A0A077Z4V5_TRITR Loading...

Ornithine aminotransferase

AlphaFold DB , UniProt , Accession A0A077Z4V5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 423 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M31.9Very low34.5Very low212 Ų212148.4 Ų148.4100%1.04471%0.707SS**  097.60-125.7179.1-176.700106.9
2I30Very low35.4Very low158 Ų158140.3 Ų140.381%0.8167%0.671SS**  trans-84130.1-173.4-71.6169.7000108
3F32Very low36.1Very low177 Ų177139.1 Ų139.178%0.77666%0.664SS**  trans51.196.5174.6-77.2-88.3000117.8
4R30.3Very low36.8Very low231 Ų231140.9 Ų140.987%0.87266%0.662SS**SBendtrans-106.34.2163.4-109.6-173.5178.5-173.1-0.4115.8
5C35.8Very low37.8Very low130 Ų130135 Ų13588%0.87864%0.64SS**SBendtrans-111.132.1157.2-151.30000111M7C5-M7 PolarHBondContact O-N 3.35Å
6G31.8Very low38.9Very low40 Ų40129.1 Ų129.141%0.41261%0.61SS.*  trans-84.185.9169.700000109.1K8G6-K8 VanDerWaalsContact C-N 3.28Å; G6-K8 PolarHBondContact O-N 3.41Å
7M36.1Very low39.8Very low81 Ų81131.3 Ų131.340%0.39961%0.611SS.*  trans-57.2105.2153.6-148.4169.58300104.8C5 F9 N11 L12 V15C5-M7 PolarHBondContact O-N 3.35Å; M7-F9 PolarHBondContact O-N 3.34Å; M7-F9 VanDerWaalsContact O-N 3.13Å; M7-N11 HydrophobicContact CG-CB 4.12Å; M7-L12 HydrophobicContact CB-CD1 4.11Å; M7-L12 HydrophobicContact CE-CB 4.27Å; M7-L12 HydrophobicContact CE-CD1 3.83Å; M7-L12 HydrophobicContact CE-CG 3.66Å; M7-V15 HydrophobicContact CE-CB 4.3Å; M7-V15 HydrophobicContact CE-CG2 3.89Å; M7-V15 HydrophobicContact SD-CG2 4.39Å
8K33Very low40.9Very low165 Ų165136.6 Ų136.672%0.71762%0.624SS**  trans-43.9126.9-178-77.2-179.7175.7177.50107.5G6 R10 N11G6-K8 VanDerWaalsContact C-N 3.28Å; G6-K8 PolarHBondContact O-N 3.41Å; K8-R10 PolarHBondContact O-N 3.43Å; K8-N11 WeakPolarHBondContact O-CA 3.25Å; K8-N11 VanDerWaalsContact O-CB 3.29Å; K8-N11 WeakPolarHBondContact O-CB 3.5Å; K8-N11 PolarHBondContact O-N 3.24Å
9F43.3Very low41.9Very low144 Ų144131.8 Ų131.863%0.63260%0.601SS**Hα-helixtrans-51.6-26.9-172.3-88.8-93.6000114.6M7 N11 L12M7-F9 PolarHBondContact O-N 3.34Å; M7-F9 VanDerWaalsContact O-N 3.13Å; F9-N11 VanDerWaalsContact C-N 3.28Å; F9-N11 PolarHBondContact O-N 3.34Å; F9-L12 PolarHBondContact O-N 3.22Å
10R34.8Very low42.8Very low212 Ų212127.3 Ų127.380%0.858%0.582SS**Hα-helixtrans-63.2-28170.2-75.9-173.6175.8-169.1-0.9114.3K8K8-R10 PolarHBondContact O-N 3.43Å
11N40.9Very low44.2Very low82 Ų82123.5 Ų123.544%0.43957%0.568SS.*Hα-helixtrans-78-27.1174.8-73.5-2.6000112.9M7 K8 F9 Q13 Y14 V15M7-N11 HydrophobicContact CG-CB 4.12Å; K8-N11 WeakPolarHBondContact O-CA 3.25Å; K8-N11 VanDerWaalsContact O-CB 3.29Å; K8-N11 WeakPolarHBondContact O-CB 3.5Å; K8-N11 PolarHBondContact O-N 3.24Å; F9-N11 VanDerWaalsContact C-N 3.28Å; F9-N11 PolarHBondContact O-N 3.34Å; N11-Q13 VanDerWaalsContact C-N 3.3Å; N11-Q13 PolarHBondContact O-N 3.34Å; N11-Y14 PolarHBondContact O-N 3.05Å; N11-Y14 VanDerWaalsContact O-N 3.09Å; N11-V15 WeakPolarHBondContact O-CG2 3.33Å; N11-V15 PolarHBondContact O-N 2.73Å
12L44.5Very low46.3Very low51 Ų51118.4 Ų118.427%0.26755%0.549SS..Hα-helixtrans-59.1-45.2172.8-90.690.7000110.2M7 F9 Y14 V15 Y16M7-L12 HydrophobicContact CB-CD1 4.11Å; M7-L12 HydrophobicContact CE-CB 4.27Å; M7-L12 HydrophobicContact CE-CD1 3.83Å; M7-L12 HydrophobicContact CE-CG 3.66Å; F9-L12 PolarHBondContact O-N 3.22Å; L12-Y14 VanDerWaalsContact C-N 3.26Å; L12-Y14 PolarHBondContact O-N 3.43Å; L12-V15 PolarHBondContact O-N 2.74Å; L12-Y16 HydrophobicContact CB-CD2 4.17Å; L12-Y16 HydrophobicContact CB-CE2 3.91Å; L12-Y16 HydrophobicContact CD2-CE2 3.73Å; L12-Y16 HydrophobicContact CG-CE2 4.06Å; L12-Y16 WeakPolarHBondContact O-CB 2.98Å; L12-Y16 WeakPolarHBondContact O-CD2 3.37Å; L12-Y16 VanDerWaalsContact O-CG 3.27Å; L12-Y16 PolarHBondContact O-N 2.72Å
13Q44.3Very low48.9Very low125 Ų125116.7 Ų116.758%0.58454%0.536SS*.Hα-helixtrans-58.2-37.8174.1-75.9-176-31.900112.6N11 R17N11-Q13 VanDerWaalsContact C-N 3.3Å; N11-Q13 PolarHBondContact O-N 3.34Å; Q13-R17 WeakPolarHBondContact O-CG 3.42Å; Q13-R17 PolarHBondContact O-N 2.66Å
14Y46.7Very low51.7Low164 Ų164108.5 Ų108.564%0.64350%0.5SS*.Hα-helixtrans-71.8-40.6-178.6-117.7-87.4000113.2N11 L12N11-Y14 PolarHBondContact O-N 3.05Å; N11-Y14 VanDerWaalsContact O-N 3.09Å; L12-Y14 VanDerWaalsContact C-N 3.26Å; L12-Y14 PolarHBondContact O-N 3.43Å
15V52.1Low54.6Low53 Ų53100.8 Ų100.832%0.32147%0.474SS..Hα-helixtrans-68.6-39.2176.7177.40000110.3M7 N11 L12 R17 Y19 L378M7-V15 HydrophobicContact CE-CB 4.3Å; M7-V15 HydrophobicContact CE-CG2 3.89Å; M7-V15 HydrophobicContact SD-CG2 4.39Å; N11-V15 WeakPolarHBondContact O-CG2 3.33Å; N11-V15 PolarHBondContact O-N 2.73Å; L12-V15 PolarHBondContact O-N 2.74Å; V15-R17 PolarHBondContact O-N 3.32Å; V15-Y19 WeakPolarHBondContact O-CD2 3.3Å; V15-L378 HydrophobicContact CG1-CD1 4.02Å
16Y54.7Low57.3Low41 Ų41101.7 Ų101.716%0.16146%0.463CS..Hα-helixtrans-72.7-26.1-178.6-64.2-43000114.2L12 R18 Y19 L20 P43L12-Y16 HydrophobicContact CB-CD2 4.17Å; L12-Y16 HydrophobicContact CB-CE2 3.91Å; L12-Y16 HydrophobicContact CD2-CE2 3.73Å; L12-Y16 HydrophobicContact CG-CE2 4.06Å; L12-Y16 WeakPolarHBondContact O-CB 2.98Å; L12-Y16 WeakPolarHBondContact O-CD2 3.37Å; L12-Y16 VanDerWaalsContact O-CG 3.27Å; L12-Y16 PolarHBondContact O-N 2.72Å; Y16-R18 PolarHBondContact O-N 3.44Å; Y16-Y19 WeakPolarHBondContact O-CA 3.41Å; Y16-Y19 PolarHBondContact O-N 2.82Å; Y16-L20 WeakPolarHBondContact O-CG 3.42Å; Y16-L20 PolarHBondContact O-N 3.42Å; Y16-P43 HydrophobicContact CD1-CB 3.26Å; Y16-P43 HydrophobicContact CD1-CG 3.54Å; Y16-P43 HydrophobicContact CE1-CB 3.41Å; Y16-P43 VanDerWaalsContact CE1-CB 3.41Å; Y16-P43 HydrophobicContact CE1-CG 3.58Å; Y16-P43 HydrophobicContact CG-CB 4.18Å
17R55Low60.3Low166 Ų166102.2 Ų102.263%0.62646%0.456SS*.THydrogen-bonded Turntrans-49.5-27.2-178.2-92.6179.8-178.8-167.50.8115.6Q13 V15Q13-R17 WeakPolarHBondContact O-CG 3.42Å; Q13-R17 PolarHBondContact O-N 2.66Å; V15-R17 PolarHBondContact O-N 3.32Å
18R58.8Low63.1Low226 Ų226100.3 Ų100.385%0.85345%0.445SS*.THydrogen-bonded Turntrans-76.3-23.2175-70.8-175.2176-179.9-0.7114.4Y16Y16-R18 PolarHBondContact O-N 3.44Å
19Y60.2Low66Low47 Ų4798 Ų9818%0.18444%0.437CS..THydrogen-bonded Turntrans-99.6-7.7-178.5-57.8-82.1000113.3V15 Y16 P43 L378 E382V15-Y19 WeakPolarHBondContact O-CD2 3.3Å; Y16-Y19 WeakPolarHBondContact O-CA 3.41Å; Y16-Y19 PolarHBondContact O-N 2.82Å; Y19-P43 HydrophobicContact CD1-CG 4.21Å; Y19-P43 HydrophobicContact CD2-CG 3.9Å; Y19-P43 HydrophobicContact CG-CB 4.37Å; Y19-P43 HydrophobicContact CG-CG 3.75Å; Y19-L378 HydrophobicContact CE2-CD1 4.4Å; Y19-L378 HydrophobicContact CE2-CD2 4.27Å; Y19-L378 WeakPolarHBondContact OH-CB 3.41Å; Y19-E382 HydrophobicContact CE1-CG 3.52Å; Y19-E382 WeakPolarHBondContact CE1-OE1 3.43Å; Y19-E382 VanDerWaalsContact CZ-OE1 3.24Å; Y19-E382 PolarHBondContact OH-OE1 3.32Å
20L60.2Low68.5Low41 Ų4199 Ų9922%0.21544%0.437CS..  trans-90.5123-168-77.8173.5000111.5Y16 E25 F28Y16-L20 WeakPolarHBondContact O-CG 3.42Å; Y16-L20 PolarHBondContact O-N 3.42Å; L20-E25 HydrophobicContact CB-CG 3.51Å; L20-E25 WeakPolarHBondContact CB-OE1 3.1Å; L20-E25 HydrophobicContact CD1-CG 3.8Å; L20-E25 HydrophobicContact CD2-CB 4.23Å; L20-E25 HydrophobicContact CD2-CG 3.36Å; L20-E25 HydrophobicContact CG-CG 3.65Å; L20-F28 HydrophobicContact CD2-CD2 3.37Å; L20-F28 HydrophobicContact CD2-CE2 3.54Å
21T72.8Confident71.4Confident47 Ų4794.4 Ų94.429%0.28842%0.424SS..  trans-104.1163.3159.9680000108.1K23 S24 E25 D58T21-K23 PolarHBondContact O-N 3.34Å; T21-K23 PolarHBondContact OG1-N 2.7Å; T21-S24 PolarHBondContact N-OG 3.33Å; T21-S24 PolarHBondContact O-N 3.01Å; T21-S24 PolarHBondContact O-OG 3.45Å; T21-S24 PolarHBondContact OG1-N 3.34Å; T21-S24 PolarHBondContact OG1-OG 3.13Å; T21-E25 WeakPolarHBondContact O-CB 3.32Å; T21-E25 VanDerWaalsContact O-CG 3.31Å; T21-E25 WeakPolarHBondContact O-CG 3.24Å; T21-E25 PolarHBondContact O-N 2.87Å; T21-D58 WeakPolarHBondContact CB-OD2 3.31Å; T21-D58 HydrophobicContact CG2-CB 4.4Å; T21-D58 VanDerWaalsContact CG2-CG 3.44Å; T21-D58 WeakPolarHBondContact CG2-OD2 3.44Å; T21-D58 PolarHBondContact OG1-OD1 3.49Å; T21-D58 PolarHBondContact OG1-OD2 3.13Å
22T74.6Confident73.9Confident105 Ų10595 Ų9564%0.64443%0.427SS*.Hα-helixtrans-58.9-19175.857.10000113.2K26T22-K26 WeakPolarHBondContact O-CG 3.33Å
23K85.2Confident76.4Confident123 Ų123101.7 Ų101.754%0.53545%0.449SS..Hα-helixtrans-81.2-52.9174.1-69.3-178.1-178.3173.10111.9T21 K26 I27 V57T21-K23 PolarHBondContact O-N 3.34Å; T21-K23 PolarHBondContact OG1-N 2.7Å; K23-K26 PolarHBondContact O-N 3.03Å; K23-I27 PolarHBondContact O-N 3.47Å; K23-V57 HydrophobicContact CB-CG2 4.19Å
24S90.3Very high78.9Confident4 Ų4103.5 Ų103.53%0.02845%0.451CS..Hα-helixtrans-67.3-36.4-177.460.10000112T21 K26 I27 F28T21-S24 PolarHBondContact N-OG 3.33Å; T21-S24 PolarHBondContact O-N 3.01Å; T21-S24 PolarHBondContact O-OG 3.45Å; T21-S24 PolarHBondContact OG1-N 3.34Å; T21-S24 PolarHBondContact OG1-OG 3.13Å; S24-K26 PolarHBondContact O-N 3.38Å; S24-I27 WeakPolarHBondContact O-CB 3.4Å; S24-I27 PolarHBondContact O-N 3.19Å; S24-I27 VanDerWaalsContact O-N 3.13Å; S24-F28 VanDerWaalsContact O-CD2 3.28Å; S24-F28 WeakPolarHBondContact O-CD2 3.47Å; S24-F28 WeakPolarHBondContact O-CG 3.35Å; S24-F28 PolarHBondContact O-N 2.89Å
25E90.7Very high81.3Confident69 Ų6997.2 Ų97.232%0.32244%0.437SS..Hα-helixtrans-52.5-52.6173.9-78.4178.1161.500112.4L20 T21 I27 F28 E29L20-E25 HydrophobicContact CB-CG 3.51Å; L20-E25 WeakPolarHBondContact CB-OE1 3.1Å; L20-E25 HydrophobicContact CD1-CG 3.8Å; L20-E25 HydrophobicContact CD2-CB 4.23Å; L20-E25 HydrophobicContact CD2-CG 3.36Å; L20-E25 HydrophobicContact CG-CG 3.65Å; T21-E25 WeakPolarHBondContact O-CB 3.32Å; T21-E25 VanDerWaalsContact O-CG 3.31Å; T21-E25 WeakPolarHBondContact O-CG 3.24Å; T21-E25 PolarHBondContact O-N 2.87Å; E25-I27 PolarHBondContact O-N 3.32Å; E25-F28 PolarHBondContact O-N 2.81Å; E25-E29 WeakPolarHBondContact O-CB 3.22Å; E25-E29 WeakPolarHBondContact O-CG 3.38Å; E25-E29 PolarHBondContact O-N 2.88Å
26K93.5Very high83.3Confident149 Ų14998.4 Ų98.465%0.64845%0.452SS*.Hα-helixtrans-61.4-33.7-178.9-70.8178.7-177179.30112.4T22 K23 S24 R30T22-K26 WeakPolarHBondContact O-CG 3.33Å; K23-K26 PolarHBondContact O-N 3.03Å; S24-K26 PolarHBondContact O-N 3.38Å; K26-R30 VanDerWaalsContact O-CB 3.25Å; K26-R30 WeakPolarHBondContact O-CB 3.48Å; K26-R30 PolarHBondContact O-N 3.25Å; K26-R30 VanDerWaalsContact O-N 3.13Å
27I95.1Very high85.1Confident51 Ų51102.2 Ų102.226%0.26247%0.471SS..Hα-helixtrans-69.3-48.7177.9-66.4170000109.9K23 S24 E25 R30 E31 A45 V57K23-I27 PolarHBondContact O-N 3.47Å; S24-I27 WeakPolarHBondContact O-CB 3.4Å; S24-I27 PolarHBondContact O-N 3.19Å; S24-I27 VanDerWaalsContact O-N 3.13Å; E25-I27 PolarHBondContact O-N 3.32Å; I27-R30 PolarHBondContact O-N 3.11Å; I27-E31 PolarHBondContact O-N 3.47Å; I27-A45 HydrophobicContact CB-CB 4.4Å; I27-A45 HydrophobicContact CD1-CB 3.9Å; I27-A45 HydrophobicContact CG2-CB 4.05Å; I27-V57 HydrophobicContact CD1-CB 4.29Å; I27-V57 HydrophobicContact CD1-CG1 3.6Å; I27-V57 HydrophobicContact CD1-CG2 4.12Å
28F94.2Very high86.9Confident41 Ų4199.5 Ų99.518%0.1847%0.469CS..Hα-helixtrans-65.9-42.1-179.9-54.7-28.6000112.1L20 S24 E25 R30 E31 L32 P43 A45L20-F28 HydrophobicContact CD2-CD2 3.37Å; L20-F28 HydrophobicContact CD2-CE2 3.54Å; S24-F28 VanDerWaalsContact O-CD2 3.28Å; S24-F28 WeakPolarHBondContact O-CD2 3.47Å; S24-F28 WeakPolarHBondContact O-CG 3.35Å; S24-F28 PolarHBondContact O-N 2.89Å; E25-F28 PolarHBondContact O-N 2.81Å; F28-R30 VanDerWaalsContact C-N 3.31Å; F28-R30 PolarHBondContact O-N 2.81Å; F28-E31 PolarHBondContact O-N 2.85Å; F28-L32 WeakPolarHBondContact O-CB 3.46Å; F28-L32 PolarHBondContact O-N 3.32Å; F28-P43 HydrophobicContact CE2-CB 4.19Å; F28-P43 VanDerWaalsContact CZ-C 3.41Å; F28-P43 HydrophobicContact CZ-CB 4.4Å; F28-A45 HydrophobicContact CE1-CB 3.73Å; F28-A45 HydrophobicContact CZ-CB 4.16Å
29E94.7Very high88.4Confident117 Ų11796.4 Ų96.455%0.54746%0.459SS..Hα-helixtrans-62.2-39.4176-74.7-177.4166.800112.1E25 L32 R33E25-E29 WeakPolarHBondContact O-CB 3.22Å; E25-E29 WeakPolarHBondContact O-CG 3.38Å; E25-E29 PolarHBondContact O-N 2.88Å; E29-L32 PolarHBondContact O-N 3.27Å; E29-R33 VanDerWaalsContact O-CB 3.25Å; E29-R33 WeakPolarHBondContact O-CB 3.47Å; E29-R33 PolarHBondContact O-N 2.94Å
30R95.5Very high89.8Confident165 Ų16596.5 Ų96.562%0.62347%0.474SS*.Hα-helixtrans-64-48.3176.8-173.5178.267.1176.61.2110.9K26 I27 F28 R33 Y34K26-R30 VanDerWaalsContact O-CB 3.25Å; K26-R30 WeakPolarHBondContact O-CB 3.48Å; K26-R30 PolarHBondContact O-N 3.25Å; K26-R30 VanDerWaalsContact O-N 3.13Å; I27-R30 PolarHBondContact O-N 3.11Å; F28-R30 VanDerWaalsContact C-N 3.31Å; F28-R30 PolarHBondContact O-N 2.81Å; R30-R33 PolarHBondContact O-N 2.98Å; R30-Y34 HydrophobicContact CG-CD2 3.75Å; R30-Y34 HydrophobicContact CG-CE2 4.08Å; R30-Y34 WeakPolarHBondContact O-CD2 3.33Å; R30-Y34 PolarHBondContact O-N 3.35Å
31E95.6Very high91.3Very high116 Ų11697.6 Ų97.654%0.54248%0.483SS..Hα-helixtrans-64.5-42.4177.1-173.1174.8-178.200111.7I27 F28 R33 Y34 G35I27-E31 PolarHBondContact O-N 3.47Å; F28-E31 PolarHBondContact O-N 2.85Å; E31-R33 VanDerWaalsContact C-N 3.26Å; E31-R33 PolarHBondContact O-N 2.59Å; E31-Y34 PolarHBondContact O-N 2.99Å; E31-G35 VanDerWaalsContact O-CA 3.28Å; E31-G35 WeakPolarHBondContact O-CA 3.29Å; E31-G35 PolarHBondContact O-N 3.27Å
32L94.1Very high92.3Very high95 Ų9596.4 Ų96.450%0.49748%0.475SS..Hα-helixtrans-59.3-37.8176.5-178.467.2000112.3F28 E29 H37F28-L32 WeakPolarHBondContact O-CB 3.46Å; F28-L32 PolarHBondContact O-N 3.32Å; E29-L32 PolarHBondContact O-N 3.27Å; L32-H37 PolarHBondContact O-NE2 2.75Å
33R96.4Very high93.3Very high190 Ų19091.8 Ų91.872%0.71745%0.447SS*.Hα-helixtrans-77.6-39.1-178.4-178.9173.1176.8175.8-1.3113.3E29 R30 E31E29-R33 VanDerWaalsContact O-CB 3.25Å; E29-R33 WeakPolarHBondContact O-CB 3.47Å; E29-R33 PolarHBondContact O-N 2.94Å; R30-R33 PolarHBondContact O-N 2.98Å; E31-R33 VanDerWaalsContact C-N 3.26Å; E31-R33 PolarHBondContact O-N 2.59Å
34Y97.3Very high93.8Very high163 Ų16387.1 Ų87.164%0.63943%0.429SS*.Hα-helixtrans-112.4-17.1-168.4-59.7-66.3000114.3R30 E31R30-Y34 HydrophobicContact CG-CD2 3.75Å; R30-Y34 HydrophobicContact CG-CE2 4.08Å; R30-Y34 WeakPolarHBondContact O-CD2 3.33Å; R30-Y34 PolarHBondContact O-N 3.35Å; E31-Y34 PolarHBondContact O-N 2.99Å
35G95.6Very high94.1Very high33 Ų3387.5 Ų87.534%0.3443%0.432SS..SBendtrans-92.3160.6179.500000113.3E31 H37E31-G35 VanDerWaalsContact O-CA 3.28Å; E31-G35 WeakPolarHBondContact O-CA 3.29Å; E31-G35 PolarHBondContact O-N 3.27Å; G35-H37 PolarHBondContact O-CD2 3.19Å
36A95Very high94.4Very high78 Ų7888.4 Ų88.465%0.64544%0.438SS*.  trans-72.5145167.400000110.4N38A36-N38 WeakPolarHBondContact CB-OD1 3.38Å; A36-N38 PolarHBondContact O-N 2.87Å; A36-N38 VanDerWaalsContact O-N 3.13Å; A36-N38 PolarHBondContact O-OD1 3.41Å; A36-N38 VanDerWaalsContact O-OD1 3.1Å
37H93.5Very high94.6Very high120 Ų12086.2 Ų86.256%0.55644%0.438SS*.SBendtrans-89.945.3-177.9-58.6172.9000111.9L32 G35L32-H37 PolarHBondContact O-NE2 2.75Å; G35-H37 PolarHBondContact O-CD2 3.19Å
38N92.6Very high94.7Very high110 Ų11089.1 Ų89.159%0.58845%0.448SS*.  trans-92.7-3.3-175.362.9-63.1000114A36A36-N38 WeakPolarHBondContact CB-OD1 3.38Å; A36-N38 PolarHBondContact O-N 2.87Å; A36-N38 VanDerWaalsContact O-N 3.13Å; A36-N38 PolarHBondContact O-OD1 3.41Å; A36-N38 VanDerWaalsContact O-OD1 3.1Å
39Y89.5Confident94.9Very high161 Ų16187.9 Ų87.963%0.63145%0.447SS*.  trans-128148173-72-78.3000111P41Y39-P41 WeakPolarHBondContact O-CD 3.44Å
40G89Confident95.1Very high49 Ų4987.8 Ų87.851%0.50545%0.447SS..  trans-109.387.8166.100000110
41P93.3Very high95.2Very high63 Ų6380.9 Ų80.941%0.40943%0.427SS..  trans-76.3157.6-176.831.5-35.3000112.2Y39Y39-P41 WeakPolarHBondContact O-CD 3.44Å
42L93.6Very high95.4Very high22 Ų2275.5 Ų75.512%0.11540%0.402CS..  trans-61148.5160.3-71.3170.4000108.8V44 W374 C377 L378 L386L42-V44 HydrophobicContact CB-CG2 4.31Å; L42-V44 PolarHBondContact O-N 3.23Å; L42-W374 HydrophobicContact CD2-CH2 3.75Å; L42-W374 HydrophobicContact CD2-CZ2 4.34Å; L42-W374 HydrophobicContact CD2-CZ3 3.86Å; L42-W374 HydrophobicContact CG-CH2 4.3Å; L42-W374 HydrophobicContact CG-CZ3 4.48Å; L42-C377 HydrophobicContact CD2-CB 4.13Å; L42-L378 HydrophobicContact CD2-CD2 4.17Å; L42-L386 HydrophobicContact CD1-CD2 4.08Å
43P94.1Very high95.6Very high9 Ų972.2 Ų72.26%0.05838%0.384CS..SBendtrans-76.258.8177.132.4-34.2000112.1Y16 Y19 F28 L378Y16-P43 HydrophobicContact CD1-CB 3.26Å; Y16-P43 HydrophobicContact CD1-CG 3.54Å; Y16-P43 HydrophobicContact CE1-CB 3.41Å; Y16-P43 VanDerWaalsContact CE1-CB 3.41Å; Y16-P43 HydrophobicContact CE1-CG 3.58Å; Y16-P43 HydrophobicContact CG-CB 4.18Å; Y19-P43 HydrophobicContact CD1-CG 4.21Å; Y19-P43 HydrophobicContact CD2-CG 3.9Å; Y19-P43 HydrophobicContact CG-CB 4.37Å; Y19-P43 HydrophobicContact CG-CG 3.75Å; F28-P43 HydrophobicContact CE2-CB 4.19Å; F28-P43 VanDerWaalsContact CZ-C 3.41Å; F28-P43 HydrophobicContact CZ-CB 4.4Å; P43-L378 HydrophobicContact CG-CD2 3.88Å
44V95.7Very high95.7Very high25 Ų2563.3 Ų63.315%0.15235%0.35CS..  trans-132.7114.4-178.6-178.10000108.2L42 L46 D56 Y62 A381 L386L42-V44 HydrophobicContact CB-CG2 4.31Å; L42-V44 PolarHBondContact O-N 3.23Å; V44-L46 HydrophobicContact CG1-CD2 3.69Å; V44-L46 HydrophobicContact CG1-CG 4.25Å; V44-D56 HydrophobicContact CG1-CB 4.09Å; V44-Y62 HydrophobicContact CG1-CE1 4.37Å; V44-Y62 HydrophobicContact CG1-CE2 4.03Å; V44-Y62 HydrophobicContact CG2-CE1 4.46Å; V44-A381 HydrophobicContact CG2-CB 4.3Å; V44-L386 HydrophobicContact CB-CD2 4.47Å; V44-L386 HydrophobicContact CG1-CD1 4.43Å; V44-L386 HydrophobicContact CG1-CD2 4.37Å; V44-L386 HydrophobicContact CG2-CD2 4.01Å
45A96.5Very high95.8Very high11 Ų1158 Ų589%0.09133%0.329CS..  trans-94.6101.517600000109.7I27 F28 D56 V57I27-A45 HydrophobicContact CB-CB 4.4Å; I27-A45 HydrophobicContact CD1-CB 3.9Å; I27-A45 HydrophobicContact CG2-CB 4.05Å; F28-A45 HydrophobicContact CE1-CB 3.73Å; F28-A45 HydrophobicContact CZ-CB 4.16Å; A45-D56 CarbonylContact O-C 3.52Å; A45-D56 WeakPolarHBondContact O-CA 3.4Å; A45-D56 VanDerWaalsContact O-CB 3.3Å; A45-D56 WeakPolarHBondContact O-CB 3.5Å; A45-V57 HydrophobicContact CB-CG1 4.13Å; A45-V57 HydrophobicContact CB-CG2 3.96Å; A45-V57 WeakPolarHBondContact O-CG1 3.5Å; A45-V57 PolarHBondContact O-N 3.37Å
46L97.3Very high95.9Very high88 Ų8857.1 Ų57.146%0.46132%0.317SS..EExtended strand (participates in β ladder)trans-78.6141.3-179.7-61.3178.7000112.1V44 V54 W55 Y62 L386V44-L46 HydrophobicContact CG1-CD2 3.69Å; V44-L46 HydrophobicContact CG1-CG 4.25Å; L46-V54 HydrophobicContact CD1-CB 4.06Å; L46-V54 HydrophobicContact CD1-CG1 4.27Å; L46-V54 HydrophobicContact CD1-CG2 3.83Å; L46-V54 HydrophobicContact CD2-CB 3.88Å; L46-V54 HydrophobicContact CD2-CG2 3.54Å; L46-V54 HydrophobicContact CG-CG2 4.33Å; L46-W55 WeakPolarHBondContact CA-O 3.43Å; L46-Y62 HydrophobicContact CD2-CD2 4.48Å; L46-L386 HydrophobicContact CD1-CD1 4.17Å; L46-L386 HydrophobicContact CD2-CD1 4.06Å
47T97.3Very high96Very high103 Ų10354.9 Ų54.963%0.63230%0.295SS*.EExtended strand (participates in β ladder)trans-128.7-14.1177.8-168.60000114.2W55 D56 V57T47-W55 PolarHBondContact N-O 3.18Å; T47-D56 WeakPolarHBondContact CG2-O 3.4Å; T47-V57 HydrophobicContact CG2-CG1 4.43Å
48K98.2Very high96Very high112 Ų11252.2 Ų52.249%0.48729%0.285SS..EExtended strand (participates in β ladder)trans-147.8142-178.6-178.8-177.3176.4-174.90110.1V54 W55K48-V54 CarbonylContact O-C 3.42Å; K48-V54 WeakPolarHBondContact O-CA 3.44Å; K48-V54 WeakPolarHBondContact O-CB 3.49Å; K48-W55 HydrophobicContact CB-CB 4.28Å; K48-W55 HydrophobicContact CB-CE3 4.17Å; K48-W55 HydrophobicContact CD-CD2 4.33Å; K48-W55 HydrophobicContact CD-CE3 3.96Å; K48-W55 HydrophobicContact CD-CZ3 4.41Å; K48-W55 HydrophobicContact CG-CE3 3.87Å; K48-W55 HydrophobicContact CG-CZ3 4.37Å; K48-W55 PolarHBondContact N-O 2.94Å; K48-W55 PolarHBondContact O-N 3.16Å
49G98.4Very high96.2Very high15 Ų1549.5 Ų49.516%0.15528%0.283CS..EExtended strand (participates in β ladder)trans-130143.9168.700000110.8F53G49-F53 CarbonylContact C-O 3.48Å; G49-F53 WeakPolarHBondContact CA-O 3.44Å
50Q98.5Very high96.6Very high115 Ų11545.7 Ų45.754%0.53727%0.269SS..EExtended strand (participates in β ladder)trans-155.8120.1172.8-175.2-179.7-7.600109.9V52 F53 W55 H76Q50-V52 PolarHBondContact O-N 3.15Å; Q50-F53 PolarHBondContact N-O 3.12Å; Q50-F53 PolarHBondContact O-N 3.36Å; Q50-W55 HydrophobicContact CB-CH2 3.98Å; Q50-W55 HydrophobicContact CB-CZ3 3.73Å; Q50-H76 VanDerWaalsContact N-CB 3.31Å
51G98.5Very high97Very high20 Ų2048 Ų4821%0.20627%0.265CS..BIsolated β-bridgetrans60.6-121.9-179.400000111.7F53 G75 H76G51-F53 VanDerWaalsContact C-N 3.32Å; G51-G75 CarbonylContact O-C 3.59Å; G51-G75 VanDerWaalsContact O-CA 3.31Å; G51-G75 WeakPolarHBondContact O-CA 3.4Å; G51-H76 PolarHBondContact N-O 3.49Å; G51-H76 PolarHBondContact O-CD2 3.19Å; G51-H76 PolarHBondContact O-N 2.73Å
52V98.7Very high97.3Very high4 Ų445.4 Ų45.42%0.02425%0.248CC..THydrogen-bonded Turntrans-88.21.6177.1-55.80000114.3Q50 F63 D64 P400 I402 I403Q50-V52 PolarHBondContact O-N 3.15Å; V52-F63 HydrophobicContact CG2-CD1 4.14Å; V52-F63 HydrophobicContact CG2-CE1 4.26Å; V52-D64 PolarHBondContact O-N 2.88Å; V52-P400 HydrophobicContact CG1-CB 4.19Å; V52-P400 HydrophobicContact CG1-CG 4.43Å; V52-I402 HydrophobicContact CG1-CD1 4.41Å; V52-I402 HydrophobicContact CG1-CG1 3.91Å; V52-I403 HydrophobicContact CG1-CB 3.76Å; V52-I403 HydrophobicContact CG1-CG1 4.13Å
53F98.8Very high97.5Very high25 Ų2544.7 Ų44.711%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-114150.5-171.6-60-68.3000112.8G49 Q50 G51 W55 K61 Y62 F63 Q407G49-F53 CarbonylContact C-O 3.48Å; G49-F53 WeakPolarHBondContact CA-O 3.44Å; Q50-F53 PolarHBondContact N-O 3.12Å; Q50-F53 PolarHBondContact O-N 3.36Å; G51-F53 VanDerWaalsContact C-N 3.32Å; F53-W55 HydrophobicContact CB-CH2 3.63Å; F53-W55 HydrophobicContact CB-CZ2 4.23Å; F53-W55 HydrophobicContact CB-CZ3 3.83Å; F53-K61 HydrophobicContact CB-CG 4.4Å; F53-K61 HydrophobicContact CD1-CD 4.28Å; F53-K61 HydrophobicContact CD1-CG 4.19Å; F53-K61 HydrophobicContact CG-CD 4.46Å; F53-K61 HydrophobicContact CG-CG 4.46Å; F53-K61 VanDerWaalsContact CZ-NZ 3.33Å; F53-Y62 CarbonylContact C-O 3.45Å; F53-Y62 WeakPolarHBondContact CA-O 3.47Å; F53-Y62 WeakPolarHBondContact CD1-O 3.35Å; F53-F63 AromaticContact CD1-CD1 3.97Å; F53-F63 HydrophobicContact CD1-CD1 3.97Å; F53-F63 HydrophobicContact CD1-CE1 4.2Å; F53-F63 HydrophobicContact CD1-CG 4.27Å; F53-F63 AromaticContact CE1-CD1 3.38Å; F53-F63 HydrophobicContact CE1-CD1 3.38Å; F53-F63 HydrophobicContact CE1-CD2 4.13Å; F53-F63 AromaticContact CE1-CE1 3.18Å; F53-F63 HydrophobicContact CE1-CE1 3.18Å; F53-F63 AromaticContact CE1-CE2 3.97Å; F53-F63 HydrophobicContact CE1-CE2 3.97Å; F53-F63 AromaticContact CE1-CG 3.86Å; F53-F63 HydrophobicContact CE1-CG 3.86Å; F53-F63 AromaticContact CE1-CZ 3.51Å; F53-F63 HydrophobicContact CE1-CZ 3.51Å; F53-F63 HydrophobicContact CZ-CD1 4.09Å; F53-F63 AromaticContact CZ-CE1 3.5Å; F53-F63 HydrophobicContact CZ-CE1 3.5Å; F53-F63 AromaticContact CZ-CZ 3.86Å; F53-F63 HydrophobicContact CZ-CZ 3.86Å; F53-Q407 HydrophobicContact CZ-CG 4.33Å
54V98.7Very high97.8Very high3 Ų344.8 Ų44.82%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-131.1156.8167.1-64.20000110.3L46 K48 K61 Y62 D64 H76 L386L46-V54 HydrophobicContact CD1-CB 4.06Å; L46-V54 HydrophobicContact CD1-CG1 4.27Å; L46-V54 HydrophobicContact CD1-CG2 3.83Å; L46-V54 HydrophobicContact CD2-CB 3.88Å; L46-V54 HydrophobicContact CD2-CG2 3.54Å; L46-V54 HydrophobicContact CG-CG2 4.33Å; K48-V54 CarbonylContact O-C 3.42Å; K48-V54 WeakPolarHBondContact O-CA 3.44Å; K48-V54 WeakPolarHBondContact O-CB 3.49Å; V54-K61 CarbonylContact O-C 3.21Å; V54-K61 WeakPolarHBondContact O-CA 3.3Å; V54-Y62 HydrophobicContact CG2-CD2 4.47Å; V54-Y62 PolarHBondContact N-O 3.34Å; V54-Y62 PolarHBondContact O-N 2.7Å; V54-D64 HydrophobicContact CG1-CB 4.39Å; V54-H76 WeakPolarHBondContact CG1-CE1 3.39Å; V54-H76 VanDerWaalsContact CG1-NE2 3.29Å; V54-H76 WeakPolarHBondContact CG1-NE2 3.48Å; V54-L386 HydrophobicContact CG2-CD1 3.63Å
55W98.5Very high97.9Very high52 Ų5243.7 Ų43.720%0.19724%0.237CC..EExtended strand (participates in β ladder)trans-124.1139.3174.9-63.3-106.3000110.2L46 T47 K48 Q50 F53 K60 K61L46-W55 WeakPolarHBondContact CA-O 3.43Å; T47-W55 PolarHBondContact N-O 3.18Å; K48-W55 HydrophobicContact CB-CB 4.28Å; K48-W55 HydrophobicContact CB-CE3 4.17Å; K48-W55 HydrophobicContact CD-CD2 4.33Å; K48-W55 HydrophobicContact CD-CE3 3.96Å; K48-W55 HydrophobicContact CD-CZ3 4.41Å; K48-W55 HydrophobicContact CG-CE3 3.87Å; K48-W55 HydrophobicContact CG-CZ3 4.37Å; K48-W55 PolarHBondContact N-O 2.94Å; K48-W55 PolarHBondContact O-N 3.16Å; Q50-W55 HydrophobicContact CB-CH2 3.98Å; Q50-W55 HydrophobicContact CB-CZ3 3.73Å; F53-W55 HydrophobicContact CB-CH2 3.63Å; F53-W55 HydrophobicContact CB-CZ2 4.23Å; F53-W55 HydrophobicContact CB-CZ3 3.83Å; W55-K60 WeakPolarHBondContact CA-O 3.38Å; W55-K61 HydrophobicContact CD2-CG 4.48Å; W55-K61 HydrophobicContact CZ2-CD 3.96Å; W55-K61 HydrophobicContact CZ2-CG 3.99Å
56D97.8Very high97.9Very high15 Ų1544.6 Ų44.68%0.0824%0.24CC..EExtended strand (participates in β ladder)trans-79174.3169.973.810.8000112.4V44 A45 T47 D58 G59 K60 Y62V44-D56 HydrophobicContact CG1-CB 4.09Å; A45-D56 CarbonylContact O-C 3.52Å; A45-D56 WeakPolarHBondContact O-CA 3.4Å; A45-D56 VanDerWaalsContact O-CB 3.3Å; A45-D56 WeakPolarHBondContact O-CB 3.5Å; T47-D56 WeakPolarHBondContact CG2-O 3.4Å; D56-D58 PolarHBondContact O-N 3.11Å; D56-D58 VanDerWaalsContact OD1-C 3.27Å; D56-D58 WeakPolarHBondContact OD1-CA 3.23Å; D56-D58 PolarHBondContact OD1-N 3.05Å; D56-G59 PolarHBondContact O-N 2.75Å; D56-G59 PolarHBondContact OD1-N 2.53Å; D56-K60 PolarHBondContact N-O 3.18Å; D56-K60 PolarHBondContact OD1-N 3.44Å; D56-K60 WeakPolarHBondContact OD2-CB 3.42Å; D56-Y62 HydrophobicContact CB-CE2 3.84Å; D56-Y62 PolarHBondContact OD2-OH 3.31Å
57V97Very high97.9Very high30 Ų3040.4 Ų40.418%0.18222%0.218CC..THydrogen-bonded Turntrans-65.6-12.5178.6-66.80000114.4K23 I27 A45 T47K23-V57 HydrophobicContact CB-CG2 4.19Å; I27-V57 HydrophobicContact CD1-CB 4.29Å; I27-V57 HydrophobicContact CD1-CG1 3.6Å; I27-V57 HydrophobicContact CD1-CG2 4.12Å; A45-V57 HydrophobicContact CB-CG1 4.13Å; A45-V57 HydrophobicContact CB-CG2 3.96Å; A45-V57 WeakPolarHBondContact O-CG1 3.5Å; A45-V57 PolarHBondContact O-N 3.37Å; T47-V57 HydrophobicContact CG2-CG1 4.43Å
58D94.7Very high97.8Very high65 Ų6538 Ų3835%0.34821%0.209SC..THydrogen-bonded Turntrans-99.2-0.9176.3-63.4-51.4000112T21 D56T21-D58 WeakPolarHBondContact CB-OD2 3.31Å; T21-D58 HydrophobicContact CG2-CB 4.4Å; T21-D58 VanDerWaalsContact CG2-CG 3.44Å; T21-D58 WeakPolarHBondContact CG2-OD2 3.44Å; T21-D58 PolarHBondContact OG1-OD1 3.49Å; T21-D58 PolarHBondContact OG1-OD2 3.13Å; D56-D58 PolarHBondContact O-N 3.11Å; D56-D58 VanDerWaalsContact OD1-C 3.27Å; D56-D58 WeakPolarHBondContact OD1-CA 3.23Å; D56-D58 PolarHBondContact OD1-N 3.05Å
59G96.1Very high97.7Very high52 Ų5235.8 Ų35.854%0.53620%0.198SC..  trans86.35.6176.100000114.1D56 K61D56-G59 PolarHBondContact O-N 2.75Å; D56-G59 PolarHBondContact OD1-N 2.53Å; G59-K61 PolarHBondContact O-N 3.41Å
60K97.7Very high97.6Very high81 Ų8135.1 Ų35.135%0.35219%0.191SC..  trans-70.6131.9175.3-176169.2174.4-176.90109.8W55 D56 Y62 A381 E382W55-K60 WeakPolarHBondContact CA-O 3.38Å; D56-K60 PolarHBondContact N-O 3.18Å; D56-K60 PolarHBondContact OD1-N 3.44Å; D56-K60 WeakPolarHBondContact OD2-CB 3.42Å; K60-Y62 HydrophobicContact CB-CE2 3.88Å; K60-Y62 HydrophobicContact CD-CE1 4.25Å; K60-Y62 HydrophobicContact CD-CE2 4.34Å; K60-Y62 WeakPolarHBondContact CD-OH 3.26Å; K60-Y62 HydrophobicContact CG-CE1 4.43Å; K60-Y62 HydrophobicContact CG-CE2 3.85Å; K60-Y62 VanDerWaalsContact O-CD2 3.28Å; K60-Y62 WeakPolarHBondContact O-CD2 3.42Å; K60-Y62 WeakPolarHBondContact O-CE2 3.32Å; K60-A381 PolarHBondContact NZ-O 3.03Å; K60-A381 VanDerWaalsContact NZ-O 3.14Å; K60-E382 VanDerWaalsContact NZ-C 3.29Å; K60-E382 PolarHBondContact NZ-O 3.1Å
61K98.3Very high97.6Very high97 Ų9730.4 Ų30.442%0.42217%0.172SC..EExtended strand (participates in β ladder)trans-90.1141.8179.3-174.8-178.5171.2-164.80110.4F53 V54 W55 G59F53-K61 HydrophobicContact CB-CG 4.4Å; F53-K61 HydrophobicContact CD1-CD 4.28Å; F53-K61 HydrophobicContact CD1-CG 4.19Å; F53-K61 HydrophobicContact CG-CD 4.46Å; F53-K61 HydrophobicContact CG-CG 4.46Å; F53-K61 VanDerWaalsContact CZ-NZ 3.33Å; V54-K61 CarbonylContact O-C 3.21Å; V54-K61 WeakPolarHBondContact O-CA 3.3Å; W55-K61 HydrophobicContact CD2-CG 4.48Å; W55-K61 HydrophobicContact CZ2-CD 3.96Å; W55-K61 HydrophobicContact CZ2-CG 3.99Å; G59-K61 PolarHBondContact O-N 3.41Å
62Y98.7Very high97.5Very high10 Ų1030.3 Ų30.34%0.03917%0.166CC..EExtended strand (participates in β ladder)trans-134.7143.3176.9-53.1-103.8000111.4V44 L46 F53 V54 D56 K60 A381 G384 L386V44-Y62 HydrophobicContact CG1-CE1 4.37Å; V44-Y62 HydrophobicContact CG1-CE2 4.03Å; V44-Y62 HydrophobicContact CG2-CE1 4.46Å; L46-Y62 HydrophobicContact CD2-CD2 4.48Å; F53-Y62 CarbonylContact C-O 3.45Å; F53-Y62 WeakPolarHBondContact CA-O 3.47Å; F53-Y62 WeakPolarHBondContact CD1-O 3.35Å; V54-Y62 HydrophobicContact CG2-CD2 4.47Å; V54-Y62 PolarHBondContact N-O 3.34Å; V54-Y62 PolarHBondContact O-N 2.7Å; D56-Y62 HydrophobicContact CB-CE2 3.84Å; D56-Y62 PolarHBondContact OD2-OH 3.31Å; K60-Y62 HydrophobicContact CB-CE2 3.88Å; K60-Y62 HydrophobicContact CD-CE1 4.25Å; K60-Y62 HydrophobicContact CD-CE2 4.34Å; K60-Y62 WeakPolarHBondContact CD-OH 3.26Å; K60-Y62 HydrophobicContact CG-CE1 4.43Å; K60-Y62 HydrophobicContact CG-CE2 3.85Å; K60-Y62 VanDerWaalsContact O-CD2 3.28Å; K60-Y62 WeakPolarHBondContact O-CD2 3.42Å; K60-Y62 WeakPolarHBondContact O-CE2 3.32Å; Y62-A381 HydrophobicContact CE1-CB 4.44Å; Y62-A381 WeakPolarHBondContact CE1-O 3.4Å; Y62-G384 CarbonylContact C-O 3.47Å; Y62-G384 WeakPolarHBondContact CA-O 3.23Å; Y62-L386 HydrophobicContact CD1-CD1 4.24Å; Y62-L386 HydrophobicContact CD1-CD2 3.55Å; Y62-L386 HydrophobicContact CD1-CG 3.7Å; Y62-L386 HydrophobicContact CE1-CD2 3.86Å; Y62-L386 HydrophobicContact CE1-CG 4.47Å; Y62-L386 HydrophobicContact CG-CD1 4.02Å; Y62-L386 HydrophobicContact CG-CD2 4.18Å; Y62-L386 HydrophobicContact CG-CG 3.89Å
63F98.8Very high97.5Very high7 Ų730.1 Ų30.13%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-68.2128.5154.7-74-79.6000109.5V52 F53 F65 G384 V385 L386 Q407 E410 A411 I414V52-F63 HydrophobicContact CG2-CD1 4.14Å; V52-F63 HydrophobicContact CG2-CE1 4.26Å; F53-F63 AromaticContact CD1-CD1 3.97Å; F53-F63 HydrophobicContact CD1-CD1 3.97Å; F53-F63 HydrophobicContact CD1-CE1 4.2Å; F53-F63 HydrophobicContact CD1-CG 4.27Å; F53-F63 AromaticContact CE1-CD1 3.38Å; F53-F63 HydrophobicContact CE1-CD1 3.38Å; F53-F63 HydrophobicContact CE1-CD2 4.13Å; F53-F63 AromaticContact CE1-CE1 3.18Å; F53-F63 HydrophobicContact CE1-CE1 3.18Å; F53-F63 AromaticContact CE1-CE2 3.97Å; F53-F63 HydrophobicContact CE1-CE2 3.97Å; F53-F63 AromaticContact CE1-CG 3.86Å; F53-F63 HydrophobicContact CE1-CG 3.86Å; F53-F63 AromaticContact CE1-CZ 3.51Å; F53-F63 HydrophobicContact CE1-CZ 3.51Å; F53-F63 HydrophobicContact CZ-CD1 4.09Å; F53-F63 AromaticContact CZ-CE1 3.5Å; F53-F63 HydrophobicContact CZ-CE1 3.5Å; F53-F63 AromaticContact CZ-CZ 3.86Å; F53-F63 HydrophobicContact CZ-CZ 3.86Å; F63-F65 HydrophobicContact CB-CD2 3.82Å; F63-F65 HydrophobicContact CB-CE2 3.84Å; F63-F65 HydrophobicContact CD1-CE2 4.35Å; F63-F65 HydrophobicContact CG-CE2 4.29Å; F63-F65 PolarHBondContact O-N 2.93Å; F63-G384 PolarHBondContact N-O 2.89Å; F63-V385 HydrophobicContact CB-CG2 4.31Å; F63-V385 HydrophobicContact CD2-CG2 4.36Å; F63-L386 PolarHBondContact O-N 2.67Å; F63-Q407 HydrophobicContact CE1-CB 3.84Å; F63-Q407 HydrophobicContact CE1-CG 4.16Å; F63-Q407 HydrophobicContact CZ-CB 4.42Å; F63-E410 HydrophobicContact CE2-CB 4.43Å; F63-E410 HydrophobicContact CE2-CG 4.04Å; F63-E410 HydrophobicContact CZ-CB 4.16Å; F63-E410 HydrophobicContact CZ-CG 4.14Å; F63-E410 WeakPolarHBondContact CZ-OE2 3.34Å; F63-A411 HydrophobicContact CD1-CB 4.27Å; F63-A411 HydrophobicContact CD2-CB 4.03Å; F63-A411 HydrophobicContact CE1-CB 4.44Å; F63-A411 HydrophobicContact CE2-CB 4.21Å; F63-A411 HydrophobicContact CG-CB 4.06Å; F63-A411 HydrophobicContact CZ-CB 4.41Å; F63-I414 HydrophobicContact CD2-CD1 4.49Å; F63-I414 HydrophobicContact CE2-CD1 4.4Å
64D98.8Very high97.5Very high11 Ų1129 Ų296%0.05916%0.16CC..EExtended strand (participates in β ladder)trans-87.4104.3172.1-178.49.3000109.9V52 V54 L66 S67 H76 P399 P400V52-D64 PolarHBondContact O-N 2.88Å; V54-D64 HydrophobicContact CG1-CB 4.39Å; D64-L66 WeakPolarHBondContact OD1-CA 3.07Å; D64-L66 PolarHBondContact OD1-N 3.42Å; D64-S67 VanDerWaalsContact CG-N 3.35Å; D64-S67 PolarHBondContact OD1-N 3.21Å; D64-S67 WeakPolarHBondContact OD2-CA 3.45Å; D64-S67 PolarHBondContact OD2-N 2.98Å; D64-H76 IonicContact OD2-CD2 3.59Å; D64-H76 IonicContact OD2-CE1 2.93Å; D64-H76 IonicContact OD2-NE2 3.75Å; D64-H76 PolarHBondContact OD2-NE2 3.18Å; D64-P399 VanDerWaalsContact O-CA 3.24Å; D64-P399 WeakPolarHBondContact O-CA 3.11Å; D64-P399 WeakPolarHBondContact O-CB 3.39Å; D64-P400 VanDerWaalsContact O-CD 3.23Å; D64-P400 WeakPolarHBondContact O-CD 3.41Å
