A0A087XDK7_POEFO Loading...

Short chain dehydrogenase/reductase family 39U, member 1

AlphaFold DB , UniProt , Accession A0A087XDK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 304 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
1M95.5Very high95.3Very high60 Ų6027.2 Ų27.230%0.29615%0.152SC..  0150.40-60.1-177.2-64.300109V3 H25 E26 D53M1-V3 HydrophobicContact CB-CG2 4.4Å; M1-H25 PolarHBondContact N-ND1 3.3Å; M1-H25 WeakPolarHBondContact O-CA 3.27Å; M1-H25 WeakPolarHBondContact O-CB 3.48Å; M1-E26 PolarHBondContact O-N 3.37Å; M1-D53 WeakPolarHBondContact CA-OD2 3.44Å; M1-D53 HydrophobicContact CB-CB 4.25Å
2R97.6Very high95.4Very high103 Ų10326.8 Ų26.839%0.38915%0.151SC..EExtended strand (participates in β ladder)trans-96116.9168.3-67167.5-63.6176.86108.4E26 D53 G54R2-E26 CarbonylContact C-O 3.54Å; R2-E26 WeakPolarHBondContact CA-O 3.34Å; R2-E26 HydrophobicContact CG-CB 4.14Å; R2-E26 WeakPolarHBondContact CG-OE2 3.45Å; R2-D53 IonicContact CZ-OD1 3.61Å; R2-D53 PolarHBondContact N-OD2 3.17Å; R2-D53 IonicContact NE-OD1 3.55Å; R2-D53 PolarHBondContact NE-OD1 3.46Å; R2-D53 IonicContact NE-OD2 3.74Å; R2-D53 IonicContact NH2-OD1 2.9Å; R2-D53 PolarHBondContact NH2-OD1 3.25Å; R2-D53 PolarHBondContact O-N 3.04Å; R2-G54 PolarHBondContact O-N 3.37Å
3V98.3Very high95.5Very high2 Ų224.8 Ų24.81%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-113.3127.6-177.1-175.40000110.4M1 I5 L20 E26 V27 T28 G54 V56 L209M1-V3 HydrophobicContact CB-CG2 4.4Å; V3-I5 HydrophobicContact CG1-CD1 4.48Å; V3-I5 HydrophobicContact CG1-CG1 3.93Å; V3-L20 HydrophobicContact CB-CD1 4.09Å; V3-L20 HydrophobicContact CG1-CD1 3.88Å; V3-L20 HydrophobicContact CG2-CD1 4.16Å; V3-E26 PolarHBondContact N-O 2.91Å; V3-V27 WeakPolarHBondContact O-CA 3.41Å; V3-T28 PolarHBondContact O-N 3.25Å; V3-G54 CarbonylContact C-O 3.59Å; V3-G54 VanDerWaalsContact CA-O 3.31Å; V3-G54 WeakPolarHBondContact CA-O 3.41Å; V3-V56 HydrophobicContact CG1-CG1 4.48Å; V3-L209 HydrophobicContact CG1-CD1 3.76Å; V3-L209 HydrophobicContact CG1-CD2 4.32Å; V3-L209 HydrophobicContact CG2-CD1 4.49Å
4L98.4Very high95.5Very high2 Ų232.1 Ų32.11%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-97.2122.6174.4-170.164.8000110.1T28 I30 I39 L49 P50 C52 G54 A55 V56 L89L4-T28 CarbonylContact C-O 3.6Å; L4-T28 WeakPolarHBondContact CA-O 3.41Å; L4-T28 HydrophobicContact CD1-CG2 3.81Å; L4-I30 HydrophobicContact CD1-CD1 4.09Å; L4-I30 HydrophobicContact CD1-CG1 3.72Å; L4-I30 HydrophobicContact CD2-CD1 3.76Å; L4-I30 HydrophobicContact CD2-CG1 4.33Å; L4-I30 HydrophobicContact CG-CD1 3.81Å; L4-I30 HydrophobicContact CG-CG1 3.88Å; L4-I39 HydrophobicContact CD1-CD1 4.31Å; L4-L49 HydrophobicContact CD2-CD1 3.54Å; L4-L49 HydrophobicContact CD2-CG 4.45Å; L4-P50 HydrophobicContact CD1-CG 3.88Å; L4-P50 HydrophobicContact CD2-CG 3.83Å; L4-P50 HydrophobicContact CG-CG 4.48Å; L4-C52 HydrophobicContact CB-CB 4.1Å; L4-G54 PolarHBondContact N-O 3.46Å; L4-A55 HydrophobicContact CB-CB 4.4Å; L4-A55 CarbonylContact O-C 3.49Å; L4-A55 WeakPolarHBondContact O-CA 3.47Å; L4-V56 PolarHBondContact O-N 3.34Å; L4-L89 HydrophobicContact CD2-CD2 4.11Å
5I98.4Very high95.6Very high0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-119.9103.8-174.8-50.1-178.3000111.1V3 G7 G8 L16 L20 V27 T28 L29 I30 V56 L58V3-I5 HydrophobicContact CG1-CD1 4.48Å; V3-I5 HydrophobicContact CG1-CG1 3.93Å; I5-G7 PolarHBondContact O-N 3.21Å; I5-G8 VanDerWaalsContact CG2-CA 3.44Å; I5-G8 PolarHBondContact O-N 3.26Å; I5-L16 HydrophobicContact CD1-CD2 4.05Å; I5-L16 HydrophobicContact CD1-CG 4.18Å; I5-L20 HydrophobicContact CD1-CD1 3.95Å; I5-V27 HydrophobicContact CD1-CG1 3.45Å; I5-V27 VanDerWaalsContact CD1-CG1 3.45Å; I5-V27 HydrophobicContact CG1-CG1 3.97Å; I5-T28 PolarHBondContact N-O 3.03Å; I5-L29 HydrophobicContact CB-CD2 3.95Å; I5-L29 HydrophobicContact CD1-CD2 4.25Å; I5-L29 HydrophobicContact CG1-CD2 4.4Å; I5-L29 CarbonylContact O-C 3.57Å; I5-L29 WeakPolarHBondContact O-CA 3.45Å; I5-I30 PolarHBondContact O-N 3.2Å; I5-V56 WeakPolarHBondContact CA-O 3.46Å; I5-V56 HydrophobicContact CB-CG1 3.98Å; I5-V56 HydrophobicContact CG1-CG1 3.71Å; I5-V56 HydrophobicContact CG2-CG1 3.84Å; I5-L58 HydrophobicContact CG2-CD1 4Å; I5-L58 HydrophobicContact CG2-CG 4.47Å
6G97.8Very high95.8Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-64.9125.6166.700000111.4G8 V56 L58 A59G6-G8 VanDerWaalsContact C-N 3.28Å; G6-G8 PolarHBondContact O-N 3.22Å; G6-V56 PolarHBondContact N-O 3.4Å; G6-L58 CarbonylContact O-C 3.54Å; G6-L58 WeakPolarHBondContact O-CA 3.46Å; G6-L58 WeakPolarHBondContact O-CB 3.47Å; G6-L58 PolarHBondContact O-N 2.92Å; G6-A59 PolarHBondContact O-N 3.28Å
7G93.1Very high95.9Very high14 Ų1429 Ų2914%0.14415%0.148CC..THydrogen-bonded Turntrans73.117.6-179.300000114.4I5 S9 G10 I30I5-G7 PolarHBondContact O-N 3.21Å; G7-S9 PolarHBondContact O-N 2.87Å; G7-G10 PolarHBondContact O-N 2.9Å; G7-I30 PolarHBondContact N-O 2.95Å
8G91.3Very high96Very high1 Ų134 Ų341%0.0117%0.165CC..THydrogen-bonded Turntrans-64.1-11.8-174.300000116.3I5 G6 G10 G13 R14I5-G8 VanDerWaalsContact CG2-CA 3.44Å; I5-G8 PolarHBondContact O-N 3.26Å; G6-G8 VanDerWaalsContact C-N 3.28Å; G6-G8 PolarHBondContact O-N 3.22Å; G8-G10 VanDerWaalsContact C-N 3.25Å; G8-G10 PolarHBondContact O-N 3.37Å; G8-G13 CarbonylContact O-C 3.58Å; G8-G13 WeakPolarHBondContact O-CA 3.47Å; G8-R14 PolarHBondContact O-N 2.73Å
9S91.5Very high96.1Very high46 Ų4634.3 Ų34.332%0.32217%0.167SC..THydrogen-bonded Turntrans-74.6-14.7170.357.20000113.9G7 R14G7-S9 PolarHBondContact O-N 2.87Å; S9-R14 PolarHBondContact O-NH1 2.94Å
10G92.7Very high96.2Very high30 Ų3032.6 Ų32.631%0.30916%0.159SC..SBendtrans-70.6179.8-179.500000113.5G7 G8 G13 R14G7-G10 PolarHBondContact O-N 2.9Å; G8-G10 VanDerWaalsContact C-N 3.25Å; G8-G10 PolarHBondContact O-N 3.37Å; G10-G13 PolarHBondContact O-N 2.94Å; G10-R14 WeakPolarHBondContact O-CG 3.27Å; G10-R14 PolarHBondContact O-N 2.81Å; G10-R14 PolarHBondContact O-NH1 3.24Å
11F94.1Very high96.2Very high41 Ų4137.7 Ų37.718%0.1818%0.176CC..Hα-helixtrans-58.9-58.5-175.8169.8-123.4000113G13 R14 V163 G169 V198F11-G13 VanDerWaalsContact C-N 3.32Å; F11-G13 PolarHBondContact O-N 2.88Å; F11-R14 PolarHBondContact O-N 2.9Å; F11-V163 HydrophobicContact CD1-CG1 4.39Å; F11-V163 HydrophobicContact CE1-CB 4.08Å; F11-V163 HydrophobicContact CE1-CG1 3.7Å; F11-G169 VanDerWaalsContact CE1-CA 3.49Å; F11-V198 HydrophobicContact CD1-CG2 4.37Å; F11-V198 HydrophobicContact CE1-CB 4.05Å; F11-V198 HydrophobicContact CE1-CG2 3.84Å; F11-V198 HydrophobicContact CE2-CB 4.41Å; F11-V198 HydrophobicContact CE2-CG1 4.44Å; F11-V198 HydrophobicContact CE2-CG2 4.12Å; F11-V198 HydrophobicContact CZ-CB 3.7Å; F11-V198 HydrophobicContact CZ-CG1 4.05Å; F11-V198 HydrophobicContact CZ-CG2 3.7Å
12V96.6Very high96.3Very high23 Ų2340.2 Ų40.214%0.13919%0.191CC..Hα-helixtrans-63.7-40.7177.1-177.10000110.8R14 E15 L16 L58 V163 L201 I205V12-R14 VanDerWaalsContact C-N 3.33Å; V12-R14 PolarHBondContact O-N 3.04Å; V12-E15 PolarHBondContact O-N 3.02Å; V12-L16 WeakPolarHBondContact O-CB 3.38Å; V12-L16 PolarHBondContact O-N 3.43Å; V12-L58 HydrophobicContact CB-CD1 4.37Å; V12-L58 HydrophobicContact CG1-CD1 4.12Å; V12-L58 HydrophobicContact CG1-CD2 4.43Å; V12-V163 HydrophobicContact CG2-CB 4.48Å; V12-V163 HydrophobicContact CG2-CG1 4.11Å; V12-V163 HydrophobicContact CG2-CG2 4.24Å; V12-L201 HydrophobicContact CG1-CD2 3.82Å; V12-L201 HydrophobicContact CG1-CG 4.17Å; V12-L201 HydrophobicContact CG2-CD2 3.94Å; V12-I205 HydrophobicContact CG1-CD1 3.99Å
13G96.3Very high96.3Very high1 Ų140.3 Ų40.31%0.0119%0.194CC..Hα-helixtrans-59.7-37.7-178.800000114.3G8 G10 F11 T17G8-G13 CarbonylContact O-C 3.58Å; G8-G13 WeakPolarHBondContact O-CA 3.47Å; G10-G13 PolarHBondContact O-N 2.94Å; F11-G13 VanDerWaalsContact C-N 3.32Å; F11-G13 PolarHBondContact O-N 2.88Å; G13-T17 VanDerWaalsContact O-CB 3.28Å; G13-T17 WeakPolarHBondContact O-CB 3.44Å; G13-T17 PolarHBondContact O-N 2.74Å; G13-T17 PolarHBondContact O-OG1 2.94Å
14R96Very high96.2Very high126 Ų12643.3 Ų43.348%0.47523%0.226SC..Hα-helixtrans-66.9-43.7175.7-73.9-170.6-52.1-92.26.8112G8 S9 G10 F11 V12 T17 R18G8-R14 PolarHBondContact O-N 2.73Å; S9-R14 PolarHBondContact O-NH1 2.94Å; G10-R14 WeakPolarHBondContact O-CG 3.27Å; G10-R14 PolarHBondContact O-N 2.81Å; G10-R14 PolarHBondContact O-NH1 3.24Å; F11-R14 PolarHBondContact O-N 2.9Å; V12-R14 VanDerWaalsContact C-N 3.33Å; V12-R14 PolarHBondContact O-N 3.04Å; R14-T17 PolarHBondContact O-N 3.49Å; R14-R18 WeakPolarHBondContact O-CB 3.14Å; R14-R18 PolarHBondContact O-N 3.02Å
15E97.1Very high96.2Very high31 Ų3145 Ų4515%0.14523%0.234CC..Hα-helixtrans-65.9-42178-179.265.8173.900111.2V12 R18 L19 V198 S199 A202V12-E15 PolarHBondContact O-N 3.02Å; E15-R18 VanDerWaalsContact CD-NH2 3.32Å; E15-R18 PolarHBondContact O-N 2.86Å; E15-R18 IonicContact OE1-CZ 3.79Å; E15-R18 IonicContact OE1-NE 3.97Å; E15-R18 IonicContact OE1-NH2 2.9Å; E15-R18 PolarHBondContact OE1-NH2 3.03Å; E15-R18 IonicContact OE2-CZ 3.64Å; E15-R18 IonicContact OE2-NE 2.9Å; E15-R18 PolarHBondContact OE2-NE 3.25Å; E15-R18 IonicContact OE2-NH2 3.49Å; E15-R18 PolarHBondContact OE2-NH2 3.34Å; E15-L19 WeakPolarHBondContact O-CB 3.28Å; E15-L19 PolarHBondContact O-N 3.11Å; E15-V198 HydrophobicContact CB-CG2 3.8Å; E15-V198 HydrophobicContact CG-CG1 4.24Å; E15-V198 HydrophobicContact CG-CG2 4.03Å; E15-S199 WeakPolarHBondContact OE1-CB 3.29Å; E15-S199 PolarHBondContact OE1-OG 3.38Å; E15-A202 HydrophobicContact CB-CB 4.48Å; E15-A202 HydrophobicContact CG-CB 3.88Å
16L98.2Very high96.2Very high0 Ų051.3 Ų51.30%026%0.263CS..Hα-helixtrans-62.5-45.1174.1179.562.8000111.8I5 V12 R18 L19 L20 V56 L58 A202 I205 A206I5-L16 HydrophobicContact CD1-CD2 4.05Å; I5-L16 HydrophobicContact CD1-CG 4.18Å; V12-L16 WeakPolarHBondContact O-CB 3.38Å; V12-L16 PolarHBondContact O-N 3.43Å; L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 3.01Å; L16-L19 PolarHBondContact O-N 2.91Å; L16-L20 HydrophobicContact CD1-CD1 3.83Å; L16-L20 HydrophobicContact CD1-CD2 4.37Å; L16-L20 HydrophobicContact CD1-CG 3.88Å; L16-L20 HydrophobicContact CD2-CD1 4.42Å; L16-L20 HydrophobicContact CG-CD1 3.75Å; L16-L20 HydrophobicContact CG-CG 4.23Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 VanDerWaalsContact O-CG 3.25Å; L16-L20 WeakPolarHBondContact O-CG 3.39Å; L16-L20 PolarHBondContact O-N 2.85Å; L16-V56 HydrophobicContact CD2-CG1 3.93Å; L16-L58 HydrophobicContact CD2-CD1 3.99Å; L16-A202 HydrophobicContact CB-CB 4.3Å; L16-A202 HydrophobicContact CD1-CB 4.45Å; L16-I205 HydrophobicContact CD1-CB 4.11Å; L16-I205 HydrophobicContact CD1-CG2 3.88Å; L16-I205 HydrophobicContact CD2-CB 4.35Å; L16-I205 HydrophobicContact CD2-CD1 4.39Å; L16-I205 HydrophobicContact CD2-CG2 3.54Å; L16-I205 HydrophobicContact CG-CG2 4.37Å; L16-A206 HydrophobicContact CD1-CB 4.3Å
17T97.5Very high96.2Very high13 Ų1352 Ų528%0.0827%0.267CS..Hα-helixtrans-59.2-43.7177.3-620000111G13 R14 R21 V27G13-T17 VanDerWaalsContact O-CB 3.28Å; G13-T17 WeakPolarHBondContact O-CB 3.44Å; G13-T17 PolarHBondContact O-N 2.74Å; G13-T17 PolarHBondContact O-OG1 2.94Å; R14-T17 PolarHBondContact O-N 3.49Å; T17-R21 WeakPolarHBondContact O-CB 3.45Å; T17-R21 VanDerWaalsContact O-CG 3.28Å; T17-R21 WeakPolarHBondContact O-CG 3.41Å; T17-R21 PolarHBondContact O-N 3.45Å; T17-V27 HydrophobicContact CG2-CB 4.33Å; T17-V27 HydrophobicContact CG2-CG1 3.95Å
18R97Very high96.4Very high119 Ų11953.9 Ų53.945%0.44928%0.276SS..Hα-helixtrans-60.9-53.4176.1-172.2-172.567.877-5.2110.5R14 E15 L16 L20 R21 D22R14-R18 WeakPolarHBondContact O-CB 3.14Å; R14-R18 PolarHBondContact O-N 3.02Å; E15-R18 VanDerWaalsContact CD-NH2 3.32Å; E15-R18 PolarHBondContact O-N 2.86Å; E15-R18 IonicContact OE1-CZ 3.79Å; E15-R18 IonicContact OE1-NE 3.97Å; E15-R18 IonicContact OE1-NH2 2.9Å; E15-R18 PolarHBondContact OE1-NH2 3.03Å; E15-R18 IonicContact OE2-CZ 3.64Å; E15-R18 IonicContact OE2-NE 2.9Å; E15-R18 PolarHBondContact OE2-NE 3.25Å; E15-R18 IonicContact OE2-NH2 3.49Å; E15-R18 PolarHBondContact OE2-NH2 3.34Å; L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 3.01Å; R18-L20 VanDerWaalsContact C-N 3.34Å; R18-L20 PolarHBondContact O-N 3.46Å; R18-R21 PolarHBondContact O-N 3.14Å; R18-D22 IonicContact CZ-OD2 3.68Å; R18-D22 IonicContact NH1-OD2 2.8Å; R18-D22 PolarHBondContact NH1-OD2 2.7Å; R18-D22 WeakPolarHBondContact O-CB 3.27Å; R18-D22 PolarHBondContact O-N 2.99Å
19L97.8Very high96.7Very high39 Ų3954.5 Ų54.520%0.20428%0.279CS..Hα-helixtrans-56.1-45.2179.5177.163.4000112.7E15 L16 K23 A202 A206E15-L19 WeakPolarHBondContact O-CB 3.28Å; E15-L19 PolarHBondContact O-N 3.11Å; L16-L19 PolarHBondContact O-N 2.91Å; L19-K23 WeakPolarHBondContact O-CG 3.44Å; L19-K23 PolarHBondContact O-N 2.9Å; L19-A202 HydrophobicContact CD2-CB 4.02Å; L19-A202 WeakPolarHBondContact CD2-O 3.48Å; L19-A206 HydrophobicContact CD2-CB 3.84Å
20L98.1Very high97Very high0 Ų052.3 Ų52.30%026%0.264CS..Hα-helixtrans-68-40.9-179.3-69172.3000111.7V3 I5 L16 R18 K23 G24 H25 V27 A206 L209V3-L20 HydrophobicContact CB-CD1 4.09Å; V3-L20 HydrophobicContact CG1-CD1 3.88Å; V3-L20 HydrophobicContact CG2-CD1 4.16Å; I5-L20 HydrophobicContact CD1-CD1 3.95Å; L16-L20 HydrophobicContact CD1-CD1 3.83Å; L16-L20 HydrophobicContact CD1-CD2 4.37Å; L16-L20 HydrophobicContact CD1-CG 3.88Å; L16-L20 HydrophobicContact CD2-CD1 4.42Å; L16-L20 HydrophobicContact CG-CD1 3.75Å; L16-L20 HydrophobicContact CG-CG 4.23Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 VanDerWaalsContact O-CG 3.25Å; L16-L20 WeakPolarHBondContact O-CG 3.39Å; L16-L20 PolarHBondContact O-N 2.85Å; R18-L20 VanDerWaalsContact C-N 3.34Å; R18-L20 PolarHBondContact O-N 3.46Å; L20-K23 CarbonylContact O-C 3.57Å; L20-K23 PolarHBondContact O-N 2.8Å; L20-G24 PolarHBondContact O-N 2.94Å; L20-H25 HydrophobicContact CB-CB 4.19Å; L20-H25 VanDerWaalsContact O-CB 3.27Å; L20-H25 WeakPolarHBondContact O-CB 3.26Å; L20-H25 PolarHBondContact O-N 2.88Å; L20-V27 HydrophobicContact CB-CG2 3.82Å; L20-V27 HydrophobicContact CD1-CG2 4.12Å; L20-A206 HydrophobicContact CD2-CB 4.06Å; L20-L209 HydrophobicContact CD1-CD1 4.29Å; L20-L209 HydrophobicContact CD2-CD1 4.35Å
21R97.3Very high97Very high140 Ų14051.5 Ų51.553%0.52825%0.254SS..Hα-helixtrans-67.4-39.4176.6-74.3177.2177.7-178.2-1.9112.4T17 R18 K23 G24 V27T17-R21 WeakPolarHBondContact O-CB 3.45Å; T17-R21 VanDerWaalsContact O-CG 3.28Å; T17-R21 WeakPolarHBondContact O-CG 3.41Å; T17-R21 PolarHBondContact O-N 3.45Å; R18-R21 PolarHBondContact O-N 3.14Å; R21-K23 PolarHBondContact O-N 3.21Å; R21-G24 WeakPolarHBondContact O-CA 3.18Å; R21-G24 PolarHBondContact O-N 3.34Å; R21-V27 HydrophobicContact CG-CG2 4.19Å
22D97.6Very high96.8Very high113 Ų11358.6 Ų58.660%0.60428%0.279SS*.Hα-helixtrans-60.8-29.4174.5-67.4-12.9000111.2R18 G24R18-D22 IonicContact CZ-OD2 3.68Å; R18-D22 IonicContact NH1-OD2 2.8Å; R18-D22 PolarHBondContact NH1-OD2 2.7Å; R18-D22 WeakPolarHBondContact O-CB 3.27Å; R18-D22 PolarHBondContact O-N 2.99Å; D22-G24 VanDerWaalsContact C-N 3.31Å
23K96.5Very high96.4Very high105 Ų10564 Ų6446%0.45730%0.303SS..THydrogen-bonded Turntrans-83.95.8171.9-70.4-176.1171.7-165.50114.4L19 L20 R21 E210L19-K23 WeakPolarHBondContact O-CG 3.44Å; L19-K23 PolarHBondContact O-N 2.9Å; L20-K23 CarbonylContact O-C 3.57Å; L20-K23 PolarHBondContact O-N 2.8Å; R21-K23 PolarHBondContact O-N 3.21Å; K23-E210 IonicContact NZ-OE1 2.83Å
24G97.5Very high96.1Very high66 Ų6668.1 Ų68.168%0.6833%0.33SS*.THydrogen-bonded Turntrans75.922.1179.400000114.7L20 R21 D22L20-G24 PolarHBondContact O-N 2.94Å; R21-G24 WeakPolarHBondContact O-CA 3.18Å; R21-G24 PolarHBondContact O-N 3.34Å; D22-G24 VanDerWaalsContact C-N 3.31Å
25H97.8Very high95.8Very high38 Ų3863.6 Ų63.618%0.17632%0.322CS..  trans-89.7147.8174.7-54.9-32.6000111.9M1 L20M1-H25 PolarHBondContact N-ND1 3.3Å; M1-H25 WeakPolarHBondContact O-CA 3.27Å; M1-H25 WeakPolarHBondContact O-CB 3.48Å; L20-H25 HydrophobicContact CB-CB 4.19Å; L20-H25 VanDerWaalsContact O-CB 3.27Å; L20-H25 WeakPolarHBondContact O-CB 3.26Å; L20-H25 PolarHBondContact O-N 2.88Å
26E97.6Very high95.4Very high132 Ų13268.6 Ų68.662%0.61736%0.357SS*.EExtended strand (participates in β ladder)trans-84.7136.7171.9-67.5-179.9-173.500109.4M1 R2 V3M1-E26 PolarHBondContact O-N 3.37Å; R2-E26 CarbonylContact C-O 3.54Å; R2-E26 WeakPolarHBondContact CA-O 3.34Å; R2-E26 HydrophobicContact CG-CB 4.14Å; R2-E26 WeakPolarHBondContact CG-OE2 3.45Å; V3-E26 PolarHBondContact N-O 2.91Å
27V97.9Very high95Very high14 Ų1470.8 Ų70.89%0.08538%0.38CS..EExtended strand (participates in β ladder)trans-129.7121.4-1751770000110.1V3 I5 T17 L20 R21 L29V3-V27 WeakPolarHBondContact O-CA 3.41Å; I5-V27 HydrophobicContact CD1-CG1 3.45Å; I5-V27 VanDerWaalsContact CD1-CG1 3.45Å; I5-V27 HydrophobicContact CG1-CG1 3.97Å; T17-V27 HydrophobicContact CG2-CB 4.33Å; T17-V27 HydrophobicContact CG2-CG1 3.95Å; L20-V27 HydrophobicContact CB-CG2 3.82Å; L20-V27 HydrophobicContact CD1-CG2 4.12Å; R21-V27 HydrophobicContact CG-CG2 4.19Å; V27-L29 HydrophobicContact CG1-CD2 3.48Å; V27-L29 VanDerWaalsContact CG1-CD2 3.48Å
28T97.9Very high94.8Very high54 Ų5474.7 Ų74.733%0.33139%0.393SS..EExtended strand (participates in β ladder)trans-110.4131.7171.3-59.70000108.7V3 L4 I5 I39V3-T28 PolarHBondContact O-N 3.25Å; L4-T28 CarbonylContact C-O 3.6Å; L4-T28 WeakPolarHBondContact CA-O 3.41Å; L4-T28 HydrophobicContact CD1-CG2 3.81Å; I5-T28 PolarHBondContact N-O 3.03Å; T28-I39 HydrophobicContact CG2-CG2 4.46Å
29L97.8Very high94.8Very high13 Ų1370.7 Ų70.77%0.06838%0.38CS..EExtended strand (participates in β ladder)trans-100.3146-178.9-44.8-178.3000110.9I5 V27 G37 R38 I39I5-L29 HydrophobicContact CB-CD2 3.95Å; I5-L29 HydrophobicContact CD1-CD2 4.25Å; I5-L29 HydrophobicContact CG1-CD2 4.4Å; I5-L29 CarbonylContact O-C 3.57Å; I5-L29 WeakPolarHBondContact O-CA 3.45Å; V27-L29 HydrophobicContact CG1-CD2 3.48Å; V27-L29 VanDerWaalsContact CG1-CD2 3.48Å; L29-G37 PolarHBondContact N-O 3.35Å; L29-R38 HydrophobicContact CB-CG 4.04Å; L29-R38 HydrophobicContact CD1-CG 4.41Å; L29-R38 HydrophobicContact CG-CG 4.48Å; L29-R38 CarbonylContact O-C 3.48Å; L29-R38 WeakPolarHBondContact O-CA 3.31Å; L29-I39 PolarHBondContact O-N 2.9Å
30I97Very high94.7Very high0 Ų069.8 Ų69.80%038%0.376CS..EExtended strand (participates in β ladder)trans-101.5126.8164-40.5-175.1000108.6L4 I5 G7 I39 W41 L44 L89L4-I30 HydrophobicContact CD1-CD1 4.09Å; L4-I30 HydrophobicContact CD1-CG1 3.72Å; L4-I30 HydrophobicContact CD2-CD1 3.76Å; L4-I30 HydrophobicContact CD2-CG1 4.33Å; L4-I30 HydrophobicContact CG-CD1 3.81Å; L4-I30 HydrophobicContact CG-CG1 3.88Å; I5-I30 PolarHBondContact O-N 3.2Å; G7-I30 PolarHBondContact N-O 2.95Å; I30-I39 WeakPolarHBondContact CA-O 3.28Å; I30-I39 HydrophobicContact CB-CG1 4.45Å; I30-I39 HydrophobicContact CD1-CD1 4.4Å; I30-I39 HydrophobicContact CG1-CD1 4.21Å; I30-I39 HydrophobicContact CG1-CG1 3.99Å; I30-I39 HydrophobicContact CG2-CG1 4.33Å; I30-W41 HydrophobicContact CB-CH2 4.24Å; I30-W41 HydrophobicContact CB-CZ2 4.11Å; I30-W41 HydrophobicContact CD1-CH2 4.47Å; I30-W41 HydrophobicContact CD1-CZ3 4.27Å; I30-W41 HydrophobicContact CG2-CD2 3.53Å; I30-W41 HydrophobicContact CG2-CE3 3.76Å; I30-W41 HydrophobicContact CG2-CG 3.97Å; I30-W41 HydrophobicContact CG2-CH2 4.15Å; I30-W41 HydrophobicContact CG2-CZ2 3.96Å; I30-W41 HydrophobicContact CG2-CZ3 4.07Å; I30-L44 HydrophobicContact CD1-CD1 4.28Å; I30-L44 HydrophobicContact CD1-CD2 3.96Å; I30-L89 HydrophobicContact CD1-CD1 4.22Å; I30-L89 HydrophobicContact CD1-CD2 3.72Å; I30-L89 HydrophobicContact CD1-CG 4.16Å
31S93.6Very high94.6Very high14 Ų1471.2 Ų71.210%0.09838%0.382CS..EExtended strand (participates in β ladder)trans-136.3169.8-177.7-163.70000112Q33 I39 T40 W41S31-Q33 VanDerWaalsContact C-N 3.29Å; S31-I39 PolarHBondContact N-O 3.26Å; S31-T40 VanDerWaalsContact O-CA 3.27Å; S31-T40 WeakPolarHBondContact O-CA 3.37Å; S31-W41 PolarHBondContact O-N 3.24Å
32R90.1Very high94.5Very high189 Ų18972.4 Ų72.471%0.71339%0.391SS*.SBendtrans-71.9-27.8171.7-67.8177.8-68-165.1-3112.1E61R32-E61 IonicContact NH1-OE2 3.18Å
33Q88.4Confident94.4Very high136 Ų13669.5 Ų69.564%0.63637%0.374SS*.SBendtrans-118.2140.8-175.8-62.7-61.2-24.400110.2S31S31-Q33 VanDerWaalsContact C-N 3.29Å
34P89.7Confident94.4Very high89 Ų8964.6 Ų64.658%0.57835%0.352SS*.  trans-67.6161.3177.430.6-35.4000111.1T40P34-T40 HydrophobicContact CB-CG2 4.01Å
35G88.8Confident94.3Very high31 Ų3167.7 Ų67.732%0.3235%0.349SS..BIsolated β-bridgetrans169.1175.6174.100000113.1G37 R38G35-G37 PolarHBondContact O-N 3.4Å; G35-R38 WeakPolarHBondContact O-CB 3.25Å; G35-R38 PolarHBondContact O-N 2.86Å
36P88.5Confident94.1Very high135 Ų13570.3 Ų70.388%0.87737%0.371SS*.THydrogen-bonded Turntrans-58.8129.4-178.6-24.134000112.4R38P36-R38 PolarHBondContact O-N 3.38Å
37G90.1Very high94Very high46 Ų4673.5 Ų73.547%0.47438%0.378SS..THydrogen-bonded Turntrans67.121.8-177.600000113.9L29 G35L29-G37 PolarHBondContact N-O 3.35Å; G35-G37 PolarHBondContact O-N 3.4Å
38R94.5Very high93.8Very high96 Ų9674.3 Ų74.336%0.36239%0.389SS..EExtended strand (participates in β ladder)trans-133.5145.1179.9-47.7-169.9162.6172.5-4.6111.6L29 G35 P36L29-R38 HydrophobicContact CB-CG 4.04Å; L29-R38 HydrophobicContact CD1-CG 4.41Å; L29-R38 HydrophobicContact CG-CG 4.48Å; L29-R38 CarbonylContact O-C 3.48Å; L29-R38 WeakPolarHBondContact O-CA 3.31Å; G35-R38 WeakPolarHBondContact O-CB 3.25Å; G35-R38 PolarHBondContact O-N 2.86Å; P36-R38 PolarHBondContact O-N 3.38Å
39I96Very high93.8Very high35 Ų3572.9 Ų72.918%0.17938%0.379CS..EExtended strand (participates in β ladder)trans-112.7162.4162.363.4165.4000109.5L4 T28 L29 I30 S31 E43 L44 P50L4-I39 HydrophobicContact CD1-CD1 4.31Å; T28-I39 HydrophobicContact CG2-CG2 4.46Å; L29-I39 PolarHBondContact O-N 2.9Å; I30-I39 WeakPolarHBondContact CA-O 3.28Å; I30-I39 HydrophobicContact CB-CG1 4.45Å; I30-I39 HydrophobicContact CD1-CD1 4.4Å; I30-I39 HydrophobicContact CG1-CD1 4.21Å; I30-I39 HydrophobicContact CG1-CG1 3.99Å; I30-I39 HydrophobicContact CG2-CG1 4.33Å; S31-I39 PolarHBondContact N-O 3.26Å; I39-E43 WeakPolarHBondContact CA-OE2 3.39Å; I39-E43 HydrophobicContact CB-CB 4.43Å; I39-L44 HydrophobicContact CD1-CB 4.36Å; I39-L44 HydrophobicContact CD1-CD1 4.46Å; I39-P50 HydrophobicContact CD1-CG 3.94Å
40T96.5Very high93.7Very high19 Ų1974 Ų7412%0.11739%0.387CS..EExtended strand (participates in β ladder)trans-93.5159.1174.463.80000111.9S31 P34 K42 E43 L44S31-T40 VanDerWaalsContact O-CA 3.27Å; S31-T40 WeakPolarHBondContact O-CA 3.37Å; P34-T40 HydrophobicContact CB-CG2 4.01Å; T40-K42 PolarHBondContact O-N 2.85Å; T40-E43 PolarHBondContact N-OE2 2.81Å; T40-E43 PolarHBondContact O-N 3.47Å; T40-E43 VanDerWaalsContact O-N 3.11Å; T40-E43 WeakPolarHBondContact OG1-CB 3.43Å; T40-E43 VanDerWaalsContact OG1-CG 3.27Å; T40-E43 WeakPolarHBondContact OG1-CG 3.37Å; T40-E43 PolarHBondContact OG1-N 2.97Å; T40-E43 VanDerWaalsContact OG1-N 3.14Å; T40-E43 PolarHBondContact OG1-OE2 3.45Å; T40-L44 PolarHBondContact O-N 2.85Å
