WeakPolarHBondContact CA-OE1 3.35Å; C144-E156 PolarHBondContact N-OE1 3.37Å; C144-C159 WeakPolarHBondContact CA-SG 3.24Å; C144-C159 HydrophobicContact CB-CB 3.66Å; C144-C159 WeakPolarHBondContact CB-SG 3.47Å; C144-C159 WeakPolarHBondContact SG-CA 3.27Å; C144-C159 WeakPolarHBondContact SG-CB 3.45Å; C144-C159 CovalentContact SG-SG 2.02Å; C144-C159 PolarHBondContact SG-SG 3.28Å
145D84.5Confident84.2Confident81 Ų8165.9 Ų65.943%0.43337%0.366SS..SBendtrans-90.9-2.9177.287-12.1000112.4R143 H147 E156R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 PolarHBondContact O-N 3.39Å; D145-H147 WeakPolarHBondContact OD1-CA 3.47Å; D145-H147 VanDerWaalsContact OD1-CB 3.23Å; D145-H147 WeakPolarHBondContact OD1-CB 3.44Å; D145-H147 PolarHBondContact OD1-N 3.26Å; D145-E156 PolarHBondContact N-OE1 3.02Å
146G79.3Confident85Confident64 Ų6463.2 Ų63.266%0.6635%0.35SS*.SBendtrans87.88.8-179.900000113.4C144 E156C144-G146 VanDerWaalsContact C-N 3.32Å; G146-E156 VanDerWaalsContact CA-OE2 3.28Å; G146-E156 WeakPolarHBondContact CA-OE2 3.02Å; G146-E156 PolarHBondContact N-OE1 2.87Å; G146-E156 PolarHBondContact N-OE2 3.05Å; G146-E156 VanDerWaalsContact N-OE2 3.08Å
147H84.8Confident84.9Confident106 Ų10664.4 Ų64.449%0.49135%0.354SS..SBendtrans-118.6129.5174.5-175.748.2000110.7D145 D149 D155 E156D145-H147 WeakPolarHBondContact OD1-CA 3.47Å; D145-H147 VanDerWaalsContact OD1-CB 3.23Å; D145-H147 WeakPolarHBondContact OD1-CB 3.44Å; D145-H147 PolarHBondContact OD1-N 3.26Å; H147-D149 VanDerWaalsContact CD2-CG 3.43Å; H147-D149 IonicContact CD2-OD1 3.8Å; H147-D149 PolarHBondContact CD2-OD1 3.22Å; H147-D149 IonicContact CD2-OD2 3.03Å; H147-D149 PolarHBondContact CD2-OD2 3.28Å; H147-D149 IonicContact NE2-OD1 3.61Å; H147-D149 PolarHBondContact O-N 3Å; H147-D155 VanDerWaalsContact O-OD2 3.05Å; H147-E156 WeakPolarHBondContact O-CG 3.45Å
148P87.4Confident84.2Confident69 Ų6966.6 Ų66.645%0.44837%0.369SS..  trans-75.496.5172.429.5-34.6000110.4S153P148-S153 WeakPolarHBondContact CB-OG 3.29Å
149D89.1Confident83.9Confident39 Ų3968.1 Ų68.121%0.20938%0.38CS..  trans-87.6-27.7175.2-75.8-67.1000112.5I138 W142 H147 D155I138-D149 HydrophobicContact CD1-CB 4.01Å; I138-D149 HydrophobicContact CG2-CB 4.35Å; W142-D149 HydrophobicContact CB-CB 4.42Å; W142-D149 WeakPolarHBondContact CB-OD2 3.2Å; W142-D149 HydrophobicContact CD2-CB 4.47Å; W142-D149 HydrophobicContact CE3-CB 3.68Å; W142-D149 VanDerWaalsContact CE3-OD1 3.3Å; W142-D149 HydrophobicContact CZ3-CB 4.33Å; W142-D149 WeakPolarHBondContact CZ3-OD1 3.39Å; H147-D149 VanDerWaalsContact CD2-CG 3.43Å; H147-D149 IonicContact CD2-OD1 3.8Å; H147-D149 PolarHBondContact CD2-OD1 3.22Å; H147-D149 IonicContact CD2-OD2 3.03Å; H147-D149 PolarHBondContact CD2-OD2 3.28Å; H147-D149 IonicContact NE2-OD1 3.61Å; H147-D149 PolarHBondContact O-N 3Å; D149-D155 WeakPolarHBondContact CA-OD2 3.23Å; D149-D155 WeakPolarHBondContact CB-OD2 3.04Å; D149-D155 PolarHBondContact N-OD2 3.15Å
150C87.7Confident83.2Confident4 Ų473 Ų733%0.02740%0.403CS..SBendtrans-83.8146.7168.6-65.90000111.6C131 D152 S153 D155C131-C150 VanDerWaalsContact CA-SG 3.59Å; C131-C150 HydrophobicContact CB-CB 3.77Å; C131-C150 WeakPolarHBondContact CB-SG 3.22Å; C131-C150 WeakPolarHBondContact SG-CB 3.21Å; C131-C150 CovalentContact SG-SG 2.04Å; C131-C150 PolarHBondContact SG-SG 3.44Å; C150-D152 WeakPolarHBondContact CB-OD1 3.11Å; C150-D152 PolarHBondContact O-N 3.29Å; C150-S153 PolarHBondContact O-N 2.83Å; C150-D155 HydrophobicContact CB-CB 4.45Å; C150-D155 WeakPolarHBondContact CB-OD1 3.43Å; C150-D155 PolarHBondContact N-OD1 3.07Å; C150-D155 PolarHBondContact N-OD2 3.19Å
151L85.9Confident82.5Confident150 Ų15072.3 Ų72.379%0.78541%0.409SS*.THydrogen-bonded Turntrans-61.9-31.5176.6178.465.4000112.2D134D134-L151 WeakPolarHBondContact OD2-CB 3.31Å