65F98.6Very high97.5Very high1 Ų128.9 Ų28.90%0.00416%0.159CC..SBendtrans-102.718.2173.2-88.6-113.9000111.8F63 F341 V385 L386 A387 F397 S398 P399 I403 M408 A411 I415F63-F65 HydrophobicContact CB-CD2 3.82Å; F63-F65 HydrophobicContact CB-CE2 3.84Å; F63-F65 HydrophobicContact CD1-CE2 4.35Å; F63-F65 HydrophobicContact CG-CE2 4.29Å; F63-F65 PolarHBondContact O-N 2.93Å; F65-F341 HydrophobicContact CD1-CE2 4.43Å; F65-F341 HydrophobicContact CE1-CD2 4.08Å; F65-F341 AromaticContact CE1-CE2 3.89Å; F65-F341 HydrophobicContact CE1-CE2 3.89Å; F65-V385 HydrophobicContact CB-CG1 4.17Å; F65-V385 HydrophobicContact CD2-CG1 4.05Å; F65-V385 HydrophobicContact CG-CG1 4.15Å; F65-L386 CarbonylContact C-O 3.6Å; F65-L386 VanDerWaalsContact C-O 3.29Å; F65-L386 VanDerWaalsContact CA-O 3.23Å; F65-L386 WeakPolarHBondContact CA-O 3.28Å; F65-L386 VanDerWaalsContact CB-O 3.29Å; F65-L386 WeakPolarHBondContact CB-O 3.05Å; F65-L386 PolarHBondContact N-O 2.88Å; F65-A387 HydrophobicContact CB-CB 4.47Å; F65-F397 HydrophobicContact CB-CD1 4.14Å; F65-F397 HydrophobicContact CD1-CB 3.94Å; F65-F397 AromaticContact CD1-CD1 3.71Å; F65-F397 HydrophobicContact CD1-CD1 3.71Å; F65-F397 HydrophobicContact CD1-CG 4.29Å; F65-F397 HydrophobicContact CG-CD1 4.28Å; F65-S398 CarbonylContact C-O 3.59Å; F65-S398 CarbonylContact O-C 3.22Å; F65-S398 PolarHBondContact O-N 3.15Å; F65-P399 HydrophobicContact CD1-CB 4.16Å; F65-P399 HydrophobicContact CD1-CG 3.98Å; F65-P399 HydrophobicContact CD2-CB 3.99Å; F65-P399 HydrophobicContact CE1-CB 4.27Å; F65-P399 HydrophobicContact CE1-CG 3.86Å; F65-P399 HydrophobicContact CE2-CB 4.06Å; F65-P399 HydrophobicContact CE2-CG 4.46Å; F65-P399 HydrophobicContact CG-CB 4.05Å; F65-P399 HydrophobicContact CG-CG 4.38Å; F65-P399 HydrophobicContact CZ-CB 4.21Å; F65-P399 HydrophobicContact CZ-CG 4.11Å; F65-I403 HydrophobicContact CE2-CD1 4.06Å; F65-I403 HydrophobicContact CZ-CD1 3.99Å; F65-M408 HydrophobicContact CE1-SD 4.25Å; F65-M408 HydrophobicContact CZ-SD 4.05Å; F65-A411 HydrophobicContact CE2-CB 3.45Å; F65-A411 VanDerWaalsContact CE2-CB 3.45Å; F65-A411 HydrophobicContact CZ-CB 3.44Å; F65-A411 VanDerWaalsContact CZ-CB 3.44Å; F65-I415 HydrophobicContact CD1-CD1 4.39Å; F65-I415 HydrophobicContact CE1-CD1 4.16Å
66L96.7Very high97.5Very high30 Ų3027.7 Ų27.716%0.15716%0.156CC..SBendtrans-112.1-36.3174-173.360.4000112D64 A68 Y69 S70 L386 K388 R396 S398D64-L66 WeakPolarHBondContact OD1-CA 3.07Å; D64-L66 PolarHBondContact OD1-N 3.42Å; L66-A68 VanDerWaalsContact C-N 3.26Å; L66-A68 PolarHBondContact O-N 3.45Å; L66-Y69 HydrophobicContact CD2-CE2 4.24Å; L66-Y69 PolarHBondContact O-N 3.44Å; L66-S70 PolarHBondContact O-N 2.54Å; L66-L386 PolarHBondContact N-O 2.83Å; L66-K388 HydrophobicContact CD1-CB 3.95Å; L66-K388 HydrophobicContact CD2-CB 4.19Å; L66-K388 HydrophobicContact CD2-CD 4.38Å; L66-R396 VanDerWaalsContact CD1-NH2 3.31Å; L66-S398 CarbonylContact C-O 3.54Å; L66-S398 PolarHBondContact O-OG 3.15Å; L66-S398 VanDerWaalsContact O-OG 3.09Å
67S96.7Very high97.5Very high0 Ų030.4 Ų30.40%018%0.175CC..Hα-helixtrans5142.1-179.3-57.80000113.1D64 Y69 S70 A71 L72 S398 P399 P400D64-S67 VanDerWaalsContact CG-N 3.35Å; D64-S67 PolarHBondContact OD1-N 3.21Å; D64-S67 WeakPolarHBondContact OD2-CA 3.45Å; D64-S67 PolarHBondContact OD2-N 2.98Å; S67-Y69 VanDerWaalsContact C-N 3.28Å; S67-Y69 PolarHBondContact O-N 3.31Å; S67-S70 CarbonylContact O-C 3.51Å; S67-S70 WeakPolarHBondContact O-CA 3.4Å; S67-S70 PolarHBondContact O-N 3.44Å; S67-A71 PolarHBondContact O-N 2.84Å; S67-L72 PolarHBondContact O-N 2.92Å; S67-S398 WeakPolarHBondContact CB-O 3.45Å; S67-S398 PolarHBondContact OG-O 2.91Å; S67-P399 WeakPolarHBondContact OG-CA 3.41Å; S67-P400 WeakPolarHBondContact OG-CD 3.37Å
68A96.1Very high97.6Very high54 Ų5430 Ų3045%0.44617%0.172SC..Hα-helixtrans47.650.9-173.100000112.3L66 S70 A71 L72L66-A68 VanDerWaalsContact C-N 3.26Å; L66-A68 PolarHBondContact O-N 3.45Å; A68-S70 PolarHBondContact O-N 3.36Å; A68-A71 HydrophobicContact CB-CB 4.31Å; A68-L72 HydrophobicContact CB-CD1 3.7Å; A68-L72 HydrophobicContact CB-CG 4.36Å
69Y95.7Very high97.8Very high65 Ų6531.5 Ų31.526%0.25519%0.185SC..Hα-helixtrans61.641-176.6-59.2-106.9000113.1L66 S67 E220 Q251 K277 K388L66-Y69 HydrophobicContact CD2-CE2 4.24Å; L66-Y69 PolarHBondContact O-N 3.44Å; S67-Y69 VanDerWaalsContact C-N 3.28Å; S67-Y69 PolarHBondContact O-N 3.31Å; Y69-E220 WeakPolarHBondContact CD1-OE1 3.36Å; Y69-Q251 PolarHBondContact O-NE2 3.1Å; Y69-K277 VanDerWaalsContact O-CD 3.29Å; Y69-K277 WeakPolarHBondContact O-CD 3.27Å; Y69-K277 VanDerWaalsContact O-CE 3.23Å; Y69-K277 WeakPolarHBondContact O-CE 3.33Å; Y69-K388 WeakPolarHBondContact OH-CD 3.43Å; Y69-K388 VanDerWaalsContact OH-CE 3.24Å; Y69-K388 WeakPolarHBondContact OH-CE 3.5Å
70S96.4Very high97.9Very high1 Ų132 Ų321%0.00717%0.172CC..Hα-helixtrans72.826.6-179.2-39.60000115.8L66 S67 A68 N73L66-S70 PolarHBondContact O-N 2.54Å; S67-S70 CarbonylContact O-C 3.51Å; S67-S70 WeakPolarHBondContact O-CA 3.4Å; S67-S70 PolarHBondContact O-N 3.44Å; A68-S70 PolarHBondContact O-N 3.36Å; S70-N73 PolarHBondContact O-OD1 3.1Å
71A97.7Very high98Very high16 Ų1628.1 Ų28.113%0.13216%0.155CC..THydrogen-bonded Turntrans-90.2-11.2173.700000114.9S67 A68 K277 A278 G281 G282S67-A71 PolarHBondContact O-N 2.84Å; A68-A71 HydrophobicContact CB-CB 4.31Å; A71-K277 HydrophobicContact CB-CB 3.84Å; A71-K277 HydrophobicContact CB-CG 4.3Å; A71-A278 WeakPolarHBondContact O-CA 3.47Å; A71-G281 CarbonylContact O-C 3.51Å; A71-G282 PolarHBondContact O-N 2.88Å
72L98.1Very high98Very high17 Ų1726.5 Ų26.59%0.08915%0.151CC..  trans-109.650-176-70.4153.6000112.1S67 A68 Q74 G75 H76 P400S67-L72 PolarHBondContact O-N 2.92Å; A68-L72 HydrophobicContact CB-CD1 3.7Å; A68-L72 HydrophobicContact CB-CG 4.36Å; L72-Q74 PolarHBondContact O-N 2.95Å; L72-G75 PolarHBondContact O-N 3.33Å; L72-H76 VanDerWaalsContact CD1-CE1 3.44Å; L72-H76 WeakPolarHBondContact CD1-CE1 3.22Å; L72-P400 VanDerWaalsContact O-CB 3.32Å; L72-P400 WeakPolarHBondContact O-CB 3.3Å
73N98.6Very high98Very high1 Ų132 Ų321%0.00518%0.177CC..THydrogen-bonded Turntrans-57.4-36.9-178.7-75.41000112.4S70 G75 L254 R256 A278 L401S70-N73 PolarHBondContact O-OD1 3.1Å; N73-G75 VanDerWaalsContact C-N 3.25Å; N73-G75 PolarHBondContact O-N 2.76Å; N73-L254 PolarHBondContact ND2-O 2.75Å; N73-R256 PolarHBondContact OD1-NE 2.79Å; N73-R256 VanDerWaalsContact OD1-NE 3.16Å; N73-R256 PolarHBondContact OD1-NH2 3.49Å; N73-A278 HydrophobicContact CB-CB 3.79Å; N73-A278 VanDerWaalsContact ND2-CB 3.27Å; N73-A278 WeakPolarHBondContact ND2-CB 3.44Å; N73-L401 HydrophobicContact CB-CD1 3.67Å; N73-L401 HydrophobicContact CB-CG 3.72Å; N73-L401 WeakPolarHBondContact O-CA 3.41Å; N73-L401 VanDerWaalsContact O-CB 3.31Å; N73-L401 WeakPolarHBondContact O-CB 3.27Å; N73-L401 PolarHBondContact O-N 2.96Å
74Q98.7Very high98Very high1 Ų132.7 Ų32.71%0.00518%0.184CC..THydrogen-bonded Turntrans-83.72.1-178.6-61.482.2-1200113L72 H78 I81 A278 A321 V324 L330L72-Q74 PolarHBondContact O-N 2.95Å; Q74-H78 HydrophobicContact CB-CB 4.31Å; Q74-H78 PolarHBondContact O-CD2 3.47Å; Q74-H78 VanDerWaalsContact O-CD2 3.31Å; Q74-I81 HydrophobicContact CB-CD1 3.87Å; Q74-I81 HydrophobicContact CG-CD1 3.93Å; Q74-A278 PolarHBondContact NE2-O 2.87Å; Q74-A321 PolarHBondContact NE2-O 2.7Å; Q74-V324 HydrophobicContact CB-CG1 3.94Å; Q74-V324 HydrophobicContact CG-CB 4.08Å; Q74-V324 HydrophobicContact CG-CG1 3.51Å; Q74-L330 HydrophobicContact CB-CD1 4.44Å; Q74-L330 HydrophobicContact CG-CD1 3.87Å
75G98.6Very high98Very high0 Ų035 Ų350%020%0.195CC..  trans80.2169.5-174.700000113.8G51 L72 N73G51-G75 CarbonylContact O-C 3.59Å; G51-G75 VanDerWaalsContact O-CA 3.31Å; G51-G75 WeakPolarHBondContact O-CA 3.4Å; L72-G75 PolarHBondContact O-N 3.33Å; N73-G75 VanDerWaalsContact C-N 3.25Å; N73-G75 PolarHBondContact O-N 2.76Å
76H98.6Very high98Very high28 Ų2839.9 Ų39.913%0.1322%0.218CC..BIsolated β-bridgetrans-69.1131.4179.5-71-90.4000111.1Q50 G51 V54 D64 L72 H78Q50-H76 VanDerWaalsContact N-CB 3.31Å; G51-H76 PolarHBondContact N-O 3.49Å; G51-H76 PolarHBondContact O-CD2 3.19Å; G51-H76 PolarHBondContact O-N 2.73Å; V54-H76 WeakPolarHBondContact CG1-CE1 3.39Å; V54-H76 VanDerWaalsContact CG1-NE2 3.29Å; V54-H76 WeakPolarHBondContact CG1-NE2 3.48Å; D64-H76 IonicContact OD2-CD2 3.59Å; D64-H76 IonicContact OD2-CE1 2.93Å; D64-H76 IonicContact OD2-NE2 3.75Å; D64-H76 PolarHBondContact OD2-NE2 3.18Å; L72-H76 VanDerWaalsContact CD1-CE1 3.44Å; L72-H76 WeakPolarHBondContact CD1-CE1 3.22Å; H76-H78 VanDerWaalsContact C-N 3.31Å; H76-H78 PolarHBondContact O-N 3.15Å
77C98Very high98.1Very high72 Ų7241.5 Ų41.549%0.48623%0.229SC..THydrogen-bonded Turntrans54.941.6172.3-59.30000113.8
78H98.6Very high98.2Very high22 Ų2241.9 Ų41.910%0.10223%0.231CC..  trans-52.7121.5178.6-166-87000111.5Q74 H76 K80 I81 L82 F283 V324 E328Q74-H78 HydrophobicContact CB-CB 4.31Å; Q74-H78 PolarHBondContact O-CD2 3.47Å; Q74-H78 VanDerWaalsContact O-CD2 3.31Å; H76-H78 VanDerWaalsContact C-N 3.31Å; H76-H78 PolarHBondContact O-N 3.15Å; H78-K80 VanDerWaalsContact C-N 3.3Å; H78-K80 PolarHBondContact O-N 3.35Å; H78-K80 VanDerWaalsContact O-N 3.17Å; H78-I81 HydrophobicContact CB-CB 4.49Å; H78-I81 HydrophobicContact CB-CD1 3.96Å; H78-I81 HydrophobicContact CB-CG1 4.13Å; H78-I81 PolarHBondContact O-N 3.08Å; H78-L82 PolarHBondContact O-N 2.83Å; H78-F283 HydrophobicContact CB-CE2 4.4Å; H78-V324 VanDerWaalsContact CE1-CG2 3.47Å; H78-V324 WeakPolarHBondContact CE1-CG2 3.35Å; H78-E328 IonicContact CE1-OE1 2.7Å; H78-E328 PolarHBondContact CE1-OE1 2.93Å; H78-E328 IonicContact NE2-OE1 3.74Å; H78-E328 PolarHBondContact NE2-OE1 3.32Å; H78-E328 IonicContact NE2-OE2 3.94Å; H78-E328 PolarHBondContact NE2-OE2 3.2Å
79P98.6Very high98.3Very high96 Ų9641.6 Ų41.662%0.62323%0.228SC*.Hα-helixtrans-56.1-40.5-168.6-29.435.3000114.3I81 L82 Q83P79-I81 PolarHBondContact O-N 3.44Å; P79-L82 PolarHBondContact O-N 2.89Å; P79-Q83 WeakPolarHBondContact O-CB 3.36Å; P79-Q83 PolarHBondContact O-N 2.97Å
80K98.7Very high98.4Very high61 Ų6146.6 Ų46.627%0.26525%0.254SS..Hα-helixtrans-65.2-38.3179.9-178.7170.8169.7-1710113.2H78 A84 E323 V324H78-K80 VanDerWaalsContact C-N 3.3Å; H78-K80 PolarHBondContact O-N 3.35Å; H78-K80 VanDerWaalsContact O-N 3.17Å; K80-A84 PolarHBondContact O-N 2.85Å; K80-E323 WeakPolarHBondContact CE-OE2 3.41Å; K80-E323 VanDerWaalsContact NZ-CB 3.3Å; K80-E323 IonicContact NZ-OE2 3.5Å; K80-E323 PolarHBondContact NZ-OE2 3.44Å; K80-V324 HydrophobicContact CB-CG2 4Å; K80-V324 HydrophobicContact CD-CG2 3.73Å; K80-V324 HydrophobicContact CG-CG2 4.12Å
81I98.8Very high98.5Very high0 Ų054 Ų540%029%0.286CS..Hα-helixtrans-76.2-39.8-179.5-51.4175.2000109.7Q74 H78 P79 Q83 A84 M85 F283 I317 A320 A321 V324Q74-I81 HydrophobicContact CB-CD1 3.87Å; Q74-I81 HydrophobicContact CG-CD1 3.93Å; H78-I81 HydrophobicContact CB-CB 4.49Å; H78-I81 HydrophobicContact CB-CD1 3.96Å; H78-I81 HydrophobicContact CB-CG1 4.13Å; H78-I81 PolarHBondContact O-N 3.08Å; P79-I81 PolarHBondContact O-N 3.44Å; I81-Q83 VanDerWaalsContact C-N 3.33Å; I81-Q83 PolarHBondContact O-N 2.84Å; I81-A84 PolarHBondContact O-N 3.23Å; I81-M85 PolarHBondContact O-N 3.16Å; I81-F283 HydrophobicContact CB-CD2 3.84Å; I81-F283 HydrophobicContact CB-CE2 3.65Å; I81-F283 HydrophobicContact CB-CG 4.41Å; I81-F283 HydrophobicContact CB-CZ 4.07Å; I81-F283 HydrophobicContact CD1-CD2 4.39Å; I81-F283 HydrophobicContact CD1-CE2 4.31Å; I81-F283 HydrophobicContact CG2-CB 4.09Å; I81-F283 HydrophobicContact CG2-CD1 4.3Å; I81-F283 HydrophobicContact CG2-CD2 3.38Å; I81-F283 HydrophobicContact CG2-CE2 3.77Å; I81-F283 HydrophobicContact CG2-CG 3.66Å; I81-F283 HydrophobicContact CG2-CZ 4.35Å; I81-I317 HydrophobicContact CG2-CG2 3.89Å; I81-A320 HydrophobicContact CG1-CB 4.39Å; I81-A321 HydrophobicContact CD1-CB 3.82Å; I81-A321 HydrophobicContact CG1-CB 4.4Å; I81-V324 HydrophobicContact CG1-CG2 4.17Å
82L98.8Very high98.5Very high63 Ų6356.6 Ų56.633%0.3330%0.298SS..Hα-helixtrans-57.3-46.4172.9177.462.3000111.5H78 P79 A84 M85 Q86 F283H78-L82 PolarHBondContact O-N 2.83Å; P79-L82 PolarHBondContact O-N 2.89Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.19Å; L82-M85 WeakPolarHBondContact O-CB 3.24Å; L82-M85 PolarHBondContact O-N 3.36Å; L82-Q86 HydrophobicContact CD1-CG 4.21Å; L82-Q86 WeakPolarHBondContact O-CG 3.17Å; L82-Q86 PolarHBondContact O-N 2.83Å; L82-F283 VanDerWaalsContact CA-CE1 3.46Å; L82-F283 HydrophobicContact CB-CE1 3.62Å; L82-F283 HydrophobicContact CB-CZ 3.83Å; L82-F283 HydrophobicContact CD1-CE1 3.94Å; L82-F283 HydrophobicContact CG-CE1 4.38Å
83Q98.8Very high98.5Very high125 Ų12559 Ų5958%0.58431%0.313SS*.Hα-helixtrans-61.7-42178.1-173.2-179.726.100111.9P79 I81 Q86 T87P79-Q83 WeakPolarHBondContact O-CB 3.36Å; P79-Q83 PolarHBondContact O-N 2.97Å; I81-Q83 VanDerWaalsContact C-N 3.33Å; I81-Q83 PolarHBondContact O-N 2.84Å; Q83-Q86 PolarHBondContact O-N 2.77Å; Q83-T87 VanDerWaalsContact O-CB 3.3Å; Q83-T87 WeakPolarHBondContact O-CB 3.49Å; Q83-T87 PolarHBondContact O-N 3.42Å; Q83-T87 PolarHBondContact O-OG1 3.41Å
84A98.8Very high98.4Very high22 Ų2262.1 Ų62.118%0.18233%0.329CS..Hα-helixtrans-63-41.8175.900000112K80 I81 L82 Q88 A320K80-A84 PolarHBondContact O-N 2.85Å; I81-A84 PolarHBondContact O-N 3.23Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.19Å; A84-Q88 WeakPolarHBondContact O-CB 3.44Å; A84-Q88 PolarHBondContact O-N 2.9Å; A84-A320 HydrophobicContact CB-CB 3.54Å
85M98.7Very high98.1Very high59 Ų5963.6 Ų63.629%0.29134%0.339SS..Hα-helixtrans-59.7-51.5174.3177.6178.1-17600111.4I81 L82 Q88 A89 F283 L313 I317I81-M85 PolarHBondContact O-N 3.16Å; L82-M85 WeakPolarHBondContact O-CB 3.24Å; L82-M85 PolarHBondContact O-N 3.36Å; M85-Q88 PolarHBondContact O-N 3.41Å; M85-A89 WeakPolarHBondContact O-CB 3.37Å; M85-A89 PolarHBondContact O-N 3.47Å; M85-F283 HydrophobicContact SD-CD1 3.82Å; M85-L313 HydrophobicContact CG-CD1 4.16Å; M85-L313 WeakPolarHBondContact O-CD1 3.41Å; M85-I317 HydrophobicContact CB-CD1 3.84Å; M85-I317 HydrophobicContact CB-CG1 3.92Å; M85-I317 HydrophobicContact CG-CD1 3.84Å; M85-I317 HydrophobicContact CG-CG1 4.46Å; M85-I317 HydrophobicContact SD-CD1 4.37Å
86Q98.7Very high97.7Very high105 Ų10566.6 Ų66.649%0.49136%0.36SS..Hα-helixtrans-61.9-49.3-178.8-71.6173.5-38.800111.5L82 Q83 Q88 A89 E90L82-Q86 HydrophobicContact CD1-CG 4.21Å; L82-Q86 WeakPolarHBondContact O-CG 3.17Å; L82-Q86 PolarHBondContact O-N 2.83Å; Q83-Q86 PolarHBondContact O-N 2.77Å; Q86-Q88 VanDerWaalsContact C-N 3.34Å; Q86-Q88 PolarHBondContact O-N 2.83Å; Q86-A89 PolarHBondContact O-N 2.92Å; Q86-E90 PolarHBondContact O-N 2.68Å; Q86-E90 VanDerWaalsContact O-N 3.15Å
87T98.7Very high97.3Very high63 Ų6371.4 Ų71.439%0.38738%0.377SS..Hα-helixtrans-61.2-41.7-179-55.20000111.9Q83 K91Q83-T87 VanDerWaalsContact O-CB 3.3Å; Q83-T87 WeakPolarHBondContact O-CB 3.49Å; Q83-T87 PolarHBondContact O-N 3.42Å; Q83-T87 PolarHBondContact O-OG1 3.41Å; T87-K91 WeakPolarHBondContact O-CG 3.09Å
88Q98.6Very high97Very high8 Ų872.3 Ų72.34%0.03739%0.39CS..Hα-helixtrans-76.1-32.6179.3-17357.439.400112.1A84 M85 Q86 E90 K91 L92 L313 K316A84-Q88 WeakPolarHBondContact O-CB 3.44Å; A84-Q88 PolarHBondContact O-N 2.9Å; M85-Q88 PolarHBondContact O-N 3.41Å; Q86-Q88 VanDerWaalsContact C-N 3.34Å; Q86-Q88 PolarHBondContact O-N 2.83Å; Q88-E90 VanDerWaalsContact C-N 3.27Å; Q88-E90 PolarHBondContact O-N 2.88Å; Q88-K91 PolarHBondContact O-N 3.41Å; Q88-L92 PolarHBondContact NE2-O 3.18Å; Q88-L92 CarbonylContact O-C 3.5Å; Q88-L92 PolarHBondContact O-N 3.36Å; Q88-L313 HydrophobicContact CB-CD1 3.99Å; Q88-L313 HydrophobicContact CG-CB 4.41Å; Q88-L313 HydrophobicContact CG-CD1 4.21Å; Q88-K316 HydrophobicContact CB-CB 3.95Å; Q88-K316 HydrophobicContact CB-CG 3.95Å; Q88-K316 HydrophobicContact CG-CB 4.02Å; Q88-K316 HydrophobicContact CG-CG 3.8Å
89A98.3Very high96.8Very high48 Ų4877.3 Ų77.340%0.39742%0.415SS..Hα-helixtrans-63.8-32176.600000112.8M85 Q86 K91 V93 L313M85-A89 WeakPolarHBondContact O-CB 3.37Å; M85-A89 PolarHBondContact O-N 3.47Å; Q86-A89 PolarHBondContact O-N 2.92Å; A89-K91 VanDerWaalsContact C-N 3.28Å; A89-V93 HydrophobicContact CB-CG1 4.17Å; A89-L313 HydrophobicContact CB-CD1 4.36Å
90E98.1Very high96.7Very high171 Ų17183.7 Ų83.780%0.79943%0.428SS*.THydrogen-bonded Turntrans-71.9-20.5173-70.5174.1-178.200113.3Q86 Q88Q86-E90 PolarHBondContact O-N 2.68Å; Q86-E90 VanDerWaalsContact O-N 3.15Å; Q88-E90 VanDerWaalsContact C-N 3.27Å; Q88-E90 PolarHBondContact O-N 2.88Å
91K97.9Very high96.6Very high155 Ų15581.5 Ų81.567%0.67442%0.421SS*.THydrogen-bonded Turntrans-96.4-64.1-176.8-69.6-178.6177-172.90112.8T87 Q88 A89T87-K91 WeakPolarHBondContact O-CG 3.09Å; Q88-K91 PolarHBondContact O-N 3.41Å; A89-K91 VanDerWaalsContact C-N 3.28Å
92L97.8Very high96.5Very high72 Ų7288 Ų8838%0.37746%0.455SS..  trans-164.3113.9-176-177.261.5000109.6Q88 C95 P312Q88-L92 PolarHBondContact NE2-O 3.18Å; Q88-L92 CarbonylContact O-C 3.5Å; Q88-L92 PolarHBondContact O-N 3.36Å; L92-C95 HydrophobicContact CD2-CB 4.26Å; L92-P312 HydrophobicContact CD2-CG 4.06Å; L92-P312 HydrophobicContact CG-CG 4.19Å; L92-P312 WeakPolarHBondContact O-CB 3.43Å
93V97.3Very high96.4Very high68 Ų6885 Ų8541%0.41244%0.44SS..SBendtrans-83.3-42.6-178.7-63.80000112.5A89 N311 L313A89-V93 HydrophobicContact CB-CG1 4.17Å; V93-N311 PolarHBondContact O-OD1 2.88Å; V93-L313 HydrophobicContact CB-CD2 4.44Å; V93-L313 HydrophobicContact CG1-CD2 4.34Å; V93-L313 WeakPolarHBondContact O-CB 3.44Å; V93-L313 PolarHBondContact O-N 3.19Å
94L96.6Very high96.4Very high66 Ų6679.7 Ų79.735%0.34642%0.415SS..  trans-147.9137.1-172.3-179.465.6000109.6Y308 N311L94-Y308 HydrophobicContact CD1-CD1 3.95Å; L94-Y308 HydrophobicContact CD1-CE1 4.4Å; L94-Y308 HydrophobicContact CD2-CD1 4.16Å; L94-Y308 HydrophobicContact CD2-CE1 3.76Å; L94-N311 HydrophobicContact CD1-CB 3.68Å
95C93.5Very high96.4Very high32 Ų3280.5 Ų80.522%0.21643%0.426CS..  trans-136.1155.5162.865.50000108.6L92L92-C95 HydrophobicContact CD2-CB 4.26Å
96S89.9Confident96.4Very high62 Ų6281.8 Ų81.843%0.43443%0.431SS..  trans-69152.5175.789.30000110.6A98 M99S96-A98 PolarHBondContact O-N 3.21Å; S96-A98 VanDerWaalsContact O-N 3.11Å; S96-A98 VanDerWaalsContact OG-CB 3.32Å; S96-A98 WeakPolarHBondContact OG-CB 3.48Å; S96-A98 PolarHBondContact OG-N 3.25Å; S96-M99 PolarHBondContact O-N 2.94Å; S96-M99 PolarHBondContact OG-SD 3.41Å
97R90.9Very high96.4Very high129 Ų12976.8 Ų76.849%0.48741%0.408SS..THydrogen-bonded Turntrans-69.41.7172.2-63.2-62.6-61.5-145.5-2.9114.1M99 E108R97-M99 VanDerWaalsContact C-N 3.28Å; R97-E108 IonicContact NH2-OE1 3.91Å
98A90.9Very high96.4Very high92 Ų9276.4 Ų76.476%0.7640%0.402SS*.THydrogen-bonded Turntrans-76.6-18.4169.700000112.4S96S96-A98 PolarHBondContact O-N 3.21Å; S96-A98 VanDerWaalsContact O-N 3.11Å; S96-A98 VanDerWaalsContact OG-CB 3.32Å; S96-A98 WeakPolarHBondContact OG-CB 3.48Å; S96-A98 PolarHBondContact OG-N 3.25Å
99M94.3Very high96.4Very high126 Ų12680.9 Ų80.962%0.62142%0.423SS*.SBendtrans-116.5152.9174-56.684.515300109.5S96 R97S96-M99 PolarHBondContact O-N 2.94Å; S96-M99 PolarHBondContact OG-SD 3.41Å; R97-M99 VanDerWaalsContact C-N 3.28Å
100Y96.2Very high96.4Very high230 Ų23081.9 Ų81.990%0.90242%0.417SS*.  trans-71.4139.6165.5-70.2-86000109.9
101S96.8Very high96.4Very high16 Ų1673.8 Ų73.811%0.11238%0.379CS..  trans-98.3150155.964.10000109.3V103 L104S101-V103 VanDerWaalsContact C-N 3.27Å; S101-V103 PolarHBondContact O-N 2.72Å; S101-L104 WeakPolarHBondContact OG-CB 3.49Å; S101-L104 PolarHBondContact OG-N 2.66Å
102D96.4Very high96.5Very high135 Ų13567.2 Ų67.272%0.72235%0.352SS*.Hα-helixtrans-64.7-26.7174.160.5-24.7000113.7
103V97.9Very high96.5Very high1 Ų170.7 Ų70.71%0.00636%0.364CS..Hα-helixtrans-88.7-29.9-174.7-167.60000114.4S101 G105 E106 Y107 P312 C315 K316 L319S101-V103 VanDerWaalsContact C-N 3.27Å; S101-V103 PolarHBondContact O-N 2.72Å; V103-G105 PolarHBondContact O-N 3.07Å; V103-E106 WeakPolarHBondContact O-CB 3.49Å; V103-E106 PolarHBondContact O-N 3.25Å; V103-Y107 PolarHBondContact O-N 3.11Å; V103-P312 HydrophobicContact CB-CB 4.4Å; V103-P312 HydrophobicContact CG2-CB 4.18Å; V103-C315 HydrophobicContact CB-CB 4.37Å; V103-C315 HydrophobicContact CG1-CB 3.7Å; V103-K316 HydrophobicContact CG1-CD 3.45Å; V103-K316 VanDerWaalsContact CG1-CD 3.45Å; V103-K316 HydrophobicContact CG1-CG 3.69Å; V103-K316 HydrophobicContact CG2-CD 4.48Å; V103-K316 HydrophobicContact CG2-CG 4.36Å; V103-L319 HydrophobicContact CG1-CD1 4.48Å
104L98.2Very high96.6Very high13 Ų1369.2 Ų69.27%0.06835%0.354CS..Hα-helixtrans-59.7-47.6-172.4171.472.3000112.6S101 E106 Y107 E108 P122S101-L104 WeakPolarHBondContact OG-CB 3.49Å; S101-L104 PolarHBondContact OG-N 2.66Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 2.95Å; L104-Y107 WeakPolarHBondContact O-CB 3.45Å; L104-Y107 PolarHBondContact O-N 3.34Å; L104-Y107 VanDerWaalsContact O-N 3.17Å; L104-E108 HydrophobicContact CD1-CG 4.09Å; L104-E108 VanDerWaalsContact CD1-OE1 3.32Å; L104-E108 WeakPolarHBondContact CD1-OE1 3.48Å; L104-E108 HydrophobicContact CG-CG 4.3Å; L104-E108 WeakPolarHBondContact CG-OE1 3.42Å; L104-E108 WeakPolarHBondContact O-CG 3.44Å; L104-E108 PolarHBondContact O-N 2.91Å; L104-P122 HydrophobicContact CD1-CG 4.17Å
105G98.2Very high96.7Very high40 Ų4067.1 Ų67.141%0.41234%0.342SS..Hα-helixtrans-63.9-37.4-178.400000112.3V103 E108 E109V103-G105 PolarHBondContact O-N 3.07Å; G105-E108 PolarHBondContact O-N 2.83Å; G105-E109 VanDerWaalsContact O-CB 3.25Å; G105-E109 WeakPolarHBondContact O-CB 3.16Å; G105-E109 PolarHBondContact O-N 3.16Å
106E98.5Very high96.9Very high85 Ų8567.6 Ų67.640%0.39735%0.352SS..Hα-helixtrans-60.6-44.3172.7177.9-166.3163.300111.2V103 L104 Y110 K316 L319V103-E106 WeakPolarHBondContact O-CB 3.49Å; V103-E106 PolarHBondContact O-N 3.25Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 2.95Å; E106-Y110 WeakPolarHBondContact O-CB 3.42Å; E106-Y110 PolarHBondContact O-N 2.98Å; E106-K316 IonicContact OE1-NZ 3.76Å; E106-K316 PolarHBondContact OE1-NZ 2.93Å; E106-K316 IonicContact OE2-NZ 2.74Å; E106-K316 PolarHBondContact OE2-NZ 2.95Å; E106-L319 HydrophobicContact CG-CD1 3.99Å; E106-L319 WeakPolarHBondContact OE1-CD1 3.48Å
107Y98.7Very high97.4Very high1 Ų165.2 Ų65.20%0.00433%0.334CS..Hα-helixtrans-64.3-48.5175.8170.2-112.2000112.4V103 L104 E109 Y110 V111 L120 P122 C315 A318 L319V103-Y107 PolarHBondContact O-N 3.11Å; L104-Y107 WeakPolarHBondContact O-CB 3.45Å; L104-Y107 PolarHBondContact O-N 3.34Å; L104-Y107 VanDerWaalsContact O-N 3.17Å; Y107-E109 VanDerWaalsContact C-N 3.34Å; Y107-E109 PolarHBondContact O-N 2.66Å; Y107-Y110 PolarHBondContact O-N 3.16Å; Y107-V111 HydrophobicContact CD2-CG2 3.67Å; Y107-V111 HydrophobicContact CE2-CG2 3.36Å; Y107-V111 WeakPolarHBondContact O-CB 3.36Å; Y107-V111 VanDerWaalsContact O-CG2 3.25Å; Y107-V111 WeakPolarHBondContact O-CG2 3.33Å; Y107-V111 PolarHBondContact O-N 2.92Å; Y107-V111 VanDerWaalsContact O-N 3.09Å; Y107-L120 HydrophobicContact CD1-CD2 4.14Å; Y107-L120 HydrophobicContact CE1-CD1 4.13Å; Y107-L120 HydrophobicContact CE1-CD2 3.54Å; Y107-P122 HydrophobicContact CE1-CB 4.19Å; Y107-C315 HydrophobicContact CD1-CB 4.3Å; Y107-C315 VanDerWaalsContact CD1-SG 3.58Å; Y107-C315 HydrophobicContact CG-CB 3.98Å; Y107-A318 HydrophobicContact CD2-CB 4.14Å; Y107-A318 HydrophobicContact CE2-CB 3.46Å; Y107-A318 VanDerWaalsContact CE2-CB 3.46Å; Y107-L319 HydrophobicContact CD2-CD2 4.25Å; Y107-L319 HydrophobicContact CD2-CG 4.05Å
108E98.8Very high97.7Very high54 Ų5463.2 Ų63.225%0.25233%0.332SS..Hα-helixtrans-58.1-47.2177.2-72.5170.5173.400110.4R97 L104 G105 T112 L120R97-E108 IonicContact NH2-OE1 3.91Å; L104-E108 HydrophobicContact CD1-CG 4.09Å; L104-E108 VanDerWaalsContact CD1-OE1 3.32Å; L104-E108 WeakPolarHBondContact CD1-OE1 3.48Å; L104-E108 HydrophobicContact CG-CG 4.3Å; L104-E108 WeakPolarHBondContact CG-OE1 3.42Å; L104-E108 WeakPolarHBondContact O-CG 3.44Å; L104-E108 PolarHBondContact O-N 2.91Å; G105-E108 PolarHBondContact O-N 2.83Å; E108-T112 VanDerWaalsContact O-CB 3.3Å; E108-T112 WeakPolarHBondContact O-CB 3.46Å; E108-T112 VanDerWaalsContact O-CG2 3.26Å; E108-T112 WeakPolarHBondContact O-CG2 3.48Å; E108-T112 PolarHBondContact O-N 3.18Å; E108-T112 PolarHBondContact O-OG1 3.41Å; E108-L120 HydrophobicContact CG-CD2 4.02Å
109E98.8Very high98.1Very high103 Ų10362.4 Ų62.448%0.48131%0.312SS..Hα-helixtrans-61.7-49.4178.5-179.1-179.2-160.600112.8G105 Y107 V111 T112 K113G105-E109 VanDerWaalsContact O-CB 3.25Å; G105-E109 WeakPolarHBondContact O-CB 3.16Å; G105-E109 PolarHBondContact O-N 3.16Å; Y107-E109 VanDerWaalsContact C-N 3.34Å; Y107-E109 PolarHBondContact O-N 2.66Å; E109-V111 PolarHBondContact O-N 2.92Å; E109-T112 WeakPolarHBondContact CA-OG1 3.4Å; E109-T112 PolarHBondContact O-OG1 3.39Å; E109-K113 HydrophobicContact CG-CD 4.06Å; E109-K113 WeakPolarHBondContact O-CB 3.27Å; E109-K113 VanDerWaalsContact O-CG 3.31Å; E109-K113 WeakPolarHBondContact O-CG 3.44Å; E109-K113 PolarHBondContact O-N 2.82Å; E109-K113 VanDerWaalsContact O-N 3.09Å; E109-K113 WeakPolarHBondContact OE1-CE 3.16Å; E109-K113 IonicContact OE1-NZ 3.19Å; E109-K113 PolarHBondContact OE1-NZ 2.83Å
110Y98.8Very high98.3Very high69 Ų6956.9 Ų56.927%0.27129%0.285SS..Hα-helixtrans-59.9-48.1-178.8179.8-88.4000111.3E106 Y107 L114 L319 L322 E323E106-Y110 WeakPolarHBondContact O-CB 3.42Å; E106-Y110 PolarHBondContact O-N 2.98Å; Y107-Y110 PolarHBondContact O-N 3.16Å; Y110-L114 HydrophobicContact CE1-CD2 3.91Å; Y110-L114 VanDerWaalsContact O-CB 3.31Å; Y110-L114 WeakPolarHBondContact O-CB 3.32Å; Y110-L114 PolarHBondContact O-N 3.39Å; Y110-L319 VanDerWaalsContact CB-CD2 3.44Å; Y110-L319 HydrophobicContact CD1-CD2 3.63Å; Y110-L319 HydrophobicContact CD2-CD2 4.2Å; Y110-L319 HydrophobicContact CE1-CD2 4.45Å; Y110-L319 HydrophobicContact CG-CD2 3.48Å; Y110-L319 VanDerWaalsContact CG-CD2 3.48Å; Y110-L322 HydrophobicContact CD1-CD1 4.2Å; Y110-L322 HydrophobicContact CE1-CB 3.75Å; Y110-L322 HydrophobicContact CE1-CD1 4.03Å; Y110-E323 HydrophobicContact CE2-CG 4.39Å
111V98.8Very high98.4Very high0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-71.8-42.7-174.4-179.20000111.4Y107 E109 K113 L114 F115 L120 L290 L322Y107-V111 HydrophobicContact CD2-CG2 3.67Å; Y107-V111 HydrophobicContact CE2-CG2 3.36Å; Y107-V111 WeakPolarHBondContact O-CB 3.36Å; Y107-V111 VanDerWaalsContact O-CG2 3.25Å; Y107-V111 WeakPolarHBondContact O-CG2 3.33Å; Y107-V111 PolarHBondContact O-N 2.92Å; Y107-V111 VanDerWaalsContact O-N 3.09Å; E109-V111 PolarHBondContact O-N 2.92Å; V111-K113 VanDerWaalsContact C-N 3.34Å; V111-K113 PolarHBondContact O-N 3Å; V111-L114 PolarHBondContact O-N 2.9Å; V111-F115 HydrophobicContact CG1-CD2 3.69Å; V111-F115 HydrophobicContact CG1-CE2 3.92Å; V111-F115 VanDerWaalsContact O-CD2 3.3Å; V111-F115 WeakPolarHBondContact O-CD2 3.25Å; V111-F115 PolarHBondContact O-N 3.04Å; V111-L120 HydrophobicContact CB-CD1 3.66Å; V111-L120 HydrophobicContact CG1-CD1 3.27Å; V111-L120 HydrophobicContact CG2-CD1 4.2Å; V111-L290 HydrophobicContact CG1-CD2 3.81Å; V111-L322 HydrophobicContact CG2-CD1 3.56Å
112T98.9Very high98.5Very high18 Ų1847.6 Ų47.611%0.1125%0.25CC..Hα-helixtrans-59.8-43.3175.947.40000112.2E108 E109 G116 Y117 K119 L120E108-T112 VanDerWaalsContact O-CB 3.3Å; E108-T112 WeakPolarHBondContact O-CB 3.46Å; E108-T112 VanDerWaalsContact O-CG2 3.26Å; E108-T112 WeakPolarHBondContact O-CG2 3.48Å; E108-T112 PolarHBondContact O-N 3.18Å; E108-T112 PolarHBondContact O-OG1 3.41Å; E109-T112 WeakPolarHBondContact CA-OG1 3.4Å; E109-T112 PolarHBondContact O-OG1 3.39Å; T112-G116 WeakPolarHBondContact O-CA 3.07Å; T112-G116 PolarHBondContact O-N 3.22Å; T112-Y117 WeakPolarHBondContact CB-O 3.42Å; T112-Y117 PolarHBondContact O-N 3.49Å; T112-Y117 VanDerWaalsContact O-N 3.08Å; T112-K119 VanDerWaalsContact CG2-C 3.46Å; T112-L120 HydrophobicContact CG2-CB 4.02Å
113K98.8Very high98.5Very high145 Ų14541.2 Ų41.263%0.6322%0.216SC*.Hα-helixtrans-65.5-40.7174.2-72179.4-176.1175.40112.9E109 V111 F115E109-K113 HydrophobicContact CG-CD 4.06Å; E109-K113 WeakPolarHBondContact O-CB 3.27Å; E109-K113 VanDerWaalsContact O-CG 3.31Å; E109-K113 WeakPolarHBondContact O-CG 3.44Å; E109-K113 PolarHBondContact O-N 2.82Å; E109-K113 VanDerWaalsContact O-N 3.09Å; E109-K113 WeakPolarHBondContact OE1-CE 3.16Å; E109-K113 IonicContact OE1-NZ 3.19Å; E109-K113 PolarHBondContact OE1-NZ 2.83Å; V111-K113 VanDerWaalsContact C-N 3.34Å; V111-K113 PolarHBondContact O-N 3Å; K113-F115 VanDerWaalsContact C-N 3.35Å; K113-F115 PolarHBondContact O-N 3.42Å
114L98.7Very high98.5Very high37 Ų3742.5 Ų42.519%0.19422%0.222CC..Hα-helixtrans-64.3-39.1-178.6-178.961000112.4Y110 V111 L322 E326Y110-L114 HydrophobicContact CE1-CD2 3.91Å; Y110-L114 VanDerWaalsContact O-CB 3.31Å; Y110-L114 WeakPolarHBondContact O-CB 3.32Å; Y110-L114 PolarHBondContact O-N 3.39Å; V111-L114 PolarHBondContact O-N 2.9Å; L114-L322 HydrophobicContact CD2-CB 4.38Å; L114-L322 HydrophobicContact CD2-CD1 4.46Å; L114-L322 HydrophobicContact CD2-CD2 4.22Å; L114-E326 HydrophobicContact CD1-CG 4.09Å; L114-E326 HydrophobicContact CD2-CG 4.32Å
115F98.6Very high98.5Very high21 Ų2145 Ų459%0.09224%0.238CC..Hα-helixtrans-100.3-9.5-177-68.5-80.4000114.1V111 K113 Y117 L254 R260 L261 L275 L290 L322V111-F115 HydrophobicContact CG1-CD2 3.69Å; V111-F115 HydrophobicContact CG1-CE2 3.92Å; V111-F115 VanDerWaalsContact O-CD2 3.3Å; V111-F115 WeakPolarHBondContact O-CD2 3.25Å; V111-F115 PolarHBondContact O-N 3.04Å; K113-F115 VanDerWaalsContact C-N 3.35Å; K113-F115 PolarHBondContact O-N 3.42Å; F115-Y117 HydrophobicContact CB-CD2 3.72Å; F115-Y117 HydrophobicContact CB-CE2 3.92Å; F115-Y117 WeakPolarHBondContact O-CD2 3.15Å; F115-Y117 WeakPolarHBondContact O-CE2 3.32Å; F115-L254 HydrophobicContact CE1-CD2 4.4Å; F115-L254 HydrophobicContact CZ-CD2 3.66Å; F115-R260 HydrophobicContact CD1-CG 4.4Å; F115-R260 HydrophobicContact CE1-CG 3.68Å; F115-R260 HydrophobicContact CZ-CG 4.24Å; F115-L261 HydrophobicContact CD1-CD1 3.92Å; F115-L261 HydrophobicContact CD1-CD2 4.08Å; F115-L261 HydrophobicContact CD1-CG 4.01Å; F115-L261 HydrophobicContact CE1-CD1 4.35Å; F115-L261 HydrophobicContact CE1-CD2 3.67Å; F115-L261 HydrophobicContact CE1-CG 3.95Å; F115-L275 HydrophobicContact CD2-CD1 4.24Å; F115-L275 HydrophobicContact CE1-CD1 4.2Å; F115-L275 HydrophobicContact CE2-CD1 3.77Å; F115-L275 HydrophobicContact CZ-CD1 3.75Å; F115-L290 HydrophobicContact CB-CD2 3.76Å; F115-L290 HydrophobicContact CD2-CD2 4.01Å; F115-L290 HydrophobicContact CG-CD2 4.14Å; F115-L322 HydrophobicContact CE2-CD2 4.3Å; F115-L322 HydrophobicContact CZ-CD2 4.33Å
116G98.6Very high98.5Very high42 Ų4243.9 Ų43.943%0.43323%0.227SC..THydrogen-bonded Turntrans73.152.217700000113.8T112 R269T112-G116 WeakPolarHBondContact O-CA 3.07Å; T112-G116 PolarHBondContact O-N 3.22Å; G116-R269 PolarHBondContact O-NE 2.94Å; G116-R269 PolarHBondContact O-NH2 3.48Å
117Y98.9Very high98.5Very high13 Ų1341.7 Ų41.75%0.05122%0.22CC..  trans-130159.5175.6-67.5-87.1000111.3T112 F115 R269 P270 V273 L290T112-Y117 WeakPolarHBondContact CB-O 3.42Å; T112-Y117 PolarHBondContact O-N 3.49Å; T112-Y117 VanDerWaalsContact O-N 3.08Å; F115-Y117 HydrophobicContact CB-CD2 3.72Å; F115-Y117 HydrophobicContact CB-CE2 3.92Å; F115-Y117 WeakPolarHBondContact O-CD2 3.15Å; F115-Y117 WeakPolarHBondContact O-CE2 3.32Å; Y117-R269 HydrophobicContact CE1-CG 4.49Å; Y117-P270 WeakPolarHBondContact CE1-O 3.24Å; Y117-P270 WeakPolarHBondContact OH-CD 3.42Å; Y117-P270 PolarHBondContact OH-O 2.95Å; Y117-P270 VanDerWaalsContact OH-O 3.13Å; Y117-V273 HydrophobicContact CD2-CG1 4.27Å; Y117-V273 HydrophobicContact CE1-CG1 4.49Å; Y117-V273 HydrophobicContact CE2-CG1 3.54Å; Y117-L290 HydrophobicContact CD1-CB 4.43Å; Y117-L290 HydrophobicContact CD2-CB 3.82Å; Y117-L290 HydrophobicContact CD2-CD2 3.85Å; Y117-L290 HydrophobicContact CE2-CB 4.36Å; Y117-L290 HydrophobicContact CG-CB 3.86Å; Y117-L290 HydrophobicContact CG-CD2 4.44Å
118D98.8Very high98.5Very high86 Ų8643.7 Ų43.746%0.4623%0.229SC..SBendtrans-75.8-32179.7-60.8-30.7000113.9D292 D293D118-D292 PolarHBondContact N-OD1 3.23Å; D118-D292 WeakPolarHBondContact OD2-CA 3.34Å; D118-D292 WeakPolarHBondContact OD2-CB 3.35Å; D118-D293 HydrophobicContact CB-CB 4.45Å; D118-D293 PolarHBondContact OD2-N 3.19Å
119K98.8Very high98.5Very high75 Ų7541.1 Ų41.133%0.32622%0.217SC..EExtended strand (participates in β ladder)trans-142.1149.9-172.5-64.7-73.7179.7-60.10112.6T112 L290 C291 D293 M296T112-K119 VanDerWaalsContact CG2-C 3.46Å; K119-L290 WeakPolarHBondContact O-CA 3.44Å; K119-C291 PolarHBondContact N-O 2.9Å; K119-C291 PolarHBondContact O-N 3.16Å; K119-D293 WeakPolarHBondContact CE-OD1 3.09Å; K119-D293 WeakPolarHBondContact CG-OD1 3.34Å; K119-D293 IonicContact NZ-OD1 3.02Å; K119-D293 PolarHBondContact NZ-OD1 3.34Å; K119-D293 IonicContact NZ-OD2 3.43Å; K119-D293 PolarHBondContact NZ-OD2 3.23Å; K119-M296 HydrophobicContact CB-CB 3.85Å; K119-M296 HydrophobicContact CB-CE 3.91Å; K119-M296 HydrophobicContact CB-CG 3.61Å; K119-M296 HydrophobicContact CG-CB 4.05Å; K119-M296 HydrophobicContact CG-CG 4.01Å
120L98.6Very high98.5Very high11 Ų1136.2 Ų36.26%0.05819%0.194CC..EExtended strand (participates in β ladder)trans-121.1137.8166.6173.5145.6000109.2Y107 E108 V111 T112 P122 A288 V289 L290Y107-L120 HydrophobicContact CD1-CD2 4.14Å; Y107-L120 HydrophobicContact CE1-CD1 4.13Å; Y107-L120 HydrophobicContact CE1-CD2 3.54Å; E108-L120 HydrophobicContact CG-CD2 4.02Å; V111-L120 HydrophobicContact CB-CD1 3.66Å; V111-L120 HydrophobicContact CG1-CD1 3.27Å; V111-L120 HydrophobicContact CG2-CD1 4.2Å; T112-L120 HydrophobicContact CG2-CB 4.02Å; L120-P122 HydrophobicContact CD2-CB 3.97Å; L120-P122 HydrophobicContact CD2-CG 4.21Å; L120-A288 HydrophobicContact CD1-CB 3.6Å; L120-A288 HydrophobicContact CD2-CB 4.37Å; L120-A288 HydrophobicContact CG-CB 3.91Å; L120-V289 CarbonylContact C-O 3.41Å; L120-V289 WeakPolarHBondContact CA-O 3.39Å; L120-L290 HydrophobicContact CB-CG 4.33Å; L120-L290 HydrophobicContact CD1-CD1 4.32Å; L120-L290 HydrophobicContact CD1-CG 4.17Å; L120-L290 HydrophobicContact CG-CG 4.46Å
121L98.3Very high98.5Very high41 Ų4135.5 Ų35.522%0.21519%0.193CC..EExtended strand (participates in β ladder)trans-114.7112.2167.8-171.994.3000109.4T132 A288 V289 M296L121-T132 HydrophobicContact CD2-CG2 3.19Å; L121-A288 WeakPolarHBondContact O-CA 3.15Å; L121-V289 PolarHBondContact N-O 3.16Å; L121-V289 PolarHBondContact O-N 2.65Å; L121-M296 HydrophobicContact CB-CE 3.91Å; L121-M296 HydrophobicContact CB-SD 3.85Å
122P98.2Very high98.5Very high9 Ų935.5 Ų35.56%0.05819%0.193CC..EExtended strand (participates in β ladder)trans-81.6143.7-17832.5-32.4000112.5L104 Y107 L120 G310L104-P122 HydrophobicContact CD1-CG 4.17Å; Y107-P122 HydrophobicContact CE1-CB 4.19Å; L120-P122 HydrophobicContact CD2-CB 3.97Å; L120-P122 HydrophobicContact CD2-CG 4.21Å; P122-G310 VanDerWaalsContact CG-CA 3.43Å
123T97.8Very high98.5Very high2 Ų234.7 Ų34.71%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-140.8-174.5177.348.50000108.9E128 A129 S287T123-E128 HydrophobicContact CG2-CG 3.82Å; T123-A129 WeakPolarHBondContact OG1-CB 3.4Å; T123-S287 CarbonylContact C-O 3.59Å; T123-S287 WeakPolarHBondContact CB-OG 3.36Å; T123-S287 PolarHBondContact N-O 3.29Å; T123-S287 PolarHBondContact O-N 2.86Å; T123-S287 PolarHBondContact O-OG 2.75Å; T123-S287 PolarHBondContact OG1-O 2.86Å; T123-S287 PolarHBondContact OG1-OG 3.18Å
