A0A077ZAE5_TRITR Loading...

Glyco transf 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAE5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35Very low35.3Very low211 Ų211124.6 Ų124.6100%1.03968%0.679SS**  0113.60-75.5-169.5-87.400107.2S3M1-S3 PolarHBondContact O-N 3.09Å
2A33Very low36.2Very low78 Ų78130.5 Ų130.565%0.64570%0.698SS**  trans-74.4111.6176.900000108.4W4A2-W4 PolarHBondContact O-N 3.3Å
3S35.4Very low37.2Very low101 Ų101132.6 Ų132.671%0.70670%0.701SS**  trans-67.5116.2167.6173.30000107.6M1 A5M1-S3 PolarHBondContact O-N 3.09Å; S3-A5 PolarHBondContact O-N 3.24Å; S3-A5 WeakPolarHBondContact OG-CB 3.32Å; S3-A5 PolarHBondContact OG-N 3.3Å
4W37Very low38.3Very low212 Ų212127.9 Ų127.980%0.80367%0.67SS**  trans-91.929.3170.9-6294.5000111.7A2 V6A2-W4 PolarHBondContact O-N 3.3Å; W4-V6 PolarHBondContact O-N 3.44Å
5A32.7Very low39.9Very low54 Ų54123.3 Ų123.345%0.44667%0.666SS.*  trans-66.5107.7168.600000107.8S3 E7S3-A5 PolarHBondContact O-N 3.24Å; S3-A5 WeakPolarHBondContact OG-CB 3.32Å; S3-A5 PolarHBondContact OG-N 3.3Å; A5-E7 VanDerWaalsContact C-N 3.34Å; A5-E7 PolarHBondContact O-N 3.31Å; A5-E7 VanDerWaalsContact O-N 3.15Å
6V31.3Very low41.9Very low94 Ų94124.8 Ų124.857%0.5767%0.674SS**  trans-76.795.4166.4176.10000105.1W4 L8W4-V6 PolarHBondContact O-N 3.44Å; V6-L8 HydrophobicContact CG1-CD1 3.99Å; V6-L8 HydrophobicContact CG1-CD2 4.46Å; V6-L8 HydrophobicContact CG1-CG 3.88Å; V6-L8 PolarHBondContact O-N 3.15Å
7E29.8Very low44.5Very low183 Ų183120.2 Ų120.286%0.85565%0.652SS**  trans-65.8118.5167.8-89.1175.8158.400108A5A5-E7 VanDerWaalsContact C-N 3.34Å; A5-E7 PolarHBondContact O-N 3.31Å; A5-E7 VanDerWaalsContact O-N 3.15Å
8L35.7Very low47.3Very low114 Ų114113.6 Ų113.660%0.59762%0.616SS**  trans-120.7146.9170.8-74.7168.9000110.2V6 Q81V6-L8 HydrophobicContact CG1-CD1 3.99Å; V6-L8 HydrophobicContact CG1-CD2 4.46Å; V6-L8 HydrophobicContact CG1-CG 3.88Å; V6-L8 PolarHBondContact O-N 3.15Å; L8-Q81 PolarHBondContact O-OE1 3.25Å
9E35.8Very low49.9Very low170 Ų170108 Ų10879%0.79459%0.588SS**SBendtrans-46.5152-170.2-65.5164.314700114.9
10T40.8Very low52.3Low74 Ų74102.6 Ų102.645%0.45456%0.558SS.*  trans100.215.4158.276.60000120.4E12 Q13T10-E12 PolarHBondContact O-N 2.91Å; T10-Q13 PolarHBondContact O-N 3.16Å; T10-Q13 VanDerWaalsContact O-N 3.17Å
11S42Very low54.5Low80 Ų8097.8 Ų97.856%0.55953%0.532SS*.THydrogen-bonded Turntrans-59.9-17.9171.176.30000113.9Q13S11-Q13 VanDerWaalsContact C-N 3.26Å; S11-Q13 PolarHBondContact O-N 2.91Å
12E45.9Very low57.5Low195 Ų19587.7 Ų87.791%0.91148%0.482SS*.THydrogen-bonded Turntrans-68-23.2178-70.8-172.9163.100113.7T10T10-E12 PolarHBondContact O-N 2.91Å
13Q49.5Very low60.5Low158 Ų15886.1 Ų86.174%0.73847%0.465SS*.THydrogen-bonded Turntrans-88.9-17.1-176-138.8178.47.600113.4T10 S11T10-Q13 PolarHBondContact O-N 3.16Å; T10-Q13 VanDerWaalsContact O-N 3.17Å; S11-Q13 VanDerWaalsContact C-N 3.26Å; S11-Q13 PolarHBondContact O-N 2.91Å
14Y51.8Low63.3Low66 Ų6681.3 Ų81.326%0.25943%0.431SS..SBendtrans-117.1147.7179.3-59.8-78.6000107.6F51 N79Y14-F51 HydrophobicContact CD1-CB 4.3Å; Y14-F51 HydrophobicContact CD2-CB 3.72Å; Y14-F51 AromaticContact CD2-CD2 3.98Å; Y14-F51 HydrophobicContact CD2-CD2 3.98Å; Y14-F51 HydrophobicContact CD2-CG 4.22Å; Y14-F51 HydrophobicContact CE2-CD2 4.24Å; Y14-F51 HydrophobicContact CG-CB 3.6Å; Y14-N79 PolarHBondContact OH-ND2 3.14Å; Y14-N79 PolarHBondContact OH-OD1 3.14Å
15G63.3Low66Low60 Ų6073.5 Ų73.562%0.61940%0.402SS*.SBendtrans-59.1-171.1167.300000111.3P17G15-P17 VanDerWaalsContact O-N 3.11Å
16D70.7Confident68.7Low146 Ų14674.5 Ų74.578%0.78140%0.4SS*.SBendtrans-46.2123.8178.2-70.1-25.5000111.4
17P86.9Confident71.4Confident48 Ų4870 Ų7031%0.31237%0.373SS..  trans-65.7144.1-172.928.2-36.4000110.4G15 G19 F51 N53G15-P17 VanDerWaalsContact O-N 3.11Å; P17-G19 PolarHBondContact O-N 2.86Å; P17-G19 VanDerWaalsContact O-N 3.08Å; P17-F51 WeakPolarHBondContact CA-O 3.37Å; P17-F51 HydrophobicContact CB-CD1 3.73Å; P17-F51 HydrophobicContact CB-CE1 4.5Å; P17-N53 HydrophobicContact CB-CB 4.43Å
18V94.8Very high74.3Confident1 Ų167.8 Ų67.81%0.00636%0.362CS..EExtended strand (participates in β ladder)trans-75.3105.1176.7-178.30000108.4I20 F51 I52 N53 I136 V148 H152V18-I20 HydrophobicContact CG1-CD1 4.14Å; V18-I20 HydrophobicContact CG1-CG1 4.03Å; V18-F51 PolarHBondContact N-O 3.02Å; V18-I52 HydrophobicContact CB-CG1 4.49Å; V18-N53 PolarHBondContact O-N 3.23Å; V18-I136 HydrophobicContact CG1-CD1 3.97Å; V18-V148 HydrophobicContact CG1-CG1 4.17Å; V18-V148 HydrophobicContact CG1-CG2 4.18Å; V18-H152 HydrophobicContact CG1-CB 3.99Å; V18-H152 HydrophobicContact CG2-CB 4.11Å
19G96.5Very high76.9Confident7 Ų768.2 Ų68.27%0.07237%0.365CS..EExtended strand (participates in β ladder)trans-75.7120.9176.800000111.8P17 I136P17-G19 PolarHBondContact O-N 2.86Å; P17-G19 VanDerWaalsContact O-N 3.08Å; G19-I136 PolarHBondContact O-N 3.42Å
20I98Very high79.6Confident0 Ų063.2 Ų63.20%034%0.344CS..EExtended strand (participates in β ladder)trans-127.4134.1-179.4-63174.7000109.5V18 L44 I52 N53 L54 H55 I136 L138 V148V18-I20 HydrophobicContact CG1-CD1 4.14Å; V18-I20 HydrophobicContact CG1-CG1 4.03Å; I20-L44 HydrophobicContact CD1-CD1 3.78Å; I20-L44 HydrophobicContact CD1-CD2 3.6Å; I20-L44 HydrophobicContact CD1-CG 4.19Å; I20-L44 HydrophobicContact CG2-CD2 4.49Å; I20-I52 HydrophobicContact CD1-CD1 4.4Å; I20-I52 HydrophobicContact CD1-CG1 4.35Å; I20-I52 HydrophobicContact CD1-CG2 3.87Å; I20-I52 HydrophobicContact CG1-CG2 4.4Å; I20-N53 PolarHBondContact N-O 3.26Å; I20-L54 HydrophobicContact CB-CD1 4.05Å; I20-L54 HydrophobicContact CG2-CD1 3.79Å; I20-H55 WeakPolarHBondContact O-CA 3.46Å; I20-H55 WeakPolarHBondContact O-CB 3.34Å; I20-H55 PolarHBondContact O-N 3.11Å; I20-I136 CarbonylContact C-O 3.58Å; I20-I136 VanDerWaalsContact CA-O 3.31Å; I20-I136 WeakPolarHBondContact CA-O 3.47Å; I20-I136 HydrophobicContact CG1-CB 4.37Å; I20-L138 HydrophobicContact CG2-CD1 3.5Å; I20-L138 HydrophobicContact CG2-CG 4.05Å; I20-V148 HydrophobicContact CD1-CG1 4.36Å; I20-V148 HydrophobicContact CD1-CG2 3.87Å
21M98.4Very high82Confident1 Ų164.4 Ų64.41%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-111.5124.5176.1-176.966.472.500110.8H55 I57 Y85 F129 L135 I136 F137 L138M21-H55 CarbonylContact C-O 3.53Å; M21-H55 WeakPolarHBondContact CA-O 3.05Å; M21-H55 HydrophobicContact CE-CB 3.48Å; M21-H55 VanDerWaalsContact CE-CB 3.48Å; M21-H55 HydrophobicContact SD-CB 3.62Å; M21-I57 HydrophobicContact CE-CD1 4.42Å; M21-I57 HydrophobicContact CG-CD1 4.25Å; M21-I57 HydrophobicContact SD-CD1 3.66Å; M21-I57 HydrophobicContact SD-CG1 3.67Å; M21-Y85 HydrophobicContact CE-CD2 4.43Å; M21-Y85 HydrophobicContact CE-CE2 4.24Å; M21-F129 HydrophobicContact CE-CD2 4.31Å; M21-F129 HydrophobicContact CE-CE1 4.03Å; M21-F129 HydrophobicContact CE-CE2 3.66Å; M21-F129 HydrophobicContact CE-CZ 3.5Å; M21-F129 VanDerWaalsContact CE-CZ 3.5Å; M21-L135 HydrophobicContact CB-CD1 4.1Å; M21-L135 HydrophobicContact CB-CD2 4Å; M21-L135 HydrophobicContact CB-CG 4.05Å; M21-L135 HydrophobicContact CE-CD2 3.97Å; M21-I136 PolarHBondContact N-O 3.1Å; M21-F137 HydrophobicContact CB-CD1 3.78Å; M21-F137 HydrophobicContact CB-CE1 3.93Å; M21-F137 HydrophobicContact CB-CG 4.14Å; M21-F137 HydrophobicContact CB-CZ 4.39Å; M21-F137 HydrophobicContact CG-CD1 3.64Å; M21-F137 HydrophobicContact CG-CE1 3.54Å; M21-F137 HydrophobicContact CG-CG 4.48Å; M21-F137 HydrophobicContact CG-CZ 4.31Å; M21-L138 PolarHBondContact O-N 3.12Å