41W95.7Very high93.6Very high31 Ų3178.3 Ų78.312%0.11742%0.415CS..Hα-helixtrans-56.6-38.3171.1-65.2104.3000112.2I30 S31 E43 L44 E45 A59 T85 L89I30-W41 HydrophobicContact CB-CH2 4.24Å; I30-W41 HydrophobicContact CB-CZ2 4.11Å; I30-W41 HydrophobicContact CD1-CH2 4.47Å; I30-W41 HydrophobicContact CD1-CZ3 4.27Å; I30-W41 HydrophobicContact CG2-CD2 3.53Å; I30-W41 HydrophobicContact CG2-CE3 3.76Å; I30-W41 HydrophobicContact CG2-CG 3.97Å; I30-W41 HydrophobicContact CG2-CH2 4.15Å; I30-W41 HydrophobicContact CG2-CZ2 3.96Å; I30-W41 HydrophobicContact CG2-CZ3 4.07Å; S31-W41 PolarHBondContact O-N 3.24Å; W41-E43 VanDerWaalsContact C-N 3.35Å; W41-E43 PolarHBondContact O-N 2.72Å; W41-L44 HydrophobicContact CE3-CD2 4.1Å; W41-L44 HydrophobicContact CZ3-CD2 4.18Å; W41-L44 WeakPolarHBondContact O-CB 3.48Å; W41-L44 PolarHBondContact O-N 2.93Å; W41-E45 WeakPolarHBondContact O-CG 3.25Å; W41-E45 PolarHBondContact O-N 3.48Å; W41-A59 HydrophobicContact CH2-CB 4.16Å; W41-A59 HydrophobicContact CZ2-CB 3.62Å; W41-T85 HydrophobicContact CD2-CG2 3.92Å; W41-T85 HydrophobicContact CE3-CG2 4.13Å; W41-T85 HydrophobicContact CH2-CG2 4.07Å; W41-T85 HydrophobicContact CZ2-CG2 3.83Å; W41-T85 HydrophobicContact CZ3-CG2 4.2Å; W41-T85 VanDerWaalsContact CZ3-O 3.26Å; W41-T85 WeakPolarHBondContact CZ3-O 3.5Å; W41-L89 HydrophobicContact CH2-CD1 3.74Å; W41-L89 HydrophobicContact CH2-CG 4.44Å; W41-L89 HydrophobicContact CZ3-CD1 3.73Å; W41-L89 HydrophobicContact CZ3-CG 3.93Å
42K95.1Very high93.8Very high164 Ų16478.2 Ų78.271%0.71341%0.414SS*.Hα-helixtrans-65.4-36.3175.5-66.2-174.6177.3-175.40112.9T40 S46T40-K42 PolarHBondContact O-N 2.85Å; K42-S46 WeakPolarHBondContact O-CB 3.34Å; K42-S46 PolarHBondContact O-N 2.87Å; K42-S46 PolarHBondContact O-OG 2.87Å
43E95.9Very high94.1Very high53 Ų5371.2 Ų71.225%0.24839%0.391CS..Hα-helixtrans-68.5-39.1174.7-76.2167.4140.200111.3I39 T40 W41 S46 R47I39-E43 WeakPolarHBondContact CA-OE2 3.39Å; I39-E43 HydrophobicContact CB-CB 4.43Å; T40-E43 PolarHBondContact N-OE2 2.81Å; T40-E43 PolarHBondContact O-N 3.47Å; T40-E43 VanDerWaalsContact O-N 3.11Å; T40-E43 WeakPolarHBondContact OG1-CB 3.43Å; T40-E43 VanDerWaalsContact OG1-CG 3.27Å; T40-E43 WeakPolarHBondContact OG1-CG 3.37Å; T40-E43 PolarHBondContact OG1-N 2.97Å; T40-E43 VanDerWaalsContact OG1-N 3.14Å; T40-E43 PolarHBondContact OG1-OE2 3.45Å; W41-E43 VanDerWaalsContact C-N 3.35Å; W41-E43 PolarHBondContact O-N 2.72Å; E43-S46 PolarHBondContact O-N 3.05Å; E43-S46 PolarHBondContact O-OG 3.14Å; E43-R47 VanDerWaalsContact O-CB 3.26Å; E43-R47 WeakPolarHBondContact O-CB 3.38Å; E43-R47 PolarHBondContact O-N 3.38Å
44L96.6Very high94.6Very high1 Ų164.8 Ų64.81%0.00536%0.361CS..Hα-helixtrans-59.2-48.4172.818075.7000111.1I30 I39 T40 W41 S46 G48 L49 A88 L89 A92I30-L44 HydrophobicContact CD1-CD1 4.28Å; I30-L44 HydrophobicContact CD1-CD2 3.96Å; I39-L44 HydrophobicContact CD1-CB 4.36Å; I39-L44 HydrophobicContact CD1-CD1 4.46Å; T40-L44 PolarHBondContact O-N 2.85Å; W41-L44 HydrophobicContact CE3-CD2 4.1Å; W41-L44 HydrophobicContact CZ3-CD2 4.18Å; W41-L44 WeakPolarHBondContact O-CB 3.48Å; W41-L44 PolarHBondContact O-N 2.93Å; L44-S46 PolarHBondContact O-N 3.03Å; L44-G48 CarbonylContact O-C 3.58Å; L44-G48 WeakPolarHBondContact O-CA 3.42Å; L44-G48 PolarHBondContact O-N 3.4Å; L44-L49 HydrophobicContact CD1-CD1 3.97Å; L44-A88 HydrophobicContact CD2-CB 4.27Å; L44-L89 HydrophobicContact CD1-CD2 4.43Å; L44-L89 HydrophobicContact CD2-CD2 3.92Å; L44-L89 HydrophobicContact CD2-CG 3.84Å; L44-A92 HydrophobicContact CD1-CB 3.95Å; L44-A92 HydrophobicContact CG-CB 4.17Å
45E94.6Very high95Very high132 Ų13260.6 Ų60.662%0.61733%0.334SS*.Hα-helixtrans-64.7-39.3-179.7-71.2166.4-179.200112.6W41 A88W41-E45 WeakPolarHBondContact O-CG 3.25Å; W41-E45 PolarHBondContact O-N 3.48Å; E45-A88 HydrophobicContact CG-CB 4.28Å
46S94.9Very high95.5Very high92 Ų9259.1 Ų59.164%0.64332%0.319SS*.Hα-helixtrans-86.6-31.3-175.456.80000114.5K42 E43 L44K42-S46 WeakPolarHBondContact O-CB 3.34Å; K42-S46 PolarHBondContact O-N 2.87Å; K42-S46 PolarHBondContact O-OG 2.87Å; E43-S46 PolarHBondContact O-N 3.05Å; E43-S46 PolarHBondContact O-OG 3.14Å; L44-S46 PolarHBondContact O-N 3.03Å
47R94.9Very high95.9Very high200 Ų20052.7 Ų52.776%0.75528%0.277SS*.Hα-helixtrans-109.2-8.7-175.3-56.4-177.2179.6175.32.4113.3E43E43-R47 VanDerWaalsContact O-CB 3.26Å; E43-R47 WeakPolarHBondContact O-CB 3.38Å; E43-R47 PolarHBondContact O-N 3.38Å
48G94.2Very high96.3Very high31 Ų3152 Ų5232%0.3226%0.262SS..  trans79-172.5-175.400000113.1L44L44-G48 CarbonylContact O-C 3.58Å; L44-G48 WeakPolarHBondContact O-CA 3.42Å; L44-G48 PolarHBondContact O-N 3.4Å
49L96.5Very high96.2Very high24 Ų2447.9 Ų47.913%0.12625%0.249CC..  trans-68.8124.3-177.9-164.274.4000110.4L4 L44 L89 A92 I93 P100L4-L49 HydrophobicContact CD2-CD1 3.54Å; L4-L49 HydrophobicContact CD2-CG 4.45Å; L44-L49 HydrophobicContact CD1-CD1 3.97Å; L49-L89 HydrophobicContact CD1-CD2 4.19Å; L49-A92 HydrophobicContact CB-CB 4.13Å; L49-A92 HydrophobicContact CD1-CB 4.26Å; L49-I93 HydrophobicContact CD1-CG1 4.18Å; L49-I93 HydrophobicContact CD2-CG1 3.87Å; L49-P100 HydrophobicContact CD2-CG 4.21Å
50P95.9Very high95.8Very high36 Ų3648 Ų4823%0.23426%0.259CS..  trans-65.8157.8170.631-36.9000110.4L4 I39 C52L4-P50 HydrophobicContact CD1-CG 3.88Å; L4-P50 HydrophobicContact CD2-CG 3.83Å; L4-P50 HydrophobicContact CG-CG 4.48Å; I39-P50 HydrophobicContact CD1-CG 3.94Å; P50-C52 PolarHBondContact O-N 3.02Å
51P95.8Very high95.3Very high91 Ų9149.1 Ų49.159%0.59126%0.263SS*.SBendtrans-55.5114.3176.4-26.135000111.8
52C97.1Very high94.9Very high11 Ų1151.6 Ų51.67%0.07428%0.278CS..  trans-146.3148.9177.865.70000110.8L4 P50L4-C52 HydrophobicContact CB-CB 4.1Å; P50-C52 PolarHBondContact O-N 3.02Å
53D97.4Very high94.4Very high43 Ų4345.1 Ų45.123%0.2325%0.253CS..SBendtrans-92.3-27.4178.4-42.8-41.6000110.2M1 R2 P100 H101M1-D53 WeakPolarHBondContact CA-OD2 3.44Å; M1-D53 HydrophobicContact CB-CB 4.25Å; R2-D53 IonicContact CZ-OD1 3.61Å; R2-D53 PolarHBondContact N-OD2 3.17Å; R2-D53 IonicContact NE-OD1 3.55Å; R2-D53 PolarHBondContact NE-OD1 3.46Å; R2-D53 IonicContact NE-OD2 3.74Å; R2-D53 IonicContact NH2-OD1 2.9Å; R2-D53 PolarHBondContact NH2-OD1 3.25Å; R2-D53 PolarHBondContact O-N 3.04Å; D53-P100 CarbonylContact O-C 3.51Å; D53-P100 WeakPolarHBondContact O-CA 3.46Å; D53-P100 VanDerWaalsContact O-CB 3.25Å; D53-P100 WeakPolarHBondContact O-CB 3.34Å; D53-H101 PolarHBondContact O-CD2 2.8Å; D53-H101 VanDerWaalsContact O-CG 3.23Å; D53-H101 PolarHBondContact O-N 2.84Å; D53-H101 PolarHBondContact O-NE2 2.8Å
54G97.8Very high93.8Very high1 Ų144.4 Ų44.41%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-142.1148.1173.900000112.8R2 V3 L4 S102R2-G54 PolarHBondContact O-N 3.37Å; V3-G54 CarbonylContact C-O 3.59Å; V3-G54 VanDerWaalsContact CA-O 3.31Å; V3-G54 WeakPolarHBondContact CA-O 3.41Å; L4-G54 PolarHBondContact N-O 3.46Å; G54-S102 WeakPolarHBondContact CA-O 3.2Å
55A98.3Very high93.2Very high0 Ų045.9 Ų45.90%026%0.258CS..EExtended strand (participates in β ladder)trans-127.6142.8176.400000111.1L4 I93 P100 S102 W103 V104L4-A55 HydrophobicContact CB-CB 4.4Å; L4-A55 CarbonylContact O-C 3.49Å; L4-A55 WeakPolarHBondContact O-CA 3.47Å; A55-I93 HydrophobicContact CB-CD1 4.05Å; A55-P100 HydrophobicContact CB-CG 4.38Å; A55-S102 PolarHBondContact N-O 2.99Å; A55-W103 HydrophobicContact CB-CE3 3.75Å; A55-W103 HydrophobicContact CB-CZ3 4.08Å; A55-W103 WeakPolarHBondContact O-CA 3.38Å; A55-V104 PolarHBondContact O-N 3.49Å
56V98.6Very high92.4Very high0 Ų043.6 Ų43.60%026%0.255CS..EExtended strand (participates in β ladder)trans-137.9139.9175.158.90000110.8V3 L4 I5 G6 L16 L58 V104 I205V3-V56 HydrophobicContact CG1-CG1 4.48Å; L4-V56 PolarHBondContact O-N 3.34Å; I5-V56 WeakPolarHBondContact CA-O 3.46Å; I5-V56 HydrophobicContact CB-CG1 3.98Å; I5-V56 HydrophobicContact CG1-CG1 3.71Å; I5-V56 HydrophobicContact CG2-CG1 3.84Å; G6-V56 PolarHBondContact N-O 3.4Å; L16-V56 HydrophobicContact CD2-CG1 3.93Å; V56-L58 HydrophobicContact CG2-CD2 3.93Å; V56-L58 HydrophobicContact CG2-CG 4.06Å; V56-V104 CarbonylContact C-O 3.54Å; V56-V104 WeakPolarHBondContact CA-O 3.18Å; V56-V104 HydrophobicContact CB-CB 4.16Å; V56-V104 HydrophobicContact CG2-CB 4.03Å; V56-V104 HydrophobicContact CG2-CG1 4.24Å; V56-V104 WeakPolarHBondContact CG2-O 3.34Å; V56-I205 HydrophobicContact CB-CG2 4.45Å; V56-I205 HydrophobicContact CG2-CG2 3.89Å
57N98.4Very high91.9Very high0 Ų046.5 Ų46.50%026%0.262CS..EExtended strand (participates in β ladder)trans-111.2119.4170.1-16218.4000112.3A59 T85 T86 L89 W103 V104 L105 V106N57-A59 WeakPolarHBondContact OD1-CB 3.48Å; N57-A59 PolarHBondContact OD1-N 3.45Å; N57-T85 PolarHBondContact ND2-OG1 3.02Å; N57-T86 WeakPolarHBondContact ND2-CA 3.4Å; N57-T86 PolarHBondContact ND2-N 2.99Å; N57-T86 PolarHBondContact ND2-OG1 3.36Å; N57-L89 HydrophobicContact CB-CD1 3.81Å; N57-W103 HydrophobicContact CB-CH2 3.66Å; N57-W103 HydrophobicContact CB-CZ3 4.17Å; N57-V104 PolarHBondContact N-O 3.41Å; N57-L105 HydrophobicContact CB-CD1 4.43Å; N57-V106 PolarHBondContact O-N 2.95Å
58L97.2Very high91.4Very high32 Ų3241.4 Ų41.417%0.16824%0.243CC..  trans-118.28.5173.7-52.9176.4000111I5 G6 V12 L16 V56 V106 I205I5-L58 HydrophobicContact CG2-CD1 4Å; I5-L58 HydrophobicContact CG2-CG 4.47Å; G6-L58 CarbonylContact O-C 3.54Å; G6-L58 WeakPolarHBondContact O-CA 3.46Å; G6-L58 WeakPolarHBondContact O-CB 3.47Å; G6-L58 PolarHBondContact O-N 2.92Å; V12-L58 HydrophobicContact CB-CD1 4.37Å; V12-L58 HydrophobicContact CG1-CD1 4.12Å; V12-L58 HydrophobicContact CG1-CD2 4.43Å; L16-L58 HydrophobicContact CD2-CD1 3.99Å; V56-L58 HydrophobicContact CG2-CD2 3.93Å; V56-L58 HydrophobicContact CG2-CG 4.06Å; L58-V106 HydrophobicContact CD2-CB 3.69Å; L58-V106 HydrophobicContact CD2-CG1 4.47Å; L58-V106 HydrophobicContact CD2-CG2 3.27Å; L58-I205 HydrophobicContact CD2-CD1 4.05Å
59A93.1Very high91Very high10 Ų1050.5 Ų50.58%0.08327%0.268CS..  trans-71135.7-17900000111.1G6 W41 N57 T85G6-A59 PolarHBondContact O-N 3.28Å; W41-A59 HydrophobicContact CH2-CB 4.16Å; W41-A59 HydrophobicContact CZ2-CB 3.62Å; N57-A59 WeakPolarHBondContact OD1-CB 3.48Å; N57-A59 PolarHBondContact OD1-N 3.45Å; A59-T85 HydrophobicContact CB-CG2 4.3Å
60G88.3Confident90.6Very high38 Ų3851.6 Ų51.639%0.39227%0.27SS..  trans172.9144.3175.800000111.1
61E85.6Confident90.3Very high42 Ų4253.5 Ų53.520%0.19628%0.279CS..  trans-71.4144.2173.1-174.857.4-11400110.6R32 V63 Y74 L78 S81 R82R32-E61 IonicContact NH1-OE2 3.18Å; E61-V63 PolarHBondContact O-N 2.7Å; E61-Y74 HydrophobicContact CG-CE2 3.66Å; E61-L78 HydrophobicContact CB-CD2 4.07Å; E61-L78 HydrophobicContact CG-CD2 4.31Å; E61-L78 WeakPolarHBondContact O-CD2 3.28Å; E61-S81 WeakPolarHBondContact CB-OG 3.37Å; E61-S81 PolarHBondContact N-OG 3.27Å; E61-R82 VanDerWaalsContact O-CZ 3.25Å; E61-R82 PolarHBondContact O-NH1 2.87Å; E61-R82 PolarHBondContact O-NH2 3.42Å
62N86.1Confident90.1Very high82 Ų8255.5 Ų55.544%0.43928%0.28SS..  trans-74.5109.3-171.6177.3-4000111.6L64 N65 Y74N62-L64 PolarHBondContact O-N 3.23Å; N62-L64 VanDerWaalsContact O-N 3.09Å; N62-L64 PolarHBondContact OD1-N 3.32Å; N62-N65 HydrophobicContact CB-CB 4.24Å; N62-N65 VanDerWaalsContact O-CB 3.29Å; N62-N65 WeakPolarHBondContact O-CB 3.46Å; N62-N65 PolarHBondContact O-N 2.95Å; N62-Y74 PolarHBondContact O-OH 3.47Å
63V84.4Confident89.9Confident29 Ų2958.5 Ų58.518%0.17630%0.301CS..THydrogen-bonded Turntrans-51.1-40.4-178.1-178.60000112.9E61 N65 W70 L78 L132 R267 I270E61-V63 PolarHBondContact O-N 2.7Å; V63-N65 PolarHBondContact O-N 3.34Å; V63-W70 HydrophobicContact CG1-CH2 4.23Å; V63-W70 HydrophobicContact CG1-CZ3 4.43Å; V63-L78 HydrophobicContact CG2-CD2 3.99Å; V63-L132 HydrophobicContact CG1-CD2 4.27Å; V63-R267 PolarHBondContact O-NE 3.38Å; V63-I270 HydrophobicContact CG1-CD1 3.72Å
64L83.4Confident89.6Confident38 Ų3856.4 Ų56.420%0.19929%0.29CS..THydrogen-bonded Turntrans-97.531.4-177.5-61.6176.2000112.7N62 P66 Q173 I270 L271N62-L64 PolarHBondContact O-N 3.23Å; N62-L64 VanDerWaalsContact O-N 3.09Å; N62-L64 PolarHBondContact OD1-N 3.32Å; L64-P66 WeakPolarHBondContact O-CD 3.32Å; L64-Q173 PolarHBondContact O-NE2 2.95Å; L64-I270 HydrophobicContact CD2-CD1 4.11Å; L64-L271 HydrophobicContact CD1-CD2 4.04Å
65N84.8Confident89.3Confident31 Ų3157.7 Ų57.717%0.16630%0.295CS..  trans-69.7111.3175.2-172.2-11.3000110.7N62 V63 L67 R68 Y74 R267N62-N65 HydrophobicContact CB-CB 4.24Å; N62-N65 VanDerWaalsContact O-CB 3.29Å; N62-N65 WeakPolarHBondContact O-CB 3.46Å; N62-N65 PolarHBondContact O-N 2.95Å; V63-N65 PolarHBondContact O-N 3.34Å; N65-L67 PolarHBondContact O-N 3.16Å; N65-L67 WeakPolarHBondContact OD1-CB 3.43Å; N65-L67 PolarHBondContact OD1-N 2.96Å; N65-R68 HydrophobicContact CB-CB 4.4Å; N65-R68 HydrophobicContact CB-CG 4.35Å; N65-R68 PolarHBondContact O-N 2.67Å; N65-Y74 WeakPolarHBondContact CB-OH 3.36Å; N65-R267 PolarHBondContact O-NH1 2.96Å; N65-R267 VanDerWaalsContact O-NH1 3.15Å
66P77.8Confident89.1Confident84 Ų8465.1 Ų65.155%0.54533%0.327SS..THydrogen-bonded Turntrans-71.4-17.1-176.531.2-36.2000112.5L64 R68L64-P66 WeakPolarHBondContact O-CD 3.32Å; P66-R68 VanDerWaalsContact C-N 3.31Å
67L83.9Confident88.9Confident153 Ų15367.7 Ų67.780%0.80134%0.341SS*.THydrogen-bonded Turntrans-84.2-6.4-179.1-58.1176.3000113.1N65N65-L67 PolarHBondContact O-N 3.16Å; N65-L67 WeakPolarHBondContact OD1-CB 3.43Å; N65-L67 PolarHBondContact OD1-N 2.96Å
68R85.1Confident88.6Confident93 Ų9367.8 Ų67.835%0.35134%0.341SS..SBendtrans-113.8121.4-178.1-68.9-75.9-68.2-141.50.8109.5N65 P66 Y74 D77 R267N65-R68 HydrophobicContact CB-CB 4.4Å; N65-R68 HydrophobicContact CB-CG 4.35Å; N65-R68 PolarHBondContact O-N 2.67Å; P66-R68 VanDerWaalsContact C-N 3.31Å; R68-Y74 HydrophobicContact CB-CD2 3.96Å; R68-Y74 HydrophobicContact CB-CE1 4.38Å; R68-Y74 HydrophobicContact CB-CE2 3.67Å; R68-Y74 HydrophobicContact CB-CG 4.36Å; R68-Y74 HydrophobicContact CG-CD2 4.22Å; R68-Y74 HydrophobicContact CG-CE2 3.72Å; R68-Y74 VanDerWaalsContact NE-CD2 3.34Å; R68-D77 IonicContact CZ-OD2 3.81Å; R68-D77 IonicContact NH2-OD2 3.52Å; R68-D77 PolarHBondContact NH2-OD2 3.09Å; R68-R267 PolarHBondContact O-NH1 2.74Å; R68-R267 VanDerWaalsContact O-NH1 3.09Å; R68-R267 PolarHBondContact O-NH2 3.17Å
69W84.8Confident88.5Confident222 Ų22267.9 Ų67.984%0.84134%0.341SS*.  trans-59.7142.2170.6-87.5-73.1000111.7N71 Y74W69-N71 PolarHBondContact O-N 3.1Å; W69-N71 VanDerWaalsContact O-N 3.11Å; W69-Y74 WeakPolarHBondContact O-CB 3.34Å
70W87.9Confident88.5Confident48 Ų4869.1 Ų69.118%0.18235%0.349CS..  trans-82.185.5176.6-164.7-107.8000110.5V63 Y74 K75 L78 L131 E266 R267V63-W70 HydrophobicContact CG1-CH2 4.23Å; V63-W70 HydrophobicContact CG1-CZ3 4.43Å; W70-Y74 AromaticContact CE3-CD1 3.49Å; W70-Y74 HydrophobicContact CE3-CD1 3.49Å; W70-Y74 VanDerWaalsContact CE3-CD1 3.49Å; W70-Y74 AromaticContact CE3-CE1 3.86Å; W70-Y74 HydrophobicContact CE3-CE1 3.86Å; W70-Y74 AromaticContact CZ3-CD1 3.67Å; W70-Y74 HydrophobicContact CZ3-CD1 3.67Å; W70-Y74 AromaticContact CZ3-CE1 3.69Å; W70-Y74 HydrophobicContact CZ3-CE1 3.69Å; W70-K75 HydrophobicContact CZ2-CG 4.5Å; W70-L78 HydrophobicContact CH2-CD1 3.54Å; W70-L78 HydrophobicContact CZ3-CD1 3.47Å; W70-L78 VanDerWaalsContact CZ3-CD1 3.47Å; W70-L131 HydrophobicContact CZ2-CD2 3.9Å; W70-E266 HydrophobicContact CZ2-CB 4.25Å; W70-E266 PolarHBondContact NE1-OE2 3.28Å; W70-R267 HydrophobicContact CD2-CG 3.86Å; W70-R267 HydrophobicContact CE3-CG 3.76Å; W70-R267 VanDerWaalsContact CE3-NH2 3.3Å; W70-R267 HydrophobicContact CG-CG 4.45Å; W70-R267 HydrophobicContact CH2-CG 4.04Å; W70-R267 HydrophobicContact CZ2-CG 4.23Å; W70-R267 HydrophobicContact CZ3-CG 3.79Å
71N89.8Confident88.8Confident76 Ų7668.7 Ų68.741%0.40634%0.34SS..SBendtrans-128.1171.4178.863.931.9000111.1W69 S73 Y74 K75W69-N71 PolarHBondContact O-N 3.1Å; W69-N71 VanDerWaalsContact O-N 3.11Å; N71-S73 VanDerWaalsContact C-N 3.26Å; N71-S73 PolarHBondContact O-N 3.33Å; N71-S73 WeakPolarHBondContact OD1-CB 3.5Å; N71-S73 PolarHBondContact OD1-N 2.92Å; N71-Y74 WeakPolarHBondContact O-CB 3.36Å; N71-Y74 PolarHBondContact O-N 2.9Å; N71-Y74 PolarHBondContact OD1-N 3.28Å; N71-K75 WeakPolarHBondContact O-CG 3.47Å; N71-K75 PolarHBondContact O-N 3.42Å
72E91.6Very high89.3Confident133 Ų13367.8 Ų67.862%0.62134%0.335SS*.Hα-helixtrans-59.5-34.6-177.6-64.7-52.4123.900113.4Y74 K75 K76E72-Y74 VanDerWaalsContact C-N 3.32Å; E72-Y74 PolarHBondContact O-N 2.95Å; E72-K75 PolarHBondContact O-N 3.44Å; E72-K75 WeakPolarHBondContact OE1-CD 3.37Å; E72-K75 WeakPolarHBondContact OE1-CE 3.38Å; E72-K75 IonicContact OE1-NZ 3.67Å; E72-K75 PolarHBondContact OE1-NZ 2.81Å; E72-K76 WeakPolarHBondContact O-CB 3.42Å; E72-K76 PolarHBondContact O-N 2.88Å
73S92.9Very high89.9Confident73 Ų7365.2 Ų65.251%0.5132%0.32SS..Hα-helixtrans-62.5-40.9173.8-1760000111.4N71 K76 D77N71-S73 VanDerWaalsContact C-N 3.26Å; N71-S73 PolarHBondContact O-N 3.33Å; N71-S73 WeakPolarHBondContact OD1-CB 3.5Å; N71-S73 PolarHBondContact OD1-N 2.92Å; S73-K76 PolarHBondContact O-N 3.31Å; S73-D77 VanDerWaalsContact O-CG 3.27Å; S73-D77 PolarHBondContact O-N 3.33Å
74Y91.9Very high90.5Very high0 Ų068.3 Ų68.30%034%0.336CS..Hα-helixtrans-69.9-38.8177.8-169.6-117.5000112.5E61 N62 N65 R68 W69 W70 N71 E72 K76 D77 L78 R267E61-Y74 HydrophobicContact CG-CE2 3.66Å; N62-Y74 PolarHBondContact O-OH 3.47Å; N65-Y74 WeakPolarHBondContact CB-OH 3.36Å; R68-Y74 HydrophobicContact CB-CD2 3.96Å; R68-Y74 HydrophobicContact CB-CE1 4.38Å; R68-Y74 HydrophobicContact CB-CE2 3.67Å; R68-Y74 HydrophobicContact CB-CG 4.36Å; R68-Y74 HydrophobicContact CG-CD2 4.22Å; R68-Y74 HydrophobicContact CG-CE2 3.72Å; R68-Y74 VanDerWaalsContact NE-CD2 3.34Å; W69-Y74 WeakPolarHBondContact O-CB 3.34Å; W70-Y74 AromaticContact CE3-CD1 3.49Å; W70-Y74 HydrophobicContact CE3-CD1 3.49Å; W70-Y74 VanDerWaalsContact CE3-CD1 3.49Å; W70-Y74 AromaticContact CE3-CE1 3.86Å; W70-Y74 HydrophobicContact CE3-CE1 3.86Å; W70-Y74 AromaticContact CZ3-CD1 3.67Å; W70-Y74 HydrophobicContact CZ3-CD1 3.67Å; W70-Y74 AromaticContact CZ3-CE1 3.69Å; W70-Y74 HydrophobicContact CZ3-CE1 3.69Å; N71-Y74 WeakPolarHBondContact O-CB 3.36Å; N71-Y74 PolarHBondContact O-N 2.9Å; N71-Y74 PolarHBondContact OD1-N 3.28Å; E72-Y74 VanDerWaalsContact C-N 3.32Å; E72-Y74 PolarHBondContact O-N 2.95Å; Y74-K76 VanDerWaalsContact C-N 3.31Å; Y74-K76 PolarHBondContact O-N 3.09Å; Y74-D77 PolarHBondContact O-N 3.18Å; Y74-L78 HydrophobicContact CD1-CD1 3.95Å; Y74-L78 HydrophobicContact CD1-CG 4.21Å; Y74-L78 HydrophobicContact CE1-CD1 3.81Å; Y74-L78 HydrophobicContact CE1-CD2 4.11Å; Y74-L78 HydrophobicContact CE1-CG 3.97Å; Y74-L78 WeakPolarHBondContact O-CG 3.45Å; Y74-L78 PolarHBondContact O-N 3.47Å; Y74-R267 VanDerWaalsContact CD1-NH2 3.29Å
75K92.3Very high91.1Very high27 Ų2767.4 Ų67.412%0.11733%0.332CS..Hα-helixtrans-59.8-43.8173.1-64178.1-177.1176.60110.7W70 N71 E72 D77 L78 F79 L131 E266W70-K75 HydrophobicContact CZ2-CG 4.5Å; N71-K75 WeakPolarHBondContact O-CG 3.47Å; N71-K75 PolarHBondContact O-N 3.42Å; E72-K75 PolarHBondContact O-N 3.44Å; E72-K75 WeakPolarHBondContact OE1-CD 3.37Å; E72-K75 WeakPolarHBondContact OE1-CE 3.38Å; E72-K75 IonicContact OE1-NZ 3.67Å; E72-K75 PolarHBondContact OE1-NZ 2.81Å; K75-D77 PolarHBondContact O-N 2.98Å; K75-L78 WeakPolarHBondContact O-CB 3.43Å; K75-L78 PolarHBondContact O-N 2.9Å; K75-F79 VanDerWaalsContact O-CD2 3.31Å; K75-F79 WeakPolarHBondContact O-CD2 3.34Å; K75-F79 PolarHBondContact O-N 3.32Å; K75-F79 VanDerWaalsContact O-N 3.14Å; K75-L131 HydrophobicContact CB-CD2 4.31Å; K75-L131 HydrophobicContact CD-CD2 3.73Å; K75-L131 HydrophobicContact CG-CD2 3.78Å; K75-E266 WeakPolarHBondContact CE-OE2 3.33Å; K75-E266 IonicContact NZ-OE1 2.61Å; K75-E266 PolarHBondContact NZ-OE1 3.23Å; K75-E266 IonicContact NZ-OE2 3.38Å; K75-E266 PolarHBondContact NZ-OE2 3.23Å
76K93.4Very high91.7Very high157 Ų15765.9 Ų65.968%0.68332%0.324SS*.Hα-helixtrans-60.1-45.2174-172.9176.8-179.5178.30112.2E72 S73 Y74 L78 F79 S80E72-K76 WeakPolarHBondContact O-CB 3.42Å; E72-K76 PolarHBondContact O-N 2.88Å; S73-K76 PolarHBondContact O-N 3.31Å; Y74-K76 VanDerWaalsContact C-N 3.31Å; Y74-K76 PolarHBondContact O-N 3.09Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.43Å; K76-F79 PolarHBondContact O-N 3.07Å; K76-S80 PolarHBondContact O-N 3.05Å; K76-S80 PolarHBondContact O-OG 2.89Å; K76-S80 VanDerWaalsContact O-OG 3.13Å
77D93.3Very high92.7Very high54 Ų5466.8 Ų66.829%0.28932%0.319SS..Hα-helixtrans-62.9-35.4176.8-70.1-11.5000112.1R68 S73 Y74 K75 S80 S81R68-D77 IonicContact CZ-OD2 3.81Å; R68-D77 IonicContact NH2-OD2 3.52Å; R68-D77 PolarHBondContact NH2-OD2 3.09Å; S73-D77 VanDerWaalsContact O-CG 3.27Å; S73-D77 PolarHBondContact O-N 3.33Å; Y74-D77 PolarHBondContact O-N 3.18Å; K75-D77 PolarHBondContact O-N 2.98Å; D77-S80 WeakPolarHBondContact CA-OG 3.18Å; D77-S80 PolarHBondContact O-OG 2.82Å; D77-S81 WeakPolarHBondContact O-CB 3.44Å; D77-S81 PolarHBondContact O-N 3.41Å; D77-S81 PolarHBondContact O-OG 2.9Å
78L92.2Very high93.3Very high1 Ų160 Ų601%0.00529%0.286CS..Hα-helixtrans-63.3-41.8175.6-75.4173000111.9E61 V63 W70 Y74 K75 K76 S81 R82E61-L78 HydrophobicContact CB-CD2 4.07Å; E61-L78 HydrophobicContact CG-CD2 4.31Å; E61-L78 WeakPolarHBondContact O-CD2 3.28Å; V63-L78 HydrophobicContact CG2-CD2 3.99Å; W70-L78 HydrophobicContact CH2-CD1 3.54Å; W70-L78 HydrophobicContact CZ3-CD1 3.47Å; W70-L78 VanDerWaalsContact CZ3-CD1 3.47Å; Y74-L78 HydrophobicContact CD1-CD1 3.95Å; Y74-L78 HydrophobicContact CD1-CG 4.21Å; Y74-L78 HydrophobicContact CE1-CD1 3.81Å; Y74-L78 HydrophobicContact CE1-CD2 4.11Å; Y74-L78 HydrophobicContact CE1-CG 3.97Å; Y74-L78 WeakPolarHBondContact O-CG 3.45Å; Y74-L78 PolarHBondContact O-N 3.47Å; K75-L78 WeakPolarHBondContact O-CB 3.43Å; K75-L78 PolarHBondContact O-N 2.9Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.43Å; L78-S81 PolarHBondContact O-OG 3.35Å; L78-R82 WeakPolarHBondContact O-CD 3.32Å; L78-R82 WeakPolarHBondContact O-CG 3.15Å; L78-R82 PolarHBondContact O-NH1 3.28Å
79F95.4Very high93.9Very high35 Ų3555.7 Ų55.715%0.15427%0.269CS..Hα-helixtrans-69.9-54.9177.1-84.9-116.2000111K75 K76 S81 R82 I83 L131 Q134 L135K75-F79 VanDerWaalsContact O-CD2 3.31Å; K75-F79 WeakPolarHBondContact O-CD2 3.34Å; K75-F79 PolarHBondContact O-N 3.32Å; K75-F79 VanDerWaalsContact O-N 3.14Å; K76-F79 PolarHBondContact O-N 3.07Å; F79-S81 PolarHBondContact O-N 2.92Å; F79-R82 PolarHBondContact O-N 2.95Å; F79-R82 VanDerWaalsContact O-N 3.1Å; F79-I83 HydrophobicContact CB-CD1 4.05Å; F79-I83 HydrophobicContact CD1-CD1 3.54Å; F79-I83 HydrophobicContact CE1-CD1 4.4Å; F79-I83 HydrophobicContact CG-CD1 4.17Å; F79-I83 WeakPolarHBondContact O-CB 3.36Å; F79-I83 WeakPolarHBondContact O-CG1 3.33Å; F79-I83 PolarHBondContact O-N 2.89Å; F79-L131 HydrophobicContact CE2-CD1 3.69Å; F79-L131 HydrophobicContact CE2-CG 4Å; F79-L131 HydrophobicContact CZ-CD1 3.93Å; F79-L131 HydrophobicContact CZ-CG 4.42Å; F79-Q134 HydrophobicContact CE1-CG 4.47Å; F79-Q134 HydrophobicContact CZ-CG 4.48Å; F79-L135 HydrophobicContact CB-CD1 4.4Å; F79-L135 HydrophobicContact CD1-CD1 4.07Å; F79-L135 HydrophobicContact CD2-CB 4.4Å; F79-L135 HydrophobicContact CD2-CD1 3.91Å; F79-L135 HydrophobicContact CE1-CB 4.21Å; F79-L135 HydrophobicContact CE1-CD1 4.3Å; F79-L135 HydrophobicContact CE2-CB 3.78Å; F79-L135 HydrophobicContact CE2-CD1 4.15Å; F79-L135 HydrophobicContact CE2-CG 4.4Å; F79-L135 HydrophobicContact CG-CD1 3.87Å; F79-L135 HydrophobicContact CZ-CB 3.67Å; F79-L135 HydrophobicContact CZ-CD1 4.34Å