124N97.5Very high98.5Very high27 Ų2728 Ų2814%0.14416%0.159CC..SBendtrans-109.6-30.1-173.4-47-70000114.3E128 P285 V286 S287 S306 Y308 G309N124-E128 WeakPolarHBondContact CB-OE2 3.07Å; N124-E128 PolarHBondContact N-OE2 3.1Å; N124-E128 PolarHBondContact ND2-OE1 3.13Å; N124-E128 PolarHBondContact ND2-OE2 2.87Å; N124-P285 HydrophobicContact CB-CB 4.26Å; N124-P285 CarbonylContact O-C 3.47Å; N124-P285 WeakPolarHBondContact O-CA 3.44Å; N124-P285 WeakPolarHBondContact O-CB 3.13Å; N124-V286 PolarHBondContact O-N 3Å; N124-S287 VanDerWaalsContact C-OG 3.26Å; N124-S287 PolarHBondContact N-OG 2.95Å; N124-S306 PolarHBondContact ND2-OG 3.39Å; N124-Y308 WeakPolarHBondContact OD1-CB 3.27Å; N124-Y308 PolarHBondContact OD1-O 2.98Å; N124-G309 PolarHBondContact OD1-N 2.81Å
125T98.1Very high98.5Very high65 Ų6530.5 Ų30.540%0.39917%0.169SC..SBendtrans-133.5153.2-175.8670000111.9V127 E128 A129 S287T125-V127 VanDerWaalsContact C-N 3.26Å; T125-V127 PolarHBondContact O-N 2.77Å; T125-V127 WeakPolarHBondContact OG1-CG1 3.4Å; T125-E128 WeakPolarHBondContact O-CB 3.49Å; T125-E128 PolarHBondContact O-N 3.35Å; T125-E128 WeakPolarHBondContact OG1-CB 3.38Å; T125-E128 PolarHBondContact OG1-N 3.41Å; T125-A129 PolarHBondContact O-N 3.14Å; T125-S287 PolarHBondContact N-OG 3.49Å; T125-S287 PolarHBondContact O-OG 3.31Å
126G98.2Very high98.5Very high18 Ų1829.5 Ų29.519%0.18616%0.164CC..Hα-helixtrans-53.1-43.1178.600000113.1E128 A129 C130G126-E128 VanDerWaalsContact C-N 3.34Å; G126-E128 PolarHBondContact O-N 2.83Å; G126-A129 PolarHBondContact O-N 3.09Å; G126-C130 PolarHBondContact O-N 3.22Å; G126-C130 PolarHBondContact O-SG 3.04Å
127V98.5Very high98.5Very high39 Ų3927.5 Ų27.524%0.23614%0.144CC..Hα-helixtrans-64.2-38177.666.40000112.4T125 A129 C130 E131 W162 S165 A168T125-V127 VanDerWaalsContact C-N 3.26Å; T125-V127 PolarHBondContact O-N 2.77Å; T125-V127 WeakPolarHBondContact OG1-CG1 3.4Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3.44Å; V127-C130 PolarHBondContact O-N 3Å; V127-E131 HydrophobicContact CG2-CG 4.36Å; V127-E131 WeakPolarHBondContact O-CB 3.45Å; V127-E131 WeakPolarHBondContact O-CG 3.08Å; V127-E131 PolarHBondContact O-N 3.3Å; V127-W162 WeakPolarHBondContact CA-O 3.33Å; V127-W162 WeakPolarHBondContact CB-O 3.45Å; V127-W162 HydrophobicContact CG2-CE3 4.36Å; V127-W162 WeakPolarHBondContact CG2-O 3.48Å; V127-S165 WeakPolarHBondContact CG2-OG 3.13Å; V127-A168 HydrophobicContact CG2-CB 4.23Å
128E98.3Very high98.5Very high42 Ų4228.8 Ų28.820%0.19615%0.149CC..Hα-helixtrans-64.1-40.6175.9-170.5-175.7177.900111.3T123 N124 T125 G126 T132 S306T123-E128 HydrophobicContact CG2-CG 3.82Å; N124-E128 WeakPolarHBondContact CB-OE2 3.07Å; N124-E128 PolarHBondContact N-OE2 3.1Å; N124-E128 PolarHBondContact ND2-OE1 3.13Å; N124-E128 PolarHBondContact ND2-OE2 2.87Å; T125-E128 WeakPolarHBondContact O-CB 3.49Å; T125-E128 PolarHBondContact O-N 3.35Å; T125-E128 WeakPolarHBondContact OG1-CB 3.38Å; T125-E128 PolarHBondContact OG1-N 3.41Å; G126-E128 VanDerWaalsContact C-N 3.34Å; G126-E128 PolarHBondContact O-N 2.83Å; E128-T132 WeakPolarHBondContact O-CB 3.47Å; E128-T132 PolarHBondContact O-N 3.36Å; E128-T132 PolarHBondContact O-OG1 3.06Å; E128-S306 WeakPolarHBondContact OE1-CB 3.23Å; E128-S306 PolarHBondContact OE1-OG 2.75Å
129A98.7Very high98.5Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-66.9-41.3175.700000111.7T123 T125 G126 V127 T132 A133 V274 V289T123-A129 WeakPolarHBondContact OG1-CB 3.4Å; T125-A129 PolarHBondContact O-N 3.14Å; G126-A129 PolarHBondContact O-N 3.09Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3.44Å; A129-T132 VanDerWaalsContact O-CB 3.3Å; A129-T132 WeakPolarHBondContact O-CB 3.18Å; A129-T132 PolarHBondContact O-N 2.71Å; A129-A133 PolarHBondContact O-N 2.95Å; A129-V274 HydrophobicContact CB-CG1 3.35Å; A129-V289 HydrophobicContact CB-CG2 3.94Å; A129-V289 WeakPolarHBondContact O-CG2 3.32Å
130C98.8Very high98.5Very high0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-66.4-43.4175.6-67.20000112.7G126 V127 T132 A133 V134 W162 M213 D248G126-C130 PolarHBondContact O-N 3.22Å; G126-C130 PolarHBondContact O-SG 3.04Å; V127-C130 PolarHBondContact O-N 3Å; C130-T132 PolarHBondContact O-N 2.85Å; C130-A133 PolarHBondContact O-N 3.31Å; C130-A133 VanDerWaalsContact O-N 3.15Å; C130-V134 WeakPolarHBondContact O-CG2 3.35Å; C130-V134 PolarHBondContact O-N 2.78Å; C130-W162 HydrophobicContact CB-CB 4.13Å; C130-W162 HydrophobicContact CB-CD2 4.05Å; C130-W162 HydrophobicContact CB-CE3 3.28Å; C130-W162 HydrophobicContact CB-CG 4.46Å; C130-W162 HydrophobicContact CB-CZ3 3.9Å; C130-M213 HydrophobicContact CB-CE 3.58Å; C130-M213 HydrophobicContact CB-SD 4.48Å; C130-M213 WeakPolarHBondContact SG-CE 3.25Å; C130-D248 PolarHBondContact SG-OD2 3.26Å
131E98.5Very high98.5Very high54 Ų5425.7 Ų25.725%0.25213%0.127SC..Hα-helixtrans-56.1-40.3170.8-72.2-78.6-170.700110.9V127 V134 K135 W162 S165 A167V127-E131 HydrophobicContact CG2-CG 4.36Å; V127-E131 WeakPolarHBondContact O-CB 3.45Å; V127-E131 WeakPolarHBondContact O-CG 3.08Å; V127-E131 PolarHBondContact O-N 3.3Å; E131-V134 PolarHBondContact O-N 2.89Å; E131-K135 WeakPolarHBondContact O-CG 3.32Å; E131-K135 PolarHBondContact O-N 3.18Å; E131-W162 HydrophobicContact CG-CZ3 3.95Å; E131-S165 WeakPolarHBondContact OE1-CB 3.14Å; E131-S165 PolarHBondContact OE1-OG 2.77Å; E131-A167 VanDerWaalsContact OE1-CB 3.24Å; E131-A167 WeakPolarHBondContact OE1-CB 3.36Å; E131-A167 WeakPolarHBondContact OE2-CB 3.42Å
132T98.5Very high98.5Very high1 Ų126.3 Ų26.31%0.00613%0.128CC..Hα-helixtrans-64.8-45.8176.3-55.40000111.6L121 E128 A129 C130 V134 K135 L136 V289 H304L121-T132 HydrophobicContact CD2-CG2 3.19Å; E128-T132 WeakPolarHBondContact O-CB 3.47Å; E128-T132 PolarHBondContact O-N 3.36Å; E128-T132 PolarHBondContact O-OG1 3.06Å; A129-T132 VanDerWaalsContact O-CB 3.3Å; A129-T132 WeakPolarHBondContact O-CB 3.18Å; A129-T132 PolarHBondContact O-N 2.71Å; C130-T132 PolarHBondContact O-N 2.85Å; T132-V134 VanDerWaalsContact C-N 3.32Å; T132-V134 PolarHBondContact O-N 2.75Å; T132-K135 WeakPolarHBondContact O-CB 3.46Å; T132-K135 PolarHBondContact O-N 3.08Å; T132-K135 VanDerWaalsContact O-N 3.15Å; T132-L136 HydrophobicContact CG2-CD1 4.05Å; T132-L136 HydrophobicContact CG2-CG 4.47Å; T132-L136 WeakPolarHBondContact O-CB 3.4Å; T132-L136 WeakPolarHBondContact O-CG 3.44Å; T132-L136 PolarHBondContact O-N 3.5Å; T132-V289 HydrophobicContact CG2-CG2 4.01Å; T132-H304 PolarHBondContact OG1-CE1 2.83Å; T132-H304 PolarHBondContact OG1-NE2 3.09Å
133A98.9Very high98.5Very high0 Ų028.3 Ų28.30%014%0.138CC..Hα-helixtrans-59.7-42.2176.800000111.6A129 C130 L136 A137 I246 I272 V274 V289A129-A133 PolarHBondContact O-N 2.95Å; C130-A133 PolarHBondContact O-N 3.31Å; C130-A133 VanDerWaalsContact O-N 3.15Å; A133-L136 PolarHBondContact O-N 2.69Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 2.91Å; A133-I246 HydrophobicContact CB-CD1 4.27Å; A133-I246 HydrophobicContact CB-CG2 3.94Å; A133-I272 HydrophobicContact CB-CG2 3.96Å; A133-V274 HydrophobicContact CB-CG2 3.8Å; A133-V289 HydrophobicContact CB-CG1 4.4Å
134V98.8Very high98.5Very high5 Ų532 Ų323%0.0316%0.16CC..Hα-helixtrans-62.6-43.3173.7171.20000111.6C130 E131 T132 A137 R138 V154 F156 W162 F188 M213C130-V134 WeakPolarHBondContact O-CG2 3.35Å; C130-V134 PolarHBondContact O-N 2.78Å; E131-V134 PolarHBondContact O-N 2.89Å; T132-V134 VanDerWaalsContact C-N 3.32Å; T132-V134 PolarHBondContact O-N 2.75Å; V134-A137 PolarHBondContact O-N 3.43Å; V134-R138 WeakPolarHBondContact O-CB 3.28Å; V134-R138 WeakPolarHBondContact O-CG 3.18Å; V134-R138 PolarHBondContact O-N 3.38Å; V134-V154 HydrophobicContact CG1-CG2 4.35Å; V134-F156 HydrophobicContact CG2-CZ 4.02Å; V134-W162 HydrophobicContact CG2-CH2 4.2Å; V134-F188 HydrophobicContact CG1-CE1 3.82Å; V134-F188 HydrophobicContact CG1-CZ 3.88Å; V134-M213 HydrophobicContact CG2-SD 4.22Å
135K98.4Very high98.5Very high89 Ų8932.8 Ų32.839%0.38716%0.162SC..Hα-helixtrans-61.2-46.3175.4-79.1-178.965.2176.80111.7E131 T132 R138 R139 Q303 H304E131-K135 WeakPolarHBondContact O-CG 3.32Å; E131-K135 PolarHBondContact O-N 3.18Å; T132-K135 WeakPolarHBondContact O-CB 3.46Å; T132-K135 PolarHBondContact O-N 3.08Å; T132-K135 VanDerWaalsContact O-N 3.15Å; K135-R138 PolarHBondContact O-N 2.9Å; K135-R139 VanDerWaalsContact O-CB 3.22Å; K135-R139 WeakPolarHBondContact O-CB 3.35Å; K135-R139 PolarHBondContact O-N 3.23Å; K135-Q303 PolarHBondContact NZ-O 3.24Å; K135-H304 PolarHBondContact NZ-ND1 2.86Å
136L98.8Very high98.5Very high0 Ų037.1 Ų37.10%018%0.175CC..Hα-helixtrans-58.8-49.7176.9-78.6164.9000110.7T132 A133 R138 R139 W140 I272 V289 I295 M296 V298 I299T132-L136 HydrophobicContact CG2-CD1 4.05Å; T132-L136 HydrophobicContact CG2-CG 4.47Å; T132-L136 WeakPolarHBondContact O-CB 3.4Å; T132-L136 WeakPolarHBondContact O-CG 3.44Å; T132-L136 PolarHBondContact O-N 3.5Å; A133-L136 PolarHBondContact O-N 2.69Å; L136-R138 PolarHBondContact O-N 3.48Å; L136-R139 PolarHBondContact O-N 2.94Å; L136-W140 VanDerWaalsContact O-CB 3.27Å; L136-W140 WeakPolarHBondContact O-CB 3.21Å; L136-W140 PolarHBondContact O-N 2.68Å; L136-I272 HydrophobicContact CB-CD1 4.11Å; L136-V289 HydrophobicContact CD1-CG1 3.78Å; L136-I295 HydrophobicContact CB-CG2 4.28Å; L136-I295 WeakPolarHBondContact CD2-O 3.3Å; L136-M296 HydrophobicContact CD1-SD 4.06Å; L136-M296 HydrophobicContact CD2-SD 4.18Å; L136-V298 HydrophobicContact CD2-CG2 4.15Å; L136-I299 HydrophobicContact CD2-CD1 3.45Å; L136-I299 VanDerWaalsContact CD2-CD1 3.45Å; L136-I299 HydrophobicContact CD2-CG1 3.78Å; L136-I299 HydrophobicContact CG-CD1 3.74Å
137A98.9Very high98.6Very high0 Ų036.7 Ų36.70%017%0.169CC..Hα-helixtrans-60.2-45.6179.100000113A133 V134 A141 A211 L244 I246A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 2.91Å; V134-A137 PolarHBondContact O-N 3.43Å; A137-A141 WeakPolarHBondContact O-CB 3.25Å; A137-A141 PolarHBondContact O-N 2.89Å; A137-A211 HydrophobicContact CB-CB 3.65Å; A137-L244 HydrophobicContact CB-CD1 4.16Å; A137-I246 HydrophobicContact CB-CD1 3.99Å
138R98.6Very high98.6Very high41 Ų4137.4 Ų37.416%0.15517%0.174CC..Hα-helixtrans-64.6-44.5176.3-75.2-177.6164.8-179.7-3111.8V134 K135 L136 A141 Y142 A152 V154 M185 P186 G187 F188V134-R138 WeakPolarHBondContact O-CB 3.28Å; V134-R138 WeakPolarHBondContact O-CG 3.18Å; V134-R138 PolarHBondContact O-N 3.38Å; K135-R138 PolarHBondContact O-N 2.9Å; L136-R138 PolarHBondContact O-N 3.48Å; R138-A141 WeakPolarHBondContact O-CB 3.37Å; R138-A141 PolarHBondContact O-N 3.26Å; R138-Y142 HydrophobicContact CB-CE2 4.04Å; R138-Y142 WeakPolarHBondContact O-CD2 3.45Å; R138-Y142 WeakPolarHBondContact O-CE2 3.47Å; R138-Y142 PolarHBondContact O-N 3.39Å; R138-A152 HydrophobicContact CB-CB 4.39Å; R138-A152 HydrophobicContact CG-CB 4.03Å; R138-V154 HydrophobicContact CG-CG2 4.22Å; R138-M185 PolarHBondContact NH1-SD 3.18Å; R138-P186 PolarHBondContact NH2-O 2.9Å; R138-G187 PolarHBondContact NH2-O 3.45Å; R138-F188 VanDerWaalsContact NH2-CD1 3.3Å; R138-F188 VanDerWaalsContact NH2-CE1 3.27Å
139R98.5Very high98.5Very high92 Ų9243.5 Ų43.535%0.34720%0.2SC..Hα-helixtrans-63.9-43.8179.8-174.966.7-174.5174.615.7111.1K135 L136 A141 Y142 D143 V298K135-R139 VanDerWaalsContact O-CB 3.22Å; K135-R139 WeakPolarHBondContact O-CB 3.35Å; K135-R139 PolarHBondContact O-N 3.23Å; L136-R139 PolarHBondContact O-N 2.94Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 2.96Å; R139-Y142 PolarHBondContact O-N 3.32Å; R139-D143 IonicContact CZ-OD1 2.58Å; R139-D143 VanDerWaalsContact CZ-OD1 3.25Å; R139-D143 IonicContact CZ-OD2 3.25Å; R139-D143 IonicContact NE-OD1 2.72Å; R139-D143 PolarHBondContact NE-OD1 3.33Å; R139-D143 IonicContact NE-OD2 3.78Å; R139-D143 PolarHBondContact NE-OD2 3.28Å; R139-D143 IonicContact NH1-OD1 2.82Å; R139-D143 IonicContact NH2-OD1 3.22Å; R139-D143 PolarHBondContact NH2-OD1 3.05Å; R139-D143 IonicContact NH2-OD2 3.22Å; R139-D143 PolarHBondContact NH2-OD2 3.13Å; R139-D143 WeakPolarHBondContact O-CB 3.29Å; R139-D143 PolarHBondContact O-N 2.91Å; R139-V298 HydrophobicContact CB-CB 4.45Å; R139-V298 HydrophobicContact CB-CG2 3.71Å; R139-V298 HydrophobicContact CG-CB 3.76Å; R139-V298 HydrophobicContact CG-CG2 3.47Å; R139-V298 VanDerWaalsContact CG-CG2 3.47Å; R139-V298 PolarHBondContact NE-O 3.4Å
140W98.8Very high98.5Very high14 Ų1449.6 Ų49.65%0.05323%0.233CC..Hα-helixtrans-58.7-43171.417591000111.8L136 Y142 D143 V144 K145 N242 L244 V298L136-W140 VanDerWaalsContact O-CB 3.27Å; L136-W140 WeakPolarHBondContact O-CB 3.21Å; L136-W140 PolarHBondContact O-N 2.68Å; W140-Y142 VanDerWaalsContact C-N 3.33Å; W140-Y142 PolarHBondContact O-N 3.46Å; W140-D143 PolarHBondContact O-N 3.24Å; W140-V144 HydrophobicContact CD2-CB 4.48Å; W140-V144 HydrophobicContact CG-CB 4.25Å; W140-V144 HydrophobicContact CG-CG2 4.35Å; W140-V144 WeakPolarHBondContact O-CA 3.39Å; W140-V144 VanDerWaalsContact O-CB 3.29Å; W140-V144 WeakPolarHBondContact O-CB 3.48Å; W140-V144 PolarHBondContact O-N 3.42Å; W140-K145 HydrophobicContact CE3-CB 4.28Å; W140-K145 HydrophobicContact CH2-CB 3.97Å; W140-K145 HydrophobicContact CH2-CD 3.93Å; W140-K145 HydrophobicContact CH2-CG 4.35Å; W140-K145 HydrophobicContact CZ3-CB 3.85Å; W140-K145 HydrophobicContact CZ3-CD 3.71Å; W140-K145 HydrophobicContact CZ3-CG 4.33Å; W140-K145 PolarHBondContact O-N 2.97Å; W140-K145 VanDerWaalsContact O-N 3.11Å; W140-N242 WeakPolarHBondContact CH2-O 3.39Å; W140-N242 WeakPolarHBondContact CH2-OD1 3.41Å; W140-L244 HydrophobicContact CB-CD1 4.23Å; W140-L244 HydrophobicContact CD2-CD1 3.78Å; W140-L244 HydrophobicContact CD2-CD2 4.12Å; W140-L244 HydrophobicContact CD2-CG 4.05Å; W140-L244 HydrophobicContact CE3-CD1 3.7Å; W140-L244 HydrophobicContact CE3-CD2 4.22Å; W140-L244 HydrophobicContact CE3-CG 3.75Å; W140-L244 HydrophobicContact CG-CD1 4Å; W140-L244 HydrophobicContact CH2-CD2 4.12Å; W140-L244 HydrophobicContact CH2-CG 4.25Å; W140-L244 HydrophobicContact CZ2-CD2 4.01Å; W140-L244 HydrophobicContact CZ3-CD1 4.33Å; W140-L244 HydrophobicContact CZ3-CD2 4.22Å; W140-L244 HydrophobicContact CZ3-CG 3.86Å; W140-V298 HydrophobicContact CB-CG1 4.37Å
141A98.7Very high98.5Very high0 Ų054.2 Ų54.20%026%0.255CS..Hα-helixtrans-62.3-40179.100000112.5A137 R138 R139 K145 K146 V147 A152 A210A137-A141 WeakPolarHBondContact O-CB 3.25Å; A137-A141 PolarHBondContact O-N 2.89Å; R138-A141 WeakPolarHBondContact O-CB 3.37Å; R138-A141 PolarHBondContact O-N 3.26Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 2.96Å; A141-K145 CarbonylContact O-C 3.39Å; A141-K145 WeakPolarHBondContact O-CB 3.34Å; A141-K146 PolarHBondContact O-N 3.02Å; A141-V147 HydrophobicContact CB-CB 4.26Å; A141-V147 HydrophobicContact CB-CG2 3.94Å; A141-V147 WeakPolarHBondContact O-CB 3.44Å; A141-V147 PolarHBondContact O-N 2.86Å; A141-A152 HydrophobicContact CB-CB 4.01Å; A141-A210 HydrophobicContact CB-CB 3.47Å; A141-A210 VanDerWaalsContact CB-CB 3.47Å
142Y98.6Very high98.5Very high55 Ų5551.7 Ų51.722%0.21624%0.243CC..Hα-helixtrans-74-47.9176.9-58.2-46000112.5R138 R139 W140 V147 P148 N150 A152R138-Y142 HydrophobicContact CB-CE2 4.04Å; R138-Y142 WeakPolarHBondContact O-CD2 3.45Å; R138-Y142 WeakPolarHBondContact O-CE2 3.47Å; R138-Y142 PolarHBondContact O-N 3.39Å; R139-Y142 PolarHBondContact O-N 3.32Å; W140-Y142 VanDerWaalsContact C-N 3.33Å; W140-Y142 PolarHBondContact O-N 3.46Å; Y142-V147 HydrophobicContact CD1-CB 4.32Å; Y142-V147 WeakPolarHBondContact CD1-O 3.5Å; Y142-V147 HydrophobicContact CE1-CG1 4.34Å; Y142-P148 VanDerWaalsContact CE1-O 3.3Å; Y142-P148 WeakPolarHBondContact CE1-O 3.25Å; Y142-N150 VanDerWaalsContact OH-CA 3.25Å; Y142-N150 WeakPolarHBondContact OH-CA 3.26Å; Y142-N150 PolarHBondContact OH-N 3.44Å; Y142-A152 HydrophobicContact CD1-CB 4.36Å; Y142-A152 HydrophobicContact CE1-CB 3.54Å; Y142-A152 HydrophobicContact CE2-CB 4.27Å; Y142-A152 VanDerWaalsContact CZ-CB 3.47Å; Y142-A152 WeakPolarHBondContact OH-CB 3.43Å; Y142-A152 PolarHBondContact OH-N 2.99Å
143D98.3Very high98.5Very high51 Ų5153.2 Ų53.227%0.27325%0.251SS..Hα-helixtrans-80.3-37.2-170.9-73.44.9000112.7R139 W140 K146R139-D143 IonicContact CZ-OD1 2.58Å; R139-D143 VanDerWaalsContact CZ-OD1 3.25Å; R139-D143 IonicContact CZ-OD2 3.25Å; R139-D143 IonicContact NE-OD1 2.72Å; R139-D143 PolarHBondContact NE-OD1 3.33Å; R139-D143 IonicContact NE-OD2 3.78Å; R139-D143 PolarHBondContact NE-OD2 3.28Å; R139-D143 IonicContact NH1-OD1 2.82Å; R139-D143 IonicContact NH2-OD1 3.22Å; R139-D143 PolarHBondContact NH2-OD1 3.05Å; R139-D143 IonicContact NH2-OD2 3.22Å; R139-D143 PolarHBondContact NH2-OD2 3.13Å; R139-D143 WeakPolarHBondContact O-CB 3.29Å; R139-D143 PolarHBondContact O-N 2.91Å; W140-D143 PolarHBondContact O-N 3.24Å; D143-K146 WeakPolarHBondContact O-CE 3.43Å; D143-K146 PolarHBondContact O-NZ 3.4Å
144V98.3Very high98.5Very high78 Ų7853.2 Ų53.247%0.47325%0.251SS..THydrogen-bonded Turntrans-106.3-58.6-172.5-175.10000110.8W140 K146 V298W140-V144 HydrophobicContact CD2-CB 4.48Å; W140-V144 HydrophobicContact CG-CB 4.25Å; W140-V144 HydrophobicContact CG-CG2 4.35Å; W140-V144 WeakPolarHBondContact O-CA 3.39Å; W140-V144 VanDerWaalsContact O-CB 3.29Å; W140-V144 WeakPolarHBondContact O-CB 3.48Å; W140-V144 PolarHBondContact O-N 3.42Å; V144-K146 PolarHBondContact O-N 3.3Å; V144-V298 HydrophobicContact CG2-CG1 4.1Å
145K98.2Very high98.5Very high44 Ų4453 Ų5319%0.19125%0.249CC..SBendtrans-70.6-14.2-179.7-171173.6178.3167.20113.4W140 A141 V147 P207 V209 N241 N242W140-K145 HydrophobicContact CE3-CB 4.28Å; W140-K145 HydrophobicContact CH2-CB 3.97Å; W140-K145 HydrophobicContact CH2-CD 3.93Å; W140-K145 HydrophobicContact CH2-CG 4.35Å; W140-K145 HydrophobicContact CZ3-CB 3.85Å; W140-K145 HydrophobicContact CZ3-CD 3.71Å; W140-K145 HydrophobicContact CZ3-CG 4.33Å; W140-K145 PolarHBondContact O-N 2.97Å; W140-K145 VanDerWaalsContact O-N 3.11Å; A141-K145 CarbonylContact O-C 3.39Å; A141-K145 WeakPolarHBondContact O-CB 3.34Å; K145-V147 VanDerWaalsContact C-N 3.32Å; K145-V147 HydrophobicContact CB-CG2 4.35Å; K145-V147 HydrophobicContact CD-CG2 4.1Å; K145-V147 HydrophobicContact CG-CG2 4.1Å; K145-V147 PolarHBondContact O-N 3.42Å; K145-P207 VanDerWaalsContact CE-O 3.3Å; K145-P207 WeakPolarHBondContact CE-O 3.5Å; K145-V209 PolarHBondContact NZ-O 3.2Å; K145-N241 PolarHBondContact NZ-O 3.32Å; K145-N242 WeakPolarHBondContact CD-O 3.45Å; K145-N242 WeakPolarHBondContact CE-O 3.44Å; K145-N242 PolarHBondContact NZ-O 3.49Å
146K98.4Very high98.5Very high156 Ų15648.8 Ų48.868%0.67823%0.231SC*.  trans61.134.1-179.4-50.8-54.9-173.6-176.60114.2A141 D143 V144A141-K146 PolarHBondContact O-N 3.02Å; D143-K146 WeakPolarHBondContact O-CE 3.43Å; D143-K146 PolarHBondContact O-NZ 3.4Å; V144-K146 PolarHBondContact O-N 3.3Å
147V98.6Very high98.5Very high9 Ų948.9 Ų48.96%0.05523%0.232CC..PPolyproline II helixtrans-60.7137.7167.9177.40000109.1A141 Y142 K145 Q151 A152 H208A141-V147 HydrophobicContact CB-CB 4.26Å; A141-V147 HydrophobicContact CB-CG2 3.94Å; A141-V147 WeakPolarHBondContact O-CB 3.44Å; A141-V147 PolarHBondContact O-N 2.86Å; Y142-V147 HydrophobicContact CD1-CB 4.32Å; Y142-V147 WeakPolarHBondContact CD1-O 3.5Å; Y142-V147 HydrophobicContact CE1-CG1 4.34Å; K145-V147 VanDerWaalsContact C-N 3.32Å; K145-V147 HydrophobicContact CB-CG2 4.35Å; K145-V147 HydrophobicContact CD-CG2 4.1Å; K145-V147 HydrophobicContact CG-CG2 4.1Å; K145-V147 PolarHBondContact O-N 3.42Å; V147-Q151 HydrophobicContact CG1-CB 4.22Å; V147-A152 HydrophobicContact CG1-CB 4.3Å; V147-H208 HydrophobicContact CG1-CB 3.67Å
148P98.5Very high98.5Very high54 Ų5450.1 Ų50.135%0.35124%0.242SC..PPolyproline II helixtrans-56.5146.7176-2635000112.4Y142 N150 Q151 H208Y142-P148 VanDerWaalsContact CE1-O 3.3Å; Y142-P148 WeakPolarHBondContact CE1-O 3.25Å; P148-N150 PolarHBondContact O-N 2.87Å; P148-Q151 HydrophobicContact CB-CB 4.39Å; P148-Q151 HydrophobicContact CB-CG 4.14Å; P148-Q151 WeakPolarHBondContact O-CB 3.46Å; P148-Q151 PolarHBondContact O-N 3.17Å; P148-H208 VanDerWaalsContact CD-CE1 3.43Å; P148-H208 WeakPolarHBondContact CD-CE1 3.44Å
149K97.9Very high98.5Very high171 Ų17149.1 Ų49.174%0.74325%0.245SC*.THydrogen-bonded Turntrans-50.4133.8-177.8-177.7178178.9-178.90111.4Q151K149-Q151 PolarHBondContact O-N 2.86Å
150N97.8Very high98.5Very high127 Ų12745.3 Ų45.368%0.67923%0.231SC*.THydrogen-bonded Turntrans63.413.3178.9-58.4-21.8000115.3Y142 P148Y142-N150 VanDerWaalsContact OH-CA 3.25Å; Y142-N150 WeakPolarHBondContact OH-CA 3.26Å; Y142-N150 PolarHBondContact OH-N 3.44Å; P148-N150 PolarHBondContact O-N 2.87Å
151Q98.5Very high98.4Very high98 Ų9847.4 Ų47.446%0.45824%0.24SC..  trans-107.52.1178.6-57.8-168.330.200114.1V147 P148 K149 I153 H208V147-Q151 HydrophobicContact CG1-CB 4.22Å; P148-Q151 HydrophobicContact CB-CB 4.39Å; P148-Q151 HydrophobicContact CB-CG 4.14Å; P148-Q151 WeakPolarHBondContact O-CB 3.46Å; P148-Q151 PolarHBondContact O-N 3.17Å; K149-Q151 PolarHBondContact O-N 2.86Å; Q151-I153 PolarHBondContact O-N 3.39Å; Q151-H208 WeakPolarHBondContact O-CB 3.3Å; Q151-H208 PolarHBondContact OE1-CD2 2.82Å; Q151-H208 PolarHBondContact OE1-NE2 2.62Å
152A98.7Very high98.4Very high1 Ų148 Ų481%0.00824%0.243CC..  trans-66.5124.3-179.500000112R138 A141 Y142 V147 H208 A210R138-A152 HydrophobicContact CB-CB 4.39Å; R138-A152 HydrophobicContact CG-CB 4.03Å; A141-A152 HydrophobicContact CB-CB 4.01Å; Y142-A152 HydrophobicContact CD1-CB 4.36Å; Y142-A152 HydrophobicContact CE1-CB 3.54Å; Y142-A152 HydrophobicContact CE2-CB 4.27Å; Y142-A152 VanDerWaalsContact CZ-CB 3.47Å; Y142-A152 WeakPolarHBondContact OH-CB 3.43Å; Y142-A152 PolarHBondContact OH-N 2.99Å; V147-A152 HydrophobicContact CG1-CB 4.3Å; A152-H208 WeakPolarHBondContact CA-O 3.19Å; A152-A210 HydrophobicContact CB-CB 4.16Å
153I98.9Very high98.3Very high33 Ų3346 Ų4617%0.16924%0.239CC..EExtended strand (participates in β ladder)trans-98.4131.3180-59.9166.4000109.8Q151 I155 G187 K189 H208 V209 A210Q151-I153 PolarHBondContact O-N 3.39Å; I153-I155 HydrophobicContact CG2-CG1 4.37Å; I153-G187 CarbonylContact C-O 3.51Å; I153-G187 VanDerWaalsContact CA-O 3.23Å; I153-G187 WeakPolarHBondContact CA-O 3.18Å; I153-K189 HydrophobicContact CG2-CB 3.8Å; I153-H208 HydrophobicContact CD1-CB 4.46Å; I153-H208 PolarHBondContact N-O 3.2Å; I153-V209 HydrophobicContact CB-CG2 4.3Å; I153-V209 HydrophobicContact CG2-CG2 4.42Å; I153-A210 WeakPolarHBondContact O-CB 3.44Å; I153-A210 PolarHBondContact O-N 3.45Å
154V98.9Very high98.2Very high0 Ų051 Ų510%025%0.254CS..EExtended strand (participates in β ladder)trans-111.3124.8166.5-1770000108.3V134 R138 F156 G187 F188 K189 A210 A211 M213V134-V154 HydrophobicContact CG1-CG2 4.35Å; R138-V154 HydrophobicContact CG-CG2 4.22Å; V154-F156 HydrophobicContact CB-CE2 3.86Å; V154-F156 HydrophobicContact CB-CZ 4.28Å; V154-F156 HydrophobicContact CG1-CD2 4.28Å; V154-F156 HydrophobicContact CG1-CE1 4.37Å; V154-F156 HydrophobicContact CG1-CE2 3.56Å; V154-F156 HydrophobicContact CG1-CZ 3.63Å; V154-G187 PolarHBondContact N-O 2.93Å; V154-F188 HydrophobicContact CB-CD1 4.16Å; V154-F188 HydrophobicContact CB-CE1 4.22Å; V154-F188 WeakPolarHBondContact O-CA 3.48Å; V154-K189 PolarHBondContact O-N 3.36Å; V154-A210 HydrophobicContact CG2-CB 4.5Å; V154-A211 WeakPolarHBondContact CA-O 3.42Å; V154-A211 HydrophobicContact CG1-CB 4.32Å; V154-M213 HydrophobicContact CG1-CB 4.44Å
155I98.9Very high98.2Very high0 Ų048.8 Ų48.80%024%0.243CC..EExtended strand (participates in β ladder)trans-88.7137.4178.9-59.3169.8000108.7I153 K189 I191 L199 A202 V203 V209 A211 F212 M213I153-I155 HydrophobicContact CG2-CG1 4.37Å; I155-K189 CarbonylContact C-O 3.47Å; I155-K189 VanDerWaalsContact CA-O 3.27Å; I155-K189 WeakPolarHBondContact CA-O 3.44Å; I155-K189 HydrophobicContact CG1-CB 4.37Å; I155-I191 HydrophobicContact CG2-CD1 3.81Å; I155-I191 HydrophobicContact CG2-CG1 3.81Å; I155-I191 HydrophobicContact CG2-CG2 4.04Å; I155-L199 HydrophobicContact CD1-CD1 4.45Å; I155-L199 HydrophobicContact CG2-CD1 4.43Å; I155-A202 HydrophobicContact CD1-CB 3.72Å; I155-V203 HydrophobicContact CD1-CG2 3.77Å; I155-V209 HydrophobicContact CD1-CG1 3.55Å; I155-V209 HydrophobicContact CD1-CG2 4.17Å; I155-V209 HydrophobicContact CG1-CG1 3.97Å; I155-A211 PolarHBondContact N-O 3.46Å; I155-F212 HydrophobicContact CB-CB 4.45Å; I155-F212 HydrophobicContact CB-CD2 3.91Å; I155-F212 HydrophobicContact CG2-CD2 3.67Å; I155-F212 HydrophobicContact CG2-CE2 4.11Å; I155-F212 WeakPolarHBondContact O-CA 3.33Å; I155-F212 WeakPolarHBondContact O-CD2 3.44Å; I155-M213 PolarHBondContact O-N 3.08Å
156F98.9Very high98.2Very high1 Ų152.3 Ų52.30%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-126.8154.9172.6-61.8-93.2000109.9V134 V154 W162 F188 K189 V190 I191 M213V134-F156 HydrophobicContact CG2-CZ 4.02Å; V154-F156 HydrophobicContact CB-CE2 3.86Å; V154-F156 HydrophobicContact CB-CZ 4.28Å; V154-F156 HydrophobicContact CG1-CD2 4.28Å; V154-F156 HydrophobicContact CG1-CE1 4.37Å; V154-F156 HydrophobicContact CG1-CE2 3.56Å; V154-F156 HydrophobicContact CG1-CZ 3.63Å; F156-W162 AromaticContact CD1-NE1 3.82Å; F156-W162 AromaticContact CE1-CE2 3.69Å; F156-W162 AromaticContact CE1-CZ2 3.82Å; F156-W162 HydrophobicContact CE1-CZ2 3.82Å; F156-W162 AromaticContact CE1-NE1 3.53Å; F156-W162 AromaticContact CZ-CZ2 3.81Å; F156-W162 HydrophobicContact CZ-CZ2 3.81Å; F156-F188 HydrophobicContact CD2-CB 4.32Å; F156-F188 HydrophobicContact CD2-CD2 4.42Å; F156-F188 HydrophobicContact CD2-CG 4.24Å; F156-F188 HydrophobicContact CE2-CB 4.13Å; F156-F188 AromaticContact CE2-CD1 3.64Å; F156-F188 HydrophobicContact CE2-CD1 3.64Å; F156-F188 AromaticContact CE2-CD2 3.72Å; F156-F188 HydrophobicContact CE2-CD2 3.72Å; F156-F188 AromaticContact CE2-CE1 3.87Å; F156-F188 HydrophobicContact CE2-CE1 3.87Å; F156-F188 AromaticContact CE2-CE2 3.93Å; F156-F188 HydrophobicContact CE2-CE2 3.93Å; F156-F188 AromaticContact CE2-CG 3.58Å; F156-F188 HydrophobicContact CE2-CG 3.58Å; F156-F188 HydrophobicContact CE2-CZ 4.01Å; F156-F188 HydrophobicContact CZ-CD1 4.38Å; F156-F188 HydrophobicContact CZ-CD2 4.29Å; F156-F188 HydrophobicContact CZ-CE1 4.16Å; F156-F188 HydrophobicContact CZ-CE2 4.05Å; F156-F188 HydrophobicContact CZ-CG 4.46Å; F156-F188 AromaticContact CZ-CZ 3.99Å; F156-F188 HydrophobicContact CZ-CZ 3.99Å; F156-K189 PolarHBondContact N-O 3.17Å; F156-V190 WeakPolarHBondContact O-CA 3.06Å; F156-I191 PolarHBondContact O-N 3.23Å; F156-M213 HydrophobicContact CD1-CB 4.08Å; F156-M213 HydrophobicContact CD1-CG 4.5Å; F156-M213 HydrophobicContact CE1-CB 3.89Å; F156-M213 HydrophobicContact CE1-CG 4.2Å; F156-M213 HydrophobicContact CE1-SD 3.75Å
157A98.7Very high98.2Very high1 Ų145 Ų451%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-87.2141.1172.900000111.7G159 N160 I191 Y193 F212 V214A157-G159 PolarHBondContact O-N 2.61Å; A157-N160 WeakPolarHBondContact O-CB 3.48Å; A157-N160 PolarHBondContact O-N 3.29Å; A157-N160 VanDerWaalsContact O-N 3.08Å; A157-N160 PolarHBondContact O-ND2 2.96Å; A157-I191 CarbonylContact C-O 3.54Å; A157-I191 WeakPolarHBondContact CA-O 3.22Å; A157-Y193 HydrophobicContact CB-CD2 3.63Å; A157-Y193 HydrophobicContact CB-CG 4.24Å; A157-F212 HydrophobicContact CB-CE2 4.46Å; A157-V214 HydrophobicContact CB-CG2 4.21Å
158A98.5Very high98.1Very high27 Ų2744.7 Ų44.722%0.22323%0.23CC..THydrogen-bonded Turntrans-58.5137174.400000110.4T173 V190 I191 Q218A158-T173 HydrophobicContact CB-CG2 3.89Å; A158-V190 HydrophobicContact CB-CG1 3.96Å; A158-I191 WeakPolarHBondContact CB-O 3.37Å; A158-I191 PolarHBondContact N-O 3.19Å; A158-Q218 PolarHBondContact O-NE2 2.97Å
159G97.5Very high98.1Very high20 Ų2042.5 Ų42.521%0.20622%0.215CC..THydrogen-bonded Turntrans828.9-170.900000114.9A157 T173 Q218A157-G159 PolarHBondContact O-N 2.61Å; G159-T173 PolarHBondContact N-OG1 2.84Å; G159-Q218 PolarHBondContact O-NE2 2.87Å
160N98.4Very high98.2Very high12 Ų1235.4 Ų35.46%0.06419%0.187CC..  trans-59.9147.2174.564.197.7000111.8A157 W162 S171 E215A157-N160 WeakPolarHBondContact O-CB 3.48Å; A157-N160 PolarHBondContact O-N 3.29Å; A157-N160 VanDerWaalsContact O-N 3.08Å; A157-N160 PolarHBondContact O-ND2 2.96Å; N160-W162 PolarHBondContact OD1-NE1 2.74Å; N160-S171 PolarHBondContact ND2-O 3.02Å; N160-S171 PolarHBondContact OD1-OG 3.13Å; N160-E215 WeakPolarHBondContact CA-OE2 3.12Å
161F97.9Very high98.2Very high57 Ų5729.4 Ų29.425%0.2516%0.155CC..  trans-140.3110167.3-177.9-87.2000110.3R164 E215 E220F161-R164 HydrophobicContact CE2-CG 4.35Å; F161-E215 PolarHBondContact N-OE2 2.69Å; F161-E220 HydrophobicContact CB-CB 3.75Å; F161-E220 HydrophobicContact CB-CG 4.09Å; F161-E220 HydrophobicContact CD1-CB 4.08Å; F161-E220 HydrophobicContact CD1-CG 3.44Å; F161-E220 VanDerWaalsContact CD1-CG 3.44Å; F161-E220 HydrophobicContact CD2-CB 4.42Å; F161-E220 HydrophobicContact CD2-CG 4.44Å; F161-E220 HydrophobicContact CE1-CG 3.93Å; F161-E220 HydrophobicContact CG-CB 3.83Å; F161-E220 HydrophobicContact CG-CG 3.73Å
162W97.9Very high98.2Very high12 Ų1225.7 Ų25.75%0.04514%0.14CC..SBendtrans-127.115.3175.758.8-81.2000112.6V127 C130 E131 V134 F156 N160 A167 A168 S171 F188 M213 D248V127-W162 WeakPolarHBondContact CA-O 3.33Å; V127-W162 WeakPolarHBondContact CB-O 3.45Å; V127-W162 HydrophobicContact CG2-CE3 4.36Å; V127-W162 WeakPolarHBondContact CG2-O 3.48Å; C130-W162 HydrophobicContact CB-CB 4.13Å; C130-W162 HydrophobicContact CB-CD2 4.05Å; C130-W162 HydrophobicContact CB-CE3 3.28Å; C130-W162 HydrophobicContact CB-CG 4.46Å; C130-W162 HydrophobicContact CB-CZ3 3.9Å; E131-W162 HydrophobicContact CG-CZ3 3.95Å; V134-W162 HydrophobicContact CG2-CH2 4.2Å; F156-W162 AromaticContact CD1-NE1 3.82Å; F156-W162 AromaticContact CE1-CE2 3.69Å; F156-W162 AromaticContact CE1-CZ2 3.82Å; F156-W162 HydrophobicContact CE1-CZ2 3.82Å; F156-W162 AromaticContact CE1-NE1 3.53Å; F156-W162 AromaticContact CZ-CZ2 3.81Å; F156-W162 HydrophobicContact CZ-CZ2 3.81Å; N160-W162 PolarHBondContact OD1-NE1 2.74Å; W162-A167 HydrophobicContact CH2-CB 3.84Å; W162-A168 HydrophobicContact CD2-CB 3.72Å; W162-A168 VanDerWaalsContact CE2-CA 3.42Å; W162-A168 HydrophobicContact CE3-CB 3.76Å; W162-A168 HydrophobicContact CG-CB 4.33Å; W162-A168 HydrophobicContact CH2-CB 4.21Å; W162-A168 HydrophobicContact CZ2-CB 4.12Å; W162-A168 HydrophobicContact CZ3-CB 4.02Å; W162-S171 PolarHBondContact NE1-OG 2.93Å; W162-F188 HydrophobicContact CH2-CE2 4.39Å; W162-F188 HydrophobicContact CH2-CZ 4.44Å; W162-F188 AromaticContact CZ2-CE2 3.94Å; W162-F188 HydrophobicContact CZ2-CE2 3.94Å; W162-F188 HydrophobicContact CZ2-CZ 4.29Å; W162-M213 HydrophobicContact CB-CE 3.83Å; W162-M213 HydrophobicContact CD2-CE 4.34Å; W162-M213 HydrophobicContact CG-CE 4.05Å; W162-D248 WeakPolarHBondContact CB-OD2 3.42Å
163G97Very high98.1Very high14 Ų1428.9 Ų28.914%0.14416%0.16CC..  trans138.8-166.2176.700000113.8
164R96.5Very high97.9Very high155 Ų15529.1 Ų29.159%0.58516%0.161SC*.SBendtrans-130.519.3-179.6-61.5-175.8178.8-77.8-4.2112.8F161 S177F161-R164 HydrophobicContact CE2-CG 4.35Å; R164-S177 PolarHBondContact NH1-OG 2.7Å
165S97.6Very high97.6Very high33 Ų3332.7 Ų32.723%0.23119%0.185CC..SBendtrans-67.5163.6168.666.60000110.2V127 E131 A167 A168 V169V127-S165 WeakPolarHBondContact CG2-OG 3.13Å; E131-S165 WeakPolarHBondContact OE1-CB 3.14Å; E131-S165 PolarHBondContact OE1-OG 2.77Å; S165-A167 PolarHBondContact O-N 3.08Å; S165-A168 PolarHBondContact O-N 3.27Å; S165-A168 VanDerWaalsContact O-N 3.08Å; S165-A168 WeakPolarHBondContact OG-CB 3.14Å; S165-A168 PolarHBondContact OG-N 2.87Å; S165-A168 VanDerWaalsContact OG-N 3.1Å; S165-V169 WeakPolarHBondContact O-CG1 3.25Å; S165-V169 WeakPolarHBondContact O-CG2 3.23Å; S165-V169 PolarHBondContact O-N 3.13Å
166L97.9Very high97.3Very high117 Ų11740.7 Ų40.761%0.61322%0.222SC*.Hα-helixtrans-57-37.8176.6-72.6174.9000112.2V169 S170 F181L166-V169 WeakPolarHBondContact O-CG2 3.14Å; L166-S170 WeakPolarHBondContact O-CB 3.34Å; L166-S170 PolarHBondContact O-N 3.29Å; L166-S170 PolarHBondContact O-OG 2.91Å; L166-F181 HydrophobicContact CD2-CB 4.14Å
167A98Very high97Very high4 Ų441 Ų413%0.03322%0.224CC..Hα-helixtrans-69.5-44.3174.500000111.2E131 W162 S165 V169 S170 M185 F188E131-A167 VanDerWaalsContact OE1-CB 3.24Å; E131-A167 WeakPolarHBondContact OE1-CB 3.36Å; E131-A167 WeakPolarHBondContact OE2-CB 3.42Å; W162-A167 HydrophobicContact CH2-CB 3.84Å; S165-A167 PolarHBondContact O-N 3.08Å; A167-V169 VanDerWaalsContact C-N 3.34Å; A167-V169 PolarHBondContact O-N 2.96Å; A167-S170 VanDerWaalsContact O-CB 3.23Å; A167-S170 WeakPolarHBondContact O-CB 3.45Å; A167-S170 PolarHBondContact O-N 2.97Å; A167-M185 HydrophobicContact CB-CE 4.06Å; A167-F188 HydrophobicContact CB-CE2 4.12Å; A167-F188 HydrophobicContact CB-CZ 4.27Å; A167-F188 VanDerWaalsContact O-CE2 3.31Å; A167-F188 WeakPolarHBondContact O-CE2 3.37Å
168A98.4Very high96.8Very high2 Ų244.8 Ų44.82%0.01724%0.239CC..Hα-helixtrans-57.6-45.8178.500000113.2V127 W162 S165 S170 S171V127-A168 HydrophobicContact CG2-CB 4.23Å; W162-A168 HydrophobicContact CD2-CB 3.72Å; W162-A168 VanDerWaalsContact CE2-CA 3.42Å; W162-A168 HydrophobicContact CE3-CB 3.76Å; W162-A168 HydrophobicContact CG-CB 4.33Å; W162-A168 HydrophobicContact CH2-CB 4.21Å; W162-A168 HydrophobicContact CZ2-CB 4.12Å; W162-A168 HydrophobicContact CZ3-CB 4.02Å; S165-A168 PolarHBondContact O-N 3.27Å; S165-A168 VanDerWaalsContact O-N 3.08Å; S165-A168 WeakPolarHBondContact OG-CB 3.14Å; S165-A168 PolarHBondContact OG-N 2.87Å; S165-A168 VanDerWaalsContact OG-N 3.1Å; A168-S170 PolarHBondContact O-N 2.94Å; A168-S171 PolarHBondContact O-N 3.13Å; A168-S171 PolarHBondContact O-OG 3.11Å
169V98.2Very high96.6Very high7 Ų745.3 Ų45.34%0.04225%0.247CC..Hα-helixtrans-71.5-19.5178.4-53.50000112.4S165 L166 A167 S171 S172 S177 Y178S165-V169 WeakPolarHBondContact O-CG1 3.25Å; S165-V169 WeakPolarHBondContact O-CG2 3.23Å; S165-V169 PolarHBondContact O-N 3.13Å; L166-V169 WeakPolarHBondContact O-CG2 3.14Å; A167-V169 VanDerWaalsContact C-N 3.34Å; A167-V169 PolarHBondContact O-N 2.96Å; V169-S171 VanDerWaalsContact C-N 3.27Å; V169-S171 PolarHBondContact O-N 2.96Å; V169-S172 WeakPolarHBondContact O-CB 3.46Å; V169-S172 PolarHBondContact O-N 3.44Å; V169-S172 VanDerWaalsContact O-N 3.16Å; V169-S177 WeakPolarHBondContact CG1-O 3.21Å; V169-Y178 VanDerWaalsContact O-CB 3.26Å; V169-Y178 WeakPolarHBondContact O-CB 3.31Å
170S98.4Very high96.5Very high22 Ų2248.4 Ų48.415%0.15428%0.279CS..Hα-helixtrans-69.5-20.2176.8-62.70000114L166 A167 A168 F184 M185L166-S170 WeakPolarHBondContact O-CB 3.34Å; L166-S170 PolarHBondContact O-N 3.29Å; L166-S170 PolarHBondContact O-OG 2.91Å; A167-S170 VanDerWaalsContact O-CB 3.23Å; A167-S170 WeakPolarHBondContact O-CB 3.45Å; A167-S170 PolarHBondContact O-N 2.97Å; A168-S170 PolarHBondContact O-N 2.94Å; S170-F184 WeakPolarHBondContact OG-CA 3.41Å; S170-F184 WeakPolarHBondContact OG-CB 3.34Å; S170-M185 WeakPolarHBondContact OG-CB 3.21Å; S170-M185 PolarHBondContact OG-N 3.37Å
