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CD99 antigen-like protein 2

Plays a role in a late step of leukocyte extravasation helping cells to overcome the endothelial basement membrane. Acts at the same site as, but independently of, PECAM1. Homophilic adhesion molecule, but these interactions may not be required for cell aggregation.

AlphaFold DB (Q8TCZ2), UniProt , Accession A0A024RC16, Species HUMAN (Homo sapiens, Human), Gene CD99L2, Length 262 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
1M57.6Low73.3Confident220 Ų220124 Ų124100%1.08466%0.655SS**  0-16.70-71.2180-155.200114.8
2V58.1Low74.3Confident124 Ų124122 Ų12275%0.75264%0.644SS**Hα-helixtrans-75.8-35.6-176.7-177.60000113.1W4 R5 S6V2-W4 VanDerWaalsContact C-N 3.32Å; V2-W4 PolarHBondContact O-N 3.29Å; V2-R5 PolarHBondContact O-N 3.19Å; V2-S6 PolarHBondContact O-N 3.11Å
3A61.2Low75.3Confident77 Ų77117 Ų11764%0.63663%0.631SS**Hα-helixtrans-65.8-27.5-176.400000114.8S6 A7A3-S6 PolarHBondContact O-OG 3.45Å; A3-A7 PolarHBondContact O-N 3.3Å
4W66.7Low75.8Confident196 Ų196118.9 Ų118.974%0.74263%0.631SS**Hα-helixtrans-75.4-32.4179.6-164.317.8000112V2 F8V2-W4 VanDerWaalsContact C-N 3.32Å; V2-W4 PolarHBondContact O-N 3.29Å; W4-F8 AromaticContact CD1-CD2 3.71Å; W4-F8 AromaticContact CD1-CE2 3.87Å; W4-F8 HydrophobicContact CD2-CE2 4.48Å; W4-F8 AromaticContact CE2-CE2 3.64Å; W4-F8 HydrophobicContact CG-CD2 4.4Å; W4-F8 AromaticContact CZ2-CE2 3.98Å; W4-F8 HydrophobicContact CZ2-CE2 3.98Å; W4-F8 AromaticContact NE1-CD2 3.58Å; W4-F8 AromaticContact NE1-CE2 3.23Å; W4-F8 PolarHBondContact O-N 3.26Å
5R74.1Confident76.4Confident196 Ų196115.8 Ų115.874%0.7462%0.623SS**Hα-helixtrans-70.7-36.8177.6-63.7-175.1125.8-170.4-1.7111.8V2 L9V2-R5 PolarHBondContact O-N 3.19Å; R5-L9 VanDerWaalsContact O-CG 3.28Å; R5-L9 WeakPolarHBondContact O-CG 3.34Å; R5-L9 PolarHBondContact O-N 3.38Å; R5-L9 VanDerWaalsContact O-N 3.09Å
6S76.1Confident76.6Confident65 Ų65114.4 Ų114.446%0.45561%0.614SS.*Hα-helixtrans-66.9-41.1175.750.10000112.2V2 A3 L9 V10V2-S6 PolarHBondContact O-N 3.11Å; A3-S6 PolarHBondContact O-OG 3.45Å; S6-L9 PolarHBondContact O-N 3.11Å; S6-V10 VanDerWaalsContact O-CG2 3.29Å; S6-V10 WeakPolarHBondContact O-CG2 3.24Å; S6-V10 PolarHBondContact O-N 3.43Å
7A77Confident76.7Confident52 Ų52110.5 Ų110.543%0.4360%0.601SS.*Hα-helixtrans-64.3-41.3177.700000112.3A3 V10 C11A3-A7 PolarHBondContact O-N 3.3Å; A7-V10 PolarHBondContact O-N 2.87Å; A7-C11 PolarHBondContact O-N 3.05Å; A7-C11 PolarHBondContact O-SG 2.95Å
8F82.3Confident76.4Confident131 Ų131108.1 Ų108.158%0.57559%0.591SS**Hα-helixtrans-64.2-41.9175.5-101-71.9000112.9W4 C11 L12W4-F8 AromaticContact CD1-CD2 3.71Å; W4-F8 AromaticContact CD1-CE2 3.87Å; W4-F8 HydrophobicContact CD2-CE2 4.48Å; W4-F8 AromaticContact CE2-CE2 3.64Å; W4-F8 HydrophobicContact CG-CD2 4.4Å; W4-F8 AromaticContact CZ2-CE2 3.98Å; W4-F8 HydrophobicContact CZ2-CE2 3.98Å; W4-F8 AromaticContact NE1-CD2 3.58Å; W4-F8 AromaticContact NE1-CE2 3.23Å; W4-F8 PolarHBondContact O-N 3.26Å; F8-C11 PolarHBondContact O-N 3.43Å; F8-L12 VanDerWaalsContact O-CB 3.32Å; F8-L12 WeakPolarHBondContact O-CB 3.3Å; F8-L12 PolarHBondContact O-N 3.09Å
9L84.8Confident75.9Confident119 Ų119108.5 Ų108.562%0.62359%0.592SS**Hα-helixtrans-66.7-38.1177.8-70.9174.6000112.2R5 S6 L12 A13R5-L9 VanDerWaalsContact O-CG 3.28Å; R5-L9 WeakPolarHBondContact O-CG 3.34Å; R5-L9 PolarHBondContact O-N 3.38Å; R5-L9 VanDerWaalsContact O-N 3.09Å; S6-L9 PolarHBondContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 3.38Å; L9-A13 VanDerWaalsContact O-CB 3.29Å; L9-A13 WeakPolarHBondContact O-CB 3.38Å; L9-A13 PolarHBondContact O-N 2.97Å
10V85.2Confident75.4Confident103 Ų103108 Ų10862%0.62459%0.592SS**Hα-helixtrans-66.3-42.9175173.20000111S6 A7 A13 F14S6-V10 VanDerWaalsContact O-CG2 3.29Å; S6-V10 WeakPolarHBondContact O-CG2 3.24Å; S6-V10 PolarHBondContact O-N 3.43Å; A7-V10 PolarHBondContact O-N 2.87Å; V10-A13 PolarHBondContact O-N 3.13Å; V10-F14 WeakPolarHBondContact O-CB 3.44Å; V10-F14 PolarHBondContact O-N 2.63Å
11C83Confident74.4Confident81 Ų81111.2 Ų111.255%0.54760%0.603SS.*Hα-helixtrans-62.3-46174.5-76.80000112A7 F8 A13 F14 S15A7-C11 PolarHBondContact O-N 3.05Å; A7-C11 PolarHBondContact O-SG 2.95Å; F8-C11 PolarHBondContact O-N 3.43Å; C11-A13 VanDerWaalsContact C-N 3.34Å; C11-A13 PolarHBondContact O-N 3.45Å; C11-F14 PolarHBondContact O-N 3.46Å; C11-S15 PolarHBondContact O-N 3Å; C11-S15 PolarHBondContact O-OG 3.32Å
12L85.8Confident74.1Confident100 Ų100110.9 Ų110.952%0.52459%0.589SS.*Hα-helixtrans-62.8-42.4179.3-160.4169000110.8F8 L9 S15 L16F8-L12 VanDerWaalsContact O-CB 3.32Å; F8-L12 WeakPolarHBondContact O-CB 3.3Å; F8-L12 PolarHBondContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.38Å; L12-S15 PolarHBondContact O-N 3.38Å; L12-L16 HydrophobicContact CD2-CD1 3.35Å; L12-L16 HydrophobicContact CD2-CG 3.97Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.02Å
13A86.7Confident73.5Confident57 Ų57106.7 Ų106.747%0.47157%0.571SS.*Hα-helixtrans-63.7-40.2175.200000112.3L9 V10 C11 L16 A17L9-A13 VanDerWaalsContact O-CB 3.29Å; L9-A13 WeakPolarHBondContact O-CB 3.38Å; L9-A13 PolarHBondContact O-N 2.97Å; V10-A13 PolarHBondContact O-N 3.13Å; C11-A13 VanDerWaalsContact C-N 3.34Å; C11-A13 PolarHBondContact O-N 3.45Å; A13-L16 PolarHBondContact O-N 3.39Å; A13-A17 VanDerWaalsContact O-CB 3.26Å; A13-A17 WeakPolarHBondContact O-CB 3.34Å; A13-A17 PolarHBondContact O-N 2.94Å
14F82.9Confident72.8Confident143 Ų143108.1 Ų108.163%0.62758%0.577SS**Hα-helixtrans-68.2-42176.9-168.3-97.5000111.8V10 C11 A17 T18V10-F14 WeakPolarHBondContact O-CB 3.44Å; V10-F14 PolarHBondContact O-N 2.63Å; C11-F14 PolarHBondContact O-N 3.46Å; F14-A17 PolarHBondContact O-N 3Å; F14-T18 HydrophobicContact CD1-CG2 4.01Å; F14-T18 HydrophobicContact CE1-CG2 3.69Å; F14-T18 HydrophobicContact CZ-CG2 3.97Å; F14-T18 WeakPolarHBondContact O-CB 3.48Å; F14-T18 WeakPolarHBondContact O-CG2 3.41Å; F14-T18 PolarHBondContact O-N 2.82Å; F14-T18 PolarHBondContact O-OG1 3.09Å
15S84Confident71.6Confident73 Ų73101.1 Ų101.151%0.5157%0.565SS.*Hα-helixtrans-61.8-41.8172.3-63.50000112.5C11 L12 T18 L19C11-S15 PolarHBondContact O-N 3Å; C11-S15 PolarHBondContact O-OG 3.32Å; L12-S15 PolarHBondContact O-N 3.38Å; S15-T18 WeakPolarHBondContact CA-OG1 3.39Å; S15-T18 PolarHBondContact O-OG1 2.95Å; S15-T18 VanDerWaalsContact O-OG1 3.08Å; S15-L19 WeakPolarHBondContact O-CB 3.33Å; S15-L19 PolarHBondContact O-N 2.95Å
16L80.7Confident70.3Confident93 Ų9397.7 Ų97.749%0.48756%0.562SS.*Hα-helixtrans-66.9-40.9174-86.6169.7000112.1L12 A13 L19 V20L12-L16 HydrophobicContact CD2-CD1 3.35Å; L12-L16 HydrophobicContact CD2-CG 3.97Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.02Å; A13-L16 PolarHBondContact O-N 3.39Å; L16-L19 PolarHBondContact O-N 3.27Å; L16-V20 VanDerWaalsContact O-CB 3.31Å; L16-V20 WeakPolarHBondContact O-CB 3.19Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.89Å
17A77.3Confident69Low48 Ų48100.8 Ų100.840%0.39757%0.567SS.*Hα-helixtrans-66.4-46.2178.700000111.1A13 F14 L19 V20 Q21A13-A17 VanDerWaalsContact O-CB 3.26Å; A13-A17 WeakPolarHBondContact O-CB 3.34Å; A13-A17 PolarHBondContact O-N 2.94Å; F14-A17 PolarHBondContact O-N 3Å; A17-L19 VanDerWaalsContact C-N 3.33Å; A17-L19 PolarHBondContact O-N 2.66Å; A17-V20 PolarHBondContact O-N 3.45Å; A17-Q21 WeakPolarHBondContact O-CB 3.28Å; A17-Q21 PolarHBondContact O-N 2.71Å