152D82.2Confident81.2Confident36 Ų3672.5 Ų72.519%0.19341%0.406CS..THydrogen-bonded Turntrans-91.32.8174.467.9-12.8000113.6M132 L133 C150 S154M132-D152 WeakPolarHBondContact CB-OD2 3.11Å; M132-D152 PolarHBondContact N-OD2 2.86Å; L133-D152 HydrophobicContact CB-CB 4.03Å; L133-D152 WeakPolarHBondContact CB-OD2 3.22Å; L133-D152 HydrophobicContact CD1-CB 3.72Å; L133-D152 HydrophobicContact CG-CB 4.08Å; L133-D152 WeakPolarHBondContact CG-OD2 3.25Å; L133-D152 PolarHBondContact N-OD2 3.02Å; C150-D152 WeakPolarHBondContact CB-OD1 3.11Å; C150-D152 PolarHBondContact O-N 3.29Å; D152-S154 VanDerWaalsContact CG-OG 3.23Å; D152-S154 PolarHBondContact O-N 2.85Å; D152-S154 VanDerWaalsContact O-N 3.08Å; D152-S154 VanDerWaalsContact OD1-CB 3.22Å; D152-S154 WeakPolarHBondContact OD1-CB 3.17Å; D152-S154 PolarHBondContact OD1-N 3.24Å; D152-S154 VanDerWaalsContact OD1-N 3.12Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; D152-S154 WeakPolarHBondContact OD2-CB 3.46Å; D152-S154 PolarHBondContact OD2-OG 3.01Å
153S84.8Confident79.8Confident48 Ų4873.3 Ų73.334%0.33642%0.422SS..  trans54.322.8-176-50.60000113.8P148 C150 D155 E156P148-S153 WeakPolarHBondContact CB-OG 3.29Å; C150-S153 PolarHBondContact O-N 2.83Å; S153-D155 VanDerWaalsContact CA-OD1 3.28Å; S153-D155 WeakPolarHBondContact CA-OD1 2.95Å; S153-D155 PolarHBondContact O-N 3.09Å; S153-E156 PolarHBondContact O-N 2.57Å
154S84.1Confident78.4Confident8 Ų876 Ų766%0.05644%0.44CS..G310 helixtrans-64.5-21.2-177.854.20000113.9M132 D152 E156 L157M132-S154 VanDerWaalsContact CG-CB 3.49Å; M132-S154 PolarHBondContact N-OG 3.02Å; M132-S154 VanDerWaalsContact N-OG 3.07Å; D152-S154 VanDerWaalsContact CG-OG 3.23Å; D152-S154 PolarHBondContact O-N 2.85Å; D152-S154 VanDerWaalsContact O-N 3.08Å; D152-S154 VanDerWaalsContact OD1-CB 3.22Å; D152-S154 WeakPolarHBondContact OD1-CB 3.17Å; D152-S154 PolarHBondContact OD1-N 3.24Å; D152-S154 VanDerWaalsContact OD1-N 3.12Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; D152-S154 WeakPolarHBondContact OD2-CB 3.46Å; D152-S154 PolarHBondContact OD2-OG 3.01Å; S154-E156 PolarHBondContact O-N 3.45Å; S154-L157 PolarHBondContact O-N 3.11Å
155D85.6Confident77Confident1 Ų178.3 Ų78.31%0.00545%0.448CS..G310 helixtrans-66.9-21.3172.856.7-51000114I138 C144 H147 D149 C150 S153I138-D155 HydrophobicContact CD1-CB 3.44Å; I138-D155 VanDerWaalsContact CD1-CB 3.44Å; C144-D155 PolarHBondContact N-O 2.99Å; H147-D155 VanDerWaalsContact O-OD2 3.05Å; D149-D155 WeakPolarHBondContact CA-OD2 3.23Å; D149-D155 WeakPolarHBondContact CB-OD2 3.04Å; D149-D155 PolarHBondContact N-OD2 3.15Å; C150-D155 HydrophobicContact CB-CB 4.45Å; C150-D155 WeakPolarHBondContact CB-OD1 3.43Å; C150-D155 PolarHBondContact N-OD1 3.07Å; C150-D155 PolarHBondContact N-OD2 3.19Å; S153-D155 VanDerWaalsContact CA-OD1 3.28Å; S153-D155 WeakPolarHBondContact CA-OD1 2.95Å; S153-D155 PolarHBondContact O-N 3.09Å
156E91.1Very high75.4Confident50 Ų5081.8 Ų81.823%0.23447%0.466CS..G310 helixtrans-108.44.1-179.8-66-62134.900113.1C144 D145 G146 H147 S153 S154 C159C144-E156 VanDerWaalsContact CA-OE1 3.23Å; C144-E156 WeakPolarHBondContact CA-OE1 3.35Å; C144-E156 PolarHBondContact N-OE1 3.37Å; D145-E156 PolarHBondContact N-OE1 3.02Å; G146-E156 VanDerWaalsContact CA-OE2 3.28Å; G146-E156 WeakPolarHBondContact CA-OE2 3.02Å; G146-E156 PolarHBondContact N-OE1 2.87Å; G146-E156 PolarHBondContact N-OE2 3.05Å; G146-E156 VanDerWaalsContact N-OE2 3.08Å; H147-E156 WeakPolarHBondContact O-CG 3.45Å; S153-E156 PolarHBondContact O-N 2.57Å; S154-E156 PolarHBondContact O-N 3.45Å; E156-C159 VanDerWaalsContact C-SG 3.55Å; E156-C159 PolarHBondContact O-SG 2.96Å; E156-C159 VanDerWaalsContact O-SG 3.4Å
157L82.5Confident73.9Confident98 Ų9887.9 Ų87.951%0.51348%0.475SS..THydrogen-bonded Turntrans-90.9144.8176.8-61179.7000111.3S154 C159S154-L157 PolarHBondContact O-N 3.11Å; L157-C159 VanDerWaalsContact C-N 3.29Å; L157-C159 PolarHBondContact O-N 3.06Å