22L98Very high84.4Confident0 Ų064.7 Ų64.70%034%0.344CS..EExtended strand (participates in β ladder)trans-117.8141.8169.8-70.9174.4000110.2F37 V41 L54 H55 V56 I57 L138 V140L22-F37 HydrophobicContact CD1-CD2 4.29Å; L22-F37 HydrophobicContact CD1-CE2 3.8Å; L22-V41 HydrophobicContact CD1-CG2 3.68Å; L22-L54 HydrophobicContact CD1-CD1 3.81Å; L22-L54 HydrophobicContact CD1-CD2 4.42Å; L22-L54 HydrophobicContact CG-CD1 4.12Å; L22-H55 PolarHBondContact N-O 2.91Å; L22-V56 WeakPolarHBondContact O-CA 3.28Å; L22-I57 PolarHBondContact O-N 3.14Å; L22-L138 HydrophobicContact CD2-CB 3.57Å; L22-L138 WeakPolarHBondContact CD2-O 3.46Å; L22-V140 HydrophobicContact CD2-CG1 4.16Å
23T96.5Very high86.6Confident44 Ų4456.9 Ų56.927%0.2731%0.308SS..EExtended strand (participates in β ladder)trans-107.2117.3167.9-59.30000109.2Y25 I57 L118 V140T23-Y25 HydrophobicContact CG2-CD1 3.8Å; T23-Y25 HydrophobicContact CG2-CE1 3.87Å; T23-I57 HydrophobicContact CG2-CB 4.42Å; T23-L118 HydrophobicContact CG2-CB 4.23Å; T23-L118 HydrophobicContact CG2-CD1 4.05Å; T23-V140 WeakPolarHBondContact O-CG1 3.12Å
24F94.2Very high88.8Confident1 Ų151 Ų510%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-140.8107-174.2169.6-107.5000110.5L33 L34 F37 V56 I57 T58 F65 I66 V140F24-L33 HydrophobicContact CD2-CD2 4.12Å; F24-L33 HydrophobicContact CD2-CG 3.89Å; F24-L33 HydrophobicContact CE2-CD2 4.18Å; F24-L33 HydrophobicContact CE2-CG 3.83Å; F24-L34 HydrophobicContact CE2-CD2 4.03Å; F24-L34 HydrophobicContact CZ-CD2 3.53Å; F24-F37 HydrophobicContact CB-CD2 3.79Å; F24-F37 HydrophobicContact CB-CE2 4.09Å; F24-F37 HydrophobicContact CD1-CD2 4.09Å; F24-F37 HydrophobicContact CD1-CE2 4.3Å; F24-F37 HydrophobicContact CD1-CG 4.42Å; F24-F37 HydrophobicContact CD2-CB 3.7Å; F24-F37 AromaticContact CD2-CD2 3.73Å; F24-F37 HydrophobicContact CD2-CD2 3.73Å; F24-F37 AromaticContact CD2-CG 3.88Å; F24-F37 HydrophobicContact CD2-CG 3.88Å; F24-F37 HydrophobicContact CE1-CG 4.48Å; F24-F37 HydrophobicContact CE2-CB 3.58Å; F24-F37 HydrophobicContact CE2-CD2 4.28Å; F24-F37 AromaticContact CE2-CG 3.95Å; F24-F37 HydrophobicContact CE2-CG 3.95Å; F24-F37 HydrophobicContact CG-CB 4.42Å; F24-F37 AromaticContact CG-CD2 3.6Å; F24-F37 HydrophobicContact CG-CD2 3.6Å; F24-F37 HydrophobicContact CG-CE2 4.12Å; F24-F37 HydrophobicContact CG-CG 4.1Å; F24-F37 HydrophobicContact CZ-CB 4.21Å; F24-F37 HydrophobicContact CZ-CG 4.24Å; F24-V56 HydrophobicContact CB-CG1 4.29Å; F24-I57 PolarHBondContact N-O 3.34Å; F24-T58 VanDerWaalsContact O-CA 3.24Å; F24-T58 WeakPolarHBondContact O-CA 3.33Å; F24-T58 WeakPolarHBondContact O-CB 3.48Å; F24-T58 PolarHBondContact O-OG1 2.98Å; F24-F65 AromaticContact CE1-CD1 3.74Å; F24-F65 HydrophobicContact CE1-CD1 3.74Å; F24-F65 HydrophobicContact CE1-CE1 4.35Å; F24-F65 AromaticContact CZ-CD1 3.66Å; F24-F65 HydrophobicContact CZ-CD1 3.66Å; F24-F65 AromaticContact CZ-CE1 3.91Å; F24-F65 HydrophobicContact CZ-CE1 3.91Å; F24-I66 HydrophobicContact CD1-CD1 3.84Å; F24-I66 HydrophobicContact CD1-CG1 4.38Å; F24-I66 HydrophobicContact CE1-CD1 4.2Å; F24-I66 HydrophobicContact CE1-CG1 4.25Å; F24-V140 HydrophobicContact CB-CG1 4.35Å
25Y93.5Very high90.7Very high47 Ų4751.2 Ų51.218%0.18429%0.287CS..  trans-148.3167.6-178.866.5-84000111.8T23 G27 L33 K87 L118T23-Y25 HydrophobicContact CG2-CD1 3.8Å; T23-Y25 HydrophobicContact CG2-CE1 3.87Å; Y25-G27 PolarHBondContact O-N 3.46Å; Y25-L33 WeakPolarHBondContact O-CD2 3.47Å; Y25-K87 VanDerWaalsContact CB-CD 3.44Å; Y25-K87 HydrophobicContact CD2-CD 4Å; Y25-K87 HydrophobicContact CG-CD 3.76Å; Y25-L118 HydrophobicContact CD1-CD1 4.01Å; Y25-L118 HydrophobicContact CE1-CD1 3.85Å
26N89.6Confident92.3Very high76 Ų7649.6 Ų49.641%0.40626%0.264SS..  trans61.725.6-176.1-167.633.2000113.6Q28 N29 D59N26-Q28 PolarHBondContact O-N 3.37Å; N26-N29 PolarHBondContact O-N 3.01Å; N26-N29 PolarHBondContact OD1-ND2 3.06Å; N26-D59 PolarHBondContact N-OD2 3.12Å
27G88.4Confident93.4Very high0 Ų042.6 Ų42.60%023%0.227CC..G310 helixtrans-62.9-28178.500000113.5Y25 N29 N30Y25-G27 PolarHBondContact O-N 3.46Å; G27-N29 PolarHBondContact O-N 3.06Å; G27-N30 CarbonylContact O-C 3.32Å; G27-N30 PolarHBondContact O-N 2.9Å; G27-N30 VanDerWaalsContact O-N 3.14Å
28Q90.9Very high93.8Very high136 Ų13642.2 Ų42.264%0.63622%0.222SC*.G310 helixtrans-57.5-36.1-179.2-171.917415.700112.9N26 F61N26-Q28 PolarHBondContact O-N 3.37Å; Q28-F61 HydrophobicContact CB-CD1 4.06Å; Q28-F61 HydrophobicContact CB-CD2 3.82Å; Q28-F61 HydrophobicContact CB-CE1 4.27Å; Q28-F61 HydrophobicContact CB-CE2 4.01Å; Q28-F61 HydrophobicContact CB-CG 3.85Å; Q28-F61 HydrophobicContact CB-CZ 4.24Å; Q28-F61 HydrophobicContact CG-CD2 4.05Å; Q28-F61 HydrophobicContact CG-CE2 4.1Å
29N90.3Very high93.7Very high122 Ų12247 Ų4765%0.65224%0.243SC*.G310 helixtrans-104.33.2-177.3-57.2-52.2000112.7N26 G27N26-N29 PolarHBondContact O-N 3.01Å; N26-N29 PolarHBondContact OD1-ND2 3.06Å; G27-N29 PolarHBondContact O-N 3.06Å
30N91.6Very high93.7Very high65 Ų6546.7 Ų46.735%0.34824%0.239SC..  trans-137.482.2-174.1-168.9-14.6000111.3G27 K32 L33 L34G27-N30 CarbonylContact O-C 3.32Å; G27-N30 PolarHBondContact O-N 2.9Å; G27-N30 VanDerWaalsContact O-N 3.14Å; N30-K32 PolarHBondContact O-N 3.32Å; N30-K32 VanDerWaalsContact O-N 3.16Å; N30-K32 PolarHBondContact OD1-N 3.18Å; N30-L33 HydrophobicContact CB-CB 3.92Å; N30-L33 VanDerWaalsContact O-CB 3.29Å; N30-L33 WeakPolarHBondContact O-CB 3.36Å; N30-L33 PolarHBondContact O-N 3.25Å; N30-L33 PolarHBondContact OD1-N 2.96Å; N30-L33 VanDerWaalsContact OD1-N 3.16Å; N30-L34 PolarHBondContact O-N 3.2Å
31P91.2Very high93.5Very high99 Ų9946.7 Ų46.764%0.64324%0.239SC*.Hα-helixtrans-57.2-31.4179.1-26.134.9000113.6L33 L34 N35P31-L33 VanDerWaalsContact C-N 3.31Å; P31-L33 PolarHBondContact O-N 3.44Å; P31-L34 WeakPolarHBondContact O-CB 3.47Å; P31-L34 PolarHBondContact O-N 3.47Å; P31-N35 PolarHBondContact O-N 3.05Å
32K91.7Very high93.2Very high86 Ų8649.5 Ų49.537%0.37426%0.257SS..Hα-helixtrans-64.2-38.7176.8-173177.1-175.4-179.40111.5N30 L34 N35 N36 N300N30-K32 PolarHBondContact O-N 3.32Å; N30-K32 VanDerWaalsContact O-N 3.16Å; N30-K32 PolarHBondContact OD1-N 3.18Å; K32-L34 VanDerWaalsContact C-N 3.33Å; K32-L34 PolarHBondContact O-N 2.89Å; K32-N35 PolarHBondContact O-N 2.95Å; K32-N36 WeakPolarHBondContact O-CB 3.4Å; K32-N36 PolarHBondContact O-N 3.3Å; K32-N36 PolarHBondContact O-OD1 3.05Å; K32-N300 WeakPolarHBondContact CE-OD1 3.18Å; K32-N300 VanDerWaalsContact NZ-CG 3.29Å; K32-N300 PolarHBondContact NZ-O 3.44Å; K32-N300 VanDerWaalsContact NZ-O 3.16Å; K32-N300 PolarHBondContact NZ-OD1 3.48Å