18T71.8Confident67.7Low67 Ų67104.9 Ų104.941%0.41158%0.582SS.*Hα-helixtrans-65.2-35.9174.750.70000112.4F14 S15 R22F14-T18 HydrophobicContact CD1-CG2 4.01Å; F14-T18 HydrophobicContact CE1-CG2 3.69Å; F14-T18 HydrophobicContact CZ-CG2 3.97Å; F14-T18 WeakPolarHBondContact O-CB 3.48Å; F14-T18 WeakPolarHBondContact O-CG2 3.41Å; F14-T18 PolarHBondContact O-N 2.82Å; F14-T18 PolarHBondContact O-OG1 3.09Å; S15-T18 WeakPolarHBondContact CA-OG1 3.39Å; S15-T18 PolarHBondContact O-OG1 2.95Å; S15-T18 VanDerWaalsContact O-OG1 3.08Å; T18-R22 WeakPolarHBondContact O-CB 3.38Å; T18-R22 PolarHBondContact O-N 2.73Å
19L66.8Low66.4Low117 Ų117105.4 Ų105.461%0.61359%0.591SS**Hα-helixtrans-70.4-35.3173.9-174.766000111.7S15 L16 A17 R22 G23S15-L19 WeakPolarHBondContact O-CB 3.33Å; S15-L19 PolarHBondContact O-N 2.95Å; L16-L19 PolarHBondContact O-N 3.27Å; A17-L19 VanDerWaalsContact C-N 3.33Å; A17-L19 PolarHBondContact O-N 2.66Å; L19-R22 CarbonylContact O-C 3.53Å; L19-G23 WeakPolarHBondContact O-CA 2.8Å; L19-G23 PolarHBondContact O-N 3.33Å
20V65.1Low64.6Low98 Ų98107.6 Ų107.659%0.59460%0.596SS**Hα-helixtrans-73.1-39.2175.1165.80000110.8L16 A17 R22 G23 S24L16-V20 VanDerWaalsContact O-CB 3.31Å; L16-V20 WeakPolarHBondContact O-CB 3.19Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.89Å; A17-V20 PolarHBondContact O-N 3.45Å; V20-R22 VanDerWaalsContact C-N 3.31Å; V20-R22 PolarHBondContact O-N 2.95Å; V20-G23 PolarHBondContact O-N 3.45Å; V20-S24 VanDerWaalsContact O-CB 3.3Å; V20-S24 WeakPolarHBondContact O-CB 3.26Å; V20-S24 PolarHBondContact O-N 3.42Å
21Q55Low63.1Low176 Ų176107.1 Ų107.182%0.82259%0.59SS**Hα-helixtrans-72.9-25.7179.7-153146.6-47.200112.3A17A17-Q21 WeakPolarHBondContact O-CB 3.28Å; A17-Q21 PolarHBondContact O-N 2.71Å
22R51Low61.6Low212 Ų212110.3 Ų110.380%0.860%0.6SS**Hα-helixtrans-97.9-10.7170-159.9166.3-177.694.1-0.1113.6T18 L19 V20 F27T18-R22 WeakPolarHBondContact O-CB 3.38Å; T18-R22 PolarHBondContact O-N 2.73Å; L19-R22 CarbonylContact O-C 3.53Å; V20-R22 VanDerWaalsContact C-N 3.31Å; V20-R22 PolarHBondContact O-N 2.95Å; R22-F27 WeakPolarHBondContact O-CE2 3.42Å
23G46.3Very low60.1Low36 Ų36111.6 Ų111.637%0.37160%0.603SS.*Hα-helixtrans-104.5-6-172.800000114.7L19 V20 G25L19-G23 WeakPolarHBondContact O-CA 2.8Å; L19-G23 PolarHBondContact O-N 3.33Å; V20-G23 PolarHBondContact O-N 3.45Å; G23-G25 VanDerWaalsContact C-N 3.29Å
24S45.9Very low58.5Low108 Ų108115.2 Ų115.276%0.75562%0.615SS**SBendtrans-91.718.4174.9-179.70000112.8V20V20-S24 VanDerWaalsContact O-CB 3.3Å; V20-S24 WeakPolarHBondContact O-CB 3.26Å; V20-S24 PolarHBondContact O-N 3.42Å
25G41.8Very low57.1Low48 Ų48112.3 Ų112.350%0.49562%0.618SS.*SBendtrans-120.1112.4168.900000108.7G23 F27G23-G25 VanDerWaalsContact C-N 3.29Å; G25-F27 VanDerWaalsContact O-CD2 3.23Å; G25-F27 WeakPolarHBondContact O-CD2 2.88Å; G25-F27 WeakPolarHBondContact O-CE2 3.5Å; G25-F27 PolarHBondContact O-N 3.24Å
26D47.1Very low55.6Low124 Ų124114.2 Ų114.266%0.66363%0.626SS**  trans8.989.9169.6-75.7-29.6000116.1D28D26-D28 VanDerWaalsContact C-N 3.3Å
27F48.5Very low54Low131 Ų131117.9 Ų117.958%0.57564%0.638SS**SBendtrans-90.75.5162.9-78-87.2000112.6R22 G25 F30R22-F27 WeakPolarHBondContact O-CE2 3.42Å; G25-F27 VanDerWaalsContact O-CD2 3.23Å; G25-F27 WeakPolarHBondContact O-CD2 2.88Å; G25-F27 WeakPolarHBondContact O-CE2 3.5Å; G25-F27 PolarHBondContact O-N 3.24Å; F27-F30 HydrophobicContact CD1-CD2 4.26Å; F27-F30 HydrophobicContact CD1-CE2 4.39Å
28D50.3Low52.6Low138 Ų138124.2 Ų124.274%0.73866%0.659SS**THydrogen-bonded Turntrans-83.2-10.6177.2-67-45.8000113.3D26D26-D28 VanDerWaalsContact C-N 3.3Å
29D55.4Low51.3Low142 Ų142127.4 Ų127.476%0.75968%0.679SS**THydrogen-bonded Turntrans-96.45.3-177.5-104.84.9000114.6N31D29-N31 VanDerWaalsContact C-N 3.29Å; D29-N31 PolarHBondContact O-N 3.26Å
30F46.6Very low50.2Low165 Ų165127.8 Ų127.872%0.72469%0.691SS**  trans-93.739.1173.9-69.4-75.7000113.1F27 L32F27-F30 HydrophobicContact CD1-CD2 4.26Å; F27-F30 HydrophobicContact CD1-CE2 4.39Å; F30-L32 PolarHBondContact O-N 3.3Å; F30-L32 VanDerWaalsContact O-N 3.13Å
31N53Low49.1Very low93 Ų93128.9 Ų128.950%0.49770%0.703SS.*  trans-76.399.1163.9-85.8-47.3000109.5D29 E33 D34D29-N31 VanDerWaalsContact C-N 3.29Å; D29-N31 PolarHBondContact O-N 3.26Å; N31-E33 HydrophobicContact CB-CB 4.31Å; N31-E33 HydrophobicContact CB-CG 3.94Å; N31-E33 WeakPolarHBondContact CB-OE2 3.43Å; N31-E33 PolarHBondContact O-N 2.74Å; N31-E33 PolarHBondContact OD1-OE2 2.86Å; N31-D34 PolarHBondContact O-N 2.89Å
32L51.9Low48.5Very low147 Ų147126.6 Ų126.677%0.7770%0.701SS**THydrogen-bonded Turntrans-64.222.1167.7-159.378.3000112.8F30F30-L32 PolarHBondContact O-N 3.3Å; F30-L32 VanDerWaalsContact O-N 3.13Å
33E53.4Low48.2Very low127 Ų127125.5 Ų125.559%0.59370%0.702SS**THydrogen-bonded Turntrans-102.3-26.4-174.5-44174.1125.300110.6N31N31-E33 HydrophobicContact CB-CB 4.31Å; N31-E33 HydrophobicContact CB-CG 3.94Å; N31-E33 WeakPolarHBondContact CB-OE2 3.43Å; N31-E33 PolarHBondContact O-N 2.74Å; N31-E33 PolarHBondContact OD1-OE2 2.86Å
34D54.6Low48.1Very low133 Ų133132.9 Ų132.971%0.71173%0.727SS**THydrogen-bonded Turntrans-90.5-27.3178.6-115.211.5000112.5N31 V36 K37N31-D34 PolarHBondContact O-N 2.89Å; D34-V36 PolarHBondContact O-N 3Å; D34-K37 PolarHBondContact O-N 3.22Å
35A53.1Low47.7Very low83 Ų83131.4 Ų131.469%0.68672%0.715SS**THydrogen-bonded Turntrans-72.8-10.1178.600000114.4
36V53.1Low47.8Very low113 Ų113139.9 Ų139.969%0.68573%0.732SS**THydrogen-bonded Turntrans-103.2-9.1179.9168.60000112.6D34D34-V36 PolarHBondContact O-N 3Å
37K47.3Very low47.6Very low169 Ų169138.9 Ų138.974%0.73573%0.727SS**SBendtrans-95-0.4-170.5-93.5178179.5168.80117.2D34D34-K37 PolarHBondContact O-N 3.22Å
38E47.6Very low47.4Very low182 Ų182139.6 Ų139.685%0.8573%0.731SS**SBendtrans-132.553.1-176.8-67.3-157.2151.500114.7
39T44.7Very low47.1Very low133 Ų133139.2 Ų139.282%0.81674%0.735SS**  trans-144.346.9164.760.60000113.9
40S43.4Very low46.7Very low125 Ų125138 Ų13887%0.87473%0.733SS**  trans-113.955.8161.784.90000111.6
41S40.5Very low46.7Very low122 Ų122135.9 Ų135.985%0.85373%0.733SS**  trans-114.868.2163.7-169.70000108.4
42V43.6Very low46Very low127 Ų127138 Ų13877%0.7775%0.749SS**  trans-136.3102.1172174.90000108.6
43K44.8Very low45.7Very low190 Ų190136.5 Ų136.583%0.82675%0.746SS**  trans17.6109.6148.5-70.2-179.7173.4-178.80116.4P45K43-P45 WeakPolarHBondContact O-CD 3.5Å
44Q43.3Very low45.1Very low190 Ų190135.7 Ų135.789%0.88875%0.751SS**  trans-91.8108.1148.6-74.5-80-40.900107.5
45P38.7Very low44.5Very low77 Ų77136.3 Ų136.350%0.575%0.754SS.*  trans-82.5161.116229.9-20.3000109.2K43K43-P45 WeakPolarHBondContact O-CD 3.5Å
46W43.7Very low43.8Very low226 Ų226143.9 Ų143.986%0.85677%0.765SS**  trans72.7126.1176.7-35.6100.3000112.9
47D42.5Very low43Very low104 Ų104144.5 Ų144.556%0.55677%0.771SS**  cis176141.2-4.9-139.1-25000104
48H43.6Very low42.7Very low145 Ų145139.3 Ų139.367%0.67177%0.766SS**  trans54.5125.6161.132.1-97.7000122.6
49T44.3Very low42.6Very low131 Ų131137.2 Ų137.280%0.80477%0.765SS**  trans78.4119.8136.5-53.60000114.9
50T47.1Very low42.4Very low117 Ų117136.8 Ų136.872%0.71876%0.762SS**  cis-169.9143.324.5-100.60000110.9
51T47.4Very low42.1Very low119 Ų119142.1 Ų142.173%0.7376%0.764SS**  trans-20124.7156.5-55.90000116.8T53T51-T53 PolarHBondContact O-N 2.85Å
52T37.4Very low42Very low137 Ų137140.3 Ų140.384%0.8476%0.756SS**  trans-37.1109.8154-57.20000112.7
53T45.2Very low42.1Very low116 Ų116140.2 Ų140.271%0.71276%0.758SS**  trans-176.4126136.6-169.70000111.3T51T51-T53 PolarHBondContact O-N 2.85Å
54T40.6Very low42.1Very low111 Ų111136 Ų13668%0.68176%0.758SS**  trans73.1116.9147-133.50000121.2
55N41.8Very low42.3Very low146 Ų146135.8 Ų135.878%0.78176%0.755SS**  trans78.2107.2146.5-64.1-40.7000122.6