158S72.3Confident72.6Confident93 Ų9388.6 Ų88.665%0.6548%0.481SS*.THydrogen-bonded Turntrans58.339.6179.2-164.80000113.5D160S158-D160 PolarHBondContact O-N 2.98Å
159C77.5Confident70.6Confident37 Ų3793.4 Ų93.425%0.2550%0.495CS..  trans-8391.2167.2-55.10000107.9C144 E156 L157 T161C144-C159 WeakPolarHBondContact CA-SG 3.24Å; C144-C159 HydrophobicContact CB-CB 3.66Å; C144-C159 WeakPolarHBondContact CB-SG 3.47Å; C144-C159 WeakPolarHBondContact SG-CA 3.27Å; C144-C159 WeakPolarHBondContact SG-CB 3.45Å; C144-C159 CovalentContact SG-SG 2.02Å; C144-C159 PolarHBondContact SG-SG 3.28Å; E156-C159 VanDerWaalsContact C-SG 3.55Å; E156-C159 PolarHBondContact O-SG 2.96Å; E156-C159 VanDerWaalsContact O-SG 3.4Å; L157-C159 VanDerWaalsContact C-N 3.29Å; L157-C159 PolarHBondContact O-N 3.06Å; C159-T161 VanDerWaalsContact C-N 3.34Å; C159-T161 PolarHBondContact O-N 2.8Å
160D73.3Confident68.7Low147 Ų147100.2 Ų100.279%0.78653%0.526SS*.  trans-62.2102.3170-68.7-40.4000107.5S158 D162S158-D160 PolarHBondContact O-N 2.98Å; D160-D162 PolarHBondContact O-N 3.04Å
161T63.7Low67.2Low116 Ų116108.7 Ų108.771%0.71257%0.565SS**  trans-74.173176.258.30000108.7C159 T163C159-T161 VanDerWaalsContact C-N 3.34Å; C159-T161 PolarHBondContact O-N 2.8Å; T161-T163 PolarHBondContact O-N 2.95Å
162D51.8Low65.3Low110 Ų110110 Ų11059%0.58857%0.567SS**  trans-79.236.5168.8-120.3-5.1000111.1D160 E164 I165D160-D162 PolarHBondContact O-N 3.04Å; D162-E164 PolarHBondContact O-N 3.44Å; D162-I165 PolarHBondContact O-N 3.04Å
163T58.6Low63.7Low122 Ų122116.8 Ų116.875%0.74860%0.603SS**THydrogen-bonded Turntrans-75.923.3175.834.50000114.1T161T161-T163 PolarHBondContact O-N 2.95Å
164E54.2Low61.8Low169 Ų169117.8 Ų117.879%0.7961%0.614SS**THydrogen-bonded Turntrans-134.69.6167.2-128.4173.4-167.700115.7D162D162-E164 PolarHBondContact O-N 3.44Å
165I56Low59.8Low97 Ų97123.6 Ų123.650%0.49765%0.65SS.*THydrogen-bonded Turntrans-110.8-12.9172.7-59.4-163.1000113.8D162 K167D162-I165 PolarHBondContact O-N 3.04Å; I165-K167 PolarHBondContact O-N 2.86Å
166D51.9Low57.6Low153 Ų153129.4 Ų129.482%0.81869%0.685SS**THydrogen-bonded Turntrans-88.94.2176.9-84.2-13.6000115.5
167K47.8Very low55Low193 Ų193132.4 Ų132.484%0.83971%0.708SS**THydrogen-bonded Turntrans-100.11.4172-72-175.3-176.9171.40114.9I165I165-K167 PolarHBondContact O-N 2.86Å
168I57.4Low53.3Low120 Ų120139.4 Ų139.462%0.61573%0.727SS**SBendtrans-104.6-8.3-176.3-63.3177.7000113.4
169F45Very low51.8Low171 Ų171141.6 Ų141.675%0.7573%0.73SS**SBendtrans-110.438.5-177-74.1-75.7000116.2
170Q49.7Very low50Low181 Ų181145.2 Ų145.285%0.84676%0.756SS**SBendtrans-133.9118.1149.9-67.8-155.213.200109.5
171E56.8Low47.8Very low183 Ų183143.8 Ų143.886%0.85575%0.752SS**SBendtrans80.193.5-168.4-52.3179.3178.200111.2
172E45.9Very low46.2Very low178 Ų178144.3 Ų144.383%0.83276%0.756SS**  -151.2109.553.5-64.1-173.7157.600111.2A174E172-A174 PolarHBondContact O-N 2.73Å
173N47.3Very low45.6Very low177 Ų177147.5 Ų147.595%0.94777%0.769SS**  trans-74.780.5158.1-166.314.7000108.1
174A44.7Very low44.3Very low69 Ų69151.3 Ų151.357%0.5778%0.779SS**  trans-153.193.1164.400000111.2E172E172-A174 PolarHBondContact O-N 2.73Å
175T43.8Very low43.2Very low131 Ų131149.8 Ų149.880%0.80478%0.776SS**  trans55107.6147-38.70000116.7
176T39.3Very low42.2Very low122 Ų122151.4 Ų151.475%0.74878%0.781SS**  173.7112.9120.4-76.10000110.3
177T34.7Very low41.4Very low114 Ų114149.6 Ų149.670%0.69978%0.776SS**  trans45.2106.6138-48.60000118.4I179T177-I179 PolarHBondContact O-N 3.26Å
178R48Very low40.6Very low245 Ų245144.8 Ų144.893%0.92577%0.767SS**  trans-34.7122.6153.5-73176.8165.9120.1-2111.5