33L93.3Very high93.1Very high31 Ų3150 Ų5016%0.16226%0.26CS..Hα-helixtrans-63-40.1177-17167.5000111.8F24 Y25 N30 P31 N35 N36 F37 V140F24-L33 HydrophobicContact CD2-CD2 4.12Å; F24-L33 HydrophobicContact CD2-CG 3.89Å; F24-L33 HydrophobicContact CE2-CD2 4.18Å; F24-L33 HydrophobicContact CE2-CG 3.83Å; Y25-L33 WeakPolarHBondContact O-CD2 3.47Å; N30-L33 HydrophobicContact CB-CB 3.92Å; N30-L33 VanDerWaalsContact O-CB 3.29Å; N30-L33 WeakPolarHBondContact O-CB 3.36Å; N30-L33 PolarHBondContact O-N 3.25Å; N30-L33 PolarHBondContact OD1-N 2.96Å; N30-L33 VanDerWaalsContact OD1-N 3.16Å; P31-L33 VanDerWaalsContact C-N 3.31Å; P31-L33 PolarHBondContact O-N 3.44Å; L33-N35 VanDerWaalsContact C-N 3.35Å; L33-N36 PolarHBondContact O-N 3.31Å; L33-F37 WeakPolarHBondContact O-CB 3.34Å; L33-F37 PolarHBondContact O-N 2.86Å; L33-V140 HydrophobicContact CD1-CG2 3.55Å
34L94.4Very high92.9Very high34 Ų3447.9 Ų47.918%0.17825%0.248CC..Hα-helixtrans-59.3-47.9174.9-52.8-175.2000111F24 N30 P31 K32 F37 L38 F61 F65F24-L34 HydrophobicContact CE2-CD2 4.03Å; F24-L34 HydrophobicContact CZ-CD2 3.53Å; N30-L34 PolarHBondContact O-N 3.2Å; P31-L34 WeakPolarHBondContact O-CB 3.47Å; P31-L34 PolarHBondContact O-N 3.47Å; K32-L34 VanDerWaalsContact C-N 3.33Å; K32-L34 PolarHBondContact O-N 2.89Å; L34-F37 PolarHBondContact O-N 2.62Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.03Å; L34-F61 HydrophobicContact CD2-CE1 3.93Å; L34-F65 HydrophobicContact CB-CE1 4.36Å; L34-F65 HydrophobicContact CB-CE2 4.15Å; L34-F65 HydrophobicContact CB-CZ 3.8Å; L34-F65 HydrophobicContact CD1-CD2 4.49Å; L34-F65 HydrophobicContact CD1-CE2 4.16Å; L34-F65 HydrophobicContact CD2-CD1 4.28Å; L34-F65 HydrophobicContact CD2-CD2 4.31Å; L34-F65 HydrophobicContact CD2-CE1 4.23Å; L34-F65 HydrophobicContact CD2-CE2 4.26Å; L34-F65 HydrophobicContact CD2-CG 4.31Å; L34-F65 HydrophobicContact CD2-CZ 4.21Å; L34-F65 HydrophobicContact CG-CE2 4.43Å; L34-F65 HydrophobicContact CG-CZ 4.43Å
35N93.3Very high92.8Very high71 Ų7148.1 Ų48.138%0.3825%0.249SC..Hα-helixtrans-65.6-40.8178.7174.275.5000112.3P31 K32 L33 L38 K39P31-N35 PolarHBondContact O-N 3.05Å; K32-N35 PolarHBondContact O-N 2.95Å; L33-N35 VanDerWaalsContact C-N 3.35Å; N35-L38 PolarHBondContact O-N 3.2Å; N35-K39 WeakPolarHBondContact ND2-CE 3.24Å; N35-K39 WeakPolarHBondContact O-CB 3.3Å; N35-K39 VanDerWaalsContact O-CG 3.3Å; N35-K39 WeakPolarHBondContact O-CG 3.42Å; N35-K39 PolarHBondContact O-N 3.19Å; N35-K39 WeakPolarHBondContact OD1-CE 3.4Å
36N95.4Very high92.7Very high26 Ų2652.1 Ų52.114%0.13927%0.273CS..Hα-helixtrans-61.2-48.9175.5-77.36.8000110.7K32 L33 L38 K39 C40 V140K32-N36 WeakPolarHBondContact O-CB 3.4Å; K32-N36 PolarHBondContact O-N 3.3Å; K32-N36 PolarHBondContact O-OD1 3.05Å; L33-N36 PolarHBondContact O-N 3.31Å; N36-L38 PolarHBondContact O-N 2.67Å; N36-K39 PolarHBondContact O-N 3.44Å; N36-C40 VanDerWaalsContact O-CB 3.3Å; N36-C40 WeakPolarHBondContact O-CB 3.49Å; N36-C40 PolarHBondContact O-N 2.89Å; N36-V140 CarbonylContact C-O 3.59Å; N36-V140 WeakPolarHBondContact CB-O 3.46Å
37F95.3Very high92.8Very high0 Ų051.9 Ų51.90%027%0.269CS..Hα-helixtrans-55.8-50.6176.4178.2-87.3000111.9L22 F24 L33 L34 K39 C40 V41 V56 F65 I66 V140L22-F37 HydrophobicContact CD1-CD2 4.29Å; L22-F37 HydrophobicContact CD1-CE2 3.8Å; F24-F37 HydrophobicContact CB-CD2 3.79Å; F24-F37 HydrophobicContact CB-CE2 4.09Å; F24-F37 HydrophobicContact CD1-CD2 4.09Å; F24-F37 HydrophobicContact CD1-CE2 4.3Å; F24-F37 HydrophobicContact CD1-CG 4.42Å; F24-F37 HydrophobicContact CD2-CB 3.7Å; F24-F37 AromaticContact CD2-CD2 3.73Å; F24-F37 HydrophobicContact CD2-CD2 3.73Å; F24-F37 AromaticContact CD2-CG 3.88Å; F24-F37 HydrophobicContact CD2-CG 3.88Å; F24-F37 HydrophobicContact CE1-CG 4.48Å; F24-F37 HydrophobicContact CE2-CB 3.58Å; F24-F37 HydrophobicContact CE2-CD2 4.28Å; F24-F37 AromaticContact CE2-CG 3.95Å; F24-F37 HydrophobicContact CE2-CG 3.95Å; F24-F37 HydrophobicContact CG-CB 4.42Å; F24-F37 AromaticContact CG-CD2 3.6Å; F24-F37 HydrophobicContact CG-CD2 3.6Å; F24-F37 HydrophobicContact CG-CE2 4.12Å; F24-F37 HydrophobicContact CG-CG 4.1Å; F24-F37 HydrophobicContact CZ-CB 4.21Å; F24-F37 HydrophobicContact CZ-CG 4.24Å; L33-F37 WeakPolarHBondContact O-CB 3.34Å; L33-F37 PolarHBondContact O-N 2.86Å; L34-F37 PolarHBondContact O-N 2.62Å; F37-K39 PolarHBondContact O-N 2.66Å; F37-C40 PolarHBondContact O-N 3.06Å; F37-V41 HydrophobicContact CD1-CG2 4.29Å; F37-V41 HydrophobicContact CD2-CG2 4.36Å; F37-V41 HydrophobicContact CE1-CG2 3.85Å; F37-V41 HydrophobicContact CE2-CG2 3.96Å; F37-V41 HydrophobicContact CZ-CG2 3.67Å; F37-V41 WeakPolarHBondContact O-CG2 3.18Å; F37-V41 PolarHBondContact O-N 2.75Å; F37-V56 HydrophobicContact CE2-CG1 4.49Å; F37-F65 HydrophobicContact CD1-CE1 4.08Å; F37-I66 HydrophobicContact CD1-CG1 4.47Å; F37-I66 HydrophobicContact CE1-CD1 4.05Å; F37-I66 HydrophobicContact CE1-CG1 3.61Å; F37-I66 HydrophobicContact CE2-CD1 3.92Å; F37-I66 HydrophobicContact CE2-CG1 4.39Å; F37-I66 HydrophobicContact CZ-CD1 3.46Å; F37-I66 VanDerWaalsContact CZ-CD1 3.46Å; F37-I66 HydrophobicContact CZ-CG1 3.56Å; F37-V140 HydrophobicContact CD2-CG1 4.24Å
38L93.7Very high92.9Very high39 Ų3952.7 Ų52.720%0.20427%0.274CS..Hα-helixtrans-60.9-46.8178.6-71.5177.8000111.6L34 N35 N36 C40 V41 T42 F65 L75L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.03Å; N35-L38 PolarHBondContact O-N 3.2Å; N36-L38 PolarHBondContact O-N 2.67Å; L38-C40 VanDerWaalsContact C-N 3.34Å; L38-C40 PolarHBondContact O-N 2.9Å; L38-V41 PolarHBondContact O-N 3.03Å; L38-T42 WeakPolarHBondContact O-CB 3.29Å; L38-T42 PolarHBondContact O-N 2.94Å; L38-T42 PolarHBondContact O-OG1 3.48Å; L38-F65 HydrophobicContact CD1-CZ 3.8Å; L38-F65 HydrophobicContact CD2-CE1 4.21Å; L38-F65 HydrophobicContact CD2-CZ 4.1Å; L38-F65 HydrophobicContact CG-CE1 4.17Å; L38-F65 HydrophobicContact CG-CZ 3.81Å; L38-L75 HydrophobicContact CD2-CD2 3.99Å
39K93.3Very high92.9Very high102 Ų10249.3 Ų49.344%0.44327%0.266SS..Hα-helixtrans-60.1-44.3177.7-75.6-176.6175.6-161.50112.1N35 N36 F37 S43N35-K39 WeakPolarHBondContact ND2-CE 3.24Å; N35-K39 WeakPolarHBondContact O-CB 3.3Å; N35-K39 VanDerWaalsContact O-CG 3.3Å; N35-K39 WeakPolarHBondContact O-CG 3.42Å; N35-K39 PolarHBondContact O-N 3.19Å; N35-K39 WeakPolarHBondContact OD1-CE 3.4Å; N36-K39 PolarHBondContact O-N 3.44Å; F37-K39 PolarHBondContact O-N 2.66Å; K39-S43 VanDerWaalsContact O-CB 3.25Å; K39-S43 WeakPolarHBondContact O-CB 3.4Å; K39-S43 PolarHBondContact O-N 2.79Å; K39-S43 PolarHBondContact O-OG 3.14Å
40C95.9Very high92.8Very high0 Ų043.9 Ų43.90%024%0.237CC..Hα-helixtrans-60-56.3177.7179.50000110.5N36 F37 L38 S43 L44 V140 L142N36-C40 VanDerWaalsContact O-CB 3.3Å; N36-C40 WeakPolarHBondContact O-CB 3.49Å; N36-C40 PolarHBondContact O-N 2.89Å; F37-C40 PolarHBondContact O-N 3.06Å; L38-C40 VanDerWaalsContact C-N 3.34Å; L38-C40 PolarHBondContact O-N 2.9Å; C40-S43 PolarHBondContact O-N 3.3Å; C40-S43 PolarHBondContact O-OG 3.35Å; C40-L44 VanDerWaalsContact O-CB 3.28Å; C40-L44 WeakPolarHBondContact O-CB 3.4Å; C40-L44 PolarHBondContact O-N 3Å; C40-V140 WeakPolarHBondContact CB-O 3.03Å; C40-L142 VanDerWaalsContact CA-O 3.27Å; C40-L142 WeakPolarHBondContact CA-O 3.31Å; C40-L142 WeakPolarHBondContact CB-O 3.36Å