171S98.4Very high96.4Very high1 Ų153.5 Ų53.51%0.00730%0.301CS..THydrogen-bonded Turntrans-101.6-4.9170.764.90000113.2N160 W162 A168 V169 V190N160-S171 PolarHBondContact ND2-O 3.02Å; N160-S171 PolarHBondContact OD1-OG 3.13Å; W162-S171 PolarHBondContact NE1-OG 2.93Å; A168-S171 PolarHBondContact O-N 3.13Å; A168-S171 PolarHBondContact O-OG 3.11Å; V169-S171 VanDerWaalsContact C-N 3.27Å; V169-S171 PolarHBondContact O-N 2.96Å; S171-V190 WeakPolarHBondContact O-CG2 3.32Å
172S97.9Very high96.3Very high20 Ų2053 Ų5314%0.1431%0.312CS..  trans-71.1142.6-175.7-172.40000111.4V169 D174 Y178V169-S172 WeakPolarHBondContact O-CB 3.46Å; V169-S172 PolarHBondContact O-N 3.44Å; V169-S172 VanDerWaalsContact O-N 3.16Å; S172-D174 PolarHBondContact OG-N 3.33Å; S172-Y178 WeakPolarHBondContact O-CD1 2.96Å
173T97.1Very high96.2Very high69 Ų6958.6 Ų58.642%0.42335%0.35SS..  trans-103.68170.260.10000112.5A158 G159 P175 V190A158-T173 HydrophobicContact CB-CG2 3.89Å; G159-T173 PolarHBondContact N-OG1 2.84Å; T173-P175 WeakPolarHBondContact O-CD 3.3Å; T173-V190 HydrophobicContact CG2-CG1 3.71Å
174D94.8Very high96.2Very high37 Ų3762.2 Ų62.220%0.19836%0.362CS..  trans-96.3109.4176.6171.325000109.9S172 E176 S177 Y178 H391S172-D174 PolarHBondContact OG-N 3.33Å; D174-E176 PolarHBondContact O-N 3.2Å; D174-E176 PolarHBondContact OD1-N 2.99Å; D174-S177 WeakPolarHBondContact O-CA 3.24Å; D174-S177 WeakPolarHBondContact O-CB 2.83Å; D174-S177 PolarHBondContact O-N 3.25Å; D174-S177 PolarHBondContact OD2-OG 3.46Å; D174-Y178 WeakPolarHBondContact O-CD1 3.2Å; D174-Y178 PolarHBondContact O-N 3.42Å; D174-H391 IonicContact OD2-CE1 3.62Å
175P93.6Very high96.3Very high76 Ų7658.2 Ų58.249%0.49435%0.35SS..Hα-helixtrans-57.5-30.5-178.6-24.935.2000114.3T173 S177 Y178 G179T173-P175 WeakPolarHBondContact O-CD 3.3Å; P175-S177 PolarHBondContact O-N 3.13Å; P175-Y178 VanDerWaalsContact CA-CE1 3.44Å; P175-Y178 HydrophobicContact CB-CE1 4.26Å; P175-Y178 HydrophobicContact CG-CE1 4.22Å; P175-G179 WeakPolarHBondContact O-CA 3.44Å; P175-G179 PolarHBondContact O-N 2.94Å
176E92.2Very high96.3Very high168 Ų16861.4 Ų61.479%0.78537%0.371SS*.Hα-helixtrans-68.6-23.1176-66.5-65.113400111.9D174D174-E176 PolarHBondContact O-N 3.2Å; D174-E176 PolarHBondContact OD1-N 2.99Å
177S92.6Very high96.3Very high7 Ų757.3 Ų57.35%0.04936%0.356CS..Hα-helixtrans-88.5-36.4179.1-68.20000113.1R164 V169 D174 P175R164-S177 PolarHBondContact NH1-OG 2.7Å; V169-S177 WeakPolarHBondContact CG1-O 3.21Å; D174-S177 WeakPolarHBondContact O-CA 3.24Å; D174-S177 WeakPolarHBondContact O-CB 2.83Å; D174-S177 PolarHBondContact O-N 3.25Å; D174-S177 PolarHBondContact OD2-OG 3.46Å; P175-S177 PolarHBondContact O-N 3.13Å
178Y94.4Very high96.3Very high80 Ų8058.6 Ų58.631%0.31436%0.361SS..Hα-helixtrans-108.2-14.9-176.675.7-99.9000115.9V169 S172 D174 P175 G180 F181 F184V169-Y178 VanDerWaalsContact O-CB 3.26Å; V169-Y178 WeakPolarHBondContact O-CB 3.31Å; S172-Y178 WeakPolarHBondContact O-CD1 2.96Å; D174-Y178 WeakPolarHBondContact O-CD1 3.2Å; D174-Y178 PolarHBondContact O-N 3.42Å; P175-Y178 VanDerWaalsContact CA-CE1 3.44Å; P175-Y178 HydrophobicContact CB-CE1 4.26Å; P175-Y178 HydrophobicContact CG-CE1 4.22Å; Y178-G180 PolarHBondContact O-N 3.14Å; Y178-F181 PolarHBondContact O-N 3.35Å; Y178-F184 HydrophobicContact CD2-CE1 4.35Å; Y178-F184 HydrophobicContact CD2-CE2 4.15Å; Y178-F184 AromaticContact CD2-CZ 3.66Å; Y178-F184 HydrophobicContact CD2-CZ 3.66Å; Y178-F184 HydrophobicContact CG-CZ 4.43Å
179G94.2Very high96.3Very high38 Ų3861.9 Ų61.939%0.39238%0.375SS..THydrogen-bonded Turntrans-57.2128.3-171.100000113.6P175 F181P175-G179 WeakPolarHBondContact O-CA 3.44Å; P175-G179 PolarHBondContact O-N 2.94Å; G179-F181 VanDerWaalsContact C-N 3.33Å; G179-F181 VanDerWaalsContact O-CD2 3.32Å; G179-F181 WeakPolarHBondContact O-CD2 3.47Å; G179-F181 WeakPolarHBondContact O-CE2 3.49Å; G179-F181 PolarHBondContact O-N 3.44Å
180G95.8Very high96.4Very high86 Ų8664.4 Ų64.489%0.88739%0.391SS*.THydrogen-bonded Turntrans78.65.6175.100000116.1Y178Y178-G180 PolarHBondContact O-N 3.14Å
181F96.6Very high96.4Very high118 Ų11863.9 Ų63.952%0.51839%0.386SS..  trans-106.810.6-177.1-58.1-60.1000115.2L166 Y178 G179L166-F181 HydrophobicContact CD2-CB 4.14Å; Y178-F181 PolarHBondContact O-N 3.35Å; G179-F181 VanDerWaalsContact C-N 3.33Å; G179-F181 VanDerWaalsContact O-CD2 3.32Å; G179-F181 WeakPolarHBondContact O-CD2 3.47Å; G179-F181 WeakPolarHBondContact O-CE2 3.49Å; G179-F181 PolarHBondContact O-N 3.44Å
182G94.9Very high96.4Very high46 Ų4667.1 Ų67.147%0.47441%0.407SS..PPolyproline II helixtrans-67.4166.8-179.100000114
183P96.2Very high96.4Very high131 Ų13167 Ų6785%0.85140%0.403SS*.SBendcis-74.61542.131.3-36.3000113.8
184F97Very high96.5Very high90 Ų9066.6 Ų66.640%0.39540%0.399SS..PPolyproline II helixtrans-95158.5-174.3-58.1-58.3000113.1S170 Y178 P186S170-F184 WeakPolarHBondContact OG-CA 3.41Å; S170-F184 WeakPolarHBondContact OG-CB 3.34Å; Y178-F184 HydrophobicContact CD2-CE1 4.35Å; Y178-F184 HydrophobicContact CD2-CE2 4.15Å; Y178-F184 AromaticContact CD2-CZ 3.66Å; Y178-F184 HydrophobicContact CD2-CZ 3.66Å; Y178-F184 HydrophobicContact CG-CZ 4.43Å; F184-P186 WeakPolarHBondContact O-CD 3.4Å
185M97.7Very high96.7Very high70 Ų7067.9 Ų67.935%0.34541%0.406SS..PPolyproline II helixtrans-57.1116.1-178.4-176.360.265.400111.1R138 A167 S170 F188R138-M185 PolarHBondContact NH1-SD 3.18Å; A167-M185 HydrophobicContact CB-CE 4.06Å; S170-M185 WeakPolarHBondContact OG-CB 3.21Å; S170-M185 PolarHBondContact OG-N 3.37Å; M185-F188 HydrophobicContact CB-CD2 3.96Å; M185-F188 HydrophobicContact CB-CE2 3.88Å; M185-F188 HydrophobicContact CB-CG 4.43Å; M185-F188 HydrophobicContact CB-CZ 4.28Å; M185-F188 HydrophobicContact CG-CD1 4.15Å; M185-F188 HydrophobicContact CG-CD2 4.08Å; M185-F188 HydrophobicContact CG-CE1 3.84Å; M185-F188 HydrophobicContact CG-CE2 3.76Å; M185-F188 HydrophobicContact CG-CG 4.26Å; M185-F188 HydrophobicContact CG-CZ 3.64Å
186P97.7Very high96.9Very high101 Ų10166.3 Ų66.366%0.65639%0.393SS*.THydrogen-bonded Turntrans-67.2156.2176.528.9-35.7000110.8R138 F184 F188R138-P186 PolarHBondContact NH2-O 2.9Å; F184-P186 WeakPolarHBondContact O-CD 3.4Å; P186-F188 VanDerWaalsContact C-N 3.32Å
187G98.2Very high97.2Very high30 Ų3060.4 Ų60.431%0.30938%0.377SS..THydrogen-bonded Turntrans74.619178.800000114R138 I153 V154R138-G187 PolarHBondContact NH2-O 3.45Å; I153-G187 CarbonylContact C-O 3.51Å; I153-G187 VanDerWaalsContact CA-O 3.23Å; I153-G187 WeakPolarHBondContact CA-O 3.18Å; V154-G187 PolarHBondContact N-O 2.93Å
188F98.5Very high97.5Very high32 Ų3260.8 Ų60.814%0.1438%0.38CS..EExtended strand (participates in β ladder)trans-100.5133.4164.9-72.5-0.9000109.3V134 R138 V154 F156 W162 A167 M185 P186V134-F188 HydrophobicContact CG1-CE1 3.82Å; V134-F188 HydrophobicContact CG1-CZ 3.88Å; R138-F188 VanDerWaalsContact NH2-CD1 3.3Å; R138-F188 VanDerWaalsContact NH2-CE1 3.27Å; V154-F188 HydrophobicContact CB-CD1 4.16Å; V154-F188 HydrophobicContact CB-CE1 4.22Å; V154-F188 WeakPolarHBondContact O-CA 3.48Å; F156-F188 HydrophobicContact CD2-CB 4.32Å; F156-F188 HydrophobicContact CD2-CD2 4.42Å; F156-F188 HydrophobicContact CD2-CG 4.24Å; F156-F188 HydrophobicContact CE2-CB 4.13Å; F156-F188 AromaticContact CE2-CD1 3.64Å; F156-F188 HydrophobicContact CE2-CD1 3.64Å; F156-F188 AromaticContact CE2-CD2 3.72Å; F156-F188 HydrophobicContact CE2-CD2 3.72Å; F156-F188 AromaticContact CE2-CE1 3.87Å; F156-F188 HydrophobicContact CE2-CE1 3.87Å; F156-F188 AromaticContact CE2-CE2 3.93Å; F156-F188 HydrophobicContact CE2-CE2 3.93Å; F156-F188 AromaticContact CE2-CG 3.58Å; F156-F188 HydrophobicContact CE2-CG 3.58Å; F156-F188 HydrophobicContact CE2-CZ 4.01Å; F156-F188 HydrophobicContact CZ-CD1 4.38Å; F156-F188 HydrophobicContact CZ-CD2 4.29Å; F156-F188 HydrophobicContact CZ-CE1 4.16Å; F156-F188 HydrophobicContact CZ-CE2 4.05Å; F156-F188 HydrophobicContact CZ-CG 4.46Å; F156-F188 AromaticContact CZ-CZ 3.99Å; F156-F188 HydrophobicContact CZ-CZ 3.99Å; W162-F188 HydrophobicContact CH2-CE2 4.39Å; W162-F188 HydrophobicContact CH2-CZ 4.44Å; W162-F188 AromaticContact CZ2-CE2 3.94Å; W162-F188 HydrophobicContact CZ2-CE2 3.94Å; W162-F188 HydrophobicContact CZ2-CZ 4.29Å; A167-F188 HydrophobicContact CB-CE2 4.12Å; A167-F188 HydrophobicContact CB-CZ 4.27Å; A167-F188 VanDerWaalsContact O-CE2 3.31Å; A167-F188 WeakPolarHBondContact O-CE2 3.37Å; M185-F188 HydrophobicContact CB-CD2 3.96Å; M185-F188 HydrophobicContact CB-CE2 3.88Å; M185-F188 HydrophobicContact CB-CG 4.43Å; M185-F188 HydrophobicContact CB-CZ 4.28Å; M185-F188 HydrophobicContact CG-CD1 4.15Å; M185-F188 HydrophobicContact CG-CD2 4.08Å; M185-F188 HydrophobicContact CG-CE1 3.84Å; M185-F188 HydrophobicContact CG-CE2 3.76Å; M185-F188 HydrophobicContact CG-CG 4.26Å; M185-F188 HydrophobicContact CG-CZ 3.64Å; P186-F188 VanDerWaalsContact C-N 3.32Å
189K98.5Very high97.7Very high71 Ų7157 Ų5731%0.30937%0.365SS..EExtended strand (participates in β ladder)trans-122131.2176.8-179.2170.3179.3173.90108.7I153 V154 I155 F156 A202 S205I153-K189 HydrophobicContact CG2-CB 3.8Å; V154-K189 PolarHBondContact O-N 3.36Å; I155-K189 CarbonylContact C-O 3.47Å; I155-K189 VanDerWaalsContact CA-O 3.27Å; I155-K189 WeakPolarHBondContact CA-O 3.44Å; I155-K189 HydrophobicContact CG1-CB 4.37Å; F156-K189 PolarHBondContact N-O 3.17Å; K189-A202 HydrophobicContact CD-CB 4.13Å; K189-S205 PolarHBondContact NZ-OG 3.16Å
190V98.7Very high97.9Very high60 Ų6059.3 Ų59.336%0.36437%0.366SS..EExtended strand (participates in β ladder)trans-109.1130.8179.3-176.20000109.5F156 A158 S171 T173F156-V190 WeakPolarHBondContact O-CA 3.06Å; A158-V190 HydrophobicContact CB-CG1 3.96Å; S171-V190 WeakPolarHBondContact O-CG2 3.32Å; T173-V190 HydrophobicContact CG2-CG1 3.71Å
191I98.8Very high98.1Very high10 Ų1061.5 Ų61.55%0.05135%0.353CS..EExtended strand (participates in β ladder)trans-120.8160.3176.462.6168.4000110.5I155 F156 A157 A158 Y193 A198 L199 A202 F212I155-I191 HydrophobicContact CG2-CD1 3.81Å; I155-I191 HydrophobicContact CG2-CG1 3.81Å; I155-I191 HydrophobicContact CG2-CG2 4.04Å; F156-I191 PolarHBondContact O-N 3.23Å; A157-I191 CarbonylContact C-O 3.54Å; A157-I191 WeakPolarHBondContact CA-O 3.22Å; A158-I191 WeakPolarHBondContact CB-O 3.37Å; A158-I191 PolarHBondContact N-O 3.19Å; I191-Y193 PolarHBondContact O-N 3.44Å; I191-A198 HydrophobicContact CB-CB 4.28Å; I191-L199 HydrophobicContact CD1-CB 3.67Å; I191-L199 HydrophobicContact CD1-CD1 3.83Å; I191-L199 HydrophobicContact CD1-CG 4.34Å; I191-A202 HydrophobicContact CG2-CB 3.67Å; I191-F212 HydrophobicContact CD1-CE2 4.23Å
192P98.6Very high98.2Very high70 Ų7056 Ų5646%0.45533%0.329SS..  trans-54.9138.3170.3-24.534.8000112.6D195 A198P192-D195 HydrophobicContact CB-CB 3.9Å; P192-A198 HydrophobicContact CG-CB 4.4Å
193Y98.6Very high98.3Very high16 Ų1654 Ų546%0.06331%0.308CS..THydrogen-bonded Turntrans-71.7146.5172.9-178.8-120.2000111.1A157 I191 D195 V214 E215 P216 Q218 R224 P226 Y230A157-Y193 HydrophobicContact CB-CD2 3.63Å; A157-Y193 HydrophobicContact CB-CG 4.24Å; I191-Y193 PolarHBondContact O-N 3.44Å; Y193-D195 PolarHBondContact O-N 3.32Å; Y193-V214 HydrophobicContact CD2-CG2 4.19Å; Y193-V214 HydrophobicContact CE2-CG2 3.84Å; Y193-E215 PolarHBondContact OH-O 2.91Å; Y193-P216 PolarHBondContact OH-O 3Å; Y193-P216 VanDerWaalsContact OH-O 3.11Å; Y193-Q218 HydrophobicContact CD1-CG 4.25Å; Y193-Q218 HydrophobicContact CD2-CG 4.31Å; Y193-Q218 HydrophobicContact CE1-CG 4.08Å; Y193-Q218 HydrophobicContact CE2-CG 4.13Å; Y193-Q218 HydrophobicContact CG-CG 4.35Å; Y193-R224 HydrophobicContact CD1-CB 4.49Å; Y193-R224 HydrophobicContact CE1-CB 4.16Å; Y193-P226 HydrophobicContact CE1-CB 4.2Å; Y193-P226 VanDerWaalsContact OH-CD 3.28Å; Y193-P226 WeakPolarHBondContact OH-CD 3.29Å; Y193-P226 WeakPolarHBondContact OH-CG 3.38Å; Y193-Y230 HydrophobicContact CD2-CE1 4.29Å; Y193-Y230 AromaticContact CE2-CE1 3.81Å; Y193-Y230 HydrophobicContact CE2-CE1 3.81Å
194N98.5Very high98.4Very high62 Ų6251.7 Ų51.733%0.33229%0.292SS..THydrogen-bonded Turntrans6129.7-179.4-167.143000113.5P226 A227N194-P226 HydrophobicContact CB-CB 4.11Å; N194-P226 WeakPolarHBondContact OD1-CB 3.35Å; N194-A227 VanDerWaalsContact CG-N 3.29Å; N194-A227 PolarHBondContact ND2-N 2.82Å; N194-A227 VanDerWaalsContact ND2-N 3.18Å; N194-A227 PolarHBondContact OD1-N 3.19Å
195D98.6Very high98.4Very high64 Ų6450.9 Ų50.934%0.34230%0.297SS..  trans-122.1100.6178.6-169.9-26.2000110.3P192 Y193 G197 A198 L199P192-D195 HydrophobicContact CB-CB 3.9Å; Y193-D195 PolarHBondContact O-N 3.32Å; D195-G197 PolarHBondContact OD1-N 2.88Å; D195-A198 HydrophobicContact CB-CB 3.96Å; D195-A198 PolarHBondContact OD1-N 3.45Å; D195-L199 PolarHBondContact O-N 3.01Å
196I98.5Very high98.4Very high42 Ų4248.7 Ų48.722%0.21529%0.289CS..Hα-helixtrans-69.8-33.5-179.3-67.7-59.7000111.9L199 E200 Y230 K233 A234 I237I196-L199 PolarHBondContact O-N 3.38Å; I196-E200 WeakPolarHBondContact O-CB 3.49Å; I196-E200 PolarHBondContact O-N 3.04Å; I196-Y230 HydrophobicContact CD1-CD2 3.47Å; I196-Y230 VanDerWaalsContact CD1-CD2 3.47Å; I196-Y230 HydrophobicContact CD1-CE2 3.81Å; I196-Y230 HydrophobicContact CD1-CG 4.44Å; I196-Y230 HydrophobicContact CG1-CD2 3.97Å; I196-Y230 HydrophobicContact CG1-CE2 4.48Å; I196-K233 HydrophobicContact CD1-CB 3.64Å; I196-K233 HydrophobicContact CG1-CB 4.1Å; I196-K233 HydrophobicContact CG1-CD 4.25Å; I196-K233 HydrophobicContact CG2-CB 4.44Å; I196-A234 HydrophobicContact CD1-CB 4.26Å; I196-I237 HydrophobicContact CG2-CD1 3.52Å
197G98.6Very high98.4Very high44 Ų4448.4 Ų48.445%0.45429%0.287SS..Hα-helixtrans-67.1-44.8178.700000111.1D195 L199 E200 E201D195-G197 PolarHBondContact OD1-N 2.88Å; G197-L199 VanDerWaalsContact C-N 3.32Å; G197-L199 PolarHBondContact O-N 3.29Å; G197-E200 PolarHBondContact O-N 3.09Å; G197-E201 WeakPolarHBondContact O-CB 3.31Å; G197-E201 PolarHBondContact O-N 3.15Å
198A98.8Very high98.4Very high15 Ų1549.2 Ų49.212%0.12428%0.282CS..Hα-helixtrans-63.9-36.3175.600000112.6I191 P192 D195 A202I191-A198 HydrophobicContact CB-CB 4.28Å; P192-A198 HydrophobicContact CG-CB 4.4Å; D195-A198 HydrophobicContact CB-CB 3.96Å; D195-A198 PolarHBondContact OD1-N 3.45Å; A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 3.4Å
199L98.8Very high98.4Very high0 Ų047.7 Ų47.70%028%0.276CS..Hα-helixtrans-66.5-47.3173.8178.762000111.7I155 I191 D195 I196 G197 A202 V203 F212 A234 I237I155-L199 HydrophobicContact CD1-CD1 4.45Å; I155-L199 HydrophobicContact CG2-CD1 4.43Å; I191-L199 HydrophobicContact CD1-CB 3.67Å; I191-L199 HydrophobicContact CD1-CD1 3.83Å; I191-L199 HydrophobicContact CD1-CG 4.34Å; D195-L199 PolarHBondContact O-N 3.01Å; I196-L199 PolarHBondContact O-N 3.38Å; G197-L199 VanDerWaalsContact C-N 3.32Å; G197-L199 PolarHBondContact O-N 3.29Å; L199-A202 PolarHBondContact O-N 3.38Å; L199-V203 HydrophobicContact CD1-CG2 3.84Å; L199-V203 HydrophobicContact CG-CG2 4.35Å; L199-V203 WeakPolarHBondContact O-CB 3.43Å; L199-V203 WeakPolarHBondContact O-CG2 3.26Å; L199-V203 PolarHBondContact O-N 2.63Å; L199-F212 HydrophobicContact CD1-CB 4.16Å; L199-F212 HydrophobicContact CD1-CD1 3.87Å; L199-F212 HydrophobicContact CD1-CD2 3.97Å; L199-F212 HydrophobicContact CD1-CE1 4.21Å; L199-F212 HydrophobicContact CD1-CE2 4.31Å; L199-F212 HydrophobicContact CD1-CG 3.74Å; L199-F212 HydrophobicContact CD1-CZ 4.4Å; L199-F212 HydrophobicContact CD2-CD1 3.87Å; L199-F212 HydrophobicContact CD2-CE1 3.83Å; L199-F212 HydrophobicContact CD2-CZ 4.49Å; L199-A234 HydrophobicContact CD2-CB 3.41Å; L199-A234 VanDerWaalsContact CD2-CB 3.41Å; L199-I237 HydrophobicContact CG-CG2 4.35Å
200E98.7Very high98.4Very high87 Ų8744.3 Ų44.341%0.40726%0.261SS..Hα-helixtrans-60-46.9178.3-174164.7-149.600111.2I196 G197 A202 V203 T204 I237I196-E200 WeakPolarHBondContact O-CB 3.49Å; I196-E200 PolarHBondContact O-N 3.04Å; G197-E200 PolarHBondContact O-N 3.09Å; E200-A202 PolarHBondContact O-N 2.97Å; E200-V203 PolarHBondContact O-N 2.81Å; E200-T204 HydrophobicContact CG-CG2 4.3Å; E200-T204 WeakPolarHBondContact O-CB 3.36Å; E200-T204 VanDerWaalsContact O-CG2 3.25Å; E200-T204 WeakPolarHBondContact O-CG2 3.33Å; E200-T204 PolarHBondContact O-N 3.23Å; E200-T204 PolarHBondContact O-OG1 3.4Å; E200-I237 HydrophobicContact CB-CD1 4.1Å; E200-I237 HydrophobicContact CB-CG2 4.5Å
201E98.7Very high98.4Very high133 Ų13341.5 Ų41.562%0.62124%0.244SC*.Hα-helixtrans-59.2-46.6174.2-174.6-170.7167.400111.2G197 V203 T204 S205G197-E201 WeakPolarHBondContact O-CB 3.31Å; G197-E201 PolarHBondContact O-N 3.15Å; E201-V203 VanDerWaalsContact C-N 3.34Å; E201-V203 PolarHBondContact O-N 2.58Å; E201-T204 PolarHBondContact O-N 3.38Å; E201-T204 PolarHBondContact O-OG1 2.91Å; E201-S205 WeakPolarHBondContact O-CB 3.44Å; E201-S205 PolarHBondContact O-N 3.48Å; E201-S205 PolarHBondContact O-OG 3.02Å
202A98.6Very high98.4Very high1 Ų141 Ų411%0.00824%0.242CC..Hα-helixtrans-65.7-36.8-177.700000113.3I155 K189 I191 A198 L199 E200 S205I155-A202 HydrophobicContact CD1-CB 3.72Å; K189-A202 HydrophobicContact CD-CB 4.13Å; I191-A202 HydrophobicContact CG2-CB 3.67Å; A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 3.4Å; L199-A202 PolarHBondContact O-N 3.38Å; E200-A202 PolarHBondContact O-N 2.97Å; A202-S205 PolarHBondContact O-OG 3.05Å
203V98.5Very high98.4Very high5 Ų537.9 Ų37.93%0.0322%0.221CC..Hα-helixtrans-73.4-40.3177.3165.80000111.7I155 L199 E200 E201 I237 N241 V243I155-V203 HydrophobicContact CD1-CG2 3.77Å; L199-V203 HydrophobicContact CD1-CG2 3.84Å; L199-V203 HydrophobicContact CG-CG2 4.35Å; L199-V203 WeakPolarHBondContact O-CB 3.43Å; L199-V203 WeakPolarHBondContact O-CG2 3.26Å; L199-V203 PolarHBondContact O-N 2.63Å; E200-V203 PolarHBondContact O-N 2.81Å; E201-V203 VanDerWaalsContact C-N 3.34Å; E201-V203 PolarHBondContact O-N 2.58Å; V203-I237 HydrophobicContact CB-CG2 4.21Å; V203-I237 HydrophobicContact CG1-CG2 4.21Å; V203-I237 HydrophobicContact CG2-CG2 4.27Å; V203-N241 HydrophobicContact CG1-CB 3.28Å; V203-V243 HydrophobicContact CG1-CG2 3.91Å
204T97.7Very high98.5Very high82 Ų8237.3 Ų37.350%0.50322%0.219SC..Hα-helixtrans-84-26.4-175.856.20000113.6E200 E201 S206E200-T204 HydrophobicContact CG-CG2 4.3Å; E200-T204 WeakPolarHBondContact O-CB 3.36Å; E200-T204 VanDerWaalsContact O-CG2 3.25Å; E200-T204 WeakPolarHBondContact O-CG2 3.33Å; E200-T204 PolarHBondContact O-N 3.23Å; E200-T204 PolarHBondContact O-OG1 3.4Å; E201-T204 PolarHBondContact O-N 3.38Å; E201-T204 PolarHBondContact O-OG1 2.91Å; T204-S206 PolarHBondContact O-N 3.37Å
205S97.4Very high98.5Very high73 Ų7335 Ų3551%0.5121%0.207SC..THydrogen-bonded Turntrans-67-13.2178.953.10000114.5K189 E201 A202K189-S205 PolarHBondContact NZ-OG 3.16Å; E201-S205 WeakPolarHBondContact O-CB 3.44Å; E201-S205 PolarHBondContact O-N 3.48Å; E201-S205 PolarHBondContact O-OG 3.02Å; A202-S205 PolarHBondContact O-OG 3.05Å
206S97.5Very high98.5Very high24 Ų2432 Ų3217%0.16819%0.191CC..  trans-149.3130.2177.7-177.90000112.6T204 H208T204-S206 PolarHBondContact O-N 3.37Å; S206-H208 PolarHBondContact O-N 2.94Å; S206-H208 VanDerWaalsContact O-N 3.12Å; S206-H208 WeakPolarHBondContact OG-CB 3.42Å; S206-H208 PolarHBondContact OG-N 3.45Å; S206-H208 VanDerWaalsContact OG-N 3.15Å
207P97Very high98.5Very high96 Ų9630.1 Ų30.162%0.62318%0.181SC*.THydrogen-bonded Turntrans-70.5-4.6172.130.9-34.4000112.7K145K145-P207 VanDerWaalsContact CE-O 3.3Å; K145-P207 WeakPolarHBondContact CE-O 3.5Å
208H98.6Very high98.5Very high46 Ų4628.1 Ų28.121%0.21316%0.16CC..THydrogen-bonded Turntrans-94.10.5-174.8-55.8-22000113.9V147 P148 Q151 A152 I153 S206 A210V147-H208 HydrophobicContact CG1-CB 3.67Å; P148-H208 VanDerWaalsContact CD-CE1 3.43Å; P148-H208 WeakPolarHBondContact CD-CE1 3.44Å; Q151-H208 WeakPolarHBondContact O-CB 3.3Å; Q151-H208 PolarHBondContact OE1-CD2 2.82Å; Q151-H208 PolarHBondContact OE1-NE2 2.62Å; A152-H208 WeakPolarHBondContact CA-O 3.19Å; I153-H208 HydrophobicContact CD1-CB 4.46Å; I153-H208 PolarHBondContact N-O 3.2Å; S206-H208 PolarHBondContact O-N 2.94Å; S206-H208 VanDerWaalsContact O-N 3.12Å; S206-H208 WeakPolarHBondContact OG-CB 3.42Å; S206-H208 PolarHBondContact OG-N 3.45Å; S206-H208 VanDerWaalsContact OG-N 3.15Å; H208-A210 PolarHBondContact O-N 3.09Å
209V98.9Very high98.3Very high1 Ų127.4 Ų27.41%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-64.1120.5173.7-176.90000109.6K145 I153 I155 V243K145-V209 PolarHBondContact NZ-O 3.2Å; I153-V209 HydrophobicContact CB-CG2 4.3Å; I153-V209 HydrophobicContact CG2-CG2 4.42Å; I155-V209 HydrophobicContact CD1-CG1 3.55Å; I155-V209 HydrophobicContact CD1-CG2 4.17Å; I155-V209 HydrophobicContact CG1-CG1 3.97Å; V209-V243 HydrophobicContact CB-CG2 3.93Å; V209-V243 HydrophobicContact CG1-CB 4.45Å; V209-V243 HydrophobicContact CG1-CG1 3.72Å; V209-V243 HydrophobicContact CG1-CG2 3.78Å
210A98.9Very high98.1Very high0 Ų028.7 Ų28.70%016%0.16CC..EExtended strand (participates in β ladder)trans-89.2-46.2179.200000111.5A141 A152 I153 V154 H208 L244A141-A210 HydrophobicContact CB-CB 3.47Å; A141-A210 VanDerWaalsContact CB-CB 3.47Å; A152-A210 HydrophobicContact CB-CB 4.16Å; I153-A210 WeakPolarHBondContact O-CB 3.44Å; I153-A210 PolarHBondContact O-N 3.45Å; V154-A210 HydrophobicContact CG2-CB 4.5Å; H208-A210 PolarHBondContact O-N 3.09Å; A210-L244 PolarHBondContact O-N 3.01Å
211A98.9Very high97.9Very high0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-153.8159.6-175.200000113.2A137 V154 I155 L244 I246A137-A211 HydrophobicContact CB-CB 3.65Å; V154-A211 WeakPolarHBondContact CA-O 3.42Å; V154-A211 HydrophobicContact CG1-CB 4.32Å; I155-A211 PolarHBondContact N-O 3.46Å; A211-L244 CarbonylContact C-O 3.51Å; A211-L244 WeakPolarHBondContact CA-O 3.45Å; A211-L244 HydrophobicContact CB-CB 4.02Å; A211-L244 WeakPolarHBondContact CB-O 3.3Å; A211-I246 HydrophobicContact CB-CD1 3.66Å; A211-I246 HydrophobicContact CB-CG1 4.02Å
212F98.9Very high97.8Very high0 Ų018.8 Ų18.80%012%0.116CC..EExtended strand (participates in β ladder)trans-112.4119.2159.1174.7-133.7000108.7I155 A157 I191 L199 V214 Y230 A234 L244 F245 I246I155-F212 HydrophobicContact CB-CB 4.45Å; I155-F212 HydrophobicContact CB-CD2 3.91Å; I155-F212 HydrophobicContact CG2-CD2 3.67Å; I155-F212 HydrophobicContact CG2-CE2 4.11Å; I155-F212 WeakPolarHBondContact O-CA 3.33Å; I155-F212 WeakPolarHBondContact O-CD2 3.44Å; A157-F212 HydrophobicContact CB-CE2 4.46Å; I191-F212 HydrophobicContact CD1-CE2 4.23Å; L199-F212 HydrophobicContact CD1-CB 4.16Å; L199-F212 HydrophobicContact CD1-CD1 3.87Å; L199-F212 HydrophobicContact CD1-CD2 3.97Å; L199-F212 HydrophobicContact CD1-CE1 4.21Å; L199-F212 HydrophobicContact CD1-CE2 4.31Å; L199-F212 HydrophobicContact CD1-CG 3.74Å; L199-F212 HydrophobicContact CD1-CZ 4.4Å; L199-F212 HydrophobicContact CD2-CD1 3.87Å; L199-F212 HydrophobicContact CD2-CE1 3.83Å; L199-F212 HydrophobicContact CD2-CZ 4.49Å; F212-V214 HydrophobicContact CD1-CB 4.4Å; F212-V214 HydrophobicContact CD1-CG1 4.32Å; F212-V214 HydrophobicContact CE1-CB 3.74Å; F212-V214 HydrophobicContact CE1-CG1 3.78Å; F212-V214 HydrophobicContact CE1-CG2 4.1Å; F212-V214 HydrophobicContact CE2-CB 4.06Å; F212-V214 HydrophobicContact CE2-CG2 4.34Å; F212-V214 HydrophobicContact CZ-CB 3.55Å; F212-V214 HydrophobicContact CZ-CG1 4.14Å; F212-V214 HydrophobicContact CZ-CG2 3.63Å; F212-Y230 WeakPolarHBondContact CZ-OH 3.46Å; F212-A234 HydrophobicContact CD1-CB 4.34Å; F212-A234 HydrophobicContact CE1-CB 4.01Å; F212-L244 PolarHBondContact N-O 2.81Å; F212-F245 HydrophobicContact CD1-CD2 4.02Å; F212-F245 AromaticContact CD1-CE2 3.9Å; F212-F245 HydrophobicContact CD1-CE2 3.9Å; F212-F245 HydrophobicContact CE1-CE2 4.17Å; F212-I246 PolarHBondContact O-N 2.72Å
213M98.9Very high97.7Very high4 Ų418.7 Ų18.72%0.0212%0.115CC..EExtended strand (participates in β ladder)trans-106.9126.1176.1-176.4179162.700110.5C130 V134 V154 I155 F156 W162 I246 D248C130-M213 HydrophobicContact CB-CE 3.58Å; C130-M213 HydrophobicContact CB-SD 4.48Å; C130-M213 WeakPolarHBondContact SG-CE 3.25Å; V134-M213 HydrophobicContact CG2-SD 4.22Å; V154-M213 HydrophobicContact CG1-CB 4.44Å; I155-M213 PolarHBondContact O-N 3.08Å; F156-M213 HydrophobicContact CD1-CB 4.08Å; F156-M213 HydrophobicContact CD1-CG 4.5Å; F156-M213 HydrophobicContact CE1-CB 3.89Å; F156-M213 HydrophobicContact CE1-CG 4.2Å; F156-M213 HydrophobicContact CE1-SD 3.75Å; W162-M213 HydrophobicContact CB-CE 3.83Å; W162-M213 HydrophobicContact CD2-CE 4.34Å; W162-M213 HydrophobicContact CG-CE 4.05Å; M213-I246 WeakPolarHBondContact CA-O 3.47Å; M213-I246 HydrophobicContact CB-CB 3.99Å; M213-I246 HydrophobicContact CB-CD1 4.32Å; M213-I246 HydrophobicContact CB-CG2 4.36Å; M213-I246 HydrophobicContact CG-CB 4.01Å; M213-I246 HydrophobicContact CG-CG2 3.85Å; M213-I246 HydrophobicContact SD-CG2 4.36Å; M213-D248 HydrophobicContact CE-CB 3.86Å; M213-D248 WeakPolarHBondContact CE-OD2 3.25Å
214V98.9Very high97.6Very high5 Ų523.3 Ų23.33%0.0313%0.132CC..EExtended strand (participates in β ladder)trans-146.7141.5-17373.80000112A157 Y193 F212 Y230 F245 I246 D248A157-V214 HydrophobicContact CB-CG2 4.21Å; Y193-V214 HydrophobicContact CD2-CG2 4.19Å; Y193-V214 HydrophobicContact CE2-CG2 3.84Å; F212-V214 HydrophobicContact CD1-CB 4.4Å; F212-V214 HydrophobicContact CD1-CG1 4.32Å; F212-V214 HydrophobicContact CE1-CB 3.74Å; F212-V214 HydrophobicContact CE1-CG1 3.78Å; F212-V214 HydrophobicContact CE1-CG2 4.1Å; F212-V214 HydrophobicContact CE2-CB 4.06Å; F212-V214 HydrophobicContact CE2-CG2 4.34Å; F212-V214 HydrophobicContact CZ-CB 3.55Å; F212-V214 HydrophobicContact CZ-CG1 4.14Å; F212-V214 HydrophobicContact CZ-CG2 3.63Å; V214-Y230 HydrophobicContact CG2-CE1 4.35Å; V214-F245 HydrophobicContact CG1-CE2 3.91Å; V214-F245 HydrophobicContact CG1-CZ 3.69Å; V214-I246 PolarHBondContact N-O 2.78Å; V214-D248 PolarHBondContact O-N 3.07Å
215E98.8Very high97.7Very high14 Ų1422.3 Ų22.37%0.06512%0.123CC..  trans-75.8126.8163.5-65.7163.378.100108.7N160 F161 Y193 I217 Q218 G219 D248N160-E215 WeakPolarHBondContact CA-OE2 3.12Å; F161-E215 PolarHBondContact N-OE2 2.69Å; Y193-E215 PolarHBondContact OH-O 2.91Å; E215-I217 PolarHBondContact O-N 3.34Å; E215-I217 VanDerWaalsContact O-N 3.14Å; E215-Q218 HydrophobicContact CB-CG 4.38Å; E215-G219 PolarHBondContact OE1-N 3.47Å; E215-D248 HydrophobicContact CG-CB 4.07Å
216P98.7Very high97.7Very high1 Ų119.5 Ų19.51%0.00610%0.103CC..SBendtrans-53.3-34.4174.7-30.938.6000113.5Y193 P226 L231 D248 E249 T252 C262Y193-P216 PolarHBondContact OH-O 3Å; Y193-P216 VanDerWaalsContact OH-O 3.11Å; P216-P226 WeakPolarHBondContact O-CD 3.37Å; P216-P226 WeakPolarHBondContact O-CG 3.36Å; P216-L231 HydrophobicContact CB-CD1 3.82Å; P216-L231 HydrophobicContact CB-CD2 4.47Å; P216-D248 WeakPolarHBondContact CD-O 3.44Å; P216-E249 HydrophobicContact CG-CG 4.11Å; P216-T252 HydrophobicContact CB-CG2 4.49Å; P216-C262 HydrophobicContact CB-CB 3.6Å; P216-C262 VanDerWaalsContact CB-SG 3.54Å; P216-C262 HydrophobicContact CG-CB 4.13Å
217I98.6Very high97.7Very high2 Ų220.5 Ų20.51%0.0111%0.113CC..SBendtrans-137.5124.1168.5-60.6175.8000106.1E215 G219 V223 R224 I225 T252 T257 K359 L362E215-I217 PolarHBondContact O-N 3.34Å; E215-I217 VanDerWaalsContact O-N 3.14Å; I217-G219 PolarHBondContact O-N 3.47Å; I217-V223 HydrophobicContact CG2-CG1 3.95Å; I217-R224 WeakPolarHBondContact CG2-O 3.45Å; I217-I225 HydrophobicContact CD1-CG1 4.43Å; I217-I225 HydrophobicContact CG2-CG1 4.27Å; I217-T252 HydrophobicContact CB-CG2 3.76Å; I217-T252 HydrophobicContact CG1-CG2 4.38Å; I217-T252 WeakPolarHBondContact O-CG2 3.38Å; I217-T257 HydrophobicContact CD1-CG2 3.83Å; I217-K359 HydrophobicContact CD1-CB 3.76Å; I217-K359 HydrophobicContact CD1-CD 4.24Å; I217-L362 HydrophobicContact CB-CD2 4.36Å; I217-L362 HydrophobicContact CG2-CD2 4.08Å
218Q98.2Very high97.8Very high2 Ų221.9 Ų21.91%0.00912%0.122CC..BIsolated β-bridgetrans-72.396.5175.2-64.8180-38.800109.7A158 G159 Y193 E215 A221 V223 R224A158-Q218 PolarHBondContact O-NE2 2.97Å; G159-Q218 PolarHBondContact O-NE2 2.87Å; Y193-Q218 HydrophobicContact CD1-CG 4.25Å; Y193-Q218 HydrophobicContact CD2-CG 4.31Å; Y193-Q218 HydrophobicContact CE1-CG 4.08Å; Y193-Q218 HydrophobicContact CE2-CG 4.13Å; Y193-Q218 HydrophobicContact CG-CG 4.35Å; E215-Q218 HydrophobicContact CB-CG 4.38Å; Q218-A221 HydrophobicContact CB-CB 3.58Å; Q218-V223 VanDerWaalsContact O-CA 3.32Å; Q218-V223 WeakPolarHBondContact O-CA 3.31Å; Q218-V223 PolarHBondContact O-N 3.39Å; Q218-V223 VanDerWaalsContact O-N 3.08Å; Q218-R224 HydrophobicContact CB-CB 4.27Å; Q218-R224 PolarHBondContact N-O 3.15Å; Q218-R224 PolarHBondContact O-N 3.01Å
219G96Very high97.7Very high0 Ų020.8 Ų20.80%012%0.122CC..SBendtrans-78.7-39.6-172.800000112.7E215 I217 A221 G222 V223E215-G219 PolarHBondContact OE1-N 3.47Å; I217-G219 PolarHBondContact O-N 3.47Å; G219-A221 VanDerWaalsContact C-N 3.28Å; G219-A221 PolarHBondContact O-N 2.95Å; G219-G222 PolarHBondContact O-N 3.09Å; G219-G222 VanDerWaalsContact O-N 3.08Å; G219-V223 PolarHBondContact O-N 3.2Å; G219-V223 VanDerWaalsContact O-N 3.14Å
220E94.3Very high97.7Very high26 Ų2620.9 Ų20.912%0.12112%0.123CC..THydrogen-bonded Turntrans-72.9-17172.8-63.4-55.4133.200113Y69 F161 G222 Q251 T390 H391 R396Y69-E220 WeakPolarHBondContact CD1-OE1 3.36Å; F161-E220 HydrophobicContact CB-CB 3.75Å; F161-E220 HydrophobicContact CB-CG 4.09Å; F161-E220 HydrophobicContact CD1-CB 4.08Å; F161-E220 HydrophobicContact CD1-CG 3.44Å; F161-E220 VanDerWaalsContact CD1-CG 3.44Å; F161-E220 HydrophobicContact CD2-CB 4.42Å; F161-E220 HydrophobicContact CD2-CG 4.44Å; F161-E220 HydrophobicContact CE1-CG 3.93Å; F161-E220 HydrophobicContact CG-CB 3.83Å; F161-E220 HydrophobicContact CG-CG 3.73Å; E220-G222 PolarHBondContact O-N 3.44Å; E220-Q251 PolarHBondContact OE1-NE2 3.23Å; E220-Q251 VanDerWaalsContact OE1-NE2 3.13Å; E220-T390 WeakPolarHBondContact O-CG2 3.47Å; E220-H391 PolarHBondContact O-CD2 3.08Å; E220-H391 PolarHBondContact O-NE2 2.83Å; E220-R396 IonicContact OE1-CZ 2.83Å; E220-R396 IonicContact OE1-NH1 2.7Å; E220-R396 PolarHBondContact OE1-NH1 3.06Å; E220-R396 IonicContact OE1-NH2 2.98Å; E220-R396 IonicContact OE2-NH1 3.44Å
221A94.4Very high97.7Very high11 Ų1121 Ų219%0.09112%0.124CC..THydrogen-bonded Turntrans-78.611.1167.300000112.9Q218 G219 R224Q218-A221 HydrophobicContact CB-CB 3.58Å; G219-A221 VanDerWaalsContact C-N 3.28Å; G219-A221 PolarHBondContact O-N 2.95Å; A221-R224 HydrophobicContact CB-CG 4Å; A221-R224 WeakPolarHBondContact O-CG 3.3Å
222G95.3Very high97.7Very high1 Ų125.6 Ų25.61%0.0114%0.141CC..THydrogen-bonded Turntrans82.847.9-177.300000113.2G219 E220 R224 R357G219-G222 PolarHBondContact O-N 3.09Å; G219-G222 VanDerWaalsContact O-N 3.08Å; E220-G222 PolarHBondContact O-N 3.44Å; G222-R224 PolarHBondContact O-N 3.46Å; G222-R357 PolarHBondContact O-NE 3.24Å; G222-R357 PolarHBondContact O-NH2 3.01Å
223V97.3Very high97.7Very high0 Ų031 Ų310%016%0.164CC..SBendtrans54.756.1175.3-169.30000111.2I217 Q218 G219 I225 R357 L362 A364 R396I217-V223 HydrophobicContact CG2-CG1 3.95Å; Q218-V223 VanDerWaalsContact O-CA 3.32Å; Q218-V223 WeakPolarHBondContact O-CA 3.31Å; Q218-V223 PolarHBondContact O-N 3.39Å; Q218-V223 VanDerWaalsContact O-N 3.08Å; G219-V223 PolarHBondContact O-N 3.2Å; G219-V223 VanDerWaalsContact O-N 3.14Å; V223-I225 HydrophobicContact CG1-CG1 4.48Å; V223-I225 PolarHBondContact O-N 3.07Å; V223-R357 VanDerWaalsContact O-CD 3.25Å; V223-R357 WeakPolarHBondContact O-CD 3.17Å; V223-R357 PolarHBondContact O-NE 3.11Å; V223-L362 HydrophobicContact CG1-CD2 4.38Å; V223-L362 HydrophobicContact CG1-CG 3.92Å; V223-L362 WeakPolarHBondContact CG1-O 3.13Å; V223-L362 HydrophobicContact CG2-CD1 4.01Å; V223-L362 HydrophobicContact CG2-CG 3.98Å; V223-A364 HydrophobicContact CB-CB 3.82Å; V223-A364 HydrophobicContact CG2-CB 3.73Å; V223-R396 HydrophobicContact CG2-CG 3.94Å
224R97.6Very high97.7Very high101 Ų10130.8 Ų30.838%0.38116%0.163SC..BIsolated β-bridgetrans-78110.6175.6-63.3-179.568.4-171.54.4109.1Y193 I217 Q218 A221 G222Y193-R224 HydrophobicContact CD1-CB 4.49Å; Y193-R224 HydrophobicContact CE1-CB 4.16Å; I217-R224 WeakPolarHBondContact CG2-O 3.45Å; Q218-R224 HydrophobicContact CB-CB 4.27Å; Q218-R224 PolarHBondContact N-O 3.15Å; Q218-R224 PolarHBondContact O-N 3.01Å; A221-R224 HydrophobicContact CB-CG 4Å; A221-R224 WeakPolarHBondContact O-CG 3.3Å; G222-R224 PolarHBondContact O-N 3.46Å
225I97.9Very high97.7Very high61 Ų6132 Ų3231%0.31317%0.168SC..PPolyproline II helixtrans-87.7128.3178.2-54.7-179.6000107.9I217 V223 R357 G358 K359I217-I225 HydrophobicContact CD1-CG1 4.43Å; I217-I225 HydrophobicContact CG2-CG1 4.27Å; V223-I225 HydrophobicContact CG1-CG1 4.48Å; V223-I225 PolarHBondContact O-N 3.07Å; I225-R357 HydrophobicContact CD1-CB 4.34Å; I225-G358 WeakPolarHBondContact CD1-O 3.38Å; I225-K359 HydrophobicContact CD1-CB 4.47Å
226P98.2Very high97.7Very high15 Ų1535.5 Ų35.510%0.09719%0.185CC..PPolyproline II helixtrans-74.1166.9175.633.3-33.1000110.5Y193 N194 P216 Y230Y193-P226 HydrophobicContact CE1-CB 4.2Å; Y193-P226 VanDerWaalsContact OH-CD 3.28Å; Y193-P226 WeakPolarHBondContact OH-CD 3.29Å; Y193-P226 WeakPolarHBondContact OH-CG 3.38Å; N194-P226 HydrophobicContact CB-CB 4.11Å; N194-P226 WeakPolarHBondContact OD1-CB 3.35Å; P216-P226 WeakPolarHBondContact O-CD 3.37Å; P216-P226 WeakPolarHBondContact O-CG 3.36Å; P226-Y230 HydrophobicContact CB-CD1 3.45Å; P226-Y230 VanDerWaalsContact CB-CD1 3.45Å; P226-Y230 HydrophobicContact CB-CE1 4.21Å; P226-Y230 HydrophobicContact CB-CG 3.76Å; P226-Y230 HydrophobicContact CG-CD1 3.86Å; P226-Y230 HydrophobicContact CG-CG 4.48Å
227A98Very high97.7Very high45 Ų4536.2 Ų36.237%0.37219%0.188SC..PPolyproline II helixtrans-63.4148.7174.600000110.4N194 G229 Y230N194-A227 VanDerWaalsContact CG-N 3.29Å; N194-A227 PolarHBondContact ND2-N 2.82Å; N194-A227 VanDerWaalsContact ND2-N 3.18Å; N194-A227 PolarHBondContact OD1-N 3.19Å; A227-G229 PolarHBondContact O-N 2.85Å; A227-Y230 WeakPolarHBondContact O-CB 3.35Å; A227-Y230 PolarHBondContact O-N 3.05Å; A227-Y230 VanDerWaalsContact O-N 3.1Å
228P97.8Very high97.7Very high125 Ų12536.1 Ų36.181%0.81219%0.188SC*.THydrogen-bonded Turntrans-53.2132.8175.2-26.134.5000112.3Y230P228-Y230 VanDerWaalsContact C-N 3.32Å