80S94.4Very high94.5Very high36 Ų3645.5 Ų45.525%0.25223%0.232SC..Hα-helixtrans-60.7-42.4-176.561.20000112.7K76 D77 R82 D84K76-S80 PolarHBondContact O-N 3.05Å; K76-S80 PolarHBondContact O-OG 2.89Å; K76-S80 VanDerWaalsContact O-OG 3.13Å; D77-S80 WeakPolarHBondContact CA-OG 3.18Å; D77-S80 PolarHBondContact O-OG 2.82Å; S80-R82 PolarHBondContact O-N 3.29Å; S80-D84 WeakPolarHBondContact CA-OD2 3.26Å; S80-D84 WeakPolarHBondContact CB-OD2 3.32Å; S80-D84 VanDerWaalsContact O-CB 3.24Å; S80-D84 WeakPolarHBondContact O-CB 3.21Å; S80-D84 PolarHBondContact O-N 3.5Å; S80-D84 VanDerWaalsContact O-N 3.1Å
81S94.2Very high95Very high29 Ų2948.3 Ų48.320%0.20325%0.247CC..Hα-helixtrans-60.6-18.1179.562.60000114.2E61 D77 L78 F79 T85E61-S81 WeakPolarHBondContact CB-OG 3.37Å; E61-S81 PolarHBondContact N-OG 3.27Å; D77-S81 WeakPolarHBondContact O-CB 3.44Å; D77-S81 PolarHBondContact O-N 3.41Å; D77-S81 PolarHBondContact O-OG 2.9Å; L78-S81 PolarHBondContact O-OG 3.35Å; F79-S81 PolarHBondContact O-N 2.92Å; S81-T85 WeakPolarHBondContact O-CG2 3.29Å; S81-T85 PolarHBondContact O-OG1 3.21Å
82R96.4Very high95.4Very high23 Ų2345.3 Ų45.39%0.08723%0.233CC..Hα-helixtrans-108.5-54.1-177.5-73.3173.7167.575.36112.2E61 L78 F79 S80 T85 T86 L135 W139E61-R82 VanDerWaalsContact O-CZ 3.25Å; E61-R82 PolarHBondContact O-NH1 2.87Å; E61-R82 PolarHBondContact O-NH2 3.42Å; L78-R82 WeakPolarHBondContact O-CD 3.32Å; L78-R82 WeakPolarHBondContact O-CG 3.15Å; L78-R82 PolarHBondContact O-NH1 3.28Å; F79-R82 PolarHBondContact O-N 2.95Å; F79-R82 VanDerWaalsContact O-N 3.1Å; S80-R82 PolarHBondContact O-N 3.29Å; R82-T85 PolarHBondContact O-OG1 2.89Å; R82-T86 WeakPolarHBondContact O-CB 3.34Å; R82-T86 PolarHBondContact O-N 3.26Å; R82-T86 PolarHBondContact O-OG1 3.34Å; R82-L135 HydrophobicContact CB-CD1 4.44Å; R82-W139 HydrophobicContact CB-CD2 3.72Å; R82-W139 HydrophobicContact CB-CE3 4.25Å; R82-W139 HydrophobicContact CB-CG 4.04Å; R82-W139 HydrophobicContact CB-CH2 4.44Å; R82-W139 HydrophobicContact CB-CZ2 3.93Å; R82-W139 VanDerWaalsContact CD-CE3 3.44Å; R82-W139 HydrophobicContact CG-CD2 3.97Å; R82-W139 HydrophobicContact CG-CE3 4.08Å; R82-W139 HydrophobicContact CG-CH2 3.68Å; R82-W139 HydrophobicContact CG-CZ2 3.53Å; R82-W139 HydrophobicContact CG-CZ3 3.95Å; R82-W139 PolarHBondContact O-NE1 3.01Å
83I97.2Very high95.6Very high27 Ų2739 Ų3914%0.13820%0.204CC..Hα-helixtrans-69.2-50.1-174.9-64.7169.2000109.6F79 T85 T86 K87 L135 E138 A142F79-I83 HydrophobicContact CB-CD1 4.05Å; F79-I83 HydrophobicContact CD1-CD1 3.54Å; F79-I83 HydrophobicContact CE1-CD1 4.4Å; F79-I83 HydrophobicContact CG-CD1 4.17Å; F79-I83 WeakPolarHBondContact O-CB 3.36Å; F79-I83 WeakPolarHBondContact O-CG1 3.33Å; F79-I83 PolarHBondContact O-N 2.89Å; I83-T85 PolarHBondContact O-N 2.7Å; I83-T86 PolarHBondContact O-N 2.71Å; I83-K87 VanDerWaalsContact O-CB 3.24Å; I83-K87 WeakPolarHBondContact O-CB 3.35Å; I83-K87 PolarHBondContact O-N 3.21Å; I83-L135 HydrophobicContact CD1-CD1 4.4Å; I83-E138 HydrophobicContact CD1-CB 3.61Å; I83-E138 WeakPolarHBondContact CD1-OE2 3.37Å; I83-E138 HydrophobicContact CG1-CB 4.28Å; I83-A142 HydrophobicContact CG2-CB 4.12Å
84D96.8Very high95.8Very high95 Ų9537 Ų3751%0.50819%0.191SC..Hα-helixtrans-66.1-42.6-175.8-56.1-18.6000110.9S80 T86 K87 A88S80-D84 WeakPolarHBondContact CA-OD2 3.26Å; S80-D84 WeakPolarHBondContact CB-OD2 3.32Å; S80-D84 VanDerWaalsContact O-CB 3.24Å; S80-D84 WeakPolarHBondContact O-CB 3.21Å; S80-D84 PolarHBondContact O-N 3.5Å; S80-D84 VanDerWaalsContact O-N 3.1Å; D84-T86 VanDerWaalsContact C-N 3.35Å; D84-T86 PolarHBondContact O-N 3.47Å; D84-K87 PolarHBondContact O-N 3.32Å; D84-A88 WeakPolarHBondContact O-CB 3.41Å; D84-A88 PolarHBondContact O-N 3.46Å
85T96.8Very high96Very high18 Ų1841.3 Ų41.311%0.1123%0.227CC..Hα-helixtrans-66.8-36.9178.360.80000112.4W41 N57 A59 S81 R82 I83 L89W41-T85 HydrophobicContact CD2-CG2 3.92Å; W41-T85 HydrophobicContact CE3-CG2 4.13Å; W41-T85 HydrophobicContact CH2-CG2 4.07Å; W41-T85 HydrophobicContact CZ2-CG2 3.83Å; W41-T85 HydrophobicContact CZ3-CG2 4.2Å; W41-T85 VanDerWaalsContact CZ3-O 3.26Å; W41-T85 WeakPolarHBondContact CZ3-O 3.5Å; N57-T85 PolarHBondContact ND2-OG1 3.02Å; A59-T85 HydrophobicContact CB-CG2 4.3Å; S81-T85 WeakPolarHBondContact O-CG2 3.29Å; S81-T85 PolarHBondContact O-OG1 3.21Å; R82-T85 PolarHBondContact O-OG1 2.89Å; I83-T85 PolarHBondContact O-N 2.7Å; T85-L89 PolarHBondContact O-N 3.47Å
86T98.1Very high96.1Very high0 Ų041.3 Ų41.30%023%0.23CC..Hα-helixtrans-70.4-43.3177.1-60.30000110.9N57 R82 I83 D84 L89 S90 W103 L105 W139 A142 A143N57-T86 WeakPolarHBondContact ND2-CA 3.4Å; N57-T86 PolarHBondContact ND2-N 2.99Å; N57-T86 PolarHBondContact ND2-OG1 3.36Å; R82-T86 WeakPolarHBondContact O-CB 3.34Å; R82-T86 PolarHBondContact O-N 3.26Å; R82-T86 PolarHBondContact O-OG1 3.34Å; I83-T86 PolarHBondContact O-N 2.71Å; D84-T86 VanDerWaalsContact C-N 3.35Å; D84-T86 PolarHBondContact O-N 3.47Å; T86-L89 PolarHBondContact O-N 3.2Å; T86-S90 PolarHBondContact O-N 3.43Å; T86-S90 PolarHBondContact O-OG 3.04Å; T86-W103 HydrophobicContact CG2-CZ2 4.13Å; T86-L105 HydrophobicContact CG2-CD1 4.16Å; T86-W139 VanDerWaalsContact OG1-CD1 3.27Å; T86-W139 PolarHBondContact OG1-NE1 3.09Å; T86-A142 HydrophobicContact CG2-CB 4.14Å; T86-A143 HydrophobicContact CG2-CB 3.55Å
87K97.6Very high96.1Very high103 Ų10339.8 Ų39.845%0.44824%0.239SC..Hα-helixtrans-61.6-46176.4-176.7174.4174.7179.80111.7I83 D84 L89 S90 E91 A142I83-K87 VanDerWaalsContact O-CB 3.24Å; I83-K87 WeakPolarHBondContact O-CB 3.35Å; I83-K87 PolarHBondContact O-N 3.21Å; D84-K87 PolarHBondContact O-N 3.32Å; K87-L89 PolarHBondContact O-N 2.97Å; K87-S90 WeakPolarHBondContact CA-OG 3.37Å; K87-S90 PolarHBondContact O-N 3.48Å; K87-S90 PolarHBondContact O-OG 3.45Å; K87-S90 VanDerWaalsContact O-OG 3.05Å; K87-E91 WeakPolarHBondContact CE-OE1 3.41Å; K87-E91 HydrophobicContact CG-CG 4.21Å; K87-E91 IonicContact NZ-OE1 2.57Å; K87-E91 WeakPolarHBondContact O-CB 3.25Å; K87-E91 VanDerWaalsContact O-CG 3.3Å; K87-E91 WeakPolarHBondContact O-CG 3.18Å; K87-E91 PolarHBondContact O-N 3.03Å; K87-A142 HydrophobicContact CB-CB 4.45Å
88A97.5Very high96.1Very high11 Ų1141 Ų419%0.09125%0.252CS..Hα-helixtrans-58.2-38.9176.900000112.1L44 E45 D84 A92L44-A88 HydrophobicContact CD2-CB 4.27Å; E45-A88 HydrophobicContact CG-CB 4.28Å; D84-A88 WeakPolarHBondContact O-CB 3.41Å; D84-A88 PolarHBondContact O-N 3.46Å; A88-A92 WeakPolarHBondContact O-CB 3.4Å; A88-A92 PolarHBondContact O-N 3.1Å
89L97.9Very high96.3Very high1 Ų142.9 Ų42.91%0.00526%0.264CS..Hα-helixtrans-71.8-45.7176.2-91.2165.2000113L4 I30 W41 L44 L49 N57 T85 T86 K87 E91 A92 I93 W103L4-L89 HydrophobicContact CD2-CD2 4.11Å; I30-L89 HydrophobicContact CD1-CD1 4.22Å; I30-L89 HydrophobicContact CD1-CD2 3.72Å; I30-L89 HydrophobicContact CD1-CG 4.16Å; W41-L89 HydrophobicContact CH2-CD1 3.74Å; W41-L89 HydrophobicContact CH2-CG 4.44Å; W41-L89 HydrophobicContact CZ3-CD1 3.73Å; W41-L89 HydrophobicContact CZ3-CG 3.93Å; L44-L89 HydrophobicContact CD1-CD2 4.43Å; L44-L89 HydrophobicContact CD2-CD2 3.92Å; L44-L89 HydrophobicContact CD2-CG 3.84Å; L49-L89 HydrophobicContact CD1-CD2 4.19Å; N57-L89 HydrophobicContact CB-CD1 3.81Å; T85-L89 PolarHBondContact O-N 3.47Å; T86-L89 PolarHBondContact O-N 3.2Å; K87-L89 PolarHBondContact O-N 2.97Å; L89-E91 VanDerWaalsContact C-N 3.34Å; L89-E91 PolarHBondContact O-N 3.34Å; L89-A92 PolarHBondContact O-N 3.03Å; L89-I93 WeakPolarHBondContact O-CB 3.46Å; L89-I93 WeakPolarHBondContact O-CD1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.19Å; L89-I93 PolarHBondContact O-N 3.5Å; L89-W103 HydrophobicContact CB-CH2 3.48Å; L89-W103 VanDerWaalsContact CB-CH2 3.48Å; L89-W103 HydrophobicContact CB-CZ2 4.2Å; L89-W103 HydrophobicContact CB-CZ3 3.98Å; L89-W103 HydrophobicContact CD1-CH2 3.78Å; L89-W103 HydrophobicContact CD1-CZ3 3.95Å; L89-W103 HydrophobicContact CD2-CZ3 4.43Å; L89-W103 HydrophobicContact CG-CH2 4.17Å; L89-W103 HydrophobicContact CG-CZ3 4.35Å
90S97.6Very high96.3Very high9 Ų941.3 Ų41.36%0.06326%0.258CS..Hα-helixtrans-64.8-39.7179.861.40000111.5T86 K87 I93 A94 A142 L145T86-S90 PolarHBondContact O-N 3.43Å; T86-S90 PolarHBondContact O-OG 3.04Å; K87-S90 WeakPolarHBondContact CA-OG 3.37Å; K87-S90 PolarHBondContact O-N 3.48Å; K87-S90 PolarHBondContact O-OG 3.45Å; K87-S90 VanDerWaalsContact O-OG 3.05Å; S90-I93 PolarHBondContact O-N 2.91Å; S90-A94 WeakPolarHBondContact O-CB 3.25Å; S90-A94 PolarHBondContact O-N 3.19Å; S90-A142 WeakPolarHBondContact CB-O 2.79Å; S90-A142 PolarHBondContact OG-O 3.2Å; S90-L145 VanDerWaalsContact O-CD2 3.32Å; S90-L145 WeakPolarHBondContact O-CD2 3.43Å
91E97.4Very high96.4Very high107 Ų10741.9 Ų41.950%0.526%0.256SS..Hα-helixtrans-64.9-44.1173.6-71.1177.4162.200111.8K87 L89 I93 A94 A95K87-E91 WeakPolarHBondContact CE-OE1 3.41Å; K87-E91 HydrophobicContact CG-CG 4.21Å; K87-E91 IonicContact NZ-OE1 2.57Å; K87-E91 WeakPolarHBondContact O-CB 3.25Å; K87-E91 VanDerWaalsContact O-CG 3.3Å; K87-E91 WeakPolarHBondContact O-CG 3.18Å; K87-E91 PolarHBondContact O-N 3.03Å; L89-E91 VanDerWaalsContact C-N 3.34Å; L89-E91 PolarHBondContact O-N 3.34Å; E91-I93 VanDerWaalsContact C-N 3.32Å; E91-I93 PolarHBondContact O-N 3.5Å; E91-A94 PolarHBondContact O-N 2.92Å; E91-A95 WeakPolarHBondContact O-CB 3.5Å; E91-A95 PolarHBondContact O-N 3.19Å
92A97.7Very high96.5Very high13 Ų1340.5 Ų40.511%0.10725%0.247CC..Hα-helixtrans-64.3-36.3176.800000112.6L44 L49 A88 L89 S96L44-A92 HydrophobicContact CD1-CB 3.95Å; L44-A92 HydrophobicContact CG-CB 4.17Å; L49-A92 HydrophobicContact CB-CB 4.13Å; L49-A92 HydrophobicContact CD1-CB 4.26Å; A88-A92 WeakPolarHBondContact O-CB 3.4Å; A88-A92 PolarHBondContact O-N 3.1Å; L89-A92 PolarHBondContact O-N 3.03Å; A92-S96 PolarHBondContact O-N 3.35Å
93I97.5Very high96.5Very high1 Ų139.6 Ų39.61%0.00524%0.243CC..Hα-helixtrans-65.7-48.3173.5-71.4164000110.5L49 A55 L89 S90 E91 A95 S96 P100 W103 L145 T153L49-I93 HydrophobicContact CD1-CG1 4.18Å; L49-I93 HydrophobicContact CD2-CG1 3.87Å; A55-I93 HydrophobicContact CB-CD1 4.05Å; L89-I93 WeakPolarHBondContact O-CB 3.46Å; L89-I93 WeakPolarHBondContact O-CD1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.19Å; L89-I93 PolarHBondContact O-N 3.5Å; S90-I93 PolarHBondContact O-N 2.91Å; E91-I93 VanDerWaalsContact C-N 3.32Å; E91-I93 PolarHBondContact O-N 3.5Å; I93-A95 VanDerWaalsContact C-N 3.28Å; I93-A95 PolarHBondContact O-N 2.84Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 3.05Å; I93-P100 HydrophobicContact CD1-CG 4.35Å; I93-P100 HydrophobicContact CG1-CG 4.05Å; I93-P100 HydrophobicContact CG2-CG 4.26Å; I93-W103 HydrophobicContact CD1-CB 4.13Å; I93-W103 HydrophobicContact CD1-CD2 3.59Å; I93-W103 HydrophobicContact CD1-CE3 3.49Å; I93-W103 VanDerWaalsContact CD1-CE3 3.49Å; I93-W103 HydrophobicContact CD1-CG 3.88Å; I93-W103 HydrophobicContact CD1-CZ3 4.07Å; I93-L145 HydrophobicContact CB-CD2 4.03Å; I93-L145 HydrophobicContact CG2-CD1 3.76Å; I93-L145 HydrophobicContact CG2-CD2 3.75Å; I93-L145 HydrophobicContact CG2-CG 4.45Å; I93-T153 HydrophobicContact CG2-CG2 4.2Å
94A96.3Very high96.6Very high30 Ų3038.3 Ų38.325%0.24824%0.236CC..Hα-helixtrans-64.7-31.4-178.500000113.3S90 E91 P146 A149S90-A94 WeakPolarHBondContact O-CB 3.25Å; S90-A94 PolarHBondContact O-N 3.19Å; E91-A94 PolarHBondContact O-N 2.92Å; A94-P146 HydrophobicContact CB-CG 3.74Å; A94-A149 HydrophobicContact CB-CB 4.12Å
95A96Very high96.7Very high90 Ų9033.8 Ų33.874%0.74421%0.212SC*.THydrogen-bonded Turntrans-85.5-7.7177.800000113.9E91 I93E91-A95 WeakPolarHBondContact O-CB 3.5Å; E91-A95 PolarHBondContact O-N 3.19Å; I93-A95 VanDerWaalsContact C-N 3.28Å; I93-A95 PolarHBondContact O-N 2.84Å
96S95.6Very high96.7Very high28 Ų2833.6 Ų33.620%0.19621%0.211CC..  trans-72.7135.1-176.6-175.70000111.9A92 I93 S98A92-S96 PolarHBondContact O-N 3.35Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 3.05Å; S96-S98 PolarHBondContact O-N 3.41Å; S96-S98 PolarHBondContact OG-N 3.39Å; S96-S98 VanDerWaalsContact OG-N 3.14Å; S96-S98 PolarHBondContact OG-O 3Å; S96-S98 VanDerWaalsContact OG-O 3.05Å
97S92.9Very high96.7Very high125 Ų12534 Ų3487%0.87421%0.214SC*.SBendtrans-71.1-19.9169.958.40000113
98S93.3Very high96.6Very high78 Ų7829.8 Ų29.855%0.54520%0.2SC..SBendtrans-134.274.5177.441.30000108.5S96S96-S98 PolarHBondContact O-N 3.41Å; S96-S98 PolarHBondContact OG-N 3.39Å; S96-S98 VanDerWaalsContact OG-N 3.14Å; S96-S98 PolarHBondContact OG-O 3Å; S96-S98 VanDerWaalsContact OG-O 3.05Å
99P95.2Very high96.6Very high42 Ų4229.8 Ų29.827%0.27320%0.199SC..  trans-67.7150.8-176.829.4-35000111
100P96.5Very high96.4Very high2 Ų231 Ų311%0.01321%0.208CC..  trans-61.6150.9173.827.2-34.9000110.5L49 D53 A55 I93 S102 T153L49-P100 HydrophobicContact CD2-CG 4.21Å; D53-P100 CarbonylContact O-C 3.51Å; D53-P100 WeakPolarHBondContact O-CA 3.46Å; D53-P100 VanDerWaalsContact O-CB 3.25Å; D53-P100 WeakPolarHBondContact O-CB 3.34Å; A55-P100 HydrophobicContact CB-CG 4.38Å; I93-P100 HydrophobicContact CD1-CG 4.35Å; I93-P100 HydrophobicContact CG1-CG 4.05Å; I93-P100 HydrophobicContact CG2-CG 4.26Å; P100-S102 PolarHBondContact O-N 3.41Å; P100-T153 HydrophobicContact CG-CG2 4.46Å; P100-T153 WeakPolarHBondContact O-CG2 3.24Å; P100-T153 PolarHBondContact O-OG1 2.87Å; P100-T153 VanDerWaalsContact O-OG1 3.09Å
101H95.3Very high96.4Very high48 Ų4830.5 Ų30.522%0.22221%0.205CC..SBendtrans-72.2-13.5174.457.975.3000112.5D53 K154 L209D53-H101 PolarHBondContact O-CD2 2.8Å; D53-H101 VanDerWaalsContact O-CG 3.23Å; D53-H101 PolarHBondContact O-N 2.84Å; D53-H101 PolarHBondContact O-NE2 2.8Å; H101-K154 WeakPolarHBondContact O-CB 3.49Å; H101-K154 PolarHBondContact O-N 3Å; H101-L209 PolarHBondContact CE1-O 3.42Å
102S96.3Very high96.4Very high0 Ų025.4 Ų25.40%018%0.181CC..EExtended strand (participates in β ladder)trans-146.5135.9-177.6-60.60000113.2G54 A55 P100 K154G54-S102 WeakPolarHBondContact CA-O 3.2Å; A55-S102 PolarHBondContact N-O 2.99Å; P100-S102 PolarHBondContact O-N 3.41Å; S102-K154 CarbonylContact C-O 3.52Å; S102-K154 WeakPolarHBondContact CA-O 3.36Å; S102-K154 WeakPolarHBondContact OG-CE 3.08Å
103W97.8Very high96.3Very high3 Ų330.9 Ų30.91%0.01120%0.203CC..EExtended strand (participates in β ladder)trans-127120.5176.9168.1-130.3000109.4A55 N57 T86 L89 I93 A143 L145 T153 K154 Q155 V156A55-W103 HydrophobicContact CB-CE3 3.75Å; A55-W103 HydrophobicContact CB-CZ3 4.08Å; A55-W103 WeakPolarHBondContact O-CA 3.38Å; N57-W103 HydrophobicContact CB-CH2 3.66Å; N57-W103 HydrophobicContact CB-CZ3 4.17Å; T86-W103 HydrophobicContact CG2-CZ2 4.13Å; L89-W103 HydrophobicContact CB-CH2 3.48Å; L89-W103 VanDerWaalsContact CB-CH2 3.48Å; L89-W103 HydrophobicContact CB-CZ2 4.2Å; L89-W103 HydrophobicContact CB-CZ3 3.98Å; L89-W103 HydrophobicContact CD1-CH2 3.78Å; L89-W103 HydrophobicContact CD1-CZ3 3.95Å; L89-W103 HydrophobicContact CD2-CZ3 4.43Å; L89-W103 HydrophobicContact CG-CH2 4.17Å; L89-W103 HydrophobicContact CG-CZ3 4.35Å; I93-W103 HydrophobicContact CD1-CB 4.13Å; I93-W103 HydrophobicContact CD1-CD2 3.59Å; I93-W103 HydrophobicContact CD1-CE3 3.49Å; I93-W103 VanDerWaalsContact CD1-CE3 3.49Å; I93-W103 HydrophobicContact CD1-CG 3.88Å; I93-W103 HydrophobicContact CD1-CZ3 4.07Å; W103-A143 HydrophobicContact CZ2-CB 4.26Å; W103-A143 PolarHBondContact NE1-O 2.83Å; W103-L145 HydrophobicContact CB-CD1 4.46Å; W103-T153 HydrophobicContact CB-CG2 3.64Å; W103-K154 PolarHBondContact N-O 3.36Å; W103-Q155 CarbonylContact O-C 3.05Å; W103-Q155 WeakPolarHBondContact O-CA 3.35Å; W103-V156 PolarHBondContact O-N 2.83Å
104V98.6Very high96.2Very high0 Ų032.1 Ų32.10%021%0.211CC..EExtended strand (participates in β ladder)trans-121.6121.5-175.2-172.80000110.7A55 V56 N57 V156 I158 I205 L209A55-V104 PolarHBondContact O-N 3.49Å; V56-V104 CarbonylContact C-O 3.54Å; V56-V104 WeakPolarHBondContact CA-O 3.18Å; V56-V104 HydrophobicContact CB-CB 4.16Å; V56-V104 HydrophobicContact CG2-CB 4.03Å; V56-V104 HydrophobicContact CG2-CG1 4.24Å; V56-V104 WeakPolarHBondContact CG2-O 3.34Å; N57-V104 PolarHBondContact N-O 3.41Å; V104-V156 CarbonylContact C-O 3.59Å; V104-V156 WeakPolarHBondContact CA-O 3.29Å; V104-V156 HydrophobicContact CG1-CB 4.37Å; V104-V156 HydrophobicContact CG2-CB 4.23Å; V104-I158 HydrophobicContact CG1-CD1 3.68Å; V104-I158 HydrophobicContact CG1-CG1 4.27Å; V104-I205 HydrophobicContact CG1-CG2 4.4Å; V104-L209 HydrophobicContact CG2-CD2 3.86Å; V104-L209 HydrophobicContact CG2-CG 4.08Å
105L98.6Very high96.1Very high0 Ų032.1 Ų32.10%021%0.209CC..EExtended strand (participates in β ladder)trans-100.4138.216717465.1000109.8N57 T86 W139 E140 A143 V156 V157 I158N57-L105 HydrophobicContact CB-CD1 4.43Å; T86-L105 HydrophobicContact CG2-CD1 4.16Å; L105-W139 HydrophobicContact CD1-CZ2 4.27Å; L105-W139 VanDerWaalsContact CD1-NE1 3.32Å; L105-W139 HydrophobicContact CD2-CG 4.41Å; L105-E140 HydrophobicContact CD2-CG 4.29Å; L105-A143 HydrophobicContact CB-CB 4.03Å; L105-A143 HydrophobicContact CD2-CB 3.66Å; L105-A143 HydrophobicContact CG-CB 4.34Å; L105-V156 PolarHBondContact N-O 3.41Å; L105-V157 HydrophobicContact CB-CG2 4.47Å; L105-V157 CarbonylContact O-C 3.59Å; L105-V157 WeakPolarHBondContact O-CA 3.42Å; L105-I158 PolarHBondContact O-N 2.67Å
106V98.3Very high96Very high14 Ų1433.3 Ų33.39%0.08520%0.203CC..EExtended strand (participates in β ladder)trans-106.1110.3164.7-177.50000109.3N57 L58 W139 I158 A160 I205N57-V106 PolarHBondContact O-N 2.95Å; L58-V106 HydrophobicContact CD2-CB 3.69Å; L58-V106 HydrophobicContact CD2-CG1 4.47Å; L58-V106 HydrophobicContact CD2-CG2 3.27Å; V106-W139 WeakPolarHBondContact O-CH2 3.39Å; V106-W139 WeakPolarHBondContact O-CZ2 3.23Å; V106-I158 CarbonylContact C-O 3.58Å; V106-I158 WeakPolarHBondContact CA-O 3.28Å; V106-I158 HydrophobicContact CG2-CB 4.34Å; V106-A160 HydrophobicContact CG1-CB 3.92Å; V106-I205 HydrophobicContact CG2-CD1 3.81Å; V106-I205 HydrophobicContact CG2-CG1 3.95Å
107S96.9Very high95.8Very high10 Ų1037.9 Ų37.97%0.0723%0.229CC..  trans-99.1-132176.668.30000110E140 I158 R159S107-E140 PolarHBondContact OG-OE1 2.85Å; S107-I158 PolarHBondContact N-O 3.43Å; S107-R159 VanDerWaalsContact OG-CG 3.31Å; S107-R159 WeakPolarHBondContact OG-CG 3.49Å
108G95.4Very high96Very high14 Ų1433.4 Ų33.414%0.14420%0.2CC..  trans-161.3155.6178.400000113.7A110 A160G108-A110 PolarHBondContact O-N 3.29Å; G108-A160 WeakPolarHBondContact CA-O 3.47Å
109V96.7Very high96.2Very high11 Ų1134.7 Ų34.77%0.06720%0.197CC..G310 helixtrans-66.2-4.3177-64.40000114.4C111 Y112 R159 A160 P194 V228 V277V109-C111 PolarHBondContact O-N 2.83Å; V109-C111 VanDerWaalsContact O-N 3.09Å; V109-Y112 HydrophobicContact CB-CD2 4.11Å; V109-Y112 WeakPolarHBondContact O-CB 3.39Å; V109-Y112 WeakPolarHBondContact O-CD2 3.31Å; V109-Y112 PolarHBondContact O-N 2.96Å; V109-R159 HydrophobicContact CG1-CB 4.43Å; V109-R159 WeakPolarHBondContact CG1-O 3.47Å; V109-A160 PolarHBondContact N-O 3.42Å; V109-P194 HydrophobicContact CG2-CB 4.26Å; V109-P194 HydrophobicContact CG2-CG 3.82Å; V109-V228 HydrophobicContact CG1-CG1 3.84Å; V109-V277 HydrophobicContact CB-CG2 4.05Å; V109-V277 HydrophobicContact CG1-CB 4.43Å; V109-V277 HydrophobicContact CG1-CG1 4.08Å; V109-V277 HydrophobicContact CG1-CG2 4.01Å
110A95.4Very high96.4Very high25 Ų2534.3 Ų34.321%0.20719%0.191CC..G310 helixtrans-64-9.5177.200000113.8G108 Y112 L132 S133 V136G108-A110 PolarHBondContact O-N 3.29Å; A110-Y112 PolarHBondContact O-N 3.33Å; A110-L132 HydrophobicContact CB-CB 3.98Å; A110-S133 WeakPolarHBondContact O-CB 3.45Å; A110-V136 HydrophobicContact CB-CG2 4.3Å
111C96.3Very high96.4Very high0 Ų035.8 Ų35.80%020%0.2CC..G310 helixtrans-64.3-29167.258.60000113.2V109 W126 V136V109-C111 PolarHBondContact O-N 2.83Å; V109-C111 VanDerWaalsContact O-N 3.09Å; C111-W126 HydrophobicContact CB-CD2 3.59Å; C111-W126 HydrophobicContact CB-CE3 3.63Å; C111-W126 HydrophobicContact CB-CG 4.27Å; C111-W126 HydrophobicContact CB-CH2 3.6Å; C111-W126 HydrophobicContact CB-CZ2 3.59Å; C111-W126 HydrophobicContact CB-CZ3 3.63Å; C111-V136 HydrophobicContact CB-CB 4.19Å; C111-V136 HydrophobicContact CB-CG1 3.73Å
112Y97.2Very high96.6Very high0 Ų034 Ų340%019%0.191CC..SBendtrans-83.6136.2-179.3-56-58.6000110.4V109 A110 Y120 T121 R159 N226 Q275 V277V109-Y112 HydrophobicContact CB-CD2 4.11Å; V109-Y112 WeakPolarHBondContact O-CB 3.39Å; V109-Y112 WeakPolarHBondContact O-CD2 3.31Å; V109-Y112 PolarHBondContact O-N 2.96Å; A110-Y112 PolarHBondContact O-N 3.33Å; Y112-Y120 AromaticContact CD1-CD1 3.65Å; Y112-Y120 HydrophobicContact CD1-CD1 3.65Å; Y112-Y120 HydrophobicContact CD1-CE1 4.49Å; Y112-Y120 AromaticContact CD1-CG 3.8Å; Y112-Y120 HydrophobicContact CD1-CG 3.8Å; Y112-Y120 HydrophobicContact CE1-CD1 4.45Å; Y112-Y120 HydrophobicContact CG-CD1 4.05Å; Y112-Y120 HydrophobicContact CG-CD2 4.34Å; Y112-Y120 AromaticContact CG-CG 3.78Å; Y112-Y120 HydrophobicContact CG-CG 3.78Å; Y112-T121 PolarHBondContact OH-O 3.22Å; Y112-R159 PolarHBondContact OH-NH1 3.17Å; Y112-N226 WeakPolarHBondContact CE2-OD1 3.42Å; Y112-N226 PolarHBondContact OH-ND2 2.9Å; Y112-N226 PolarHBondContact OH-OD1 3.42Å; Y112-N226 VanDerWaalsContact OH-OD1 3.05Å; Y112-Q275 VanDerWaalsContact O-CG 3.22Å; Y112-Q275 WeakPolarHBondContact O-CG 3.42Å; Y112-Q275 PolarHBondContact O-NE2 3.49Å; Y112-V277 HydrophobicContact CD2-CG1 4.39Å; Y112-V277 HydrophobicContact CD2-CG2 3.89Å; Y112-V277 HydrophobicContact CE2-CG1 4.07Å; Y112-V277 HydrophobicContact CE2-CG2 4.39Å
113K95.8Very high96.6Very high127 Ų12738.9 Ų38.955%0.55222%0.218SC*.PPolyproline II helixtrans-69.5131.1-179-167.6172.2-177.7175.70110.3S115 Y120 F129K113-S115 PolarHBondContact O-N 3.21Å; K113-Y120 WeakPolarHBondContact O-CE2 3.27Å; K113-Y120 VanDerWaalsContact O-CZ 3.25Å; K113-Y120 PolarHBondContact O-OH 3.01Å; K113-F129 VanDerWaalsContact CA-CE1 3.42Å; K113-F129 HydrophobicContact CB-CD1 3.99Å; K113-F129 HydrophobicContact CB-CE1 3.83Å; K113-F129 HydrophobicContact CB-CZ 4.3Å; K113-F129 HydrophobicContact CG-CD1 4.13Å; K113-F129 HydrophobicContact CG-CD2 4.39Å; K113-F129 HydrophobicContact CG-CE1 4.23Å; K113-F129 HydrophobicContact CG-CE2 4.48Å; K113-F129 HydrophobicContact CG-CG 4.24Å; K113-F129 HydrophobicContact CG-CZ 4.43Å
114P95.2Very high96.6Very high27 Ų2740.1 Ų40.118%0.17523%0.227CC..PPolyproline II helixtrans-57135.2174.3-23.932.2000112.4Q273 G274P114-Q273 HydrophobicContact CB-CB 3.65Å; P114-Q273 HydrophobicContact CG-CB 4.09Å; P114-G274 VanDerWaalsContact CA-O 3.31Å; P114-G274 WeakPolarHBondContact CA-O 3.38Å
115S94.7Very high96.4Very high31 Ų3149.2 Ų49.222%0.21727%0.269CS..  trans-160.4143.2-179.7-177.10000110.3K113 T117 A118 G274K113-S115 PolarHBondContact O-N 3.21Å; S115-T117 VanDerWaalsContact C-N 3.34Å; S115-T117 PolarHBondContact OG-N 3.29Å; S115-T117 PolarHBondContact OG-OG1 3.38Å; S115-A118 WeakPolarHBondContact OG-CB 3.17Å; S115-A118 PolarHBondContact OG-N 3.3Å; S115-G274 PolarHBondContact N-O 2.99Å; S115-G274 VanDerWaalsContact N-O 3.07Å
116L93.4Very high96.3Very high115 Ų11552.1 Ų52.160%0.60228%0.28SS*.SBendtrans-80.3-17.9173.6-62.5-179.1000112.6
117T93Very high96.2Very high123 Ų12356.7 Ų56.776%0.75531%0.308SS*.SBendtrans-121.7-28.8-171.455.70000113.8S115S115-T117 VanDerWaalsContact C-N 3.34Å; S115-T117 PolarHBondContact OG-N 3.29Å; S115-T117 PolarHBondContact OG-OG1 3.38Å