56R38.9Very low43Very low242 Ų242137.9 Ų137.991%0.91377%0.768SS**  107.6133.6125-152.1172.8-155.7153.25.4118.1
57P36.7Very low43Very low126 Ų126132.9 Ų132.982%0.81877%0.765SS**  trans-105.4159.7-167.940.3-32.4000114.6
58G40.2Very low43.2Very low60 Ų60131.7 Ų131.762%0.61978%0.777SS**  trans176.395.3166.300000112
59T45.6Very low43.2Very low137 Ų137130.9 Ų130.984%0.8479%0.788SS**  63.1113.1103.557.20000116.1
60T40.6Very low43.5Very low124 Ų124127.5 Ų127.576%0.76178%0.779SS**  150.8127.6109-590000114.3
61R37.9Very low43.8Very low238 Ų238130.5 Ų130.590%0.89879%0.79SS**  trans81.3108149.7-91.7175.9161.7-173.2-5.9123.1
62A38.7Very low44.5Very low84 Ų84131.3 Ų131.369%0.69479%0.79SS**  trans-85.2-162.613400000109.6
63P45.2Very low45.8Very low125 Ų125131.7 Ų131.781%0.81279%0.786SS**  cis-143.8-164.7-10.537.6-15000114.5
64A44Very low46.6Very low101 Ų101129.6 Ų129.684%0.83578%0.781SS**  trans121.7128.9152.400000113.6
65K48.5Very low47.6Very low186 Ų186131.8 Ų131.881%0.80979%0.788SS**  cis-177.1140.610.5172.4-178.6-173.4-179.90107.6
66P52.5Low48.5Very low120 Ų120128.9 Ų128.978%0.77978%0.784SS**  trans-106.3149.5158.235.4-25.3000110.5
67P45Very low49.5Very low121 Ų121124.8 Ų124.879%0.78678%0.78SS**  -153.2149.2111.436.5-18.5000114
68G45.6Very low50.6Low79 Ų79125.1 Ų125.181%0.81478%0.775SS**  trans-179.784.6172.100000112.1
69S44.4Very low51.2Low128 Ų128128.4 Ų128.490%0.89578%0.778SS**  trans-71.5127.2165.948.10000110.1
70G49.7Very low51.5Low61 Ų61129.2 Ų129.263%0.62977%0.772SS**  trans-17883.4172.900000110.6D72G70-D72 PolarHBondContact O-N 2.83Å
71L54.1Low52.1Low179 Ų179130.6 Ų130.694%0.93778%0.775SS**  trans-8667.2164.6-67.4174.8000107.6
72D61.7Low53Low136 Ų136125.4 Ų125.473%0.72777%0.765SS**  trans-89.5107.8174.5-79.7-35.5000109.1G70 A74G70-D72 PolarHBondContact O-N 2.83Å; D72-A74 HydrophobicContact CB-CB 4.49Å; D72-A74 PolarHBondContact O-N 3.48Å; D72-A74 VanDerWaalsContact O-N 3.11Å
73L64.6Low53.5Low145 Ų145124.5 Ų124.576%0.75976%0.763SS**G310 helixtrans-72.411.4172.6-67.3165.9000112.6D75 A76L73-D75 VanDerWaalsContact C-N 3.26Å; L73-D75 PolarHBondContact O-N 3.3Å; L73-A76 PolarHBondContact O-N 2.82Å
74A61.9Low53.7Low73 Ų73128.9 Ų128.960%0.60376%0.764SS**G310 helixtrans-68.8-22.9-178.300000113D72 A76D72-A74 HydrophobicContact CB-CB 4.49Å; D72-A74 PolarHBondContact O-N 3.48Å; D72-A74 VanDerWaalsContact O-N 3.11Å; A74-A76 VanDerWaalsContact C-N 3.29Å; A74-A76 PolarHBondContact O-N 3.01Å
75D61.4Low54Low156 Ų156134.6 Ų134.683%0.83476%0.764SS**G310 helixtrans-79.4-7.9177.4-120.117.3000113.5L73L73-D75 VanDerWaalsContact C-N 3.26Å; L73-D75 PolarHBondContact O-N 3.3Å
76A60.9Low54.2Low85 Ų85135.4 Ų135.470%0.70277%0.767SS**G310 helixtrans-91.2-5.9-178.400000113.6L73 A74L73-A76 PolarHBondContact O-N 2.82Å; A74-A76 VanDerWaalsContact C-N 3.29Å; A74-A76 PolarHBondContact O-N 3.01Å
77L61.1Low54Low157 Ų157135.6 Ų135.682%0.82277%0.769SS**SBendtrans-115.8-2.4-172.9-77.6145.1000113.6
78D58.6Low53.7Low133 Ų133132.8 Ų132.871%0.71176%0.762SS**  trans-113.7115.7-176.1-143.227.7000111.9
79D53.2Low53.7Low128 Ų128137.4 Ų137.468%0.68477%0.766SS**  trans68.4108.5142.7-14420.7000120.5
80Q53Low53.6Low154 Ų154135.2 Ų135.272%0.7276%0.763SS**  176.3101.3106.4-96.9178.8-35.300111.1D82Q80-D82 PolarHBondContact O-N 3.13Å
81D52.9Low53.2Low154 Ų154136.2 Ų136.282%0.82477%0.774SS**  trans-79.288.9166.3178.622.9000110
82D55.6Low52.7Low129 Ų129138.7 Ų138.769%0.6977%0.771SS**  trans-131.273.3176.7-70-30.3000112.6Q80Q80-D82 PolarHBondContact O-N 3.13Å
83G49.9Very low51.9Low64 Ų64141.1 Ų141.166%0.6678%0.778SS**  trans77.7134.6132.900000121.2
84R49.6Very low50.7Low217 Ų217144.5 Ų144.582%0.81978%0.781SS**  trans81.298.8139.2-67-176.8-175-1673.2118.9
85R49.3Very low50.1Low221 Ų221152.9 Ų152.983%0.83480%0.797SS**  134115.7107.8-82.2164.4176.9-167.40.4113.6
86K52.6Low49.4Very low204 Ų204151.5 Ų151.589%0.88779%0.789SS**  trans-83.3144.5169.5-159.5-179.4-167179.50110.2
87P48.5Very low48.2Very low124 Ų124155.1 Ų155.181%0.80579%0.791SS**  trans-114.6133.9150.726.8-12.5000110.8
88G38.9Very low47.8Very low62 Ų62154 Ų15464%0.63979%0.791SS**  trans-103.7-176.4169.700000112.4
89I45.3Very low47.2Very low175 Ų175152.6 Ų152.690%0.89779%0.787SS**  trans101.598.7163.1-55.3164000115.8
90G43.2Very low47.3Very low82 Ų82152.9 Ų152.985%0.84579%0.794SS**  68.6114.7115.700000119.9
91G40.7Very low47Very low83 Ų83151.3 Ų151.386%0.85680%0.795SS**  trans-177.39116600000113.1
92R43.5Very low46.9Very low230 Ų230150.4 Ų150.487%0.86880%0.795SS**  trans-74.2143.2168.654.3-170.2136.9-132.6-4109.9
93E44.8Very low46.5Very low188 Ų188153.5 Ų153.588%0.87980%0.802SS**  trans-175.5139.7139.9-100.4159.3-141.700112.5
94R39.9Very low46.2Very low216 Ų216161.3 Ų161.382%0.81581%0.812SS**  trans-85.3146.6-169.2-67.5169.6164.4172.7-6.5111.7
95W49Very low45.8Very low249 Ų249156.6 Ų156.694%0.94381%0.81SS**  trans-132.5136.4154-78.191.2000110.7
96N46Very low45.9Very low126 Ų126152.9 Ų152.967%0.67481%0.811SS**  trans-96.7143.4-157.2-50.9-61.3000113.1
97H36.2Very low46Very low161 Ų161148.4 Ų148.475%0.74580%0.801SS**  trans16.8117.9141-160.2-153.9000119.4T99H97-T99 PolarHBondContact CE1-OG1 3.41Å; H97-T99 PolarHBondContact NE2-OG1 3.3Å
98V52.6Low45.7Very low133 Ų133149.4 Ų149.481%0.80681%0.805SS**  trans-126.3119.1156174.80000108.2
99T45.9Very low45.8Very low105 Ų105157.3 Ų157.364%0.64482%0.816SS**  trans-106.5128177.7-23.60000108.5H97H97-T99 PolarHBondContact CE1-OG1 3.41Å; H97-T99 PolarHBondContact NE2-OG1 3.3Å
100T56.6Low45.7Very low134 Ų134153.2 Ų153.282%0.82281%0.807SS**  trans-133.4123.9169.8-30.70000109.9
101T45.5Very low46.1Very low120 Ų120155.5 Ų155.574%0.73681%0.808SS**  trans-108.3139-174.5161.50000109.1
102T50.4Low46.7Very low135 Ų135155.2 Ų155.283%0.82880%0.797SS**  trans-164.2114.4151.3-83.60000113.3
103K48.3Very low46.7Very low194 Ų194150.2 Ų150.284%0.84379%0.788SS**  trans20.6121.2151.2-55.2-82.3-179.21690121.2
104R43.1Very low46.9Very low228 Ų228147.6 Ų147.686%0.8678%0.784SS**PPolyproline II helixtrans-81.7146167.4-97.3178.5168.3-115.21.8113.5
105P41.5Very low47Very low119 Ų119145.7 Ų145.777%0.77379%0.79SS**PPolyproline II helixtrans-95.9158.91585.914.9000113.3
106V52.3Low47.1Very low143 Ų143135.5 Ų135.587%0.86776%0.761SS**PPolyproline II helixtrans-63.2141.8-164171.50000116
107T53.4Low47.8Very low110 Ų110136.5 Ų136.568%0.67577%0.767SS**PPolyproline II helixtrans-86.1135.8176.1-82.40000112.7
108T43.6Very low49.1Very low145 Ų145135 Ų13589%0.8976%0.764SS**PPolyproline II helixtrans-100.8136.4159.5-54.80000109.4
109R40.3Very low49.9Very low228 Ų228138.5 Ų138.586%0.8677%0.769SS**  trans-104.7135-161.3-178.9-174.6-180-165.70.5113.1
110A43.4Very low51.2Low88 Ų88138.4 Ų138.473%0.72777%0.765SS**  trans175.2157.5139.700000110.1
111P50.4Low52Low131 Ų131138.4 Ų138.485%0.85176%0.759SS**  cis-119.2-175.6-5.337.1-19.2000113.3
112A54.5Low53.3Low76 Ų76135.3 Ų135.363%0.62875%0.746SS**  trans-75.5116-159.500000116.9
113N42.1Very low54.4Low126 Ų126134.1 Ų134.167%0.67473%0.734SS**  trans39.195.8132.845.6-89.5000120.6
114T49.2Very low55.5Low132 Ų132128.9 Ų128.981%0.8173%0.727SS**  -143.656.2123.35.60000106.4
115L43.4Very low56.9Low177 Ų177125.1 Ų125.193%0.92772%0.723SS**  trans-104.881.2-174.5-159.785.9000107.7
116G50.8Low58.4Low34 Ų34122.5 Ų122.535%0.35170%0.703SS.*SBendtrans-169.5117.717100000106.9D118G116-D118 PolarHBondContact O-N 3.48Å
117N60.4Low59.2Low147 Ų147121.3 Ų121.379%0.78669%0.692SS**SBendtrans72.64.2159.538.3-74.2000119.3F119N117-F119 VanDerWaalsContact C-N 3.34Å; N117-F119 PolarHBondContact O-N 3Å