41V94.7Very high92.8Very high0 Ų041.2 Ų41.20%022%0.223CC..Hα-helixtrans-66.2-43.6-177.3-178.90000111.5L22 F37 L38 S43 L44 M45 L54 L75L22-V41 HydrophobicContact CD1-CG2 3.68Å; F37-V41 HydrophobicContact CD1-CG2 4.29Å; F37-V41 HydrophobicContact CD2-CG2 4.36Å; F37-V41 HydrophobicContact CE1-CG2 3.85Å; F37-V41 HydrophobicContact CE2-CG2 3.96Å; F37-V41 HydrophobicContact CZ-CG2 3.67Å; F37-V41 WeakPolarHBondContact O-CG2 3.18Å; F37-V41 PolarHBondContact O-N 2.75Å; L38-V41 PolarHBondContact O-N 3.03Å; V41-S43 PolarHBondContact O-N 3.12Å; V41-L44 WeakPolarHBondContact O-CB 3.33Å; V41-L44 PolarHBondContact O-N 3.46Å; V41-M45 HydrophobicContact CG1-CE 4.02Å; V41-M45 HydrophobicContact CG1-CG 4.1Å; V41-M45 WeakPolarHBondContact O-CB 3.41Å; V41-M45 WeakPolarHBondContact O-CG 3.17Å; V41-M45 PolarHBondContact O-N 2.63Å; V41-L54 HydrophobicContact CG1-CD2 4.13Å; V41-L54 HydrophobicContact CG2-CD2 4.13Å; V41-L75 HydrophobicContact CB-CD2 4.1Å; V41-L75 HydrophobicContact CG1-CD1 4.05Å; V41-L75 HydrophobicContact CG1-CD2 3.87Å; V41-L75 HydrophobicContact CG1-CG 4.48Å
42T92.6Very high92.9Very high61 Ų6136.5 Ų36.537%0.37419%0.192SC..Hα-helixtrans-62.3-43.6177.7-60.50000111.6L38 M45 L46L38-T42 WeakPolarHBondContact O-CB 3.29Å; L38-T42 PolarHBondContact O-N 2.94Å; L38-T42 PolarHBondContact O-OG1 3.48Å; T42-M45 PolarHBondContact O-N 3.44Å; T42-L46 VanDerWaalsContact O-CB 3.24Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 2.83Å
43S94.3Very high93Very high10 Ų1033.6 Ų33.67%0.0718%0.18CC..Hα-helixtrans-66-39177.268.40000112.4K39 C40 V41 L46 H47 K143 F144K39-S43 VanDerWaalsContact O-CB 3.25Å; K39-S43 WeakPolarHBondContact O-CB 3.4Å; K39-S43 PolarHBondContact O-N 2.79Å; K39-S43 PolarHBondContact O-OG 3.14Å; C40-S43 PolarHBondContact O-N 3.3Å; C40-S43 PolarHBondContact O-OG 3.35Å; V41-S43 PolarHBondContact O-N 3.12Å; S43-L46 PolarHBondContact O-N 2.76Å; S43-H47 PolarHBondContact O-CD2 2.85Å; S43-H47 VanDerWaalsContact O-CD2 3.24Å; S43-H47 PolarHBondContact O-N 3.47Å; S43-K143 WeakPolarHBondContact OG-CA 3.48Å; S43-F144 PolarHBondContact OG-N 3Å
44L93.7Very high93.1Very high0 Ų032.1 Ų32.10%017%0.173CC..Hα-helixtrans-59.3-49.9173.9174.369.9000111.1I20 C40 V41 H47 S48 I52 F144 V148I20-L44 HydrophobicContact CD1-CD1 3.78Å; I20-L44 HydrophobicContact CD1-CD2 3.6Å; I20-L44 HydrophobicContact CD1-CG 4.19Å; I20-L44 HydrophobicContact CG2-CD2 4.49Å; C40-L44 VanDerWaalsContact O-CB 3.28Å; C40-L44 WeakPolarHBondContact O-CB 3.4Å; C40-L44 PolarHBondContact O-N 3Å; V41-L44 WeakPolarHBondContact O-CB 3.33Å; V41-L44 PolarHBondContact O-N 3.46Å; L44-H47 PolarHBondContact O-N 3.18Å; L44-S48 WeakPolarHBondContact O-CB 3.37Å; L44-S48 PolarHBondContact O-N 3.27Å; L44-S48 VanDerWaalsContact O-N 3.17Å; L44-I52 HydrophobicContact CD1-CD1 4.37Å; L44-I52 HydrophobicContact CD2-CD1 4.29Å; L44-I52 HydrophobicContact CG-CD1 3.95Å; L44-F144 HydrophobicContact CB-CD2 4.08Å; L44-F144 HydrophobicContact CB-CG 4.36Å; L44-F144 HydrophobicContact CD1-CD1 3.95Å; L44-F144 HydrophobicContact CD1-CD2 4.12Å; L44-F144 HydrophobicContact CD1-CE1 3.9Å; L44-F144 HydrophobicContact CD1-CE2 4.09Å; L44-F144 HydrophobicContact CD1-CG 4.08Å; L44-F144 HydrophobicContact CD1-CZ 3.99Å; L44-V148 HydrophobicContact CD1-CB 3.61Å; L44-V148 HydrophobicContact CD1-CG1 3.89Å; L44-V148 HydrophobicContact CD1-CG2 3.8Å
45M91.3Very high93.2Very high6 Ų630.9 Ų30.93%0.0317%0.166CC..Hα-helixtrans-68.5-34.6-179.5-64.3-57.7163.200112.5V41 T42 H47 S48 I52 N77 F80V41-M45 HydrophobicContact CG1-CE 4.02Å; V41-M45 HydrophobicContact CG1-CG 4.1Å; V41-M45 WeakPolarHBondContact O-CB 3.41Å; V41-M45 WeakPolarHBondContact O-CG 3.17Å; V41-M45 PolarHBondContact O-N 2.63Å; T42-M45 PolarHBondContact O-N 3.44Å; M45-H47 VanDerWaalsContact C-N 3.26Å; M45-H47 PolarHBondContact O-N 3.09Å; M45-S48 PolarHBondContact O-N 3.19Å; M45-I52 HydrophobicContact CE-CB 4.06Å; M45-I52 HydrophobicContact CE-CD1 3.9Å; M45-I52 HydrophobicContact CE-CG2 3.82Å; M45-I52 HydrophobicContact SD-CB 4.35Å; M45-I52 HydrophobicContact SD-CD1 3.56Å; M45-I52 VanDerWaalsContact SD-CD1 3.56Å; M45-N77 HydrophobicContact CB-CB 4.18Å; M45-N77 PolarHBondContact O-ND2 3.43Å; M45-F80 HydrophobicContact CE-CB 3.6Å; M45-F80 HydrophobicContact CE-CD1 4.16Å; M45-F80 HydrophobicContact CE-CD2 3.71Å; M45-F80 HydrophobicContact CE-CE2 4.42Å; M45-F80 HydrophobicContact CE-CG 3.55Å; M45-F80 HydrophobicContact SD-CB 3.77Å; M45-F80 HydrophobicContact SD-CD1 3.92Å; M45-F80 HydrophobicContact SD-CG 3.83Å
46L90.9Very high93.4Very high131 Ų13127.5 Ų27.569%0.68615%0.148SC*.Hα-helixtrans-61-35.8179.1178.864.5000112.3T42 S43T42-L46 VanDerWaalsContact O-CB 3.24Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 2.83Å; S43-L46 PolarHBondContact O-N 2.76Å
47H91.8Very high93.5Very high71 Ų7126.3 Ų26.333%0.32914%0.142SC..Hα-helixtrans-98.5-10-177.1-68.4-68.1000114.1S43 L44 M45 S49 F144 D147S43-H47 PolarHBondContact O-CD2 2.85Å; S43-H47 VanDerWaalsContact O-CD2 3.24Å; S43-H47 PolarHBondContact O-N 3.47Å; L44-H47 PolarHBondContact O-N 3.18Å; M45-H47 VanDerWaalsContact C-N 3.26Å; M45-H47 PolarHBondContact O-N 3.09Å; H47-S49 PolarHBondContact O-N 2.95Å; H47-F144 PolarHBondContact CD2-O 3.25Å; H47-F144 VanDerWaalsContact CD2-O 3.27Å; H47-F144 PolarHBondContact NE2-O 3.37Å; H47-D147 VanDerWaalsContact O-CA 3.28Å; H47-D147 WeakPolarHBondContact O-CA 3.41Å; H47-D147 VanDerWaalsContact O-CB 3.3Å; H47-D147 WeakPolarHBondContact O-CB 3.38Å
48S91.6Very high93.6Very high16 Ų1626.5 Ų26.511%0.11214%0.143CC..  trans-72.8128.5-175.2-171.10000112.5L44 M45 S50 I52L44-S48 WeakPolarHBondContact O-CB 3.37Å; L44-S48 PolarHBondContact O-N 3.27Å; L44-S48 VanDerWaalsContact O-N 3.17Å; M45-S48 PolarHBondContact O-N 3.19Å; S48-S50 PolarHBondContact OG-N 3.27Å; S48-S50 PolarHBondContact OG-O 3.42Å; S48-I52 WeakPolarHBondContact OG-CD1 3.01Å
49S90.7Very high93.7Very high65 Ų6525.9 Ų25.946%0.45514%0.14SC..  trans-94.4-5.5167.969.50000113.8H47 D147H47-S49 PolarHBondContact O-N 2.95Å; S49-D147 WeakPolarHBondContact CB-OD2 3.44Å; S49-D147 PolarHBondContact N-OD1 3.39Å; S49-D147 PolarHBondContact OG-OD2 3.25Å
50S88.8Confident93.8Very high8 Ų829.3 Ų29.36%0.05616%0.155CC..SBendtrans-119.9158.9-172.9-59.20000111.5S48 I52 K149S48-S50 PolarHBondContact OG-N 3.27Å; S48-S50 PolarHBondContact OG-O 3.42Å; S50-I52 PolarHBondContact O-N 2.98Å; S50-K149 WeakPolarHBondContact OG-CD 3.48Å; S50-K149 WeakPolarHBondContact OG-CE 3.44Å; S50-K149 PolarHBondContact OG-NZ 3.4Å
51F91.3Very high93.9Very high10 Ų1031.9 Ų31.94%0.04417%0.166CC..  trans-65.1130170.7-171.1-89.1000110.1Y14 P17 V18 N79 Q81Y14-F51 HydrophobicContact CD1-CB 4.3Å; Y14-F51 HydrophobicContact CD2-CB 3.72Å; Y14-F51 AromaticContact CD2-CD2 3.98Å; Y14-F51 HydrophobicContact CD2-CD2 3.98Å; Y14-F51 HydrophobicContact CD2-CG 4.22Å; Y14-F51 HydrophobicContact CE2-CD2 4.24Å; Y14-F51 HydrophobicContact CG-CB 3.6Å; P17-F51 WeakPolarHBondContact CA-O 3.37Å; P17-F51 HydrophobicContact CB-CD1 3.73Å; P17-F51 HydrophobicContact CB-CE1 4.5Å; V18-F51 PolarHBondContact N-O 3.02Å; F51-N79 CarbonylContact C-O 3.58Å; F51-N79 VanDerWaalsContact CA-O 3.29Å; F51-N79 WeakPolarHBondContact CA-O 3.43Å; F51-Q81 HydrophobicContact CE1-CB 4.27Å; F51-Q81 HydrophobicContact CE1-CG 3.76Å; F51-Q81 HydrophobicContact CZ-CB 3.89Å; F51-Q81 HydrophobicContact CZ-CG 3.9Å