118A96.5Very high96.2Very high31 Ų3158 Ų5826%0.25632%0.316SS..  trans-74.2145-178.400000111S115 Y120 K276S115-A118 WeakPolarHBondContact OG-CB 3.17Å; S115-A118 PolarHBondContact OG-N 3.3Å; A118-Y120 HydrophobicContact CB-CE2 3.93Å; A118-K276 WeakPolarHBondContact O-CB 3.5Å
119E97.4Very high96.1Very high106 Ų10660.9 Ų60.950%0.49533%0.325SS..EExtended strand (participates in β ladder)trans-114.9138.3175.3-68.1-178-174.900109.2K276 I278E119-K276 WeakPolarHBondContact CA-O 3.31Å; E119-K276 HydrophobicContact CG-CD 3.68Å; E119-K276 HydrophobicContact CG-CG 4.04Å; E119-K276 WeakPolarHBondContact OE1-CE 3.49Å; E119-K276 IonicContact OE1-NZ 3.15Å; E119-K276 PolarHBondContact OE1-NZ 2.79Å; E119-I278 HydrophobicContact CB-CD1 4.1Å; E119-I278 HydrophobicContact CG-CD1 4.43Å; E119-I278 WeakPolarHBondContact OE2-CD1 3.33Å
120Y98.3Very high95.9Very high33 Ų3363.2 Ų63.213%0.12934%0.338CS..EExtended strand (participates in β ladder)trans-122.2129.7-176.6-60.3-77.4000110.9Y112 K113 A118 S124 Q275 K276 V277 I278Y112-Y120 AromaticContact CD1-CD1 3.65Å; Y112-Y120 HydrophobicContact CD1-CD1 3.65Å; Y112-Y120 HydrophobicContact CD1-CE1 4.49Å; Y112-Y120 AromaticContact CD1-CG 3.8Å; Y112-Y120 HydrophobicContact CD1-CG 3.8Å; Y112-Y120 HydrophobicContact CE1-CD1 4.45Å; Y112-Y120 HydrophobicContact CG-CD1 4.05Å; Y112-Y120 HydrophobicContact CG-CD2 4.34Å; Y112-Y120 AromaticContact CG-CG 3.78Å; Y112-Y120 HydrophobicContact CG-CG 3.78Å; K113-Y120 WeakPolarHBondContact O-CE2 3.27Å; K113-Y120 VanDerWaalsContact O-CZ 3.25Å; K113-Y120 PolarHBondContact O-OH 3.01Å; A118-Y120 HydrophobicContact CB-CE2 3.93Å; Y120-S124 WeakPolarHBondContact CA-OG 3.36Å; Y120-Q275 HydrophobicContact CD2-CB 4.09Å; Y120-Q275 HydrophobicContact CE2-CB 4.34Å; Y120-K276 PolarHBondContact N-O 3.09Å; Y120-V277 CarbonylContact O-C 3.52Å; Y120-V277 WeakPolarHBondContact O-CA 3.03Å; Y120-I278 PolarHBondContact O-N 2.86Å
121T98.3Very high95.8Very high34 Ų3464.4 Ų64.421%0.20934%0.34CS..  trans-111.5178.516965.90000109.5Y112 D123 S124 I278 L280Y112-T121 PolarHBondContact OH-O 3.22Å; T121-D123 PolarHBondContact O-N 3.28Å; T121-D123 PolarHBondContact OG1-N 3.37Å; T121-S124 PolarHBondContact N-OG 3.42Å; T121-S124 WeakPolarHBondContact O-CB 3.46Å; T121-S124 PolarHBondContact O-N 2.85Å; T121-S124 PolarHBondContact O-OG 3.37Å; T121-I278 HydrophobicContact CG2-CB 4.26Å; T121-L280 HydrophobicContact CG2-CB 4.26Å; T121-L280 HydrophobicContact CG2-CD2 4.19Å
122E97.9Very high95.6Very high9 Ų965.6 Ų65.64%0.04235%0.346CS..THydrogen-bonded Turntrans-61.7-25.4176-65.993.2157.200113.4V224 N226 L280 K281 T282E122-V224 HydrophobicContact CB-CB 4.39Å; E122-V224 HydrophobicContact CB-CG1 4.2Å; E122-V224 HydrophobicContact CG-CG1 4.26Å; E122-V224 WeakPolarHBondContact CG-O 3.35Å; E122-N226 HydrophobicContact CG-CB 4.09Å; E122-N226 VanDerWaalsContact CG-N 3.33Å; E122-N226 PolarHBondContact N-ND2 3.5Å; E122-N226 PolarHBondContact OE1-N 2.86Å; E122-L280 PolarHBondContact OE1-N 3.28Å; E122-L280 PolarHBondContact OE2-N 2.91Å; E122-L280 VanDerWaalsContact OE2-N 3.13Å; E122-K281 HydrophobicContact CB-CB 4.32Å; E122-K281 HydrophobicContact CB-CD 3.81Å; E122-K281 HydrophobicContact CB-CG 4.05Å; E122-K281 VanDerWaalsContact CD-N 3.34Å; E122-K281 HydrophobicContact CG-CB 4.08Å; E122-K281 HydrophobicContact CG-CD 4.44Å; E122-K281 HydrophobicContact CG-CG 4.35Å; E122-K281 PolarHBondContact OE1-N 3.22Å; E122-K281 PolarHBondContact OE2-N 3.3Å; E122-T282 PolarHBondContact OE1-N 3.04Å; E122-T282 PolarHBondContact OE1-OG1 2.92Å; E122-T282 VanDerWaalsContact OE1-OG1 3.08Å
123D96.9Very high95.6Very high104 Ų10465.6 Ų65.656%0.55635%0.346SS*.THydrogen-bonded Turntrans-90.6-5.5178.4-70.6-44.2000114T121 E125 K281T121-D123 PolarHBondContact O-N 3.28Å; T121-D123 PolarHBondContact OG1-N 3.37Å; D123-E125 PolarHBondContact O-N 3.14Å; D123-K281 WeakPolarHBondContact OD1-CE 3.44Å; D123-K281 IonicContact OD1-NZ 2.83Å; D123-K281 PolarHBondContact OD1-NZ 3.25Å; D123-K281 WeakPolarHBondContact OD2-CE 3.46Å; D123-K281 IonicContact OD2-NZ 3.24Å; D123-K281 PolarHBondContact OD2-NZ 3.26Å
124S97.4Very high95.6Very high29 Ų2962.7 Ų62.720%0.20334%0.335CS..  trans-63.3122.2176.8-61.70000110.6Y120 T121Y120-S124 WeakPolarHBondContact CA-OG 3.36Å; T121-S124 PolarHBondContact N-OG 3.42Å; T121-S124 WeakPolarHBondContact O-CB 3.46Å; T121-S124 PolarHBondContact O-N 2.85Å; T121-S124 PolarHBondContact O-OG 3.37Å
125E95.4Very high95.6Very high191 Ų19161.8 Ų61.889%0.89333%0.328SS*.  trans-64.3145.5172-63.9-169.2156.500110.7D123D123-E125 PolarHBondContact O-N 3.14Å
126W96.4Very high95.7Very high60 Ų6060.6 Ų60.623%0.22732%0.32CS..  trans-151.3152179.563.2-85000111C111 P128 S133 V136 K137C111-W126 HydrophobicContact CB-CD2 3.59Å; C111-W126 HydrophobicContact CB-CE3 3.63Å; C111-W126 HydrophobicContact CB-CG 4.27Å; C111-W126 HydrophobicContact CB-CH2 3.6Å; C111-W126 HydrophobicContact CB-CZ2 3.59Å; C111-W126 HydrophobicContact CB-CZ3 3.63Å; W126-P128 HydrophobicContact CZ3-CG 4.24Å; W126-S133 WeakPolarHBondContact CZ3-O 3.37Å; W126-V136 HydrophobicContact CH2-CB 4.4Å; W126-V136 HydrophobicContact CH2-CG1 4.11Å; W126-V136 HydrophobicContact CZ2-CG1 4.39Å; W126-K137 HydrophobicContact CH2-CB 3.65Å; W126-K137 HydrophobicContact CH2-CG 4.38Å; W126-K137 HydrophobicContact CZ3-CB 3.96Å
127T95.8Very high95.9Very high110 Ų11060.3 Ų60.368%0.67531%0.314SS*.  trans-127.1143.417351.50000108.6F129T127-F129 WeakPolarHBondContact O-CD1 3.34Å; T127-F129 PolarHBondContact O-N 3.02Å
128P96.1Very high96.2Very high37 Ų3758 Ų5824%0.2429%0.294CS..  trans-55.6132.9174.4-25.233.2000111.4W126 S133 Q134 K137W126-P128 HydrophobicContact CZ3-CG 4.24Å; P128-S133 WeakPolarHBondContact CA-OG 3.47Å; P128-Q134 HydrophobicContact CB-CB 4.22Å; P128-Q134 VanDerWaalsContact CB-OE1 3.27Å; P128-K137 HydrophobicContact CG-CB 3.95Å; P128-K137 HydrophobicContact CG-CD 3.29Å; P128-K137 HydrophobicContact CG-CG 4.25Å
129F94.1Very high96.2Very high75 Ų7557.4 Ų57.433%0.32929%0.285SS..  trans-127.1-10.6-179.357.9-93.8000112.5K113 T127 S133K113-F129 VanDerWaalsContact CA-CE1 3.42Å; K113-F129 HydrophobicContact CB-CD1 3.99Å; K113-F129 HydrophobicContact CB-CE1 3.83Å; K113-F129 HydrophobicContact CB-CZ 4.3Å; K113-F129 HydrophobicContact CG-CD1 4.13Å; K113-F129 HydrophobicContact CG-CD2 4.39Å; K113-F129 HydrophobicContact CG-CE1 4.23Å; K113-F129 HydrophobicContact CG-CE2 4.48Å; K113-F129 HydrophobicContact CG-CG 4.24Å; K113-F129 HydrophobicContact CG-CZ 4.43Å; T127-F129 WeakPolarHBondContact O-CD1 3.34Å; T127-F129 PolarHBondContact O-N 3.02Å; F129-S133 PolarHBondContact N-OG 2.96Å
130D93.5Very high96.2Very high61 Ų6153 Ų5333%0.32627%0.265SS..SBendtrans-153-177179.371.42.4000111.1L132 S133 Q134D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 3.36Å; D130-L132 PolarHBondContact OD1-N 2.85Å; D130-L132 VanDerWaalsContact OD1-N 3.09Å; D130-S133 PolarHBondContact N-OG 3.09Å; D130-S133 PolarHBondContact O-OG 3.42Å; D130-S133 VanDerWaalsContact O-OG 3.07Å; D130-S133 VanDerWaalsContact OD1-CB 3.3Å; D130-S133 WeakPolarHBondContact OD1-CB 3.12Å; D130-S133 PolarHBondContact OD1-N 3.47Å; D130-S133 PolarHBondContact OD1-OG 2.86Å; D130-Q134 VanDerWaalsContact O-CB 3.29Å; D130-Q134 WeakPolarHBondContact O-CB 3.38Å; D130-Q134 PolarHBondContact O-N 3.47Å
131L92.7Very high96.2Very high50 Ų5054 Ų5426%0.26228%0.28SS..Hα-helixtrans-60.1-38.2179.7-175.373.7000113.1W70 K75 F79 L135W70-L131 HydrophobicContact CZ2-CD2 3.9Å; K75-L131 HydrophobicContact CB-CD2 4.31Å; K75-L131 HydrophobicContact CD-CD2 3.73Å; K75-L131 HydrophobicContact CG-CD2 3.78Å; F79-L131 HydrophobicContact CE2-CD1 3.69Å; F79-L131 HydrophobicContact CE2-CG 4Å; F79-L131 HydrophobicContact CZ-CD1 3.93Å; F79-L131 HydrophobicContact CZ-CG 4.42Å; L131-L135 WeakPolarHBondContact O-CB 3.45Å; L131-L135 PolarHBondContact O-N 3.4Å
132L92.8Very high96.2Very high24 Ų2453.2 Ų53.213%0.12628%0.277CS..Hα-helixtrans-81-39.7-173.1-68.4-176.9000112.4V63 A110 D130 Q134 L135 V136 I270V63-L132 HydrophobicContact CG1-CD2 4.27Å; A110-L132 HydrophobicContact CB-CB 3.98Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 3.36Å; D130-L132 PolarHBondContact OD1-N 2.85Å; D130-L132 VanDerWaalsContact OD1-N 3.09Å; L132-Q134 VanDerWaalsContact C-N 3.28Å; L132-L135 HydrophobicContact CD2-CD2 4.39Å; L132-L135 WeakPolarHBondContact O-CB 3.33Å; L132-L135 PolarHBondContact O-N 2.9Å; L132-V136 WeakPolarHBondContact O-CG2 3.42Å; L132-V136 PolarHBondContact O-N 2.92Å; L132-I270 HydrophobicContact CD1-CD1 3.5Å; L132-I270 VanDerWaalsContact CD1-CD1 3.5Å; L132-I270 HydrophobicContact CD1-CG1 3.58Å
133S95.4Very high96.1Very high0 Ų052.9 Ų52.90%028%0.276CS..Hα-helixtrans-63.5-36.7170.555.60000110.9A110 W126 P128 F129 D130 V136 K137A110-S133 WeakPolarHBondContact O-CB 3.45Å; W126-S133 WeakPolarHBondContact CZ3-O 3.37Å; P128-S133 WeakPolarHBondContact CA-OG 3.47Å; F129-S133 PolarHBondContact N-OG 2.96Å; D130-S133 PolarHBondContact N-OG 3.09Å; D130-S133 PolarHBondContact O-OG 3.42Å; D130-S133 VanDerWaalsContact O-OG 3.07Å; D130-S133 VanDerWaalsContact OD1-CB 3.3Å; D130-S133 WeakPolarHBondContact OD1-CB 3.12Å; D130-S133 PolarHBondContact OD1-N 3.47Å; D130-S133 PolarHBondContact OD1-OG 2.86Å; S133-V136 PolarHBondContact O-N 2.89Å; S133-K137 PolarHBondContact O-N 3.26Å
134Q96.6Very high96.1Very high67 Ų6753 Ų5331%0.31327%0.272SS..Hα-helixtrans-63.5-45.4170.8-175.76425.900111.7F79 P128 D130 L132 V136 K137 E138F79-Q134 HydrophobicContact CE1-CG 4.47Å; F79-Q134 HydrophobicContact CZ-CG 4.48Å; P128-Q134 HydrophobicContact CB-CB 4.22Å; P128-Q134 VanDerWaalsContact CB-OE1 3.27Å; D130-Q134 VanDerWaalsContact O-CB 3.29Å; D130-Q134 WeakPolarHBondContact O-CB 3.38Å; D130-Q134 PolarHBondContact O-N 3.47Å; L132-Q134 VanDerWaalsContact C-N 3.28Å; Q134-V136 PolarHBondContact O-N 2.6Å; Q134-K137 PolarHBondContact O-N 3.32Å; Q134-E138 PolarHBondContact NE2-OE1 2.94Å; Q134-E138 PolarHBondContact O-N 3.26Å
135L95.9Very high96Very high7 Ų752.3 Ų52.34%0.03727%0.265CS..Hα-helixtrans-56.3-48.5174.1172.160.8000111.2F79 R82 I83 L131 L132 K137 E138 W139F79-L135 HydrophobicContact CB-CD1 4.4Å; F79-L135 HydrophobicContact CD1-CD1 4.07Å; F79-L135 HydrophobicContact CD2-CB 4.4Å; F79-L135 HydrophobicContact CD2-CD1 3.91Å; F79-L135 HydrophobicContact CE1-CB 4.21Å; F79-L135 HydrophobicContact CE1-CD1 4.3Å; F79-L135 HydrophobicContact CE2-CB 3.78Å; F79-L135 HydrophobicContact CE2-CD1 4.15Å; F79-L135 HydrophobicContact CE2-CG 4.4Å; F79-L135 HydrophobicContact CG-CD1 3.87Å; F79-L135 HydrophobicContact CZ-CB 3.67Å; F79-L135 HydrophobicContact CZ-CD1 4.34Å; R82-L135 HydrophobicContact CB-CD1 4.44Å; I83-L135 HydrophobicContact CD1-CD1 4.4Å; L131-L135 WeakPolarHBondContact O-CB 3.45Å; L131-L135 PolarHBondContact O-N 3.4Å; L132-L135 HydrophobicContact CD2-CD2 4.39Å; L132-L135 WeakPolarHBondContact O-CB 3.33Å; L132-L135 PolarHBondContact O-N 2.9Å; L135-K137 VanDerWaalsContact C-N 3.29Å; L135-K137 PolarHBondContact O-N 2.77Å; L135-E138 PolarHBondContact O-N 3.37Å; L135-W139 WeakPolarHBondContact O-CB 3.47Å; L135-W139 PolarHBondContact O-N 3.02Å
136V97.1Very high95.9Very high6 Ų646.3 Ų46.34%0.03624%0.243CC..Hα-helixtrans-61-40.3179.3175.60000111A110 C111 W126 L132 S133 Q134 W139 E140A110-V136 HydrophobicContact CB-CG2 4.3Å; C111-V136 HydrophobicContact CB-CB 4.19Å; C111-V136 HydrophobicContact CB-CG1 3.73Å; W126-V136 HydrophobicContact CH2-CB 4.4Å; W126-V136 HydrophobicContact CH2-CG1 4.11Å; W126-V136 HydrophobicContact CZ2-CG1 4.39Å; L132-V136 WeakPolarHBondContact O-CG2 3.42Å; L132-V136 PolarHBondContact O-N 2.92Å; S133-V136 PolarHBondContact O-N 2.89Å; Q134-V136 PolarHBondContact O-N 2.6Å; V136-W139 PolarHBondContact O-N 3.26Å; V136-E140 HydrophobicContact CG1-CG 4.14Å; V136-E140 WeakPolarHBondContact CG1-OE1 3.42Å; V136-E140 WeakPolarHBondContact O-CB 3.34Å; V136-E140 WeakPolarHBondContact O-CG 3.19Å; V136-E140 PolarHBondContact O-N 3.18Å
137K97.6Very high95.5Very high110 Ų11049.4 Ų49.448%0.47826%0.26SS..Hα-helixtrans-61.9-50.6178.3-177.6176.4177.1178.90112.1W126 P128 S133 Q134 L135 W139 A141W126-K137 HydrophobicContact CH2-CB 3.65Å; W126-K137 HydrophobicContact CH2-CG 4.38Å; W126-K137 HydrophobicContact CZ3-CB 3.96Å; P128-K137 HydrophobicContact CG-CB 3.95Å; P128-K137 HydrophobicContact CG-CD 3.29Å; P128-K137 HydrophobicContact CG-CG 4.25Å; S133-K137 PolarHBondContact O-N 3.26Å; Q134-K137 PolarHBondContact O-N 3.32Å; L135-K137 VanDerWaalsContact C-N 3.29Å; L135-K137 PolarHBondContact O-N 2.77Å; K137-W139 VanDerWaalsContact C-N 3.29Å; K137-W139 PolarHBondContact O-N 3.05Å; K137-A141 WeakPolarHBondContact O-CB 3.29Å; K137-A141 PolarHBondContact O-N 2.86Å
138E97.9Very high95.1Very high73 Ų7349.4 Ų49.434%0.34126%0.256SS..Hα-helixtrans-66.7-35.4179.4-69179.5-152.400111.7I83 Q134 L135 A142I83-E138 HydrophobicContact CD1-CB 3.61Å; I83-E138 WeakPolarHBondContact CD1-OE2 3.37Å; I83-E138 HydrophobicContact CG1-CB 4.28Å; Q134-E138 PolarHBondContact NE2-OE1 2.94Å; Q134-E138 PolarHBondContact O-N 3.26Å; L135-E138 PolarHBondContact O-N 3.37Å; E138-A142 WeakPolarHBondContact O-CB 3.24Å; E138-A142 PolarHBondContact O-N 3.02Å
139W97.3Very high94.8Very high19 Ų1947.9 Ų47.97%0.07225%0.247CC..Hα-helixtrans-68.5-45.9179-166.96.3000112.3R82 T86 L105 V106 L135 V136 K137 A142 A143R82-W139 HydrophobicContact CB-CD2 3.72Å; R82-W139 HydrophobicContact CB-CE3 4.25Å; R82-W139 HydrophobicContact CB-CG 4.04Å; R82-W139 HydrophobicContact CB-CH2 4.44Å; R82-W139 HydrophobicContact CB-CZ2 3.93Å; R82-W139 VanDerWaalsContact CD-CE3 3.44Å; R82-W139 HydrophobicContact CG-CD2 3.97Å; R82-W139 HydrophobicContact CG-CE3 4.08Å; R82-W139 HydrophobicContact CG-CH2 3.68Å; R82-W139 HydrophobicContact CG-CZ2 3.53Å; R82-W139 HydrophobicContact CG-CZ3 3.95Å; R82-W139 PolarHBondContact O-NE1 3.01Å; T86-W139 VanDerWaalsContact OG1-CD1 3.27Å; T86-W139 PolarHBondContact OG1-NE1 3.09Å; L105-W139 HydrophobicContact CD1-CZ2 4.27Å; L105-W139 VanDerWaalsContact CD1-NE1 3.32Å; L105-W139 HydrophobicContact CD2-CG 4.41Å; V106-W139 WeakPolarHBondContact O-CH2 3.39Å; V106-W139 WeakPolarHBondContact O-CZ2 3.23Å; L135-W139 WeakPolarHBondContact O-CB 3.47Å; L135-W139 PolarHBondContact O-N 3.02Å; V136-W139 PolarHBondContact O-N 3.26Å; K137-W139 VanDerWaalsContact C-N 3.29Å; K137-W139 PolarHBondContact O-N 3.05Å; W139-A142 PolarHBondContact O-N 2.55Å; W139-A143 PolarHBondContact O-N 2.76Å
140E97.8Very high94.6Very high13 Ų1344.4 Ų44.46%0.06123%0.231CC..Hα-helixtrans-63.5-42.4174.8-70.7-174.9-175.400110.9L105 S107 V136 A142 A143 F144 V157 R159L105-E140 HydrophobicContact CD2-CG 4.29Å; S107-E140 PolarHBondContact OG-OE1 2.85Å; V136-E140 HydrophobicContact CG1-CG 4.14Å; V136-E140 WeakPolarHBondContact CG1-OE1 3.42Å; V136-E140 WeakPolarHBondContact O-CB 3.34Å; V136-E140 WeakPolarHBondContact O-CG 3.19Å; V136-E140 PolarHBondContact O-N 3.18Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 2.75Å; E140-A143 PolarHBondContact O-N 3.15Å; E140-A143 VanDerWaalsContact O-N 3.12Å; E140-F144 WeakPolarHBondContact O-CD1 3.5Å; E140-F144 WeakPolarHBondContact O-CE1 3.3Å; E140-V157 HydrophobicContact CG-CG1 3.83Å; E140-V157 WeakPolarHBondContact OE1-CG1 3.09Å; E140-R159 WeakPolarHBondContact OE1-CG 3.47Å; E140-R159 IonicContact OE1-CZ 3.8Å; E140-R159 IonicContact OE1-NE 2.6Å; E140-R159 PolarHBondContact OE1-NE 3.38Å; E140-R159 IonicContact OE1-NH2 3.32Å; E140-R159 IonicContact OE2-CZ 2.67Å; E140-R159 IonicContact OE2-NE 3.69Å; E140-R159 IonicContact OE2-NH2 2.75Å; E140-R159 PolarHBondContact OE2-NH2 3.12Å
141A97.3Very high94.4Very high54 Ų5446.7 Ų46.745%0.44624%0.238SC..Hα-helixtrans-61.1-38.6176.700000112.8K137 A143 F144K137-A141 WeakPolarHBondContact O-CB 3.29Å; K137-A141 PolarHBondContact O-N 2.86Å; A141-A143 PolarHBondContact O-N 2.82Å; A141-F144 PolarHBondContact O-N 3.03Å
142A97.8Very high94.3Very high18 Ų1848.1 Ų48.115%0.14925%0.249CC..Hα-helixtrans-65.6-21177.800000113.6I83 T86 K87 S90 E138 W139 E140I83-A142 HydrophobicContact CG2-CB 4.12Å; T86-A142 HydrophobicContact CG2-CB 4.14Å; K87-A142 HydrophobicContact CB-CB 4.45Å; S90-A142 WeakPolarHBondContact CB-O 2.79Å; S90-A142 PolarHBondContact OG-O 3.2Å; E138-A142 WeakPolarHBondContact O-CB 3.24Å; E138-A142 PolarHBondContact O-N 3.02Å; W139-A142 PolarHBondContact O-N 2.55Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 2.75Å
143A97.4Very high94.3Very high2 Ų247 Ų472%0.01724%0.243CC..THydrogen-bonded Turntrans-84.4-13.3177.700000113.8T86 W103 L105 W139 E140 A141 L145T86-A143 HydrophobicContact CG2-CB 3.55Å; W103-A143 HydrophobicContact CZ2-CB 4.26Å; W103-A143 PolarHBondContact NE1-O 2.83Å; L105-A143 HydrophobicContact CB-CB 4.03Å; L105-A143 HydrophobicContact CD2-CB 3.66Å; L105-A143 HydrophobicContact CG-CB 4.34Å; W139-A143 PolarHBondContact O-N 2.76Å; E140-A143 PolarHBondContact O-N 3.15Å; E140-A143 VanDerWaalsContact O-N 3.12Å; A141-A143 PolarHBondContact O-N 2.82Å; A143-L145 PolarHBondContact O-N 2.82Å
144F95.8Very high94.3Very high108 Ų10848.1 Ų48.147%0.47425%0.248SC..PPolyproline II helixtrans-69.3124-174.5-67.6-3.2000111E140 A141 P222E140-F144 WeakPolarHBondContact O-CD1 3.5Å; E140-F144 WeakPolarHBondContact O-CE1 3.3Å; A141-F144 PolarHBondContact O-N 3.03Å; F144-P222 HydrophobicContact CD1-CG 3.68Å; F144-P222 HydrophobicContact CE1-CG 3.57Å; F144-P222 HydrophobicContact CZ-CG 4.37Å
145L95.8Very high94.3Very high14 Ų1445.2 Ų45.27%0.07324%0.235CC..PPolyproline II helixtrans-80.3145.6174-61.2177.6000110.1S90 I93 W103 A143 A149 A150 T153 Q155S90-L145 VanDerWaalsContact O-CD2 3.32Å; S90-L145 WeakPolarHBondContact O-CD2 3.43Å; I93-L145 HydrophobicContact CB-CD2 4.03Å; I93-L145 HydrophobicContact CG2-CD1 3.76Å; I93-L145 HydrophobicContact CG2-CD2 3.75Å; I93-L145 HydrophobicContact CG2-CG 4.45Å; W103-L145 HydrophobicContact CB-CD1 4.46Å; A143-L145 PolarHBondContact O-N 2.82Å; L145-A149 HydrophobicContact CB-CB 4.13Å; L145-A149 HydrophobicContact CD1-CB 4.48Å; L145-A150 HydrophobicContact CB-CB 4.47Å; L145-T153 HydrophobicContact CD1-CG2 3.61Å; L145-Q155 HydrophobicContact CD1-CG 3.85Å; L145-Q155 HydrophobicContact CG-CG 4.2Å
146P93Very high94.4Very high65 Ų6545 Ų4542%0.42223%0.234SC..PPolyproline II helixtrans-62.5156.2169.928.7-34.9000110.9A94 N148 A149 A150A94-P146 HydrophobicContact CB-CG 3.74Å; P146-N148 WeakPolarHBondContact CB-OD1 3.15Å; P146-N148 WeakPolarHBondContact CG-OD1 3.44Å; P146-N148 PolarHBondContact O-N 3.1Å; P146-N148 VanDerWaalsContact O-N 3.09Å; P146-A149 HydrophobicContact CG-CB 4.21Å; P146-A149 PolarHBondContact O-N 2.99Å; P146-A150 PolarHBondContact O-N 3.42Å
147E88.9Confident94.5Very high124 Ų12444.8 Ų44.858%0.57923%0.233SC*.Hα-helixtrans-54.9-36.1-169.3-161.4-162.1137.400113.7A150 K151E147-A150 PolarHBondContact O-N 2.83Å; E147-K151 VanDerWaalsContact O-CG 3.31Å; E147-K151 WeakPolarHBondContact O-CG 3.41Å; E147-K151 PolarHBondContact O-N 3.48Å; E147-K151 WeakPolarHBondContact OE1-CE 3.17Å; E147-K151 IonicContact OE1-NZ 4Å; E147-K151 PolarHBondContact OE1-NZ 3.44Å
148N87.1Confident94.5Very high110 Ų11039.6 Ų39.659%0.58821%0.21SC*.Hα-helixtrans-64-41.5177.362.4-38.1000112.7P146P146-N148 WeakPolarHBondContact CB-OD1 3.15Å; P146-N148 WeakPolarHBondContact CG-OD1 3.44Å; P146-N148 PolarHBondContact O-N 3.1Å; P146-N148 VanDerWaalsContact O-N 3.09Å
149A89.9Confident94.6Very high6 Ų636.8 Ų36.85%0.0520%0.196CC..Hα-helixtrans-78.3-33.4177.400000111.8A94 L145 P146 K151 T152 T153A94-A149 HydrophobicContact CB-CB 4.12Å; L145-A149 HydrophobicContact CB-CB 4.13Å; L145-A149 HydrophobicContact CD1-CB 4.48Å; P146-A149 HydrophobicContact CG-CB 4.21Å; P146-A149 PolarHBondContact O-N 2.99Å; A149-K151 PolarHBondContact O-N 3.29Å; A149-T152 PolarHBondContact O-N 3.26Å; A149-T152 PolarHBondContact O-OG1 3.32Å; A149-T153 WeakPolarHBondContact O-CB 3.43Å; A149-T153 PolarHBondContact O-N 3Å; A149-T153 PolarHBondContact O-OG1 3.32Å
150A89.4Confident94.6Very high1 Ų136.4 Ų36.41%0.00820%0.197CC..Hα-helixtrans-64.1-25.817700000113L145 P146 E147 T152 Q155L145-A150 HydrophobicContact CB-CB 4.47Å; P146-A150 PolarHBondContact O-N 3.42Å; E147-A150 PolarHBondContact O-N 2.83Å; A150-T152 PolarHBondContact O-N 3.06Å; A150-Q155 VanDerWaalsContact CB-NE2 3.35Å
151K88.1Confident94.5Very high109 Ų10936.3 Ų36.347%0.47420%0.2SC..THydrogen-bonded Turntrans-69.9-13.3175.3-76.4169.3-173170.90114.7E147 A149 P218E147-K151 VanDerWaalsContact O-CG 3.31Å; E147-K151 WeakPolarHBondContact O-CG 3.41Å; E147-K151 PolarHBondContact O-N 3.48Å; E147-K151 WeakPolarHBondContact OE1-CE 3.17Å; E147-K151 IonicContact OE1-NZ 4Å; E147-K151 PolarHBondContact OE1-NZ 3.44Å; A149-K151 PolarHBondContact O-N 3.29Å; K151-P218 VanDerWaalsContact O-CD 3.29Å; K151-P218 WeakPolarHBondContact O-CD 3.42Å
152T90.8Very high94.4Very high80 Ų8035.1 Ų35.149%0.49119%0.19SC..THydrogen-bonded Turntrans-124.3-21.5-17957.50000112.5A149 A150A149-T152 PolarHBondContact O-N 3.26Å; A149-T152 PolarHBondContact O-OG1 3.32Å; A150-T152 PolarHBondContact O-N 3.06Å
153T94.4Very high94.3Very high0 Ų035.3 Ų35.30%019%0.189CC..SBendtrans-111.3113.2-178.5-52.30000110.2I93 P100 W103 L145 A149 Q155I93-T153 HydrophobicContact CG2-CG2 4.2Å; P100-T153 HydrophobicContact CG-CG2 4.46Å; P100-T153 WeakPolarHBondContact O-CG2 3.24Å; P100-T153 PolarHBondContact O-OG1 2.87Å; P100-T153 VanDerWaalsContact O-OG1 3.09Å; W103-T153 HydrophobicContact CB-CG2 3.64Å; L145-T153 HydrophobicContact CD1-CG2 3.61Å; A149-T153 WeakPolarHBondContact O-CB 3.43Å; A149-T153 PolarHBondContact O-N 3Å; A149-T153 PolarHBondContact O-OG1 3.32Å; T153-Q155 PolarHBondContact O-N 3.13Å
154K95.3Very high94.2Very high24 Ų2435.2 Ų35.210%0.10419%0.188CC..EExtended strand (participates in β ladder)trans-63.9122.6171.3-177.8-174.469.7-178.50109.8H101 S102 W103 V156 S208 E210 P212 P218H101-K154 WeakPolarHBondContact O-CB 3.49Å; H101-K154 PolarHBondContact O-N 3Å; S102-K154 CarbonylContact C-O 3.52Å; S102-K154 WeakPolarHBondContact CA-O 3.36Å; S102-K154 WeakPolarHBondContact OG-CE 3.08Å; W103-K154 PolarHBondContact N-O 3.36Å; K154-V156 HydrophobicContact CD-CG2 4.45Å; K154-V156 HydrophobicContact CG-CG2 4.3Å; K154-S208 WeakPolarHBondContact CE-O 3.44Å; K154-S208 PolarHBondContact NZ-O 3.25Å; K154-E210 PolarHBondContact NZ-O 3.08Å; K154-P212 HydrophobicContact CB-CG 4.43Å; K154-P212 HydrophobicContact CD-CG 4.49Å; K154-P218 HydrophobicContact CB-CB 4.45Å
155Q96.4Very high94.1Very high6 Ų630.1 Ų30.13%0.02817%0.166CC..EExtended strand (participates in β ladder)trans-100131.5179.6-60-178.384.200110.8W103 L145 A150 T153 P220 P222 Q223W103-Q155 CarbonylContact O-C 3.05Å; W103-Q155 WeakPolarHBondContact O-CA 3.35Å; L145-Q155 HydrophobicContact CD1-CG 3.85Å; L145-Q155 HydrophobicContact CG-CG 4.2Å; A150-Q155 VanDerWaalsContact CB-NE2 3.35Å; T153-Q155 PolarHBondContact O-N 3.13Å; Q155-P220 PolarHBondContact NE2-O 3.23Å; Q155-P220 VanDerWaalsContact NE2-O 3.15Å; Q155-P222 HydrophobicContact CB-CB 3.99Å; Q155-P222 HydrophobicContact CB-CG 4.13Å; Q155-P222 WeakPolarHBondContact O-CA 3.08Å; Q155-Q223 PolarHBondContact O-N 3.48Å