229G98Very high97.7Very high22 Ų2241.9 Ų41.923%0.22722%0.215CC..THydrogen-bonded Turntrans84.40.8179.800000114.3A227 K233 E266A227-G229 PolarHBondContact O-N 2.85Å; G229-K233 WeakPolarHBondContact O-CB 3.22Å; G229-K233 VanDerWaalsContact O-CG 3.26Å; G229-K233 WeakPolarHBondContact O-CG 3.35Å; G229-K233 PolarHBondContact O-N 3.22Å; G229-E266 WeakPolarHBondContact CA-OE2 3.48Å; G229-E266 PolarHBondContact N-OE1 3.38Å; G229-E266 PolarHBondContact N-OE2 3.32Å
230Y98.7Very high97.8Very high3 Ų349.7 Ų49.71%0.01225%0.248CC..Hα-helixtrans-60.7-47176.8169.1-105.3000112Y193 I196 F212 V214 P226 A227 P228 K233 A234 E266Y193-Y230 HydrophobicContact CD2-CE1 4.29Å; Y193-Y230 AromaticContact CE2-CE1 3.81Å; Y193-Y230 HydrophobicContact CE2-CE1 3.81Å; I196-Y230 HydrophobicContact CD1-CD2 3.47Å; I196-Y230 VanDerWaalsContact CD1-CD2 3.47Å; I196-Y230 HydrophobicContact CD1-CE2 3.81Å; I196-Y230 HydrophobicContact CD1-CG 4.44Å; I196-Y230 HydrophobicContact CG1-CD2 3.97Å; I196-Y230 HydrophobicContact CG1-CE2 4.48Å; F212-Y230 WeakPolarHBondContact CZ-OH 3.46Å; V214-Y230 HydrophobicContact CG2-CE1 4.35Å; P226-Y230 HydrophobicContact CB-CD1 3.45Å; P226-Y230 VanDerWaalsContact CB-CD1 3.45Å; P226-Y230 HydrophobicContact CB-CE1 4.21Å; P226-Y230 HydrophobicContact CB-CG 3.76Å; P226-Y230 HydrophobicContact CG-CD1 3.86Å; P226-Y230 HydrophobicContact CG-CG 4.48Å; A227-Y230 WeakPolarHBondContact O-CB 3.35Å; A227-Y230 PolarHBondContact O-N 3.05Å; A227-Y230 VanDerWaalsContact O-N 3.1Å; P228-Y230 VanDerWaalsContact C-N 3.32Å; Y230-K233 PolarHBondContact O-N 2.92Å; Y230-A234 WeakPolarHBondContact O-CB 3.35Å; Y230-A234 PolarHBondContact O-N 2.96Å; Y230-E266 PolarHBondContact N-OE2 3.35Å
231L98.7Very high98Very high4 Ų450.9 Ų50.92%0.02126%0.256CS..Hα-helixtrans-67-41.4-177.7-59.2175.8000110.5P216 A234 F235 F245 E266 V268P216-L231 HydrophobicContact CB-CD1 3.82Å; P216-L231 HydrophobicContact CB-CD2 4.47Å; L231-A234 PolarHBondContact O-N 3.5Å; L231-F235 VanDerWaalsContact O-CB 3.3Å; L231-F235 WeakPolarHBondContact O-CB 3.4Å; L231-F235 PolarHBondContact O-N 2.57Å; L231-F245 HydrophobicContact CD2-CZ 4.43Å; L231-E266 WeakPolarHBondContact CA-OE2 3.29Å; L231-E266 WeakPolarHBondContact CB-OE2 3.15Å; L231-E266 PolarHBondContact N-OE2 3.45Å; L231-V268 HydrophobicContact CB-CG2 4.46Å
232R98.7Very high98.2Very high96 Ų9654.8 Ų54.836%0.36228%0.275SS..Hα-helixtrans-59.6-51.2175.9-177.667-161.5-174.77.1111.9F235 E236 E266 G267 V268R232-F235 PolarHBondContact O-N 3.09Å; R232-E236 IonicContact CZ-OE1 3.41Å; R232-E236 IonicContact NE-OE1 3.18Å; R232-E236 PolarHBondContact NE-OE1 3.24Å; R232-E236 IonicContact NH2-OE1 2.66Å; R232-E236 PolarHBondContact NH2-OE1 3.41Å; R232-E236 WeakPolarHBondContact O-CG 3.28Å; R232-E236 PolarHBondContact O-N 2.76Å; R232-E266 HydrophobicContact CB-CB 4.18Å; R232-E266 PolarHBondContact N-OE2 2.91Å; R232-G267 PolarHBondContact NH1-O 2.79Å; R232-V268 HydrophobicContact CB-CG2 4.23Å
233K98.8Very high98.4Very high112 Ų11254.8 Ų54.849%0.48728%0.275SS..Hα-helixtrans-64.3-41.2179.5-72.4172.9-179177.90111.8I196 G229 Y230 E236 I237I196-K233 HydrophobicContact CD1-CB 3.64Å; I196-K233 HydrophobicContact CG1-CB 4.1Å; I196-K233 HydrophobicContact CG1-CD 4.25Å; I196-K233 HydrophobicContact CG2-CB 4.44Å; G229-K233 WeakPolarHBondContact O-CB 3.22Å; G229-K233 VanDerWaalsContact O-CG 3.26Å; G229-K233 WeakPolarHBondContact O-CG 3.35Å; G229-K233 PolarHBondContact O-N 3.22Å; Y230-K233 PolarHBondContact O-N 2.92Å; K233-E236 PolarHBondContact O-N 3.29Å; K233-I237 WeakPolarHBondContact O-CB 3.44Å; K233-I237 VanDerWaalsContact O-CG1 3.31Å; K233-I237 WeakPolarHBondContact O-CG1 3.39Å; K233-I237 PolarHBondContact O-N 3.43Å
234A98.8Very high98.4Very high0 Ų055.2 Ų55.20%028%0.277CS..Hα-helixtrans-62.5-44.517700000111.9I196 L199 F212 Y230 L231 I237 C238 F245I196-A234 HydrophobicContact CD1-CB 4.26Å; L199-A234 HydrophobicContact CD2-CB 3.41Å; L199-A234 VanDerWaalsContact CD2-CB 3.41Å; F212-A234 HydrophobicContact CD1-CB 4.34Å; F212-A234 HydrophobicContact CE1-CB 4.01Å; Y230-A234 WeakPolarHBondContact O-CB 3.35Å; Y230-A234 PolarHBondContact O-N 2.96Å; L231-A234 PolarHBondContact O-N 3.5Å; A234-I237 PolarHBondContact O-N 2.92Å; A234-C238 WeakPolarHBondContact O-CB 3.39Å; A234-C238 PolarHBondContact O-N 2.82Å; A234-C238 PolarHBondContact O-SG 3.46Å; A234-F245 HydrophobicContact CB-CD2 4.5Å; A234-F245 HydrophobicContact CB-CE2 3.84Å
235F98.8Very high98.5Very high30 Ų3050.4 Ų50.413%0.13226%0.259CS..Hα-helixtrans-59.2-48.3173.5173.7-99000111.8L231 R232 I237 C238 H239 F245 V268 R269L231-F235 VanDerWaalsContact O-CB 3.3Å; L231-F235 WeakPolarHBondContact O-CB 3.4Å; L231-F235 PolarHBondContact O-N 2.57Å; R232-F235 PolarHBondContact O-N 3.09Å; F235-I237 PolarHBondContact O-N 2.85Å; F235-C238 PolarHBondContact O-N 3.13Å; F235-H239 WeakPolarHBondContact O-CB 3.44Å; F235-H239 PolarHBondContact O-N 2.95Å; F235-F245 HydrophobicContact CB-CD2 4.26Å; F235-F245 HydrophobicContact CB-CG 4.29Å; F235-F245 HydrophobicContact CD2-CB 3.85Å; F235-F245 HydrophobicContact CD2-CD1 4.16Å; F235-F245 HydrophobicContact CD2-CG 4.01Å; F235-V268 HydrophobicContact CB-CG1 3.8Å; F235-V268 HydrophobicContact CB-CG2 4.09Å; F235-V268 HydrophobicContact CD2-CG1 3.82Å; F235-V268 HydrophobicContact CG-CG1 3.79Å; F235-V268 HydrophobicContact CG-CG2 4.43Å; F235-R269 WeakPolarHBondContact CE2-O 3.5Å
236E98.8Very high98.5Very high88 Ų8847.5 Ų47.541%0.41124%0.244SC..Hα-helixtrans-61.4-41.8179-74172.6166.800112.7R232 K233 K240R232-E236 IonicContact CZ-OE1 3.41Å; R232-E236 IonicContact NE-OE1 3.18Å; R232-E236 PolarHBondContact NE-OE1 3.24Å; R232-E236 IonicContact NH2-OE1 2.66Å; R232-E236 PolarHBondContact NH2-OE1 3.41Å; R232-E236 WeakPolarHBondContact O-CG 3.28Å; R232-E236 PolarHBondContact O-N 2.76Å; K233-E236 PolarHBondContact O-N 3.29Å; E236-K240 WeakPolarHBondContact O-CB 3.41Å; E236-K240 PolarHBondContact O-N 3.19Å
237I98.7Very high98.6Very high16 Ų1646.8 Ų46.88%0.08224%0.239CC..Hα-helixtrans-61.9-46.7174.6-72.8163.9000110.6I196 L199 E200 V203 K233 A234 F235 N241I196-I237 HydrophobicContact CG2-CD1 3.52Å; L199-I237 HydrophobicContact CG-CG2 4.35Å; E200-I237 HydrophobicContact CB-CD1 4.1Å; E200-I237 HydrophobicContact CB-CG2 4.5Å; V203-I237 HydrophobicContact CB-CG2 4.21Å; V203-I237 HydrophobicContact CG1-CG2 4.21Å; V203-I237 HydrophobicContact CG2-CG2 4.27Å; K233-I237 WeakPolarHBondContact O-CB 3.44Å; K233-I237 VanDerWaalsContact O-CG1 3.31Å; K233-I237 WeakPolarHBondContact O-CG1 3.39Å; K233-I237 PolarHBondContact O-N 3.43Å; A234-I237 PolarHBondContact O-N 2.92Å; F235-I237 PolarHBondContact O-N 2.85Å; I237-N241 PolarHBondContact O-N 3Å; I237-N241 PolarHBondContact O-ND2 3.01Å
238C98.8Very high98.6Very high0 Ų045 Ų450%022%0.224CC..Hα-helixtrans-61-51.6179.5-68.80000110.7A234 F235 K240 N241 N242 V243 F245A234-C238 WeakPolarHBondContact O-CB 3.39Å; A234-C238 PolarHBondContact O-N 2.82Å; A234-C238 PolarHBondContact O-SG 3.46Å; F235-C238 PolarHBondContact O-N 3.13Å; C238-K240 PolarHBondContact O-N 3.46Å; C238-N241 CarbonylContact O-C 3.49Å; C238-N241 PolarHBondContact O-N 3.4Å; C238-N241 VanDerWaalsContact O-N 3.09Å; C238-N242 PolarHBondContact O-N 3.22Å; C238-N242 VanDerWaalsContact O-N 3.15Å; C238-V243 CarbonylContact C-O 3.59Å; C238-V243 VanDerWaalsContact C-O 3.22Å; C238-V243 HydrophobicContact CB-CB 4.15Å; C238-V243 HydrophobicContact CB-CG1 4.21Å; C238-V243 VanDerWaalsContact CB-O 3.3Å; C238-V243 WeakPolarHBondContact CB-O 3.49Å; C238-V243 PolarHBondContact O-N 3.02Å; C238-F245 HydrophobicContact CB-CB 4.21Å
239H98.1Very high98.7Very high124 Ų12439.1 Ų39.157%0.57419%0.185SC*.Hα-helixtrans-61.6-44.6-178.8-170.6-88.9000112.4F235 N241 N242F235-H239 WeakPolarHBondContact O-CB 3.44Å; F235-H239 PolarHBondContact O-N 2.95Å; H239-N241 PolarHBondContact O-N 3.2Å; H239-N242 PolarHBondContact O-N 2.95Å
240K98.3Very high98.7Very high164 Ų16438.6 Ų38.671%0.71318%0.178SC*.Hα-helixtrans-58-30.3176.3-178.2-176.9174.1-171.70112.7E236 C238E236-K240 WeakPolarHBondContact O-CB 3.41Å; E236-K240 PolarHBondContact O-N 3.19Å; C238-K240 PolarHBondContact O-N 3.46Å
241N98.5Very high98.7Very high51 Ų5138.9 Ų38.927%0.27318%0.179SC..THydrogen-bonded Turntrans-104.814.6-176.3-67.9-79.2000113.3K145 V203 I237 C238 H239 V243K145-N241 PolarHBondContact NZ-O 3.32Å; V203-N241 HydrophobicContact CG1-CB 3.28Å; I237-N241 PolarHBondContact O-N 3Å; I237-N241 PolarHBondContact O-ND2 3.01Å; C238-N241 CarbonylContact O-C 3.49Å; C238-N241 PolarHBondContact O-N 3.4Å; C238-N241 VanDerWaalsContact O-N 3.09Å; H239-N241 PolarHBondContact O-N 3.2Å; N241-V243 VanDerWaalsContact C-N 3.27Å; N241-V243 HydrophobicContact CB-CG2 4.33Å; N241-V243 PolarHBondContact O-N 3.49Å
242N98.2Very high98.7Very high92 Ų9238.7 Ų38.749%0.49218%0.178SC..THydrogen-bonded Turntrans52.247.2-177.7-167.929.6000111.6W140 K145 C238 H239W140-N242 WeakPolarHBondContact CH2-O 3.39Å; W140-N242 WeakPolarHBondContact CH2-OD1 3.41Å; K145-N242 WeakPolarHBondContact CD-O 3.45Å; K145-N242 WeakPolarHBondContact CE-O 3.44Å; K145-N242 PolarHBondContact NZ-O 3.49Å; C238-N242 PolarHBondContact O-N 3.22Å; C238-N242 VanDerWaalsContact O-N 3.15Å; H239-N242 PolarHBondContact O-N 2.95Å
243V98.9Very high98.7Very high2 Ų234.3 Ų34.31%0.01216%0.162CC..  trans-116.1135.3175.41710000107.2V203 V209 C238 N241V203-V243 HydrophobicContact CG1-CG2 3.91Å; V209-V243 HydrophobicContact CB-CG2 3.93Å; V209-V243 HydrophobicContact CG1-CB 4.45Å; V209-V243 HydrophobicContact CG1-CG1 3.72Å; V209-V243 HydrophobicContact CG1-CG2 3.78Å; C238-V243 CarbonylContact C-O 3.59Å; C238-V243 VanDerWaalsContact C-O 3.22Å; C238-V243 HydrophobicContact CB-CB 4.15Å; C238-V243 HydrophobicContact CB-CG1 4.21Å; C238-V243 VanDerWaalsContact CB-O 3.3Å; C238-V243 WeakPolarHBondContact CB-O 3.49Å; C238-V243 PolarHBondContact O-N 3.02Å; N241-V243 VanDerWaalsContact C-N 3.27Å; N241-V243 HydrophobicContact CB-CG2 4.33Å; N241-V243 PolarHBondContact O-N 3.49Å
244L98.9Very high98.7Very high8 Ų829.1 Ų29.14%0.04214%0.14CC..EExtended strand (participates in β ladder)trans-74135.5178.8-56.5178.4000111.1A137 W140 A210 A211 F212 D271 I272 I295A137-L244 HydrophobicContact CB-CD1 4.16Å; W140-L244 HydrophobicContact CB-CD1 4.23Å; W140-L244 HydrophobicContact CD2-CD1 3.78Å; W140-L244 HydrophobicContact CD2-CD2 4.12Å; W140-L244 HydrophobicContact CD2-CG 4.05Å; W140-L244 HydrophobicContact CE3-CD1 3.7Å; W140-L244 HydrophobicContact CE3-CD2 4.22Å; W140-L244 HydrophobicContact CE3-CG 3.75Å; W140-L244 HydrophobicContact CG-CD1 4Å; W140-L244 HydrophobicContact CH2-CD2 4.12Å; W140-L244 HydrophobicContact CH2-CG 4.25Å; W140-L244 HydrophobicContact CZ2-CD2 4.01Å; W140-L244 HydrophobicContact CZ3-CD1 4.33Å; W140-L244 HydrophobicContact CZ3-CD2 4.22Å; W140-L244 HydrophobicContact CZ3-CG 3.86Å; A210-L244 PolarHBondContact O-N 3.01Å; A211-L244 CarbonylContact C-O 3.51Å; A211-L244 WeakPolarHBondContact CA-O 3.45Å; A211-L244 HydrophobicContact CB-CB 4.02Å; A211-L244 WeakPolarHBondContact CB-O 3.3Å; F212-L244 PolarHBondContact N-O 2.81Å; L244-D271 WeakPolarHBondContact CA-OD2 3.28Å; L244-D271 HydrophobicContact CB-CB 4.17Å; L244-D271 HydrophobicContact CD2-CB 3.99Å; L244-I272 HydrophobicContact CD1-CD1 4.3Å; L244-I295 HydrophobicContact CD1-CD1 4.29Å; L244-I295 HydrophobicContact CD1-CG1 4.36Å; L244-I295 HydrophobicContact CD1-CG2 4.25Å; L244-I295 HydrophobicContact CD2-CD1 3.73Å; L244-I295 HydrophobicContact CD2-CG1 4.15Å
245F98.9Very high98.7Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-95.2116170.1-174.2-91000110.2F212 V214 L231 A234 F235 C238 A247 V268 P270 D271 I272F212-F245 HydrophobicContact CD1-CD2 4.02Å; F212-F245 AromaticContact CD1-CE2 3.9Å; F212-F245 HydrophobicContact CD1-CE2 3.9Å; F212-F245 HydrophobicContact CE1-CE2 4.17Å; V214-F245 HydrophobicContact CG1-CE2 3.91Å; V214-F245 HydrophobicContact CG1-CZ 3.69Å; L231-F245 HydrophobicContact CD2-CZ 4.43Å; A234-F245 HydrophobicContact CB-CD2 4.5Å; A234-F245 HydrophobicContact CB-CE2 3.84Å; F235-F245 HydrophobicContact CB-CD2 4.26Å; F235-F245 HydrophobicContact CB-CG 4.29Å; F235-F245 HydrophobicContact CD2-CB 3.85Å; F235-F245 HydrophobicContact CD2-CD1 4.16Å; F235-F245 HydrophobicContact CD2-CG 4.01Å; C238-F245 HydrophobicContact CB-CB 4.21Å; F245-A247 HydrophobicContact CE1-CB 4.21Å; F245-V268 HydrophobicContact CD1-CG1 4.27Å; F245-V268 HydrophobicContact CE1-CG1 4.01Å; F245-P270 HydrophobicContact CD1-CB 3.99Å; F245-P270 HydrophobicContact CD1-CG 4.32Å; F245-P270 HydrophobicContact CE1-CB 4.48Å; F245-P270 HydrophobicContact CE1-CG 4.36Å; F245-D271 PolarHBondContact N-OD2 3.44Å; F245-D271 PolarHBondContact O-N 3.06Å; F245-I272 PolarHBondContact O-N 3.35Å
246I99Very high98.7Very high0 Ų027.7 Ų27.70%013%0.134CC..EExtended strand (participates in β ladder)trans-106.9118.3179.2-49.8177.6000108.9A133 A137 A211 F212 M213 V214 I272 V274A133-I246 HydrophobicContact CB-CD1 4.27Å; A133-I246 HydrophobicContact CB-CG2 3.94Å; A137-I246 HydrophobicContact CB-CD1 3.99Å; A211-I246 HydrophobicContact CB-CD1 3.66Å; A211-I246 HydrophobicContact CB-CG1 4.02Å; F212-I246 PolarHBondContact O-N 2.72Å; M213-I246 WeakPolarHBondContact CA-O 3.47Å; M213-I246 HydrophobicContact CB-CB 3.99Å; M213-I246 HydrophobicContact CB-CD1 4.32Å; M213-I246 HydrophobicContact CB-CG2 4.36Å; M213-I246 HydrophobicContact CG-CB 4.01Å; M213-I246 HydrophobicContact CG-CG2 3.85Å; M213-I246 HydrophobicContact SD-CG2 4.36Å; V214-I246 PolarHBondContact N-O 2.78Å; I246-I272 WeakPolarHBondContact CA-O 3.22Å; I246-I272 HydrophobicContact CB-CB 4.4Å; I246-I272 HydrophobicContact CD1-CD1 4.11Å; I246-I272 HydrophobicContact CG1-CB 4.06Å; I246-I272 HydrophobicContact CG1-CD1 4.09Å; I246-I272 HydrophobicContact CG1-CG1 4.3Å; I246-I272 HydrophobicContact CG2-CB 4.12Å; I246-I272 HydrophobicContact CG2-CG2 4.26Å; I246-V274 HydrophobicContact CG2-CG2 4.01Å
247A98.9Very high98.7Very high0 Ų023.5 Ų23.50%011%0.114CC..EExtended strand (participates in β ladder)trans-95.5114.9173.200000110.6F245 E249 P270 I272 V274F245-A247 HydrophobicContact CE1-CB 4.21Å; A247-E249 HydrophobicContact CB-CG 4.03Å; A247-E249 PolarHBondContact O-N 3.14Å; A247-E249 VanDerWaalsContact O-N 3.13Å; A247-P270 HydrophobicContact CB-CB 3.85Å; A247-P270 HydrophobicContact CB-CG 3.38Å; A247-I272 PolarHBondContact N-O 2.74Å; A247-V274 PolarHBondContact O-N 3.35Å
248D98.9Very high98.7Very high9 Ų922.8 Ų22.85%0.04811%0.111CC..EExtended strand (participates in β ladder)trans-79.288.2167.5-170.8-20.7000109.2C130 W162 M213 V214 E215 P216 V250C130-D248 PolarHBondContact SG-OD2 3.26Å; W162-D248 WeakPolarHBondContact CB-OD2 3.42Å; M213-D248 HydrophobicContact CE-CB 3.86Å; M213-D248 WeakPolarHBondContact CE-OD2 3.25Å; V214-D248 PolarHBondContact O-N 3.07Å; E215-D248 HydrophobicContact CG-CB 4.07Å; P216-D248 WeakPolarHBondContact CD-O 3.44Å; D248-V250 VanDerWaalsContact C-N 3.28Å; D248-V250 WeakPolarHBondContact OD1-CB 3.31Å; D248-V250 WeakPolarHBondContact OD1-CG2 3.4Å; D248-V250 PolarHBondContact OD1-N 3.11Å; D248-V250 VanDerWaalsContact OD1-N 3.11Å
249E98.8Very high98.7Very high1 Ų127.5 Ų27.51%0.00513%0.129CC..  trans-93.615.8178.4-71.3-88.6-160.300111.5P216 A247 Q251 T252 G253 L261 C262 C263 V273 V274 L275P216-E249 HydrophobicContact CG-CG 4.11Å; A247-E249 HydrophobicContact CB-CG 4.03Å; A247-E249 PolarHBondContact O-N 3.14Å; A247-E249 VanDerWaalsContact O-N 3.13Å; E249-Q251 PolarHBondContact O-N 3.45Å; E249-T252 VanDerWaalsContact OE2-C 3.24Å; E249-T252 WeakPolarHBondContact OE2-CB 3.33Å; E249-T252 PolarHBondContact OE2-OG1 2.98Å; E249-G253 WeakPolarHBondContact O-CA 3.33Å; E249-G253 PolarHBondContact O-N 3.17Å; E249-G253 WeakPolarHBondContact OE2-CA 3.28Å; E249-G253 PolarHBondContact OE2-N 3.48Å; E249-L261 HydrophobicContact CB-CD2 4.13Å; E249-L261 HydrophobicContact CG-CD2 4.07Å; E249-L261 WeakPolarHBondContact OE1-CB 3.48Å; E249-C262 VanDerWaalsContact CD-N 3.28Å; E249-C262 WeakPolarHBondContact OE1-CA 3.15Å; E249-C262 PolarHBondContact OE1-N 3.08Å; E249-C262 WeakPolarHBondContact OE2-CB 3.35Å; E249-C262 PolarHBondContact OE2-N 3.28Å; E249-C262 VanDerWaalsContact OE2-N 3.09Å; E249-C263 PolarHBondContact OE1-N 3.08Å; E249-V273 HydrophobicContact CB-CG2 3.98Å; E249-V273 HydrophobicContact CG-CG2 3.93Å; E249-V274 CarbonylContact C-O 3.56Å; E249-V274 WeakPolarHBondContact CA-O 3.3Å; E249-V274 WeakPolarHBondContact CB-O 3.4Å; E249-V274 PolarHBondContact N-O 3.35Å; E249-V274 VanDerWaalsContact N-O 3.08Å; E249-L275 HydrophobicContact CB-CD2 4.03Å
250V98.8Very high98.7Very high11 Ų1125.4 Ų25.47%0.06712%0.116CC..THydrogen-bonded Turntrans-59.3-36.3-177.6173.20000111D248 V274 K277D248-V250 VanDerWaalsContact C-N 3.28Å; D248-V250 WeakPolarHBondContact OD1-CB 3.31Å; D248-V250 WeakPolarHBondContact OD1-CG2 3.4Å; D248-V250 PolarHBondContact OD1-N 3.11Å; D248-V250 VanDerWaalsContact OD1-N 3.11Å; V250-V274 HydrophobicContact CG2-CB 4.22Å; V250-V274 HydrophobicContact CG2-CG1 3.65Å; V250-V274 PolarHBondContact N-O 2.75Å; V250-K277 HydrophobicContact CG1-CB 4.41Å; V250-K277 HydrophobicContact CG1-CD 4.11Å; V250-K277 HydrophobicContact CG1-CG 3.73Å; V250-K277 WeakPolarHBondContact O-CB 3.35Å; V250-K277 WeakPolarHBondContact O-CD 3.41Å
251Q98.3Very high98.7Very high8 Ų817.9 Ų17.94%0.0378%0.083CC..THydrogen-bonded Turntrans-101.8-36.3175.5-168.1161.267.900113.7Y69 E220 E249 R256 K277 R396Y69-Q251 PolarHBondContact O-NE2 3.1Å; E220-Q251 PolarHBondContact OE1-NE2 3.23Å; E220-Q251 VanDerWaalsContact OE1-NE2 3.13Å; E249-Q251 PolarHBondContact O-N 3.45Å; Q251-R256 VanDerWaalsContact O-CG 3.28Å; Q251-R256 WeakPolarHBondContact O-CG 3.2Å; Q251-K277 HydrophobicContact CB-CD 4.37Å; Q251-R396 VanDerWaalsContact NE2-NH1 3.18Å
252T98.6Very high98.7Very high1 Ų115.6 Ų15.61%0.0067%0.071CC..THydrogen-bonded Turntrans-87.3-23.9-171.451.60000113.7P216 I217 E249 T257 L362P216-T252 HydrophobicContact CB-CG2 4.49Å; I217-T252 HydrophobicContact CB-CG2 3.76Å; I217-T252 HydrophobicContact CG1-CG2 4.38Å; I217-T252 WeakPolarHBondContact O-CG2 3.38Å; E249-T252 VanDerWaalsContact OE2-C 3.24Å; E249-T252 WeakPolarHBondContact OE2-CB 3.33Å; E249-T252 PolarHBondContact OE2-OG1 2.98Å; T252-T257 HydrophobicContact CG2-CG2 4.28Å; T252-T257 WeakPolarHBondContact O-CG2 3.32Å; T252-T257 PolarHBondContact O-N 3.18Å; T252-T257 PolarHBondContact O-OG1 2.98Å; T252-L362 HydrophobicContact CG2-CD2 4.1Å
253G98.5Very high98.7Very high3 Ų311.2 Ų11.23%0.0315%0.048CC..THydrogen-bonded Turntrans-78.2-169.4-17600000112.9E249 G255 R256 R260E249-G253 WeakPolarHBondContact O-CA 3.33Å; E249-G253 PolarHBondContact O-N 3.17Å; E249-G253 WeakPolarHBondContact OE2-CA 3.28Å; E249-G253 PolarHBondContact OE2-N 3.48Å; G253-G255 VanDerWaalsContact C-N 3.29Å; G253-G255 PolarHBondContact O-N 2.77Å; G253-R256 WeakPolarHBondContact O-CB 3.37Å; G253-R256 PolarHBondContact O-N 3Å; G253-R260 CarbonylContact C-O 3.46Å
254L98.7Very high98.7Very high3 Ų314.2 Ų14.22%0.0166%0.064CC..THydrogen-bonded Turntrans54.344.5175.7-55.1178.7000112.5N73 F115 R256 R260 L275 A278 L279 L322 L325N73-L254 PolarHBondContact ND2-O 2.75Å; F115-L254 HydrophobicContact CE1-CD2 4.4Å; F115-L254 HydrophobicContact CZ-CD2 3.66Å; L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 2.88Å; L254-R260 WeakPolarHBondContact CA-O 3.37Å; L254-R260 PolarHBondContact N-O 2.77Å; L254-L275 HydrophobicContact CD2-CD1 4.34Å; L254-L275 HydrophobicContact CD2-CD2 4.35Å; L254-L275 HydrophobicContact CG-CD2 4.42Å; L254-A278 HydrophobicContact CB-CB 4.23Å; L254-A278 HydrophobicContact CD1-CB 4.04Å; L254-L279 VanDerWaalsContact CD1-CA 3.42Å; L254-L279 HydrophobicContact CD1-CB 3.77Å; L254-L279 HydrophobicContact CD1-CD1 4.31Å; L254-L322 HydrophobicContact CD2-CD2 3.76Å; L254-L325 VanDerWaalsContact C-CD1 3.43Å; L254-L325 HydrophobicContact CB-CD1 3.64Å; L254-L325 HydrophobicContact CD2-CD1 4.32Å; L254-L325 WeakPolarHBondContact O-CD1 3.19Å
255G98.7Very high98.7Very high0 Ų016.9 Ų16.90%07%0.074CC..THydrogen-bonded Turntrans86.5-14.7175.500000115.1G253 T257 G258 R259 R260 S334G253-G255 VanDerWaalsContact C-N 3.29Å; G253-G255 PolarHBondContact O-N 2.77Å; G255-T257 VanDerWaalsContact C-N 3.28Å; G255-T257 PolarHBondContact O-N 2.84Å; G255-T257 VanDerWaalsContact O-N 3.16Å; G255-G258 PolarHBondContact O-N 3.28Å; G255-R259 WeakPolarHBondContact CA-O 3.26Å; G255-R259 PolarHBondContact N-O 3.33Å; G255-R259 VanDerWaalsContact N-O 3.16Å; G255-R260 PolarHBondContact N-O 2.75Å; G255-S334 WeakPolarHBondContact O-CB 3.43Å; G255-S334 PolarHBondContact O-OG 3.2Å
256R98.8Very high98.7Very high0 Ų018.6 Ų18.60%08%0.082CC..THydrogen-bonded Turntrans-55.4-39.7-171171.552.952.5-172.4-0.7113.7N73 Q251 G253 L254 S334 L361 L362 P399N73-R256 PolarHBondContact OD1-NE 2.79Å; N73-R256 VanDerWaalsContact OD1-NE 3.16Å; N73-R256 PolarHBondContact OD1-NH2 3.49Å; Q251-R256 VanDerWaalsContact O-CG 3.28Å; Q251-R256 WeakPolarHBondContact O-CG 3.2Å; G253-R256 WeakPolarHBondContact O-CB 3.37Å; G253-R256 PolarHBondContact O-N 3Å; L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 2.88Å; R256-S334 PolarHBondContact O-OG 3.02Å; R256-L361 VanDerWaalsContact NH1-CB 3.34Å; R256-L361 PolarHBondContact NH1-O 3.03Å; R256-L361 PolarHBondContact O-N 3.17Å; R256-L361 VanDerWaalsContact O-N 3.1Å; R256-L362 HydrophobicContact CG-CB 3.99Å; R256-P399 VanDerWaalsContact CZ-O 3.3Å; R256-P399 PolarHBondContact NH1-O 3.32Å; R256-P399 PolarHBondContact NH2-O 3.3Å
257T98.7Very high98.6Very high0 Ų021.3 Ų21.30%011%0.11CC..THydrogen-bonded Turntrans-90.30.7-178.856.50000114I217 T252 G255 C262 Y265 K359 G360 L362I217-T257 HydrophobicContact CD1-CG2 3.83Å; T252-T257 HydrophobicContact CG2-CG2 4.28Å; T252-T257 WeakPolarHBondContact O-CG2 3.32Å; T252-T257 PolarHBondContact O-N 3.18Å; T252-T257 PolarHBondContact O-OG1 2.98Å; G255-T257 VanDerWaalsContact C-N 3.28Å; G255-T257 PolarHBondContact O-N 2.84Å; G255-T257 VanDerWaalsContact O-N 3.16Å; T257-C262 HydrophobicContact CG2-CB 4.08Å; T257-C262 WeakPolarHBondContact OG1-CA 3.5Å; T257-C262 WeakPolarHBondContact OG1-CB 3.39Å; T257-Y265 WeakPolarHBondContact O-CE2 3.45Å; T257-Y265 PolarHBondContact O-OH 2.86Å; T257-K359 CarbonylContact O-C 3.39Å; T257-K359 WeakPolarHBondContact O-CG 3.2Å; T257-G360 VanDerWaalsContact O-CA 3.28Å; T257-G360 WeakPolarHBondContact O-CA 3.34Å; T257-G360 PolarHBondContact O-N 3.42Å; T257-L362 HydrophobicContact CG2-CD2 4.4Å
258G98.7Very high98.6Very high1 Ų121.5 Ų21.51%0.0111%0.111CC..SBendtrans1031.4-175.700000115.1G255 A331G255-G258 PolarHBondContact O-N 3.28Å; G258-A331 CarbonylContact C-O 3.32Å; G258-A331 WeakPolarHBondContact CA-O 3.2Å
259R98.7Very high98.6Very high100 Ų10026 Ų2638%0.37713%0.127SC..SBendtrans-139.5162.3175.2-67-64.6-178.9-86.40.9108.9G255 L261 D264 Y265G255-R259 WeakPolarHBondContact CA-O 3.26Å; G255-R259 PolarHBondContact N-O 3.33Å; G255-R259 VanDerWaalsContact N-O 3.16Å; R259-L261 VanDerWaalsContact C-N 3.34Å; R259-L261 VanDerWaalsContact CB-O 3.23Å; R259-L261 WeakPolarHBondContact CB-O 3.42Å; R259-L261 PolarHBondContact O-N 3.42Å; R259-D264 HydrophobicContact CB-CB 4.1Å; R259-D264 HydrophobicContact CG-CB 4.45Å; R259-Y265 HydrophobicContact CB-CD2 4.12Å; R259-Y265 HydrophobicContact CB-CE2 3.89Å; R259-Y265 HydrophobicContact CG-CD1 4.26Å; R259-Y265 HydrophobicContact CG-CD2 3.58Å; R259-Y265 HydrophobicContact CG-CE1 4.04Å; R259-Y265 HydrophobicContact CG-CE2 3.31Å; R259-Y265 HydrophobicContact CG-CG 4.05Å
260R98.5Very high98.6Very high80 Ų8026 Ų2630%0.30213%0.127SC..SBendtrans-57.4-50.2179.6-175.1-177.1-62.5108.13110.4F115 G253 L254 G255 E326F115-R260 HydrophobicContact CD1-CG 4.4Å; F115-R260 HydrophobicContact CE1-CG 3.68Å; F115-R260 HydrophobicContact CZ-CG 4.24Å; G253-R260 CarbonylContact C-O 3.46Å; L254-R260 WeakPolarHBondContact CA-O 3.37Å; L254-R260 PolarHBondContact N-O 2.77Å; G255-R260 PolarHBondContact N-O 2.75Å; R260-E326 IonicContact CZ-OE1 3.93Å; R260-E326 IonicContact CZ-OE2 3.4Å; R260-E326 IonicContact NE-OE1 3.95Å; R260-E326 PolarHBondContact NE-OE1 2.92Å; R260-E326 IonicContact NE-OE2 2.69Å; R260-E326 IonicContact NH2-OE1 2.77Å; R260-E326 PolarHBondContact NH2-OE1 3.5Å; R260-E326 IonicContact NH2-OE2 3.13Å; R260-E326 PolarHBondContact NH2-OE2 3.35Å
261L98.8Very high98.6Very high6 Ų626.9 Ų26.93%0.03113%0.131CC..SBendtrans-115.8146.7165.3-61.2179.8000109.3F115 E249 R259 C263 D264 V273 L275F115-L261 HydrophobicContact CD1-CD1 3.92Å; F115-L261 HydrophobicContact CD1-CD2 4.08Å; F115-L261 HydrophobicContact CD1-CG 4.01Å; F115-L261 HydrophobicContact CE1-CD1 4.35Å; F115-L261 HydrophobicContact CE1-CD2 3.67Å; F115-L261 HydrophobicContact CE1-CG 3.95Å; E249-L261 HydrophobicContact CB-CD2 4.13Å; E249-L261 HydrophobicContact CG-CD2 4.07Å; E249-L261 WeakPolarHBondContact OE1-CB 3.48Å; R259-L261 VanDerWaalsContact C-N 3.34Å; R259-L261 VanDerWaalsContact CB-O 3.23Å; R259-L261 WeakPolarHBondContact CB-O 3.42Å; R259-L261 PolarHBondContact O-N 3.42Å; L261-C263 PolarHBondContact O-N 3.17Å; L261-D264 PolarHBondContact N-OD2 2.95Å; L261-D264 VanDerWaalsContact O-CB 3.27Å; L261-D264 WeakPolarHBondContact O-CB 3.44Å; L261-D264 PolarHBondContact O-N 2.92Å; L261-D264 VanDerWaalsContact O-N 3.13Å; L261-V273 HydrophobicContact CD1-CG2 4.13Å; L261-V273 HydrophobicContact CD2-CG2 4.17Å; L261-L275 HydrophobicContact CD2-CD2 3.88Å
262C98.8Very high98.6Very high2 Ų226.5 Ų26.51%0.01413%0.13CC..G310 helixtrans-63.5-31.6173.5-175.30000111.9P216 E249 T257 D264 Y265P216-C262 HydrophobicContact CB-CB 3.6Å; P216-C262 VanDerWaalsContact CB-SG 3.54Å; P216-C262 HydrophobicContact CG-CB 4.13Å; E249-C262 VanDerWaalsContact CD-N 3.28Å; E249-C262 WeakPolarHBondContact OE1-CA 3.15Å; E249-C262 PolarHBondContact OE1-N 3.08Å; E249-C262 WeakPolarHBondContact OE2-CB 3.35Å; E249-C262 PolarHBondContact OE2-N 3.28Å; E249-C262 VanDerWaalsContact OE2-N 3.09Å; T257-C262 HydrophobicContact CG2-CB 4.08Å; T257-C262 WeakPolarHBondContact OG1-CA 3.5Å; T257-C262 WeakPolarHBondContact OG1-CB 3.39Å; C262-D264 PolarHBondContact O-N 3.24Å; C262-Y265 PolarHBondContact O-N 3.46Å
263C98.8Very high98.6Very high0 Ų026.4 Ų26.40%013%0.129CC..G310 helixtrans-58.2-25.9172.5-76.70000113.8E249 L261 Y265 E266 G267 V268 P270E249-C263 PolarHBondContact OE1-N 3.08Å; L261-C263 PolarHBondContact O-N 3.17Å; C263-Y265 PolarHBondContact O-N 3.02Å; C263-E266 PolarHBondContact O-N 3.45Å; C263-E266 VanDerWaalsContact O-N 3.07Å; C263-G267 PolarHBondContact O-N 3.24Å; C263-V268 HydrophobicContact CB-CB 4.19Å; C263-V268 HydrophobicContact CB-CG1 4.42Å; C263-V268 WeakPolarHBondContact CB-O 3.3Å; C263-V268 PolarHBondContact O-N 2.99Å; C263-P270 HydrophobicContact CB-CG 4.29Å
264D98.5Very high98.7Very high66 Ų6626.3 Ų26.335%0.35313%0.128SC..G310 helixtrans-63.1-25.3-179.7-60.9-21.4000112.4R259 L261 C262 E266 G267R259-D264 HydrophobicContact CB-CB 4.1Å; R259-D264 HydrophobicContact CG-CB 4.45Å; L261-D264 PolarHBondContact N-OD2 2.95Å; L261-D264 VanDerWaalsContact O-CB 3.27Å; L261-D264 WeakPolarHBondContact O-CB 3.44Å; L261-D264 PolarHBondContact O-N 2.92Å; L261-D264 VanDerWaalsContact O-N 3.13Å; C262-D264 PolarHBondContact O-N 3.24Å; D264-E266 PolarHBondContact O-N 2.92Å; D264-G267 PolarHBondContact O-N 3.44Å
265Y98.3Very high98.7Very high63 Ų6326.1 Ų26.125%0.24713%0.127CC..G310 helixtrans-59.9-26.3175.5-85.4-78.5000113.2T257 R259 C262 C263 D335 K359T257-Y265 WeakPolarHBondContact O-CE2 3.45Å; T257-Y265 PolarHBondContact O-OH 2.86Å; R259-Y265 HydrophobicContact CB-CD2 4.12Å; R259-Y265 HydrophobicContact CB-CE2 3.89Å; R259-Y265 HydrophobicContact CG-CD1 4.26Å; R259-Y265 HydrophobicContact CG-CD2 3.58Å; R259-Y265 HydrophobicContact CG-CE1 4.04Å; R259-Y265 HydrophobicContact CG-CE2 3.31Å; R259-Y265 HydrophobicContact CG-CG 4.05Å; C262-Y265 PolarHBondContact O-N 3.46Å; C263-Y265 PolarHBondContact O-N 3.02Å; Y265-D335 PolarHBondContact OH-OD1 2.91Å; Y265-K359 HydrophobicContact CD2-CD 3.84Å; Y265-K359 HydrophobicContact CE2-CD 3.64Å; Y265-K359 HydrophobicContact CE2-CG 4.07Å; Y265-K359 HydrophobicContact CG-CD 4.36Å
266E98.2Very high98.6Very high37 Ų3726.2 Ų26.217%0.17313%0.128CC..G310 helixtrans-117.314.2-177.3-59.4-166.3-175.900112.5G229 Y230 L231 R232 C263 D264 V268G229-E266 WeakPolarHBondContact CA-OE2 3.48Å; G229-E266 PolarHBondContact N-OE1 3.38Å; G229-E266 PolarHBondContact N-OE2 3.32Å; Y230-E266 PolarHBondContact N-OE2 3.35Å; L231-E266 WeakPolarHBondContact CA-OE2 3.29Å; L231-E266 WeakPolarHBondContact CB-OE2 3.15Å; L231-E266 PolarHBondContact N-OE2 3.45Å; R232-E266 HydrophobicContact CB-CB 4.18Å; R232-E266 PolarHBondContact N-OE2 2.91Å; C263-E266 PolarHBondContact O-N 3.45Å; C263-E266 VanDerWaalsContact O-N 3.07Å; D264-E266 PolarHBondContact O-N 2.92Å; E266-V268 HydrophobicContact CB-CG2 4.23Å; E266-V268 PolarHBondContact O-N 3.34Å
267G98Very high98.6Very high57 Ų5729 Ų2959%0.58814%0.14SC*.THydrogen-bonded Turntrans57.834.3179.900000112.8R232 C263 D264R232-G267 PolarHBondContact NH1-O 2.79Å; C263-G267 PolarHBondContact O-N 3.24Å; D264-G267 PolarHBondContact O-N 3.44Å
268V98.6Very high98.6Very high4 Ų429.2 Ų29.22%0.02414%0.142CC..  trans-96.4123.3178.1171.90000108.5L231 R232 F235 F245 C263 E266 P270L231-V268 HydrophobicContact CB-CG2 4.46Å; R232-V268 HydrophobicContact CB-CG2 4.23Å; F235-V268 HydrophobicContact CB-CG1 3.8Å; F235-V268 HydrophobicContact CB-CG2 4.09Å; F235-V268 HydrophobicContact CD2-CG1 3.82Å; F235-V268 HydrophobicContact CG-CG1 3.79Å; F235-V268 HydrophobicContact CG-CG2 4.43Å; F245-V268 HydrophobicContact CD1-CG1 4.27Å; F245-V268 HydrophobicContact CE1-CG1 4.01Å; C263-V268 HydrophobicContact CB-CB 4.19Å; C263-V268 HydrophobicContact CB-CG1 4.42Å; C263-V268 WeakPolarHBondContact CB-O 3.3Å; C263-V268 PolarHBondContact O-N 2.99Å; E266-V268 HydrophobicContact CB-CG2 4.23Å; E266-V268 PolarHBondContact O-N 3.34Å; V268-P270 WeakPolarHBondContact O-CD 3.4Å
269R98.5Very high98.6Very high103 Ų10329.2 Ų29.239%0.38914%0.141SC..  trans-101.3103.7165.6-178.5-178.6176.8-87.38.6107.9G116 Y117 F235 D292G116-R269 PolarHBondContact O-NE 2.94Å; G116-R269 PolarHBondContact O-NH2 3.48Å; Y117-R269 HydrophobicContact CE1-CG 4.49Å; F235-R269 WeakPolarHBondContact CE2-O 3.5Å; R269-D292 IonicContact CZ-OD1 3.52Å; R269-D292 IonicContact CZ-OD2 3.84Å; R269-D292 VanDerWaalsContact CZ-OD2 3.3Å; R269-D292 IonicContact NH1-OD1 2.74Å; R269-D292 IonicContact NH1-OD2 3.76Å; R269-D292 PolarHBondContact NH1-OD2 3.13Å; R269-D292 IonicContact NH2-OD1 2.74Å; R269-D292 PolarHBondContact NH2-OD1 3.38Å; R269-D292 IonicContact NH2-OD2 2.73Å; R269-D292 PolarHBondContact NH2-OD2 3Å
270P98.8Very high98.6Very high1 Ų124.6 Ų24.61%0.00612%0.124CC..  trans-56.3152.9177.5-2534.5000112.5Y117 F245 A247 C263 V268 I272Y117-P270 WeakPolarHBondContact CE1-O 3.24Å; Y117-P270 WeakPolarHBondContact OH-CD 3.42Å; Y117-P270 PolarHBondContact OH-O 2.95Å; Y117-P270 VanDerWaalsContact OH-O 3.13Å; F245-P270 HydrophobicContact CD1-CB 3.99Å; F245-P270 HydrophobicContact CD1-CG 4.32Å; F245-P270 HydrophobicContact CE1-CB 4.48Å; F245-P270 HydrophobicContact CE1-CG 4.36Å; A247-P270 HydrophobicContact CB-CB 3.85Å; A247-P270 HydrophobicContact CB-CG 3.38Å; C263-P270 HydrophobicContact CB-CG 4.29Å; V268-P270 WeakPolarHBondContact O-CD 3.4Å; P270-I272 VanDerWaalsContact C-N 3.28Å; P270-I272 WeakPolarHBondContact CB-O 3.34Å
271D98.9Very high98.5Very high29 Ų2920.8 Ų20.816%0.15511%0.11CC..SBendtrans-70.4-32.7170.4-63.9-66.3000110.9L244 F245 C291 I295L244-D271 WeakPolarHBondContact CA-OD2 3.28Å; L244-D271 HydrophobicContact CB-CB 4.17Å; L244-D271 HydrophobicContact CD2-CB 3.99Å; F245-D271 PolarHBondContact N-OD2 3.44Å; F245-D271 PolarHBondContact O-N 3.06Å; D271-C291 WeakPolarHBondContact O-CB 3.43Å; D271-I295 HydrophobicContact CB-CD1 3.78Å; D271-I295 WeakPolarHBondContact O-CD1 3.32Å
272I99Very high98.5Very high0 Ų022.3 Ų22.30%013%0.127CC..EExtended strand (participates in β ladder)trans-135.2128.7172.4-50.6-177.7000108.5A133 L136 L244 F245 I246 A247 P270 V289 L290 C291 I295A133-I272 HydrophobicContact CB-CG2 3.96Å; L136-I272 HydrophobicContact CB-CD1 4.11Å; L244-I272 HydrophobicContact CD1-CD1 4.3Å; F245-I272 PolarHBondContact O-N 3.35Å; I246-I272 WeakPolarHBondContact CA-O 3.22Å; I246-I272 HydrophobicContact CB-CB 4.4Å; I246-I272 HydrophobicContact CD1-CD1 4.11Å; I246-I272 HydrophobicContact CG1-CB 4.06Å; I246-I272 HydrophobicContact CG1-CD1 4.09Å; I246-I272 HydrophobicContact CG1-CG1 4.3Å; I246-I272 HydrophobicContact CG2-CB 4.12Å; I246-I272 HydrophobicContact CG2-CG2 4.26Å; A247-I272 PolarHBondContact N-O 2.74Å; P270-I272 VanDerWaalsContact C-N 3.28Å; P270-I272 WeakPolarHBondContact CB-O 3.34Å; I272-V289 HydrophobicContact CG2-CG1 3.25Å; I272-L290 WeakPolarHBondContact CA-O 3.45Å; I272-C291 HydrophobicContact CB-CB 4.41Å; I272-C291 HydrophobicContact CG1-CB 3.96Å; I272-I295 HydrophobicContact CD1-CG2 3.77Å; I272-I295 HydrophobicContact CG1-CD1 4.34Å; I272-I295 HydrophobicContact CG1-CG2 4Å
273V98.9Very high98.5Very high0 Ų024.1 Ų24.10%014%0.135CC..EExtended strand (participates in β ladder)trans-111.6134.916962.10000110.2Y117 E249 L261 L275 V289 L290Y117-V273 HydrophobicContact CD2-CG1 4.27Å; Y117-V273 HydrophobicContact CE1-CG1 4.49Å; Y117-V273 HydrophobicContact CE2-CG1 3.54Å; E249-V273 HydrophobicContact CB-CG2 3.98Å; E249-V273 HydrophobicContact CG-CG2 3.93Å; L261-V273 HydrophobicContact CD1-CG2 4.13Å; L261-V273 HydrophobicContact CD2-CG2 4.17Å; V273-L275 HydrophobicContact CG2-CD2 4.02Å; V273-L275 HydrophobicContact CG2-CG 4.41Å; V273-V289 WeakPolarHBondContact O-CA 3.49Å; V273-L290 HydrophobicContact CG1-CB 3.67Å; V273-L290 HydrophobicContact CG1-CD1 3.83Å; V273-L290 HydrophobicContact CG1-CG 4.21Å; V273-L290 PolarHBondContact N-O 3.48Å; V273-L290 PolarHBondContact O-N 3.23Å
274V98.9Very high98.4Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-106.2125.9176.5-167.60000109.6A129 A133 I246 A247 E249 V250A129-V274 HydrophobicContact CB-CG1 3.35Å; A133-V274 HydrophobicContact CB-CG2 3.8Å; I246-V274 HydrophobicContact CG2-CG2 4.01Å; A247-V274 PolarHBondContact O-N 3.35Å; E249-V274 CarbonylContact C-O 3.56Å; E249-V274 WeakPolarHBondContact CA-O 3.3Å; E249-V274 WeakPolarHBondContact CB-O 3.4Å; E249-V274 PolarHBondContact N-O 3.35Å; E249-V274 VanDerWaalsContact N-O 3.08Å; V250-V274 HydrophobicContact CG2-CB 4.22Å; V250-V274 HydrophobicContact CG2-CG1 3.65Å; V250-V274 PolarHBondContact N-O 2.75Å