179I40.5Very low39.4Very low139 Ų139147.2 Ų147.271%0.71377%0.773SS**  trans-126.894.7153.7-57.5-179.5000107.6T177 T181T177-I179 PolarHBondContact O-N 3.26Å; I179-T181 HydrophobicContact CG2-CG2 4.22Å; I179-T181 WeakPolarHBondContact CG2-OG1 3.48Å
180S38.9Very low39.2Very low113 Ų113148.7 Ų148.779%0.7977%0.774SS**  trans-80.9108.7152.7165.70000106.4
181T28.4Very low38.5Very low116 Ų116147.9 Ų147.971%0.71278%0.775SS**  trans-145.5122.9158.846.10000110.5I179I179-T181 HydrophobicContact CG2-CG2 4.22Å; I179-T181 WeakPolarHBondContact CG2-OG1 3.48Å
182T28.5Very low37.6Very low128 Ų128145 Ų14579%0.78577%0.77SS**  trans-53.4146.7167.844.10000114.1
183M39.4Very low36.9Very low177 Ų177142.5 Ų142.587%0.87277%0.766SS**  trans18.7120.2148.5-58.1-66.6-129.300118.5
184E32.6Very low36.3Very low202 Ų202143.1 Ų143.194%0.94476%0.761SS**  trans-150.6144.5130-69.2-156.5148.900111.1
185N31.5Very low35.6Very low136 Ų136145.1 Ų145.173%0.72777%0.766SS**  trans-77.4167.1178.5-176.630000111.8
186E34.2Very low35.2Very low132 Ų132144.3 Ų144.362%0.61777%0.766SS**  trans92.6103162.7-66.2-63.7138.400119.9
187T34.4Very low34.9Very low115 Ų115142.6 Ų142.671%0.70677%0.765SS**  58.2129.312653.70000122
188S32.6Very low35.2Very low92 Ų92140.8 Ų140.864%0.64377%0.768SS**  trans85.7104.3152.2-153.40000117
189F30.4Very low34.4Very low170 Ų170136.5 Ų136.575%0.74676%0.764SS**  173.8137.796.3-109.6-75.5000112.8
190R41.4Very low34.4Very low203 Ų203135.5 Ų135.577%0.76677%0.769SS**  trans83.497152-58.5176.8-166.9-154.5-0.1118.3V192R190-V192 HydrophobicContact CB-CG2 4.5Å; R190-V192 PolarHBondContact O-N 2.96Å; R190-V192 VanDerWaalsContact O-N 3.17Å
191N36Very low34.2Very low164 Ų164135.9 Ų135.988%0.87777%0.772SS**  trans-39.1114.6139.9-76.5-10.4000110.4
192V36.2Very low34.9Very low123 Ų123141.4 Ų141.475%0.74578%0.78SS**  trans-118.7105.2161.1-179.10000107R190 F194R190-V192 HydrophobicContact CB-CG2 4.5Å; R190-V192 PolarHBondContact O-N 2.96Å; R190-V192 VanDerWaalsContact O-N 3.17Å; V192-F194 PolarHBondContact O-N 2.72Å; V192-F194 VanDerWaalsContact O-N 3.17Å
193T32Very low35.3Very low124 Ų124142.3 Ų142.376%0.76178%0.779SS**  trans-58.4108.6167.8-42.90000108.4T195T193-T195 PolarHBondContact O-N 2.7Å
194F33.9Very low35.7Very low190 Ų190138.9 Ų138.983%0.83377%0.771SS**  trans-84.597.2172.5-158.6-98000109.3V192 S196V192-F194 PolarHBondContact O-N 2.72Å; V192-F194 VanDerWaalsContact O-N 3.17Å; F194-S196 PolarHBondContact O-N 2.96Å
195T31.2Very low36.4Very low111 Ų111135 Ų13568%0.68177%0.766SS**  trans-64.1116.3163.143.30000108.8T193 A197T193-T195 PolarHBondContact O-N 2.7Å; T195-A197 PolarHBondContact O-N 2.82Å
196S35.8Very low37.1Very low114 Ų114132 Ų13280%0.79776%0.759SS**  trans-64.7100.5168.7174.40000109.2F194F194-S196 PolarHBondContact O-N 2.96Å
197A33.1Very low37.9Very low87 Ų87136 Ų13672%0.71977%0.771SS**  trans-94.5121.8158.400000106.8T195T195-A197 PolarHBondContact O-N 2.82Å
198G41.3Very low38.6Very low75 Ų75133.9 Ų133.977%0.77377%0.771SS**  trans-61.8135.7178.500000111.2
199D29.6Very low39.6Very low155 Ų155135.1 Ų135.183%0.82978%0.775SS**  trans-117121.6158.3-161.94.3000108.9S201D199-S201 PolarHBondContact O-N 3.31Å
200S40.9Very low40.5Very low119 Ų119133.9 Ų133.983%0.83277%0.774SS**  trans-8992-179.6-71.90000108.2
201S35.9Very low40.8Very low120 Ų120127.9 Ų127.984%0.83977%0.768SS**  trans-98.3117.3161.4-163.50000110.3D199D199-S201 PolarHBondContact O-N 3.31Å
202R42.6Very low41.3Very low233 Ų233123.3 Ų123.388%0.87975%0.753SS**  trans-85.2116.7-161.9-173.5-178.7-162.8162.82.7109.5
203N36.6Very low41.9Very low146 Ų146120.8 Ų120.878%0.78175%0.745SS**  trans-129.8117.2166-132.5-10.6000110.6S205N203-S205 PolarHBondContact O-N 3.08Å
204P47.1Very low42.7Very low106 Ų106117.4 Ų117.469%0.68874%0.735SS**THydrogen-bonded Turntrans-90.285.4-169.134.4-31.4000111.2