156V97.9Very high93.8Very high2 Ų236.1 Ų36.11%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-133.4135.4178.4-174.60000110.5W103 V104 L105 K154 I158 Q223 Y225W103-V156 PolarHBondContact O-N 2.83Å; V104-V156 CarbonylContact C-O 3.59Å; V104-V156 WeakPolarHBondContact CA-O 3.29Å; V104-V156 HydrophobicContact CG1-CB 4.37Å; V104-V156 HydrophobicContact CG2-CB 4.23Å; L105-V156 PolarHBondContact N-O 3.41Å; K154-V156 HydrophobicContact CD-CG2 4.45Å; K154-V156 HydrophobicContact CG-CG2 4.3Å; V156-I158 HydrophobicContact CG1-CG1 4.13Å; V156-Q223 CarbonylContact C-O 3.58Å; V156-Q223 VanDerWaalsContact CA-O 3.29Å; V156-Q223 WeakPolarHBondContact CA-O 3.13Å; V156-Q223 HydrophobicContact CG2-CB 4.45Å; V156-Y225 HydrophobicContact CG1-CD2 3.5Å; V156-Y225 HydrophobicContact CG1-CE2 3.74Å
157V98.4Very high93.2Very high3 Ų338.8 Ų38.82%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-117.9125.4171.4178.70000108.9L105 E140 P222 Q223 V224 Y225L105-V157 HydrophobicContact CB-CG2 4.47Å; L105-V157 CarbonylContact O-C 3.59Å; L105-V157 WeakPolarHBondContact O-CA 3.42Å; E140-V157 HydrophobicContact CG-CG1 3.83Å; E140-V157 WeakPolarHBondContact OE1-CG1 3.09Å; V157-P222 HydrophobicContact CG2-CB 4.07Å; V157-Q223 PolarHBondContact N-O 2.91Å; V157-V224 HydrophobicContact CB-CG2 4.48Å; V157-V224 CarbonylContact O-C 3.58Å; V157-V224 WeakPolarHBondContact O-CA 3.31Å; V157-Y225 PolarHBondContact O-N 3.1Å
158I98.7Very high93.1Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-110.9110.5176.9-57.2165.8000108.9V104 L105 V106 S107 V156 A160 L201 I204 I205 Y225V104-I158 HydrophobicContact CG1-CD1 3.68Å; V104-I158 HydrophobicContact CG1-CG1 4.27Å; L105-I158 PolarHBondContact O-N 2.67Å; V106-I158 CarbonylContact C-O 3.58Å; V106-I158 WeakPolarHBondContact CA-O 3.28Å; V106-I158 HydrophobicContact CG2-CB 4.34Å; S107-I158 PolarHBondContact N-O 3.43Å; V156-I158 HydrophobicContact CG1-CG1 4.13Å; I158-A160 PolarHBondContact O-N 2.85Å; I158-L201 HydrophobicContact CG2-CD1 3.85Å; I158-I204 HydrophobicContact CD1-CG2 3.82Å; I158-I204 HydrophobicContact CG1-CG2 4.25Å; I158-I204 HydrophobicContact CG2-CG2 4.43Å; I158-I205 HydrophobicContact CD1-CB 4.25Å; I158-I205 HydrophobicContact CD1-CG1 3.56Å; I158-Y225 CarbonylContact C-O 3.5Å; I158-Y225 VanDerWaalsContact CA-O 3.29Å; I158-Y225 WeakPolarHBondContact CA-O 3.27Å
159R98.4Very high92.9Very high14 Ų1429.6 Ų29.65%0.05316%0.163CC..EExtended strand (participates in β ladder)trans-83.993.6175.8-71.3169.2179.7161.17.2109.3S107 V109 Y112 E140 Y225 G227S107-R159 VanDerWaalsContact OG-CG 3.31Å; S107-R159 WeakPolarHBondContact OG-CG 3.49Å; V109-R159 HydrophobicContact CG1-CB 4.43Å; V109-R159 WeakPolarHBondContact CG1-O 3.47Å; Y112-R159 PolarHBondContact OH-NH1 3.17Å; E140-R159 WeakPolarHBondContact OE1-CG 3.47Å; E140-R159 IonicContact OE1-CZ 3.8Å; E140-R159 IonicContact OE1-NE 2.6Å; E140-R159 PolarHBondContact OE1-NE 3.38Å; E140-R159 IonicContact OE1-NH2 3.32Å; E140-R159 IonicContact OE2-CZ 2.67Å; E140-R159 IonicContact OE2-NE 3.69Å; E140-R159 IonicContact OE2-NH2 2.75Å; E140-R159 PolarHBondContact OE2-NH2 3.12Å; R159-Y225 PolarHBondContact N-O 2.6Å; R159-G227 PolarHBondContact O-N 2.91Å
160A97.4Very high92.6Very high11 Ų1130.6 Ų30.69%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-79.3142.5-175.300000112.9V106 G108 V109 I158 L201V106-A160 HydrophobicContact CG1-CB 3.92Å; G108-A160 WeakPolarHBondContact CA-O 3.47Å; V109-A160 PolarHBondContact N-O 3.42Å; I158-A160 PolarHBondContact O-N 2.85Å; A160-L201 HydrophobicContact CB-CD1 4.17Å; A160-L201 HydrophobicContact CB-CD2 4.13Å
161G95.8Very high92.6Very high11 Ų1130.6 Ų30.611%0.11317%0.171CC..  trans-79.2-163.6164.300000112.8V163 P194 G227G161-V163 PolarHBondContact O-N 2.95Å; G161-V163 VanDerWaalsContact O-N 3.12Å; G161-P194 CarbonylContact C-O 3.55Å; G161-P194 WeakPolarHBondContact CA-O 3.3Å; G161-G227 PolarHBondContact N-O 3.43Å; G161-G227 VanDerWaalsContact N-O 3.07Å
162A94.8Very high92.5Very high29 Ų2932.7 Ų32.724%0.2418%0.181CC..EExtended strand (participates in β ladder)trans-63.5111.7171.700000110.5L164 F193 P194 W195 I196A162-L164 PolarHBondContact O-N 2.86Å; A162-F193 HydrophobicContact CB-CE1 4.46Å; A162-F193 HydrophobicContact CB-CE2 3.88Å; A162-F193 HydrophobicContact CB-CZ 3.69Å; A162-P194 PolarHBondContact N-O 3.25Å; A162-W195 CarbonylContact O-C 3.58Å; A162-W195 VanDerWaalsContact O-CA 3.28Å; A162-W195 WeakPolarHBondContact O-CA 3.4Å; A162-I196 PolarHBondContact O-N 3.48Å
163V95.8Very high92.1Very high22 Ų2233 Ų3313%0.13318%0.176CC..EExtended strand (participates in β ladder)trans-79.9119.7-178.7-164.90000110.5F11 V12 G161 A170 I196 V198 L201F11-V163 HydrophobicContact CD1-CG1 4.39Å; F11-V163 HydrophobicContact CE1-CB 4.08Å; F11-V163 HydrophobicContact CE1-CG1 3.7Å; V12-V163 HydrophobicContact CG2-CB 4.48Å; V12-V163 HydrophobicContact CG2-CG1 4.11Å; V12-V163 HydrophobicContact CG2-CG2 4.24Å; G161-V163 PolarHBondContact O-N 2.95Å; G161-V163 VanDerWaalsContact O-N 3.12Å; V163-A170 PolarHBondContact O-N 3.45Å; V163-I196 WeakPolarHBondContact CA-O 3.4Å; V163-I196 HydrophobicContact CB-CG2 4.5Å; V163-I196 HydrophobicContact CG1-CG2 4.39Å; V163-I196 HydrophobicContact CG2-CG2 4.16Å; V163-V198 HydrophobicContact CG1-CB 3.8Å; V163-V198 HydrophobicContact CG1-CG2 3.98Å; V163-L201 HydrophobicContact CB-CD2 4.47Å; V163-L201 HydrophobicContact CG1-CD2 4.07Å; V163-L201 HydrophobicContact CG2-CD2 3.51Å
164L96.1Very high91.8Very high0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-103.4133.6-178.3-50.6-175.2000110.7A162 A170 M171 M174 F193 W195 I196 V198 F238 L294 I301A162-L164 PolarHBondContact O-N 2.86Å; L164-A170 HydrophobicContact CD2-CB 4.32Å; L164-M171 HydrophobicContact CB-CG 4.03Å; L164-M171 HydrophobicContact CD2-CG 4.11Å; L164-M171 HydrophobicContact CD2-SD 4.16Å; L164-M174 HydrophobicContact CD2-CE 4.49Å; L164-F193 HydrophobicContact CD2-CE1 4.38Å; L164-F193 HydrophobicContact CD2-CZ 4.34Å; L164-W195 HydrophobicContact CD1-CB 3.94Å; L164-W195 HydrophobicContact CD1-CD2 3.95Å; L164-W195 HydrophobicContact CD1-CE3 3.62Å; L164-W195 HydrophobicContact CD1-CG 4.09Å; L164-W195 HydrophobicContact CD1-CZ3 4.46Å; L164-W195 HydrophobicContact CG-CB 4.18Å; L164-W195 HydrophobicContact CG-CE3 4.31Å; L164-I196 PolarHBondContact N-O 3.49Å; L164-V198 PolarHBondContact O-N 3.15Å; L164-F238 HydrophobicContact CD1-CE2 3.86Å; L164-F238 HydrophobicContact CD2-CE2 4.39Å; L164-L294 HydrophobicContact CD1-CD1 4.46Å; L164-I301 HydrophobicContact CB-CD1 3.64Å
165G94.3Very high91.4Very high1 Ų135.7 Ų35.71%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-175.8160.6173.200000111.6D167 G168 M171G165-D167 PolarHBondContact O-N 3.44Å; G165-G168 VanDerWaalsContact O-O 3.13Å; G165-M171 VanDerWaalsContact O-CB 3.28Å; G165-M171 WeakPolarHBondContact O-CB 3.49Å
166R88.3Confident91.1Very high140 Ų14040.6 Ų40.653%0.52822%0.217SC..THydrogen-bonded Turntrans-58.6-46.8-171.8-171.8172.5-177.8145-0.3114.2I301R166-I301 HydrophobicContact CB-CG2 4.47Å; R166-I301 WeakPolarHBondContact CB-O 3.43Å; R166-I301 WeakPolarHBondContact CD-O 3.15Å; R166-I301 WeakPolarHBondContact CG-O 3.31Å
167D81.9Confident90.7Very high121 Ų12142.9 Ų42.965%0.64723%0.232SC*.THydrogen-bonded Turntrans-100.720-167-56.1-48.7000114.1G165G165-D167 PolarHBondContact O-N 3.44Å
168G85.5Confident90.4Very high6 Ų643.4 Ų43.46%0.06223%0.234CC..EExtended strand (participates in β ladder)trans174.3-154.9-179.900000114.6G165 K172G165-G168 VanDerWaalsContact O-O 3.13Å; G168-K172 PolarHBondContact O-N 3Å
169G83.1Confident90Very high35 Ų3550.3 Ų50.336%0.36126%0.26SS..EExtended strand (participates in β ladder)trans59-151.5-177.500000112.7F11 M171F11-G169 VanDerWaalsContact CE1-CA 3.49Å; G169-M171 VanDerWaalsContact C-N 3.29Å; G169-M171 PolarHBondContact O-N 3.16Å
170A83.8Confident89.7Confident28 Ų2854.2 Ų54.223%0.23128%0.281CS..THydrogen-bonded Turntrans-65.9-34.3177.900000111.7V163 L164 K172 Q173 M174V163-A170 PolarHBondContact O-N 3.45Å; L164-A170 HydrophobicContact CD2-CB 4.32Å; A170-K172 VanDerWaalsContact C-N 3.31Å; A170-K172 PolarHBondContact O-N 3.45Å; A170-Q173 PolarHBondContact O-N 2.9Å; A170-Q173 VanDerWaalsContact O-N 3.16Å; A170-M174 HydrophobicContact CB-CE 3.69Å; A170-M174 WeakPolarHBondContact O-CG 3.49Å; A170-M174 PolarHBondContact O-N 2.63Å
171M89.3Confident89.4Confident0 Ų054.4 Ų54.40%028%0.284CS..Hα-helixtrans-60.6-36.9-175.6-69.7-57.7-65.800113L164 G165 G169 Q173 M174 L175 F238 L242 L298 I301L164-M171 HydrophobicContact CB-CG 4.03Å; L164-M171 HydrophobicContact CD2-CG 4.11Å; L164-M171 HydrophobicContact CD2-SD 4.16Å; G165-M171 VanDerWaalsContact O-CB 3.28Å; G165-M171 WeakPolarHBondContact O-CB 3.49Å; G169-M171 VanDerWaalsContact C-N 3.29Å; G169-M171 PolarHBondContact O-N 3.16Å; M171-Q173 PolarHBondContact O-N 2.97Å; M171-Q173 VanDerWaalsContact O-N 3.14Å; M171-M174 HydrophobicContact CG-CE 4.49Å; M171-M174 PolarHBondContact O-N 3.44Å; M171-M174 HydrophobicContact SD-CE 3.64Å; M171-L175 HydrophobicContact CB-CD1 4.43Å; M171-L175 HydrophobicContact CB-CG 4.42Å; M171-L175 HydrophobicContact CE-CD2 3.63Å; M171-L175 HydrophobicContact CE-CG 4.02Å; M171-L175 WeakPolarHBondContact O-CB 3.48Å; M171-L175 VanDerWaalsContact O-CG 3.27Å; M171-L175 WeakPolarHBondContact O-CG 3.32Å; M171-L175 PolarHBondContact O-N 3.29Å; M171-F238 HydrophobicContact SD-CE2 4.44Å; M171-F238 HydrophobicContact SD-CZ 3.93Å; M171-L242 HydrophobicContact CE-CD1 3.95Å; M171-L242 HydrophobicContact CE-CD2 4.15Å; M171-L298 HydrophobicContact CE-CD2 4.01Å; M171-L298 HydrophobicContact SD-CD2 4.2Å; M171-I301 HydrophobicContact CE-CG2 3.79Å; M171-I301 HydrophobicContact CG-CD1 4.31Å; M171-I301 HydrophobicContact CG-CG2 4.16Å
172K85.8Confident89.1Confident154 Ų15458.8 Ų58.867%0.6731%0.305SS*.Hα-helixtrans-56.5-33.1178.7-174.8175.5-179.3179.50113.2G168 A170G168-K172 PolarHBondContact O-N 3Å; A170-K172 VanDerWaalsContact C-N 3.31Å; A170-K172 PolarHBondContact O-N 3.45Å
173Q82.7Confident88.8Confident85 Ų8557.5 Ų57.540%0.39729%0.294SS..Hα-helixtrans-85.1-27178.3-63.5179.9-3.700112.3L64 A170 M171 P177L64-Q173 PolarHBondContact O-NE2 2.95Å; A170-Q173 PolarHBondContact O-N 2.9Å; A170-Q173 VanDerWaalsContact O-N 3.16Å; M171-Q173 PolarHBondContact O-N 2.97Å; M171-Q173 VanDerWaalsContact O-N 3.14Å; Q173-P177 WeakPolarHBondContact O-CD 3.42Å
174M87.4Confident88.6Confident40 Ų4056.7 Ų56.720%0.19729%0.29CS..Hα-helixtrans-90.8-30-175.2-62.7-174.2-6500113.7L164 A170 M171 L176 P177 F178 F238L164-M174 HydrophobicContact CD2-CE 4.49Å; A170-M174 HydrophobicContact CB-CE 3.69Å; A170-M174 WeakPolarHBondContact O-CG 3.49Å; A170-M174 PolarHBondContact O-N 2.63Å; M171-M174 HydrophobicContact CG-CE 4.49Å; M171-M174 PolarHBondContact O-N 3.44Å; M171-M174 HydrophobicContact SD-CE 3.64Å; M174-L176 PolarHBondContact O-N 3.48Å; M174-P177 WeakPolarHBondContact O-CD 3.4Å; M174-F178 HydrophobicContact CB-CD2 4.28Å; M174-F178 HydrophobicContact CB-CE2 4.45Å; M174-F178 WeakPolarHBondContact O-CB 3.35Å; M174-F178 VanDerWaalsContact O-CD2 3.26Å; M174-F178 WeakPolarHBondContact O-CD2 3.35Å; M174-F178 PolarHBondContact O-N 2.88Å; M174-F178 VanDerWaalsContact O-N 3.12Å; M174-F238 HydrophobicContact CE-CE1 3.88Å; M174-F238 HydrophobicContact CE-CZ 3.56Å; M174-F238 HydrophobicContact SD-CE1 3.84Å; M174-F238 HydrophobicContact SD-CZ 4.16Å
175L88.4Confident88.4Confident41 Ų4157.5 Ų57.522%0.21530%0.295CS..Hα-helixtrans-60.5-44.6-171.5-80173.2000113.2M171 W179 V302M171-L175 HydrophobicContact CB-CD1 4.43Å; M171-L175 HydrophobicContact CB-CG 4.42Å; M171-L175 HydrophobicContact CE-CD2 3.63Å; M171-L175 HydrophobicContact CE-CG 4.02Å; M171-L175 WeakPolarHBondContact O-CB 3.48Å; M171-L175 VanDerWaalsContact O-CG 3.27Å; M171-L175 WeakPolarHBondContact O-CG 3.32Å; M171-L175 PolarHBondContact O-N 3.29Å; L175-W179 WeakPolarHBondContact O-CB 3.31Å; L175-W179 PolarHBondContact O-N 2.97Å; L175-V302 HydrophobicContact CD2-CG1 4.12Å
176L89.6Confident88.2Confident109 Ų10958.9 Ų58.957%0.57130%0.302SS*.Hα-helixtrans-66.3-51.4-178.1176.666.6000112.3M174 F178 W179 L180M174-L176 PolarHBondContact O-N 3.48Å; L176-F178 VanDerWaalsContact C-N 3.33Å; L176-F178 PolarHBondContact O-N 2.9Å; L176-W179 HydrophobicContact CD1-CE3 4.45Å; L176-W179 PolarHBondContact O-N 3.07Å; L176-L180 HydrophobicContact CD1-CD1 4.05Å; L176-L180 HydrophobicContact CD1-CG 4.17Å; L176-L180 HydrophobicContact CG-CD1 4.14Å; L176-L180 WeakPolarHBondContact O-CG 3.36Å; L176-L180 PolarHBondContact O-N 3.43Å
177P89.4Confident88.3Confident51 Ų5153.5 Ų53.533%0.33129%0.29SS..Hα-helixtrans-54.6-45.4173.9-27.333.4000113.3Q173 M174 L180 G181 L182 G183Q173-P177 WeakPolarHBondContact O-CD 3.42Å; M174-P177 WeakPolarHBondContact O-CD 3.4Å; P177-L180 PolarHBondContact O-N 2.8Å; P177-G181 PolarHBondContact O-N 2.86Å; P177-L182 CarbonylContact O-C 3.51Å; P177-L182 WeakPolarHBondContact O-CA 3.31Å; P177-L182 WeakPolarHBondContact O-CB 3.32Å; P177-L182 PolarHBondContact O-N 2.91Å; P177-G183 PolarHBondContact O-N 3.28Å
178F91.9Very high88.7Confident13 Ų1351.9 Ų51.96%0.05729%0.288CS..Hα-helixtrans-65.3-40.6178.5-87.9-102.5000112.3M174 L176 L180 G181 T239 L242 L246 R248 T250M174-F178 HydrophobicContact CB-CD2 4.28Å; M174-F178 HydrophobicContact CB-CE2 4.45Å; M174-F178 WeakPolarHBondContact O-CB 3.35Å; M174-F178 VanDerWaalsContact O-CD2 3.26Å; M174-F178 WeakPolarHBondContact O-CD2 3.35Å; M174-F178 PolarHBondContact O-N 2.88Å; M174-F178 VanDerWaalsContact O-N 3.12Å; L176-F178 VanDerWaalsContact C-N 3.33Å; L176-F178 PolarHBondContact O-N 2.9Å; F178-L180 VanDerWaalsContact C-N 3.27Å; F178-L180 PolarHBondContact O-N 2.82Å; F178-G181 PolarHBondContact O-N 2.81Å; F178-T239 HydrophobicContact CE1-CG2 3.94Å; F178-T239 HydrophobicContact CZ-CG2 3.88Å; F178-L242 HydrophobicContact CB-CD2 4.27Å; F178-L242 HydrophobicContact CB-CG 4.44Å; F178-L242 HydrophobicContact CD1-CB 4.05Å; F178-L242 HydrophobicContact CD1-CD2 3.58Å; F178-L242 HydrophobicContact CD1-CG 3.57Å; F178-L242 HydrophobicContact CD2-CD2 3.91Å; F178-L242 HydrophobicContact CE1-CB 3.94Å; F178-L242 HydrophobicContact CE1-CD2 3.75Å; F178-L242 HydrophobicContact CE1-CG 3.91Å; F178-L242 HydrophobicContact CE2-CD2 4.06Å; F178-L242 HydrophobicContact CG-CD2 3.64Å; F178-L242 HydrophobicContact CG-CG 4.02Å; F178-L242 HydrophobicContact CZ-CD2 3.98Å; F178-L246 HydrophobicContact CB-CD1 3.69Å; F178-R248 VanDerWaalsContact O-CB 3.31Å; F178-R248 WeakPolarHBondContact O-CB 3.47Å; F178-R248 WeakPolarHBondContact O-CG 3.47Å; F178-T250 HydrophobicContact CD1-CG2 4.06Å; F178-T250 HydrophobicContact CE1-CG2 3.78Å
179W90.6Very high89Confident146 Ų14651.6 Ų51.655%0.55329%0.285SS*.Hα-helixtrans-64.4-32177.3-174.780.9000112.7L175 L176 G181 R248L175-W179 WeakPolarHBondContact O-CB 3.31Å; L175-W179 PolarHBondContact O-N 2.97Å; L176-W179 HydrophobicContact CD1-CE3 4.45Å; L176-W179 PolarHBondContact O-N 3.07Å; W179-G181 PolarHBondContact O-N 2.84Å; W179-R248 WeakPolarHBondContact O-CD 3.3Å; W179-R248 PolarHBondContact O-NE 3.01Å
180L91.9Very high89.6Confident96 Ų9652.7 Ų52.750%0.50329%0.287SS..THydrogen-bonded Turntrans-78.2-1.7173.1-65.6174.2000113.6L176 P177 F178 L182L176-L180 HydrophobicContact CD1-CD1 4.05Å; L176-L180 HydrophobicContact CD1-CG 4.17Å; L176-L180 HydrophobicContact CG-CD1 4.14Å; L176-L180 WeakPolarHBondContact O-CG 3.36Å; L176-L180 PolarHBondContact O-N 3.43Å; P177-L180 PolarHBondContact O-N 2.8Å; F178-L180 VanDerWaalsContact C-N 3.27Å; F178-L180 PolarHBondContact O-N 2.82Å; L180-L182 VanDerWaalsContact C-N 3.27Å; L180-L182 HydrophobicContact CB-CD1 4.24Å; L180-L182 HydrophobicContact CB-CG 4.18Å; L180-L182 PolarHBondContact O-N 3.24Å
181G90.8Very high90.1Very high15 Ų1551.6 Ų51.616%0.15528%0.278CS..THydrogen-bonded Turntrans74.715.8-175.600000114.3P177 F178 W179P177-G181 PolarHBondContact O-N 2.86Å; F178-G181 PolarHBondContact O-N 2.81Å; W179-G181 PolarHBondContact O-N 2.84Å
182L89.2Confident90.5Very high103 Ų10352.1 Ų52.154%0.53928%0.281SS..  trans-98.510.4176.1-56.6176.4000112.1P177 L180P177-L182 CarbonylContact O-C 3.51Å; P177-L182 WeakPolarHBondContact O-CA 3.31Å; P177-L182 WeakPolarHBondContact O-CB 3.32Å; P177-L182 PolarHBondContact O-N 2.91Å; L180-L182 VanDerWaalsContact C-N 3.27Å; L180-L182 HydrophobicContact CB-CD1 4.24Å; L180-L182 HydrophobicContact CB-CG 4.18Å; L180-L182 PolarHBondContact O-N 3.24Å
183G89Confident91Very high2 Ų246.5 Ų46.52%0.02126%0.257CS..  trans-68.1142.8175.300000111.4P177 T250P177-G183 PolarHBondContact O-N 3.28Å; G183-T250 WeakPolarHBondContact O-CA 3.43Å
184G91.2Very high91.7Very high5 Ų543.4 Ų43.45%0.05224%0.244CC..  trans-155.3151.4-169.300000113.5T239 L252G184-T239 VanDerWaalsContact C-CG2 3.45Å; G184-L252 WeakPolarHBondContact CA-O 3.41Å
185T92.7Very high92.1Very high16 Ų1641.6 Ų41.610%0.09824%0.235CC..  trans-69.2136.5171.252.70000108.8N235 H236 T239 P253 V254T185-N235 WeakPolarHBondContact CA-OD1 3.48Å; T185-H236 HydrophobicContact CG2-CB 4.4Å; T185-T239 HydrophobicContact CG2-CG2 3.83Å; T185-P253 CarbonylContact O-C 3.58Å; T185-P253 WeakPolarHBondContact O-CA 3.44Å; T185-P253 WeakPolarHBondContact OG1-CB 3.37Å; T185-V254 PolarHBondContact O-N 3.27Å
186L90.6Very high92.6Very high31 Ų3139.7 Ų39.716%0.16223%0.225CC..BIsolated β-bridgetrans-90.3122.8-178.6-53.5-175.8000109.4S188 G189 Q191 N235 V254 L259 L271L186-S188 PolarHBondContact O-N 2.75Å; L186-G189 PolarHBondContact O-N 3Å; L186-G189 VanDerWaalsContact O-N 3.13Å; L186-Q191 PolarHBondContact O-NE2 3.16Å; L186-Q191 PolarHBondContact O-OE1 3.12Å; L186-N235 PolarHBondContact N-OD1 3.26Å; L186-V254 HydrophobicContact CD2-CB 3.85Å; L186-V254 HydrophobicContact CD2-CG2 3.94Å; L186-L259 HydrophobicContact CB-CD1 4.11Å; L186-L259 HydrophobicContact CD2-CD1 4.32Å; L186-L259 HydrophobicContact CD2-CD2 4.4Å; L186-L271 HydrophobicContact CD1-CB 3.94Å
187G89.4Confident93Very high26 Ų2634.5 Ų34.527%0.26820%0.198SC..THydrogen-bonded Turntrans60.7-130.9-17600000111.9G189 V254G187-G189 VanDerWaalsContact C-N 3.27Å; G187-G189 PolarHBondContact O-N 3.33Å; G187-V254 PolarHBondContact N-O 2.89Å
188S89.8Confident93.4Very high87 Ų8732.6 Ų32.661%0.60819%0.185SC*.THydrogen-bonded Turntrans-70.1-24.2176.164.10000113.1L186 S190L186-S188 PolarHBondContact O-N 2.75Å; S188-S190 PolarHBondContact O-N 3.49Å; S188-S190 PolarHBondContact OG-N 3.37Å; S188-S190 PolarHBondContact OG-OG 2.87Å
189G92.9Very high93.6Very high0 Ų032.9 Ų32.90%019%0.189CC..SBendtrans75.5-8.5-171.300000114.2L186 G187 Q191 N235 H236L186-G189 PolarHBondContact O-N 3Å; L186-G189 VanDerWaalsContact O-N 3.13Å; G187-G189 VanDerWaalsContact C-N 3.27Å; G187-G189 PolarHBondContact O-N 3.33Å; G189-Q191 VanDerWaalsContact C-N 3.29Å; G189-Q191 VanDerWaalsContact N-OE1 3.11Å; G189-Q191 PolarHBondContact O-N 3.12Å; G189-N235 PolarHBondContact O-N 2.93Å; G189-H236 WeakPolarHBondContact O-CB 3.45Å; G189-H236 PolarHBondContact O-N 3.27Å
190S94.7Very high94Very high58 Ų5826 Ų2641%0.40616%0.163SC..  trans-79.1-12.9-177.564.90000113.4S188S188-S190 PolarHBondContact O-N 3.49Å; S188-S190 PolarHBondContact OG-N 3.37Å; S188-S190 PolarHBondContact OG-OG 2.87Å
191Q95.4Very high94.3Very high6 Ų621.5 Ų21.53%0.02814%0.139CC..SBendtrans-63.9136.6-179.870.3-8021.400110.7L186 G189 T234 N235 L271 T272L186-Q191 PolarHBondContact O-NE2 3.16Å; L186-Q191 PolarHBondContact O-OE1 3.12Å; G189-Q191 VanDerWaalsContact C-N 3.29Å; G189-Q191 VanDerWaalsContact N-OE1 3.11Å; G189-Q191 PolarHBondContact O-N 3.12Å; Q191-T234 CarbonylContact O-C 3.58Å; Q191-T234 VanDerWaalsContact O-CA 3.32Å; Q191-T234 WeakPolarHBondContact O-CA 3.46Å; Q191-N235 HydrophobicContact CG-CB 4.11Å; Q191-N235 PolarHBondContact O-N 3.03Å; Q191-L271 PolarHBondContact NE2-O 3.34Å; Q191-T272 WeakPolarHBondContact CG-O 3.43Å
192P96.9Very high94.7Very high11 Ų1120.8 Ų20.87%0.07113%0.132CC..BIsolated β-bridgetrans-55.8143169.1-25.334.7000111P194 T233 G274 Q275 K276P192-P194 WeakPolarHBondContact O-CD 3.28Å; P192-T233 CarbonylContact C-O 3.59Å; P192-G274 WeakPolarHBondContact O-CA 3.39Å; P192-Q275 VanDerWaalsContact CB-C 3.49Å; P192-Q275 WeakPolarHBondContact CB-O 3.43Å; P192-K276 HydrophobicContact CB-CB 4.26Å; P192-K276 HydrophobicContact CG-CB 4.09Å
193F96.6Very high95.1Very high36 Ų3616.5 Ų16.516%0.15811%0.112CC..  trans-121.186.2178.4-176.7-114.5000108.1A162 L164 W195 T233 F238A162-F193 HydrophobicContact CB-CE1 4.46Å; A162-F193 HydrophobicContact CB-CE2 3.88Å; A162-F193 HydrophobicContact CB-CZ 3.69Å; L164-F193 HydrophobicContact CD2-CE1 4.38Å; L164-F193 HydrophobicContact CD2-CZ 4.34Å; F193-W195 HydrophobicContact CD1-CB 3.94Å; F193-W195 AromaticContact CD1-CD1 3.98Å; F193-W195 HydrophobicContact CD1-CG 4.26Å; F193-W195 HydrophobicContact CE1-CB 3.74Å; F193-W195 HydrophobicContact CE1-CG 4.33Å; F193-W195 VanDerWaalsContact O-CD1 3.24Å; F193-W195 PolarHBondContact O-N 2.86Å; F193-T233 PolarHBondContact N-O 3.27Å; F193-F238 HydrophobicContact CD1-CB 4.08Å; F193-F238 AromaticContact CD1-CD2 3.85Å; F193-F238 HydrophobicContact CD1-CD2 3.85Å; F193-F238 AromaticContact CD1-CG 3.96Å; F193-F238 HydrophobicContact CD1-CG 3.96Å; F193-F238 HydrophobicContact CE1-CB 4.49Å; F193-F238 HydrophobicContact CE1-CD1 4.41Å; F193-F238 AromaticContact CE1-CD2 3.5Å; F193-F238 HydrophobicContact CE1-CD2 3.5Å; F193-F238 AromaticContact CE1-CE2 3.77Å; F193-F238 HydrophobicContact CE1-CE2 3.77Å; F193-F238 AromaticContact CE1-CG 3.88Å; F193-F238 HydrophobicContact CE1-CG 3.88Å; F193-F238 HydrophobicContact CE1-CZ 4.35Å; F193-F238 HydrophobicContact CZ-CD2 4.48Å; F193-F238 HydrophobicContact CZ-CE2 4.47Å
194P96.7Very high95.6Very high19 Ų1916.6 Ų16.612%0.12311%0.112CC..  trans-67.911617726.9-32.1000109V109 G161 A162 P192 V228 V277V109-P194 HydrophobicContact CG2-CB 4.26Å; V109-P194 HydrophobicContact CG2-CG 3.82Å; G161-P194 CarbonylContact C-O 3.55Å; G161-P194 WeakPolarHBondContact CA-O 3.3Å; A162-P194 PolarHBondContact N-O 3.25Å; P192-P194 WeakPolarHBondContact O-CD 3.28Å; P194-V228 HydrophobicContact CB-CG1 3.95Å; P194-V277 HydrophobicContact CB-CB 4.37Å; P194-V277 HydrophobicContact CB-CG2 4.19Å
195W97Very high95.9Very high3 Ų316.4 Ų16.41%0.01111%0.11CC..EExtended strand (participates in β ladder)trans-131.1160.3-175.467.9-91.6000111.2A162 L164 F193 V228 A229 A231 T233 L294 A297A162-W195 CarbonylContact O-C 3.58Å; A162-W195 VanDerWaalsContact O-CA 3.28Å; A162-W195 WeakPolarHBondContact O-CA 3.4Å; L164-W195 HydrophobicContact CD1-CB 3.94Å; L164-W195 HydrophobicContact CD1-CD2 3.95Å; L164-W195 HydrophobicContact CD1-CE3 3.62Å; L164-W195 HydrophobicContact CD1-CG 4.09Å; L164-W195 HydrophobicContact CD1-CZ3 4.46Å; L164-W195 HydrophobicContact CG-CB 4.18Å; L164-W195 HydrophobicContact CG-CE3 4.31Å; F193-W195 HydrophobicContact CD1-CB 3.94Å; F193-W195 AromaticContact CD1-CD1 3.98Å; F193-W195 HydrophobicContact CD1-CG 4.26Å; F193-W195 HydrophobicContact CE1-CB 3.74Å; F193-W195 HydrophobicContact CE1-CG 4.33Å; F193-W195 VanDerWaalsContact O-CD1 3.24Å; F193-W195 PolarHBondContact O-N 2.86Å; W195-V228 CarbonylContact O-C 3.6Å; W195-V228 WeakPolarHBondContact O-CA 3.41Å; W195-A229 HydrophobicContact CD2-CB 4.07Å; W195-A229 HydrophobicContact CE3-CB 4.04Å; W195-A229 HydrophobicContact CH2-CB 3.66Å; W195-A229 HydrophobicContact CZ2-CB 3.69Å; W195-A229 HydrophobicContact CZ3-CB 3.85Å; W195-A229 PolarHBondContact O-N 3.37Å; W195-A231 HydrophobicContact CZ2-CB 4.45Å; W195-T233 PolarHBondContact NE1-OG1 2.76Å; W195-L294 HydrophobicContact CD2-CD1 4.1Å; W195-L294 HydrophobicContact CH2-CB 4.39Å; W195-L294 HydrophobicContact CH2-CD1 4.35Å; W195-L294 VanDerWaalsContact CZ2-CA 3.42Å; W195-L294 HydrophobicContact CZ2-CB 3.69Å; W195-L294 HydrophobicContact CZ2-CD1 3.84Å; W195-L294 HydrophobicContact CZ2-CG 4.38Å; W195-A297 HydrophobicContact CH2-CB 3.67Å; W195-A297 HydrophobicContact CZ3-CB 3.48Å; W195-A297 VanDerWaalsContact CZ3-CB 3.48Å