275L98.9Very high98.4Very high0 Ų027.3 Ų27.30%015%0.152CC..EExtended strand (participates in β ladder)trans-119.8151.8178.1-58.5-179.4000110.6F115 E249 L254 L261 V273 L279 S287 A288 L290F115-L275 HydrophobicContact CD2-CD1 4.24Å; F115-L275 HydrophobicContact CE1-CD1 4.2Å; F115-L275 HydrophobicContact CE2-CD1 3.77Å; F115-L275 HydrophobicContact CZ-CD1 3.75Å; E249-L275 HydrophobicContact CB-CD2 4.03Å; L254-L275 HydrophobicContact CD2-CD1 4.34Å; L254-L275 HydrophobicContact CD2-CD2 4.35Å; L254-L275 HydrophobicContact CG-CD2 4.42Å; L261-L275 HydrophobicContact CD2-CD2 3.88Å; V273-L275 HydrophobicContact CG2-CD2 4.02Å; V273-L275 HydrophobicContact CG2-CG 4.41Å; L275-L279 HydrophobicContact CB-CD2 4.13Å; L275-S287 CarbonylContact O-C 3.38Å; L275-S287 WeakPolarHBondContact O-CA 3.42Å; L275-S287 WeakPolarHBondContact O-CB 3.3Å; L275-A288 PolarHBondContact N-O 2.73Å; L275-A288 PolarHBondContact O-N 2.97Å; L275-L290 HydrophobicContact CD1-CD1 3.58Å; L275-L290 HydrophobicContact CG-CD1 3.95Å
276G98.4Very high98.4Very high1 Ų124.8 Ų24.81%0.0114%0.143CC..  trans-172-150176.800000110.2A278 L279G276-A278 PolarHBondContact O-N 2.72Å; G276-L279 WeakPolarHBondContact O-CB 3.44Å; G276-L279 PolarHBondContact O-N 3.16Å
277K97.8Very high98.4Very high60 Ų6023 Ų2326%0.26114%0.135SC..G310 helixtrans43.4-100.9174.7-70.3-172.2179.187.50112.4Y69 A71 V250 Q251 L279Y69-K277 VanDerWaalsContact O-CD 3.29Å; Y69-K277 WeakPolarHBondContact O-CD 3.27Å; Y69-K277 VanDerWaalsContact O-CE 3.23Å; Y69-K277 WeakPolarHBondContact O-CE 3.33Å; A71-K277 HydrophobicContact CB-CB 3.84Å; A71-K277 HydrophobicContact CB-CG 4.3Å; V250-K277 HydrophobicContact CG1-CB 4.41Å; V250-K277 HydrophobicContact CG1-CD 4.11Å; V250-K277 HydrophobicContact CG1-CG 3.73Å; V250-K277 WeakPolarHBondContact O-CB 3.35Å; V250-K277 WeakPolarHBondContact O-CD 3.41Å; Q251-K277 HydrophobicContact CB-CD 4.37Å; K277-L279 PolarHBondContact O-N 3.31Å
278A98.1Very high98.5Very high4 Ų420.3 Ų20.33%0.03311%0.107CC..G310 helixtrans-65.1-5.8-177.500000115.2A71 N73 Q74 L254 G276 S280 G281A71-A278 WeakPolarHBondContact O-CA 3.47Å; N73-A278 HydrophobicContact CB-CB 3.79Å; N73-A278 VanDerWaalsContact ND2-CB 3.27Å; N73-A278 WeakPolarHBondContact ND2-CB 3.44Å; Q74-A278 PolarHBondContact NE2-O 2.87Å; L254-A278 HydrophobicContact CB-CB 4.23Å; L254-A278 HydrophobicContact CD1-CB 4.04Å; G276-A278 PolarHBondContact O-N 2.72Å; A278-S280 PolarHBondContact O-N 3.31Å; A278-S280 VanDerWaalsContact O-N 3.15Å; A278-G281 PolarHBondContact O-N 2.94Å
279L98.8Very high98.5Very high0 Ų020.1 Ų20.10%011%0.106CC..G310 helixtrans-58.5-26.1177-173.556.7000112.6L254 L275 G276 K277 V286 A288 A318 A321 L322L254-L279 VanDerWaalsContact CD1-CA 3.42Å; L254-L279 HydrophobicContact CD1-CB 3.77Å; L254-L279 HydrophobicContact CD1-CD1 4.31Å; L275-L279 HydrophobicContact CB-CD2 4.13Å; G276-L279 WeakPolarHBondContact O-CB 3.44Å; G276-L279 PolarHBondContact O-N 3.16Å; K277-L279 PolarHBondContact O-N 3.31Å; L279-V286 HydrophobicContact CD2-CG1 3.99Å; L279-V286 HydrophobicContact CG-CG1 4.26Å; L279-A288 HydrophobicContact CD2-CB 4.05Å; L279-A318 HydrophobicContact CG-CB 4.29Å; L279-A318 VanDerWaalsContact O-CA 3.25Å; L279-A318 WeakPolarHBondContact O-CA 3.36Å; L279-A318 WeakPolarHBondContact O-CB 3.43Å; L279-A321 WeakPolarHBondContact O-CB 3.15Å; L279-L322 HydrophobicContact CD1-CD1 3.94Å; L279-L322 HydrophobicContact CD1-CD2 3.98Å; L279-L322 HydrophobicContact CD1-CG 4.05Å
280S98.4Very high98.5Very high3 Ų315.2 Ų15.22%0.0219%0.088CC..G310 helixtrans-107.32.9175.566.40000114.1A278 G282 F283 Y284 I317A278-S280 PolarHBondContact O-N 3.31Å; A278-S280 VanDerWaalsContact O-N 3.15Å; S280-G282 PolarHBondContact O-N 2.89Å; S280-G282 PolarHBondContact OG-N 3.46Å; S280-F283 PolarHBondContact O-N 2.74Å; S280-Y284 WeakPolarHBondContact CB-O 3.36Å; S280-Y284 PolarHBondContact OG-O 3.28Å; S280-I317 WeakPolarHBondContact O-CG2 3.03Å
281G98.2Very high98.5Very high0 Ų015.2 Ų15.20%09%0.087CC..THydrogen-bonded Turntrans55.728.1-16900000114.7A71 A278 F283A71-G281 CarbonylContact O-C 3.51Å; A278-G281 PolarHBondContact O-N 2.94Å; G281-F283 VanDerWaalsContact C-N 3.31Å; G281-F283 WeakPolarHBondContact O-CD2 3.27Å; G281-F283 PolarHBondContact O-N 3.27Å
282G97.7Very high98.5Very high39 Ų3915.6 Ų15.640%0.4029%0.09SC..THydrogen-bonded Turntrans806178.100000115A71 S280A71-G282 PolarHBondContact O-N 2.88Å; S280-G282 PolarHBondContact O-N 2.89Å; S280-G282 PolarHBondContact OG-N 3.46Å
283F98.3Very high98.5Very high40 Ų4018.3 Ų18.318%0.17510%0.104CC..SBendtrans-83.8-28.1-179.7-82.7-101.4000114H78 I81 L82 M85 S280 G281 I317H78-F283 HydrophobicContact CB-CE2 4.4Å; I81-F283 HydrophobicContact CB-CD2 3.84Å; I81-F283 HydrophobicContact CB-CE2 3.65Å; I81-F283 HydrophobicContact CB-CG 4.41Å; I81-F283 HydrophobicContact CB-CZ 4.07Å; I81-F283 HydrophobicContact CD1-CD2 4.39Å; I81-F283 HydrophobicContact CD1-CE2 4.31Å; I81-F283 HydrophobicContact CG2-CB 4.09Å; I81-F283 HydrophobicContact CG2-CD1 4.3Å; I81-F283 HydrophobicContact CG2-CD2 3.38Å; I81-F283 HydrophobicContact CG2-CE2 3.77Å; I81-F283 HydrophobicContact CG2-CG 3.66Å; I81-F283 HydrophobicContact CG2-CZ 4.35Å; L82-F283 VanDerWaalsContact CA-CE1 3.46Å; L82-F283 HydrophobicContact CB-CE1 3.62Å; L82-F283 HydrophobicContact CB-CZ 3.83Å; L82-F283 HydrophobicContact CD1-CE1 3.94Å; L82-F283 HydrophobicContact CG-CE1 4.38Å; M85-F283 HydrophobicContact SD-CD1 3.82Å; S280-F283 PolarHBondContact O-N 2.74Å; G281-F283 VanDerWaalsContact C-N 3.31Å; G281-F283 WeakPolarHBondContact O-CD2 3.27Å; G281-F283 PolarHBondContact O-N 3.27Å; F283-I317 HydrophobicContact CB-CD1 4.47Å; F283-I317 HydrophobicContact CB-CG2 3.85Å
284Y97.9Very high98.5Very high58 Ų5821.7 Ų21.723%0.22713%0.132CC..SBendtrans-155.3150.6-171.3-152.8-106.8000112.6S280 V286 L313 I317S280-Y284 WeakPolarHBondContact CB-O 3.36Å; S280-Y284 PolarHBondContact OG-O 3.28Å; Y284-V286 HydrophobicContact CD1-CG2 4.05Å; Y284-V286 PolarHBondContact O-N 3.22Å; Y284-V286 VanDerWaalsContact O-N 3.08Å; Y284-L313 HydrophobicContact CD2-CD2 4.21Å; Y284-L313 HydrophobicContact CE2-CD2 3.69Å; Y284-L313 HydrophobicContact CE2-CG 4.42Å; Y284-I317 HydrophobicContact CD2-CD1 4.26Å; Y284-I317 HydrophobicContact CG-CD1 4Å
285P98Very high98.4Very high75 Ų7522 Ų2249%0.48713%0.134SC..  trans-66107171.2-19.332.9000110.7N124N124-P285 HydrophobicContact CB-CB 4.26Å; N124-P285 CarbonylContact O-C 3.47Å; N124-P285 WeakPolarHBondContact O-CA 3.44Å; N124-P285 WeakPolarHBondContact O-CB 3.13Å
286V98.4Very high98.4Very high10 Ų1022.8 Ų22.86%0.06114%0.137CC..  trans-142.1132.5175.3-171.10000109.3N124 L279 Y284 A318N124-V286 PolarHBondContact O-N 3Å; L279-V286 HydrophobicContact CD2-CG1 3.99Å; L279-V286 HydrophobicContact CG-CG1 4.26Å; Y284-V286 HydrophobicContact CD1-CG2 4.05Å; Y284-V286 PolarHBondContact O-N 3.22Å; Y284-V286 VanDerWaalsContact O-N 3.08Å; V286-A318 HydrophobicContact CG1-CB 4.1Å
287S98.7Very high98.4Very high0 Ų026.7 Ų26.70%016%0.157CC..EExtended strand (participates in β ladder)trans-143.6167.6171.154.40000110.2T123 N124 T125 L275T123-S287 CarbonylContact C-O 3.59Å; T123-S287 WeakPolarHBondContact CB-OG 3.36Å; T123-S287 PolarHBondContact N-O 3.29Å; T123-S287 PolarHBondContact O-N 2.86Å; T123-S287 PolarHBondContact O-OG 2.75Å; T123-S287 PolarHBondContact OG1-O 2.86Å; T123-S287 PolarHBondContact OG1-OG 3.18Å; N124-S287 VanDerWaalsContact C-OG 3.26Å; N124-S287 PolarHBondContact N-OG 2.95Å; T125-S287 PolarHBondContact N-OG 3.49Å; T125-S287 PolarHBondContact O-OG 3.31Å; L275-S287 CarbonylContact O-C 3.38Å; L275-S287 WeakPolarHBondContact O-CA 3.42Å; L275-S287 WeakPolarHBondContact O-CB 3.3Å
288A98.7Very high98.4Very high0 Ų024.3 Ų24.30%015%0.148CC..EExtended strand (participates in β ladder)trans-154.2153.3-17800000111.5L120 L121 L275 L279 L290L120-A288 HydrophobicContact CD1-CB 3.6Å; L120-A288 HydrophobicContact CD2-CB 4.37Å; L120-A288 HydrophobicContact CG-CB 3.91Å; L121-A288 WeakPolarHBondContact O-CA 3.15Å; L275-A288 PolarHBondContact N-O 2.73Å; L275-A288 PolarHBondContact O-N 2.97Å; L279-A288 HydrophobicContact CD2-CB 4.05Å; A288-L290 HydrophobicContact CB-CD1 4.32Å
289V98.8Very high98.3Very high0 Ų025.7 Ų25.70%016%0.155CC..EExtended strand (participates in β ladder)trans-114.7131.2164.6-176.40000108L120 L121 A129 T132 A133 L136 I272 V273 M296L120-V289 CarbonylContact C-O 3.41Å; L120-V289 WeakPolarHBondContact CA-O 3.39Å; L121-V289 PolarHBondContact N-O 3.16Å; L121-V289 PolarHBondContact O-N 2.65Å; A129-V289 HydrophobicContact CB-CG2 3.94Å; A129-V289 WeakPolarHBondContact O-CG2 3.32Å; T132-V289 HydrophobicContact CG2-CG2 4.01Å; A133-V289 HydrophobicContact CB-CG1 4.4Å; L136-V289 HydrophobicContact CD1-CG1 3.78Å; I272-V289 HydrophobicContact CG2-CG1 3.25Å; V273-V289 WeakPolarHBondContact O-CA 3.49Å; V289-M296 WeakPolarHBondContact O-CE 3.29Å
290L98.9Very high98.2Very high0 Ų031 Ų310%018%0.177CC..EExtended strand (participates in β ladder)trans-117.7136.5173.3-54.882.4000109.7V111 F115 Y117 K119 L120 I272 V273 L275 A288V111-L290 HydrophobicContact CG1-CD2 3.81Å; F115-L290 HydrophobicContact CB-CD2 3.76Å; F115-L290 HydrophobicContact CD2-CD2 4.01Å; F115-L290 HydrophobicContact CG-CD2 4.14Å; Y117-L290 HydrophobicContact CD1-CB 4.43Å; Y117-L290 HydrophobicContact CD2-CB 3.82Å; Y117-L290 HydrophobicContact CD2-CD2 3.85Å; Y117-L290 HydrophobicContact CE2-CB 4.36Å; Y117-L290 HydrophobicContact CG-CB 3.86Å; Y117-L290 HydrophobicContact CG-CD2 4.44Å; K119-L290 WeakPolarHBondContact O-CA 3.44Å; L120-L290 HydrophobicContact CB-CG 4.33Å; L120-L290 HydrophobicContact CD1-CD1 4.32Å; L120-L290 HydrophobicContact CD1-CG 4.17Å; L120-L290 HydrophobicContact CG-CG 4.46Å; I272-L290 WeakPolarHBondContact CA-O 3.45Å; V273-L290 HydrophobicContact CG1-CB 3.67Å; V273-L290 HydrophobicContact CG1-CD1 3.83Å; V273-L290 HydrophobicContact CG1-CG 4.21Å; V273-L290 PolarHBondContact N-O 3.48Å; V273-L290 PolarHBondContact O-N 3.23Å; L275-L290 HydrophobicContact CD1-CD1 3.58Å; L275-L290 HydrophobicContact CG-CD1 3.95Å; A288-L290 HydrophobicContact CB-CD1 4.32Å
291C98.8Very high98Very high0 Ų037.2 Ų37.20%022%0.218CC..EExtended strand (participates in β ladder)trans-162.5171.1171.558.40000110.3K119 D271 I272 I295 M296K119-C291 PolarHBondContact N-O 2.9Å; K119-C291 PolarHBondContact O-N 3.16Å; D271-C291 WeakPolarHBondContact O-CB 3.43Å; I272-C291 HydrophobicContact CB-CB 4.41Å; I272-C291 HydrophobicContact CG1-CB 3.96Å; C291-I295 HydrophobicContact CB-CB 4.07Å; C291-I295 HydrophobicContact CB-CD1 4.31Å; C291-I295 HydrophobicContact CB-CG2 4.13Å; C291-M296 WeakPolarHBondContact SG-CE 3.42Å
292D98.8Very high97.7Very high38 Ų3841.3 Ų41.320%0.20326%0.26CS..  trans-78.4165.2178.8-63.5-29.5000112.4D118 R269 A294 I295 M296D118-D292 PolarHBondContact N-OD1 3.23Å; D118-D292 WeakPolarHBondContact OD2-CA 3.34Å; D118-D292 WeakPolarHBondContact OD2-CB 3.35Å; R269-D292 IonicContact CZ-OD1 3.52Å; R269-D292 IonicContact CZ-OD2 3.84Å; R269-D292 VanDerWaalsContact CZ-OD2 3.3Å; R269-D292 IonicContact NH1-OD1 2.74Å; R269-D292 IonicContact NH1-OD2 3.76Å; R269-D292 PolarHBondContact NH1-OD2 3.13Å; R269-D292 IonicContact NH2-OD1 2.74Å; R269-D292 PolarHBondContact NH2-OD1 3.38Å; R269-D292 IonicContact NH2-OD2 2.73Å; R269-D292 PolarHBondContact NH2-OD2 3Å; D292-A294 PolarHBondContact O-N 3.34Å; D292-A294 VanDerWaalsContact O-N 3.16Å; D292-I295 PolarHBondContact O-N 3.2Å; D292-M296 PolarHBondContact O-N 3.3Å
293D98.7Very high97.6Very high56 Ų5643.6 Ų43.630%0.29926%0.26SS..Hα-helixtrans-56.5-36.6-173.4-86.8-8.6000113.4D118 K119 I295 L297D118-D293 HydrophobicContact CB-CB 4.45Å; D118-D293 PolarHBondContact OD2-N 3.19Å; K119-D293 WeakPolarHBondContact CE-OD1 3.09Å; K119-D293 WeakPolarHBondContact CG-OD1 3.34Å; K119-D293 IonicContact NZ-OD1 3.02Å; K119-D293 PolarHBondContact NZ-OD1 3.34Å; K119-D293 IonicContact NZ-OD2 3.43Å; K119-D293 PolarHBondContact NZ-OD2 3.23Å; D293-I295 PolarHBondContact O-N 3.28Å; D293-I295 VanDerWaalsContact O-N 3.13Å; D293-L297 HydrophobicContact CB-CD1 3.78Å; D293-L297 HydrophobicContact CB-CG 4.17Å; D293-L297 VanDerWaalsContact O-CB 3.28Å; D293-L297 WeakPolarHBondContact O-CB 3.14Å; D293-L297 WeakPolarHBondContact O-CG 3.18Å; D293-L297 PolarHBondContact O-N 3.07Å
294A98.3Very high97.4Very high71 Ų7143.8 Ų43.859%0.58726%0.262SS*.Hα-helixtrans-59.5-2417800000113.3D292D292-A294 PolarHBondContact O-N 3.34Å; D292-A294 VanDerWaalsContact O-N 3.16Å
295I98.8Very high97.1Very high8 Ų843.9 Ų43.94%0.04128%0.281CS..Hα-helixtrans-104.2-47178.5-58.5166000110.2L136 L244 D271 I272 C291 D292 D293 L297 V298L136-I295 HydrophobicContact CB-CG2 4.28Å; L136-I295 WeakPolarHBondContact CD2-O 3.3Å; L244-I295 HydrophobicContact CD1-CD1 4.29Å; L244-I295 HydrophobicContact CD1-CG1 4.36Å; L244-I295 HydrophobicContact CD1-CG2 4.25Å; L244-I295 HydrophobicContact CD2-CD1 3.73Å; L244-I295 HydrophobicContact CD2-CG1 4.15Å; D271-I295 HydrophobicContact CB-CD1 3.78Å; D271-I295 WeakPolarHBondContact O-CD1 3.32Å; I272-I295 HydrophobicContact CD1-CG2 3.77Å; I272-I295 HydrophobicContact CG1-CD1 4.34Å; I272-I295 HydrophobicContact CG1-CG2 4Å; C291-I295 HydrophobicContact CB-CB 4.07Å; C291-I295 HydrophobicContact CB-CD1 4.31Å; C291-I295 HydrophobicContact CB-CG2 4.13Å; D292-I295 PolarHBondContact O-N 3.2Å; D293-I295 PolarHBondContact O-N 3.28Å; D293-I295 VanDerWaalsContact O-N 3.13Å; I295-L297 PolarHBondContact O-N 3.42Å; I295-V298 WeakPolarHBondContact O-CG2 3.37Å
296M98.7Very high96.9Very high15 Ų1541.3 Ų41.37%0.07427%0.265CS..Hα-helixtrans-66.3-42.6-174-167.567.178.500112.2K119 L121 L136 V289 C291 D292 V298 I299K119-M296 HydrophobicContact CB-CB 3.85Å; K119-M296 HydrophobicContact CB-CE 3.91Å; K119-M296 HydrophobicContact CB-CG 3.61Å; K119-M296 HydrophobicContact CG-CB 4.05Å; K119-M296 HydrophobicContact CG-CG 4.01Å; L121-M296 HydrophobicContact CB-CE 3.91Å; L121-M296 HydrophobicContact CB-SD 3.85Å; L136-M296 HydrophobicContact CD1-SD 4.06Å; L136-M296 HydrophobicContact CD2-SD 4.18Å; V289-M296 WeakPolarHBondContact O-CE 3.29Å; C291-M296 WeakPolarHBondContact SG-CE 3.42Å; D292-M296 PolarHBondContact O-N 3.3Å; M296-V298 PolarHBondContact O-N 3.24Å; M296-V298 VanDerWaalsContact O-N 3.1Å; M296-I299 PolarHBondContact O-N 3Å
297L98Very high96.6Very high83 Ų8346.5 Ų46.544%0.43530%0.296SS..THydrogen-bonded Turntrans-76.62.1-170.2-59.4-178000113.9D293 I295 I299 K300D293-L297 HydrophobicContact CB-CD1 3.78Å; D293-L297 HydrophobicContact CB-CG 4.17Å; D293-L297 VanDerWaalsContact O-CB 3.28Å; D293-L297 WeakPolarHBondContact O-CB 3.14Å; D293-L297 WeakPolarHBondContact O-CG 3.18Å; D293-L297 PolarHBondContact O-N 3.07Å; I295-L297 PolarHBondContact O-N 3.42Å; L297-I299 VanDerWaalsContact C-N 3.25Å; L297-K300 VanDerWaalsContact O-CE 3.24Å; L297-K300 WeakPolarHBondContact O-CE 3.41Å; L297-K300 PolarHBondContact O-NZ 3.38Å
298V98.2Very high96.5Very high10 Ų1052 Ų526%0.06132%0.318CS..THydrogen-bonded Turntrans-70.8-23.8171.5-52.30000112L136 R139 W140 V144 I295 M296L136-V298 HydrophobicContact CD2-CG2 4.15Å; R139-V298 HydrophobicContact CB-CB 4.45Å; R139-V298 HydrophobicContact CB-CG2 3.71Å; R139-V298 HydrophobicContact CG-CB 3.76Å; R139-V298 HydrophobicContact CG-CG2 3.47Å; R139-V298 VanDerWaalsContact CG-CG2 3.47Å; R139-V298 PolarHBondContact NE-O 3.4Å; W140-V298 HydrophobicContact CB-CG1 4.37Å; V144-V298 HydrophobicContact CG2-CG1 4.1Å; I295-V298 WeakPolarHBondContact O-CG2 3.37Å; M296-V298 PolarHBondContact O-N 3.24Å; M296-V298 VanDerWaalsContact O-N 3.1Å
299I96Very high96.4Very high34 Ų3452.2 Ų52.217%0.17432%0.32CS..SBendtrans-85.3128.4171.5-68.5-179.4000109L136 M296 L297 Q303 H304L136-I299 HydrophobicContact CD2-CD1 3.45Å; L136-I299 VanDerWaalsContact CD2-CD1 3.45Å; L136-I299 HydrophobicContact CD2-CG1 3.78Å; L136-I299 HydrophobicContact CG-CD1 3.74Å; M296-I299 PolarHBondContact O-N 3Å; L297-I299 VanDerWaalsContact C-N 3.25Å; I299-Q303 HydrophobicContact CG2-CB 4.34Å; I299-H304 HydrophobicContact CD1-CB 4.24Å; I299-H304 HydrophobicContact CG2-CB 3.64Å
300K95.8Very high96.3Very high110 Ų11052.6 Ų52.648%0.47832%0.324SS..  trans-109162.3-179.6-54.3-55.6-175-173.30111.7L297 G302 Q303L297-K300 VanDerWaalsContact O-CE 3.24Å; L297-K300 WeakPolarHBondContact O-CE 3.41Å; L297-K300 PolarHBondContact O-NZ 3.38Å; K300-G302 PolarHBondContact O-N 2.66Å; K300-Q303 HydrophobicContact CB-CG 4.49Å; K300-Q303 WeakPolarHBondContact O-CB 3.1Å; K300-Q303 WeakPolarHBondContact O-CG 3.49Å; K300-Q303 PolarHBondContact O-N 2.91Å; K300-Q303 VanDerWaalsContact O-N 3.13Å
301P94.3Very high96.3Very high134 Ų13452.8 Ų52.887%0.8733%0.325SS*.THydrogen-bonded Turntrans-48.3132.5176.8-29.736.6000112.7
302G92.5Very high96.3Very high86 Ų8652.8 Ų52.889%0.88733%0.325SS*.THydrogen-bonded Turntrans87.3-8.3-179.300000116.3K300K300-G302 PolarHBondContact O-N 2.66Å
303Q95Very high96.3Very high87 Ų8751.4 Ų51.441%0.40732%0.318SS..SBendtrans-94.1-15.9-176.9-60.8178.3-16.800114.4K135 I299 K300K135-Q303 PolarHBondContact NZ-O 3.24Å; I299-Q303 HydrophobicContact CG2-CB 4.34Å; K300-Q303 HydrophobicContact CB-CG 4.49Å; K300-Q303 WeakPolarHBondContact O-CB 3.1Å; K300-Q303 WeakPolarHBondContact O-CG 3.49Å; K300-Q303 PolarHBondContact O-N 2.91Å; K300-Q303 VanDerWaalsContact O-N 3.13Å
304H94.2Very high96.2Very high44 Ų4448.9 Ų48.920%0.20430%0.304CS..  trans-146.1144178.6-169.193.2000108.6T132 K135 I299T132-H304 PolarHBondContact OG1-CE1 2.83Å; T132-H304 PolarHBondContact OG1-NE2 3.09Å; K135-H304 PolarHBondContact NZ-ND1 2.86Å; I299-H304 HydrophobicContact CD1-CB 4.24Å; I299-H304 HydrophobicContact CG2-CB 3.64Å
305G91Very high96.3Very high61 Ų6145.6 Ų45.663%0.62928%0.277SS*.  trans-165.1157.1-179.600000111.2
306S93.4Very high96.3Very high21 Ų2147.8 Ų47.815%0.14729%0.286CS..  trans-146.9124.9179.6-178.60000107.8N124 E128 Y308 G309N124-S306 PolarHBondContact ND2-OG 3.39Å; E128-S306 WeakPolarHBondContact OE1-CB 3.23Å; E128-S306 PolarHBondContact OE1-OG 2.75Å; S306-Y308 VanDerWaalsContact C-N 3.28Å; S306-Y308 PolarHBondContact O-N 3.35Å; S306-G309 PolarHBondContact O-N 2.85Å; S306-G309 WeakPolarHBondContact OG-CA 3.42Å; S306-G309 PolarHBondContact OG-N 3.09Å; S306-G309 VanDerWaalsContact OG-N 3.11Å
307T94.1Very high96.3Very high118 Ų11847.1 Ų47.172%0.72428%0.283SS*.SBendtrans-58.9-41.3-173.9-570000112.3
308Y96.2Very high96.3Very high116 Ų11643.1 Ų43.146%0.45526%0.262SS..SBendtrans-107.8-5.2-179.8-69.6-93.6000112.5L94 N124 S306 G310 N311L94-Y308 HydrophobicContact CD1-CD1 3.95Å; L94-Y308 HydrophobicContact CD1-CE1 4.4Å; L94-Y308 HydrophobicContact CD2-CD1 4.16Å; L94-Y308 HydrophobicContact CD2-CE1 3.76Å; N124-Y308 WeakPolarHBondContact OD1-CB 3.27Å; N124-Y308 PolarHBondContact OD1-O 2.98Å; S306-Y308 VanDerWaalsContact C-N 3.28Å; S306-Y308 PolarHBondContact O-N 3.35Å; Y308-G310 PolarHBondContact O-N 3.2Å; Y308-G310 VanDerWaalsContact O-N 3.16Å; Y308-N311 WeakPolarHBondContact O-CB 3.13Å; Y308-N311 PolarHBondContact O-N 3.01Å; Y308-N311 PolarHBondContact O-ND2 3.43Å
309G96.4Very high96.3Very high4 Ų443 Ų434%0.04126%0.261CS..THydrogen-bonded Turntrans-60.3119.7-176.900000111.9N124 S306N124-G309 PolarHBondContact OD1-N 2.81Å; S306-G309 PolarHBondContact O-N 2.85Å; S306-G309 WeakPolarHBondContact OG-CA 3.42Å; S306-G309 PolarHBondContact OG-N 3.09Å; S306-G309 VanDerWaalsContact OG-N 3.11Å
310G97.1Very high96.5Very high8 Ų841.8 Ų41.88%0.08226%0.256CS..THydrogen-bonded Turntrans71.230.4-178.700000113.9P122 Y308P122-G310 VanDerWaalsContact CG-CA 3.43Å; Y308-G310 PolarHBondContact O-N 3.2Å; Y308-G310 VanDerWaalsContact O-N 3.16Å
311N97.9Very high96.6Very high5 Ų536.5 Ų36.53%0.02723%0.233CC..  trans-66.7148.9170.271.890.8000111.2V93 L94 Y308 L313 G314 C315V93-N311 PolarHBondContact O-OD1 2.88Å; L94-N311 HydrophobicContact CD1-CB 3.68Å; Y308-N311 WeakPolarHBondContact O-CB 3.13Å; Y308-N311 PolarHBondContact O-N 3.01Å; Y308-N311 PolarHBondContact O-ND2 3.43Å; N311-L313 VanDerWaalsContact C-N 3.31Å; N311-L313 PolarHBondContact O-N 3.02Å; N311-L313 WeakPolarHBondContact OD1-CB 3.25Å; N311-L313 PolarHBondContact OD1-N 3.46Å; N311-G314 PolarHBondContact O-N 2.87Å; N311-G314 PolarHBondContact OD1-N 3.45Å; N311-C315 PolarHBondContact O-N 3.34Å; N311-C315 PolarHBondContact O-SG 2.59Å
312P98.4Very high96.8Very high0 Ų030.2 Ų30.20%019%0.192CC..Hα-helixtrans-58.4-37-174.9-26.335.4000114.6L92 V103 C315 K316L92-P312 HydrophobicContact CD2-CG 4.06Å; L92-P312 HydrophobicContact CG-CG 4.19Å; L92-P312 WeakPolarHBondContact O-CB 3.43Å; V103-P312 HydrophobicContact CB-CB 4.4Å; V103-P312 HydrophobicContact CG2-CB 4.18Å; P312-C315 PolarHBondContact O-N 3.24Å; P312-K316 PolarHBondContact O-N 2.92Å
313L98.6Very high97.1Very high9 Ų928.7 Ų28.75%0.04716%0.162CC..Hα-helixtrans-63-51.1176.6-178.761.7000111.7M85 Q88 A89 V93 Y284 N311 C315 K316 I317M85-L313 HydrophobicContact CG-CD1 4.16Å; M85-L313 WeakPolarHBondContact O-CD1 3.41Å; Q88-L313 HydrophobicContact CB-CD1 3.99Å; Q88-L313 HydrophobicContact CG-CB 4.41Å; Q88-L313 HydrophobicContact CG-CD1 4.21Å; A89-L313 HydrophobicContact CB-CD1 4.36Å; V93-L313 HydrophobicContact CB-CD2 4.44Å; V93-L313 HydrophobicContact CG1-CD2 4.34Å; V93-L313 WeakPolarHBondContact O-CB 3.44Å; V93-L313 PolarHBondContact O-N 3.19Å; Y284-L313 HydrophobicContact CD2-CD2 4.21Å; Y284-L313 HydrophobicContact CE2-CD2 3.69Å; Y284-L313 HydrophobicContact CE2-CG 4.42Å; N311-L313 VanDerWaalsContact C-N 3.31Å; N311-L313 PolarHBondContact O-N 3.02Å; N311-L313 WeakPolarHBondContact OD1-CB 3.25Å; N311-L313 PolarHBondContact OD1-N 3.46Å; L313-C315 VanDerWaalsContact C-N 3.3Å; L313-C315 PolarHBondContact O-N 3.07Å; L313-K316 PolarHBondContact O-N 3.09Å; L313-I317 HydrophobicContact CD1-CD1 3.84Å; L313-I317 HydrophobicContact CD1-CG1 4.33Å; L313-I317 HydrophobicContact CG-CD1 3.81Å; L313-I317 WeakPolarHBondContact O-CB 3.33Å; L313-I317 VanDerWaalsContact O-CG1 3.26Å; L313-I317 WeakPolarHBondContact O-CG1 3.48Å; L313-I317 PolarHBondContact O-N 2.97Å
314G98.5Very high97.3Very high2 Ų224.6 Ų24.62%0.02114%0.143CC..Hα-helixtrans-58.5-40.6175.800000112.4N311 I317 A318N311-G314 PolarHBondContact O-N 2.87Å; N311-G314 PolarHBondContact OD1-N 3.45Å; G314-I317 PolarHBondContact O-N 2.81Å; G314-A318 VanDerWaalsContact O-CB 3.3Å; G314-A318 WeakPolarHBondContact O-CB 3.44Å; G314-A318 PolarHBondContact O-N 3.2Å
315C98.7Very high97.5Very high2 Ų222.6 Ų22.61%0.01413%0.134CC..Hα-helixtrans-61.4-51.1176.6-700000112.5V103 Y107 N311 P312 L313 I317 A318 L319V103-C315 HydrophobicContact CB-CB 4.37Å; V103-C315 HydrophobicContact CG1-CB 3.7Å; Y107-C315 HydrophobicContact CD1-CB 4.3Å; Y107-C315 VanDerWaalsContact CD1-SG 3.58Å; Y107-C315 HydrophobicContact CG-CB 3.98Å; N311-C315 PolarHBondContact O-N 3.34Å; N311-C315 PolarHBondContact O-SG 2.59Å; P312-C315 PolarHBondContact O-N 3.24Å; L313-C315 VanDerWaalsContact C-N 3.3Å; L313-C315 PolarHBondContact O-N 3.07Å; C315-I317 PolarHBondContact O-N 3.02Å; C315-A318 PolarHBondContact O-N 3.27Å; C315-L319 WeakPolarHBondContact O-CG 3.48Å; C315-L319 PolarHBondContact O-N 2.87Å
316K98.8Very high97.9Very high55 Ų5522.1 Ų22.124%0.23912%0.115CC..Hα-helixtrans-64.4-38.6177.4-79-45.7-171.3-174.10112.9Q88 V103 E106 P312 L313 L319 A320Q88-K316 HydrophobicContact CB-CB 3.95Å; Q88-K316 HydrophobicContact CB-CG 3.95Å; Q88-K316 HydrophobicContact CG-CB 4.02Å; Q88-K316 HydrophobicContact CG-CG 3.8Å; V103-K316 HydrophobicContact CG1-CD 3.45Å; V103-K316 VanDerWaalsContact CG1-CD 3.45Å; V103-K316 HydrophobicContact CG1-CG 3.69Å; V103-K316 HydrophobicContact CG2-CD 4.48Å; V103-K316 HydrophobicContact CG2-CG 4.36Å; E106-K316 IonicContact OE1-NZ 3.76Å; E106-K316 PolarHBondContact OE1-NZ 2.93Å; E106-K316 IonicContact OE2-NZ 2.74Å; E106-K316 PolarHBondContact OE2-NZ 2.95Å; P312-K316 PolarHBondContact O-N 2.92Å; L313-K316 PolarHBondContact O-N 3.09Å; K316-L319 HydrophobicContact CD-CD1 4.17Å; K316-A320 WeakPolarHBondContact O-CB 3.29Å; K316-A320 PolarHBondContact O-N 3.23Å
317I98.9Very high98.2Very high0 Ų027.8 Ų27.80%014%0.137CC..Hα-helixtrans-62.7-45.3176.6-71.5172000110.5I81 M85 S280 F283 Y284 L313 G314 C315 A320 A321I81-I317 HydrophobicContact CG2-CG2 3.89Å; M85-I317 HydrophobicContact CB-CD1 3.84Å; M85-I317 HydrophobicContact CB-CG1 3.92Å; M85-I317 HydrophobicContact CG-CD1 3.84Å; M85-I317 HydrophobicContact CG-CG1 4.46Å; M85-I317 HydrophobicContact SD-CD1 4.37Å; S280-I317 WeakPolarHBondContact O-CG2 3.03Å; F283-I317 HydrophobicContact CB-CD1 4.47Å; F283-I317 HydrophobicContact CB-CG2 3.85Å; Y284-I317 HydrophobicContact CD2-CD1 4.26Å; Y284-I317 HydrophobicContact CG-CD1 4Å; L313-I317 HydrophobicContact CD1-CD1 3.84Å; L313-I317 HydrophobicContact CD1-CG1 4.33Å; L313-I317 HydrophobicContact CG-CD1 3.81Å; L313-I317 WeakPolarHBondContact O-CB 3.33Å; L313-I317 VanDerWaalsContact O-CG1 3.26Å; L313-I317 WeakPolarHBondContact O-CG1 3.48Å; L313-I317 PolarHBondContact O-N 2.97Å; G314-I317 PolarHBondContact O-N 2.81Å; C315-I317 PolarHBondContact O-N 3.02Å; I317-A320 PolarHBondContact O-N 3.38Å; I317-A321 WeakPolarHBondContact O-CB 3.47Å; I317-A321 PolarHBondContact O-N 3.49Å
318A98.9Very high98.4Very high0 Ų026.1 Ų26.10%012%0.121CC..Hα-helixtrans-67.8-40.3-179.800000112.8Y107 L279 V286 G314 C315 A321 L322Y107-A318 HydrophobicContact CD2-CB 4.14Å; Y107-A318 HydrophobicContact CE2-CB 3.46Å; Y107-A318 VanDerWaalsContact CE2-CB 3.46Å; L279-A318 HydrophobicContact CG-CB 4.29Å; L279-A318 VanDerWaalsContact O-CA 3.25Å; L279-A318 WeakPolarHBondContact O-CA 3.36Å; L279-A318 WeakPolarHBondContact O-CB 3.43Å; V286-A318 HydrophobicContact CG1-CB 4.1Å; G314-A318 VanDerWaalsContact O-CB 3.3Å; G314-A318 WeakPolarHBondContact O-CB 3.44Å; G314-A318 PolarHBondContact O-N 3.2Å; C315-A318 PolarHBondContact O-N 3.27Å; A318-A321 PolarHBondContact O-N 2.82Å; A318-L322 WeakPolarHBondContact O-CB 3.46Å; A318-L322 WeakPolarHBondContact O-CG 3.46Å; A318-L322 PolarHBondContact O-N 2.83Å
319L98.9Very high98.5Very high7 Ų725.7 Ų25.74%0.03712%0.123CC..Hα-helixtrans-55.5-51.9170.7-76.3171.3000111.1V103 E106 Y107 Y110 C315 K316 A321 L322 E323V103-L319 HydrophobicContact CG1-CD1 4.48Å; E106-L319 HydrophobicContact CG-CD1 3.99Å; E106-L319 WeakPolarHBondContact OE1-CD1 3.48Å; Y107-L319 HydrophobicContact CD2-CD2 4.25Å; Y107-L319 HydrophobicContact CD2-CG 4.05Å; Y110-L319 VanDerWaalsContact CB-CD2 3.44Å; Y110-L319 HydrophobicContact CD1-CD2 3.63Å; Y110-L319 HydrophobicContact CD2-CD2 4.2Å; Y110-L319 HydrophobicContact CE1-CD2 4.45Å; Y110-L319 HydrophobicContact CG-CD2 3.48Å; Y110-L319 VanDerWaalsContact CG-CD2 3.48Å; C315-L319 WeakPolarHBondContact O-CG 3.48Å; C315-L319 PolarHBondContact O-N 2.87Å; K316-L319 HydrophobicContact CD-CD1 4.17Å; L319-A321 VanDerWaalsContact C-N 3.33Å; L319-A321 PolarHBondContact O-N 2.83Å; L319-L322 PolarHBondContact O-N 2.98Å; L319-E323 WeakPolarHBondContact O-CG 3.49Å; L319-E323 PolarHBondContact O-N 3.17Å
320A98.9Very high98.6Very high8 Ų825.7 Ų25.77%0.06612%0.122CC..Hα-helixtrans-61.1-40.9179.400000112.4I81 A84 K316 I317 E323 V324I81-A320 HydrophobicContact CG1-CB 4.39Å; A84-A320 HydrophobicContact CB-CB 3.54Å; K316-A320 WeakPolarHBondContact O-CB 3.29Å; K316-A320 PolarHBondContact O-N 3.23Å; I317-A320 PolarHBondContact O-N 3.38Å; A320-E323 PolarHBondContact O-N 2.92Å; A320-V324 VanDerWaalsContact O-CG2 3.27Å; A320-V324 WeakPolarHBondContact O-CG2 3.16Å; A320-V324 PolarHBondContact O-N 3.3Å
321A98.9Very high98.7Very high0 Ų025.8 Ų25.80%012%0.122CC..Hα-helixtrans-66-40.9179.100000112.9Q74 I81 L279 I317 A318 L319 L325Q74-A321 PolarHBondContact NE2-O 2.7Å; I81-A321 HydrophobicContact CD1-CB 3.82Å; I81-A321 HydrophobicContact CG1-CB 4.4Å; L279-A321 WeakPolarHBondContact O-CB 3.15Å; I317-A321 WeakPolarHBondContact O-CB 3.47Å; I317-A321 PolarHBondContact O-N 3.49Å; A318-A321 PolarHBondContact O-N 2.82Å; L319-A321 VanDerWaalsContact C-N 3.33Å; L319-A321 PolarHBondContact O-N 2.83Å; A321-L325 WeakPolarHBondContact O-CB 3.38Å; A321-L325 PolarHBondContact O-N 3.48Å
322L98.9Very high98.7Very high1 Ų130.7 Ų30.71%0.00515%0.145CC..Hα-helixtrans-69.6-40175.2-70.3169.4000111.6Y110 V111 L114 F115 L254 L279 A318 L319 V324 L325 E326Y110-L322 HydrophobicContact CD1-CD1 4.2Å; Y110-L322 HydrophobicContact CE1-CB 3.75Å; Y110-L322 HydrophobicContact CE1-CD1 4.03Å; V111-L322 HydrophobicContact CG2-CD1 3.56Å; L114-L322 HydrophobicContact CD2-CB 4.38Å; L114-L322 HydrophobicContact CD2-CD1 4.46Å; L114-L322 HydrophobicContact CD2-CD2 4.22Å; F115-L322 HydrophobicContact CE2-CD2 4.3Å; F115-L322 HydrophobicContact CZ-CD2 4.33Å; L254-L322 HydrophobicContact CD2-CD2 3.76Å; L279-L322 HydrophobicContact CD1-CD1 3.94Å; L279-L322 HydrophobicContact CD1-CD2 3.98Å; L279-L322 HydrophobicContact CD1-CG 4.05Å; A318-L322 WeakPolarHBondContact O-CB 3.46Å; A318-L322 WeakPolarHBondContact O-CG 3.46Å; A318-L322 PolarHBondContact O-N 2.83Å; L319-L322 PolarHBondContact O-N 2.98Å; L322-V324 VanDerWaalsContact C-N 3.32Å; L322-V324 PolarHBondContact O-N 3.19Å; L322-L325 WeakPolarHBondContact O-CB 3.26Å; L322-L325 PolarHBondContact O-N 3.19Å; L322-E326 WeakPolarHBondContact O-CG 3.25Å; L322-E326 PolarHBondContact O-N 3.06Å
323E98.8Very high98.8Very high55 Ų5532.6 Ų32.626%0.25716%0.155SC..Hα-helixtrans-63.5-38.1175-75.8-170-158.100112.9K80 Y110 L319 A320 L325 K327K80-E323 WeakPolarHBondContact CE-OE2 3.41Å; K80-E323 VanDerWaalsContact NZ-CB 3.3Å; K80-E323 IonicContact NZ-OE2 3.5Å; K80-E323 PolarHBondContact NZ-OE2 3.44Å; Y110-E323 HydrophobicContact CE2-CG 4.39Å; L319-E323 WeakPolarHBondContact O-CG 3.49Å; L319-E323 PolarHBondContact O-N 3.17Å; A320-E323 PolarHBondContact O-N 2.92Å; E323-L325 VanDerWaalsContact C-N 3.34Å; E323-K327 HydrophobicContact CB-CD 4.49Å; E323-K327 WeakPolarHBondContact O-CB 3.24Å; E323-K327 VanDerWaalsContact O-CG 3.26Å; E323-K327 WeakPolarHBondContact O-CG 3.43Å; E323-K327 PolarHBondContact O-N 3.31Å; E323-K327 IonicContact OE2-NZ 2.77Å; E323-K327 PolarHBondContact OE2-NZ 3.42Å
324V98.8Very high98.8Very high0 Ų032.1 Ų32.10%015%0.153CC..Hα-helixtrans-61.2-47.6173166.10000109.7Q74 H78 K80 I81 A320 L322 E326 K327 E328 L330Q74-V324 HydrophobicContact CB-CG1 3.94Å; Q74-V324 HydrophobicContact CG-CB 4.08Å; Q74-V324 HydrophobicContact CG-CG1 3.51Å; H78-V324 VanDerWaalsContact CE1-CG2 3.47Å; H78-V324 WeakPolarHBondContact CE1-CG2 3.35Å; K80-V324 HydrophobicContact CB-CG2 4Å; K80-V324 HydrophobicContact CD-CG2 3.73Å; K80-V324 HydrophobicContact CG-CG2 4.12Å; I81-V324 HydrophobicContact CG1-CG2 4.17Å; A320-V324 VanDerWaalsContact O-CG2 3.27Å; A320-V324 WeakPolarHBondContact O-CG2 3.16Å; A320-V324 PolarHBondContact O-N 3.3Å; L322-V324 VanDerWaalsContact C-N 3.32Å; L322-V324 PolarHBondContact O-N 3.19Å; V324-E326 VanDerWaalsContact C-N 3.33Å; V324-E326 PolarHBondContact O-N 3.18Å; V324-K327 PolarHBondContact O-N 3.31Å; V324-E328 HydrophobicContact CG1-CG 4.45Å; V324-E328 VanDerWaalsContact O-CB 3.25Å; V324-E328 WeakPolarHBondContact O-CB 3.43Å; V324-E328 PolarHBondContact O-N 3.16Å; V324-L330 HydrophobicContact CG1-CD1 4.24Å
325L98.7Very high98.8Very high3 Ų333.9 Ų33.92%0.01616%0.161CC..Hα-helixtrans-55.1-47.5179.7-177.9162.5000112.6L254 A321 L322 E323 L330L254-L325 VanDerWaalsContact C-CD1 3.43Å; L254-L325 HydrophobicContact CB-CD1 3.64Å; L254-L325 HydrophobicContact CD2-CD1 4.32Å; L254-L325 WeakPolarHBondContact O-CD1 3.19Å; A321-L325 WeakPolarHBondContact O-CB 3.38Å; A321-L325 PolarHBondContact O-N 3.48Å; L322-L325 WeakPolarHBondContact O-CB 3.26Å; L322-L325 PolarHBondContact O-N 3.19Å; E323-L325 VanDerWaalsContact C-N 3.34Å; L325-L330 HydrophobicContact CB-CD1 4.43Å; L325-L330 HydrophobicContact CG-CB 4.5Å; L325-L330 PolarHBondContact O-N 2.97Å; L325-L330 VanDerWaalsContact O-N 3.16Å
326E98.7Very high98.8Very high51 Ų5138.7 Ų38.724%0.23818%0.182CC..Hα-helixtrans-75.5-47.5-178.9-63.1-64.3142.200112.4L114 R260 L322 V324 E328 H329L114-E326 HydrophobicContact CD1-CG 4.09Å; L114-E326 HydrophobicContact CD2-CG 4.32Å; R260-E326 IonicContact CZ-OE1 3.93Å; R260-E326 IonicContact CZ-OE2 3.4Å; R260-E326 IonicContact NE-OE1 3.95Å; R260-E326 PolarHBondContact NE-OE1 2.92Å; R260-E326 IonicContact NE-OE2 2.69Å; R260-E326 IonicContact NH2-OE1 2.77Å; R260-E326 PolarHBondContact NH2-OE1 3.5Å; R260-E326 IonicContact NH2-OE2 3.13Å; R260-E326 PolarHBondContact NH2-OE2 3.35Å; L322-E326 WeakPolarHBondContact O-CG 3.25Å; L322-E326 PolarHBondContact O-N 3.06Å; V324-E326 VanDerWaalsContact C-N 3.33Å; V324-E326 PolarHBondContact O-N 3.18Å; E326-E328 VanDerWaalsContact C-N 3.35Å; E326-E328 PolarHBondContact O-N 3Å; E326-H329 PolarHBondContact O-N 2.72Å
327K98.5Very high98.8Very high139 Ų13936.1 Ų36.160%0.60417%0.171SC*.Hα-helixtrans-72.9-26.4-174.2-68.4174178.5169.50113.2E323 V324E323-K327 HydrophobicContact CB-CD 4.49Å; E323-K327 WeakPolarHBondContact O-CB 3.24Å; E323-K327 VanDerWaalsContact O-CG 3.26Å; E323-K327 WeakPolarHBondContact O-CG 3.43Å; E323-K327 PolarHBondContact O-N 3.31Å; E323-K327 IonicContact OE2-NZ 2.77Å; E323-K327 PolarHBondContact OE2-NZ 3.42Å; V324-K327 PolarHBondContact O-N 3.31Å
328E98.6Very high98.8Very high83 Ų8336.1 Ų36.139%0.38817%0.171SC..THydrogen-bonded Turntrans-99.38.8179.6-59.1179.7-158.800112.8H78 V324 E326 L330H78-E328 IonicContact CE1-OE1 2.7Å; H78-E328 PolarHBondContact CE1-OE1 2.93Å; H78-E328 IonicContact NE2-OE1 3.74Å; H78-E328 PolarHBondContact NE2-OE1 3.32Å; H78-E328 IonicContact NE2-OE2 3.94Å; H78-E328 PolarHBondContact NE2-OE2 3.2Å; V324-E328 HydrophobicContact CG1-CG 4.45Å; V324-E328 VanDerWaalsContact O-CB 3.25Å; V324-E328 WeakPolarHBondContact O-CB 3.43Å; V324-E328 PolarHBondContact O-N 3.16Å; E326-E328 VanDerWaalsContact C-N 3.35Å; E326-E328 PolarHBondContact O-N 3Å; E328-L330 VanDerWaalsContact C-N 3.3Å; E328-L330 HydrophobicContact CB-CD2 3.84Å; E328-L330 HydrophobicContact CB-CG 4.26Å; E328-L330 PolarHBondContact O-N 2.82Å
329H98.5Very high98.8Very high108 Ų10841.2 Ų41.250%0.520%0.195SC..THydrogen-bonded Turntrans5443.6175.2-59.3-73.6000113.3E326 A331 E332 N333E326-H329 PolarHBondContact O-N 2.72Å; H329-A331 VanDerWaalsContact C-N 3.28Å; H329-A331 PolarHBondContact O-N 3.39Å; H329-E332 VanDerWaalsContact CA-OE2 3.23Å; H329-E332 WeakPolarHBondContact CA-OE2 3.47Å; H329-E332 HydrophobicContact CB-CB 4.29Å; H329-E332 HydrophobicContact CB-CG 4.47Å; H329-E332 IonicContact CG-OE1 2.63Å; H329-E332 IonicContact ND1-OE1 3.9Å; H329-E332 PolarHBondContact ND1-OE1 2.85Å; H329-E332 VanDerWaalsContact ND1-OE1 3.13Å; H329-E332 PolarHBondContact O-N 3.4Å; H329-N333 PolarHBondContact O-N 2.96Å