52I92.9Very high93.9Very high0 Ų031.9 Ų31.90%017%0.166CC..EExtended strand (participates in β ladder)trans-104.9126.3179.7-69.7166.2000109.7V18 I20 L44 M45 S48 S50 L54 N79 F80 Q81 V148V18-I52 HydrophobicContact CB-CG1 4.49Å; I20-I52 HydrophobicContact CD1-CD1 4.4Å; I20-I52 HydrophobicContact CD1-CG1 4.35Å; I20-I52 HydrophobicContact CD1-CG2 3.87Å; I20-I52 HydrophobicContact CG1-CG2 4.4Å; L44-I52 HydrophobicContact CD1-CD1 4.37Å; L44-I52 HydrophobicContact CD2-CD1 4.29Å; L44-I52 HydrophobicContact CG-CD1 3.95Å; M45-I52 HydrophobicContact CE-CB 4.06Å; M45-I52 HydrophobicContact CE-CD1 3.9Å; M45-I52 HydrophobicContact CE-CG2 3.82Å; M45-I52 HydrophobicContact SD-CB 4.35Å; M45-I52 HydrophobicContact SD-CD1 3.56Å; M45-I52 VanDerWaalsContact SD-CD1 3.56Å; S48-I52 WeakPolarHBondContact OG-CD1 3.01Å; S50-I52 PolarHBondContact O-N 2.98Å; I52-L54 HydrophobicContact CG2-CB 4.25Å; I52-N79 PolarHBondContact N-O 3.41Å; I52-F80 HydrophobicContact CB-CB 3.95Å; I52-F80 HydrophobicContact CG2-CB 4.46Å; I52-F80 CarbonylContact O-C 3.57Å; I52-F80 WeakPolarHBondContact O-CA 3.16Å; I52-F80 VanDerWaalsContact O-CB 3.3Å; I52-F80 WeakPolarHBondContact O-CB 3.05Å; I52-Q81 PolarHBondContact O-N 2.8Å; I52-V148 HydrophobicContact CD1-CG1 4.04Å; I52-V148 HydrophobicContact CG1-CG1 4.32Å
53N93.6Very high94.1Very high24 Ų2433.3 Ų33.313%0.12817%0.167CC..EExtended strand (participates in β ladder)trans-95.9102164.3-169.76.3000108.8P17 V18 I20 H55 Q81 T83P17-N53 HydrophobicContact CB-CB 4.43Å; V18-N53 PolarHBondContact O-N 3.23Å; I20-N53 PolarHBondContact N-O 3.26Å; N53-H55 PolarHBondContact ND2-CE1 3.02Å; N53-H55 PolarHBondContact ND2-NE2 2.74Å; N53-H55 VanDerWaalsContact ND2-NE2 3.19Å; N53-H55 PolarHBondContact O-CD2 3.05Å; N53-H55 PolarHBondContact O-N 3.24Å; N53-Q81 HydrophobicContact CB-CG 4.31Å; N53-Q81 VanDerWaalsContact CG-NE2 3.25Å; N53-Q81 PolarHBondContact ND2-NE2 2.8Å; N53-Q81 WeakPolarHBondContact OD1-CG 3.23Å; N53-Q81 PolarHBondContact OD1-NE2 3.48Å; N53-Q81 VanDerWaalsContact OD1-NE2 3.16Å; N53-T83 PolarHBondContact OD1-OG1 3.29Å
54L94.9Very high94.2Very high0 Ų039.4 Ų39.40%019%0.189CC..EExtended strand (participates in β ladder)trans-89.599.8-177.7-169.963.7000110.4I20 L22 V41 I52 V56 Q81 V82 T83I20-L54 HydrophobicContact CB-CD1 4.05Å; I20-L54 HydrophobicContact CG2-CD1 3.79Å; L22-L54 HydrophobicContact CD1-CD1 3.81Å; L22-L54 HydrophobicContact CD1-CD2 4.42Å; L22-L54 HydrophobicContact CG-CD1 4.12Å; V41-L54 HydrophobicContact CG1-CD2 4.13Å; V41-L54 HydrophobicContact CG2-CD2 4.13Å; I52-L54 HydrophobicContact CG2-CB 4.25Å; L54-V56 HydrophobicContact CD2-CG2 4.1Å; L54-V56 HydrophobicContact CG-CG2 3.79Å; L54-Q81 WeakPolarHBondContact CB-O 3.28Å; L54-Q81 PolarHBondContact N-O 3.37Å; L54-V82 HydrophobicContact CB-CG2 4.47Å; L54-V82 CarbonylContact O-C 3.55Å; L54-V82 VanDerWaalsContact O-CA 3.27Å; L54-V82 WeakPolarHBondContact O-CA 3.4Å; L54-T83 PolarHBondContact O-N 3Å
55H97.2Very high94.3Very high9 Ų940.9 Ų40.94%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-79.2124.3170.6-60.7-89.2000109.4I20 M21 L22 N53 T83 Y85I20-H55 WeakPolarHBondContact O-CA 3.46Å; I20-H55 WeakPolarHBondContact O-CB 3.34Å; I20-H55 PolarHBondContact O-N 3.11Å; M21-H55 CarbonylContact C-O 3.53Å; M21-H55 WeakPolarHBondContact CA-O 3.05Å; M21-H55 HydrophobicContact CE-CB 3.48Å; M21-H55 VanDerWaalsContact CE-CB 3.48Å; M21-H55 HydrophobicContact SD-CB 3.62Å; L22-H55 PolarHBondContact N-O 2.91Å; N53-H55 PolarHBondContact ND2-CE1 3.02Å; N53-H55 PolarHBondContact ND2-NE2 2.74Å; N53-H55 VanDerWaalsContact ND2-NE2 3.19Å; N53-H55 PolarHBondContact O-CD2 3.05Å; N53-H55 PolarHBondContact O-N 3.24Å; H55-T83 CarbonylContact C-O 3.55Å; H55-T83 WeakPolarHBondContact CA-O 3.21Å; H55-Y85 HydrophobicContact CB-CD2 4.41Å; H55-Y85 HydrophobicContact CB-CE2 3.7Å; H55-Y85 AromaticContact CG-CE2 3.97Å; H55-Y85 AromaticContact ND1-CE2 3.46Å; H55-Y85 WeakPolarHBondContact ND1-CE2 3.16Å; H55-Y85 AromaticContact ND1-CZ 3.62Å; H55-Y85 PolarHBondContact ND1-OH 3.34Å
56V97.7Very high94.5Very high0 Ų040.6 Ų40.60%019%0.194CC..EExtended strand (participates in β ladder)trans-127116-178.3-168.40000111L22 F24 F37 L54 T58 I66 V82 T83 F84 Y85L22-V56 WeakPolarHBondContact O-CA 3.28Å; F24-V56 HydrophobicContact CB-CG1 4.29Å; F37-V56 HydrophobicContact CE2-CG1 4.49Å; L54-V56 HydrophobicContact CD2-CG2 4.1Å; L54-V56 HydrophobicContact CG-CG2 3.79Å; V56-T58 HydrophobicContact CG1-CG2 4.39Å; V56-I66 HydrophobicContact CB-CD1 4.39Å; V56-I66 HydrophobicContact CG1-CD1 3.75Å; V56-I66 HydrophobicContact CG2-CD1 4.37Å; V56-V82 HydrophobicContact CG2-CG1 3.81Å; V56-T83 PolarHBondContact N-O 3.4Å; V56-F84 HydrophobicContact CB-CD1 4.25Å; V56-F84 WeakPolarHBondContact O-CA 3.31Å; V56-Y85 PolarHBondContact O-N 3.04Å
57I98Very high94.6Very high0 Ų038.9 Ų38.90%018%0.182CC..EExtended strand (participates in β ladder)trans-84.4115.5168.7-57.8160.2000108M21 L22 T23 F24 Y85 K87 I90 L118 T121M21-I57 HydrophobicContact CE-CD1 4.42Å; M21-I57 HydrophobicContact CG-CD1 4.25Å; M21-I57 HydrophobicContact SD-CD1 3.66Å; M21-I57 HydrophobicContact SD-CG1 3.67Å; L22-I57 PolarHBondContact O-N 3.14Å; T23-I57 HydrophobicContact CG2-CB 4.42Å; F24-I57 PolarHBondContact N-O 3.34Å; I57-Y85 WeakPolarHBondContact CA-O 3.34Å; I57-K87 HydrophobicContact CG2-CB 3.93Å; I57-I90 HydrophobicContact CD1-CG2 3.92Å; I57-I90 HydrophobicContact CG1-CG1 4.26Å; I57-I90 HydrophobicContact CG1-CG2 4.44Å; I57-I90 HydrophobicContact CG2-CB 4.12Å; I57-I90 HydrophobicContact CG2-CG1 4.18Å; I57-I90 HydrophobicContact CG2-CG2 4.41Å; I57-L118 HydrophobicContact CG2-CD1 4.48Å; I57-L118 HydrophobicContact CG2-CD2 3.77Å; I57-T121 HydrophobicContact CD1-CG2 4.09Å
58T97.1Very high94.7Very high4 Ų440.8 Ų40.83%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-151.5168.5-169.8-166.40000113.6F24 V56 G62 K63 F84 Y85 K87F24-T58 VanDerWaalsContact O-CA 3.24Å; F24-T58 WeakPolarHBondContact O-CA 3.33Å; F24-T58 WeakPolarHBondContact O-CB 3.48Å; F24-T58 PolarHBondContact O-OG1 2.98Å; V56-T58 HydrophobicContact CG1-CG2 4.39Å; T58-G62 VanDerWaalsContact OG1-CA 3.29Å; T58-G62 WeakPolarHBondContact OG1-CA 3.48Å; T58-K63 HydrophobicContact CG2-CB 3.89Å; T58-K63 PolarHBondContact OG1-N 2.97Å; T58-F84 HydrophobicContact CG2-CD1 3.83Å; T58-F84 HydrophobicContact CG2-CE1 4.49Å; T58-Y85 PolarHBondContact N-O 3.26Å; T58-K87 WeakPolarHBondContact O-CB 3.31Å; T58-K87 PolarHBondContact O-N 3.24Å
59D95.5Very high94.7Very high27 Ų2740.3 Ų40.314%0.14419%0.187CC..  trans-91.8175.9168.658.434.9000111.8N26 F61 G62 K63 K87N26-D59 PolarHBondContact N-OD2 3.12Å; D59-F61 PolarHBondContact O-N 2.72Å; D59-F61 WeakPolarHBondContact OD1-CB 3.46Å; D59-F61 PolarHBondContact OD1-N 3.46Å; D59-F61 VanDerWaalsContact OD1-N 3.14Å; D59-G62 PolarHBondContact O-N 3.5Å; D59-G62 PolarHBondContact OD1-N 3.26Å; D59-K63 PolarHBondContact O-N 2.91Å; D59-K87 HydrophobicContact CB-CD 3.82Å; D59-K87 HydrophobicContact CB-CG 4.36Å