196I98Very high96.2Very high0 Ų015.8 Ų15.80%011%0.107CC..EExtended strand (participates in β ladder)trans-147.1143.3170-169.6163000110.2A162 V163 L164 D200 L201 I204 G227 F289A162-I196 PolarHBondContact O-N 3.48Å; V163-I196 WeakPolarHBondContact CA-O 3.4Å; V163-I196 HydrophobicContact CB-CG2 4.5Å; V163-I196 HydrophobicContact CG1-CG2 4.39Å; V163-I196 HydrophobicContact CG2-CG2 4.16Å; L164-I196 PolarHBondContact N-O 3.49Å; I196-D200 HydrophobicContact CD1-CB 4.11Å; I196-D200 HydrophobicContact CG1-CB 3.92Å; I196-L201 HydrophobicContact CD1-CB 4.03Å; I196-L201 HydrophobicContact CG1-CB 4.32Å; I196-L201 HydrophobicContact CG2-CB 4.03Å; I196-L201 HydrophobicContact CG2-CD2 4.39Å; I196-I204 HydrophobicContact CD1-CD1 3.61Å; I196-G227 WeakPolarHBondContact CB-O 3.42Å; I196-G227 VanDerWaalsContact CD1-C 3.48Å; I196-G227 VanDerWaalsContact CG2-O 3.3Å; I196-G227 WeakPolarHBondContact CG2-O 3.34Å; I196-F289 HydrophobicContact CD1-CE1 4.17Å
197H98Very high96.5Very high1 Ų119.2 Ų19.21%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-70139.1170.8-170.8-85.1000110.7S199 D200 L201 Y291 A297 Q300H197-S199 VanDerWaalsContact C-N 3.26Å; H197-S199 PolarHBondContact CE1-OG 3.35Å; H197-S199 VanDerWaalsContact CE1-OG 3.28Å; H197-S199 WeakPolarHBondContact ND1-CB 3.35Å; H197-S199 PolarHBondContact ND1-N 2.82Å; H197-S199 VanDerWaalsContact ND1-N 3.1Å; H197-S199 PolarHBondContact ND1-OG 2.87Å; H197-S199 PolarHBondContact O-N 3.46Å; H197-D200 HydrophobicContact CB-CB 4.48Å; H197-D200 WeakPolarHBondContact O-CA 3.29Å; H197-D200 WeakPolarHBondContact O-CB 3.47Å; H197-D200 PolarHBondContact O-N 3.22Å; H197-L201 PolarHBondContact O-N 2.98Å; H197-Y291 HydrophobicContact CB-CD2 3.66Å; H197-Y291 HydrophobicContact CB-CG 4.07Å; H197-Y291 AromaticContact CD2-CD2 3.83Å; H197-Y291 AromaticContact CE1-CD2 3.82Å; H197-Y291 AromaticContact CE1-CE2 3.41Å; H197-Y291 VanDerWaalsContact CE1-CE2 3.41Å; H197-Y291 WeakPolarHBondContact CE1-CE2 3.46Å; H197-Y291 AromaticContact CG-CD2 3.26Å; H197-Y291 AromaticContact CG-CE2 3.71Å; H197-Y291 AromaticContact CG-CG 3.85Å; H197-Y291 AromaticContact ND1-CD2 3.25Å; H197-Y291 VanDerWaalsContact ND1-CD2 3.25Å; H197-Y291 WeakPolarHBondContact ND1-CD2 3.37Å; H197-Y291 AromaticContact ND1-CE2 3.25Å; H197-Y291 WeakPolarHBondContact ND1-CE2 3.3Å; H197-Y291 AromaticContact NE2-CE2 3.94Å; H197-A297 HydrophobicContact CB-CB 4.48Å; H197-Q300 PolarHBondContact NE2-OE1 3.4Å
198V97.7Very high96.8Very high10 Ų1018.3 Ų18.36%0.06111%0.107CC..Hα-helixtrans-57.4-37.1-175.4670000113.2F11 E15 V163 L164 D200 L201 A202F11-V198 HydrophobicContact CD1-CG2 4.37Å; F11-V198 HydrophobicContact CE1-CB 4.05Å; F11-V198 HydrophobicContact CE1-CG2 3.84Å; F11-V198 HydrophobicContact CE2-CB 4.41Å; F11-V198 HydrophobicContact CE2-CG1 4.44Å; F11-V198 HydrophobicContact CE2-CG2 4.12Å; F11-V198 HydrophobicContact CZ-CB 3.7Å; F11-V198 HydrophobicContact CZ-CG1 4.05Å; F11-V198 HydrophobicContact CZ-CG2 3.7Å; E15-V198 HydrophobicContact CB-CG2 3.8Å; E15-V198 HydrophobicContact CG-CG1 4.24Å; E15-V198 HydrophobicContact CG-CG2 4.03Å; V163-V198 HydrophobicContact CG1-CB 3.8Å; V163-V198 HydrophobicContact CG1-CG2 3.98Å; L164-V198 PolarHBondContact O-N 3.15Å; V198-D200 VanDerWaalsContact C-N 3.33Å; V198-D200 PolarHBondContact O-N 3.47Å; V198-L201 PolarHBondContact O-N 2.85Å; V198-A202 WeakPolarHBondContact O-CB 3.48Å; V198-A202 PolarHBondContact O-N 3.12Å
199S97.5Very high97.2Very high20 Ų2014.2 Ų14.214%0.148%0.078CC..Hα-helixtrans-67.7-31.6175.3-51.20000112.9E15 H197 G203E15-S199 WeakPolarHBondContact OE1-CB 3.29Å; E15-S199 PolarHBondContact OE1-OG 3.38Å; H197-S199 VanDerWaalsContact C-N 3.26Å; H197-S199 PolarHBondContact CE1-OG 3.35Å; H197-S199 VanDerWaalsContact CE1-OG 3.28Å; H197-S199 WeakPolarHBondContact ND1-CB 3.35Å; H197-S199 PolarHBondContact ND1-N 2.82Å; H197-S199 VanDerWaalsContact ND1-N 3.1Å; H197-S199 PolarHBondContact ND1-OG 2.87Å; H197-S199 PolarHBondContact O-N 3.46Å; S199-G203 PolarHBondContact O-N 3.26Å
200D98.4Very high97.2Very high1 Ų117.7 Ų17.71%0.0059%0.094CC..Hα-helixtrans-73.7-43.7176.6-75.2-44.3000110.8I196 H197 V198 A202 G203 I204 Y287 F289 K290 Y291I196-D200 HydrophobicContact CD1-CB 4.11Å; I196-D200 HydrophobicContact CG1-CB 3.92Å; H197-D200 HydrophobicContact CB-CB 4.48Å; H197-D200 WeakPolarHBondContact O-CA 3.29Å; H197-D200 WeakPolarHBondContact O-CB 3.47Å; H197-D200 PolarHBondContact O-N 3.22Å; V198-D200 VanDerWaalsContact C-N 3.33Å; V198-D200 PolarHBondContact O-N 3.47Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.02Å; D200-G203 CarbonylContact O-C 3.55Å; D200-G203 WeakPolarHBondContact O-CA 3.26Å; D200-G203 PolarHBondContact O-N 3.09Å; D200-I204 WeakPolarHBondContact O-CG1 3.17Å; D200-I204 PolarHBondContact O-N 3.23Å; D200-Y287 VanDerWaalsContact CA-OH 3.25Å; D200-Y287 WeakPolarHBondContact CA-OH 3.37Å; D200-Y287 HydrophobicContact CB-CE1 4.42Å; D200-Y287 PolarHBondContact O-OH 3.39Å; D200-Y287 VanDerWaalsContact O-OH 3.04Å; D200-Y287 PolarHBondContact OD1-OH 3.23Å; D200-F289 HydrophobicContact CB-CD1 4.03Å; D200-K290 WeakPolarHBondContact OD1-CB 3.33Å; D200-K290 PolarHBondContact OD1-N 3.05Å; D200-Y291 WeakPolarHBondContact OD2-CA 3.45Å; D200-Y291 WeakPolarHBondContact OD2-CB 3.37Å; D200-Y291 PolarHBondContact OD2-N 2.96Å
201L98.6Very high96.8Very high1 Ų118.4 Ų18.41%0.00510%0.098CC..Hα-helixtrans-58.6-45.2173.1-179.459.7000111.5V12 I158 A160 V163 I196 H197 V198 G203 I204 I205V12-L201 HydrophobicContact CG1-CD2 3.82Å; V12-L201 HydrophobicContact CG1-CG 4.17Å; V12-L201 HydrophobicContact CG2-CD2 3.94Å; I158-L201 HydrophobicContact CG2-CD1 3.85Å; A160-L201 HydrophobicContact CB-CD1 4.17Å; A160-L201 HydrophobicContact CB-CD2 4.13Å; V163-L201 HydrophobicContact CB-CD2 4.47Å; V163-L201 HydrophobicContact CG1-CD2 4.07Å; V163-L201 HydrophobicContact CG2-CD2 3.51Å; I196-L201 HydrophobicContact CD1-CB 4.03Å; I196-L201 HydrophobicContact CG1-CB 4.32Å; I196-L201 HydrophobicContact CG2-CB 4.03Å; I196-L201 HydrophobicContact CG2-CD2 4.39Å; H197-L201 PolarHBondContact O-N 2.98Å; V198-L201 PolarHBondContact O-N 2.85Å; L201-G203 VanDerWaalsContact C-N 3.28Å; L201-G203 PolarHBondContact O-N 3.15Å; L201-I204 PolarHBondContact O-N 3.48Å; L201-I205 HydrophobicContact CD1-CD1 4.27Å; L201-I205 HydrophobicContact CD1-CG1 4.48Å; L201-I205 HydrophobicContact CG-CD1 4.01Å; L201-I205 WeakPolarHBondContact O-CD1 3.31Å; L201-I205 VanDerWaalsContact O-CG1 3.23Å; L201-I205 WeakPolarHBondContact O-CG1 3.46Å; L201-I205 PolarHBondContact O-N 2.87Å
202A98.3Very high95.9Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-61-37.7174.400000112.2E15 L16 L19 V198 D200 A206E15-A202 HydrophobicContact CB-CB 4.48Å; E15-A202 HydrophobicContact CG-CB 3.88Å; L16-A202 HydrophobicContact CB-CB 4.3Å; L16-A202 HydrophobicContact CD1-CB 4.45Å; L19-A202 HydrophobicContact CD2-CB 4.02Å; L19-A202 WeakPolarHBondContact CD2-O 3.48Å; V198-A202 WeakPolarHBondContact O-CB 3.48Å; V198-A202 PolarHBondContact O-N 3.12Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.02Å; A202-A206 VanDerWaalsContact O-CB 3.28Å; A202-A206 WeakPolarHBondContact O-CB 3.42Å; A202-A206 PolarHBondContact O-N 2.9Å
203G98.4Very high94.6Very high13 Ų1325.2 Ų25.213%0.13415%0.151CC..Hα-helixtrans-65.6-43.8175.900000113.2S199 D200 L201 A206 R207 Y287S199-G203 PolarHBondContact O-N 3.26Å; D200-G203 CarbonylContact O-C 3.55Å; D200-G203 WeakPolarHBondContact O-CA 3.26Å; D200-G203 PolarHBondContact O-N 3.09Å; L201-G203 VanDerWaalsContact C-N 3.28Å; L201-G203 PolarHBondContact O-N 3.15Å; G203-A206 PolarHBondContact O-N 3.41Å; G203-R207 PolarHBondContact O-N 3.11Å; G203-Y287 VanDerWaalsContact C-CE2 3.41Å
204I98.6Very high93.1Very high5 Ų528.8 Ų28.83%0.02617%0.172CC..Hα-helixtrans-60.1-50.1174.8-64.1165.6000109.1I158 I196 D200 L201 A206 R207 S208 T282 Y287 F289I158-I204 HydrophobicContact CD1-CG2 3.82Å; I158-I204 HydrophobicContact CG1-CG2 4.25Å; I158-I204 HydrophobicContact CG2-CG2 4.43Å; I196-I204 HydrophobicContact CD1-CD1 3.61Å; D200-I204 WeakPolarHBondContact O-CG1 3.17Å; D200-I204 PolarHBondContact O-N 3.23Å; L201-I204 PolarHBondContact O-N 3.48Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.21Å; I204-R207 PolarHBondContact O-N 3Å; I204-S208 PolarHBondContact O-N 3.44Å; I204-S208 PolarHBondContact O-OG 3.26Å; I204-T282 HydrophobicContact CD1-CG2 3.7Å; I204-T282 HydrophobicContact CG1-CG2 4.03Å; I204-T282 HydrophobicContact CG2-CG2 4.42Å; I204-Y287 HydrophobicContact CD1-CD1 4.3Å; I204-Y287 HydrophobicContact CD1-CE1 4.16Å; I204-Y287 HydrophobicContact CG1-CD1 3.68Å; I204-Y287 HydrophobicContact CG1-CD2 4.1Å; I204-Y287 HydrophobicContact CG1-CE1 3.56Å; I204-Y287 HydrophobicContact CG1-CE2 4.02Å; I204-Y287 HydrophobicContact CG1-CG 3.95Å; I204-F289 HydrophobicContact CD1-CE1 4.22Å; I204-F289 HydrophobicContact CD1-CZ 4.3Å
205I98.6Very high91.4Very high0 Ų035.5 Ų35.50%021%0.213CC..Hα-helixtrans-57.8-46.7177.5-63.6158.9000111.1V12 L16 V56 L58 V104 V106 I158 L201 R207 S208 L209V12-I205 HydrophobicContact CG1-CD1 3.99Å; L16-I205 HydrophobicContact CD1-CB 4.11Å; L16-I205 HydrophobicContact CD1-CG2 3.88Å; L16-I205 HydrophobicContact CD2-CB 4.35Å; L16-I205 HydrophobicContact CD2-CD1 4.39Å; L16-I205 HydrophobicContact CD2-CG2 3.54Å; L16-I205 HydrophobicContact CG-CG2 4.37Å; V56-I205 HydrophobicContact CB-CG2 4.45Å; V56-I205 HydrophobicContact CG2-CG2 3.89Å; L58-I205 HydrophobicContact CD2-CD1 4.05Å; V104-I205 HydrophobicContact CG1-CG2 4.4Å; V106-I205 HydrophobicContact CG2-CD1 3.81Å; V106-I205 HydrophobicContact CG2-CG1 3.95Å; I158-I205 HydrophobicContact CD1-CB 4.25Å; I158-I205 HydrophobicContact CD1-CG1 3.56Å; L201-I205 HydrophobicContact CD1-CD1 4.27Å; L201-I205 HydrophobicContact CD1-CG1 4.48Å; L201-I205 HydrophobicContact CG-CD1 4.01Å; L201-I205 WeakPolarHBondContact O-CD1 3.31Å; L201-I205 VanDerWaalsContact O-CG1 3.23Å; L201-I205 WeakPolarHBondContact O-CG1 3.46Å; L201-I205 PolarHBondContact O-N 2.87Å; I205-R207 VanDerWaalsContact C-N 3.33Å; I205-R207 PolarHBondContact O-N 3.35Å; I205-S208 WeakPolarHBondContact O-CB 3.35Å; I205-S208 PolarHBondContact O-N 3.24Å; I205-S208 VanDerWaalsContact O-N 3.16Å; I205-L209 HydrophobicContact CG2-CD1 4.06Å; I205-L209 HydrophobicContact CG2-CG 4.47Å; I205-L209 WeakPolarHBondContact O-CG 3.47Å; I205-L209 PolarHBondContact O-N 3.14Å
206A98.1Very high89.8Confident3 Ų342.3 Ų42.33%0.02525%0.245CC..Hα-helixtrans-61.5-40.6-179.700000112.1L16 L19 L20 A202 G203 I204 L209 E210L16-A206 HydrophobicContact CD1-CB 4.3Å; L19-A206 HydrophobicContact CD2-CB 3.84Å; L20-A206 HydrophobicContact CD2-CB 4.06Å; A202-A206 VanDerWaalsContact O-CB 3.28Å; A202-A206 WeakPolarHBondContact O-CB 3.42Å; A202-A206 PolarHBondContact O-N 2.9Å; G203-A206 PolarHBondContact O-N 3.41Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.21Å; A206-L209 PolarHBondContact O-N 2.9Å; A206-E210 PolarHBondContact O-N 3.48Å
207R96.6Very high88.3Confident103 Ų10346 Ų4639%0.38928%0.275SS..Hα-helixtrans-66.1-40.9173.6-174.5179.8-178.383.3-4.8111.4G203 I204 I205 L209 E210 S285G203-R207 PolarHBondContact O-N 3.11Å; I204-R207 PolarHBondContact O-N 3Å; I205-R207 VanDerWaalsContact C-N 3.33Å; I205-R207 PolarHBondContact O-N 3.35Å; R207-L209 PolarHBondContact O-N 2.98Å; R207-E210 WeakPolarHBondContact O-CB 3.37Å; R207-E210 PolarHBondContact O-N 2.92Å; R207-E210 VanDerWaalsContact O-N 3.09Å; R207-S285 PolarHBondContact NE-O 2.88Å; R207-S285 PolarHBondContact NH2-O 2.99Å
208S96.9Very high87.4Confident7 Ų747.2 Ų47.25%0.04928%0.283CS..Hα-helixtrans-63-27.1176-600000112.9K154 I204 I205K154-S208 WeakPolarHBondContact CE-O 3.44Å; K154-S208 PolarHBondContact NZ-O 3.25Å; I204-S208 PolarHBondContact O-N 3.44Å; I204-S208 PolarHBondContact O-OG 3.26Å; I205-S208 WeakPolarHBondContact O-CB 3.35Å; I205-S208 PolarHBondContact O-N 3.24Å; I205-S208 VanDerWaalsContact O-N 3.16Å
209L96.9Very high86.4Confident1 Ų151.3 Ų51.31%0.00531%0.305CS..THydrogen-bonded Turntrans-78.1-15.6175-72.6166.7000113.9V3 L20 H101 V104 I205 A206 R207V3-L209 HydrophobicContact CG1-CD1 3.76Å; V3-L209 HydrophobicContact CG1-CD2 4.32Å; V3-L209 HydrophobicContact CG2-CD1 4.49Å; L20-L209 HydrophobicContact CD1-CD1 4.29Å; L20-L209 HydrophobicContact CD2-CD1 4.35Å; H101-L209 PolarHBondContact CE1-O 3.42Å; V104-L209 HydrophobicContact CG2-CD2 3.86Å; V104-L209 HydrophobicContact CG2-CG 4.08Å; I205-L209 HydrophobicContact CG2-CD1 4.06Å; I205-L209 HydrophobicContact CG2-CG 4.47Å; I205-L209 WeakPolarHBondContact O-CG 3.47Å; I205-L209 PolarHBondContact O-N 3.14Å; A206-L209 PolarHBondContact O-N 2.9Å; R207-L209 PolarHBondContact O-N 2.98Å
210E92.9Very high85.5Confident73 Ų7354.1 Ų54.134%0.34132%0.323SS..SBendtrans-65.6147.5178.2-70.1168.9-175.600110.7K23 K154 A206 R207K23-E210 IonicContact NZ-OE1 2.83Å; K154-E210 PolarHBondContact NZ-O 3.08Å; A206-E210 PolarHBondContact O-N 3.48Å; R207-E210 WeakPolarHBondContact O-CB 3.37Å; R207-E210 PolarHBondContact O-N 2.92Å; R207-E210 VanDerWaalsContact O-N 3.09Å
211P86.5Confident84.9Confident74 Ų7457.6 Ų57.648%0.48135%0.347SS..PPolyproline II helixtrans-58.7154.3178.525.7-34.6000111.1A213P211-A213 PolarHBondContact O-N 2.83Å
212P76.3Confident84.6Confident54 Ų5459 Ų5935%0.35136%0.357SS..PPolyproline II helixtrans-53.3136.9175.8-21.831.9000111.4K154 N214K154-P212 HydrophobicContact CB-CG 4.43Å; K154-P212 HydrophobicContact CD-CG 4.49Å; P212-N214 VanDerWaalsContact C-N 3.26Å; P212-N214 PolarHBondContact O-N 3.15Å
213A69.4Low84.5Confident105 Ų10562.8 Ų62.887%0.86837%0.374SS*.SBendtrans-69.2-24.8-179.300000113.2P211P211-A213 PolarHBondContact O-N 2.83Å
214N65.8Low84.4Confident111 Ų11163.4 Ų63.459%0.59438%0.375SS*.SBendtrans-110.3153.2179.9-64.4-10.3000110.4P212 E216P212-N214 VanDerWaalsContact C-N 3.26Å; P212-N214 PolarHBondContact O-N 3.15Å; N214-E216 HydrophobicContact CB-CB 4.4Å; N214-E216 HydrophobicContact CB-CG 4.48Å; N214-E216 PolarHBondContact O-N 3.16Å
215T60.4Low84.4Confident160 Ų16064.8 Ų64.898%0.98238%0.38SS*.SBendtrans-73.12.8171.748.80000113.6
216E63.9Low84.4Confident146 Ų14664.8 Ų64.868%0.68238%0.38SS*.SBendtrans-71.6143.9176.6-68.6-179168.400110.7N214N214-E216 HydrophobicContact CB-CB 4.4Å; N214-E216 HydrophobicContact CB-CG 4.48Å; N214-E216 PolarHBondContact O-N 3.16Å
217A67.6Low84.4Confident78 Ų7864.7 Ų64.765%0.64538%0.379SS*.PPolyproline II helixtrans-57.9139.3177.300000110.2
218P77.9Confident84.5Confident26 Ų2659.8 Ų59.817%0.16936%0.361CS..PPolyproline II helixtrans-53.3146.3173.8-22.330.6000112.3K151 K154K151-P218 VanDerWaalsContact O-CD 3.29Å; K151-P218 WeakPolarHBondContact O-CD 3.42Å; K154-P218 HydrophobicContact CB-CB 4.45Å
219N76.2Confident84.6Confident97 Ų9759.7 Ų59.752%0.51936%0.36SS..PPolyproline II helixtrans-63.7133.9173-169.4-36.9000109.3S221N219-S221 PolarHBondContact O-N 3.36Å; N219-S221 PolarHBondContact OD1-N 2.9Å
220P79.4Confident84.6Confident78 Ų7861.8 Ų61.851%0.50637%0.374SS..SBendtrans-59-29.5175.522.4-34.1000112.9Q155Q155-P220 PolarHBondContact NE2-O 3.23Å; Q155-P220 VanDerWaalsContact NE2-O 3.15Å
221S86.4Confident84.6Confident75 Ų7559.9 Ų59.952%0.52437%0.371SS..SBendtrans-85.6140176.6-64.10000111.7N219N219-S221 PolarHBondContact O-N 3.36Å; N219-S221 PolarHBondContact OD1-N 2.9Å
222P91.6Very high84.9Confident31 Ų3159.9 Ų59.920%0.20137%0.366CS..PPolyproline II helixtrans-62.4141.8176.7-21.732.8000113F144 Q155 V157F144-P222 HydrophobicContact CD1-CG 3.68Å; F144-P222 HydrophobicContact CE1-CG 3.57Å; F144-P222 HydrophobicContact CZ-CG 4.37Å; Q155-P222 HydrophobicContact CB-CB 3.99Å; Q155-P222 HydrophobicContact CB-CG 4.13Å; Q155-P222 WeakPolarHBondContact O-CA 3.08Å; V157-P222 HydrophobicContact CG2-CB 4.07Å
223Q95.3Very high85.9Confident79 Ų7957.7 Ų57.737%0.36935%0.352SS..EExtended strand (participates in β ladder)trans-76.3128.1166.8-64.1178.12.900108.9Q155 V156 V157 Y225Q155-Q223 PolarHBondContact O-N 3.48Å; V156-Q223 CarbonylContact C-O 3.58Å; V156-Q223 VanDerWaalsContact CA-O 3.29Å; V156-Q223 WeakPolarHBondContact CA-O 3.13Å; V156-Q223 HydrophobicContact CG2-CB 4.45Å; V157-Q223 PolarHBondContact N-O 2.91Å; Q223-Y225 HydrophobicContact CB-CE2 4.34Å; Q223-Y225 PolarHBondContact OE1-OH 3.16Å
224V97.8Very high87.2Confident25 Ų2554.4 Ų54.415%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-105.5134.5179.7-177.20000109.4E122 V157E122-V224 HydrophobicContact CB-CB 4.39Å; E122-V224 HydrophobicContact CB-CG1 4.2Å; E122-V224 HydrophobicContact CG-CG1 4.26Å; E122-V224 WeakPolarHBondContact CG-O 3.35Å; V157-V224 HydrophobicContact CB-CG2 4.48Å; V157-V224 CarbonylContact O-C 3.58Å; V157-V224 WeakPolarHBondContact O-CA 3.31Å
225Y98.6Very high88.6Confident35 Ų3549.5 Ų49.514%0.13730%0.295CS..EExtended strand (participates in β ladder)trans-128.3134.9174.6-66.6-56.2000110.4V156 V157 I158 R159 Q223 G227 K281 T282V156-Y225 HydrophobicContact CG1-CD2 3.5Å; V156-Y225 HydrophobicContact CG1-CE2 3.74Å; V157-Y225 PolarHBondContact O-N 3.1Å; I158-Y225 CarbonylContact C-O 3.5Å; I158-Y225 VanDerWaalsContact CA-O 3.29Å; I158-Y225 WeakPolarHBondContact CA-O 3.27Å; R159-Y225 PolarHBondContact N-O 2.6Å; Q223-Y225 HydrophobicContact CB-CE2 4.34Å; Q223-Y225 PolarHBondContact OE1-OH 3.16Å; Y225-G227 PolarHBondContact O-N 3.49Å; Y225-K281 HydrophobicContact CD1-CB 3.94Å; Y225-K281 HydrophobicContact CE1-CB 4.06Å; Y225-K281 WeakPolarHBondContact CE1-O 3.3Å; Y225-T282 WeakPolarHBondContact CB-OG1 3.48Å
226N98.7Very high90.3Very high0 Ų046 Ų460%027%0.267CS..EExtended strand (participates in β ladder)trans-83.2110.3167.6-77.1-29000109.4Y112 E122 V228 V277 I278 P279 T282Y112-N226 WeakPolarHBondContact CE2-OD1 3.42Å; Y112-N226 PolarHBondContact OH-ND2 2.9Å; Y112-N226 PolarHBondContact OH-OD1 3.42Å; Y112-N226 VanDerWaalsContact OH-OD1 3.05Å; E122-N226 HydrophobicContact CG-CB 4.09Å; E122-N226 VanDerWaalsContact CG-N 3.33Å; E122-N226 PolarHBondContact N-ND2 3.5Å; E122-N226 PolarHBondContact OE1-N 2.86Å; N226-V228 HydrophobicContact CB-CG2 4.21Å; N226-V228 PolarHBondContact O-N 2.9Å; N226-V277 HydrophobicContact CB-CG1 3.78Å; N226-V277 VanDerWaalsContact CG-CG1 3.41Å; N226-V277 VanDerWaalsContact ND2-CG1 3.3Å; N226-V277 WeakPolarHBondContact ND2-CG1 3.38Å; N226-I278 PolarHBondContact ND2-O 3.43Å; N226-P279 HydrophobicContact CB-CB 4.44Å; N226-P279 WeakPolarHBondContact O-CB 3.32Å; N226-T282 PolarHBondContact N-OG1 2.85Å; N226-T282 PolarHBondContact O-OG1 3.28Å
227G98.3Very high91.9Very high0 Ų043.7 Ų43.70%026%0.256CS..EExtended strand (participates in β ladder)trans-79.263.7175.100000111.5R159 G161 I196 Y225R159-G227 PolarHBondContact O-N 2.91Å; G161-G227 PolarHBondContact N-O 3.43Å; G161-G227 VanDerWaalsContact N-O 3.07Å; I196-G227 WeakPolarHBondContact CB-O 3.42Å; I196-G227 VanDerWaalsContact CD1-C 3.48Å; I196-G227 VanDerWaalsContact CG2-O 3.3Å; I196-G227 WeakPolarHBondContact CG2-O 3.34Å; Y225-G227 PolarHBondContact O-N 3.49Å
228V98.3Very high93.3Very high1 Ų140.1 Ų40.11%0.00623%0.226CC..SBendtrans-128.6150.2176.2-59.70000110.1V109 P194 W195 N226 V277 P279 F289V109-V228 HydrophobicContact CG1-CG1 3.84Å; P194-V228 HydrophobicContact CB-CG1 3.95Å; W195-V228 CarbonylContact O-C 3.6Å; W195-V228 WeakPolarHBondContact O-CA 3.41Å; N226-V228 HydrophobicContact CB-CG2 4.21Å; N226-V228 PolarHBondContact O-N 2.9Å; V228-V277 HydrophobicContact CG1-CB 4.28Å; V228-V277 HydrophobicContact CG1-CG1 4.2Å; V228-V277 HydrophobicContact CG2-CB 4.17Å; V228-V277 HydrophobicContact CG2-CG1 3.91Å; V228-P279 HydrophobicContact CG2-CB 3.83Å; V228-P279 HydrophobicContact CG2-CG 4.03Å; V228-P279 WeakPolarHBondContact O-CB 3.31Å; V228-P279 WeakPolarHBondContact O-CG 3.36Å; V228-F289 VanDerWaalsContact O-CE1 3.31Å; V228-F289 WeakPolarHBondContact O-CE1 3.49Å; V228-F289 VanDerWaalsContact O-CZ 3.32Å; V228-F289 WeakPolarHBondContact O-CZ 3.36Å
229A97.7Very high94.1Very high4 Ų439 Ų393%0.03322%0.218CC..  trans-65.2149.4170.100000110.1W195 A231W195-A229 HydrophobicContact CD2-CB 4.07Å; W195-A229 HydrophobicContact CE3-CB 4.04Å; W195-A229 HydrophobicContact CH2-CB 3.66Å; W195-A229 HydrophobicContact CZ2-CB 3.69Å; W195-A229 HydrophobicContact CZ3-CB 3.85Å; W195-A229 PolarHBondContact O-N 3.37Å; A229-A231 VanDerWaalsContact C-N 3.26Å; A229-A231 PolarHBondContact O-N 3.25Å
230P96.8Very high95.1Very high46 Ų4638.2 Ų38.230%0.29921%0.211SC..SBendtrans-69-22.8-179.527.6-35.4000113.4I232 P279 L283 F289 P292P230-I232 PolarHBondContact O-N 3.44Å; P230-P279 HydrophobicContact CB-CG 4.29Å; P230-L283 HydrophobicContact CB-CD1 4.44Å; P230-F289 HydrophobicContact CG-CD2 4.42Å; P230-P292 HydrophobicContact CG-CB 3.72Å
231A93.4Very high95.9Very high33 Ų3335.9 Ų35.927%0.27319%0.193SC..SBendtrans-71110.8176.600000111.3W195 A229 T233 P292W195-A231 HydrophobicContact CZ2-CB 4.45Å; A229-A231 VanDerWaalsContact C-N 3.26Å; A229-A231 PolarHBondContact O-N 3.25Å; A231-T233 PolarHBondContact O-N 3.01Å; A231-T233 PolarHBondContact O-OG1 3.33Å; A231-P292 WeakPolarHBondContact CB-O 3.49Å
232I94.3Very high96.4Very high73 Ų7332.3 Ų32.337%0.37417%0.168SC..  trans-69.3120.2170.7-53.9-54.9000108.5P230 K276 V277 I278P230-I232 PolarHBondContact O-N 3.44Å; I232-K276 HydrophobicContact CD1-CG 4.04Å; I232-K276 HydrophobicContact CG1-CG 4.33Å; I232-K276 HydrophobicContact CG2-CD 3.89Å; I232-K276 HydrophobicContact CG2-CG 3.77Å; I232-V277 WeakPolarHBondContact CD1-O 3.4Å; I232-I278 HydrophobicContact CD1-CG1 4.37Å
233T95.4Very high96.5Very high9 Ų930.9 Ų30.96%0.05516%0.159CC..  trans-128.6143.3-174.2-58.80000109.1P192 F193 W195 A231 E237 F238 L294P192-T233 CarbonylContact C-O 3.59Å; F193-T233 PolarHBondContact N-O 3.27Å; W195-T233 PolarHBondContact NE1-OG1 2.76Å; A231-T233 PolarHBondContact O-N 3.01Å; A231-T233 PolarHBondContact O-OG1 3.33Å; T233-E237 HydrophobicContact CG2-CB 4.05Å; T233-F238 HydrophobicContact CG2-CB 4.08Å; T233-L294 HydrophobicContact CG2-CD2 3.53Å
234T96.9Very high96.6Very high36 Ų3633.6 Ų33.622%0.22117%0.166CC..BIsolated β-bridgetrans-96.9161.4169.860.10000111.3Q191 H236 E237 F238Q191-T234 CarbonylContact O-C 3.58Å; Q191-T234 VanDerWaalsContact O-CA 3.32Å; Q191-T234 WeakPolarHBondContact O-CA 3.46Å; T234-H236 PolarHBondContact O-N 3.23Å; T234-E237 WeakPolarHBondContact CB-OE2 3.47Å; T234-E237 PolarHBondContact N-OE2 2.96Å; T234-E237 PolarHBondContact O-N 3.02Å; T234-E237 VanDerWaalsContact OG1-CD 3.29Å; T234-E237 VanDerWaalsContact OG1-CG 3.31Å; T234-E237 WeakPolarHBondContact OG1-CG 3.49Å; T234-E237 PolarHBondContact OG1-N 2.9Å; T234-E237 PolarHBondContact OG1-OE2 2.9Å; T234-F238 PolarHBondContact O-N 3.22Å
235N96.2Very high96.4Very high7 Ų733.3 Ų33.34%0.03716%0.163CC..Hα-helixtrans-57.4-34.9173.3176.9-86.6000112.3T185 L186 G189 Q191 T239T185-N235 WeakPolarHBondContact CA-OD1 3.48Å; L186-N235 PolarHBondContact N-OD1 3.26Å; G189-N235 PolarHBondContact O-N 2.93Å; Q191-N235 HydrophobicContact CG-CB 4.11Å; Q191-N235 PolarHBondContact O-N 3.03Å; N235-T239 VanDerWaalsContact O-CB 3.3Å; N235-T239 WeakPolarHBondContact O-CB 3.33Å; N235-T239 PolarHBondContact O-N 2.98Å; N235-T239 PolarHBondContact O-OG1 3.08Å