330L98.9Very high98.8Very high3 Ų342.1 Ų42.12%0.01620%0.199CC..Hα-helixtrans-68.3-29-172.4-62.3-166.4000112.8Q74 V324 L325 E328 S334 L401 I402Q74-L330 HydrophobicContact CB-CD1 4.44Å; Q74-L330 HydrophobicContact CG-CD1 3.87Å; V324-L330 HydrophobicContact CG1-CD1 4.24Å; L325-L330 HydrophobicContact CB-CD1 4.43Å; L325-L330 HydrophobicContact CG-CB 4.5Å; L325-L330 PolarHBondContact O-N 2.97Å; L325-L330 VanDerWaalsContact O-N 3.16Å; E328-L330 VanDerWaalsContact C-N 3.3Å; E328-L330 HydrophobicContact CB-CD2 3.84Å; E328-L330 HydrophobicContact CB-CG 4.26Å; E328-L330 PolarHBondContact O-N 2.82Å; L330-S334 VanDerWaalsContact O-CB 3.23Å; L330-S334 WeakPolarHBondContact O-CB 3.4Å; L330-S334 PolarHBondContact O-N 3.42Å; L330-L401 HydrophobicContact CB-CB 3.94Å; L330-L401 HydrophobicContact CB-CD1 4.03Å; L330-L401 HydrophobicContact CD1-CB 4.41Å; L330-I402 HydrophobicContact CD1-CG2 4.36Å; L330-I402 HydrophobicContact CD2-CG2 3.58Å
331A98.8Very high98.8Very high11 Ų1141.8 Ų41.89%0.09120%0.196CC..Hα-helixtrans-66.9-45.5174.700000110.5G258 H329 S334 D335G258-A331 CarbonylContact C-O 3.32Å; G258-A331 WeakPolarHBondContact CA-O 3.2Å; H329-A331 VanDerWaalsContact C-N 3.28Å; H329-A331 PolarHBondContact O-N 3.39Å; A331-S334 WeakPolarHBondContact O-CB 3.31Å; A331-S334 PolarHBondContact O-N 3.04Å; A331-D335 PolarHBondContact O-N 2.8Å
332E98.8Very high98.8Very high107 Ų10744.4 Ų44.450%0.521%0.206SC..Hα-helixtrans-64.7-44.5178.4-60.791.1142.900111.1H329 S334 D335 K336H329-E332 VanDerWaalsContact CA-OE2 3.23Å; H329-E332 WeakPolarHBondContact CA-OE2 3.47Å; H329-E332 HydrophobicContact CB-CB 4.29Å; H329-E332 HydrophobicContact CB-CG 4.47Å; H329-E332 IonicContact CG-OE1 2.63Å; H329-E332 IonicContact ND1-OE1 3.9Å; H329-E332 PolarHBondContact ND1-OE1 2.85Å; H329-E332 VanDerWaalsContact ND1-OE1 3.13Å; H329-E332 PolarHBondContact O-N 3.4Å; E332-S334 VanDerWaalsContact C-N 3.28Å; E332-S334 PolarHBondContact O-N 2.87Å; E332-D335 PolarHBondContact O-N 2.96Å; E332-K336 PolarHBondContact O-N 3.06Å
333N98.9Very high98.8Very high40 Ų4050.9 Ų50.921%0.21424%0.235CC..Hα-helixtrans-64.1-37.3175.4-163.948.9000111.3H329 D335 K336 M337 L401 I403H329-N333 PolarHBondContact O-N 2.96Å; N333-D335 VanDerWaalsContact C-N 3.34Å; N333-D335 PolarHBondContact O-N 3.24Å; N333-K336 PolarHBondContact O-N 2.76Å; N333-M337 VanDerWaalsContact O-CB 3.29Å; N333-M337 WeakPolarHBondContact O-CB 3.39Å; N333-M337 VanDerWaalsContact O-CG 3.3Å; N333-M337 WeakPolarHBondContact O-CG 3.25Å; N333-M337 PolarHBondContact O-N 3.35Å; N333-L401 PolarHBondContact ND2-O 3.45Å; N333-I403 PolarHBondContact ND2-O 3.25Å
334S98.9Very high98.8Very high0 Ų050.5 Ų50.50%023%0.233CC..Hα-helixtrans-60.8-41.6174-176.10000112.8G255 R256 L330 A331 E332 G338 G360 L361G255-S334 WeakPolarHBondContact O-CB 3.43Å; G255-S334 PolarHBondContact O-OG 3.2Å; R256-S334 PolarHBondContact O-OG 3.02Å; L330-S334 VanDerWaalsContact O-CB 3.23Å; L330-S334 WeakPolarHBondContact O-CB 3.4Å; L330-S334 PolarHBondContact O-N 3.42Å; A331-S334 WeakPolarHBondContact O-CB 3.31Å; A331-S334 PolarHBondContact O-N 3.04Å; E332-S334 VanDerWaalsContact C-N 3.28Å; E332-S334 PolarHBondContact O-N 2.87Å; S334-G338 PolarHBondContact O-N 3.3Å; S334-G360 CarbonylContact O-C 3Å; S334-G360 VanDerWaalsContact O-C 3.32Å; S334-G360 WeakPolarHBondContact O-CA 3.47Å; S334-L361 PolarHBondContact O-N 3.27Å; S334-L361 PolarHBondContact OG-N 2.81Å
335D98.9Very high98.7Very high38 Ų3850.6 Ų50.620%0.20323%0.233CC..Hα-helixtrans-64.6-50.4177.4-168.964.6000110.3Y265 A331 E332 N333 G338 Q339Y265-D335 PolarHBondContact OH-OD1 2.91Å; A331-D335 PolarHBondContact O-N 2.8Å; E332-D335 PolarHBondContact O-N 2.96Å; N333-D335 VanDerWaalsContact C-N 3.34Å; N333-D335 PolarHBondContact O-N 3.24Å; D335-G338 PolarHBondContact O-N 2.92Å; D335-Q339 WeakPolarHBondContact O-CG 3.46Å; D335-Q339 PolarHBondContact O-N 2.94Å; D335-Q339 VanDerWaalsContact O-N 3.12Å; D335-Q339 PolarHBondContact OD2-NE2 2.82Å
336K98.8Very high98.6Very high103 Ų10358.3 Ų58.345%0.44827%0.267SS..Hα-helixtrans-58.9-55.7179.5-171.5-168.7168.1-166.50112E332 N333 G338 Q339 I340 E405E332-K336 PolarHBondContact O-N 3.06Å; N333-K336 PolarHBondContact O-N 2.76Å; K336-G338 VanDerWaalsContact C-N 3.29Å; K336-G338 PolarHBondContact O-N 2.97Å; K336-Q339 PolarHBondContact O-N 3.31Å; K336-I340 PolarHBondContact O-N 3.27Å; K336-E405 VanDerWaalsContact CE-OE2 3.31Å; K336-E405 WeakPolarHBondContact CE-OE2 3.31Å; K336-E405 IonicContact NZ-OE2 2.81Å; K336-E405 PolarHBondContact NZ-OE2 2.7Å
337M98.9Very high98.6Very high1 Ų160.8 Ų60.81%0.00528%0.281CS..Hα-helixtrans-66.7-32.8-177.2-66.9-59.4104.800112N333 I340 F341 L361 I403 E405 M408N333-M337 VanDerWaalsContact O-CB 3.29Å; N333-M337 WeakPolarHBondContact O-CB 3.39Å; N333-M337 VanDerWaalsContact O-CG 3.3Å; N333-M337 WeakPolarHBondContact O-CG 3.25Å; N333-M337 PolarHBondContact O-N 3.35Å; M337-I340 HydrophobicContact CE-CD1 3.6Å; M337-I340 PolarHBondContact O-N 2.94Å; M337-I340 HydrophobicContact SD-CD1 4.35Å; M337-F341 WeakPolarHBondContact O-CB 3.2Å; M337-F341 PolarHBondContact O-N 2.9Å; M337-L361 HydrophobicContact CB-CD1 4.12Å; M337-L361 HydrophobicContact CB-CD2 3.82Å; M337-L361 HydrophobicContact CB-CG 4.22Å; M337-I403 HydrophobicContact CB-CG2 4.15Å; M337-I403 HydrophobicContact CG-CG2 3.99Å; M337-I403 WeakPolarHBondContact CG-O 3.27Å; M337-E405 HydrophobicContact CE-CB 3.95Å; M337-E405 HydrophobicContact CE-CG 4.43Å; M337-E405 VanDerWaalsContact SD-CA 3.6Å; M337-E405 HydrophobicContact SD-CB 4.18Å; M337-M408 HydrophobicContact CB-CE 3.99Å; M337-M408 HydrophobicContact SD-CB 4.13Å
338G98.8Very high98.6Very high0 Ų054.6 Ų54.60%026%0.255CS..Hα-helixtrans-61.1-41.3172.700000113.5S334 D335 K336 R342 G360S334-G338 PolarHBondContact O-N 3.3Å; D335-G338 PolarHBondContact O-N 2.92Å; K336-G338 VanDerWaalsContact C-N 3.29Å; K336-G338 PolarHBondContact O-N 2.97Å; G338-R342 VanDerWaalsContact O-CZ 3.24Å; G338-R342 PolarHBondContact O-N 2.89Å; G338-R342 PolarHBondContact O-NH1 3.47Å; G338-R342 VanDerWaalsContact O-NH1 3.17Å; G338-G360 WeakPolarHBondContact CA-O 3.47Å
339Q98.8Very high98.5Very high107 Ų10752 Ų5250%0.525%0.245SC..Hα-helixtrans-65.2-43175.9-68174.736.700111.6D335 K336 K343D335-Q339 WeakPolarHBondContact O-CG 3.46Å; D335-Q339 PolarHBondContact O-N 2.94Å; D335-Q339 VanDerWaalsContact O-N 3.12Å; D335-Q339 PolarHBondContact OD2-NE2 2.82Å; K336-Q339 PolarHBondContact O-N 3.31Å; Q339-K343 WeakPolarHBondContact O-CB 3.49Å; Q339-K343 PolarHBondContact O-N 2.94Å
340I98.8Very high98.4Very high26 Ų2652.2 Ų52.213%0.13325%0.254CS..Hα-helixtrans-61.6-50.4175.6-63.6179.2000110.4K336 M337 R342 K343 E344 E405 M408 L409K336-I340 PolarHBondContact O-N 3.27Å; M337-I340 HydrophobicContact CE-CD1 3.6Å; M337-I340 PolarHBondContact O-N 2.94Å; M337-I340 HydrophobicContact SD-CD1 4.35Å; I340-R342 PolarHBondContact O-N 2.76Å; I340-K343 WeakPolarHBondContact O-CB 3.5Å; I340-K343 PolarHBondContact O-N 2.91Å; I340-K343 VanDerWaalsContact O-N 3.1Å; I340-E344 HydrophobicContact CG2-CG 4.46Å; I340-E344 WeakPolarHBondContact O-CG 3.23Å; I340-E344 PolarHBondContact O-N 2.89Å; I340-E405 HydrophobicContact CD1-CG 3.69Å; I340-M408 HydrophobicContact CG2-CG 4.16Å; I340-L409 HydrophobicContact CG2-CD2 3.89Å
341F98.9Very high98.3Very high1 Ų158.2 Ų58.20%0.00428%0.28CS..Hα-helixtrans-52.2-54.4177.5177.9-95.3000111.5F65 M337 K343 E344 M345 N363 F397 M408 I415F65-F341 HydrophobicContact CD1-CE2 4.43Å; F65-F341 HydrophobicContact CE1-CD2 4.08Å; F65-F341 AromaticContact CE1-CE2 3.89Å; F65-F341 HydrophobicContact CE1-CE2 3.89Å; M337-F341 WeakPolarHBondContact O-CB 3.2Å; M337-F341 PolarHBondContact O-N 2.9Å; F341-K343 VanDerWaalsContact C-N 3.28Å; F341-K343 PolarHBondContact O-N 3.1Å; F341-E344 PolarHBondContact O-N 3.45Å; F341-M345 HydrophobicContact CD1-CG 3.94Å; F341-M345 HydrophobicContact CD2-CG 4.27Å; F341-M345 HydrophobicContact CE1-CG 3.5Å; F341-M345 VanDerWaalsContact CE1-CG 3.5Å; F341-M345 HydrophobicContact CE1-SD 4.43Å; F341-M345 HydrophobicContact CE2-CE 4.33Å; F341-M345 HydrophobicContact CE2-CG 3.87Å; F341-M345 HydrophobicContact CE2-SD 3.93Å; F341-M345 HydrophobicContact CG-CG 4.3Å; F341-M345 HydrophobicContact CZ-CG 3.46Å; F341-M345 VanDerWaalsContact CZ-CG 3.46Å; F341-M345 HydrophobicContact CZ-SD 3.78Å; F341-M345 VanDerWaalsContact O-CG 3.26Å; F341-M345 WeakPolarHBondContact O-CG 3.46Å; F341-M345 PolarHBondContact O-N 2.9Å; F341-N363 HydrophobicContact CD1-CB 3.77Å; F341-N363 HydrophobicContact CE1-CB 3.47Å; F341-N363 VanDerWaalsContact CE1-CB 3.47Å; F341-N363 HydrophobicContact CZ-CB 4.43Å; F341-F397 HydrophobicContact CE1-CB 4.08Å; F341-F397 HydrophobicContact CE1-CD2 4.5Å; F341-F397 HydrophobicContact CE1-CG 4.45Å; F341-F397 HydrophobicContact CE2-CB 4.04Å; F341-F397 HydrophobicContact CE2-CD1 4.39Å; F341-F397 HydrophobicContact CE2-CG 4.14Å; F341-F397 HydrophobicContact CZ-CB 3.49Å; F341-F397 VanDerWaalsContact CZ-CB 3.49Å; F341-F397 HydrophobicContact CZ-CD1 4.19Å; F341-F397 AromaticContact CZ-CD2 3.78Å; F341-F397 HydrophobicContact CZ-CD2 3.78Å; F341-F397 AromaticContact CZ-CG 3.55Å; F341-F397 HydrophobicContact CZ-CG 3.55Å; F341-M408 HydrophobicContact CB-CE 4.23Å; F341-M408 HydrophobicContact CB-SD 3.87Å; F341-M408 HydrophobicContact CD2-SD 3.77Å; F341-M408 HydrophobicContact CG-SD 4.29Å; F341-I415 HydrophobicContact CE2-CD1 3.96Å
342R98.6Very high98.3Very high55 Ų5557.7 Ų57.721%0.20828%0.276CS..Hα-helixtrans-66.8-27.6-179-69.5-173.5-62.6-78-2.6113.2G338 I340 V356 G358 G360 N363G338-R342 VanDerWaalsContact O-CZ 3.24Å; G338-R342 PolarHBondContact O-N 2.89Å; G338-R342 PolarHBondContact O-NH1 3.47Å; G338-R342 VanDerWaalsContact O-NH1 3.17Å; I340-R342 PolarHBondContact O-N 2.76Å; R342-V356 HydrophobicContact CG-CG1 4.46Å; R342-G358 PolarHBondContact NE-O 3.03Å; R342-G360 PolarHBondContact NH1-O 2.79Å; R342-N363 WeakPolarHBondContact CD-OD1 3.42Å; R342-N363 VanDerWaalsContact CG-OD1 3.28Å; R342-N363 WeakPolarHBondContact CG-OD1 3.23Å; R342-N363 PolarHBondContact NH1-OD1 3.44Å
343K98.6Very high98.2Very high138 Ų13853.1 Ų53.160%0.626%0.255SS*.Hα-helixtrans-65.3-48172.2-179.2-171.4172.9-168.30110.5Q339 I340 F341 K346Q339-K343 WeakPolarHBondContact O-CB 3.49Å; Q339-K343 PolarHBondContact O-N 2.94Å; I340-K343 WeakPolarHBondContact O-CB 3.5Å; I340-K343 PolarHBondContact O-N 2.91Å; I340-K343 VanDerWaalsContact O-N 3.1Å; F341-K343 VanDerWaalsContact C-N 3.28Å; F341-K343 PolarHBondContact O-N 3.1Å; K343-K346 WeakPolarHBondContact O-CB 3.22Å; K343-K346 PolarHBondContact O-N 3.1Å
344E98.6Very high98.2Very high46 Ų4656.3 Ų56.322%0.21527%0.269CS..Hα-helixtrans-66.4-40.7179.1-65-50125.900112.2I340 F341 K346 N347 L409 C412 I416I340-E344 HydrophobicContact CG2-CG 4.46Å; I340-E344 WeakPolarHBondContact O-CG 3.23Å; I340-E344 PolarHBondContact O-N 2.89Å; F341-E344 PolarHBondContact O-N 3.45Å; E344-K346 PolarHBondContact O-N 3.48Å; E344-N347 WeakPolarHBondContact O-CB 3.22Å; E344-N347 PolarHBondContact O-N 3.44Å; E344-N347 PolarHBondContact O-ND2 3.08Å; E344-L409 HydrophobicContact CG-CD2 3.98Å; E344-C412 HydrophobicContact CB-CB 3.82Å; E344-C412 HydrophobicContact CG-CB 4.03Å; E344-I416 HydrophobicContact CB-CD1 4.43Å
345M98.4Very high98.1Very high2 Ų260.6 Ų60.61%0.0129%0.289CS..G310 helixtrans-66-8.9179.7-65.3-54.993.400114F341 N347 L348 V356 C412 I415 I416F341-M345 HydrophobicContact CD1-CG 3.94Å; F341-M345 HydrophobicContact CD2-CG 4.27Å; F341-M345 HydrophobicContact CE1-CG 3.5Å; F341-M345 VanDerWaalsContact CE1-CG 3.5Å; F341-M345 HydrophobicContact CE1-SD 4.43Å; F341-M345 HydrophobicContact CE2-CE 4.33Å; F341-M345 HydrophobicContact CE2-CG 3.87Å; F341-M345 HydrophobicContact CE2-SD 3.93Å; F341-M345 HydrophobicContact CG-CG 4.3Å; F341-M345 HydrophobicContact CZ-CG 3.46Å; F341-M345 VanDerWaalsContact CZ-CG 3.46Å; F341-M345 HydrophobicContact CZ-SD 3.78Å; F341-M345 VanDerWaalsContact O-CG 3.26Å; F341-M345 WeakPolarHBondContact O-CG 3.46Å; F341-M345 PolarHBondContact O-N 2.9Å; M345-N347 PolarHBondContact O-N 3.05Å; M345-L348 HydrophobicContact CB-CD1 3.99Å; M345-L348 HydrophobicContact CB-CG 4.39Å; M345-L348 HydrophobicContact CG-CD1 4.33Å; M345-L348 WeakPolarHBondContact O-CB 3.23Å; M345-L348 VanDerWaalsContact O-CG 3.27Å; M345-L348 WeakPolarHBondContact O-CG 3.35Å; M345-L348 PolarHBondContact O-N 2.91Å; M345-L348 HydrophobicContact SD-CD1 3.75Å; M345-L348 HydrophobicContact SD-CD2 4.27Å; M345-L348 HydrophobicContact SD-CG 4.15Å; M345-V356 HydrophobicContact CB-CB 4.42Å; M345-V356 HydrophobicContact CB-CG1 3.8Å; M345-V356 HydrophobicContact CB-CG2 3.99Å; M345-V356 HydrophobicContact CG-CG1 4.36Å; M345-C412 HydrophobicContact CE-CB 3.83Å; M345-I415 HydrophobicContact CE-CB 4.28Å; M345-I415 HydrophobicContact CE-CG2 4.12Å; M345-I415 HydrophobicContact SD-CB 4.39Å; M345-I415 HydrophobicContact SD-CG2 3.63Å; M345-I416 HydrophobicContact CE-CD1 4.15Å; M345-I416 HydrophobicContact CE-CG1 3.93Å
346K96.8Very high98Very high166 Ų16660.8 Ų60.872%0.72229%0.291SS*.G310 helixtrans-63.7-20.2167.7-69178.4178.9-178.50112.8K343 E344 L348K343-K346 WeakPolarHBondContact O-CB 3.22Å; K343-K346 PolarHBondContact O-N 3.1Å; E344-K346 PolarHBondContact O-N 3.48Å; K346-L348 VanDerWaalsContact C-N 3.28Å
347N97.4Very high98Very high103 Ų10357.9 Ų57.955%0.55128%0.277SS*.G310 helixtrans-83.8-0178.7-60.8-39.4000113.3E344 M345 I416E344-N347 WeakPolarHBondContact O-CB 3.22Å; E344-N347 PolarHBondContact O-N 3.44Å; E344-N347 PolarHBondContact O-ND2 3.08Å; M345-N347 PolarHBondContact O-N 3.05Å; N347-I416 HydrophobicContact CB-CD1 4.12Å
348L98.1Very high97.9Very high9 Ų958.3 Ų58.35%0.04728%0.283CS..SBendtrans-67.9145.4175.7-64.2176.3000111M345 K346 T350 V353 V356 T365 I415 I416 F419M345-L348 HydrophobicContact CB-CD1 3.99Å; M345-L348 HydrophobicContact CB-CG 4.39Å; M345-L348 HydrophobicContact CG-CD1 4.33Å; M345-L348 WeakPolarHBondContact O-CB 3.23Å; M345-L348 VanDerWaalsContact O-CG 3.27Å; M345-L348 WeakPolarHBondContact O-CG 3.35Å; M345-L348 PolarHBondContact O-N 2.91Å; M345-L348 HydrophobicContact SD-CD1 3.75Å; M345-L348 HydrophobicContact SD-CD2 4.27Å; M345-L348 HydrophobicContact SD-CG 4.15Å; K346-L348 VanDerWaalsContact C-N 3.28Å; L348-T350 PolarHBondContact O-N 2.71Å; L348-T350 VanDerWaalsContact O-N 3.14Å; L348-V353 HydrophobicContact CB-CB 4.36Å; L348-V353 HydrophobicContact CB-CG2 3.91Å; L348-V353 HydrophobicContact CD1-CG2 4.04Å; L348-V356 HydrophobicContact CD1-CG2 4.19Å; L348-T365 HydrophobicContact CD1-CG2 3.91Å; L348-I415 HydrophobicContact CD2-CG2 4.34Å; L348-I416 HydrophobicContact CD2-CB 4.4Å; L348-I416 HydrophobicContact CD2-CG1 3.92Å; L348-F419 HydrophobicContact CD1-CE1 4.49Å; L348-F419 HydrophobicContact CD2-CB 3.68Å; L348-F419 HydrophobicContact CD2-CD1 4.25Å; L348-F419 HydrophobicContact CD2-CD2 3.99Å; L348-F419 HydrophobicContact CD2-CG 3.73Å
349P97.3Very high97.9Very high29 Ų2960.9 Ų60.919%0.18829%0.294CS..  trans-63.8116.4179.624.1-32.3000111.4K351 V352 V353 F419 V423P349-K351 PolarHBondContact O-N 3Å; P349-K351 VanDerWaalsContact O-N 3.1Å; P349-V352 HydrophobicContact CB-CG2 4.17Å; P349-V352 HydrophobicContact CG-CB 4.12Å; P349-V352 HydrophobicContact CG-CG2 3.77Å; P349-V352 PolarHBondContact O-N 3.13Å; P349-V353 PolarHBondContact O-N 3.28Å; P349-F419 HydrophobicContact CG-CB 4.2Å; P349-F419 WeakPolarHBondContact CG-O 3.28Å; P349-V423 HydrophobicContact CB-CG2 3.59Å; P349-V423 HydrophobicContact CG-CG2 3.66Å
350T96.8Very high97.9Very high112 Ų11255.8 Ų55.869%0.68727%0.27SS*.THydrogen-bonded Turntrans-63.2-17.1-178.655.50000114.2L348 V352 V353 R368L348-T350 PolarHBondContact O-N 2.71Å; L348-T350 VanDerWaalsContact O-N 3.14Å; T350-V352 VanDerWaalsContact C-N 3.31Å; T350-V353 CarbonylContact C-O 3.6Å; T350-V353 VanDerWaalsContact O-O 3.11Å; T350-R368 PolarHBondContact O-NE 3.14Å
351K96.9Very high97.9Very high129 Ų12954.6 Ų54.656%0.56126%0.264SS*.THydrogen-bonded Turntrans-67.7-31.1170.6-166.3-173.7173-167.20111.9P349 R368 Y371 V423P349-K351 PolarHBondContact O-N 3Å; P349-K351 VanDerWaalsContact O-N 3.1Å; K351-R368 WeakPolarHBondContact O-CD 3.28Å; K351-Y371 WeakPolarHBondContact CD-OH 3.46Å; K351-Y371 WeakPolarHBondContact CE-OH 3.19Å; K351-Y371 HydrophobicContact CG-CE2 4.32Å; K351-Y371 WeakPolarHBondContact CG-OH 3.47Å; K351-Y371 WeakPolarHBondContact O-CE2 3.2Å; K351-V423 HydrophobicContact CD-CG1 4.39Å
352V97.6Very high97.9Very high0 Ų054.5 Ų54.50%026%0.263CS..THydrogen-bonded Turntrans-97.3-42-179.3-174.40000110.8P349 T350 I367 R368 Y371 I376 F419 V422 V423P349-V352 HydrophobicContact CB-CG2 4.17Å; P349-V352 HydrophobicContact CG-CB 4.12Å; P349-V352 HydrophobicContact CG-CG2 3.77Å; P349-V352 PolarHBondContact O-N 3.13Å; T350-V352 VanDerWaalsContact C-N 3.31Å; V352-I367 HydrophobicContact CG1-CG2 4.46Å; V352-R368 PolarHBondContact O-N 2.92Å; V352-Y371 HydrophobicContact CB-CD1 4.42Å; V352-Y371 HydrophobicContact CB-CD2 4.46Å; V352-Y371 HydrophobicContact CB-CG 4.4Å; V352-Y371 HydrophobicContact CG1-CD1 4.02Å; V352-Y371 HydrophobicContact CG1-CD2 4.41Å; V352-Y371 HydrophobicContact CG1-CG 3.94Å; V352-Y371 HydrophobicContact CG2-CD1 3.98Å; V352-Y371 HydrophobicContact CG2-CE1 3.68Å; V352-Y371 HydrophobicContact CG2-CE2 4.28Å; V352-Y371 HydrophobicContact CG2-CG 4.4Å; V352-I376 HydrophobicContact CG1-CD1 3.94Å; V352-F419 HydrophobicContact CG1-CD1 4.06Å; V352-V422 HydrophobicContact CG1-CG2 3.93Å; V352-V422 HydrophobicContact CG2-CG2 3.94Å; V352-V423 HydrophobicContact CG2-CG2 3.6Å
353V98Very high97.9Very high10 Ų1051.9 Ų51.96%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-104.7122.4-173.6-176.40000110.2L348 P349 T350 V356 T365 I367 F419L348-V353 HydrophobicContact CB-CB 4.36Å; L348-V353 HydrophobicContact CB-CG2 3.91Å; L348-V353 HydrophobicContact CD1-CG2 4.04Å; P349-V353 PolarHBondContact O-N 3.28Å; T350-V353 CarbonylContact C-O 3.6Å; T350-V353 VanDerWaalsContact O-O 3.11Å; V353-V356 HydrophobicContact CG1-CG2 3.92Å; V353-T365 HydrophobicContact CG1-CG2 4.48Å; V353-I367 HydrophobicContact CG2-CD1 4.47Å; V353-F419 HydrophobicContact CG2-CD1 3.47Å; V353-F419 VanDerWaalsContact CG2-CD1 3.47Å; V353-F419 HydrophobicContact CG2-CE1 3.41Å; V353-F419 VanDerWaalsContact CG2-CE1 3.41Å
354E97.2Very high97.9Very high108 Ų10845.3 Ų45.351%0.50523%0.225SC..EExtended strand (participates in β ladder)trans-78.4-47.9175.2-178.117217000111.7V366 R368E354-V366 HydrophobicContact CB-CB 4.26Å; E354-V366 HydrophobicContact CB-CG1 4.21Å; E354-V366 PolarHBondContact N-O 2.89Å; E354-R368 HydrophobicContact CB-CG 3.82Å
355E97.1Very high97.8Very high89 Ų8943.1 Ų43.142%0.41622%0.215SC..EExtended strand (participates in β ladder)trans-149.6143.7-173.7-171.7-168-173.300109.7R357 T365 V366E355-R357 IonicContact OE2-CZ 3.73Å; E355-R357 IonicContact OE2-NH1 3.3Å; E355-R357 PolarHBondContact OE2-NH1 2.88Å; E355-T365 CarbonylContact O-C 3.58Å; E355-T365 WeakPolarHBondContact O-CA 3.09Å; E355-V366 HydrophobicContact CB-CB 4.34Å; E355-V366 HydrophobicContact CB-CG2 4.25Å; E355-V366 PolarHBondContact O-N 2.97Å
356V98Very high97.8Very high43 Ų4343.4 Ų43.426%0.26122%0.217SC..EExtended strand (participates in β ladder)trans-113.1124.8162.8-1770000107.8R342 M345 L348 V353 T365R342-V356 HydrophobicContact CG-CG1 4.46Å; M345-V356 HydrophobicContact CB-CB 4.42Å; M345-V356 HydrophobicContact CB-CG1 3.8Å; M345-V356 HydrophobicContact CB-CG2 3.99Å; M345-V356 HydrophobicContact CG-CG1 4.36Å; L348-V356 HydrophobicContact CD1-CG2 4.19Å; V353-V356 HydrophobicContact CG1-CG2 3.92Å; V356-T365 HydrophobicContact CG1-CG2 4.39Å; V356-T365 HydrophobicContact CG2-CG2 3.96Å
357R97.6Very high97.9Very high41 Ų4135.7 Ų35.716%0.15518%0.183CC..EExtended strand (participates in β ladder)trans-135.3152.6-179.662.6-172.6-180-150.27.2111.3G222 V223 I225 E355 N363 A364G222-R357 PolarHBondContact O-NE 3.24Å; G222-R357 PolarHBondContact O-NH2 3.01Å; V223-R357 VanDerWaalsContact O-CD 3.25Å; V223-R357 WeakPolarHBondContact O-CD 3.17Å; V223-R357 PolarHBondContact O-NE 3.11Å; I225-R357 HydrophobicContact CD1-CB 4.34Å; E355-R357 IonicContact OE2-CZ 3.73Å; E355-R357 IonicContact OE2-NH1 3.3Å; E355-R357 PolarHBondContact OE2-NH1 2.88Å; R357-N363 CarbonylContact O-C 3.55Å; R357-N363 VanDerWaalsContact O-CA 3.29Å; R357-N363 WeakPolarHBondContact O-CA 3.19Å; R357-A364 PolarHBondContact N-O 3.41Å; R357-A364 PolarHBondContact O-N 2.85Å
358G98Very high97.9Very high11 Ų1135.4 Ų35.411%0.11317%0.174CC..EExtended strand (participates in β ladder)trans170167.4175.400000113.1I225 R342 L362 N363I225-G358 WeakPolarHBondContact CD1-O 3.38Å; R342-G358 PolarHBondContact NE-O 3.03Å; G358-L362 CarbonylContact C-O 3.45Å; G358-L362 WeakPolarHBondContact CA-O 3.28Å; G358-N363 WeakPolarHBondContact CA-OD1 3.24Å
359K98.4Very high97.7Very high54 Ų5440.9 Ų40.924%0.23521%0.21CC..EExtended strand (participates in β ladder)trans-139.9131172.6-170.9175.4-96.4-172.70107.4I217 I225 T257 Y265 L361 L362I217-K359 HydrophobicContact CD1-CB 3.76Å; I217-K359 HydrophobicContact CD1-CD 4.24Å; I225-K359 HydrophobicContact CD1-CB 4.47Å; T257-K359 CarbonylContact O-C 3.39Å; T257-K359 WeakPolarHBondContact O-CG 3.2Å; Y265-K359 HydrophobicContact CD2-CD 3.84Å; Y265-K359 HydrophobicContact CE2-CD 3.64Å; Y265-K359 HydrophobicContact CE2-CG 4.07Å; Y265-K359 HydrophobicContact CG-CD 4.36Å; K359-L361 PolarHBondContact O-N 2.92Å; K359-L362 PolarHBondContact N-O 3.3Å; K359-L362 PolarHBondContact O-N 3.05Å; K359-L362 VanDerWaalsContact O-N 3.1Å
360G98.7Very high97.5Very high0 Ų043.5 Ų43.50%024%0.243CC..THydrogen-bonded Turntrans51.8-135.8-165.600000112.2T257 S334 G338 R342 L362 N363T257-G360 VanDerWaalsContact O-CA 3.28Å; T257-G360 WeakPolarHBondContact O-CA 3.34Å; T257-G360 PolarHBondContact O-N 3.42Å; S334-G360 CarbonylContact O-C 3Å; S334-G360 VanDerWaalsContact O-C 3.32Å; S334-G360 WeakPolarHBondContact O-CA 3.47Å; G338-G360 WeakPolarHBondContact CA-O 3.47Å; R342-G360 PolarHBondContact NH1-O 2.79Å; G360-L362 VanDerWaalsContact C-N 3.29Å; G360-L362 PolarHBondContact O-N 2.91Å; G360-N363 PolarHBondContact O-ND2 3.47Å; G360-N363 VanDerWaalsContact O-ND2 3.08Å
361L98.8Very high97.5Very high0 Ų040.7 Ų40.70%022%0.22CC..THydrogen-bonded Turntrans-94.528.2176.9-71.3173.6000111.9R256 S334 M337 K359 S398 P399 L401 I403 M408R256-L361 VanDerWaalsContact NH1-CB 3.34Å; R256-L361 PolarHBondContact NH1-O 3.03Å; R256-L361 PolarHBondContact O-N 3.17Å; R256-L361 VanDerWaalsContact O-N 3.1Å; S334-L361 PolarHBondContact O-N 3.27Å; S334-L361 PolarHBondContact OG-N 2.81Å; M337-L361 HydrophobicContact CB-CD1 4.12Å; M337-L361 HydrophobicContact CB-CD2 3.82Å; M337-L361 HydrophobicContact CB-CG 4.22Å; K359-L361 PolarHBondContact O-N 2.92Å; L361-S398 VanDerWaalsContact O-CA 3.25Å; L361-S398 WeakPolarHBondContact O-CA 3.26Å; L361-P399 HydrophobicContact CD1-CG 4.47Å; L361-P399 HydrophobicContact CD2-CG 3.97Å; L361-L401 HydrophobicContact CB-CD2 3.84Å; L361-L401 HydrophobicContact CD1-CD2 3.74Å; L361-L401 HydrophobicContact CG-CD2 4.35Å; L361-I403 HydrophobicContact CD1-CG2 3.82Å; L361-M408 HydrophobicContact CD2-CE 3.46Å; L361-M408 VanDerWaalsContact CD2-CE 3.46Å
362L98.6Very high97.4Very high0 Ų039.1 Ų39.10%022%0.217CC..EExtended strand (participates in β ladder)trans-108.898.4164.4-175.564.4000108I217 V223 T252 R256 T257 G358 K359 G360I217-L362 HydrophobicContact CB-CD2 4.36Å; I217-L362 HydrophobicContact CG2-CD2 4.08Å; V223-L362 HydrophobicContact CG1-CD2 4.38Å; V223-L362 HydrophobicContact CG1-CG 3.92Å; V223-L362 WeakPolarHBondContact CG1-O 3.13Å; V223-L362 HydrophobicContact CG2-CD1 4.01Å; V223-L362 HydrophobicContact CG2-CG 3.98Å; T252-L362 HydrophobicContact CG2-CD2 4.1Å; R256-L362 HydrophobicContact CG-CB 3.99Å; T257-L362 HydrophobicContact CG2-CD2 4.4Å; G358-L362 CarbonylContact C-O 3.45Å; G358-L362 WeakPolarHBondContact CA-O 3.28Å; K359-L362 PolarHBondContact N-O 3.3Å; K359-L362 PolarHBondContact O-N 3.05Å; K359-L362 VanDerWaalsContact O-N 3.1Å; G360-L362 VanDerWaalsContact C-N 3.29Å; G360-L362 PolarHBondContact O-N 2.91Å
363N98.6Very high97.4Very high0 Ų039.1 Ų39.10%022%0.218CC..EExtended strand (participates in β ladder)trans-128.7154.9-175.1-55.6-84000111.3F341 R342 R357 G358 G360 R396 F397F341-N363 HydrophobicContact CD1-CB 3.77Å; F341-N363 HydrophobicContact CE1-CB 3.47Å; F341-N363 VanDerWaalsContact CE1-CB 3.47Å; F341-N363 HydrophobicContact CZ-CB 4.43Å; R342-N363 WeakPolarHBondContact CD-OD1 3.42Å; R342-N363 VanDerWaalsContact CG-OD1 3.28Å; R342-N363 WeakPolarHBondContact CG-OD1 3.23Å; R342-N363 PolarHBondContact NH1-OD1 3.44Å; R357-N363 CarbonylContact O-C 3.55Å; R357-N363 VanDerWaalsContact O-CA 3.29Å; R357-N363 WeakPolarHBondContact O-CA 3.19Å; G358-N363 WeakPolarHBondContact CA-OD1 3.24Å; G360-N363 PolarHBondContact O-ND2 3.47Å; G360-N363 VanDerWaalsContact O-ND2 3.08Å; N363-R396 WeakPolarHBondContact O-CA 3.41Å; N363-R396 WeakPolarHBondContact O-CG 3.26Å; N363-F397 HydrophobicContact CB-CB 4.35Å; N363-F397 PolarHBondContact N-O 3.14Å; N363-F397 VanDerWaalsContact N-O 3.09Å; N363-F397 PolarHBondContact O-N 3.49Å
364A98.1Very high97.3Very high0 Ų040.9 Ų40.90%022%0.223CC..EExtended strand (participates in β ladder)trans-145.8153.4169.900000111.6V223 R357 I395V223-A364 HydrophobicContact CB-CB 3.82Å; V223-A364 HydrophobicContact CG2-CB 3.73Å; R357-A364 PolarHBondContact N-O 3.41Å; R357-A364 PolarHBondContact O-N 2.85Å; A364-I395 CarbonylContact C-O 3.59Å; A364-I395 WeakPolarHBondContact CA-O 3.35Å; A364-I395 WeakPolarHBondContact CB-O 3.26Å
365T98.1Very high97.2Very high0 Ų038.7 Ų38.70%022%0.215CC..EExtended strand (participates in β ladder)trans-108.7136.1165.959.60000109.8L348 V353 E355 V356 K394 I395 F397L348-T365 HydrophobicContact CD1-CG2 3.91Å; V353-T365 HydrophobicContact CG1-CG2 4.48Å; E355-T365 CarbonylContact O-C 3.58Å; E355-T365 WeakPolarHBondContact O-CA 3.09Å; V356-T365 HydrophobicContact CG1-CG2 4.39Å; V356-T365 HydrophobicContact CG2-CG2 3.96Å; T365-K394 CarbonylContact O-C 3.59Å; T365-K394 VanDerWaalsContact O-CA 3.3Å; T365-K394 WeakPolarHBondContact O-CA 3.41Å; T365-I395 PolarHBondContact N-O 3.39Å; T365-I395 PolarHBondContact O-N 3.02Å; T365-F397 HydrophobicContact CG2-CD2 4.35Å; T365-F397 HydrophobicContact CG2-CE2 3.92Å
366V97.8Very high97.3Very high8 Ų834.5 Ų34.55%0.04820%0.196CC..EExtended strand (participates in β ladder)trans-93.5122.7171.1-175.20000108.3E354 E355 K394E354-V366 HydrophobicContact CB-CB 4.26Å; E354-V366 HydrophobicContact CB-CG1 4.21Å; E354-V366 PolarHBondContact N-O 2.89Å; E355-V366 HydrophobicContact CB-CB 4.34Å; E355-V366 HydrophobicContact CB-CG2 4.25Å; E355-V366 PolarHBondContact O-N 2.97Å; V366-K394 HydrophobicContact CG2-CG 4.4Å
367I97.8Very high97.3Very high4 Ų432.5 Ų32.52%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-91.9131.7-177.3-52.4-53.4000108.9V352 V353 A373 I376 D393 I395 F419V352-I367 HydrophobicContact CG1-CG2 4.46Å; V353-I367 HydrophobicContact CG2-CD1 4.47Å; I367-A373 HydrophobicContact CB-CB 4.26Å; I367-A373 HydrophobicContact CG1-CB 3.76Å; I367-I376 HydrophobicContact CD1-CD1 4.03Å; I367-I376 HydrophobicContact CG1-CD1 4.43Å; I367-I376 HydrophobicContact CG2-CD1 4.25Å; I367-D393 WeakPolarHBondContact CB-O 3.29Å; I367-D393 WeakPolarHBondContact CG1-O 3.45Å; I367-D393 PolarHBondContact N-O 3.37Å; I367-I395 HydrophobicContact CD1-CD1 4.05Å; I367-I395 HydrophobicContact CD1-CG1 4.36Å; I367-I395 HydrophobicContact CG1-CD1 4.16Å; I367-I395 HydrophobicContact CG1-CG1 4.16Å; I367-F419 HydrophobicContact CD1-CE1 3.53Å; I367-F419 HydrophobicContact CD1-CZ 4.04Å
368R97.6Very high97.3Very high96 Ų9630.9 Ų30.936%0.36218%0.178SC..PPolyproline II helixtrans-67.7150.4179.4-72.9-169.7-178.1-74.3-1.4111.5T350 K351 V352 E354 G370 Y371T350-R368 PolarHBondContact O-NE 3.14Å; K351-R368 WeakPolarHBondContact O-CD 3.28Å; V352-R368 PolarHBondContact O-N 2.92Å; E354-R368 HydrophobicContact CB-CG 3.82Å; R368-G370 PolarHBondContact O-N 3.1Å; R368-Y371 HydrophobicContact CB-CD2 4.44Å; R368-Y371 PolarHBondContact O-N 3.41Å
369P94.7Very high97.3Very high124 Ų12432.8 Ų32.881%0.80518%0.183SC*.THydrogen-bonded Turntrans-51.9141168.7-25.334.3000112
370G94Very high97.3Very high84 Ų8430.2 Ų30.287%0.86617%0.172SC*.THydrogen-bonded Turntrans96.5-11.7-176.700000114.4R368R368-G370 PolarHBondContact O-N 3.1Å
371Y96.2Very high97.2Very high54 Ų5430.4 Ų30.421%0.21217%0.173CC..SBendtrans-112.6142.4172.6-65.3-84.1000110.8K351 V352 R368 V422K351-Y371 WeakPolarHBondContact CD-OH 3.46Å; K351-Y371 WeakPolarHBondContact CE-OH 3.19Å; K351-Y371 HydrophobicContact CG-CE2 4.32Å; K351-Y371 WeakPolarHBondContact CG-OH 3.47Å; K351-Y371 WeakPolarHBondContact O-CE2 3.2Å; V352-Y371 HydrophobicContact CB-CD1 4.42Å; V352-Y371 HydrophobicContact CB-CD2 4.46Å; V352-Y371 HydrophobicContact CB-CG 4.4Å; V352-Y371 HydrophobicContact CG1-CD1 4.02Å; V352-Y371 HydrophobicContact CG1-CD2 4.41Å; V352-Y371 HydrophobicContact CG1-CG 3.94Å; V352-Y371 HydrophobicContact CG2-CD1 3.98Å; V352-Y371 HydrophobicContact CG2-CE1 3.68Å; V352-Y371 HydrophobicContact CG2-CE2 4.28Å; V352-Y371 HydrophobicContact CG2-CG 4.4Å; R368-Y371 HydrophobicContact CB-CD2 4.44Å; R368-Y371 PolarHBondContact O-N 3.41Å; Y371-V422 HydrophobicContact CD1-CG2 4.42Å; Y371-V422 WeakPolarHBondContact CE1-O 3.34Å
372D95.4Very high97.1Very high95 Ų9534.3 Ų34.351%0.50819%0.191SC..  trans-96.1109.4179.4-173.4-4.6000110.8W374 D375 I376D372-W374 PolarHBondContact O-N 3.45Å; D372-W374 VanDerWaalsContact OD1-CB 3.24Å; D372-W374 WeakPolarHBondContact OD1-CB 3.4Å; D372-W374 PolarHBondContact OD1-N 3.13Å; D372-D375 HydrophobicContact CB-CB 3.99Å; D372-D375 PolarHBondContact O-N 3.04Å; D372-I376 PolarHBondContact O-N 3.27Å
373A96.4Very high97.1Very high1 Ų140.4 Ų40.41%0.00822%0.218CC..Hα-helixtrans-62.2-27.8177.300000112.6I367 C377 I389 G392 I395I367-A373 HydrophobicContact CB-CB 4.26Å; I367-A373 HydrophobicContact CG1-CB 3.76Å; A373-C377 PolarHBondContact O-N 2.94Å; A373-C377 VanDerWaalsContact O-N 3.09Å; A373-C377 PolarHBondContact O-SG 3.41Å; A373-I389 HydrophobicContact CB-CG2 3.61Å; A373-I389 VanDerWaalsContact O-CG2 3.29Å; A373-I389 WeakPolarHBondContact O-CG2 3.49Å; A373-G392 WeakPolarHBondContact CB-O 3.3Å; A373-I395 HydrophobicContact CB-CD1 4.22Å; A373-I395 HydrophobicContact CB-CG1 4Å
374W95.8Very high97.1Very high47 Ų4740.8 Ų40.818%0.17822%0.222CC..Hα-helixtrans-69.4-45.2176.4-177.7-111.3000111.4L42 D372 I376 C377 L378 I389L42-W374 HydrophobicContact CD2-CH2 3.75Å; L42-W374 HydrophobicContact CD2-CZ2 4.34Å; L42-W374 HydrophobicContact CD2-CZ3 3.86Å; L42-W374 HydrophobicContact CG-CH2 4.3Å; L42-W374 HydrophobicContact CG-CZ3 4.48Å; D372-W374 PolarHBondContact O-N 3.45Å; D372-W374 VanDerWaalsContact OD1-CB 3.24Å; D372-W374 WeakPolarHBondContact OD1-CB 3.4Å; D372-W374 PolarHBondContact OD1-N 3.13Å; W374-I376 VanDerWaalsContact C-N 3.27Å; W374-I376 PolarHBondContact O-N 3.28Å; W374-C377 WeakPolarHBondContact O-CB 3.28Å; W374-C377 PolarHBondContact O-N 3.25Å; W374-C377 VanDerWaalsContact O-N 3.07Å; W374-L378 HydrophobicContact CZ2-CD2 4.18Å; W374-L378 WeakPolarHBondContact O-CG 3.29Å; W374-L378 PolarHBondContact O-N 2.72Å; W374-I389 HydrophobicContact CB-CD1 4.23Å; W374-I389 HydrophobicContact CE3-CD1 3.86Å; W374-I389 HydrophobicContact CE3-CG1 4.04Å; W374-I389 HydrophobicContact CE3-CG2 4.5Å
375D96.3Very high97.1Very high62 Ų6240.8 Ų40.833%0.33222%0.222SC..Hα-helixtrans-57.8-41.6174.4-175.861.4000111.3D372 C377 L378 K379D372-D375 HydrophobicContact CB-CB 3.99Å; D372-D375 PolarHBondContact O-N 3.04Å; D375-C377 PolarHBondContact O-N 3.49Å; D375-L378 WeakPolarHBondContact O-CB 3.38Å; D375-L378 PolarHBondContact O-N 3.42Å; D375-K379 WeakPolarHBondContact O-CG 3.4Å; D375-K379 PolarHBondContact O-N 3.45Å; D375-K379 VanDerWaalsContact OD2-CE 3.24Å; D375-K379 WeakPolarHBondContact OD2-CE 3.49Å; D375-K379 IonicContact OD2-NZ 2.72Å
376I97.8Very high97.1Very high1 Ų141.4 Ų41.41%0.00523%0.225CC..Hα-helixtrans-60.4-45.2174.3-64169000110.8V352 I367 D372 W374 L378 K379 L380 I395 V418 F419 V422V352-I376 HydrophobicContact CG1-CD1 3.94Å; I367-I376 HydrophobicContact CD1-CD1 4.03Å; I367-I376 HydrophobicContact CG1-CD1 4.43Å; I367-I376 HydrophobicContact CG2-CD1 4.25Å; D372-I376 PolarHBondContact O-N 3.27Å; W374-I376 VanDerWaalsContact C-N 3.27Å; W374-I376 PolarHBondContact O-N 3.28Å; I376-L378 VanDerWaalsContact C-N 3.32Å; I376-L378 PolarHBondContact O-N 3.23Å; I376-K379 PolarHBondContact O-N 3.21Å; I376-L380 HydrophobicContact CG2-CD1 4.13Å; I376-L380 HydrophobicContact CG2-CG 4.35Å; I376-L380 WeakPolarHBondContact O-CB 3.42Å; I376-L380 VanDerWaalsContact O-CG 3.27Å; I376-L380 WeakPolarHBondContact O-CG 3.27Å; I376-L380 PolarHBondContact O-N 2.79Å; I376-I395 HydrophobicContact CB-CD1 3.72Å; I376-I395 HydrophobicContact CD1-CD1 4.35Å; I376-I395 HydrophobicContact CG2-CD1 3.45Å; I376-I395 VanDerWaalsContact CG2-CD1 3.45Å; I376-V418 HydrophobicContact CG2-CG1 4.26Å; I376-F419 HydrophobicContact CD1-CD1 4.33Å; I376-F419 HydrophobicContact CD1-CE1 4.09Å; I376-F419 HydrophobicContact CG2-CD2 3.96Å; I376-F419 HydrophobicContact CG2-CE1 4.26Å; I376-F419 HydrophobicContact CG2-CE2 3.57Å; I376-F419 HydrophobicContact CG2-CG 4.5Å; I376-F419 HydrophobicContact CG2-CZ 3.76Å; I376-V422 HydrophobicContact CD1-CG2 4.37Å; I376-V422 HydrophobicContact CG1-CG1 4.1Å; I376-V422 HydrophobicContact CG1-CG2 4.32Å
377C97.9Very high97.1Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-63.4-37.3177.5-66.70000112.6L42 A373 W374 D375 L380 A381 I389L42-C377 HydrophobicContact CD2-CB 4.13Å; A373-C377 PolarHBondContact O-N 2.94Å; A373-C377 VanDerWaalsContact O-N 3.09Å; A373-C377 PolarHBondContact O-SG 3.41Å; W374-C377 WeakPolarHBondContact O-CB 3.28Å; W374-C377 PolarHBondContact O-N 3.25Å; W374-C377 VanDerWaalsContact O-N 3.07Å; D375-C377 PolarHBondContact O-N 3.49Å; C377-L380 PolarHBondContact O-N 2.88Å; C377-A381 PolarHBondContact O-N 3.45Å; C377-I389 WeakPolarHBondContact SG-CG2 3.46Å
378L97.3Very high97Very high7 Ų742.8 Ų42.84%0.03723%0.23CC..Hα-helixtrans-63.6-47.9174.2-71.3-179.8000111.2V15 Y19 L42 P43 W374 D375 I376 L380 A381 E382V15-L378 HydrophobicContact CG1-CD1 4.02Å; Y19-L378 HydrophobicContact CE2-CD1 4.4Å; Y19-L378 HydrophobicContact CE2-CD2 4.27Å; Y19-L378 WeakPolarHBondContact OH-CB 3.41Å; L42-L378 HydrophobicContact CD2-CD2 4.17Å; P43-L378 HydrophobicContact CG-CD2 3.88Å; W374-L378 HydrophobicContact CZ2-CD2 4.18Å; W374-L378 WeakPolarHBondContact O-CG 3.29Å; W374-L378 PolarHBondContact O-N 2.72Å; D375-L378 WeakPolarHBondContact O-CB 3.38Å; D375-L378 PolarHBondContact O-N 3.42Å; I376-L378 VanDerWaalsContact C-N 3.32Å; I376-L378 PolarHBondContact O-N 3.23Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 2.83Å; L378-A381 WeakPolarHBondContact O-CB 3.1Å; L378-A381 PolarHBondContact O-N 3.4Å; L378-A381 VanDerWaalsContact O-N 3.14Å; L378-E382 WeakPolarHBondContact O-CG 3.2Å; L378-E382 PolarHBondContact O-N 3.12Å