60K95.8Very high94.5Very high173 Ų17340 Ų4075%0.75218%0.183SC*.Hα-helixtrans-56.7-34.8178.8-65.8-178.3-178.8176.60113.1R64K60-R64 PolarHBondContact O-N 3.42Å
61F97Very high94.4Very high54 Ų5444.9 Ų44.924%0.23722%0.217CC..Hα-helixtrans-71-49.6178.7174.2-85.2000110.3Q28 L34 D59 K63 R64 F65Q28-F61 HydrophobicContact CB-CD1 4.06Å; Q28-F61 HydrophobicContact CB-CD2 3.82Å; Q28-F61 HydrophobicContact CB-CE1 4.27Å; Q28-F61 HydrophobicContact CB-CE2 4.01Å; Q28-F61 HydrophobicContact CB-CG 3.85Å; Q28-F61 HydrophobicContact CB-CZ 4.24Å; Q28-F61 HydrophobicContact CG-CD2 4.05Å; Q28-F61 HydrophobicContact CG-CE2 4.1Å; L34-F61 HydrophobicContact CD2-CE1 3.93Å; D59-F61 PolarHBondContact O-N 2.72Å; D59-F61 WeakPolarHBondContact OD1-CB 3.46Å; D59-F61 PolarHBondContact OD1-N 3.46Å; D59-F61 VanDerWaalsContact OD1-N 3.14Å; F61-K63 PolarHBondContact O-N 2.64Å; F61-R64 PolarHBondContact O-N 3.02Å; F61-F65 HydrophobicContact CE1-CB 4.22Å; F61-F65 WeakPolarHBondContact O-CB 3.2Å; F61-F65 PolarHBondContact O-N 3.09Å
62G96.3Very high94.2Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-63.2-39.9-17900000112.3T58 D59 R64 F65 I66T58-G62 VanDerWaalsContact OG1-CA 3.29Å; T58-G62 WeakPolarHBondContact OG1-CA 3.48Å; D59-G62 PolarHBondContact O-N 3.5Å; D59-G62 PolarHBondContact OD1-N 3.26Å; G62-R64 PolarHBondContact O-N 3.22Å; G62-F65 PolarHBondContact O-N 2.96Å; G62-I66 VanDerWaalsContact O-CG1 3.23Å; G62-I66 WeakPolarHBondContact O-CG1 3.46Å; G62-I66 PolarHBondContact O-N 2.61Å
63K96.5Very high93.7Very high92 Ų9249.4 Ų49.440%0.426%0.259SS..Hα-helixtrans-54.7-50.9170.9-179.5173-179.5174.50111.8T58 D59 F61 I66 Q67 F84T58-K63 HydrophobicContact CG2-CB 3.89Å; T58-K63 PolarHBondContact OG1-N 2.97Å; D59-K63 PolarHBondContact O-N 2.91Å; F61-K63 PolarHBondContact O-N 2.64Å; K63-I66 PolarHBondContact O-N 3.46Å; K63-Q67 VanDerWaalsContact O-CG 3.29Å; K63-Q67 WeakPolarHBondContact O-CG 3.34Å; K63-Q67 PolarHBondContact O-N 3.24Å; K63-F84 HydrophobicContact CB-CD1 4.24Å; K63-F84 HydrophobicContact CB-CE1 4.38Å; K63-F84 HydrophobicContact CD-CB 4.32Å; K63-F84 HydrophobicContact CD-CD2 4.35Å; K63-F84 HydrophobicContact CD-CG 4.17Å; K63-F84 HydrophobicContact CG-CD1 3.97Å; K63-F84 HydrophobicContact CG-CD2 4.15Å; K63-F84 HydrophobicContact CG-CE1 4.1Å; K63-F84 HydrophobicContact CG-CE2 4.28Å; K63-F84 HydrophobicContact CG-CG 3.98Å; K63-F84 HydrophobicContact CG-CZ 4.24Å
64R96.6Very high92.9Very high138 Ų13853 Ų5352%0.52128%0.278SS..Hα-helixtrans-61.4-47.9178.8-174.3-172-55.41414.5111.4K60 F61 G62 I66 Q67 E68K60-R64 PolarHBondContact O-N 3.42Å; F61-R64 PolarHBondContact O-N 3.02Å; G62-R64 PolarHBondContact O-N 3.22Å; R64-I66 VanDerWaalsContact C-N 3.3Å; R64-I66 PolarHBondContact O-N 2.9Å; R64-Q67 PolarHBondContact O-N 3.42Å; R64-E68 VanDerWaalsContact CD-OE1 3.28Å; R64-E68 WeakPolarHBondContact CD-OE1 3.36Å; R64-E68 HydrophobicContact CG-CG 4.25Å; R64-E68 VanDerWaalsContact CG-OE1 3.23Å; R64-E68 WeakPolarHBondContact CG-OE1 3.44Å; R64-E68 WeakPolarHBondContact O-CB 3.4Å; R64-E68 WeakPolarHBondContact O-CG 3.38Å; R64-E68 PolarHBondContact O-N 2.02Å
65F95.9Very high92Very high30 Ų3053.3 Ų53.313%0.13228%0.28CS..Hα-helixtrans-56-43.9178.8171-98.8000112.1F24 L34 F37 L38 F61 G62 S69F24-F65 AromaticContact CE1-CD1 3.74Å; F24-F65 HydrophobicContact CE1-CD1 3.74Å; F24-F65 HydrophobicContact CE1-CE1 4.35Å; F24-F65 AromaticContact CZ-CD1 3.66Å; F24-F65 HydrophobicContact CZ-CD1 3.66Å; F24-F65 AromaticContact CZ-CE1 3.91Å; F24-F65 HydrophobicContact CZ-CE1 3.91Å; L34-F65 HydrophobicContact CB-CE1 4.36Å; L34-F65 HydrophobicContact CB-CE2 4.15Å; L34-F65 HydrophobicContact CB-CZ 3.8Å; L34-F65 HydrophobicContact CD1-CD2 4.49Å; L34-F65 HydrophobicContact CD1-CE2 4.16Å; L34-F65 HydrophobicContact CD2-CD1 4.28Å; L34-F65 HydrophobicContact CD2-CD2 4.31Å; L34-F65 HydrophobicContact CD2-CE1 4.23Å; L34-F65 HydrophobicContact CD2-CE2 4.26Å; L34-F65 HydrophobicContact CD2-CG 4.31Å; L34-F65 HydrophobicContact CD2-CZ 4.21Å; L34-F65 HydrophobicContact CG-CE2 4.43Å; L34-F65 HydrophobicContact CG-CZ 4.43Å; F37-F65 HydrophobicContact CD1-CE1 4.08Å; L38-F65 HydrophobicContact CD1-CZ 3.8Å; L38-F65 HydrophobicContact CD2-CE1 4.21Å; L38-F65 HydrophobicContact CD2-CZ 4.1Å; L38-F65 HydrophobicContact CG-CE1 4.17Å; L38-F65 HydrophobicContact CG-CZ 3.81Å; F61-F65 HydrophobicContact CE1-CB 4.22Å; F61-F65 WeakPolarHBondContact O-CB 3.2Å; F61-F65 PolarHBondContact O-N 3.09Å; G62-F65 PolarHBondContact O-N 2.96Å; F65-S69 VanDerWaalsContact O-CB 3.31Å; F65-S69 WeakPolarHBondContact O-CB 3.44Å; F65-S69 PolarHBondContact O-N 3.38Å; F65-S69 PolarHBondContact O-OG 3.12Å
66I94.3Very high90.4Very high1 Ų159.6 Ų59.61%0.00531%0.314CS..Hα-helixtrans-66.3-47.6178.2-66166.2000110.2F24 F37 V56 G62 K63 R64 E68 S69 V70 V82 F84F24-I66 HydrophobicContact CD1-CD1 3.84Å; F24-I66 HydrophobicContact CD1-CG1 4.38Å; F24-I66 HydrophobicContact CE1-CD1 4.2Å; F24-I66 HydrophobicContact CE1-CG1 4.25Å; F37-I66 HydrophobicContact CD1-CG1 4.47Å; F37-I66 HydrophobicContact CE1-CD1 4.05Å; F37-I66 HydrophobicContact CE1-CG1 3.61Å; F37-I66 HydrophobicContact CE2-CD1 3.92Å; F37-I66 HydrophobicContact CE2-CG1 4.39Å; F37-I66 HydrophobicContact CZ-CD1 3.46Å; F37-I66 VanDerWaalsContact CZ-CD1 3.46Å; F37-I66 HydrophobicContact CZ-CG1 3.56Å; V56-I66 HydrophobicContact CB-CD1 4.39Å; V56-I66 HydrophobicContact CG1-CD1 3.75Å; V56-I66 HydrophobicContact CG2-CD1 4.37Å; G62-I66 VanDerWaalsContact O-CG1 3.23Å; G62-I66 WeakPolarHBondContact O-CG1 3.46Å; G62-I66 PolarHBondContact O-N 2.61Å; K63-I66 PolarHBondContact O-N 3.46Å; R64-I66 VanDerWaalsContact C-N 3.3Å; R64-I66 PolarHBondContact O-N 2.9Å; I66-E68 VanDerWaalsContact C-N 3.35Å; I66-E68 PolarHBondContact O-N 2.94Å; I66-S69 PolarHBondContact O-N 2.97Å; I66-S69 VanDerWaalsContact O-N 3.17Å; I66-V70 HydrophobicContact CG2-CG2 4.42Å; I66-V70 VanDerWaalsContact O-CG2 3.32Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 3.46Å; I66-V82 HydrophobicContact CG2-CG1 4.34Å; I66-F84 HydrophobicContact CB-CE1 3.96Å; I66-F84 HydrophobicContact CB-CZ 4.07Å; I66-F84 HydrophobicContact CD1-CE1 3.9Å; I66-F84 HydrophobicContact CG2-CE1 3.93Å; I66-F84 HydrophobicContact CG2-CZ 3.79Å
67Q93.2Very high88.8Confident94 Ų9462 Ų6244%0.43933%0.326SS..Hα-helixtrans-57.9-46.3177.9-70.9176.7-53.300111.9K63 R64 S69 V70 S71 F84K63-Q67 VanDerWaalsContact O-CG 3.29Å; K63-Q67 WeakPolarHBondContact O-CG 3.34Å; K63-Q67 PolarHBondContact O-N 3.24Å; R64-Q67 PolarHBondContact O-N 3.42Å; Q67-S69 PolarHBondContact O-N 2.88Å; Q67-V70 PolarHBondContact O-N 3.16Å; Q67-S71 PolarHBondContact O-N 2.89Å; Q67-S71 PolarHBondContact O-OG 2.71Å; Q67-F84 HydrophobicContact CG-CE2 4.04Å; Q67-F84 HydrophobicContact CG-CZ 3.98Å