236H96.3Very high96.2Very high86 Ų8633.1 Ų33.140%0.39816%0.164SC..Hα-helixtrans-60.7-53.7175.3-175.394.3000111.5T185 G189 T234 F238 T239 K240T185-H236 HydrophobicContact CG2-CB 4.4Å; G189-H236 WeakPolarHBondContact O-CB 3.45Å; G189-H236 PolarHBondContact O-N 3.27Å; T234-H236 PolarHBondContact O-N 3.23Å; H236-F238 VanDerWaalsContact C-N 3.34Å; H236-F238 PolarHBondContact O-N 2.92Å; H236-T239 PolarHBondContact O-N 3.45Å; H236-K240 WeakPolarHBondContact O-CG 3.21Å; H236-K240 PolarHBondContact O-N 3.19Å
237E96.8Very high96.1Very high99 Ų9943.5 Ų43.546%0.46320%0.204SC..Hα-helixtrans-60-45179.6-71.6161.4147.700111.3T233 T234 T239 K240 E241T233-E237 HydrophobicContact CG2-CB 4.05Å; T234-E237 WeakPolarHBondContact CB-OE2 3.47Å; T234-E237 PolarHBondContact N-OE2 2.96Å; T234-E237 PolarHBondContact O-N 3.02Å; T234-E237 VanDerWaalsContact OG1-CD 3.29Å; T234-E237 VanDerWaalsContact OG1-CG 3.31Å; T234-E237 WeakPolarHBondContact OG1-CG 3.49Å; T234-E237 PolarHBondContact OG1-N 2.9Å; T234-E237 PolarHBondContact OG1-OE2 2.9Å; E237-T239 PolarHBondContact O-N 3.47Å; E237-K240 PolarHBondContact O-N 3.01Å; E237-E241 VanDerWaalsContact O-CB 3.27Å; E237-E241 WeakPolarHBondContact O-CB 3.26Å; E237-E241 PolarHBondContact O-N 2.9Å
238F96.6Very high95.9Very high3 Ų348 Ų481%0.01322%0.221CC..Hα-helixtrans-56.1-49.7174.3175.8-90.3000112.4L164 M171 M174 F193 T233 T234 H236 E241 L242 L294 L298L164-F238 HydrophobicContact CD1-CE2 3.86Å; L164-F238 HydrophobicContact CD2-CE2 4.39Å; M171-F238 HydrophobicContact SD-CE2 4.44Å; M171-F238 HydrophobicContact SD-CZ 3.93Å; M174-F238 HydrophobicContact CE-CE1 3.88Å; M174-F238 HydrophobicContact CE-CZ 3.56Å; M174-F238 HydrophobicContact SD-CE1 3.84Å; M174-F238 HydrophobicContact SD-CZ 4.16Å; F193-F238 HydrophobicContact CD1-CB 4.08Å; F193-F238 AromaticContact CD1-CD2 3.85Å; F193-F238 HydrophobicContact CD1-CD2 3.85Å; F193-F238 AromaticContact CD1-CG 3.96Å; F193-F238 HydrophobicContact CD1-CG 3.96Å; F193-F238 HydrophobicContact CE1-CB 4.49Å; F193-F238 HydrophobicContact CE1-CD1 4.41Å; F193-F238 AromaticContact CE1-CD2 3.5Å; F193-F238 HydrophobicContact CE1-CD2 3.5Å; F193-F238 AromaticContact CE1-CE2 3.77Å; F193-F238 HydrophobicContact CE1-CE2 3.77Å; F193-F238 AromaticContact CE1-CG 3.88Å; F193-F238 HydrophobicContact CE1-CG 3.88Å; F193-F238 HydrophobicContact CE1-CZ 4.35Å; F193-F238 HydrophobicContact CZ-CD2 4.48Å; F193-F238 HydrophobicContact CZ-CE2 4.47Å; T233-F238 HydrophobicContact CG2-CB 4.08Å; T234-F238 PolarHBondContact O-N 3.22Å; H236-F238 VanDerWaalsContact C-N 3.34Å; H236-F238 PolarHBondContact O-N 2.92Å; F238-E241 PolarHBondContact O-N 3.05Å; F238-L242 HydrophobicContact CE1-CD2 4Å; F238-L242 HydrophobicContact CZ-CD2 4.03Å; F238-L242 WeakPolarHBondContact O-CB 3.38Å; F238-L242 PolarHBondContact O-N 3.02Å; F238-L294 HydrophobicContact CB-CD2 4.29Å; F238-L294 HydrophobicContact CD2-CD1 3.85Å; F238-L294 HydrophobicContact CD2-CD2 4.36Å; F238-L294 HydrophobicContact CE2-CD1 4.34Å; F238-L298 HydrophobicContact CE2-CD1 4.49Å; F238-L298 HydrophobicContact CE2-CD2 3.96Å; F238-L298 HydrophobicContact CZ-CD2 4.47Å
239T95.9Very high95.7Very high1 Ų151.3 Ų51.31%0.00624%0.242CC..Hα-helixtrans-61.8-48.1-179.1-620000110.8F178 G184 T185 N235 H236 E237 E241 G243 T250F178-T239 HydrophobicContact CE1-CG2 3.94Å; F178-T239 HydrophobicContact CZ-CG2 3.88Å; G184-T239 VanDerWaalsContact C-CG2 3.45Å; T185-T239 HydrophobicContact CG2-CG2 3.83Å; N235-T239 VanDerWaalsContact O-CB 3.3Å; N235-T239 WeakPolarHBondContact O-CB 3.33Å; N235-T239 PolarHBondContact O-N 2.98Å; N235-T239 PolarHBondContact O-OG1 3.08Å; H236-T239 PolarHBondContact O-N 3.45Å; E237-T239 PolarHBondContact O-N 3.47Å; T239-E241 PolarHBondContact O-N 3.06Å; T239-G243 PolarHBondContact O-N 3.39Å; T239-T250 HydrophobicContact CG2-CG2 3.98Å
240K96.6Very high95.4Very high82 Ų8251.8 Ų51.836%0.35725%0.245SC..Hα-helixtrans-63.6-42.8-179.1-68.6-55.5-177.5-172.80111.5H236 E237 G243 R244 T250H236-K240 WeakPolarHBondContact O-CG 3.21Å; H236-K240 PolarHBondContact O-N 3.19Å; E237-K240 PolarHBondContact O-N 3.01Å; K240-G243 PolarHBondContact O-N 2.8Å; K240-R244 VanDerWaalsContact O-CB 3.31Å; K240-R244 WeakPolarHBondContact O-CB 3.31Å; K240-R244 PolarHBondContact O-N 3.2Å; K240-T250 WeakPolarHBondContact CD-OG1 3.46Å; K240-T250 PolarHBondContact NZ-O 3.05Å
241E96.6Very high95Very high29 Ų2955.9 Ų55.914%0.13626%0.262CS..Hα-helixtrans-68.3-42.6-178.7-171.852.7-148.900112.2E237 F238 T239 G243 R244 I245 L294 T295 L298E237-E241 VanDerWaalsContact O-CB 3.27Å; E237-E241 WeakPolarHBondContact O-CB 3.26Å; E237-E241 PolarHBondContact O-N 2.9Å; F238-E241 PolarHBondContact O-N 3.05Å; T239-E241 PolarHBondContact O-N 3.06Å; E241-G243 PolarHBondContact O-N 2.9Å; E241-R244 WeakPolarHBondContact O-CB 3.48Å; E241-R244 PolarHBondContact O-N 2.8Å; E241-R244 IonicContact OE1-CZ 3.95Å; E241-R244 VanDerWaalsContact OE1-CZ 3.24Å; E241-R244 IonicContact OE1-NE 3.78Å; E241-R244 PolarHBondContact OE1-NE 3.05Å; E241-R244 VanDerWaalsContact OE1-NE 3.15Å; E241-R244 IonicContact OE1-NH2 2.8Å; E241-R244 PolarHBondContact OE1-NH2 3.17Å; E241-R244 IonicContact OE2-CZ 2.94Å; E241-R244 IonicContact OE2-NE 3.94Å; E241-R244 PolarHBondContact OE2-NE 3.49Å; E241-R244 IonicContact OE2-NH2 3.21Å; E241-I245 HydrophobicContact CG-CD1 4.09Å; E241-I245 WeakPolarHBondContact O-CB 3.27Å; E241-I245 WeakPolarHBondContact O-CG1 3.45Å; E241-I245 PolarHBondContact O-N 3.41Å; E241-I245 WeakPolarHBondContact OE1-CD1 3.35Å; E241-L294 HydrophobicContact CB-CD2 4.15Å; E241-L294 HydrophobicContact CG-CD2 4.37Å; E241-L294 HydrophobicContact CG-CG 4.39Å; E241-T295 VanDerWaalsContact OE1-CG2 3.31Å; E241-T295 WeakPolarHBondContact OE1-CG2 3.29Å; E241-T295 PolarHBondContact OE1-OG1 2.61Å; E241-L298 HydrophobicContact CB-CD1 4.17Å; E241-L298 HydrophobicContact CG-CD1 3.94Å
242L95.6Very high94.6Very high0 Ų059 Ų590%027%0.274CS..Hα-helixtrans-62.6-43.9174.8-178.956.4000112M171 F178 F238 R244 I245 L246 L298 V302M171-L242 HydrophobicContact CE-CD1 3.95Å; M171-L242 HydrophobicContact CE-CD2 4.15Å; F178-L242 HydrophobicContact CB-CD2 4.27Å; F178-L242 HydrophobicContact CB-CG 4.44Å; F178-L242 HydrophobicContact CD1-CB 4.05Å; F178-L242 HydrophobicContact CD1-CD2 3.58Å; F178-L242 HydrophobicContact CD1-CG 3.57Å; F178-L242 HydrophobicContact CD2-CD2 3.91Å; F178-L242 HydrophobicContact CE1-CB 3.94Å; F178-L242 HydrophobicContact CE1-CD2 3.75Å; F178-L242 HydrophobicContact CE1-CG 3.91Å; F178-L242 HydrophobicContact CE2-CD2 4.06Å; F178-L242 HydrophobicContact CG-CD2 3.64Å; F178-L242 HydrophobicContact CG-CG 4.02Å; F178-L242 HydrophobicContact CZ-CD2 3.98Å; F238-L242 HydrophobicContact CE1-CD2 4Å; F238-L242 HydrophobicContact CZ-CD2 4.03Å; F238-L242 WeakPolarHBondContact O-CB 3.38Å; F238-L242 PolarHBondContact O-N 3.02Å; L242-R244 PolarHBondContact O-N 3.37Å; L242-I245 PolarHBondContact O-N 2.87Å; L242-L246 HydrophobicContact CD1-CD1 3.68Å; L242-L246 HydrophobicContact CD1-CG 4.07Å; L242-L246 HydrophobicContact CG-CD1 3.98Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 2.92Å; L242-L298 HydrophobicContact CB-CD1 4.06Å; L242-L298 HydrophobicContact CD1-CD2 4.27Å; L242-V302 HydrophobicContact CD1-CG1 4.27Å
243G95.3Very high94.4Very high1 Ų159.3 Ų59.31%0.0128%0.281CS..Hα-helixtrans-60.5-43.6174.800000112.7T239 K240 E241 L246 R247 R248T239-G243 PolarHBondContact O-N 3.39Å; K240-G243 PolarHBondContact O-N 2.8Å; E241-G243 PolarHBondContact O-N 2.9Å; G243-L246 PolarHBondContact O-N 3.44Å; G243-R247 WeakPolarHBondContact O-CA 3.41Å; G243-R247 PolarHBondContact O-N 3.4Å; G243-R248 CarbonylContact C-O 3.5Å; G243-R248 PolarHBondContact O-N 3.03Å
244R95.9Very high94Very high135 Ų13560.6 Ų60.651%0.50929%0.289SS..Hα-helixtrans-60.4-48.9177.4-171-169.27377.1-3.3111.6K240 E241 L242 R247K240-R244 VanDerWaalsContact O-CB 3.31Å; K240-R244 WeakPolarHBondContact O-CB 3.31Å; K240-R244 PolarHBondContact O-N 3.2Å; E241-R244 WeakPolarHBondContact O-CB 3.48Å; E241-R244 PolarHBondContact O-N 2.8Å; E241-R244 IonicContact OE1-CZ 3.95Å; E241-R244 VanDerWaalsContact OE1-CZ 3.24Å; E241-R244 IonicContact OE1-NE 3.78Å; E241-R244 PolarHBondContact OE1-NE 3.05Å; E241-R244 VanDerWaalsContact OE1-NE 3.15Å; E241-R244 IonicContact OE1-NH2 2.8Å; E241-R244 PolarHBondContact OE1-NH2 3.17Å; E241-R244 IonicContact OE2-CZ 2.94Å; E241-R244 IonicContact OE2-NE 3.94Å; E241-R244 PolarHBondContact OE2-NE 3.49Å; E241-R244 IonicContact OE2-NH2 3.21Å; L242-R244 PolarHBondContact O-N 3.37Å; R244-R247 PolarHBondContact O-N 3.4Å; R244-R247 VanDerWaalsContact O-N 3.16Å
245I95.4Very high93.6Very high19 Ų1961.5 Ų61.510%0.09730%0.295CS..Hα-helixtrans-63.3-43.6-179.9-74.6170.1000111.2E241 L242 R247 T295 L298 K299 V302E241-I245 HydrophobicContact CG-CD1 4.09Å; E241-I245 WeakPolarHBondContact O-CB 3.27Å; E241-I245 WeakPolarHBondContact O-CG1 3.45Å; E241-I245 PolarHBondContact O-N 3.41Å; E241-I245 WeakPolarHBondContact OE1-CD1 3.35Å; L242-I245 PolarHBondContact O-N 2.87Å; I245-R247 PolarHBondContact O-N 3.25Å; I245-T295 HydrophobicContact CD1-CG2 4.46Å; I245-L298 HydrophobicContact CD1-CB 3.37Å; I245-L298 HydrophobicContact CD1-CD1 4.22Å; I245-L298 HydrophobicContact CD1-CG 4.45Å; I245-K299 HydrophobicContact CD1-CG 4.01Å; I245-K299 HydrophobicContact CG1-CG 4.31Å; I245-V302 HydrophobicContact CG2-CB 4.39Å; I245-V302 HydrophobicContact CG2-CG1 4.31Å; I245-V302 HydrophobicContact CG2-CG2 3.3Å
246L94.3Very high93.2Very high31 Ų3165.4 Ų65.416%0.16231%0.313CS..Hα-helixtrans-76-6.9177.7-69.1174000113.7F178 L242 G243 R248 V302F178-L246 HydrophobicContact CB-CD1 3.69Å; L242-L246 HydrophobicContact CD1-CD1 3.68Å; L242-L246 HydrophobicContact CD1-CG 4.07Å; L242-L246 HydrophobicContact CG-CD1 3.98Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 2.92Å; G243-L246 PolarHBondContact O-N 3.44Å; L246-R248 VanDerWaalsContact C-N 3.35Å; L246-R248 HydrophobicContact CB-CB 4.41Å; L246-R248 HydrophobicContact CB-CG 4.15Å; L246-V302 HydrophobicContact CD2-CB 4.08Å; L246-V302 HydrophobicContact CD2-CG1 3.72Å; L246-V302 HydrophobicContact CG-CG1 4.28Å
247R94.9Very high92.7Very high219 Ų21968.7 Ų68.783%0.82633%0.326SS*.THydrogen-bonded Turntrans53.152.2-171.8-54.4179.9-178.1177.40.2111G243 R244 I245G243-R247 WeakPolarHBondContact O-CA 3.41Å; G243-R247 PolarHBondContact O-N 3.4Å; R244-R247 PolarHBondContact O-N 3.4Å; R244-R247 VanDerWaalsContact O-N 3.16Å; I245-R247 PolarHBondContact O-N 3.25Å
248R95.4Very high92.3Very high95 Ų9566.1 Ų66.136%0.35832%0.318SS..  trans-132.3146-179.1-68.9-63.8-178.4-88.70.4111.5F178 W179 G243 L246F178-R248 VanDerWaalsContact O-CB 3.31Å; F178-R248 WeakPolarHBondContact O-CB 3.47Å; F178-R248 WeakPolarHBondContact O-CG 3.47Å; W179-R248 WeakPolarHBondContact O-CD 3.3Å; W179-R248 PolarHBondContact O-NE 3.01Å; G243-R248 CarbonylContact C-O 3.5Å; G243-R248 PolarHBondContact O-N 3.03Å; L246-R248 VanDerWaalsContact C-N 3.35Å; L246-R248 HydrophobicContact CB-CB 4.41Å; L246-R248 HydrophobicContact CB-CG 4.15Å
249P93.4Very high91.8Very high70 Ų7066.6 Ų66.646%0.45532%0.32SS..  trans-67.1146.3177.929.5-34.8000110.9
250T91.8Very high91.3Very high14 Ų1468.3 Ų68.39%0.08633%0.332CS..  trans-13356.7175.850.70000110.3F178 G183 T239 K240F178-T250 HydrophobicContact CD1-CG2 4.06Å; F178-T250 HydrophobicContact CE1-CG2 3.78Å; G183-T250 WeakPolarHBondContact O-CA 3.43Å; T239-T250 HydrophobicContact CG2-CG2 3.98Å; K240-T250 WeakPolarHBondContact CD-OG1 3.46Å; K240-T250 PolarHBondContact NZ-O 3.05Å
251I87.1Confident90.8Very high131 Ų13168.7 Ų68.767%0.67235%0.35SS*.  trans-100.5-17.7-17161.8176.2000113.3P253I251-P253 WeakPolarHBondContact O-CD 3.42Å
252L85.8Confident90.1Very high100 Ų10074 Ų7452%0.52438%0.377SS..  trans-96.299.6-176.6-62.7177.8000109.5G184G184-L252 WeakPolarHBondContact CA-O 3.41Å
253P89.4Confident89.5Confident78 Ų7875.6 Ų75.651%0.50639%0.385SS..  trans-63.3145.8169.728.8-34.5000109.7T185 I251 P255T185-P253 CarbonylContact O-C 3.58Å; T185-P253 WeakPolarHBondContact O-CA 3.44Å; T185-P253 WeakPolarHBondContact OG1-CB 3.37Å; I251-P253 WeakPolarHBondContact O-CD 3.42Å; P253-P255 WeakPolarHBondContact O-CD 3.37Å
254V88.7Confident88.9Confident37 Ų3776.7 Ų76.722%0.22440%0.396CS..BIsolated β-bridgetrans-96.9109.7173.7-172.10000108.1T185 L186 G187 V258 L259T185-V254 PolarHBondContact O-N 3.27Å; L186-V254 HydrophobicContact CD2-CB 3.85Å; L186-V254 HydrophobicContact CD2-CG2 3.94Å; G187-V254 PolarHBondContact N-O 2.89Å; V254-V258 HydrophobicContact CG1-CB 4.27Å; V254-V258 HydrophobicContact CG1-CG1 4.2Å; V254-L259 HydrophobicContact CG1-CD1 4.49Å; V254-L259 HydrophobicContact CG1-CD2 3.82Å; V254-L259 HydrophobicContact CG1-CG 3.88Å
255P87.8Confident88.3Confident55 Ų5574.1 Ų74.136%0.35740%0.399SS..  trans-64.1149.4179.5-21.934.3000112.3P253 F257 V258 L259P253-P255 WeakPolarHBondContact O-CD 3.37Å; P255-F257 VanDerWaalsContact C-N 3.27Å; P255-F257 HydrophobicContact CB-CD1 3.49Å; P255-F257 VanDerWaalsContact CB-CD1 3.49Å; P255-F257 HydrophobicContact CB-CE1 3.29Å; P255-F257 HydrophobicContact CB-CG 4.42Å; P255-F257 HydrophobicContact CB-CZ 4.09Å; P255-F257 HydrophobicContact CG-CD1 4.44Å; P255-F257 HydrophobicContact CG-CE1 3.76Å; P255-F257 HydrophobicContact CG-CZ 4.22Å; P255-F257 PolarHBondContact O-N 2.87Å; P255-V258 HydrophobicContact CB-CG2 4.27Å; P255-V258 HydrophobicContact CG-CG2 4.26Å; P255-V258 WeakPolarHBondContact O-CB 3.38Å; P255-V258 PolarHBondContact O-N 3.49Å; P255-L259 PolarHBondContact O-N 3.21Å
256E86.9Confident87.7Confident89 Ų8977.1 Ų77.142%0.41641%0.413SS..Hα-helixtrans-59.6-34.7-179.5176.7163.4-139.400113.6V258 L259 S260 T272E256-V258 VanDerWaalsContact C-N 3.27Å; E256-V258 PolarHBondContact O-N 3.37Å; E256-L259 PolarHBondContact O-N 2.82Å; E256-S260 WeakPolarHBondContact O-CB 3.02Å; E256-S260 PolarHBondContact O-N 3.28Å; E256-S260 PolarHBondContact O-OG 2.66Å; E256-T272 HydrophobicContact CB-CG2 4.1Å; E256-T272 HydrophobicContact CG-CG2 3.96Å; E256-T272 PolarHBondContact OE1-OG1 2.81Å
257F87.3Confident87.3Confident154 Ų15476 Ų7668%0.67541%0.406SS*.Hα-helixtrans-64.8-32.5177.275-97000112.1P255 S260 A261P255-F257 VanDerWaalsContact C-N 3.27Å; P255-F257 HydrophobicContact CB-CD1 3.49Å; P255-F257 VanDerWaalsContact CB-CD1 3.49Å; P255-F257 HydrophobicContact CB-CE1 3.29Å; P255-F257 HydrophobicContact CB-CG 4.42Å; P255-F257 HydrophobicContact CB-CZ 4.09Å; P255-F257 HydrophobicContact CG-CD1 4.44Å; P255-F257 HydrophobicContact CG-CE1 3.76Å; P255-F257 HydrophobicContact CG-CZ 4.22Å; P255-F257 PolarHBondContact O-N 2.87Å; F257-S260 PolarHBondContact O-N 2.73Å; F257-A261 WeakPolarHBondContact O-CB 3.44Å; F257-A261 PolarHBondContact O-N 3.05Å
258V87.4Confident86.8Confident46 Ų4665.5 Ų65.528%0.27937%0.367SS..Hα-helixtrans-67.6-45.3175.7177.60000109.7V254 P255 E256 S260 A261 M262V254-V258 HydrophobicContact CG1-CB 4.27Å; V254-V258 HydrophobicContact CG1-CG1 4.2Å; P255-V258 HydrophobicContact CB-CG2 4.27Å; P255-V258 HydrophobicContact CG-CG2 4.26Å; P255-V258 WeakPolarHBondContact O-CB 3.38Å; P255-V258 PolarHBondContact O-N 3.49Å; E256-V258 VanDerWaalsContact C-N 3.27Å; E256-V258 PolarHBondContact O-N 3.37Å; V258-S260 VanDerWaalsContact C-N 3.33Å; V258-S260 PolarHBondContact O-N 2.83Å; V258-A261 PolarHBondContact O-N 3.13Å; V258-M262 HydrophobicContact CG1-SD 3.87Å; V258-M262 VanDerWaalsContact O-CG 3.28Å; V258-M262 WeakPolarHBondContact O-CG 3.45Å; V258-M262 PolarHBondContact O-N 3.06Å
259L85.5Confident86.3Confident13 Ų1363 Ų637%0.06836%0.362CS..Hα-helixtrans-62-42.5176.3-65.2172.3000111.5L186 V254 P255 E256 A261 M262 L263 A268 L271 T272L186-L259 HydrophobicContact CB-CD1 4.11Å; L186-L259 HydrophobicContact CD2-CD1 4.32Å; L186-L259 HydrophobicContact CD2-CD2 4.4Å; V254-L259 HydrophobicContact CG1-CD1 4.49Å; V254-L259 HydrophobicContact CG1-CD2 3.82Å; V254-L259 HydrophobicContact CG1-CG 3.88Å; P255-L259 PolarHBondContact O-N 3.21Å; E256-L259 PolarHBondContact O-N 2.82Å; L259-A261 PolarHBondContact O-N 2.74Å; L259-M262 PolarHBondContact O-N 2.79Å; L259-L263 WeakPolarHBondContact O-CB 3.2Å; L259-L263 PolarHBondContact O-N 3.18Å; L259-A268 HydrophobicContact CB-CB 3.97Å; L259-L271 HydrophobicContact CD2-CD1 4.33Å; L259-T272 HydrophobicContact CD1-CG2 3.52Å
260S85.9Confident85.9Confident37 Ų3762.5 Ų62.526%0.25936%0.355SS..Hα-helixtrans-63.3-41178-62.20000111.9E256 F257 V258 G264E256-S260 WeakPolarHBondContact O-CB 3.02Å; E256-S260 PolarHBondContact O-N 3.28Å; E256-S260 PolarHBondContact O-OG 2.66Å; F257-S260 PolarHBondContact O-N 2.73Å; V258-S260 VanDerWaalsContact C-N 3.33Å; V258-S260 PolarHBondContact O-N 2.83Å; S260-G264 CarbonylContact O-C 3.6Å; S260-G264 WeakPolarHBondContact O-CA 3.47Å; S260-G264 PolarHBondContact O-N 2.57Å
261A85.6Confident85.6Confident89 Ų8963.9 Ų63.974%0.73636%0.362SS*.Hα-helixtrans-67.1-36.517600000112.5F257 V258 L259F257-A261 WeakPolarHBondContact O-CB 3.44Å; F257-A261 PolarHBondContact O-N 3.05Å; V258-A261 PolarHBondContact O-N 3.13Å; L259-A261 PolarHBondContact O-N 2.74Å
262M83Confident85.6Confident140 Ų14058.2 Ų58.269%0.6933%0.333SS*.Hα-helixtrans-78.6-38.1-178.8-70.417668.800113.6V258 L259V258-M262 HydrophobicContact CG1-SD 3.87Å; V258-M262 VanDerWaalsContact O-CG 3.28Å; V258-M262 WeakPolarHBondContact O-CG 3.45Å; V258-M262 PolarHBondContact O-N 3.06Å; L259-M262 PolarHBondContact O-N 2.79Å
263L82.1Confident85.8Confident34 Ų3457.5 Ų57.518%0.17833%0.327CS..Hα-helixtrans-118.7-13-166.5-57.7174.4000113.8L259 R267 L271L259-L263 WeakPolarHBondContact O-CB 3.2Å; L259-L263 PolarHBondContact O-N 3.18Å; L263-R267 HydrophobicContact CB-CB 3.9Å; L263-R267 WeakPolarHBondContact O-CD 3.38Å; L263-L271 HydrophobicContact CD1-CD1 3.41Å; L263-L271 VanDerWaalsContact CD1-CD1 3.41Å
264G84.1Confident85.9Confident24 Ų2454 Ų5425%0.24731%0.305CS..  trans86.9151-16500000111.8S260 E266 R267 A268S260-G264 CarbonylContact O-C 3.6Å; S260-G264 WeakPolarHBondContact O-CA 3.47Å; S260-G264 PolarHBondContact O-N 2.57Å; G264-E266 PolarHBondContact O-N 2.84Å; G264-R267 PolarHBondContact O-N 2.76Å; G264-A268 WeakPolarHBondContact O-CB 3.37Å; G264-A268 PolarHBondContact O-N 3.31Å
265S82.5Confident86.2Confident82 Ų8253.3 Ų53.357%0.57330%0.3SS*.Hα-helixtrans-60-44.9-17549.70000113.3R267 A268 V269S265-R267 VanDerWaalsContact C-N 3.32Å; S265-R267 PolarHBondContact O-N 3.25Å; S265-A268 PolarHBondContact O-N 3.47Å; S265-V269 WeakPolarHBondContact O-CG2 3.33Å; S265-V269 PolarHBondContact O-N 3.26Å; S265-V269 VanDerWaalsContact O-N 3.15Å
266E83.8Confident86.7Confident82 Ų8253.5 Ų53.538%0.38330%0.295SS..Hα-helixtrans-62.2-37.2179.3-70-179.5-178.600112.4W70 K75 G264W70-E266 HydrophobicContact CZ2-CB 4.25Å; W70-E266 PolarHBondContact NE1-OE2 3.28Å; K75-E266 WeakPolarHBondContact CE-OE2 3.33Å; K75-E266 IonicContact NZ-OE1 2.61Å; K75-E266 PolarHBondContact NZ-OE1 3.23Å; K75-E266 IonicContact NZ-OE2 3.38Å; K75-E266 PolarHBondContact NZ-OE2 3.23Å; G264-E266 PolarHBondContact O-N 2.84Å
267R85.4Confident87.2Confident6 Ų649.5 Ų49.52%0.02328%0.276CS..Hα-helixtrans-76-33.9175.5-71.3-168.4-174.3155.40.8112.5V63 N65 R68 W70 Y74 L263 G264 S265 V269 I270V63-R267 PolarHBondContact O-NE 3.38Å; N65-R267 PolarHBondContact O-NH1 2.96Å; N65-R267 VanDerWaalsContact O-NH1 3.15Å; R68-R267 PolarHBondContact O-NH1 2.74Å; R68-R267 VanDerWaalsContact O-NH1 3.09Å; R68-R267 PolarHBondContact O-NH2 3.17Å; W70-R267 HydrophobicContact CD2-CG 3.86Å; W70-R267 HydrophobicContact CE3-CG 3.76Å; W70-R267 VanDerWaalsContact CE3-NH2 3.3Å; W70-R267 HydrophobicContact CG-CG 4.45Å; W70-R267 HydrophobicContact CH2-CG 4.04Å; W70-R267 HydrophobicContact CZ2-CG 4.23Å; W70-R267 HydrophobicContact CZ3-CG 3.79Å; Y74-R267 VanDerWaalsContact CD1-NH2 3.29Å; L263-R267 HydrophobicContact CB-CB 3.9Å; L263-R267 WeakPolarHBondContact O-CD 3.38Å; G264-R267 PolarHBondContact O-N 2.76Å; S265-R267 VanDerWaalsContact C-N 3.32Å; S265-R267 PolarHBondContact O-N 3.25Å; R267-V269 PolarHBondContact O-N 2.81Å; R267-I270 HydrophobicContact CB-CD1 4.41Å; R267-I270 HydrophobicContact CG-CD1 4.46Å; R267-I270 WeakPolarHBondContact O-CB 3.39Å; R267-I270 PolarHBondContact O-N 3.36Å
268A84.4Confident87.7Confident0 Ų044.3 Ų44.30%026%0.255CS..Hα-helixtrans-59.8-39.9177.100000111L259 G264 S265 I270 L271 T272L259-A268 HydrophobicContact CB-CB 3.97Å; G264-A268 WeakPolarHBondContact O-CB 3.37Å; G264-A268 PolarHBondContact O-N 3.31Å; S265-A268 PolarHBondContact O-N 3.47Å; A268-I270 PolarHBondContact O-N 2.89Å; A268-L271 CarbonylContact O-C 3.5Å; A268-L271 WeakPolarHBondContact O-CA 3.43Å; A268-L271 WeakPolarHBondContact O-CB 3.28Å; A268-L271 PolarHBondContact O-N 3.43Å; A268-T272 PolarHBondContact O-N 2.89Å; A268-T272 PolarHBondContact O-OG1 2.99Å; A268-T272 VanDerWaalsContact O-OG1 3.08Å
269V84.3Confident88.2Confident42 Ų4242.2 Ų42.226%0.25524%0.242SC..Hα-helixtrans-55.5-36.7175.6169.40000112.8S265 R267 L271 T272 Q273S265-V269 WeakPolarHBondContact O-CG2 3.33Å; S265-V269 PolarHBondContact O-N 3.26Å; S265-V269 VanDerWaalsContact O-N 3.15Å; R267-V269 PolarHBondContact O-N 2.81Å; V269-L271 PolarHBondContact O-N 3.2Å; V269-T272 WeakPolarHBondContact CA-OG1 3.17Å; V269-T272 PolarHBondContact O-N 3.06Å; V269-Q273 HydrophobicContact CG1-CB 4.36Å; V269-Q273 HydrophobicContact CG1-CG 4.08Å; V269-Q273 WeakPolarHBondContact O-CB 3.44Å; V269-Q273 PolarHBondContact O-N 2.89Å
270I85.4Confident88.8Confident59 Ų5944.7 Ų44.730%0.30326%0.255SS..Hα-helixtrans-61.2-30176.6-52.4167.5000111.5V63 L64 L132 R267 A268V63-I270 HydrophobicContact CG1-CD1 3.72Å; L64-I270 HydrophobicContact CD2-CD1 4.11Å; L132-I270 HydrophobicContact CD1-CD1 3.5Å; L132-I270 VanDerWaalsContact CD1-CD1 3.5Å; L132-I270 HydrophobicContact CD1-CG1 3.58Å; R267-I270 HydrophobicContact CB-CD1 4.41Å; R267-I270 HydrophobicContact CG-CD1 4.46Å; R267-I270 WeakPolarHBondContact O-CB 3.39Å; R267-I270 PolarHBondContact O-N 3.36Å; A268-I270 PolarHBondContact O-N 2.89Å
271L85.1Confident89.4Confident44 Ų4445.9 Ų45.923%0.2326%0.256CS..Hα-helixtrans-97-29.8-177.2-59.8-177.6000112.9L64 L186 Q191 L259 L263 A268 V269L64-L271 HydrophobicContact CD1-CD2 4.04Å; L186-L271 HydrophobicContact CD1-CB 3.94Å; Q191-L271 PolarHBondContact NE2-O 3.34Å; L259-L271 HydrophobicContact CD2-CD1 4.33Å; L263-L271 HydrophobicContact CD1-CD1 3.41Å; L263-L271 VanDerWaalsContact CD1-CD1 3.41Å; A268-L271 CarbonylContact O-C 3.5Å; A268-L271 WeakPolarHBondContact O-CA 3.43Å; A268-L271 WeakPolarHBondContact O-CB 3.28Å; A268-L271 PolarHBondContact O-N 3.43Å; V269-L271 PolarHBondContact O-N 3.2Å
272T86.3Confident90Very high12 Ų1241.6 Ų41.67%0.07422%0.221CC..Hα-helixtrans-94.9-16.4-176.358.90000113.5Q191 E256 L259 A268 V269Q191-T272 WeakPolarHBondContact CG-O 3.43Å; E256-T272 HydrophobicContact CB-CG2 4.1Å; E256-T272 HydrophobicContact CG-CG2 3.96Å; E256-T272 PolarHBondContact OE1-OG1 2.81Å; L259-T272 HydrophobicContact CD1-CG2 3.52Å; A268-T272 PolarHBondContact O-N 2.89Å; A268-T272 PolarHBondContact O-OG1 2.99Å; A268-T272 VanDerWaalsContact O-OG1 3.08Å; V269-T272 WeakPolarHBondContact CA-OG1 3.17Å; V269-T272 PolarHBondContact O-N 3.06Å