379K98Very high96.8Very high52 Ų5239.9 Ų39.923%0.22622%0.222CC..Hα-helixtrans-63.3-36.3175.5-69.8-177.9178.1-168.10113D375 I376 E382 K383 V418 S421 V422D375-K379 WeakPolarHBondContact O-CG 3.4Å; D375-K379 PolarHBondContact O-N 3.45Å; D375-K379 VanDerWaalsContact OD2-CE 3.24Å; D375-K379 WeakPolarHBondContact OD2-CE 3.49Å; D375-K379 IonicContact OD2-NZ 2.72Å; I376-K379 PolarHBondContact O-N 3.21Å; K379-E382 WeakPolarHBondContact O-CB 3.12Å; K379-E382 PolarHBondContact O-N 2.97Å; K379-K383 WeakPolarHBondContact O-CG 3.47Å; K379-K383 PolarHBondContact O-N 2.99Å; K379-V418 HydrophobicContact CB-CG1 3.52Å; K379-V418 HydrophobicContact CB-CG2 4.46Å; K379-S421 PolarHBondContact NZ-O 3Å; K379-V422 HydrophobicContact CD-CG1 3.88Å
380L98.5Very high96.4Very high0 Ų034.6 Ų34.60%019%0.187CC..Hα-helixtrans-59.9-46.6171.6-74.3171.9000110.6I376 C377 L378 E382 K383 G384 V385 A387 F397 I415 V418I376-L380 HydrophobicContact CG2-CD1 4.13Å; I376-L380 HydrophobicContact CG2-CG 4.35Å; I376-L380 WeakPolarHBondContact O-CB 3.42Å; I376-L380 VanDerWaalsContact O-CG 3.27Å; I376-L380 WeakPolarHBondContact O-CG 3.27Å; I376-L380 PolarHBondContact O-N 2.79Å; C377-L380 PolarHBondContact O-N 2.88Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 2.83Å; L380-E382 VanDerWaalsContact C-N 3.32Å; L380-E382 PolarHBondContact O-N 3.03Å; L380-K383 CarbonylContact O-C 3.33Å; L380-K383 WeakPolarHBondContact O-CA 3.47Å; L380-K383 PolarHBondContact O-N 3.39Å; L380-G384 PolarHBondContact O-N 3.42Å; L380-V385 CarbonylContact C-O 3.52Å; L380-V385 HydrophobicContact CB-CB 4.36Å; L380-V385 WeakPolarHBondContact CB-O 3.34Å; L380-V385 HydrophobicContact CD2-CB 4.4Å; L380-V385 PolarHBondContact O-N 3.43Å; L380-V385 VanDerWaalsContact O-O 3.11Å; L380-A387 HydrophobicContact CD1-CB 4.12Å; L380-F397 HydrophobicContact CD1-CE1 3.99Å; L380-F397 HydrophobicContact CD1-CZ 3.98Å; L380-I415 HydrophobicContact CD2-CB 4.21Å; L380-I415 HydrophobicContact CD2-CG1 3.83Å; L380-I415 HydrophobicContact CD2-CG2 4.42Å; L380-V418 HydrophobicContact CD2-CB 3.89Å; L380-V418 HydrophobicContact CD2-CG1 4.01Å; L380-V418 HydrophobicContact CD2-CG2 4.04Å; L380-V418 HydrophobicContact CG-CB 4.4Å; L380-V418 HydrophobicContact CG-CG1 3.97Å
381A97.6Very high96Very high3 Ų336 Ų363%0.02517%0.171CC..Hα-helixtrans-63-38176.100000111.7V44 K60 Y62 C377 L378 K383 G384 V385 L386V44-A381 HydrophobicContact CG2-CB 4.3Å; K60-A381 PolarHBondContact NZ-O 3.03Å; K60-A381 VanDerWaalsContact NZ-O 3.14Å; Y62-A381 HydrophobicContact CE1-CB 4.44Å; Y62-A381 WeakPolarHBondContact CE1-O 3.4Å; C377-A381 PolarHBondContact O-N 3.45Å; L378-A381 WeakPolarHBondContact O-CB 3.1Å; L378-A381 PolarHBondContact O-N 3.4Å; L378-A381 VanDerWaalsContact O-N 3.14Å; A381-K383 PolarHBondContact O-N 3.36Å; A381-G384 PolarHBondContact O-N 2.87Å; A381-G384 VanDerWaalsContact O-N 3.13Å; A381-V385 WeakPolarHBondContact CA-O 3.47Å; A381-V385 PolarHBondContact N-O 2.85Å; A381-V385 VanDerWaalsContact N-O 3.11Å; A381-L386 HydrophobicContact CB-CD2 3.83Å
382E96.7Very high95.6Very high83 Ų8335.6 Ų35.639%0.38818%0.183SC..Hα-helixtrans-59-34.1172.1-67.9-178.6-179.900112.6Y19 K60 L378 K379 L380Y19-E382 HydrophobicContact CE1-CG 3.52Å; Y19-E382 WeakPolarHBondContact CE1-OE1 3.43Å; Y19-E382 VanDerWaalsContact CZ-OE1 3.24Å; Y19-E382 PolarHBondContact OH-OE1 3.32Å; K60-E382 VanDerWaalsContact NZ-C 3.29Å; K60-E382 PolarHBondContact NZ-O 3.1Å; L378-E382 WeakPolarHBondContact O-CG 3.2Å; L378-E382 PolarHBondContact O-N 3.12Å; K379-E382 WeakPolarHBondContact O-CB 3.12Å; K379-E382 PolarHBondContact O-N 2.97Å; L380-E382 VanDerWaalsContact C-N 3.32Å; L380-E382 PolarHBondContact O-N 3.03Å
383K98.1Very high95.6Very high128 Ų12833.9 Ų33.956%0.55717%0.173SC*.THydrogen-bonded Turntrans-93.25.8178.4-61.8-66-172.2168.40114.3K379 L380 A381 I414 V418K379-K383 WeakPolarHBondContact O-CG 3.47Å; K379-K383 PolarHBondContact O-N 2.99Å; L380-K383 CarbonylContact O-C 3.33Å; L380-K383 WeakPolarHBondContact O-CA 3.47Å; L380-K383 PolarHBondContact O-N 3.39Å; A381-K383 PolarHBondContact O-N 3.36Å; K383-I414 HydrophobicContact CB-CG2 3.42Å; K383-I414 VanDerWaalsContact CB-CG2 3.42Å; K383-I414 HydrophobicContact CG-CG2 4.47Å; K383-V418 HydrophobicContact CB-CG2 4.01Å; K383-V418 HydrophobicContact CG-CG2 3.6Å
384G98Very high95.6Very high8 Ų835.3 Ų35.38%0.08218%0.18CC..THydrogen-bonded Turntrans88.525.7173.900000114.9Y62 F63 L380 A381Y62-G384 CarbonylContact C-O 3.47Å; Y62-G384 WeakPolarHBondContact CA-O 3.23Å; F63-G384 PolarHBondContact N-O 2.89Å; L380-G384 PolarHBondContact O-N 3.42Å; A381-G384 PolarHBondContact O-N 2.87Å; A381-G384 VanDerWaalsContact O-N 3.13Å
385V98.8Very high95.7Very high0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-124.1123.9171.91770000109.3F63 F65 L380 A381 I414 I415F63-V385 HydrophobicContact CB-CG2 4.31Å; F63-V385 HydrophobicContact CD2-CG2 4.36Å; F65-V385 HydrophobicContact CB-CG1 4.17Å; F65-V385 HydrophobicContact CD2-CG1 4.05Å; F65-V385 HydrophobicContact CG-CG1 4.15Å; L380-V385 CarbonylContact C-O 3.52Å; L380-V385 HydrophobicContact CB-CB 4.36Å; L380-V385 WeakPolarHBondContact CB-O 3.34Å; L380-V385 HydrophobicContact CD2-CB 4.4Å; L380-V385 PolarHBondContact O-N 3.43Å; L380-V385 VanDerWaalsContact O-O 3.11Å; A381-V385 WeakPolarHBondContact CA-O 3.47Å; A381-V385 PolarHBondContact N-O 2.85Å; A381-V385 VanDerWaalsContact N-O 3.11Å; V385-I414 HydrophobicContact CG2-CB 4.08Å; V385-I414 HydrophobicContact CG2-CD1 4.27Å; V385-I414 HydrophobicContact CG2-CG2 3.67Å; V385-I415 HydrophobicContact CG1-CD1 4.42Å; V385-I415 HydrophobicContact CG1-CG1 4.25Å
386L98.6Very high95.7Very high12 Ų1230.2 Ų30.26%0.06316%0.156CC..EExtended strand (participates in β ladder)trans-97.6112.3175.5-61.3178.7000110.2L42 V44 L46 V54 Y62 F63 F65 L66 A381L42-L386 HydrophobicContact CD1-CD2 4.08Å; V44-L386 HydrophobicContact CB-CD2 4.47Å; V44-L386 HydrophobicContact CG1-CD1 4.43Å; V44-L386 HydrophobicContact CG1-CD2 4.37Å; V44-L386 HydrophobicContact CG2-CD2 4.01Å; L46-L386 HydrophobicContact CD1-CD1 4.17Å; L46-L386 HydrophobicContact CD2-CD1 4.06Å; V54-L386 HydrophobicContact CG2-CD1 3.63Å; Y62-L386 HydrophobicContact CD1-CD1 4.24Å; Y62-L386 HydrophobicContact CD1-CD2 3.55Å; Y62-L386 HydrophobicContact CD1-CG 3.7Å; Y62-L386 HydrophobicContact CE1-CD2 3.86Å; Y62-L386 HydrophobicContact CE1-CG 4.47Å; Y62-L386 HydrophobicContact CG-CD1 4.02Å; Y62-L386 HydrophobicContact CG-CD2 4.18Å; Y62-L386 HydrophobicContact CG-CG 3.89Å; F63-L386 PolarHBondContact O-N 2.67Å; F65-L386 CarbonylContact C-O 3.6Å; F65-L386 VanDerWaalsContact C-O 3.29Å; F65-L386 VanDerWaalsContact CA-O 3.23Å; F65-L386 WeakPolarHBondContact CA-O 3.28Å; F65-L386 VanDerWaalsContact CB-O 3.29Å; F65-L386 WeakPolarHBondContact CB-O 3.05Å; F65-L386 PolarHBondContact N-O 2.88Å; L66-L386 PolarHBondContact N-O 2.83Å; A381-L386 HydrophobicContact CB-CD2 3.83Å
387A97.8Very high95.7Very high0 Ų030.2 Ų30.20%016%0.156CC..  trans-134.5159.8171.300000108.8F65 L380 I395 F397F65-A387 HydrophobicContact CB-CB 4.47Å; L380-A387 HydrophobicContact CD1-CB 4.12Å; A387-I395 HydrophobicContact CB-CG2 3.83Å; A387-F397 HydrophobicContact CB-CD1 3.93Å; A387-F397 HydrophobicContact CB-CE1 3.67Å; A387-F397 HydrophobicContact CB-CZ 4.32Å
388K94.8Very high95.7Very high42 Ų4230.2 Ų30.218%0.18316%0.156CC..EExtended strand (participates in β ladder)trans-131.6145.4-175.3-163.3178.8179.1-67.80112L66 Y69 R396L66-K388 HydrophobicContact CD1-CB 3.95Å; L66-K388 HydrophobicContact CD2-CB 4.19Å; L66-K388 HydrophobicContact CD2-CD 4.38Å; Y69-K388 WeakPolarHBondContact OH-CD 3.43Å; Y69-K388 VanDerWaalsContact OH-CE 3.24Å; Y69-K388 WeakPolarHBondContact OH-CE 3.5Å; K388-R396 PolarHBondContact O-N 3.23Å; K388-R396 VanDerWaalsContact O-N 3.07Å
389I93.5Very high95.8Very high35 Ų3529.9 Ų29.918%0.17915%0.154CC..EExtended strand (participates in β ladder)trans-68.7151.4170.369173.7000112.4A373 W374 C377 K394 I395A373-I389 HydrophobicContact CB-CG2 3.61Å; A373-I389 VanDerWaalsContact O-CG2 3.29Å; A373-I389 WeakPolarHBondContact O-CG2 3.49Å; W374-I389 HydrophobicContact CB-CD1 4.23Å; W374-I389 HydrophobicContact CE3-CD1 3.86Å; W374-I389 HydrophobicContact CE3-CG1 4.04Å; W374-I389 HydrophobicContact CE3-CG2 4.5Å; C377-I389 WeakPolarHBondContact SG-CG2 3.46Å; I389-K394 CarbonylContact C-O 3.29Å; I389-K394 WeakPolarHBondContact CA-O 3.23Å; I389-I395 HydrophobicContact CG2-CG1 4.29Å
390T88.1Confident95.8Very high12 Ų1227.4 Ų27.47%0.07414%0.143CC..EExtended strand (participates in β ladder)trans-132.3127.6173-58.80000108.4E220 G392 K394E220-T390 WeakPolarHBondContact O-CG2 3.47Å; T390-G392 PolarHBondContact O-N 2.95Å; T390-K394 PolarHBondContact N-O 3.42Å; T390-K394 PolarHBondContact O-N 3.19Å
391H85.2Confident95.9Very high114 Ų11427.4 Ų27.453%0.52814%0.143SC..THydrogen-bonded Turntrans49.426.8-179.1-62.3-66.2000116.1D174 E220 D393D174-H391 IonicContact OD2-CE1 3.62Å; E220-H391 PolarHBondContact O-CD2 3.08Å; E220-H391 PolarHBondContact O-NE2 2.83Å; H391-D393 PolarHBondContact O-N 3.06Å
392G87.2Confident95.9Very high45 Ų4529.4 Ų29.446%0.46415%0.153SC..THydrogen-bonded Turntrans93.9-34.8169.800000115.8A373 T390A373-G392 WeakPolarHBondContact CB-O 3.3Å; T390-G392 PolarHBondContact O-N 2.95Å
393D94.5Very high96Very high59 Ų5925.4 Ų25.432%0.31613%0.134SC..THydrogen-bonded Turntrans-124.15.3-169.769.5-29.6000114.1I367 H391I367-D393 WeakPolarHBondContact CB-O 3.29Å; I367-D393 WeakPolarHBondContact CG1-O 3.45Å; I367-D393 PolarHBondContact N-O 3.37Å; H391-D393 PolarHBondContact O-N 3.06Å
394K96.5Very high96.1Very high32 Ų3222.3 Ų22.314%0.13913%0.126CC..EExtended strand (participates in β ladder)trans-122.5133.6-177.6-57.1167.1-151.2-24.30109.4T365 V366 I389 T390T365-K394 CarbonylContact O-C 3.59Å; T365-K394 VanDerWaalsContact O-CA 3.3Å; T365-K394 WeakPolarHBondContact O-CA 3.41Å; V366-K394 HydrophobicContact CG2-CG 4.4Å; I389-K394 CarbonylContact C-O 3.29Å; I389-K394 WeakPolarHBondContact CA-O 3.23Å; T390-K394 PolarHBondContact N-O 3.42Å; T390-K394 PolarHBondContact O-N 3.19Å
395I97.8Very high96.1Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-110123.1174-55.5178.1000108.1A364 T365 I367 A373 I376 A387 I389 F397 F419A364-I395 CarbonylContact C-O 3.59Å; A364-I395 WeakPolarHBondContact CA-O 3.35Å; A364-I395 WeakPolarHBondContact CB-O 3.26Å; T365-I395 PolarHBondContact N-O 3.39Å; T365-I395 PolarHBondContact O-N 3.02Å; I367-I395 HydrophobicContact CD1-CD1 4.05Å; I367-I395 HydrophobicContact CD1-CG1 4.36Å; I367-I395 HydrophobicContact CG1-CD1 4.16Å; I367-I395 HydrophobicContact CG1-CG1 4.16Å; A373-I395 HydrophobicContact CB-CD1 4.22Å; A373-I395 HydrophobicContact CB-CG1 4Å; I376-I395 HydrophobicContact CB-CD1 3.72Å; I376-I395 HydrophobicContact CD1-CD1 4.35Å; I376-I395 HydrophobicContact CG2-CD1 3.45Å; I376-I395 VanDerWaalsContact CG2-CD1 3.45Å; A387-I395 HydrophobicContact CB-CG2 3.83Å; I389-I395 HydrophobicContact CG2-CG1 4.29Å; I395-F397 HydrophobicContact CB-CE2 3.99Å; I395-F397 HydrophobicContact CB-CZ 4.33Å; I395-F397 HydrophobicContact CG2-CD2 4.35Å; I395-F397 HydrophobicContact CG2-CE1 4.26Å; I395-F397 HydrophobicContact CG2-CE2 3.62Å; I395-F397 HydrophobicContact CG2-CZ 3.57Å; I395-F419 HydrophobicContact CD1-CZ 4.01Å
396R97.5Very high96.1Very high2 Ų233.3 Ų33.31%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-93.8137.2179.4-166.9178.262.1-154.6-13.6111.4L66 E220 V223 Q251 N363 K388L66-R396 VanDerWaalsContact CD1-NH2 3.31Å; E220-R396 IonicContact OE1-CZ 2.83Å; E220-R396 IonicContact OE1-NH1 2.7Å; E220-R396 PolarHBondContact OE1-NH1 3.06Å; E220-R396 IonicContact OE1-NH2 2.98Å; E220-R396 IonicContact OE2-NH1 3.44Å; V223-R396 HydrophobicContact CG2-CG 3.94Å; Q251-R396 VanDerWaalsContact NE2-NH1 3.18Å; N363-R396 WeakPolarHBondContact O-CA 3.41Å; N363-R396 WeakPolarHBondContact O-CG 3.26Å; K388-R396 PolarHBondContact O-N 3.23Å; K388-R396 VanDerWaalsContact O-N 3.07Å
397F98.3Very high96.1Very high0 Ų034.9 Ų34.90%018%0.183CC..EExtended strand (participates in β ladder)trans-123.499177.9-65.8-78.5000109.1F65 F341 N363 T365 L380 A387 I395 I415 F419F65-F397 HydrophobicContact CB-CD1 4.14Å; F65-F397 HydrophobicContact CD1-CB 3.94Å; F65-F397 AromaticContact CD1-CD1 3.71Å; F65-F397 HydrophobicContact CD1-CD1 3.71Å; F65-F397 HydrophobicContact CD1-CG 4.29Å; F65-F397 HydrophobicContact CG-CD1 4.28Å; F341-F397 HydrophobicContact CE1-CB 4.08Å; F341-F397 HydrophobicContact CE1-CD2 4.5Å; F341-F397 HydrophobicContact CE1-CG 4.45Å; F341-F397 HydrophobicContact CE2-CB 4.04Å; F341-F397 HydrophobicContact CE2-CD1 4.39Å; F341-F397 HydrophobicContact CE2-CG 4.14Å; F341-F397 HydrophobicContact CZ-CB 3.49Å; F341-F397 VanDerWaalsContact CZ-CB 3.49Å; F341-F397 HydrophobicContact CZ-CD1 4.19Å; F341-F397 AromaticContact CZ-CD2 3.78Å; F341-F397 HydrophobicContact CZ-CD2 3.78Å; F341-F397 AromaticContact CZ-CG 3.55Å; F341-F397 HydrophobicContact CZ-CG 3.55Å; N363-F397 HydrophobicContact CB-CB 4.35Å; N363-F397 PolarHBondContact N-O 3.14Å; N363-F397 VanDerWaalsContact N-O 3.09Å; N363-F397 PolarHBondContact O-N 3.49Å; T365-F397 HydrophobicContact CG2-CD2 4.35Å; T365-F397 HydrophobicContact CG2-CE2 3.92Å; L380-F397 HydrophobicContact CD1-CE1 3.99Å; L380-F397 HydrophobicContact CD1-CZ 3.98Å; A387-F397 HydrophobicContact CB-CD1 3.93Å; A387-F397 HydrophobicContact CB-CE1 3.67Å; A387-F397 HydrophobicContact CB-CZ 4.32Å; I395-F397 HydrophobicContact CB-CE2 3.99Å; I395-F397 HydrophobicContact CB-CZ 4.33Å; I395-F397 HydrophobicContact CG2-CD2 4.35Å; I395-F397 HydrophobicContact CG2-CE1 4.26Å; I395-F397 HydrophobicContact CG2-CE2 3.62Å; I395-F397 HydrophobicContact CG2-CZ 3.57Å; F397-I415 HydrophobicContact CD1-CD1 3.92Å; F397-I415 HydrophobicContact CE1-CD1 3.71Å; F397-I415 HydrophobicContact CE1-CG1 4.04Å; F397-I415 HydrophobicContact CE1-CG2 4.31Å; F397-I415 HydrophobicContact CZ-CG2 4.13Å; F397-F419 HydrophobicContact CZ-CE2 4.21Å; F397-F419 HydrophobicContact CZ-CZ 4.49Å
398S97.9Very high96.2Very high0 Ų034.9 Ų34.90%018%0.183CC..  trans-134.575-179.6580000111.6F65 L66 S67 L361F65-S398 CarbonylContact C-O 3.59Å; F65-S398 CarbonylContact O-C 3.22Å; F65-S398 PolarHBondContact O-N 3.15Å; L66-S398 CarbonylContact C-O 3.54Å; L66-S398 PolarHBondContact O-OG 3.15Å; L66-S398 VanDerWaalsContact O-OG 3.09Å; S67-S398 WeakPolarHBondContact CB-O 3.45Å; S67-S398 PolarHBondContact OG-O 2.91Å; L361-S398 VanDerWaalsContact O-CA 3.25Å; L361-S398 WeakPolarHBondContact O-CA 3.26Å
399P98.7Very high96.3Very high1 Ų136.4 Ų36.41%0.00619%0.192CC..  trans-74166.9178.632.2-36000112.4D64 F65 S67 R256 L361 I403 M408D64-P399 VanDerWaalsContact O-CA 3.24Å; D64-P399 WeakPolarHBondContact O-CA 3.11Å; D64-P399 WeakPolarHBondContact O-CB 3.39Å; F65-P399 HydrophobicContact CD1-CB 4.16Å; F65-P399 HydrophobicContact CD1-CG 3.98Å; F65-P399 HydrophobicContact CD2-CB 3.99Å; F65-P399 HydrophobicContact CE1-CB 4.27Å; F65-P399 HydrophobicContact CE1-CG 3.86Å; F65-P399 HydrophobicContact CE2-CB 4.06Å; F65-P399 HydrophobicContact CE2-CG 4.46Å; F65-P399 HydrophobicContact CG-CB 4.05Å; F65-P399 HydrophobicContact CG-CG 4.38Å; F65-P399 HydrophobicContact CZ-CB 4.21Å; F65-P399 HydrophobicContact CZ-CG 4.11Å; S67-P399 WeakPolarHBondContact OG-CA 3.41Å; R256-P399 VanDerWaalsContact CZ-O 3.3Å; R256-P399 PolarHBondContact NH1-O 3.32Å; R256-P399 PolarHBondContact NH2-O 3.3Å; L361-P399 HydrophobicContact CD1-CG 4.47Å; L361-P399 HydrophobicContact CD2-CG 3.97Å; P399-I403 HydrophobicContact CB-CD1 4.19Å; P399-I403 HydrophobicContact CG-CD1 4.37Å; P399-I403 HydrophobicContact CG-CG2 4.46Å; P399-M408 HydrophobicContact CG-CE 4.17Å
400P98.8Very high96.6Very high0 Ų039.7 Ų39.70%021%0.207CC..  trans-57.8149.5172.6-27.938.2000111.8V52 D64 S67 L72 I402 I403V52-P400 HydrophobicContact CG1-CB 4.19Å; V52-P400 HydrophobicContact CG1-CG 4.43Å; D64-P400 VanDerWaalsContact O-CD 3.23Å; D64-P400 WeakPolarHBondContact O-CD 3.41Å; S67-P400 WeakPolarHBondContact OG-CD 3.37Å; L72-P400 VanDerWaalsContact O-CB 3.32Å; L72-P400 WeakPolarHBondContact O-CB 3.3Å; P400-I402 HydrophobicContact CB-CG1 4.08Å; P400-I402 PolarHBondContact O-N 2.91Å; P400-I403 WeakPolarHBondContact O-CG2 3.47Å; P400-I403 PolarHBondContact O-N 3.05Å
401L98.9Very high97.1Very high0 Ų039.1 Ų39.10%020%0.203CC..THydrogen-bonded Turntrans-74.3-11.6-174-51.9-171.8000113.2N73 L330 N333 L361 I403N73-L401 HydrophobicContact CB-CD1 3.67Å; N73-L401 HydrophobicContact CB-CG 3.72Å; N73-L401 WeakPolarHBondContact O-CA 3.41Å; N73-L401 VanDerWaalsContact O-CB 3.31Å; N73-L401 WeakPolarHBondContact O-CB 3.27Å; N73-L401 PolarHBondContact O-N 2.96Å; L330-L401 HydrophobicContact CB-CB 3.94Å; L330-L401 HydrophobicContact CB-CD1 4.03Å; L330-L401 HydrophobicContact CD1-CB 4.41Å; N333-L401 PolarHBondContact ND2-O 3.45Å; L361-L401 HydrophobicContact CB-CD2 3.84Å; L361-L401 HydrophobicContact CD1-CD2 3.74Å; L361-L401 HydrophobicContact CG-CD2 4.35Å; L401-I403 PolarHBondContact O-N 3.44Å
402I98.7Very high97.8Very high44 Ų4433.7 Ų33.723%0.22618%0.178CC..THydrogen-bonded Turntrans-81.72.3175.462.3163.1000113.3V52 L330 P400 T404V52-I402 HydrophobicContact CG1-CD1 4.41Å; V52-I402 HydrophobicContact CG1-CG1 3.91Å; L330-I402 HydrophobicContact CD1-CG2 4.36Å; L330-I402 HydrophobicContact CD2-CG2 3.58Å; P400-I402 HydrophobicContact CB-CG1 4.08Å; P400-I402 PolarHBondContact O-N 2.91Å; I402-T404 PolarHBondContact O-N 3.25Å
403I98.8Very high98.3Very high0 Ų037.9 Ų37.90%018%0.184CC..  trans-60.2133-179.4-166.6166.8000111.1V52 F65 N333 M337 L361 P399 P400 L401 Q407 M408V52-I403 HydrophobicContact CG1-CB 3.76Å; V52-I403 HydrophobicContact CG1-CG1 4.13Å; F65-I403 HydrophobicContact CE2-CD1 4.06Å; F65-I403 HydrophobicContact CZ-CD1 3.99Å; N333-I403 PolarHBondContact ND2-O 3.25Å; M337-I403 HydrophobicContact CB-CG2 4.15Å; M337-I403 HydrophobicContact CG-CG2 3.99Å; M337-I403 WeakPolarHBondContact CG-O 3.27Å; L361-I403 HydrophobicContact CD1-CG2 3.82Å; P399-I403 HydrophobicContact CB-CD1 4.19Å; P399-I403 HydrophobicContact CG-CD1 4.37Å; P399-I403 HydrophobicContact CG-CG2 4.46Å; P400-I403 WeakPolarHBondContact O-CG2 3.47Å; P400-I403 PolarHBondContact O-N 3.05Å; L401-I403 PolarHBondContact O-N 3.44Å; I403-Q407 HydrophobicContact CD1-CB 4.32Å; I403-Q407 HydrophobicContact CG1-CB 3.72Å; I403-M408 HydrophobicContact CD1-CB 4.35Å; I403-M408 HydrophobicContact CD1-CE 3.95Å; I403-M408 HydrophobicContact CD1-SD 4.42Å; I403-M408 HydrophobicContact CG1-CB 4.46Å; I403-M408 HydrophobicContact CG2-CE 3.77Å
404T98.8Very high98.5Very high62 Ų6236.4 Ų36.438%0.3818%0.176SC..  trans-84.8164.2178.271.50000111.4I402 E406 Q407 M408I402-T404 PolarHBondContact O-N 3.25Å; T404-E406 VanDerWaalsContact C-N 3.35Å; T404-E406 PolarHBondContact O-N 2.93Å; T404-Q407 VanDerWaalsContact N-OE1 3.14Å; T404-Q407 PolarHBondContact O-N 3.41Å; T404-Q407 WeakPolarHBondContact OG1-CB 3.44Å; T404-Q407 VanDerWaalsContact OG1-CG 3.27Å; T404-Q407 WeakPolarHBondContact OG1-CG 3.43Å; T404-Q407 PolarHBondContact OG1-N 3.32Å; T404-Q407 PolarHBondContact OG1-OE1 3.42Å; T404-M408 WeakPolarHBondContact O-CB 3.31Å; T404-M408 PolarHBondContact O-N 2.9Å
405E98.8Very high98.6Very high85 Ų8534.9 Ų34.940%0.39717%0.169SC..Hα-helixtrans-60.5-43.5176.9-173.6162.916200112.4K336 M337 I340 M408 L409K336-E405 VanDerWaalsContact CE-OE2 3.31Å; K336-E405 WeakPolarHBondContact CE-OE2 3.31Å; K336-E405 IonicContact NZ-OE2 2.81Å; K336-E405 PolarHBondContact NZ-OE2 2.7Å; M337-E405 HydrophobicContact CE-CB 3.95Å; M337-E405 HydrophobicContact CE-CG 4.43Å; M337-E405 VanDerWaalsContact SD-CA 3.6Å; M337-E405 HydrophobicContact SD-CB 4.18Å; I340-E405 HydrophobicContact CD1-CG 3.69Å; E405-M408 PolarHBondContact O-N 3.33Å; E405-L409 HydrophobicContact CG-CD1 4.25Å; E405-L409 VanDerWaalsContact O-CG 3.3Å; E405-L409 WeakPolarHBondContact O-CG 3.42Å; E405-L409 PolarHBondContact O-N 3.19Å
406E98.8Very high98.6Very high154 Ų15436.6 Ų36.672%0.7218%0.178SC*.Hα-helixtrans-58.5-49.9175.5-177.5-176.1-179.500111.7T404 M408 L409 E410T404-E406 VanDerWaalsContact C-N 3.35Å; T404-E406 PolarHBondContact O-N 2.93Å; E406-M408 VanDerWaalsContact C-N 3.32Å; E406-M408 PolarHBondContact O-N 2.67Å; E406-L409 PolarHBondContact O-N 3.11Å; E406-E410 WeakPolarHBondContact O-CB 3.5Å; E406-E410 PolarHBondContact O-N 3.44Å
407Q98.8Very high98.7Very high46 Ų4641.1 Ų41.122%0.21520%0.199CC..Hα-helixtrans-61.8-40.2177.5-76170.2-4.300112.2F53 F63 I403 T404 A411F53-Q407 HydrophobicContact CZ-CG 4.33Å; F63-Q407 HydrophobicContact CE1-CB 3.84Å; F63-Q407 HydrophobicContact CE1-CG 4.16Å; F63-Q407 HydrophobicContact CZ-CB 4.42Å; I403-Q407 HydrophobicContact CD1-CB 4.32Å; I403-Q407 HydrophobicContact CG1-CB 3.72Å; T404-Q407 VanDerWaalsContact N-OE1 3.14Å; T404-Q407 PolarHBondContact O-N 3.41Å; T404-Q407 WeakPolarHBondContact OG1-CB 3.44Å; T404-Q407 VanDerWaalsContact OG1-CG 3.27Å; T404-Q407 WeakPolarHBondContact OG1-CG 3.43Å; T404-Q407 PolarHBondContact OG1-N 3.32Å; T404-Q407 PolarHBondContact OG1-OE1 3.42Å; Q407-A411 WeakPolarHBondContact O-CB 3.27Å; Q407-A411 PolarHBondContact O-N 3.09Å
408M98.9Very high98.7Very high0 Ų041.2 Ų41.20%020%0.2CC..Hα-helixtrans-63.4-47176.9-178.957.87700111.1F65 M337 I340 F341 L361 P399 I403 T404 E405 E406 A411 C412F65-M408 HydrophobicContact CE1-SD 4.25Å; F65-M408 HydrophobicContact CZ-SD 4.05Å; M337-M408 HydrophobicContact CB-CE 3.99Å; M337-M408 HydrophobicContact SD-CB 4.13Å; I340-M408 HydrophobicContact CG2-CG 4.16Å; F341-M408 HydrophobicContact CB-CE 4.23Å; F341-M408 HydrophobicContact CB-SD 3.87Å; F341-M408 HydrophobicContact CD2-SD 3.77Å; F341-M408 HydrophobicContact CG-SD 4.29Å; L361-M408 HydrophobicContact CD2-CE 3.46Å; L361-M408 VanDerWaalsContact CD2-CE 3.46Å; P399-M408 HydrophobicContact CG-CE 4.17Å; I403-M408 HydrophobicContact CD1-CB 4.35Å; I403-M408 HydrophobicContact CD1-CE 3.95Å; I403-M408 HydrophobicContact CD1-SD 4.42Å; I403-M408 HydrophobicContact CG1-CB 4.46Å; I403-M408 HydrophobicContact CG2-CE 3.77Å; T404-M408 WeakPolarHBondContact O-CB 3.31Å; T404-M408 PolarHBondContact O-N 2.9Å; E405-M408 PolarHBondContact O-N 3.33Å; E406-M408 VanDerWaalsContact C-N 3.32Å; E406-M408 PolarHBondContact O-N 2.67Å; M408-A411 PolarHBondContact O-N 3.31Å; M408-C412 VanDerWaalsContact O-CB 3.32Å; M408-C412 WeakPolarHBondContact O-CB 3.3Å; M408-C412 PolarHBondContact O-N 3.49Å; M408-C412 PolarHBondContact O-SG 3Å
409L98.8Very high98.7Very high73 Ų7341.2 Ų41.238%0.38220%0.2SC..Hα-helixtrans-64.9-39.7179-68.6173.3000112I340 E344 E405 E406 C412 K413I340-L409 HydrophobicContact CG2-CD2 3.89Å; E344-L409 HydrophobicContact CG-CD2 3.98Å; E405-L409 HydrophobicContact CG-CD1 4.25Å; E405-L409 VanDerWaalsContact O-CG 3.3Å; E405-L409 WeakPolarHBondContact O-CG 3.42Å; E405-L409 PolarHBondContact O-N 3.19Å; E406-L409 PolarHBondContact O-N 3.11Å; L409-C412 PolarHBondContact O-N 3.29Å; L409-K413 PolarHBondContact O-N 3.25Å
410E98.8Very high98.6Very high104 Ų10443.8 Ų43.849%0.48622%0.221SC..Hα-helixtrans-59.2-50.5173.6-174-173.9171.600111.3F63 E406 K413 I414F63-E410 HydrophobicContact CE2-CB 4.43Å; F63-E410 HydrophobicContact CE2-CG 4.04Å; F63-E410 HydrophobicContact CZ-CB 4.16Å; F63-E410 HydrophobicContact CZ-CG 4.14Å; F63-E410 WeakPolarHBondContact CZ-OE2 3.34Å; E406-E410 WeakPolarHBondContact O-CB 3.5Å; E406-E410 PolarHBondContact O-N 3.44Å; E410-K413 WeakPolarHBondContact O-CB 3.41Å; E410-K413 PolarHBondContact O-N 3.28Å; E410-I414 PolarHBondContact O-N 3.41Å
411A98.8Very high98.6Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-64.1-41.5178.300000112.3F63 F65 Q407 M408 K413 I414 I415F63-A411 HydrophobicContact CD1-CB 4.27Å; F63-A411 HydrophobicContact CD2-CB 4.03Å; F63-A411 HydrophobicContact CE1-CB 4.44Å; F63-A411 HydrophobicContact CE2-CB 4.21Å; F63-A411 HydrophobicContact CG-CB 4.06Å; F63-A411 HydrophobicContact CZ-CB 4.41Å; F65-A411 HydrophobicContact CE2-CB 3.45Å; F65-A411 VanDerWaalsContact CE2-CB 3.45Å; F65-A411 HydrophobicContact CZ-CB 3.44Å; F65-A411 VanDerWaalsContact CZ-CB 3.44Å; Q407-A411 WeakPolarHBondContact O-CB 3.27Å; Q407-A411 PolarHBondContact O-N 3.09Å; M408-A411 PolarHBondContact O-N 3.31Å; A411-K413 VanDerWaalsContact C-N 3.32Å; A411-K413 PolarHBondContact O-N 3.5Å; A411-I414 PolarHBondContact O-N 3.46Å; A411-I415 VanDerWaalsContact O-CG1 3.26Å; A411-I415 WeakPolarHBondContact O-CG1 3.34Å; A411-I415 PolarHBondContact O-N 3.14Å
412C98.8Very high98.4Very high1 Ų148.2 Ų48.21%0.00725%0.25CS..Hα-helixtrans-58.7-42.4175.7-770000112E344 M345 M408 L409 I414 I415 I416E344-C412 HydrophobicContact CB-CB 3.82Å; E344-C412 HydrophobicContact CG-CB 4.03Å; M345-C412 HydrophobicContact CE-CB 3.83Å; M408-C412 VanDerWaalsContact O-CB 3.32Å; M408-C412 WeakPolarHBondContact O-CB 3.3Å; M408-C412 PolarHBondContact O-N 3.49Å; M408-C412 PolarHBondContact O-SG 3Å; L409-C412 PolarHBondContact O-N 3.29Å; C412-I414 PolarHBondContact O-N 2.95Å; C412-I415 PolarHBondContact O-N 2.86Å; C412-I416 WeakPolarHBondContact O-CD1 3.49Å; C412-I416 VanDerWaalsContact O-CG1 3.28Å; C412-I416 WeakPolarHBondContact O-CG1 3.39Å; C412-I416 PolarHBondContact O-N 3.37Å
413K98.7Very high97.9Very high133 Ų13351.2 Ų51.258%0.57827%0.271SS*.Hα-helixtrans-58.8-47.4176-178.8-179.2174.4-177.40111.3L409 E410 A411 I415 I416 E417L409-K413 PolarHBondContact O-N 3.25Å; E410-K413 WeakPolarHBondContact O-CB 3.41Å; E410-K413 PolarHBondContact O-N 3.28Å; A411-K413 VanDerWaalsContact C-N 3.32Å; A411-K413 PolarHBondContact O-N 3.5Å; K413-I415 VanDerWaalsContact C-N 3.33Å; K413-I415 PolarHBondContact O-N 2.93Å; K413-I416 PolarHBondContact O-N 3.24Å; K413-E417 WeakPolarHBondContact CE-OE1 3.05Å; K413-E417 WeakPolarHBondContact O-CG 3.34Å; K413-E417 PolarHBondContact O-N 3.34Å
414I98.7Very high97.8Very high28 Ų2853.8 Ų53.814%0.14428%0.284CS..Hα-helixtrans-59.2-45.6176.7-66.8165.1000111F63 K383 V385 E410 A411 C412 I416 E417 V418F63-I414 HydrophobicContact CD2-CD1 4.49Å; F63-I414 HydrophobicContact CE2-CD1 4.4Å; K383-I414 HydrophobicContact CB-CG2 3.42Å; K383-I414 VanDerWaalsContact CB-CG2 3.42Å; K383-I414 HydrophobicContact CG-CG2 4.47Å; V385-I414 HydrophobicContact CG2-CB 4.08Å; V385-I414 HydrophobicContact CG2-CD1 4.27Å; V385-I414 HydrophobicContact CG2-CG2 3.67Å; E410-I414 PolarHBondContact O-N 3.41Å; A411-I414 PolarHBondContact O-N 3.46Å; C412-I414 PolarHBondContact O-N 2.95Å; I414-I416 PolarHBondContact O-N 3.3Å; I414-E417 PolarHBondContact O-N 3.43Å; I414-V418 WeakPolarHBondContact O-CG2 3.37Å; I414-V418 PolarHBondContact O-N 3.29Å
415I98.7Very high97.8Very high0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-60.1-48.7179.4-66.9163000110.1F65 F341 M345 L348 L380 V385 F397 A411 C412 K413 E417 V418 F419F65-I415 HydrophobicContact CD1-CD1 4.39Å; F65-I415 HydrophobicContact CE1-CD1 4.16Å; F341-I415 HydrophobicContact CE2-CD1 3.96Å; M345-I415 HydrophobicContact CE-CB 4.28Å; M345-I415 HydrophobicContact CE-CG2 4.12Å; M345-I415 HydrophobicContact SD-CB 4.39Å; M345-I415 HydrophobicContact SD-CG2 3.63Å; L348-I415 HydrophobicContact CD2-CG2 4.34Å; L380-I415 HydrophobicContact CD2-CB 4.21Å; L380-I415 HydrophobicContact CD2-CG1 3.83Å; L380-I415 HydrophobicContact CD2-CG2 4.42Å; V385-I415 HydrophobicContact CG1-CD1 4.42Å; V385-I415 HydrophobicContact CG1-CG1 4.25Å; F397-I415 HydrophobicContact CD1-CD1 3.92Å; F397-I415 HydrophobicContact CE1-CD1 3.71Å; F397-I415 HydrophobicContact CE1-CG1 4.04Å; F397-I415 HydrophobicContact CE1-CG2 4.31Å; F397-I415 HydrophobicContact CZ-CG2 4.13Å; A411-I415 VanDerWaalsContact O-CG1 3.26Å; A411-I415 WeakPolarHBondContact O-CG1 3.34Å; A411-I415 PolarHBondContact O-N 3.14Å; C412-I415 PolarHBondContact O-N 2.86Å; K413-I415 VanDerWaalsContact C-N 3.33Å; K413-I415 PolarHBondContact O-N 2.93Å; I415-E417 PolarHBondContact O-N 3.47Å; I415-V418 PolarHBondContact O-N 3.2Å; I415-F419 HydrophobicContact CG2-CD2 3.88Å; I415-F419 HydrophobicContact CG2-CE2 3.79Å; I415-F419 VanDerWaalsContact O-CD2 3.26Å; I415-F419 WeakPolarHBondContact O-CD2 3.32Å; I415-F419 PolarHBondContact O-N 3.19Å
416I98.6Very high97.7Very high36 Ų3651.6 Ų51.619%0.18527%0.273CS..Hα-helixtrans-61.2-45179.9-66.9160.6000111.4E344 M345 N347 L348 C412 K413 I414 V418 F419 A420E344-I416 HydrophobicContact CB-CD1 4.43Å; M345-I416 HydrophobicContact CE-CD1 4.15Å; M345-I416 HydrophobicContact CE-CG1 3.93Å; N347-I416 HydrophobicContact CB-CD1 4.12Å; L348-I416 HydrophobicContact CD2-CB 4.4Å; L348-I416 HydrophobicContact CD2-CG1 3.92Å; C412-I416 WeakPolarHBondContact O-CD1 3.49Å; C412-I416 VanDerWaalsContact O-CG1 3.28Å; C412-I416 WeakPolarHBondContact O-CG1 3.39Å; C412-I416 PolarHBondContact O-N 3.37Å; K413-I416 PolarHBondContact O-N 3.24Å; I414-I416 PolarHBondContact O-N 3.3Å; I416-V418 VanDerWaalsContact C-N 3.33Å; I416-V418 PolarHBondContact O-N 2.98Å; I416-F419 PolarHBondContact O-N 3.48Å; I416-A420 WeakPolarHBondContact O-CB 3.5Å; I416-A420 PolarHBondContact O-N 2.98Å
417E98.3Very high97.7Very high96 Ų9645.6 Ų45.645%0.44925%0.246SC..Hα-helixtrans-58.9-42.3177.1-74.7176.1-170.300112.2K413 I414 I415 A420 S421K413-E417 WeakPolarHBondContact CE-OE1 3.05Å; K413-E417 WeakPolarHBondContact O-CG 3.34Å; K413-E417 PolarHBondContact O-N 3.34Å; I414-E417 PolarHBondContact O-N 3.43Å; I415-E417 PolarHBondContact O-N 3.47Å; E417-A420 PolarHBondContact O-N 3.32Å; E417-S421 PolarHBondContact O-N 3Å; E417-S421 VanDerWaalsContact O-N 3.09Å
418V98.4Very high97.6Very high3 Ų345.6 Ų45.62%0.01825%0.248CC..Hα-helixtrans-64.8-47178168.30000111.4I376 K379 L380 K383 I414 I415 I416 A420 S421I376-V418 HydrophobicContact CG2-CG1 4.26Å; K379-V418 HydrophobicContact CB-CG1 3.52Å; K379-V418 HydrophobicContact CB-CG2 4.46Å; L380-V418 HydrophobicContact CD2-CB 3.89Å; L380-V418 HydrophobicContact CD2-CG1 4.01Å; L380-V418 HydrophobicContact CD2-CG2 4.04Å; L380-V418 HydrophobicContact CG-CB 4.4Å; L380-V418 HydrophobicContact CG-CG1 3.97Å; K383-V418 HydrophobicContact CB-CG2 4.01Å; K383-V418 HydrophobicContact CG-CG2 3.6Å; I414-V418 WeakPolarHBondContact O-CG2 3.37Å; I414-V418 PolarHBondContact O-N 3.29Å; I415-V418 PolarHBondContact O-N 3.2Å; I416-V418 VanDerWaalsContact C-N 3.33Å; I416-V418 PolarHBondContact O-N 2.98Å; V418-A420 VanDerWaalsContact C-N 3.31Å; V418-A420 PolarHBondContact O-N 3.1Å; V418-S421 WeakPolarHBondContact O-CB 3.46Å; V418-S421 PolarHBondContact O-N 2.95Å; V418-S421 VanDerWaalsContact O-N 3.11Å; V418-S421 PolarHBondContact O-OG 2.98Å
419F98.3Very high97.5Very high0 Ų048.6 Ų48.60%027%0.265CS..Hα-helixtrans-65.9-33.6178.2-85-105.7000112.5L348 P349 V352 V353 I367 I376 I395 F397 I415 I416 S421 V422L348-F419 HydrophobicContact CD1-CE1 4.49Å; L348-F419 HydrophobicContact CD2-CB 3.68Å; L348-F419 HydrophobicContact CD2-CD1 4.25Å; L348-F419 HydrophobicContact CD2-CD2 3.99Å; L348-F419 HydrophobicContact CD2-CG 3.73Å; P349-F419 HydrophobicContact CG-CB 4.2Å; P349-F419 WeakPolarHBondContact CG-O 3.28Å; V352-F419 HydrophobicContact CG1-CD1 4.06Å; V353-F419 HydrophobicContact CG2-CD1 3.47Å; V353-F419 VanDerWaalsContact CG2-CD1 3.47Å; V353-F419 HydrophobicContact CG2-CE1 3.41Å; V353-F419 VanDerWaalsContact CG2-CE1 3.41Å; I367-F419 HydrophobicContact CD1-CE1 3.53Å; I367-F419 HydrophobicContact CD1-CZ 4.04Å; I376-F419 HydrophobicContact CD1-CD1 4.33Å; I376-F419 HydrophobicContact CD1-CE1 4.09Å; I376-F419 HydrophobicContact CG2-CD2 3.96Å; I376-F419 HydrophobicContact CG2-CE1 4.26Å; I376-F419 HydrophobicContact CG2-CE2 3.57Å; I376-F419 HydrophobicContact CG2-CG 4.5Å; I376-F419 HydrophobicContact CG2-CZ 3.76Å; I395-F419 HydrophobicContact CD1-CZ 4.01Å; F397-F419 HydrophobicContact CZ-CE2 4.21Å; F397-F419 HydrophobicContact CZ-CZ 4.49Å; I415-F419 HydrophobicContact CG2-CD2 3.88Å; I415-F419 HydrophobicContact CG2-CE2 3.79Å; I415-F419 VanDerWaalsContact O-CD2 3.26Å; I415-F419 WeakPolarHBondContact O-CD2 3.32Å; I415-F419 PolarHBondContact O-N 3.19Å; I416-F419 PolarHBondContact O-N 3.48Å; F419-S421 VanDerWaalsContact C-N 3.27Å; F419-S421 PolarHBondContact O-N 3.32Å; F419-V422 WeakPolarHBondContact O-CG2 3.38Å; F419-V422 PolarHBondContact O-N 3.05Å
420A97.4Very high97.4Very high54 Ų5446.9 Ų46.945%0.44626%0.257SS..Hα-helixtrans-65.4-32.1172.900000112.1I416 E417 V418 V422 V423I416-A420 WeakPolarHBondContact O-CB 3.5Å; I416-A420 PolarHBondContact O-N 2.98Å; E417-A420 PolarHBondContact O-N 3.32Å; V418-A420 VanDerWaalsContact C-N 3.31Å; V418-A420 PolarHBondContact O-N 3.1Å; A420-V422 VanDerWaalsContact C-N 3.27Å; A420-V422 PolarHBondContact O-N 3.36Å; A420-V423 PolarHBondContact O-N 2.77Å
421S97.2Very high97.3Very high66 Ų6642.5 Ų42.546%0.46224%0.239SC..THydrogen-bonded Turntrans-74.8-6.3-178.881.40000115.7K379 E417 V418 F419K379-S421 PolarHBondContact NZ-O 3Å; E417-S421 PolarHBondContact O-N 3Å; E417-S421 VanDerWaalsContact O-N 3.09Å; V418-S421 WeakPolarHBondContact O-CB 3.46Å; V418-S421 PolarHBondContact O-N 2.95Å; V418-S421 VanDerWaalsContact O-N 3.11Å; V418-S421 PolarHBondContact O-OG 2.98Å; F419-S421 VanDerWaalsContact C-N 3.27Å; F419-S421 PolarHBondContact O-N 3.32Å
422V94.8Very high97.2Very high27 Ų2746 Ų4616%0.16426%0.259CS..THydrogen-bonded Turntrans-101.1-6.2176.2-63.30000113V352 Y371 I376 K379 F419 A420V352-V422 HydrophobicContact CG1-CG2 3.93Å; V352-V422 HydrophobicContact CG2-CG2 3.94Å; Y371-V422 HydrophobicContact CD1-CG2 4.42Å; Y371-V422 WeakPolarHBondContact CE1-O 3.34Å; I376-V422 HydrophobicContact CD1-CG2 4.37Å; I376-V422 HydrophobicContact CG1-CG1 4.1Å; I376-V422 HydrophobicContact CG1-CG2 4.32Å; K379-V422 HydrophobicContact CD-CG1 3.88Å; F419-V422 WeakPolarHBondContact O-CG2 3.38Å; F419-V422 PolarHBondContact O-N 3.05Å; A420-V422 VanDerWaalsContact C-N 3.27Å; A420-V422 PolarHBondContact O-N 3.36Å
423V88.3Confident97Very high108 Ų10850.1 Ų50.166%0.65528%0.282SS*.  trans-760175.6-179.50000110.2P349 K351 V352 A420P349-V423 HydrophobicContact CB-CG2 3.59Å; P349-V423 HydrophobicContact CG-CG2 3.66Å; K351-V423 HydrophobicContact CD-CG1 4.39Å; V352-V423 HydrophobicContact CG2-CG2 3.6Å; A420-V423 PolarHBondContact O-N 2.77Å

Retrieved 423 of 423 residues in 494.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).