205S48.1Very low43.6Very low121 Ų121112.3 Ų112.385%0.84672%0.719SS**THydrogen-bonded Turntrans-166.44.9161-90.60000116.9N203N203-S205 PolarHBondContact O-N 3.08Å
206A46.6Very low44.6Very low71 Ų71112.6 Ų112.659%0.58772%0.716SS**  trans-106.621.5-17300000116
207Y49.5Very low45.8Very low218 Ų218110.8 Ų110.886%0.85570%0.703SS**SBendtrans-89.75.8179.6-67.5-77.5000114.7
208G49.8Very low47.1Very low69 Ų69109.2 Ų109.271%0.71169%0.69SS**SBendtrans-92.5-18.5-174.500000116.6
209V53.5Low48.4Very low119 Ų119110.6 Ų110.672%0.72168%0.679SS**SBendtrans-126.2-19.9-165.6-1620000114.2A211 A212V209-A211 VanDerWaalsContact C-N 3.27Å; V209-A211 PolarHBondContact O-N 3.33Å; V209-A212 PolarHBondContact O-N 2.91Å
210I50.4Low50.6Low143 Ų143108.3 Ų108.373%0.73367%0.666SS**Hα-helixtrans-80-9-179.2-54.7176.6000112.4
211A46.1Very low52.5Low78 Ų78107.3 Ų107.365%0.64565%0.654SS**Hα-helixtrans-81.4-12.7173.400000114.3V209 V215V209-A211 VanDerWaalsContact C-N 3.27Å; V209-A211 PolarHBondContact O-N 3.33Å; A211-V215 WeakPolarHBondContact O-CG2 3.34Å
212A48.1Very low54.7Low67 Ų67104.8 Ų104.855%0.55464%0.637SS**Hα-helixtrans-91.4-32.7-176.800000113.7V209 V215 L216V209-A212 PolarHBondContact O-N 2.91Å; A212-V215 PolarHBondContact O-N 3.01Å; A212-L216 PolarHBondContact O-N 3.43Å
213A48.6Very low56.5Low70 Ų7095.7 Ų95.758%0.57961%0.612SS**Hα-helixtrans-75.1-28.8-176.600000113.8S217A213-S217 PolarHBondContact O-OG 3.36Å
214G47.6Very low58.8Low53 Ų5392.4 Ų92.455%0.54660%0.597SS.*Hα-helixtrans-74.3-28.2174.900000113.8
215V53.8Low60.6Low84 Ų8492.2 Ų92.251%0.50959%0.59SS.*Hα-helixtrans-84.8-33.7-176.5-179.50000111.4A211 A212 S217 A218 I219A211-V215 WeakPolarHBondContact O-CG2 3.34Å; A212-V215 PolarHBondContact O-N 3.01Å; V215-S217 PolarHBondContact O-N 3.24Å; V215-A218 PolarHBondContact O-N 2.84Å; V215-I219 HydrophobicContact CG1-CD1 3.79Å; V215-I219 HydrophobicContact CG1-CG1 4.44Å; V215-I219 WeakPolarHBondContact O-CD1 3.15Å; V215-I219 VanDerWaalsContact O-CG1 3.26Å; V215-I219 WeakPolarHBondContact O-CG1 3.01Å; V215-I219 PolarHBondContact O-N 3.05Å
216L52.8Low62.3Low117 Ų11791.5 Ų91.561%0.61358%0.576SS**Hα-helixtrans-66.1-39.2177.6-149.875.8000112.1A212 I219 L220A212-L216 PolarHBondContact O-N 3.43Å; L216-I219 PolarHBondContact O-N 2.62Å; L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 2.71Å; L216-L220 VanDerWaalsContact O-N 3.16Å
217S59.3Low64.1Low75 Ų7592.9 Ų92.952%0.52457%0.572SS.*Hα-helixtrans-66-39.7178.4-58.20000112.7A213 V215 V221A213-S217 PolarHBondContact O-OG 3.36Å; V215-S217 PolarHBondContact O-N 3.24Å; S217-V221 VanDerWaalsContact O-CG2 3.28Å; S217-V221 WeakPolarHBondContact O-CG2 3.02Å; S217-V221 PolarHBondContact O-N 3.18Å; S217-V221 VanDerWaalsContact O-N 3.16Å
218A60.4Low65.5Low54 Ų5486.7 Ų86.745%0.44655%0.554SS.*Hα-helixtrans-71.2-34.7178.500000113V215 S222V215-A218 PolarHBondContact O-N 2.84Å; A218-S222 VanDerWaalsContact O-CB 3.3Å; A218-S222 WeakPolarHBondContact O-CB 3.46Å; A218-S222 PolarHBondContact O-N 3.41Å; A218-S222 PolarHBondContact O-OG 2.02Å
219I69.2Low66.9Low104 Ų10488 Ų8853%0.53354%0.544SS..Hα-helixtrans-68.3-42.6177.4-67.3167.7000110.5V215 L216 S222 A223V215-I219 HydrophobicContact CG1-CD1 3.79Å; V215-I219 HydrophobicContact CG1-CG1 4.44Å; V215-I219 WeakPolarHBondContact O-CD1 3.15Å; V215-I219 VanDerWaalsContact O-CG1 3.26Å; V215-I219 WeakPolarHBondContact O-CG1 3.01Å; V215-I219 PolarHBondContact O-N 3.05Å; L216-I219 PolarHBondContact O-N 2.62Å; I219-S222 PolarHBondContact O-N 3.29Å; I219-A223 VanDerWaalsContact O-CB 3.31Å; I219-A223 WeakPolarHBondContact O-CB 3.47Å; I219-A223 PolarHBondContact O-N 3.3Å