118D64.3Low59.9Low129 Ų129124.2 Ų124.269%0.6969%0.69SS**THydrogen-bonded Turntrans-77-14176.7-66.812.2000114.8G116G116-D118 PolarHBondContact O-N 3.48Å
119F67.9Low60.9Low208 Ų208122.5 Ų122.591%0.91268%0.675SS**THydrogen-bonded Turntrans-106.721.7176.6-69.4-78.5000112.9N117 L121N117-F119 VanDerWaalsContact C-N 3.34Å; N117-F119 PolarHBondContact O-N 3Å; F119-L121 PolarHBondContact O-N 3.49Å
120D72.9Confident61.9Low102 Ų102117.9 Ų117.955%0.54567%0.668SS.*  trans-87.5109.2177.7-163-3.9000110.8A122D120-A122 PolarHBondContact O-N 3.17Å; D120-A122 WeakPolarHBondContact OD1-CB 3.24Å; D120-A122 PolarHBondContact OD1-N 2.84Å
121L73.5Confident62.5Low134 Ų134122.7 Ų122.770%0.70267%0.667SS**G310 helixtrans-74.4-3.7174.3-64171.6000112.4F119 D123 A124 L125F119-L121 PolarHBondContact O-N 3.49Å; L121-D123 PolarHBondContact O-N 3.49Å; L121-A124 PolarHBondContact O-N 2.97Å; L121-A124 VanDerWaalsContact O-N 3.09Å; L121-L125 PolarHBondContact O-N 3.22Å
122A73Confident62.8Low56 Ų56123.4 Ų123.446%0.46366%0.664SS.*G310 helixtrans-59.5-31178.600000113.1D120 A124 L125 D126D120-A122 PolarHBondContact O-N 3.17Å; D120-A122 WeakPolarHBondContact OD1-CB 3.24Å; D120-A122 PolarHBondContact OD1-N 2.84Å; A122-A124 VanDerWaalsContact C-N 3.34Å; A122-L125 PolarHBondContact O-N 3.14Å; A122-D126 PolarHBondContact O-N 2.8Å
123D73.6Confident62.8Low110 Ų110125.8 Ų125.859%0.58867%0.666SS**G310 helixtrans-74.2-25.3177.3-16335.7000112.6L121L121-D123 PolarHBondContact O-N 3.49Å
124A71.2Confident63.3Low84 Ų84123.8 Ų123.869%0.69468%0.676SS**THydrogen-bonded Turntrans-84.2-18.7176.300000113.1L121 A122L121-A124 PolarHBondContact O-N 2.97Å; L121-A124 VanDerWaalsContact O-N 3.09Å; A122-A124 VanDerWaalsContact C-N 3.34Å
125L73.9Confident63.5Low149 Ų149128.7 Ų128.778%0.7868%0.679SS**SBendtrans-98.1-2.6175-68.1173.8000112.8L121 A122 D127L121-L125 PolarHBondContact O-N 3.22Å; A122-L125 PolarHBondContact O-N 3.14Å; L125-D127 PolarHBondContact O-N 3.46Å; L125-D127 VanDerWaalsContact O-N 3.14Å
126D72.3Confident63.9Low63 Ų63131.4 Ų131.434%0.33768%0.677SS.*  trans-74101.6173.8-169.716.1000109.5A122 R128 N129A122-D126 PolarHBondContact O-N 2.8Å; D126-R128 PolarHBondContact O-N 2.88Å; D126-R128 VanDerWaalsContact OD1-CB 3.24Å; D126-R128 WeakPolarHBondContact OD1-CB 3.27Å; D126-R128 WeakPolarHBondContact OD1-CD 3.49Å; D126-R128 VanDerWaalsContact OD1-CG 3.25Å; D126-R128 WeakPolarHBondContact OD1-CG 3.19Å; D126-R128 PolarHBondContact OD1-N 3.3Å; D126-N129 WeakPolarHBondContact O-CB 3.29Å; D126-N129 PolarHBondContact O-N 2.85Å
127D68.9Low64.4Low119 Ų119138.3 Ų138.364%0.63670%0.697SS**THydrogen-bonded Turntrans-58.2-9.4172.366.8-8.4000113.1L125 D130L125-D127 PolarHBondContact O-N 3.46Å; L125-D127 VanDerWaalsContact O-N 3.14Å; D127-D130 WeakPolarHBondContact O-CB 3.23Å
128R67.5Low64.1Low171 Ų171136.7 Ų136.765%0.64570%0.695SS**THydrogen-bonded Turntrans-87.1-11.5173.7-53.3174.9176.5-167.4-1113.5D126 D130 R131D126-R128 PolarHBondContact O-N 2.88Å; D126-R128 VanDerWaalsContact OD1-CB 3.24Å; D126-R128 WeakPolarHBondContact OD1-CB 3.27Å; D126-R128 WeakPolarHBondContact OD1-CD 3.49Å; D126-R128 VanDerWaalsContact OD1-CG 3.25Å; D126-R128 WeakPolarHBondContact OD1-CG 3.19Å; D126-R128 PolarHBondContact OD1-N 3.3Å; R128-D130 VanDerWaalsContact C-N 3.26Å; R128-R131 WeakPolarHBondContact O-CG 3.3Å
129N64.6Low63.5Low108 Ų108138.1 Ų138.158%0.57870%0.701SS**SBendtrans-80.1-13.8168.3-163.135.2000111.5D126 R131D126-N129 WeakPolarHBondContact O-CB 3.29Å; D126-N129 PolarHBondContact O-N 2.85Å; N129-R131 PolarHBondContact O-N 2.94Å
130D61.6Low62.7Low132 Ų132133.1 Ų133.171%0.70670%0.698SS**  trans-73.332.8165.3-60.4-32.3000112.1D127 R128 D132D127-D130 WeakPolarHBondContact O-CB 3.23Å; R128-D130 VanDerWaalsContact C-N 3.26Å; D130-D132 PolarHBondContact O-N 3.44Å
131R56.9Low61.7Low188 Ų188131.1 Ų131.171%0.70970%0.702SS**  trans-69.577.2165.6-83.6174.4-177.9143.43.6108.1R128 N129 D133R128-R131 WeakPolarHBondContact O-CG 3.3Å; N129-R131 PolarHBondContact O-N 2.94Å; R131-D133 PolarHBondContact O-N 3.39Å
132D56.5Low60.5Low146 Ų146128.4 Ų128.478%0.78171%0.706SS**  trans-56.589.1146-160.38.3000105.6D130 G134D130-D132 PolarHBondContact O-N 3.44Å; D132-G134 PolarHBondContact O-N 2.9Å
133D54.3Low59.9Low126 Ų126129.4 Ų129.467%0.67472%0.722SS**  trans-49.4105.9175.7-61.9-39.7000106.9R131 R135R131-D133 PolarHBondContact O-N 3.39Å; D133-R135 PolarHBondContact O-N 2.9Å
134G52.7Low59.5Low85 Ų85127.1 Ų127.188%0.87672%0.724SS**SBendtrans-5667.5-169.800000115.5D132D132-G134 PolarHBondContact O-N 2.9Å
135R54Low59.3Low235 Ų235130.3 Ų130.389%0.88772%0.723SS**  trans-137.6-5.2-173.5-97.9-170.3-170.6-140.12.5114.6D133D133-R135 PolarHBondContact O-N 2.9Å
136R52.2Low59.1Low233 Ų233125.9 Ų125.988%0.87970%0.704SS**  trans-109.776159.8-99-177.3174.2-158.6-0.8110.2
137K59.7Low59.3Low179 Ų179129.2 Ų129.278%0.77872%0.722SS**PPolyproline II helixtrans-46.6123156.7-159.6157.9-177.5178.50106.6I139K137-I139 PolarHBondContact O-N 3.32Å
138P53.7Low59.6Low113 Ų113130.8 Ų130.873%0.73472%0.723SS**PPolyproline II helixtrans-53.2122.5165.722.7-30000104.5A140P138-A140 PolarHBondContact O-N 2.68Å
139I52.9Low60.1Low159 Ų159126 Ų12682%0.81571%0.71SS**PPolyproline II helixtrans-48117.8178.5-67.5173.1000104.8K137 G141K137-I139 PolarHBondContact O-N 3.32Å; I139-G141 PolarHBondContact O-N 2.88Å
140A50.4Low60.5Low103 Ų103125.7 Ų125.785%0.85171%0.708SS**SBendtrans-67.963.8174.100000108.3P138P138-A140 PolarHBondContact O-N 2.68Å
141G51.4Low61.2Low61 Ų61125.4 Ų125.463%0.62970%0.703SS**  trans-131.236.3170.900000107.9I139 G143I139-G141 PolarHBondContact O-N 2.88Å; G141-G143 PolarHBondContact O-N 2.99Å
142G50.4Low61.8Low77 Ų77120.8 Ų120.879%0.79469%0.692SS**  trans-62.986.6172.200000109.7G144G142-G144 VanDerWaalsContact C-N 3.32Å; G142-G144 PolarHBondContact O-N 2.86Å
143G59.1Low62.5Low76 Ų76118.4 Ų118.478%0.78468%0.678SS**  trans-70.995.115600000106.8G141G141-G143 PolarHBondContact O-N 2.99Å
144G65.1Low63.3Low62 Ų62118 Ų11864%0.63968%0.68SS**  trans-63.5137.4174.700000110.1G142 S146G142-G144 VanDerWaalsContact C-N 3.32Å; G142-G144 PolarHBondContact O-N 2.86Å; G144-S146 PolarHBondContact O-N 2.73Å; G144-S146 VanDerWaalsContact O-N 3.09Å
145F66.9Low64.1Low152 Ų152117.2 Ų117.267%0.66767%0.672SS**  trans-57.3111.5163.3-117.4-91.8000107.4D149 L150 I153F145-D149 HydrophobicContact CD1-CB 3.85Å; F145-D149 HydrophobicContact CE1-CB 3.98Å; F145-L150 HydrophobicContact CE1-CD1 4.32Å; F145-I153 HydrophobicContact CE1-CD1 3.86Å; F145-I153 HydrophobicContact CZ-CD1 3.83Å
146S70.6Confident64.7Low56 Ų56109.4 Ų109.439%0.39267%0.665SS.*  trans-90.2153.7169.974.30000109.3G144 K148 D149G144-S146 PolarHBondContact O-N 2.73Å; G144-S146 VanDerWaalsContact O-N 3.09Å; S146-K148 PolarHBondContact O-N 3.09Å; S146-D149 WeakPolarHBondContact CA-OD2 3.23Å; S146-D149 WeakPolarHBondContact CB-OD2 3.35Å; S146-D149 PolarHBondContact N-OD2 2.88Å; S146-D149 WeakPolarHBondContact O-CA 3.5Å; S146-D149 VanDerWaalsContact O-CB 3.28Å; S146-D149 WeakPolarHBondContact O-CB 3.47Å; S146-D149 PolarHBondContact O-N 2.89Å; S146-D149 PolarHBondContact OG-OD2 3.21Å
147D75.4Confident65.3Low133 Ų13399.6 Ų99.671%0.71164%0.636SS**Hα-helixtrans-53.5-29178.5-67.9-11.1000112.5D149 L150 E151D147-D149 VanDerWaalsContact C-N 3.3Å; D147-D149 PolarHBondContact O-N 3.47Å; D147-L150 WeakPolarHBondContact O-CA 3.25Å; D147-L150 WeakPolarHBondContact O-CB 3.24Å; D147-L150 PolarHBondContact O-N 3.22Å; D147-E151 WeakPolarHBondContact O-CG 3.32Å; D147-E151 PolarHBondContact O-N 2.96Å