273Q91.3Very high90.7Very high84 Ų8438.5 Ų38.539%0.39321%0.207SC..  trans-122.4165.5175-49.9-174.216.100110.4P114 V269P114-Q273 HydrophobicContact CB-CB 3.65Å; P114-Q273 HydrophobicContact CG-CB 4.09Å; V269-Q273 HydrophobicContact CG1-CB 4.36Å; V269-Q273 HydrophobicContact CG1-CG 4.08Å; V269-Q273 WeakPolarHBondContact O-CB 3.44Å; V269-Q273 PolarHBondContact O-N 2.89Å
274G92.2Very high91.4Very high4 Ų443.4 Ų43.44%0.04123%0.228CC..  trans-170.4175.2177.700000113.7P114 S115 P192P114-G274 VanDerWaalsContact CA-O 3.31Å; P114-G274 WeakPolarHBondContact CA-O 3.38Å; S115-G274 PolarHBondContact N-O 2.99Å; S115-G274 VanDerWaalsContact N-O 3.07Å; P192-G274 WeakPolarHBondContact O-CA 3.39Å
275Q94.6Very high91.8Very high24 Ų2443.8 Ų43.811%0.11223%0.227CC..  trans-120.8134.3-172.1-49.2853.400110.2Y112 Y120 P192 V277Y112-Q275 VanDerWaalsContact O-CG 3.22Å; Y112-Q275 WeakPolarHBondContact O-CG 3.42Å; Y112-Q275 PolarHBondContact O-NE2 3.49Å; Y120-Q275 HydrophobicContact CD2-CB 4.09Å; Y120-Q275 HydrophobicContact CE2-CB 4.34Å; P192-Q275 VanDerWaalsContact CB-C 3.49Å; P192-Q275 WeakPolarHBondContact CB-O 3.43Å; Q275-V277 HydrophobicContact CB-CG2 3.73Å; Q275-V277 PolarHBondContact O-N 2.93Å; Q275-V277 VanDerWaalsContact O-N 3.17Å
276K96.9Very high92.5Very high58 Ų5841.9 Ų41.925%0.25222%0.221SC..EExtended strand (participates in β ladder)trans-81.593.6170.3-176169.8171.7-172.10108.7A118 E119 Y120 P192 I232A118-K276 WeakPolarHBondContact O-CB 3.5Å; E119-K276 WeakPolarHBondContact CA-O 3.31Å; E119-K276 HydrophobicContact CG-CD 3.68Å; E119-K276 HydrophobicContact CG-CG 4.04Å; E119-K276 WeakPolarHBondContact OE1-CE 3.49Å; E119-K276 IonicContact OE1-NZ 3.15Å; E119-K276 PolarHBondContact OE1-NZ 2.79Å; Y120-K276 PolarHBondContact N-O 3.09Å; P192-K276 HydrophobicContact CB-CB 4.26Å; P192-K276 HydrophobicContact CG-CB 4.09Å; I232-K276 HydrophobicContact CD1-CG 4.04Å; I232-K276 HydrophobicContact CG1-CG 4.33Å; I232-K276 HydrophobicContact CG2-CD 3.89Å; I232-K276 HydrophobicContact CG2-CG 3.77Å
277V97.9Very high93.1Very high5 Ų539.4 Ų39.43%0.0321%0.209CC..EExtended strand (participates in β ladder)trans-101.5131.5-175.8-173.60000110.1V109 Y112 Y120 P194 N226 V228 I232 Q275V109-V277 HydrophobicContact CB-CG2 4.05Å; V109-V277 HydrophobicContact CG1-CB 4.43Å; V109-V277 HydrophobicContact CG1-CG1 4.08Å; V109-V277 HydrophobicContact CG1-CG2 4.01Å; Y112-V277 HydrophobicContact CD2-CG1 4.39Å; Y112-V277 HydrophobicContact CD2-CG2 3.89Å; Y112-V277 HydrophobicContact CE2-CG1 4.07Å; Y112-V277 HydrophobicContact CE2-CG2 4.39Å; Y120-V277 CarbonylContact O-C 3.52Å; Y120-V277 WeakPolarHBondContact O-CA 3.03Å; P194-V277 HydrophobicContact CB-CB 4.37Å; P194-V277 HydrophobicContact CB-CG2 4.19Å; N226-V277 HydrophobicContact CB-CG1 3.78Å; N226-V277 VanDerWaalsContact CG-CG1 3.41Å; N226-V277 VanDerWaalsContact ND2-CG1 3.3Å; N226-V277 WeakPolarHBondContact ND2-CG1 3.38Å; V228-V277 HydrophobicContact CG1-CB 4.28Å; V228-V277 HydrophobicContact CG1-CG1 4.2Å; V228-V277 HydrophobicContact CG2-CB 4.17Å; V228-V277 HydrophobicContact CG2-CG1 3.91Å; I232-V277 WeakPolarHBondContact CD1-O 3.4Å; Q275-V277 HydrophobicContact CB-CG2 3.73Å; Q275-V277 PolarHBondContact O-N 2.93Å; Q275-V277 VanDerWaalsContact O-N 3.17Å
278I98.3Very high93.6Very high45 Ų4547.5 Ų47.523%0.23125%0.246CC..  trans-109.6127.8-179.7-57.9171.9000108.1E119 Y120 T121 N226 I232 L280E119-I278 HydrophobicContact CB-CD1 4.1Å; E119-I278 HydrophobicContact CG-CD1 4.43Å; E119-I278 WeakPolarHBondContact OE2-CD1 3.33Å; Y120-I278 PolarHBondContact O-N 2.86Å; T121-I278 HydrophobicContact CG2-CB 4.26Å; N226-I278 PolarHBondContact ND2-O 3.43Å; I232-I278 HydrophobicContact CD1-CG1 4.37Å; I278-L280 HydrophobicContact CG2-CB 4.32Å; I278-L280 PolarHBondContact O-N 3.23Å
279P98.2Very high94.3Very high2 Ų248.8 Ų48.81%0.01325%0.252CS..  trans-84.153.9179.436.1-34.9000111.8N226 V228 P230 T282 L283 F289N226-P279 HydrophobicContact CB-CB 4.44Å; N226-P279 WeakPolarHBondContact O-CB 3.32Å; V228-P279 HydrophobicContact CG2-CB 3.83Å; V228-P279 HydrophobicContact CG2-CG 4.03Å; V228-P279 WeakPolarHBondContact O-CB 3.31Å; V228-P279 WeakPolarHBondContact O-CG 3.36Å; P230-P279 HydrophobicContact CB-CG 4.29Å; P279-T282 WeakPolarHBondContact O-CB 3.45Å; P279-T282 PolarHBondContact O-N 3.43Å; P279-L283 HydrophobicContact CG-CD1 4.14Å; P279-L283 HydrophobicContact CG-CG 4.32Å; P279-L283 WeakPolarHBondContact O-CB 3.13Å; P279-L283 VanDerWaalsContact O-CG 3.26Å; P279-L283 WeakPolarHBondContact O-CG 3.42Å; P279-L283 PolarHBondContact O-N 3.37Å; P279-F289 HydrophobicContact CB-CZ 4.33Å; P279-F289 HydrophobicContact CG-CZ 4.4Å
280L98.1Very high94.9Very high65 Ų6553.2 Ų53.234%0.3427%0.268SS..Hα-helixtrans-61.8-58-169.5179.962.3000111.5T121 E122 I278 T282 L283 E284T121-L280 HydrophobicContact CG2-CB 4.26Å; T121-L280 HydrophobicContact CG2-CD2 4.19Å; E122-L280 PolarHBondContact OE1-N 3.28Å; E122-L280 PolarHBondContact OE2-N 2.91Å; E122-L280 VanDerWaalsContact OE2-N 3.13Å; I278-L280 HydrophobicContact CG2-CB 4.32Å; I278-L280 PolarHBondContact O-N 3.23Å; L280-T282 PolarHBondContact O-N 2.9Å; L280-L283 PolarHBondContact O-N 3.23Å; L280-L283 VanDerWaalsContact O-N 3.16Å; L280-E284 HydrophobicContact CD1-CG 4.35Å; L280-E284 WeakPolarHBondContact O-CG 3.48Å; L280-E284 PolarHBondContact O-N 3.15Å
281K98Very high95.5Very high62 Ų6251.5 Ų51.527%0.2726%0.258SS..Hα-helixtrans-65.1-30.5178.9-69.3-169.9173.6169.90112.3E122 D123 Y225 E284 S285E122-K281 HydrophobicContact CB-CB 4.32Å; E122-K281 HydrophobicContact CB-CD 3.81Å; E122-K281 HydrophobicContact CB-CG 4.05Å; E122-K281 VanDerWaalsContact CD-N 3.34Å; E122-K281 HydrophobicContact CG-CB 4.08Å; E122-K281 HydrophobicContact CG-CD 4.44Å; E122-K281 HydrophobicContact CG-CG 4.35Å; E122-K281 PolarHBondContact OE1-N 3.22Å; E122-K281 PolarHBondContact OE2-N 3.3Å; D123-K281 WeakPolarHBondContact OD1-CE 3.44Å; D123-K281 IonicContact OD1-NZ 2.83Å; D123-K281 PolarHBondContact OD1-NZ 3.25Å; D123-K281 WeakPolarHBondContact OD2-CE 3.46Å; D123-K281 IonicContact OD2-NZ 3.24Å; D123-K281 PolarHBondContact OD2-NZ 3.26Å; Y225-K281 HydrophobicContact CD1-CB 3.94Å; Y225-K281 HydrophobicContact CE1-CB 4.06Å; Y225-K281 WeakPolarHBondContact CE1-O 3.3Å; K281-E284 PolarHBondContact O-N 3.2Å; K281-S285 WeakPolarHBondContact O-CB 3.44Å; K281-S285 PolarHBondContact O-N 2.64Å
282T97.9Very high96.1Very high0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-64.2-43.5176.4-50.90000110.7E122 I204 Y225 N226 P279 L280 S285 Y287 F289E122-T282 PolarHBondContact OE1-N 3.04Å; E122-T282 PolarHBondContact OE1-OG1 2.92Å; E122-T282 VanDerWaalsContact OE1-OG1 3.08Å; I204-T282 HydrophobicContact CD1-CG2 3.7Å; I204-T282 HydrophobicContact CG1-CG2 4.03Å; I204-T282 HydrophobicContact CG2-CG2 4.42Å; Y225-T282 WeakPolarHBondContact CB-OG1 3.48Å; N226-T282 PolarHBondContact N-OG1 2.85Å; N226-T282 PolarHBondContact O-OG1 3.28Å; P279-T282 WeakPolarHBondContact O-CB 3.45Å; P279-T282 PolarHBondContact O-N 3.43Å; L280-T282 PolarHBondContact O-N 2.9Å; T282-S285 WeakPolarHBondContact O-CB 3.37Å; T282-S285 PolarHBondContact O-OG 2.97Å; T282-Y287 HydrophobicContact CG2-CD1 4.5Å; T282-Y287 WeakPolarHBondContact O-CB 3.22Å; T282-F289 HydrophobicContact CG2-CE2 4.35Å; T282-F289 HydrophobicContact CG2-CZ 3.99Å
283L97.4Very high96.5Very high75 Ų7554.2 Ų54.239%0.39328%0.275SS..Hα-helixtrans-68.1-45.7174.2-70.1166.7000111.9P230 P279 L280 S285 G286 F289P230-L283 HydrophobicContact CB-CD1 4.44Å; P279-L283 HydrophobicContact CG-CD1 4.14Å; P279-L283 HydrophobicContact CG-CG 4.32Å; P279-L283 WeakPolarHBondContact O-CB 3.13Å; P279-L283 VanDerWaalsContact O-CG 3.26Å; P279-L283 WeakPolarHBondContact O-CG 3.42Å; P279-L283 PolarHBondContact O-N 3.37Å; L280-L283 PolarHBondContact O-N 3.23Å; L280-L283 VanDerWaalsContact O-N 3.16Å; L283-S285 PolarHBondContact O-N 3.07Å; L283-G286 WeakPolarHBondContact O-CA 3.49Å; L283-G286 PolarHBondContact O-N 2.9Å; L283-F289 HydrophobicContact CD2-CD2 3.91Å; L283-F289 HydrophobicContact CD2-CE2 3.64Å; L283-F289 HydrophobicContact CG-CE2 4.25Å
284E96.4Very high96.7Very high136 Ų13650.7 Ų50.764%0.63626%0.259SS*.Hα-helixtrans-61.9-26.1177.8-70.8174165.600112.6L280 K281 G286L280-E284 HydrophobicContact CD1-CG 4.35Å; L280-E284 WeakPolarHBondContact O-CG 3.48Å; L280-E284 PolarHBondContact O-N 3.15Å; K281-E284 PolarHBondContact O-N 3.2Å; E284-G286 PolarHBondContact O-N 2.96Å; E284-G286 VanDerWaalsContact O-N 3.08Å
285S93.9Very high96.9Very high32 Ų3252 Ų5222%0.22427%0.266CS..THydrogen-bonded Turntrans-64.2-9.5171.784.50000113.4R207 K281 T282 L283 Y287R207-S285 PolarHBondContact NE-O 2.88Å; R207-S285 PolarHBondContact NH2-O 2.99Å; K281-S285 WeakPolarHBondContact O-CB 3.44Å; K281-S285 PolarHBondContact O-N 2.64Å; T282-S285 WeakPolarHBondContact O-CB 3.37Å; T282-S285 PolarHBondContact O-OG 2.97Å; L283-S285 PolarHBondContact O-N 3.07Å; S285-Y287 PolarHBondContact OG-N 3.09Å
286G95.6Very high97Very high43 Ų4355.1 Ų55.144%0.44328%0.283SS..THydrogen-bonded Turntrans80.514.9-175.300000113.7L283 E284 Q288L283-G286 WeakPolarHBondContact O-CA 3.49Å; L283-G286 PolarHBondContact O-N 2.9Å; E284-G286 PolarHBondContact O-N 2.96Å; E284-G286 VanDerWaalsContact O-N 3.08Å; G286-Q288 PolarHBondContact O-N 2.76Å
287Y96.9Very high97Very high30 Ų3052.4 Ų52.412%0.11827%0.271CS..  trans-66.9128.1175-176.7-101.5000110.7D200 G203 I204 T282 S285 F289D200-Y287 VanDerWaalsContact CA-OH 3.25Å; D200-Y287 WeakPolarHBondContact CA-OH 3.37Å; D200-Y287 HydrophobicContact CB-CE1 4.42Å; D200-Y287 PolarHBondContact O-OH 3.39Å; D200-Y287 VanDerWaalsContact O-OH 3.04Å; D200-Y287 PolarHBondContact OD1-OH 3.23Å; G203-Y287 VanDerWaalsContact C-CE2 3.41Å; I204-Y287 HydrophobicContact CD1-CD1 4.3Å; I204-Y287 HydrophobicContact CD1-CE1 4.16Å; I204-Y287 HydrophobicContact CG1-CD1 3.68Å; I204-Y287 HydrophobicContact CG1-CD2 4.1Å; I204-Y287 HydrophobicContact CG1-CE1 3.56Å; I204-Y287 HydrophobicContact CG1-CE2 4.02Å; I204-Y287 HydrophobicContact CG1-CG 3.95Å; T282-Y287 HydrophobicContact CG2-CD1 4.5Å; T282-Y287 WeakPolarHBondContact O-CB 3.22Å; S285-Y287 PolarHBondContact OG-N 3.09Å; Y287-F289 HydrophobicContact CD1-CD1 4.35Å; Y287-F289 AromaticContact CD1-CD2 3.85Å; Y287-F289 HydrophobicContact CD1-CD2 3.85Å; Y287-F289 HydrophobicContact CD1-CE1 4.33Å; Y287-F289 AromaticContact CD1-CE2 3.82Å; Y287-F289 HydrophobicContact CD1-CE2 3.82Å; Y287-F289 HydrophobicContact CD1-CG 4.12Å; Y287-F289 HydrophobicContact CD1-CZ 4.08Å; Y287-F289 AromaticContact CE1-CD1 3.94Å; Y287-F289 HydrophobicContact CE1-CD1 3.94Å; Y287-F289 HydrophobicContact CE1-CD2 4.17Å; Y287-F289 HydrophobicContact CE1-CE1 4.14Å; Y287-F289 HydrophobicContact CE1-CE2 4.36Å; Y287-F289 AromaticContact CE1-CG 3.95Å; Y287-F289 HydrophobicContact CE1-CG 3.95Å; Y287-F289 HydrophobicContact CE1-CZ 4.36Å
288Q97.3Very high96.9Very high175 Ų17552.1 Ų52.182%0.81827%0.27SS*.  trans-100112176.5-65.1-173.8-5.100109.7G286 K290G286-Q288 PolarHBondContact O-N 2.76Å; Q288-K290 PolarHBondContact O-N 3.32Å
289F98.1Very high96.8Very high27 Ų2754.1 Ų54.112%0.11828%0.276CS..  trans-67.6129175.7-72.6-95.8000110.6I196 D200 I204 V228 P230 P279 T282 L283 Y287 P292I196-F289 HydrophobicContact CD1-CE1 4.17Å; D200-F289 HydrophobicContact CB-CD1 4.03Å; I204-F289 HydrophobicContact CD1-CE1 4.22Å; I204-F289 HydrophobicContact CD1-CZ 4.3Å; V228-F289 VanDerWaalsContact O-CE1 3.31Å; V228-F289 WeakPolarHBondContact O-CE1 3.49Å; V228-F289 VanDerWaalsContact O-CZ 3.32Å; V228-F289 WeakPolarHBondContact O-CZ 3.36Å; P230-F289 HydrophobicContact CG-CD2 4.42Å; P279-F289 HydrophobicContact CB-CZ 4.33Å; P279-F289 HydrophobicContact CG-CZ 4.4Å; T282-F289 HydrophobicContact CG2-CE2 4.35Å; T282-F289 HydrophobicContact CG2-CZ 3.99Å; L283-F289 HydrophobicContact CD2-CD2 3.91Å; L283-F289 HydrophobicContact CD2-CE2 3.64Å; L283-F289 HydrophobicContact CG-CE2 4.25Å; Y287-F289 HydrophobicContact CD1-CD1 4.35Å; Y287-F289 AromaticContact CD1-CD2 3.85Å; Y287-F289 HydrophobicContact CD1-CD2 3.85Å; Y287-F289 HydrophobicContact CD1-CE1 4.33Å; Y287-F289 AromaticContact CD1-CE2 3.82Å; Y287-F289 HydrophobicContact CD1-CE2 3.82Å; Y287-F289 HydrophobicContact CD1-CG 4.12Å; Y287-F289 HydrophobicContact CD1-CZ 4.08Å; Y287-F289 AromaticContact CE1-CD1 3.94Å; Y287-F289 HydrophobicContact CE1-CD1 3.94Å; Y287-F289 HydrophobicContact CE1-CD2 4.17Å; Y287-F289 HydrophobicContact CE1-CE1 4.14Å; Y287-F289 HydrophobicContact CE1-CE2 4.36Å; Y287-F289 AromaticContact CE1-CG 3.95Å; Y287-F289 HydrophobicContact CE1-CG 3.95Å; Y287-F289 HydrophobicContact CE1-CZ 4.36Å; F289-P292 HydrophobicContact CB-CB 4Å
290K97.6Very high96.7Very high136 Ų13658.1 Ų58.159%0.59130%0.295SS*.SBendtrans-74-34.2170.9-173.8174.5178.7-177.50111.4D200 Q288 P292D200-K290 WeakPolarHBondContact OD1-CB 3.33Å; D200-K290 PolarHBondContact OD1-N 3.05Å; Q288-K290 PolarHBondContact O-N 3.32Å; K290-P292 VanDerWaalsContact C-CD 3.49Å
291Y97.8Very high96.5Very high22 Ų2255 Ų559%0.08628%0.279CS..  trans-12771.2178.3-50.3-81.8000111H197 D200 D293 L296 A297 Q300H197-Y291 HydrophobicContact CB-CD2 3.66Å; H197-Y291 HydrophobicContact CB-CG 4.07Å; H197-Y291 AromaticContact CD2-CD2 3.83Å; H197-Y291 AromaticContact CE1-CD2 3.82Å; H197-Y291 AromaticContact CE1-CE2 3.41Å; H197-Y291 VanDerWaalsContact CE1-CE2 3.41Å; H197-Y291 WeakPolarHBondContact CE1-CE2 3.46Å; H197-Y291 AromaticContact CG-CD2 3.26Å; H197-Y291 AromaticContact CG-CE2 3.71Å; H197-Y291 AromaticContact CG-CG 3.85Å; H197-Y291 AromaticContact ND1-CD2 3.25Å; H197-Y291 VanDerWaalsContact ND1-CD2 3.25Å; H197-Y291 WeakPolarHBondContact ND1-CD2 3.37Å; H197-Y291 AromaticContact ND1-CE2 3.25Å; H197-Y291 WeakPolarHBondContact ND1-CE2 3.3Å; H197-Y291 AromaticContact NE2-CE2 3.94Å; D200-Y291 WeakPolarHBondContact OD2-CA 3.45Å; D200-Y291 WeakPolarHBondContact OD2-CB 3.37Å; D200-Y291 PolarHBondContact OD2-N 2.96Å; Y291-D293 VanDerWaalsContact C-N 3.26Å; Y291-D293 PolarHBondContact O-N 3.46Å; Y291-L296 HydrophobicContact CD1-CB 4.36Å; Y291-A297 HydrophobicContact CG-CB 4.49Å; Y291-Q300 HydrophobicContact CD1-CB 4.46Å; Y291-Q300 HydrophobicContact CE1-CB 3.68Å; Y291-Q300 HydrophobicContact CE1-CG 3.89Å; Y291-Q300 WeakPolarHBondContact OH-CG 3.39Å
292P96.9Very high96.1Very high49 Ų4953.5 Ų53.532%0.31828%0.275SS..  trans-72.3-22.7-18030.2-35000113P230 A231 F289 K290P230-P292 HydrophobicContact CG-CB 3.72Å; A231-P292 WeakPolarHBondContact CB-O 3.49Å; F289-P292 HydrophobicContact CB-CB 4Å; K290-P292 VanDerWaalsContact C-CD 3.49Å
293D95.3Very high95.5Very high64 Ų6456.1 Ų56.134%0.34230%0.302SS..SBendtrans-109.9145-178.3158.777.5000111.2Y291 T295 L296 A297Y291-D293 VanDerWaalsContact C-N 3.26Å; Y291-D293 PolarHBondContact O-N 3.46Å; D293-T295 PolarHBondContact O-N 3.48Å; D293-T295 VanDerWaalsContact OD2-CA 3.27Å; D293-T295 WeakPolarHBondContact OD2-CA 3.4Å; D293-T295 WeakPolarHBondContact OD2-CB 3.47Å; D293-T295 PolarHBondContact OD2-N 3.45Å; D293-L296 HydrophobicContact CB-CD1 4.3Å; D293-L296 HydrophobicContact CB-CG 4.39Å; D293-L296 PolarHBondContact O-N 3.46Å; D293-L296 PolarHBondContact OD2-N 3.47Å; D293-A297 PolarHBondContact O-N 3.19Å; D293-A297 VanDerWaalsContact O-N 3.12Å
294L95.9Very high93.5Very high11 Ų1157.8 Ų57.86%0.05832%0.319CS..Hα-helixtrans-66.1-38.7-176.3-178.263.5000112.6L164 W195 T233 F238 E241 A297 L298L164-L294 HydrophobicContact CD1-CD1 4.46Å; W195-L294 HydrophobicContact CD2-CD1 4.1Å; W195-L294 HydrophobicContact CH2-CB 4.39Å; W195-L294 HydrophobicContact CH2-CD1 4.35Å; W195-L294 VanDerWaalsContact CZ2-CA 3.42Å; W195-L294 HydrophobicContact CZ2-CB 3.69Å; W195-L294 HydrophobicContact CZ2-CD1 3.84Å; W195-L294 HydrophobicContact CZ2-CG 4.38Å; T233-L294 HydrophobicContact CG2-CD2 3.53Å; F238-L294 HydrophobicContact CB-CD2 4.29Å; F238-L294 HydrophobicContact CD2-CD1 3.85Å; F238-L294 HydrophobicContact CD2-CD2 4.36Å; F238-L294 HydrophobicContact CE2-CD1 4.34Å; E241-L294 HydrophobicContact CB-CD2 4.15Å; E241-L294 HydrophobicContact CG-CD2 4.37Å; E241-L294 HydrophobicContact CG-CG 4.39Å; L294-A297 PolarHBondContact O-N 3.48Å; L294-L298 HydrophobicContact CD1-CD1 3.86Å; L294-L298 HydrophobicContact CD1-CD2 4.5Å; L294-L298 HydrophobicContact CD1-CG 3.88Å; L294-L298 HydrophobicContact CD2-CD1 4.39Å; L294-L298 HydrophobicContact CG-CD1 3.82Å; L294-L298 HydrophobicContact CG-CG 4.2Å; L294-L298 WeakPolarHBondContact O-CB 3.16Å; L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.46Å; L294-L298 PolarHBondContact O-N 3.13Å
295T96.4Very high93.4Very high32 Ų3253.9 Ų53.920%0.19630%0.304CS..Hα-helixtrans-61.8-46.6178.8-54.80000110.4E241 I245 D293 L298 K299E241-T295 VanDerWaalsContact OE1-CG2 3.31Å; E241-T295 WeakPolarHBondContact OE1-CG2 3.29Å; E241-T295 PolarHBondContact OE1-OG1 2.61Å; I245-T295 HydrophobicContact CD1-CG2 4.46Å; D293-T295 PolarHBondContact O-N 3.48Å; D293-T295 VanDerWaalsContact OD2-CA 3.27Å; D293-T295 WeakPolarHBondContact OD2-CA 3.4Å; D293-T295 WeakPolarHBondContact OD2-CB 3.47Å; D293-T295 PolarHBondContact OD2-N 3.45Å; T295-L298 PolarHBondContact O-N 3.32Å; T295-K299 HydrophobicContact CG2-CD 4.1Å; T295-K299 HydrophobicContact CG2-CG 4.38Å; T295-K299 WeakPolarHBondContact O-CB 3.47Å; T295-K299 VanDerWaalsContact O-CG 3.29Å; T295-K299 WeakPolarHBondContact O-CG 3.45Å; T295-K299 PolarHBondContact O-N 3.38Å
296L96.1Very high93.4Very high89 Ų8955 Ų5547%0.46631%0.308SS..Hα-helixtrans-61-46.7177.7-68.8178.4000111.7Y291 D293 Q300Y291-L296 HydrophobicContact CD1-CB 4.36Å; D293-L296 HydrophobicContact CB-CD1 4.3Å; D293-L296 HydrophobicContact CB-CG 4.39Å; D293-L296 PolarHBondContact O-N 3.46Å; D293-L296 PolarHBondContact OD2-N 3.47Å; L296-Q300 PolarHBondContact O-N 2.88Å
297A96.7Very high93.2Very high0 Ų055.7 Ų55.70%030%0.3CS..Hα-helixtrans-59.4-52.3177.700000111.1W195 H197 Y291 D293 L294 K299 Q300 I301W195-A297 HydrophobicContact CH2-CB 3.67Å; W195-A297 HydrophobicContact CZ3-CB 3.48Å; W195-A297 VanDerWaalsContact CZ3-CB 3.48Å; H197-A297 HydrophobicContact CB-CB 4.48Å; Y291-A297 HydrophobicContact CG-CB 4.49Å; D293-A297 PolarHBondContact O-N 3.19Å; D293-A297 VanDerWaalsContact O-N 3.12Å; L294-A297 PolarHBondContact O-N 3.48Å; A297-K299 PolarHBondContact O-N 3.25Å; A297-Q300 PolarHBondContact O-N 3.07Å; A297-I301 WeakPolarHBondContact O-CD1 3.17Å; A297-I301 WeakPolarHBondContact O-CG1 3.39Å; A297-I301 PolarHBondContact O-N 2.93Å
298L96.1Very high93Very high0 Ų057.2 Ų57.20%031%0.311CS..Hα-helixtrans-66.1-40.1-175.9-71.7-179.2000112.6M171 F238 E241 L242 I245 L294 T295 Q300 I301 V302M171-L298 HydrophobicContact CE-CD2 4.01Å; M171-L298 HydrophobicContact SD-CD2 4.2Å; F238-L298 HydrophobicContact CE2-CD1 4.49Å; F238-L298 HydrophobicContact CE2-CD2 3.96Å; F238-L298 HydrophobicContact CZ-CD2 4.47Å; E241-L298 HydrophobicContact CB-CD1 4.17Å; E241-L298 HydrophobicContact CG-CD1 3.94Å; L242-L298 HydrophobicContact CB-CD1 4.06Å; L242-L298 HydrophobicContact CD1-CD2 4.27Å; I245-L298 HydrophobicContact CD1-CB 3.37Å; I245-L298 HydrophobicContact CD1-CD1 4.22Å; I245-L298 HydrophobicContact CD1-CG 4.45Å; L294-L298 HydrophobicContact CD1-CD1 3.86Å; L294-L298 HydrophobicContact CD1-CD2 4.5Å; L294-L298 HydrophobicContact CD1-CG 3.88Å; L294-L298 HydrophobicContact CD2-CD1 4.39Å; L294-L298 HydrophobicContact CG-CD1 3.82Å; L294-L298 HydrophobicContact CG-CG 4.2Å; L294-L298 WeakPolarHBondContact O-CB 3.16Å; L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.46Å; L294-L298 PolarHBondContact O-N 3.13Å; T295-L298 PolarHBondContact O-N 3.32Å; L298-Q300 VanDerWaalsContact C-N 3.34Å; L298-Q300 PolarHBondContact O-N 3.26Å; L298-I301 HydrophobicContact CD2-CD1 4.48Å; L298-I301 PolarHBondContact O-N 3.45Å; L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 2.89Å
299K95.9Very high92.8Very high86 Ų8649.8 Ų49.837%0.37428%0.279SS..Hα-helixtrans-57.8-46.9175.3-81.1-177.6176.8-179.50111.8I245 T295 A297 I301 V302 G303 S304I245-K299 HydrophobicContact CD1-CG 4.01Å; I245-K299 HydrophobicContact CG1-CG 4.31Å; T295-K299 HydrophobicContact CG2-CD 4.1Å; T295-K299 HydrophobicContact CG2-CG 4.38Å; T295-K299 WeakPolarHBondContact O-CB 3.47Å; T295-K299 VanDerWaalsContact O-CG 3.29Å; T295-K299 WeakPolarHBondContact O-CG 3.45Å; T295-K299 PolarHBondContact O-N 3.38Å; A297-K299 PolarHBondContact O-N 3.25Å; K299-I301 VanDerWaalsContact C-N 3.31Å; K299-I301 PolarHBondContact O-N 2.81Å; K299-V302 PolarHBondContact O-N 3.08Å; K299-G303 PolarHBondContact O-N 3.34Å; K299-S304 WeakPolarHBondContact CA-OG 3.46Å; K299-S304 WeakPolarHBondContact CB-O 3.46Å; K299-S304 PolarHBondContact O-N 3.49Å; K299-S304 PolarHBondContact O-OG 3.24Å
300Q95.6Very high92.4Very high86 Ų8651.3 Ų51.340%0.40229%0.29SS..Hα-helixtrans-63.6-40.2177.8-170.4-85.9-16.400111.8H197 Y291 L296 A297 L298 G303H197-Q300 PolarHBondContact NE2-OE1 3.4Å; Y291-Q300 HydrophobicContact CD1-CB 4.46Å; Y291-Q300 HydrophobicContact CE1-CB 3.68Å; Y291-Q300 HydrophobicContact CE1-CG 3.89Å; Y291-Q300 WeakPolarHBondContact OH-CG 3.39Å; L296-Q300 PolarHBondContact O-N 2.88Å; A297-Q300 PolarHBondContact O-N 3.07Å; L298-Q300 VanDerWaalsContact C-N 3.34Å; L298-Q300 PolarHBondContact O-N 3.26Å; Q300-G303 PolarHBondContact O-N 3.02Å
301I93.9Very high92Very high0 Ų045.3 Ų45.30%027%0.269CS..Hα-helixtrans-63.1-47-179.9-71.6168.5000111.7L164 R166 M171 A297 L298 K299 G303L164-I301 HydrophobicContact CB-CD1 3.64Å; R166-I301 HydrophobicContact CB-CG2 4.47Å; R166-I301 WeakPolarHBondContact CB-O 3.43Å; R166-I301 WeakPolarHBondContact CD-O 3.15Å; R166-I301 WeakPolarHBondContact CG-O 3.31Å; M171-I301 HydrophobicContact CE-CG2 3.79Å; M171-I301 HydrophobicContact CG-CD1 4.31Å; M171-I301 HydrophobicContact CG-CG2 4.16Å; A297-I301 WeakPolarHBondContact O-CD1 3.17Å; A297-I301 WeakPolarHBondContact O-CG1 3.39Å; A297-I301 PolarHBondContact O-N 2.93Å; L298-I301 HydrophobicContact CD2-CD1 4.48Å; L298-I301 PolarHBondContact O-N 3.45Å; K299-I301 VanDerWaalsContact C-N 3.31Å; K299-I301 PolarHBondContact O-N 2.81Å; I301-G303 VanDerWaalsContact C-N 3.29Å
302V90.9Very high91.6Very high31 Ų3147.1 Ų47.119%0.18828%0.283CS..Hα-helixtrans-80.1-14-178.4-55.90000112.8L175 L242 I245 L246 L298 K299 S304L175-V302 HydrophobicContact CD2-CG1 4.12Å; L242-V302 HydrophobicContact CD1-CG1 4.27Å; I245-V302 HydrophobicContact CG2-CB 4.39Å; I245-V302 HydrophobicContact CG2-CG1 4.31Å; I245-V302 HydrophobicContact CG2-CG2 3.3Å; L246-V302 HydrophobicContact CD2-CB 4.08Å; L246-V302 HydrophobicContact CD2-CG1 3.72Å; L246-V302 HydrophobicContact CG-CG1 4.28Å; L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 2.89Å; K299-V302 PolarHBondContact O-N 3.08Å; V302-S304 WeakPolarHBondContact CG2-OG 3.43Å
303G84.5Confident91.2Very high55 Ų5546.9 Ų46.957%0.56728%0.28SS*.THydrogen-bonded Turntrans75.338.2-176.600000113.5K299 Q300 I301K299-G303 PolarHBondContact O-N 3.34Å; Q300-G303 PolarHBondContact O-N 3.02Å; I301-G303 VanDerWaalsContact C-N 3.29Å
304S56.5Low90.8Very high109 Ų10945.4 Ų45.476%0.76227%0.274SS*.  trans-109.90-179.467.30000113.1K299 V302K299-S304 WeakPolarHBondContact CA-OG 3.46Å; K299-S304 WeakPolarHBondContact CB-O 3.46Å; K299-S304 PolarHBondContact O-N 3.49Å; K299-S304 PolarHBondContact O-OG 3.24Å; V302-S304 WeakPolarHBondContact CG2-OG 3.43Å

Retrieved 304 of 304 residues in 159.6 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).