220L75.9Confident68.2Low108 Ų10891.2 Ų91.257%0.56554%0.543SS*.Hα-helixtrans-65.7-42178.1-69.4171.5000112.1L216 A223 T224L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 2.71Å; L216-L220 VanDerWaalsContact O-N 3.16Å; L220-A223 PolarHBondContact O-N 3.34Å; L220-T224 WeakPolarHBondContact O-CB 3.27Å; L220-T224 VanDerWaalsContact O-CG2 3.27Å; L220-T224 WeakPolarHBondContact O-CG2 2.97Å; L220-T224 PolarHBondContact O-N 2.77Å; L220-T224 PolarHBondContact O-OG1 2.03Å
221V80.3Confident69.3Low97 Ų9787.1 Ų87.159%0.58852%0.522SS*.Hα-helixtrans-65.6-39.1175.31750000111.6S217 T224 L225S217-V221 VanDerWaalsContact O-CG2 3.28Å; S217-V221 WeakPolarHBondContact O-CG2 3.02Å; S217-V221 PolarHBondContact O-N 3.18Å; S217-V221 VanDerWaalsContact O-N 3.16Å; V221-T224 VanDerWaalsContact CA-OG1 3.32Å; V221-T224 WeakPolarHBondContact CA-OG1 3.41Å; V221-T224 PolarHBondContact O-OG1 3.38Å; V221-L225 WeakPolarHBondContact O-CB 3.44Å; V221-L225 PolarHBondContact O-N 2.84Å
222S81.4Confident70.6Confident67 Ų6788.6 Ų88.647%0.46951%0.511SS..Hα-helixtrans-68.5-41.5177.5-59.10000112.1A218 I219 L226A218-S222 VanDerWaalsContact O-CB 3.3Å; A218-S222 WeakPolarHBondContact O-CB 3.46Å; A218-S222 PolarHBondContact O-N 3.41Å; A218-S222 PolarHBondContact O-OG 2.02Å; I219-S222 PolarHBondContact O-N 3.29Å; S222-L226 WeakPolarHBondContact O-CG 3.17Å; S222-L226 PolarHBondContact O-N 3.2Å
223A81.6Confident71.7Confident43 Ų4388.8 Ų88.836%0.35552%0.52SS..Hα-helixtrans-66.1-44.6177.900000111.7I219 L220 L226 I227I219-A223 VanDerWaalsContact O-CB 3.31Å; I219-A223 WeakPolarHBondContact O-CB 3.47Å; I219-A223 PolarHBondContact O-N 3.3Å; L220-A223 PolarHBondContact O-N 3.34Å; A223-L226 PolarHBondContact O-N 2.84Å; A223-I227 WeakPolarHBondContact O-CD1 3.3Å; A223-I227 VanDerWaalsContact O-CG1 3.24Å; A223-I227 WeakPolarHBondContact O-CG1 3.46Å; A223-I227 PolarHBondContact O-N 2.88Å
224T84.9Confident73Confident76 Ų7691.9 Ų91.947%0.46652%0.522SS..Hα-helixtrans-62.7-42.4176.548.60000111.9L220 V221 L226 I227 L228L220-T224 WeakPolarHBondContact O-CB 3.27Å; L220-T224 VanDerWaalsContact O-CG2 3.27Å; L220-T224 WeakPolarHBondContact O-CG2 2.97Å; L220-T224 PolarHBondContact O-N 2.77Å; L220-T224 PolarHBondContact O-OG1 2.03Å; V221-T224 VanDerWaalsContact CA-OG1 3.32Å; V221-T224 WeakPolarHBondContact CA-OG1 3.41Å; V221-T224 PolarHBondContact O-OG1 3.38Å; T224-L226 PolarHBondContact O-N 3.11Å; T224-I227 PolarHBondContact O-N 3.15Å; T224-L228 VanDerWaalsContact O-CG 3.32Å; T224-L228 WeakPolarHBondContact O-CG 3.47Å; T224-L228 PolarHBondContact O-N 2.02Å
225L84Confident74.1Confident102 Ų10292.4 Ų92.453%0.53453%0.528SS..Hα-helixtrans-63-41.6175.8-173.565.6000112.6V221 L228 L229V221-L225 WeakPolarHBondContact O-CB 3.44Å; V221-L225 PolarHBondContact O-N 2.84Å; L225-L228 PolarHBondContact O-N 3.17Å; L225-L229 HydrophobicContact CG-CD1 4.36Å; L225-L229 WeakPolarHBondContact O-CG 3.3Å; L225-L229 PolarHBondContact O-N 2.84Å
226L84.2Confident74.8Confident107 Ų10797.1 Ų97.156%0.5654%0.537SS*.Hα-helixtrans-65.1-40.1176.9-74.2172.3000112.1S222 A223 T224 L229 R230S222-L226 WeakPolarHBondContact O-CG 3.17Å; S222-L226 PolarHBondContact O-N 3.2Å; A223-L226 PolarHBondContact O-N 2.84Å; T224-L226 PolarHBondContact O-N 3.11Å; L226-L229 PolarHBondContact O-N 3.01Å; L226-R230 VanDerWaalsContact O-CG 3.29Å; L226-R230 WeakPolarHBondContact O-CG 3.13Å; L226-R230 PolarHBondContact O-N 2.81Å
227I83.9Confident75.3Confident99 Ų9994.7 Ų94.751%0.50853%0.525SS..Hα-helixtrans-62.4-44.7175.4-68.3163.7000110.2A223 T224 L229 R230 L231A223-I227 WeakPolarHBondContact O-CD1 3.3Å; A223-I227 VanDerWaalsContact O-CG1 3.24Å; A223-I227 WeakPolarHBondContact O-CG1 3.46Å; A223-I227 PolarHBondContact O-N 2.88Å; T224-I227 PolarHBondContact O-N 3.15Å; I227-L229 PolarHBondContact O-N 3.38Å; I227-R230 PolarHBondContact O-N 3.14Å; I227-L231 HydrophobicContact CG2-CD1 3.88Å; I227-L231 HydrophobicContact CG2-CG 4.41Å; I227-L231 WeakPolarHBondContact O-CG 3.45Å; I227-L231 PolarHBondContact O-N 2.99Å