148K76.2Confident65.7Low152 Ų15298.3 Ų98.366%0.66163%0.633SS**Hα-helixtrans-63.9-32.4174.6-64.8-175.217864.20113.4S146 L150 E151 D152S146-K148 PolarHBondContact O-N 3.09Å; K148-L150 PolarHBondContact O-N 3.28Å; K148-E151 PolarHBondContact O-N 3.33Å; K148-D152 PolarHBondContact O-N 3.49Å
149D76.8Confident66.2Low70 Ų70101 Ų10137%0.37463%0.629SS.*Hα-helixtrans-68.3-30.4174.3-56.1-61.9000110.3F145 S146 D147 I153F145-D149 HydrophobicContact CD1-CB 3.85Å; F145-D149 HydrophobicContact CE1-CB 3.98Å; S146-D149 WeakPolarHBondContact CA-OD2 3.23Å; S146-D149 WeakPolarHBondContact CB-OD2 3.35Å; S146-D149 PolarHBondContact N-OD2 2.88Å; S146-D149 WeakPolarHBondContact O-CA 3.5Å; S146-D149 VanDerWaalsContact O-CB 3.28Å; S146-D149 WeakPolarHBondContact O-CB 3.47Å; S146-D149 PolarHBondContact O-N 2.89Å; S146-D149 PolarHBondContact OG-OD2 3.21Å; D147-D149 VanDerWaalsContact C-N 3.3Å; D147-D149 PolarHBondContact O-N 3.47Å; D149-I153 WeakPolarHBondContact O-CD1 3.3Å; D149-I153 VanDerWaalsContact O-CG1 3.23Å; D149-I153 WeakPolarHBondContact O-CG1 3.5Å; D149-I153 PolarHBondContact O-N 3.37Å
150L73.4Confident66.8Low101 Ų101100.7 Ų100.753%0.52962%0.622SS.*Hα-helixtrans-72.9-40.4172.7-144.577.8000111.4F145 D147 K148 D152 I153 V154F145-L150 HydrophobicContact CE1-CD1 4.32Å; D147-L150 WeakPolarHBondContact O-CA 3.25Å; D147-L150 WeakPolarHBondContact O-CB 3.24Å; D147-L150 PolarHBondContact O-N 3.22Å; K148-L150 PolarHBondContact O-N 3.28Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.01Å; L150-I153 PolarHBondContact O-N 3.48Å; L150-V154 VanDerWaalsContact O-CB 3.23Å; L150-V154 WeakPolarHBondContact O-CB 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.24Å; L150-V154 PolarHBondContact O-N 3.47Å
151E76.1Confident67.6Low127 Ų12799.2 Ų99.259%0.59360%0.604SS**Hα-helixtrans-61.6-39.1175.3-63.2169.6-127.800112.2D147 K148 G155D147-E151 WeakPolarHBondContact O-CG 3.32Å; D147-E151 PolarHBondContact O-N 2.96Å; K148-E151 PolarHBondContact O-N 3.33Å; E151-G155 VanDerWaalsContact O-CA 3.24Å; E151-G155 WeakPolarHBondContact O-CA 3.35Å; E151-G155 PolarHBondContact O-N 2.98Å
152D70.7Confident68.2Low90 Ų90102 Ų10248%0.48160%0.604SS.*Hα-helixtrans-70.4-39.6179.1-163.640.4000111.5K148 L150 G157K148-D152 PolarHBondContact O-N 3.49Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.01Å; D152-G157 VanDerWaalsContact O-CA 3.27Å; D152-G157 WeakPolarHBondContact O-CA 3.47Å; D152-G157 PolarHBondContact O-N 3.13Å; D152-G157 WeakPolarHBondContact OD1-CA 3.07Å
153I70Confident68.8Low96 Ų96108.5 Ų108.549%0.49261%0.611SS.*Hα-helixtrans-70.7-40.2176.5-64.8167.7000111.7F145 D149 L150F145-I153 HydrophobicContact CE1-CD1 3.86Å; F145-I153 HydrophobicContact CZ-CD1 3.83Å; D149-I153 WeakPolarHBondContact O-CD1 3.3Å; D149-I153 VanDerWaalsContact O-CG1 3.23Å; D149-I153 WeakPolarHBondContact O-CG1 3.5Å; D149-I153 PolarHBondContact O-N 3.37Å; L150-I153 PolarHBondContact O-N 3.48Å
154V72.7Confident68.8Low118 Ų118108 Ų10872%0.71561%0.605SS**Hα-helixtrans-81-30.7-179174.10000111.9L150 G156L150-V154 VanDerWaalsContact O-CB 3.23Å; L150-V154 WeakPolarHBondContact O-CB 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.24Å; L150-V154 PolarHBondContact O-N 3.47Å; V154-G156 PolarHBondContact O-N 3.47Å
155G69.6Low68.6Low68 Ų68113.7 Ų113.770%0.70161%0.612SS**THydrogen-bonded Turntrans-79.44.4-178.200000115E151 G157E151-G155 VanDerWaalsContact O-CA 3.24Å; E151-G155 WeakPolarHBondContact O-CA 3.35Å; E151-G155 PolarHBondContact O-N 2.98Å; G155-G157 VanDerWaalsContact C-N 3.31Å
156G64.6Low68Low72 Ų72109.7 Ų109.774%0.74261%0.614SS**THydrogen-bonded Turntrans74.323-17800000113.4V154V154-G156 PolarHBondContact O-N 3.47Å
157G66Low67.1Low26 Ų26115.3 Ų115.327%0.26864%0.639SS.*  trans-67.2127.6170.600000110.6D152 G155 Y159D152-G157 VanDerWaalsContact O-CA 3.27Å; D152-G157 WeakPolarHBondContact O-CA 3.47Å; D152-G157 PolarHBondContact O-N 3.13Å; D152-G157 WeakPolarHBondContact OD1-CA 3.07Å; G155-G157 VanDerWaalsContact C-N 3.31Å; G157-Y159 VanDerWaalsContact C-N 3.35Å; G157-Y159 PolarHBondContact O-N 3.34Å
158E68.4Low66.3Low152 Ų152111.5 Ų111.571%0.7163%0.632SS**  trans-70.490.8-179-167.7173.1152.100109.5K160E158-K160 VanDerWaalsContact CD-CE 3.43Å; E158-K160 HydrophobicContact CG-CG 4.32Å; E158-K160 PolarHBondContact O-N 3.34Å; E158-K160 WeakPolarHBondContact OE1-CE 3.34Å; E158-K160 IonicContact OE1-NZ 3.48Å; E158-K160 PolarHBondContact OE1-NZ 3.07Å
159Y63.5Low65.1Low170 Ų170116.1 Ų116.167%0.66765%0.645SS**  trans-54.9107.1170.7178.7-104.4000109.4G157 P161G157-Y159 VanDerWaalsContact C-N 3.35Å; G157-Y159 PolarHBondContact O-N 3.34Å; Y159-P161 HydrophobicContact CD1-CG 4.36Å; Y159-P161 HydrophobicContact CE1-CB 3.86Å; Y159-P161 HydrophobicContact CE1-CG 3.97Å; Y159-P161 VanDerWaalsContact O-CD 3.25Å; Y159-P161 WeakPolarHBondContact O-CD 3.36Å
160K66.3Low64.2Low152 Ų152123.4 Ų123.466%0.66167%0.669SS**  trans-104.393.5174.7-71.2-175.1-176.2-171.40108.7E158 D162E158-K160 VanDerWaalsContact CD-CE 3.43Å; E158-K160 HydrophobicContact CG-CG 4.32Å; E158-K160 PolarHBondContact O-N 3.34Å; E158-K160 WeakPolarHBondContact OE1-CE 3.34Å; E158-K160 IonicContact OE1-NZ 3.48Å; E158-K160 PolarHBondContact OE1-NZ 3.07Å; K160-D162 PolarHBondContact O-N 3.32Å
161P66.1Low63.2Low73 Ų73122.4 Ų122.447%0.47468%0.683SS.*  trans-59.6130.7170.725-30.7000108.2Y159 K163Y159-P161 HydrophobicContact CD1-CG 4.36Å; Y159-P161 HydrophobicContact CE1-CB 3.86Å; Y159-P161 HydrophobicContact CE1-CG 3.97Å; Y159-P161 VanDerWaalsContact O-CD 3.25Å; Y159-P161 WeakPolarHBondContact O-CD 3.36Å; P161-K163 PolarHBondContact O-N 2.9Å
162D63.9Low62.1Low118 Ų118120.5 Ų120.563%0.63168%0.683SS**  trans-51.4108.2178.4-179.92.1000109.6K160 G164K160-D162 PolarHBondContact O-N 3.32Å; D162-G164 PolarHBondContact O-N 2.96Å; D162-G164 VanDerWaalsContact O-N 3.17Å; D162-G164 PolarHBondContact OD1-N 3.46Å
163K64Low61.3Low215 Ų215123.7 Ų123.794%0.93570%0.701SS**THydrogen-bonded Turntrans-73.95.3-179.8-77.3-175.4178.5178.30113.2P161P161-K163 PolarHBondContact O-N 2.9Å
164G59.5Low60.5Low64 Ų64125.7 Ų125.766%0.6671%0.712SS**THydrogen-bonded Turntrans-124.83-162.600000117.9D162D162-G164 PolarHBondContact O-N 2.96Å; D162-G164 VanDerWaalsContact O-N 3.17Å; D162-G164 PolarHBondContact OD1-N 3.46Å
165K60.1Low59.6Low183 Ų183125.1 Ų125.180%0.79671%0.705SS**SBendtrans-13427.2-166.4-123.6170.7-175.81790117.2
166G54.2Low58.8Low67 Ų67128.2 Ų128.269%0.69171%0.713SS**  trans-144.882.8171.700000110.7G168G166-G168 PolarHBondContact O-N 3.27Å
167D52.6Low57.8Low175 Ų175127.9 Ų127.994%0.93671%0.71SS**  trans-69.261.716456.8-24.1000110.5
168G57.1Low56.6Low53 Ų53131.4 Ų131.455%0.54673%0.73SS.*SBendtrans-141.582-178.300000110G166 Y170G166-G168 PolarHBondContact O-N 3.27Å; G168-Y170 PolarHBondContact O-N 2.58Å
169R52Low55.4Low248 Ų248127.4 Ų127.494%0.93673%0.73SS**  trans-0.981.9161-64.1178.2-170.7-109.50.8115.2
170Y56.5Low54.7Low223 Ų223127.4 Ų127.488%0.87574%0.738SS**  trans-14789.5164.8-107.8-90.1000107.9G168 S172G168-Y170 PolarHBondContact O-N 2.58Å; Y170-S172 PolarHBondContact O-N 2.83Å
171G54.3Low53.9Low81 Ų81126.8 Ų126.884%0.83575%0.746SS**  trans-83.291.4167.400000108.5N173G171-N173 PolarHBondContact O-N 3.43Å
172S52.9Low53.2Low86 Ų86124.1 Ų124.160%0.60173%0.73SS**  trans-80.494.1165.2-142.10000107.2Y170 D174Y170-S172 PolarHBondContact O-N 2.83Å; S172-D174 VanDerWaalsContact C-N 3.31Å; S172-D174 PolarHBondContact O-N 3.49Å; S172-D174 PolarHBondContact OG-OD1 2.98Å
173N53.9Low52.7Low158 Ų158125.3 Ų125.385%0.84573%0.732SS**  trans-81.792.8156.1-81.8-42.2000105.4G171 D175G171-N173 PolarHBondContact O-N 3.43Å; N173-D175 PolarHBondContact O-N 3.37Å