68E93.3Very high87.1Confident112 Ų11267 Ų6752%0.52336%0.361SS..Hα-helixtrans-63.2-40.1176.1-72.1171.2179.400111.8R64 I66 V70 S71 A72R64-E68 VanDerWaalsContact CD-OE1 3.28Å; R64-E68 WeakPolarHBondContact CD-OE1 3.36Å; R64-E68 HydrophobicContact CG-CG 4.25Å; R64-E68 VanDerWaalsContact CG-OE1 3.23Å; R64-E68 WeakPolarHBondContact CG-OE1 3.44Å; R64-E68 WeakPolarHBondContact O-CB 3.4Å; R64-E68 WeakPolarHBondContact O-CG 3.38Å; R64-E68 PolarHBondContact O-N 2.02Å; I66-E68 VanDerWaalsContact C-N 3.35Å; I66-E68 PolarHBondContact O-N 2.94Å; E68-V70 PolarHBondContact O-N 3.35Å; E68-S71 PolarHBondContact O-N 3.35Å; E68-A72 WeakPolarHBondContact O-CB 3.37Å; E68-A72 PolarHBondContact O-N 3.11Å
69S91.5Very high86.3Confident5 Ų568.3 Ų68.34%0.03537%0.369CS..Hα-helixtrans-65.7-37.3177.3-60.40000112.4F65 I66 Q67 G73 L74F65-S69 VanDerWaalsContact O-CB 3.31Å; F65-S69 WeakPolarHBondContact O-CB 3.44Å; F65-S69 PolarHBondContact O-N 3.38Å; F65-S69 PolarHBondContact O-OG 3.12Å; I66-S69 PolarHBondContact O-N 2.97Å; I66-S69 VanDerWaalsContact O-N 3.17Å; Q67-S69 PolarHBondContact O-N 2.88Å; S69-G73 PolarHBondContact O-N 2.95Å; S69-L74 WeakPolarHBondContact O-CB 3.46Å; S69-L74 PolarHBondContact O-N 2.79Å
70V87.7Confident86Confident60 Ų6068.5 Ų68.536%0.36437%0.368SS..Hα-helixtrans-66-51.1173.1174.70000110.1I66 Q67 E68 A72 G73 L75 F80I66-V70 HydrophobicContact CG2-CG2 4.42Å; I66-V70 VanDerWaalsContact O-CG2 3.32Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 3.46Å; Q67-V70 PolarHBondContact O-N 3.16Å; E68-V70 PolarHBondContact O-N 3.35Å; V70-A72 VanDerWaalsContact C-N 3.27Å; V70-A72 PolarHBondContact O-N 2.84Å; V70-G73 PolarHBondContact O-N 2.93Å; V70-L75 HydrophobicContact CG2-CD1 3.93Å; V70-F80 HydrophobicContact CG2-CE2 4.24Å; V70-F80 HydrophobicContact CG2-CZ 3.98Å
71S86.6Confident85.7Confident109 Ų10961.8 Ų61.876%0.76234%0.339SS*.Hα-helixtrans-62.5-31.8179.8-620000113.4Q67 E68 G73Q67-S71 PolarHBondContact O-N 2.89Å; Q67-S71 PolarHBondContact O-OG 2.71Å; E68-S71 PolarHBondContact O-N 3.35Å; S71-G73 PolarHBondContact O-N 2.99Å
72A87.5Confident85.5Confident71 Ų7160.6 Ų60.659%0.58734%0.336SS*.THydrogen-bonded Turntrans-77.2-2.6175.400000113.7E68 V70 L74E68-A72 WeakPolarHBondContact O-CB 3.37Å; E68-A72 PolarHBondContact O-N 3.11Å; V70-A72 VanDerWaalsContact C-N 3.27Å; V70-A72 PolarHBondContact O-N 2.84Å; A72-L74 VanDerWaalsContact C-N 3.27Å; A72-L74 HydrophobicContact CB-CD1 4.45Å; A72-L74 HydrophobicContact CB-CG 4.09Å; A72-L74 PolarHBondContact O-N 2.79Å
73G81.6Confident85.4Confident34 Ų3461 Ų6135%0.35134%0.339SS..THydrogen-bonded Turntrans69.820.5-177.900000113.8S69 V70 S71 L75 N76S69-G73 PolarHBondContact O-N 2.95Å; V70-G73 PolarHBondContact O-N 2.93Å; S71-G73 PolarHBondContact O-N 2.99Å; G73-L75 VanDerWaalsContact C-N 3.25Å; G73-L75 PolarHBondContact O-N 3.29Å; G73-N76 VanDerWaalsContact O-CB 3.22Å; G73-N76 WeakPolarHBondContact O-CB 3.42Å; G73-N76 PolarHBondContact O-N 3.12Å
74L76.6Confident85.5Confident101 Ų10158.6 Ų58.653%0.52933%0.328SS..THydrogen-bonded Turntrans-73.3-23.5176.6-61.2179000112.2S69 A72S69-L74 WeakPolarHBondContact O-CB 3.46Å; S69-L74 PolarHBondContact O-N 2.79Å; A72-L74 VanDerWaalsContact C-N 3.27Å; A72-L74 HydrophobicContact CB-CD1 4.45Å; A72-L74 HydrophobicContact CB-CG 4.09Å; A72-L74 PolarHBondContact O-N 2.79Å
75L75.3Confident85.5Confident6 Ų654.5 Ų54.53%0.03131%0.313CS..THydrogen-bonded Turntrans-109.526.2177.3-56.4-179.3000111.5L38 V41 V70 G73 N77 F80L38-L75 HydrophobicContact CD2-CD2 3.99Å; V41-L75 HydrophobicContact CB-CD2 4.1Å; V41-L75 HydrophobicContact CG1-CD1 4.05Å; V41-L75 HydrophobicContact CG1-CD2 3.87Å; V41-L75 HydrophobicContact CG1-CG 4.48Å; V70-L75 HydrophobicContact CG2-CD1 3.93Å; G73-L75 VanDerWaalsContact C-N 3.25Å; G73-L75 PolarHBondContact O-N 3.29Å; L75-N77 PolarHBondContact O-N 3.4Å; L75-F80 HydrophobicContact CB-CE1 4.36Å; L75-F80 HydrophobicContact CB-CZ 3.88Å; L75-F80 HydrophobicContact CD1-CZ 4.44Å; L75-F80 VanDerWaalsContact O-CE1 3.28Å; L75-F80 WeakPolarHBondContact O-CE1 3.4Å
76N63.6Low85.6Confident141 Ų14156.1 Ų56.175%0.75432%0.323SS*.  trans-59.687.9-166.6-17024.1000113.5G73G73-N76 VanDerWaalsContact O-CB 3.22Å; G73-N76 WeakPolarHBondContact O-CB 3.42Å; G73-N76 PolarHBondContact O-N 3.12Å
77N64.4Low85.6Confident49 Ų4957.5 Ų57.526%0.26233%0.329SS..  trans-144.3130.8164-159-21.5000107.2M45 L75 N79 F80M45-N77 HydrophobicContact CB-CB 4.18Å; M45-N77 PolarHBondContact O-ND2 3.43Å; L75-N77 PolarHBondContact O-N 3.4Å; N77-N79 PolarHBondContact O-N 2.76Å; N77-N79 VanDerWaalsContact O-N 3.08Å; N77-F80 WeakPolarHBondContact O-CD1 2.86Å; N77-F80 VanDerWaalsContact O-CE1 3.28Å; N77-F80 WeakPolarHBondContact O-CE1 3.33Å
78S61.9Low85.7Confident105 Ų10557.9 Ų57.973%0.73433%0.331SS*.SBendtrans-71-3-174.3-38.30000113.6
79N80.5Confident85.9Confident33 Ų3356.9 Ų56.918%0.17633%0.326CS..SBendtrans-110.237.2-163.7-62.6-7.7000112.4Y14 F51 I52 N77Y14-N79 PolarHBondContact OH-ND2 3.14Å; Y14-N79 PolarHBondContact OH-OD1 3.14Å; F51-N79 CarbonylContact C-O 3.58Å; F51-N79 VanDerWaalsContact CA-O 3.29Å; F51-N79 WeakPolarHBondContact CA-O 3.43Å; I52-N79 PolarHBondContact N-O 3.41Å; N77-N79 PolarHBondContact O-N 2.76Å; N77-N79 VanDerWaalsContact O-N 3.08Å
80F89.2Confident86.1Confident30 Ų3056.9 Ų56.913%0.13233%0.326CS..EExtended strand (participates in β ladder)trans-150.2157.1170.979.5-73.5000113.2M45 I52 V70 L75 N77 V82M45-F80 HydrophobicContact CE-CB 3.6Å; M45-F80 HydrophobicContact CE-CD1 4.16Å; M45-F80 HydrophobicContact CE-CD2 3.71Å; M45-F80 HydrophobicContact CE-CE2 4.42Å; M45-F80 HydrophobicContact CE-CG 3.55Å; M45-F80 HydrophobicContact SD-CB 3.77Å; M45-F80 HydrophobicContact SD-CD1 3.92Å; M45-F80 HydrophobicContact SD-CG 3.83Å; I52-F80 HydrophobicContact CB-CB 3.95Å; I52-F80 HydrophobicContact CG2-CB 4.46Å; I52-F80 CarbonylContact O-C 3.57Å; I52-F80 WeakPolarHBondContact O-CA 3.16Å; I52-F80 VanDerWaalsContact O-CB 3.3Å; I52-F80 WeakPolarHBondContact O-CB 3.05Å; V70-F80 HydrophobicContact CG2-CE2 4.24Å; V70-F80 HydrophobicContact CG2-CZ 3.98Å; L75-F80 HydrophobicContact CB-CE1 4.36Å; L75-F80 HydrophobicContact CB-CZ 3.88Å; L75-F80 HydrophobicContact CD1-CZ 4.44Å; L75-F80 VanDerWaalsContact O-CE1 3.28Å; L75-F80 WeakPolarHBondContact O-CE1 3.4Å; N77-F80 WeakPolarHBondContact O-CD1 2.86Å; N77-F80 VanDerWaalsContact O-CE1 3.28Å; N77-F80 WeakPolarHBondContact O-CE1 3.33Å; F80-V82 HydrophobicContact CD2-CG2 3.85Å; F80-V82 HydrophobicContact CE2-CG2 3.54Å
81Q89.8Confident86.5Confident33 Ų3354.4 Ų54.415%0.15431%0.312CS..EExtended strand (participates in β ladder)trans-125.5161.6166.970.3-177.513.900110.3L8 F51 I52 N53 L54L8-Q81 PolarHBondContact O-OE1 3.25Å; F51-Q81 HydrophobicContact CE1-CB 4.27Å; F51-Q81 HydrophobicContact CE1-CG 3.76Å; F51-Q81 HydrophobicContact CZ-CB 3.89Å; F51-Q81 HydrophobicContact CZ-CG 3.9Å; I52-Q81 PolarHBondContact O-N 2.8Å; N53-Q81 HydrophobicContact CB-CG 4.31Å; N53-Q81 VanDerWaalsContact CG-NE2 3.25Å; N53-Q81 PolarHBondContact ND2-NE2 2.8Å; N53-Q81 WeakPolarHBondContact OD1-CG 3.23Å; N53-Q81 PolarHBondContact OD1-NE2 3.48Å; N53-Q81 VanDerWaalsContact OD1-NE2 3.16Å; L54-Q81 WeakPolarHBondContact CB-O 3.28Å; L54-Q81 PolarHBondContact N-O 3.37Å