228L79Confident75.8Confident89 Ų8996 Ų9647%0.46653%0.531SS..Hα-helixtrans-62.6-40177.1-70.2173.4000112.7T224 L225 L231 R232 L237T224-L228 VanDerWaalsContact O-CG 3.32Å; T224-L228 WeakPolarHBondContact O-CG 3.47Å; T224-L228 PolarHBondContact O-N 2.02Å; L225-L228 PolarHBondContact O-N 3.17Å; L228-L231 PolarHBondContact O-N 3.18Å; L228-R232 WeakPolarHBondContact O-CB 3.43Å; L228-R232 PolarHBondContact O-N 3.37Å; L228-L237 HydrophobicContact CD2-CD2 4.41Å
229L78.8Confident75.9Confident96 Ų9698.3 Ų98.350%0.50354%0.542SS..Hα-helixtrans-66.4-37.6175.8-72.4170.6000112.3L225 L226 I227 R232 G233L225-L229 HydrophobicContact CG-CD1 4.36Å; L225-L229 WeakPolarHBondContact O-CG 3.3Å; L225-L229 PolarHBondContact O-N 2.84Å; L226-L229 PolarHBondContact O-N 3.01Å; I227-L229 PolarHBondContact O-N 3.38Å; L229-R232 PolarHBondContact O-N 3.02Å; L229-G233 PolarHBondContact O-N 3.34Å
230R81.4Confident75.4Confident187 Ų18797.5 Ų97.571%0.70654%0.544SS*.Hα-helixtrans-67.2-45175.5-72.2-64.1-142.6-1090.9111.9L226 I227 R232 G233 Q234L226-R230 VanDerWaalsContact O-CG 3.29Å; L226-R230 WeakPolarHBondContact O-CG 3.13Å; L226-R230 PolarHBondContact O-N 2.81Å; I227-R230 PolarHBondContact O-N 3.14Å; R230-R232 VanDerWaalsContact C-N 3.28Å; R230-R232 PolarHBondContact O-N 2.8Å; R230-G233 PolarHBondContact O-N 3.03Å; R230-G233 VanDerWaalsContact O-N 3.13Å; R230-Q234 WeakPolarHBondContact O-CG 3.35Å; R230-Q234 PolarHBondContact O-N 3.37Å
231L74.8Confident74.3Confident56 Ų5695.9 Ų95.929%0.29355%0.553SS.*Hα-helixtrans-62.5-35.8176.1-71169.6000111.9I227 L228 Q234 G235 Y236 L237I227-L231 HydrophobicContact CG2-CD1 3.88Å; I227-L231 HydrophobicContact CG2-CG 4.41Å; I227-L231 WeakPolarHBondContact O-CG 3.45Å; I227-L231 PolarHBondContact O-N 2.99Å; L228-L231 PolarHBondContact O-N 3.18Å; L231-Q234 PolarHBondContact O-N 3.06Å; L231-G235 PolarHBondContact O-N 2.73Å; L231-Y236 PolarHBondContact O-N 3.47Å; L231-L237 HydrophobicContact CB-CD1 3.64Å; L231-L237 HydrophobicContact CD1-CD1 4.12Å; L231-L237 HydrophobicContact CG-CD1 4.49Å
232R73.5Confident72.6Confident109 Ų10998.3 Ų98.341%0.41156%0.562SS.*Hα-helixtrans-66-42.9171.4-178.9176-79.3162.64112.2L228 L229 R230 Q234 G235 P240L228-R232 WeakPolarHBondContact O-CB 3.43Å; L228-R232 PolarHBondContact O-N 3.37Å; L229-R232 PolarHBondContact O-N 3.02Å; R230-R232 VanDerWaalsContact C-N 3.28Å; R230-R232 PolarHBondContact O-N 2.8Å; R232-Q234 PolarHBondContact O-N 2.79Å; R232-G235 PolarHBondContact O-N 3.4Å; R232-G235 VanDerWaalsContact O-N 3.08Å; R232-P240 VanDerWaalsContact CZ-CD 3.43Å
233G70.5Confident71.2Confident72 Ų72103.6 Ų103.674%0.74258%0.584SS**Hα-helixtrans-63.2-26.1175.700000113.7L229 R230L229-G233 PolarHBondContact O-N 3.34Å; R230-G233 PolarHBondContact O-N 3.03Å; R230-G233 VanDerWaalsContact O-N 3.13Å
234Q76.4Confident69.5Low135 Ų135106.3 Ų106.363%0.63160%0.595SS**THydrogen-bonded Turntrans-90-0.2175.5-68.4174.9-38.600113.6R230 L231 R232 Y236R230-Q234 WeakPolarHBondContact O-CG 3.35Å; R230-Q234 PolarHBondContact O-N 3.37Å; L231-Q234 PolarHBondContact O-N 3.06Å; R232-Q234 PolarHBondContact O-N 2.79Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 HydrophobicContact CB-CD2 3.67Å; Q234-Y236 HydrophobicContact CB-CE2 4.06Å; Q234-Y236 PolarHBondContact O-N 3.46Å
235G70.3Confident67.8Low64 Ų64107 Ų10766%0.6661%0.609SS**THydrogen-bonded Turntrans77.110.5177.300000115.5L231 R232L231-G235 PolarHBondContact O-N 2.73Å; R232-G235 PolarHBondContact O-N 3.4Å; R232-G235 VanDerWaalsContact O-N 3.08Å
236Y68.8Low65.8Low182 Ų182108.7 Ų108.771%0.71462%0.623SS**  trans-79.6-17.4179.8-78.5-84000113.8L231 Q234L231-Y236 PolarHBondContact O-N 3.47Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 HydrophobicContact CB-CD2 3.67Å; Q234-Y236 HydrophobicContact CB-CE2 4.06Å; Q234-Y236 PolarHBondContact O-N 3.46Å