174D52.8Low52.3Low137 Ų137120.4 Ų120.473%0.73372%0.722SS**  trans-73.176.1170.1-59.5-33.7000107.9S172S172-D174 VanDerWaalsContact C-N 3.31Å; S172-D174 PolarHBondContact O-N 3.49Å; S172-D174 PolarHBondContact OG-OD1 2.98Å
175D53.7Low52.4Low107 Ų107119.8 Ų119.857%0.57272%0.716SS**  trans-90.9115.1165.9-173.334.9000107.8N173 G177N173-D175 PolarHBondContact O-N 3.37Å; D175-G177 PolarHBondContact O-N 2.87Å
176P52.3Low52.4Low133 Ų133114.4 Ų114.486%0.86470%0.699SS**THydrogen-bonded Turntrans-78.170.5179.333.9-33000108.3
177G44.7Very low52.7Low65 Ų65116.2 Ų116.267%0.6769%0.692SS**THydrogen-bonded Turntrans-174.8-8.7-169.700000119.6D175D175-G177 PolarHBondContact O-N 2.87Å
178S38.8Very low53.6Low100 Ų100110.5 Ų110.570%0.69967%0.669SS**SBendtrans-164.6132.8177.165.40000113.3
179G44.3Very low54.8Low68 Ų68109.9 Ų109.970%0.70166%0.662SS**  trans104.134.714900000119.9V181G179-V181 VanDerWaalsContact C-N 3.27Å; G179-V181 PolarHBondContact O-N 2.92Å
180M49.7Very low56.2Low170 Ų170102 Ų10284%0.83764%0.642SS**  trans-67.7101.7145.3-165.2-175.1-151.100105.6A182M180-A182 HydrophobicContact CG-CB 4.13Å; M180-A182 PolarHBondContact O-N 3.45Å; M180-A182 HydrophobicContact SD-CB 4.11Å
181V49.4Very low57.5Low138 Ų13894.3 Ų94.384%0.83662%0.624SS**  trans-66.173.3157.6-177.40000105G179 E183G179-V181 VanDerWaalsContact C-N 3.27Å; G179-V181 PolarHBondContact O-N 2.92Å; V181-E183 PolarHBondContact O-N 3.25Å; V181-E183 VanDerWaalsContact O-N 3.11Å
182A51Low58.9Low17 Ų1793.8 Ų93.814%0.1461%0.608CS.*  trans-62.3118.6168.500000103.8M180 I187M180-A182 HydrophobicContact CG-CB 4.13Å; M180-A182 PolarHBondContact O-N 3.45Å; M180-A182 HydrophobicContact SD-CB 4.11Å; A182-I187 HydrophobicContact CB-CD1 3.75Å; A182-I187 HydrophobicContact CB-CG1 3.25Å; A182-I187 WeakPolarHBondContact O-CD1 3.04Å
183E52Low60.4Low143 Ų14392.6 Ų92.667%0.66860%0.603SS**  trans-42.6134.9175.1-162.6172.9154.100107V181 G185 T186 I187V181-E183 PolarHBondContact O-N 3.25Å; V181-E183 VanDerWaalsContact O-N 3.11Å; E183-G185 CarbonylContact O-C 3.58Å; E183-G185 PolarHBondContact O-N 3.02Å; E183-T186 PolarHBondContact O-N 3.11Å; E183-I187 PolarHBondContact O-N 3.29Å
184P56Low62.1Low112 Ų11290.3 Ų90.373%0.72759%0.59SS**Hα-helixtrans-48.6-27.2-175.3-23.224.3000113A188P184-A188 WeakPolarHBondContact O-CB 3.37Å; P184-A188 PolarHBondContact O-N 2.95Å
185G61.6Low63.8Low52 Ų5286 Ų8654%0.53657%0.574SS.*Hα-helixtrans-68.2-3617200000115.8E183 G189E183-G185 CarbonylContact O-C 3.58Å; E183-G185 PolarHBondContact O-N 3.02Å; G185-G189 PolarHBondContact O-N 3.17Å
186T60.8Low65.5Low70 Ų7087.3 Ų87.343%0.42958%0.578SS.*Hα-helixtrans-74.3-40.3179.7-36.50000111.8E183 G189 V190E183-T186 PolarHBondContact O-N 3.11Å; T186-G189 PolarHBondContact O-N 2.98Å; T186-V190 HydrophobicContact CG2-CG2 4.42Å; T186-V190 WeakPolarHBondContact O-CG2 3.25Å; T186-V190 PolarHBondContact O-N 2.88Å
187I60.1Low67.2Low105 Ų10583.9 Ų83.954%0.53856%0.561SS.*Hα-helixtrans-64.6-44.8178.1-55.1177.3000110.1A182 E183 A191A182-I187 HydrophobicContact CB-CD1 3.75Å; A182-I187 HydrophobicContact CB-CG1 3.25Å; A182-I187 WeakPolarHBondContact O-CD1 3.04Å; E183-I187 PolarHBondContact O-N 3.29Å; I187-A191 WeakPolarHBondContact O-CB 3.27Å; I187-A191 PolarHBondContact O-N 3.24Å; I187-A191 VanDerWaalsContact O-N 3.11Å
188A72Confident69.4Low55 Ų5586.3 Ų86.346%0.45556%0.558SS.*Hα-helixtrans-65.7-39.2175.300000111.8P184 S192P184-A188 WeakPolarHBondContact O-CB 3.37Å; P184-A188 PolarHBondContact O-N 2.95Å; A188-S192 VanDerWaalsContact O-CB 3.3Å; A188-S192 WeakPolarHBondContact O-CB 3.34Å; A188-S192 PolarHBondContact O-N 2.88Å; A188-S192 PolarHBondContact O-OG 2.96Å
189G81.5Confident71.6Confident39 Ų3986.8 Ų86.840%0.40255%0.551SS.*Hα-helixtrans-63.2-49.617800000112.8G185 T186 S192 A193G185-G189 PolarHBondContact O-N 3.17Å; T186-G189 PolarHBondContact O-N 2.98Å; G189-S192 PolarHBondContact O-N 2.84Å; G189-A193 WeakPolarHBondContact O-CB 3.45Å; G189-A193 PolarHBondContact O-N 3.35Å
190V81.4Confident73.6Confident84 Ų8485.5 Ų85.551%0.50954%0.538SS..Hα-helixtrans-65.2-41.8179175.70000111.1T186 S192 A193 L194T186-V190 HydrophobicContact CG2-CG2 4.42Å; T186-V190 WeakPolarHBondContact O-CG2 3.25Å; T186-V190 PolarHBondContact O-N 2.88Å; V190-S192 VanDerWaalsContact C-N 3.32Å; V190-S192 PolarHBondContact O-N 2.7Å; V190-A193 PolarHBondContact O-N 3.27Å; V190-L194 HydrophobicContact CG1-CD1 4.18Å; V190-L194 PolarHBondContact O-N 3.33Å
191A84.8Confident75.4Confident61 Ų6180 Ų8050%0.50452%0.52SS..Hα-helixtrans-61.6-41174.900000112I187 L194 A195I187-A191 WeakPolarHBondContact O-CB 3.27Å; I187-A191 PolarHBondContact O-N 3.24Å; I187-A191 VanDerWaalsContact O-N 3.11Å; A191-L194 PolarHBondContact O-N 3.41Å; A191-A195 PolarHBondContact O-N 3.24Å
192S84.1Confident77.1Confident70 Ų7077.6 Ų77.649%0.4951%0.505SS..Hα-helixtrans-67.6-41.4177.5-57.60000112A188 G189 V190 A195 M196A188-S192 VanDerWaalsContact O-CB 3.3Å; A188-S192 WeakPolarHBondContact O-CB 3.34Å; A188-S192 PolarHBondContact O-N 2.88Å; A188-S192 PolarHBondContact O-OG 2.96Å; G189-S192 PolarHBondContact O-N 2.84Å; V190-S192 VanDerWaalsContact C-N 3.32Å; V190-S192 PolarHBondContact O-N 2.7Å; S192-A195 PolarHBondContact O-N 2.72Å; S192-M196 WeakPolarHBondContact O-CG 3.44Å; S192-M196 PolarHBondContact O-N 2.89Å
193A84.6Confident78.3Confident61 Ų6180.5 Ų80.550%0.50453%0.525SS..Hα-helixtrans-62.9-42.9176.300000111.6G189 V190 M196 A197G189-A193 WeakPolarHBondContact O-CB 3.45Å; G189-A193 PolarHBondContact O-N 3.35Å; V190-A193 PolarHBondContact O-N 3.27Å; A193-M196 PolarHBondContact O-N 2.69Å; A193-A197 VanDerWaalsContact O-CB 3.27Å; A193-A197 WeakPolarHBondContact O-CB 3.32Å; A193-A197 PolarHBondContact O-N 3.37Å
194L89.7Confident79.3Confident110 Ų11077.2 Ų77.258%0.57652%0.517SS*.Hα-helixtrans-62.1-43.3174-10679.6000112V190 A191 A197 L198V190-L194 HydrophobicContact CG1-CD1 4.18Å; V190-L194 PolarHBondContact O-N 3.33Å; A191-L194 PolarHBondContact O-N 3.41Å; L194-A197 PolarHBondContact O-N 3.28Å; L194-L198 WeakPolarHBondContact O-CG 3.37Å; L194-L198 PolarHBondContact O-N 2.86Å
195A87.9Confident80.1Confident47 Ų4778.7 Ų78.739%0.38851%0.509SS..Hα-helixtrans-61.7-45.8178.500000111.9A191 S192 L198 I199A191-A195 PolarHBondContact O-N 3.24Å; S192-A195 PolarHBondContact O-N 2.72Å; A195-L198 PolarHBondContact O-N 3.01Å; A195-I199 WeakPolarHBondContact O-CG1 3.23Å; A195-I199 PolarHBondContact O-N 2.67Å
196M88.7Confident80.4Confident134 Ų13480.5 Ų80.566%0.6651%0.506SS*.Hα-helixtrans-66.3-38.1176.8-69.5-62.3169.700112.3S192 A193 L198 I199 G200S192-M196 WeakPolarHBondContact O-CG 3.44Å; S192-M196 PolarHBondContact O-N 2.89Å; A193-M196 PolarHBondContact O-N 2.69Å; M196-L198 VanDerWaalsContact C-N 3.33Å; M196-L198 PolarHBondContact O-N 3.26Å; M196-I199 PolarHBondContact O-N 2.86Å; M196-I199 HydrophobicContact SD-CD1 4.22Å; M196-G200 PolarHBondContact O-N 3.49Å
197A89.2Confident80.6Confident61 Ų6178.7 Ų78.750%0.50450%0.496SS..Hα-helixtrans-61.4-41.617500000111.8A193 L194 G200 A201A193-A197 VanDerWaalsContact O-CB 3.27Å; A193-A197 WeakPolarHBondContact O-CB 3.32Å; A193-A197 PolarHBondContact O-N 3.37Å; L194-A197 PolarHBondContact O-N 3.28Å; A197-G200 PolarHBondContact O-N 2.86Å; A197-A201 VanDerWaalsContact O-CB 3.31Å; A197-A201 WeakPolarHBondContact O-CB 3.33Å; A197-A201 PolarHBondContact O-N 3.41Å
198L89.8Confident80.6Confident116 Ų11681.2 Ų81.261%0.60750%0.5SS*.Hα-helixtrans-66.5-41.8176.2-70.2173.5000112.1L194 A195 M196 G200 A201 V202L194-L198 WeakPolarHBondContact O-CG 3.37Å; L194-L198 PolarHBondContact O-N 2.86Å; A195-L198 PolarHBondContact O-N 3.01Å; M196-L198 VanDerWaalsContact C-N 3.33Å; M196-L198 PolarHBondContact O-N 3.26Å; L198-G200 VanDerWaalsContact C-N 3.33Å; L198-G200 PolarHBondContact O-N 2.78Å; L198-A201 PolarHBondContact O-N 2.92Å; L198-V202 VanDerWaalsContact O-CG2 3.3Å; L198-V202 WeakPolarHBondContact O-CG2 3.3Å; L198-V202 PolarHBondContact O-N 3.08Å
199I84.4Confident80.2Confident109 Ų10984.1 Ų84.156%0.55950%0.504SS*.Hα-helixtrans-60.5-44.5174.7-66.5164.7000110.5A195 M196 S203A195-I199 WeakPolarHBondContact O-CG1 3.23Å; A195-I199 PolarHBondContact O-N 2.67Å; M196-I199 PolarHBondContact O-N 2.86Å; M196-I199 HydrophobicContact SD-CD1 4.22Å; I199-S203 VanDerWaalsContact O-CB 3.24Å; I199-S203 WeakPolarHBondContact O-CB 3.42Å; I199-S203 PolarHBondContact O-N 3.26Å
200G87.8Confident79Confident41 Ų4187.8 Ų87.842%0.42351%0.511SS..Hα-helixtrans-63.6-41.517600000113M196 A197 L198 S203 S204M196-G200 PolarHBondContact O-N 3.49Å; A197-G200 PolarHBondContact O-N 2.86Å; L198-G200 VanDerWaalsContact C-N 3.33Å; L198-G200 PolarHBondContact O-N 2.78Å; G200-S203 PolarHBondContact O-N 3.47Å; G200-S204 VanDerWaalsContact O-CB 3.29Å; G200-S204 WeakPolarHBondContact O-CB 2.95Å; G200-S204 PolarHBondContact O-N 3Å
201A85.9Confident77.8Confident56 Ų5693.1 Ų93.146%0.46353%0.527SS..Hα-helixtrans-67.5-41.917800000112.4A197 L198 S204 Y205A197-A201 VanDerWaalsContact O-CB 3.31Å; A197-A201 WeakPolarHBondContact O-CB 3.33Å; A197-A201 PolarHBondContact O-N 3.41Å; L198-A201 PolarHBondContact O-N 2.92Å; A201-S204 WeakPolarHBondContact O-CB 3.3Å; A201-S204 PolarHBondContact O-N 2.73Å; A201-Y205 WeakPolarHBondContact O-CB 3.05Å; A201-Y205 PolarHBondContact O-N 3.11Å
202V85Confident76.3Confident87 Ų8798.9 Ų98.953%0.52754%0.541SS..Hα-helixtrans-67-40.6175.5175.40000110.6L198 S204 Y205 I206L198-V202 VanDerWaalsContact O-CG2 3.3Å; L198-V202 WeakPolarHBondContact O-CG2 3.3Å; L198-V202 PolarHBondContact O-N 3.08Å; V202-S204 VanDerWaalsContact C-N 3.34Å; V202-S204 PolarHBondContact O-N 3.16Å; V202-Y205 PolarHBondContact O-N 2.81Å; V202-I206 HydrophobicContact CG1-CD1 4.02Å; V202-I206 WeakPolarHBondContact O-CG1 3.43Å; V202-I206 PolarHBondContact O-N 2.89Å
203S77.3Confident75Confident78 Ų78100.7 Ų100.755%0.54554%0.54SS..Hα-helixtrans-60.8-40.9172.1-177.80000112.3I199 G200 S207I199-S203 VanDerWaalsContact O-CB 3.24Å; I199-S203 WeakPolarHBondContact O-CB 3.42Å; I199-S203 PolarHBondContact O-N 3.26Å; G200-S203 PolarHBondContact O-N 3.47Å; S203-S207 PolarHBondContact O-N 3.45Å; S203-S207 VanDerWaalsContact O-N 3.13Å; S203-S207 PolarHBondContact O-OG 2.87Å
204S72.7Confident73.3Confident74 Ų74101.5 Ų101.552%0.51754%0.541SS..Hα-helixtrans-66.2-36.5174.2-176.80000112.5G200 A201 V202 S207 Y208G200-S204 VanDerWaalsContact O-CB 3.29Å; G200-S204 WeakPolarHBondContact O-CB 2.95Å; G200-S204 PolarHBondContact O-N 3Å; A201-S204 WeakPolarHBondContact O-CB 3.3Å; A201-S204 PolarHBondContact O-N 2.73Å; V202-S204 VanDerWaalsContact C-N 3.34Å; V202-S204 PolarHBondContact O-N 3.16Å; S204-S207 VanDerWaalsContact CA-OG 3.3Å; S204-S207 WeakPolarHBondContact CA-OG 3.44Å; S204-S207 PolarHBondContact O-OG 2.77Å; S204-Y208 WeakPolarHBondContact O-CB 3.34Å; S204-Y208 PolarHBondContact O-N 2.83Å
205Y72.1Confident71.4Confident142 Ų142104.6 Ų104.656%0.55755%0.55SS**Hα-helixtrans-72-38.8179.1-174.1-104.5000112.6A201 V202 S207 Y208 Q209A201-Y205 WeakPolarHBondContact O-CB 3.05Å; A201-Y205 PolarHBondContact O-N 3.11Å; V202-Y205 PolarHBondContact O-N 2.81Å; Y205-S207 VanDerWaalsContact C-N 3.35Å; Y205-Y208 WeakPolarHBondContact O-CB 3.21Å; Y205-Y208 PolarHBondContact O-N 3.49Å; Y205-Q209 HydrophobicContact CD1-CG 4.27Å; Y205-Q209 HydrophobicContact CE1-CG 3.81Å; Y205-Q209 HydrophobicContact CE2-CG 4.39Å; Y205-Q209 PolarHBondContact O-N 2.8Å; Y205-Q209 PolarHBondContact OH-NE2 3.49Å
206I68.5Low69.5Low91 Ų91104.7 Ų104.747%0.46755%0.548SS..Hα-helixtrans-65.6-40.4175.3-64.2164.4000110.4V202 Y208 Q209 Q210V202-I206 HydrophobicContact CG1-CD1 4.02Å; V202-I206 WeakPolarHBondContact O-CG1 3.43Å; V202-I206 PolarHBondContact O-N 2.89Å; I206-Y208 VanDerWaalsContact C-N 3.32Å; I206-Y208 PolarHBondContact O-N 3.42Å; I206-Q209 PolarHBondContact O-N 3.34Å; I206-Q210 WeakPolarHBondContact O-CG 3.32Å; I206-Q210 PolarHBondContact O-N 2.86Å; I206-Q210 VanDerWaalsContact O-N 3.13Å
207S65Low67.8Low31 Ų31101.9 Ų101.922%0.21754%0.535CS..Hα-helixtrans-66.7-31.7174.752.60000113.1S203 S204 Y205S203-S207 PolarHBondContact O-N 3.45Å; S203-S207 VanDerWaalsContact O-N 3.13Å; S203-S207 PolarHBondContact O-OG 2.87Å; S204-S207 VanDerWaalsContact CA-OG 3.3Å; S204-S207 WeakPolarHBondContact CA-OG 3.44Å; S204-S207 PolarHBondContact O-OG 2.77Å; Y205-S207 VanDerWaalsContact C-N 3.35Å
208Y60.3Low66Low158 Ų158106.2 Ų106.262%0.6255%0.545SS*.Hα-helixtrans-69.3-47.3172.9-177.9-102.3000112.7S204 Y205 I206 Q210 K211S204-Y208 WeakPolarHBondContact O-CB 3.34Å; S204-Y208 PolarHBondContact O-N 2.83Å; Y205-Y208 WeakPolarHBondContact O-CB 3.21Å; Y205-Y208 PolarHBondContact O-N 3.49Å; I206-Y208 VanDerWaalsContact C-N 3.32Å; I206-Y208 PolarHBondContact O-N 3.42Å; Y208-Q210 VanDerWaalsContact C-N 3.31Å; Y208-Q210 PolarHBondContact O-N 3.22Å; Y208-K211 PolarHBondContact O-N 2.84Å
209Q63.4Low64Low116 Ų116107.2 Ų107.254%0.54255%0.546SS..Hα-helixtrans-64.2-33.6-179.3-80.6-74.1-2.100112.9Y205 I206 K211Y205-Q209 HydrophobicContact CD1-CG 4.27Å; Y205-Q209 HydrophobicContact CE1-CG 3.81Å; Y205-Q209 HydrophobicContact CE2-CG 4.39Å; Y205-Q209 PolarHBondContact O-N 2.8Å; Y205-Q209 PolarHBondContact OH-NE2 3.49Å; I206-Q209 PolarHBondContact O-N 3.34Å; Q209-K211 PolarHBondContact O-N 3.09Å; Q209-K211 VanDerWaalsContact O-N 3.09Å
210Q56.1Low62.5Low117 Ų117103.4 Ų103.455%0.54753%0.534SS..THydrogen-bonded Turntrans-733.2-177.9-77.1-165.8-7.400115I206 Y208 K212I206-Q210 WeakPolarHBondContact O-CG 3.32Å; I206-Q210 PolarHBondContact O-N 2.86Å; I206-Q210 VanDerWaalsContact O-N 3.13Å; Y208-Q210 VanDerWaalsContact C-N 3.31Å; Y208-Q210 PolarHBondContact O-N 3.22Å; Q210-K212 VanDerWaalsContact O-CB 3.3Å; Q210-K212 WeakPolarHBondContact O-CB 3.41Å; Q210-K212 WeakPolarHBondContact O-CG 3.2Å; Q210-K212 PolarHBondContact O-N 2.94Å
211K56.7Low60.7Low196 Ų196106.9 Ų106.985%0.85254%0.542SS*.SBendtrans44.811.8171-95.2-173.9179.9-176.20116.9Y208 Q209Y208-K211 PolarHBondContact O-N 2.84Å; Q209-K211 PolarHBondContact O-N 3.09Å; Q209-K211 VanDerWaalsContact O-N 3.09Å
212K54.1Low59Low182 Ų182109.7 Ų109.779%0.79155%0.549SS*.SBendtrans-126.5-2.5-171.6-71.1-176.3-178.3174.20113.1Q210Q210-K212 VanDerWaalsContact O-CB 3.3Å; Q210-K212 WeakPolarHBondContact O-CB 3.41Å; Q210-K212 WeakPolarHBondContact O-CG 3.2Å; Q210-K212 PolarHBondContact O-N 2.94Å
213F54.9Low57.3Low108 Ų108107.3 Ų107.347%0.47454%0.539SS..SBendtrans-127.54.2178.7-70.6-76.1000114.9F215 S216F213-F215 PolarHBondContact O-N 2.92Å; F213-F215 VanDerWaalsContact O-N 3.11Å; F213-S216 PolarHBondContact O-N 3.38Å
214C50.1Low55.9Low78 Ų78108.8 Ų108.853%0.52754%0.54SS..THydrogen-bonded Turntrans-74.712.3175-73.50000115.6
215F50.3Low54.6Low174 Ų174115.3 Ų115.376%0.76356%0.555SS**THydrogen-bonded Turntrans-129.5-7.1171.4-158.1-95.8000113.6F213F213-F215 PolarHBondContact O-N 2.92Å; F213-F215 VanDerWaalsContact O-N 3.11Å
216S47.2Very low53.7Low50 Ų50114.6 Ų114.635%0.3557%0.566SS.*THydrogen-bonded Turntrans-93.5-12.1176.774.80000113F213 Q219 G220F213-S216 PolarHBondContact O-N 3.38Å; S216-Q219 CarbonylContact O-C 3.31Å; S216-Q219 VanDerWaalsContact O-C 3.31Å; S216-Q219 WeakPolarHBondContact O-CA 3.43Å; S216-Q219 WeakPolarHBondContact O-CB 3.38Å; S216-Q219 PolarHBondContact O-N 3.46Å; S216-G220 PolarHBondContact O-N 3.35Å