237L61.6Low63.7Low67 Ų67112.2 Ų112.235%0.35163%0.634SS.*SBendtrans-116.9135.5173.1-91.496000111.3L228 L231L228-L237 HydrophobicContact CD2-CD2 4.41Å; L231-L237 HydrophobicContact CB-CD1 3.64Å; L231-L237 HydrophobicContact CD1-CD1 4.12Å; L231-L237 HydrophobicContact CG-CD1 4.49Å
238P69.8Low61.9Low101 Ų101115.1 Ų115.166%0.65665%0.646SS**  trans-60.8150.7170.226.2-32.2000110.6
239P62.8Low59.9Low103 Ų103115.5 Ų115.567%0.66966%0.655SS**  trans-56.8148.317324.9-32.3000109.4G241P239-G241 PolarHBondContact O-N 3.24Å
240P59.4Low58Low88 Ų88117.7 Ų117.757%0.57167%0.667SS**  trans-64.5115.3176.328.4-18.5000105.3R232 L242R232-P240 VanDerWaalsContact CZ-CD 3.43Å; P240-L242 PolarHBondContact O-N 3.39Å
241G52.3Low56.1Low73 Ų73115.6 Ų115.675%0.75367%0.669SS**  trans-56.5100-175.200000110.1P239 L243P239-G241 PolarHBondContact O-N 3.24Å; G241-L243 PolarHBondContact O-N 2.86Å
242L44.9Very low54.3Low148 Ų148121.5 Ų121.578%0.77570%0.7SS**  trans-59.9113.1153.1-16779.2000104.2P240 V244P240-L242 PolarHBondContact O-N 3.39Å; L242-V244 HydrophobicContact CB-CG2 4.23Å; L242-V244 HydrophobicContact CD2-CG2 3.65Å; L242-V244 HydrophobicContact CG-CG2 4.05Å; L242-V244 PolarHBondContact O-N 2.96Å
243L51.9Low52.5Low179 Ų179122 Ų12294%0.93772%0.72SS**  trans-57.585.6166.2-83.3169.6000107.8G241 A245G241-L243 PolarHBondContact O-N 2.86Å; L243-A245 PolarHBondContact O-N 3.17Å
244V46.7Very low51.5Low99 Ų99127.6 Ų127.660%0.673%0.727SS**  trans-85.9102.2168.6177.40000105.6L242 V246L242-V244 HydrophobicContact CB-CG2 4.23Å; L242-V244 HydrophobicContact CD2-CG2 3.65Å; L242-V244 HydrophobicContact CG-CG2 4.05Å; L242-V244 PolarHBondContact O-N 2.96Å; V244-V246 HydrophobicContact CG1-CG2 4.5Å; V244-V246 PolarHBondContact O-N 2.98Å
245A48Very low49.9Very low91 Ų91132.7 Ų132.775%0.75274%0.74SS**  trans-49.7105.7159.900000109.1L243 K247L243-A245 PolarHBondContact O-N 3.17Å; A245-K247 VanDerWaalsContact C-N 3.34Å; A245-K247 PolarHBondContact O-N 3.32Å
246V43.7Very low48.5Very low137 Ų137139.1 Ų139.183%0.8375%0.75SS**  trans-88.190.4158.3-179.80000106.3V244V244-V246 HydrophobicContact CG1-CG2 4.5Å; V244-V246 PolarHBondContact O-N 2.98Å
247K38.5Very low47.5Very low181 Ų181135.5 Ų135.579%0.78775%0.747SS**  trans-68.2121.8167.4173.5172176.6-177.50109A245A245-K247 VanDerWaalsContact C-N 3.34Å; A245-K247 PolarHBondContact O-N 3.32Å
248E46.1Very low46.6Very low161 Ų161137.7 Ų137.775%0.75277%0.768SS**  trans61.2147.1146.9-76.4-68.715400120.8
249S38.8Very low45.3Very low96 Ų96140.2 Ų140.267%0.67178%0.775SS**  trans90.6119.1164-49.20000115.3
250L37.5Very low44.5Very low143 Ų143146.5 Ų146.575%0.74980%0.801SS**  cis-164.1139.615.8-88139.5000109.3
251L41.8Very low43.7Very low143 Ų143149.5 Ų149.575%0.74981%0.812SS**  50.3113.9129.7-49.3-178000120.1
252L36.8Very low43.3Very low180 Ų180153.5 Ų153.594%0.94282%0.816SS**  178.7104.8112.7-108.1137.6000109.8
253S36.8Very low43.2Very low118 Ų118153.8 Ų153.883%0.82582%0.818SS**  trans171.466.7132.3-175.70000111.2
254E49Very low42.7Very low191 Ų191152.3 Ų152.389%0.89381%0.811SS**  trans-126.5101.7149.5-82.7-159.9127.500108.4
255R42Very low42.4Very low242 Ų242155.6 Ų155.691%0.91382%0.824SS**  trans173.5104.6135.9-99.8178.9-163.3176.16.3111
256K41.9Very low42Very low198 Ų198159.9 Ų159.986%0.86183%0.829SS**  trans-143.184.8136.4-139172-179.7-175.70105.3
257T47.8Very low41.9Very low107 Ų107161.6 Ų161.666%0.65683%0.829SS**  5094.3111.256.90000110.8
258S42.6Very low42.2Very low113 Ų113160.1 Ų160.179%0.7983%0.832SS**  33.696.887.3-163.90000112.8
259L43.1Very low41.9Very low154 Ų154160 Ų16081%0.80684%0.838SS**  trans179.6126.2140-107.2147.4000111.4
260I44.6Very low42.2Very low235 Ų235165.8 Ų165.8100%1.20585%0.854SS**  trans89.80164.4-50.6163.2000115.7

Retrieved 260 of 260 residues in 51.9 ms (Link to these results)