217I54.1Low52.9Low74 Ų74118.2 Ų118.238%0.37958%0.578SS.*Hα-helixtrans-81.6-18.1-175.1-61.9168.8000112.2Q219 G220 L221I217-Q219 PolarHBondContact O-N 3.17Å; I217-G220 PolarHBondContact O-N 3.4Å; I217-L221 HydrophobicContact CG2-CB 4.43Å; I217-L221 HydrophobicContact CG2-CD1 3.8Å; I217-L221 HydrophobicContact CG2-CG 4.36Å; I217-L221 PolarHBondContact O-N 3.45Å
218Q50.1Low52Low152 Ų152119.6 Ų119.671%0.7160%0.597SS**Hα-helixtrans-76-7.8162.9-64.5-177.136.300112.4N222Q218-N222 VanDerWaalsContact O-CB 3.24Å; Q218-N222 WeakPolarHBondContact O-CB 3.21Å
219Q49Very low51.2Low138 Ų138120.9 Ų120.965%0.64561%0.609SS**Hα-helixtrans-102.5-26.9160.2-72.3175.5-17.400111.5S216 I217 A223S216-Q219 CarbonylContact O-C 3.31Å; S216-Q219 VanDerWaalsContact O-C 3.31Å; S216-Q219 WeakPolarHBondContact O-CA 3.43Å; S216-Q219 WeakPolarHBondContact O-CB 3.38Å; S216-Q219 PolarHBondContact O-N 3.46Å; I217-Q219 PolarHBondContact O-N 3.17Å; Q219-A223 VanDerWaalsContact O-CA 3.26Å; Q219-A223 WeakPolarHBondContact O-CA 3.31Å; Q219-A223 WeakPolarHBondContact O-CB 3.43Å; Q219-A223 PolarHBondContact O-N 2.98Å
220G52.2Low50.2Low28 Ų28121.4 Ų121.429%0.28962%0.615SS.*Hα-helixtrans-92.8-9.2-171.800000115.6S216 I217S216-G220 PolarHBondContact O-N 3.35Å; I217-G220 PolarHBondContact O-N 3.4Å
221L50.5Low49.7Very low115 Ų115122 Ų12260%0.60262%0.621SS**THydrogen-bonded Turntrans-121.7-23.6167.4-86.4163.8000111.5I217 Y225I217-L221 HydrophobicContact CG2-CB 4.43Å; I217-L221 HydrophobicContact CG2-CD1 3.8Å; I217-L221 HydrophobicContact CG2-CG 4.36Å; I217-L221 PolarHBondContact O-N 3.45Å; L221-Y225 VanDerWaalsContact O-CB 3.3Å; L221-Y225 WeakPolarHBondContact O-CB 3.26Å; L221-Y225 PolarHBondContact O-N 3.27Å
222N48.7Very low48.7Very low114 Ų114120.6 Ų120.661%0.6162%0.618SS**THydrogen-bonded Turntrans-91.8-22.7175.1-93.9-90.8000113.3Q218Q218-N222 VanDerWaalsContact O-CB 3.24Å; Q218-N222 WeakPolarHBondContact O-CB 3.21Å
223A49.7Very low47.9Very low38 Ų38116.1 Ų116.131%0.31462%0.615SS.*THydrogen-bonded Turntrans-85.8-29.616400000111.5Q219 Y225 V226 K227Q219-A223 VanDerWaalsContact O-CA 3.26Å; Q219-A223 WeakPolarHBondContact O-CA 3.31Å; Q219-A223 WeakPolarHBondContact O-CB 3.43Å; Q219-A223 PolarHBondContact O-N 2.98Å; A223-Y225 VanDerWaalsContact C-N 3.34Å; A223-Y225 PolarHBondContact O-N 3.44Å; A223-V226 PolarHBondContact O-N 3.03Å; A223-K227 WeakPolarHBondContact O-CA 3.28Å; A223-K227 WeakPolarHBondContact O-CB 3.29Å; A223-K227 PolarHBondContact O-N 3.3Å
224D49Very low47.2Very low108 Ų108117.4 Ų117.458%0.57863%0.631SS**THydrogen-bonded Turntrans-75.3-20.3178.1-71.1-10.1000113.4G228D224-G228 WeakPolarHBondContact O-CA 3.29Å; D224-G228 PolarHBondContact O-N 2.86Å
225Y45.4Very low46.7Very low211 Ų211119.2 Ų119.283%0.82764%0.64SS**THydrogen-bonded Turntrans-92.7-8.7175.6-139.7-100.2000114.5L221 A223L221-Y225 VanDerWaalsContact O-CB 3.3Å; L221-Y225 WeakPolarHBondContact O-CB 3.26Å; L221-Y225 PolarHBondContact O-N 3.27Å; A223-Y225 VanDerWaalsContact C-N 3.34Å; A223-Y225 PolarHBondContact O-N 3.44Å
226V53Low46.3Very low128 Ų128115.5 Ų115.578%0.77663%0.634SS**THydrogen-bonded Turntrans-115-3.6175.4171.70000111.4A223A223-V226 PolarHBondContact O-N 3.03Å
227K51.2Low46.1Very low166 Ų166121.2 Ų121.272%0.72266%0.656SS**SBendtrans-136.434.5-177.4-155.9177.1-177.4-179.70111.4A223A223-K227 WeakPolarHBondContact O-CA 3.28Å; A223-K227 WeakPolarHBondContact O-CB 3.29Å; A223-K227 PolarHBondContact O-N 3.3Å
228G45.7Very low45Very low60 Ų60125.3 Ų125.362%0.61967%0.673SS**  trans-108.612.6-172.200000115.6D224 N230D224-G228 WeakPolarHBondContact O-CA 3.29Å; D224-G228 PolarHBondContact O-N 2.86Å; G228-N230 PolarHBondContact O-N 3.41Å
229E44.8Very low44.8Very low186 Ų186122.4 Ų122.487%0.86967%0.667SS**SBendtrans-82.116.5175.364.3-179.1143.900113.6
230N42.2Very low44.2Very low126 Ų126124.6 Ų124.667%0.67468%0.678SS**SBendtrans-153.6121.2-174.2-144.6-107.1000114.2G228G228-N230 PolarHBondContact O-N 3.41Å
231L44.4Very low43.3Very low129 Ų129129.3 Ų129.368%0.67570%0.7SS**  trans78.1100.7169.8-66.8146.9000115.5
232E36.7Very low42.7Very low167 Ų167132.6 Ų132.678%0.7871%0.71SS**  52.485.477.3-58.5-179132.500111.8
233A38.1Very low42Very low89 Ų89138.5 Ų138.574%0.73673%0.725SS**  trans-168.645.5149.800000109.1
234V38.9Very low41.6Very low134 Ų134142.3 Ų142.381%0.81275%0.75SS**  -32.478.783.5-174.70000113.7
235V39.2Very low41.3Very low117 Ų117143.4 Ų143.471%0.70976%0.761SS**  trans-13391.8151.61690000102.4
236C42.2Very low41.1Very low96 Ų96140.8 Ų140.865%0.64976%0.76SS**  50.5114.787.8-65.60000112.1
237E42.8Very low40.2Very low170 Ų170143 Ų14379%0.79476%0.761SS**  7.1118.4127.5-93.2-161.8146.800116.1
238E32.4Very low39.6Very low160 Ų160139.7 Ų139.775%0.74876%0.755SS**  104.2164.990.5-143.1-161.877.700111
239P44.5Very low39.4Very low91 Ų91145.5 Ų145.559%0.59177%0.766SS**  -112.5137.6-87.635.7-21.4000113.1
240Q36.1Very low39.3Very low184 Ų184141.5 Ų141.586%0.8676%0.759SS**  trans-139.791.5171-61.5-87.1-32.100111.4
241V33.4Very low39.3Very low126 Ų126139.8 Ų139.876%0.76476%0.762SS**  trans-28.4126.5145.1-87.70000113.4
242K38.5Very low39.4Very low185 Ų185142 Ų14280%0.80477%0.769SS**  trans154.189141.5-83.9163.3-173.1-1770111.8
243Y34.6Very low40.1Very low238 Ų238138.5 Ų138.593%0.93376%0.761SS**  trans-130.861.7150.7-70.6-76.7000109.6
244S41Very low40.9Very low118 Ų118140.1 Ų140.183%0.82576%0.764SS**  trans-102.196.6154.9-88.40000107.4
245T43.2Very low42.3Very low131 Ų131139.5 Ų139.580%0.80476%0.763SS**  trans-153.786.7155.58.90000108.9
246L40.4Very low43.5Very low156 Ų156139.6 Ų139.682%0.81777%0.766SS**  trans-40.2161.8139.9-88.3171.9000110.9
247H34.7Very low44.1Very low174 Ų174140.9 Ų140.981%0.80677%0.773SS**  trans78.7113.9168.1-100.481.7000113.2
248T37.5Very low44.8Very low96 Ų96141.1 Ų141.159%0.58977%0.774SS**  173.5153.355.6-66.90000109.2
249Q43Very low45.9Very low182 Ų182139.3 Ų139.385%0.8578%0.776SS**  trans73.9137.1154.9-88.8163.822.500117.2
250S41.4Very low46.6Very low103 Ų103139 Ų13972%0.7278%0.781SS**  cis-177.9133.916.4173.70000110.1
251A43.2Very low47.2Very low90 Ų90142 Ų14274%0.74478%0.784SS**  trans52.8137.7143.100000120.1
252E45.1Very low48.2Very low174 Ų174147.2 Ų147.281%0.81381%0.806SS**  cis176.7-175.217.9-147.3-168.1102.200106.7
253P51.7Low48.7Very low94 Ų94145.4 Ų145.461%0.6181%0.806SS**  cis-122.6174.9-35.615.39.8000113.7
254P54.6Low49.5Very low123 Ų123140.5 Ų140.580%0.79980%0.799SS**PPolyproline II helixtrans-99.6150-171.737.5-31.3000115.5
255P68Low50Low122 Ų122141.7 Ų141.779%0.79280%0.798SS**PPolyproline II helixtrans-95161.416633.3-30000114.3
256P64.3Low50.3Low119 Ų119142.4 Ų142.477%0.77380%0.797SS**PPolyproline II helixtrans-92.1167-137.435.5-38000117.4
257P56.1Low51Low122 Ų122141.5 Ų141.579%0.79280%0.796SS**PPolyproline II helixtrans-92.9140.9-179.236.2-29.8000112.7
258E56.8Low52Low176 Ų176139.3 Ų139.382%0.82280%0.795SS**  trans157.7155.8143.8-94.9-170-174.700111.9
259P56Low53.1Low122 Ų122142.4 Ų142.479%0.79281%0.81SS**  cis-134.2152.635.734.5-13.4000118.1
260A59.5Low53.9Low83 Ų83139.4 Ų139.469%0.68681%0.807SS**  trans-60.2140.2171.200000112.4
261R47.7Very low54.9Low247 Ų247142.4 Ų142.493%0.93281%0.814SS**  trans-65127.2162.9-92.6-164.8-84.7-132.4-2.7109.5
262I55.9Low56Low237 Ų237147.2 Ų147.2100%1.21582%0.821SS**  trans-81.40155-50.4173.6000107.4

Retrieved 262 of 262 residues in 216.1 ms (Link to these results)