82V93Very high87Confident28 Ų2852.1 Ų52.117%0.1730%0.299CS..EExtended strand (participates in β ladder)trans-122122.9179-169.80000110.4L54 V56 I66 F80 F84L54-V82 HydrophobicContact CB-CG2 4.47Å; L54-V82 CarbonylContact O-C 3.55Å; L54-V82 VanDerWaalsContact O-CA 3.27Å; L54-V82 WeakPolarHBondContact O-CA 3.4Å; V56-V82 HydrophobicContact CG2-CG1 3.81Å; I66-V82 HydrophobicContact CG2-CG1 4.34Å; F80-V82 HydrophobicContact CD2-CG2 3.85Å; F80-V82 HydrophobicContact CE2-CG2 3.54Å; V82-F84 HydrophobicContact CB-CE2 4.18Å; V82-F84 HydrophobicContact CB-CZ 4.13Å; V82-F84 HydrophobicContact CG1-CD1 4.13Å; V82-F84 HydrophobicContact CG1-CD2 4.3Å; V82-F84 HydrophobicContact CG1-CE1 3.62Å; V82-F84 HydrophobicContact CG1-CE2 3.81Å; V82-F84 HydrophobicContact CG1-CG 4.45Å; V82-F84 HydrophobicContact CG1-CZ 3.45Å; V82-F84 VanDerWaalsContact CG1-CZ 3.45Å
83T95Very high87.4Confident8 Ų852.1 Ų52.15%0.04928%0.284CS..EExtended strand (participates in β ladder)trans-106.9119.8171.5-57.40000109.4N53 L54 H55 V56 Y85N53-T83 PolarHBondContact OD1-OG1 3.29Å; L54-T83 PolarHBondContact O-N 3Å; H55-T83 CarbonylContact C-O 3.55Å; H55-T83 WeakPolarHBondContact CA-O 3.21Å; V56-T83 PolarHBondContact N-O 3.4Å; T83-Y85 HydrophobicContact CG2-CE1 4.41Å; T83-Y85 HydrophobicContact CG2-CE2 3.76Å; T83-Y85 WeakPolarHBondContact CG2-OH 3.32Å
84F97.5Very high88.1Confident42 Ų4250.5 Ų50.518%0.18427%0.268CS..EExtended strand (participates in β ladder)trans-95.2138.7-177.7-62.9-77.8000112.3V56 T58 K63 I66 Q67 V82V56-F84 HydrophobicContact CB-CD1 4.25Å; V56-F84 WeakPolarHBondContact O-CA 3.31Å; T58-F84 HydrophobicContact CG2-CD1 3.83Å; T58-F84 HydrophobicContact CG2-CE1 4.49Å; K63-F84 HydrophobicContact CB-CD1 4.24Å; K63-F84 HydrophobicContact CB-CE1 4.38Å; K63-F84 HydrophobicContact CD-CB 4.32Å; K63-F84 HydrophobicContact CD-CD2 4.35Å; K63-F84 HydrophobicContact CD-CG 4.17Å; K63-F84 HydrophobicContact CG-CD1 3.97Å; K63-F84 HydrophobicContact CG-CD2 4.15Å; K63-F84 HydrophobicContact CG-CE1 4.1Å; K63-F84 HydrophobicContact CG-CE2 4.28Å; K63-F84 HydrophobicContact CG-CG 3.98Å; K63-F84 HydrophobicContact CG-CZ 4.24Å; I66-F84 HydrophobicContact CB-CE1 3.96Å; I66-F84 HydrophobicContact CB-CZ 4.07Å; I66-F84 HydrophobicContact CD1-CE1 3.9Å; I66-F84 HydrophobicContact CG2-CE1 3.93Å; I66-F84 HydrophobicContact CG2-CZ 3.79Å; Q67-F84 HydrophobicContact CG-CE2 4.04Å; Q67-F84 HydrophobicContact CG-CZ 3.98Å; V82-F84 HydrophobicContact CB-CE2 4.18Å; V82-F84 HydrophobicContact CB-CZ 4.13Å; V82-F84 HydrophobicContact CG1-CD1 4.13Å; V82-F84 HydrophobicContact CG1-CD2 4.3Å; V82-F84 HydrophobicContact CG1-CE1 3.62Å; V82-F84 HydrophobicContact CG1-CE2 3.81Å; V82-F84 HydrophobicContact CG1-CG 4.45Å; V82-F84 HydrophobicContact CG1-CZ 3.45Å; V82-F84 VanDerWaalsContact CG1-CZ 3.45Å
85Y97.7Very high89Confident53 Ų5347.7 Ų47.721%0.20826%0.256CS..EExtended strand (participates in β ladder)trans-121.9136.3171.5-56.8-87.7000109.7M21 H55 V56 I57 T58 T83 K87 I90 F129M21-Y85 HydrophobicContact CE-CD2 4.43Å; M21-Y85 HydrophobicContact CE-CE2 4.24Å; H55-Y85 HydrophobicContact CB-CD2 4.41Å; H55-Y85 HydrophobicContact CB-CE2 3.7Å; H55-Y85 AromaticContact CG-CE2 3.97Å; H55-Y85 AromaticContact ND1-CE2 3.46Å; H55-Y85 WeakPolarHBondContact ND1-CE2 3.16Å; H55-Y85 AromaticContact ND1-CZ 3.62Å; H55-Y85 PolarHBondContact ND1-OH 3.34Å; V56-Y85 PolarHBondContact O-N 3.04Å; I57-Y85 WeakPolarHBondContact CA-O 3.34Å; T58-Y85 PolarHBondContact N-O 3.26Å; T83-Y85 HydrophobicContact CG2-CE1 4.41Å; T83-Y85 HydrophobicContact CG2-CE2 3.76Å; T83-Y85 WeakPolarHBondContact CG2-OH 3.32Å; Y85-K87 PolarHBondContact O-N 3.04Å; Y85-I90 HydrophobicContact CD1-CD1 4.37Å; Y85-F129 AromaticContact CD1-CE1 3.77Å; Y85-F129 HydrophobicContact CD1-CE1 3.77Å; Y85-F129 HydrophobicContact CD2-CE1 4.44Å; Y85-F129 AromaticContact CE1-CD1 4Å; Y85-F129 HydrophobicContact CE1-CD1 4Å; Y85-F129 AromaticContact CE1-CE1 3.58Å; Y85-F129 HydrophobicContact CE1-CE1 3.58Å; Y85-F129 HydrophobicContact CE2-CE1 4.31Å; Y85-F129 HydrophobicContact CG-CE1 4.19Å; Y85-F129 AromaticContact CZ-CE1 3.86Å
86D96.6Very high90Very high64 Ų6455 Ų5534%0.34229%0.291SS..EExtended strand (participates in β ladder)trans-70.3126177.4-177.5-87.1000110.4E88 E89 I90D86-E88 VanDerWaalsContact C-N 3.33Å; D86-E88 PolarHBondContact O-N 3.37Å; D86-E88 WeakPolarHBondContact OD1-CB 2.99Å; D86-E88 PolarHBondContact OD1-N 2.9Å; D86-E88 VanDerWaalsContact OD1-N 3.09Å; D86-E89 HydrophobicContact CB-CB 4.07Å; D86-E89 PolarHBondContact O-N 3.18Å; D86-E89 PolarHBondContact OD1-N 3.28Å; D86-I90 WeakPolarHBondContact O-CG1 3.38Å; D86-I90 PolarHBondContact O-N 2.88Å
87K95.4Very high91.6Very high30 Ų3051.6 Ų51.613%0.1327%0.272CS..Hα-helixtrans-66-34.6-173.676.3172.7-176.770.30113Y25 I57 T58 D59 Y85 A91 L118Y25-K87 VanDerWaalsContact CB-CD 3.44Å; Y25-K87 HydrophobicContact CD2-CD 4Å; Y25-K87 HydrophobicContact CG-CD 3.76Å; I57-K87 HydrophobicContact CG2-CB 3.93Å; T58-K87 WeakPolarHBondContact O-CB 3.31Å; T58-K87 PolarHBondContact O-N 3.24Å; D59-K87 HydrophobicContact CB-CD 3.82Å; D59-K87 HydrophobicContact CB-CG 4.36Å; Y85-K87 PolarHBondContact O-N 3.04Å; K87-A91 VanDerWaalsContact O-CB 3.23Å; K87-A91 WeakPolarHBondContact O-CB 2.99Å; K87-A91 PolarHBondContact O-N 3.16Å; K87-L118 HydrophobicContact CB-CD1 3.93Å
88E94.9Very high93.2Very high101 Ų10149.6 Ų49.647%0.47226%0.261SS..Hα-helixtrans-68.5-41.5177.9-7374.4-164.500110.3D86 A91 A92D86-E88 VanDerWaalsContact C-N 3.33Å; D86-E88 PolarHBondContact O-N 3.37Å; D86-E88 WeakPolarHBondContact OD1-CB 2.99Å; D86-E88 PolarHBondContact OD1-N 2.9Å; D86-E88 VanDerWaalsContact OD1-N 3.09Å; E88-A91 PolarHBondContact O-N 3.04Å; E88-A92 WeakPolarHBondContact O-CB 3.37Å; E88-A92 PolarHBondContact O-N 3.3Å
89E97Very high94.7Very high91 Ų9145.8 Ų45.843%0.42524%0.239SC..Hα-helixtrans-62.1-47176.1-173.2178.3171.900111.9D86 A92 R93D86-E89 HydrophobicContact CB-CB 4.07Å; D86-E89 PolarHBondContact O-N 3.18Å; D86-E89 PolarHBondContact OD1-N 3.28Å; E89-A92 PolarHBondContact O-N 3.39Å; E89-R93 WeakPolarHBondContact O-CG 3.12Å; E89-R93 PolarHBondContact O-N 3.16Å; E89-R93 IonicContact OE1-CZ 3.18Å; E89-R93 VanDerWaalsContact OE1-CZ 3.31Å; E89-R93 IonicContact OE1-NE 3.29Å; E89-R93 PolarHBondContact OE1-NE 3.24Å; E89-R93 IonicContact OE1-NH2 3.36Å; E89-R93 PolarHBondContact OE1-NH2 2.87Å
90I97.3Very high95Very high5 Ų547.6 Ų47.63%0.02626%0.258CS..Hα-helixtrans-67.6-39.4-179.6-61-63.9000111.5I57 Y85 D86 R93 T94 L118 T121 I128 F129I57-I90 HydrophobicContact CD1-CG2 3.92Å; I57-I90 HydrophobicContact CG1-CG1 4.26Å; I57-I90 HydrophobicContact CG1-CG2 4.44Å; I57-I90 HydrophobicContact CG2-CB 4.12Å; I57-I90 HydrophobicContact CG2-CG1 4.18Å; I57-I90 HydrophobicContact CG2-CG2 4.41Å; Y85-I90 HydrophobicContact CD1-CD1 4.37Å; D86-I90 WeakPolarHBondContact O-CG1 3.38Å; D86-I90 PolarHBondContact O-N 2.88Å; I90-R93 PolarHBondContact O-N 3.25Å; I90-T94 WeakPolarHBondContact O-CB 3.42Å; I90-T94 PolarHBondContact O-N 3.01Å; I90-T94 PolarHBondContact O-OG1 3.06Å; I90-L118 HydrophobicContact CB-CD2 4.03Å; I90-L118 HydrophobicContact CG2-CD2 3.84Å; I90-T121 HydrophobicContact CG2-CG2 3.6Å; I90-I128 HydrophobicContact CD1-CG2 3.76Å; I90-F129 HydrophobicContact CD1-CE1 4.1Å; I90-F129 HydrophobicContact CD1-CZ 3.99Å
91A95.1Very high95.1Very high9 Ų952.3 Ų52.37%0.07428%0.28CS..Hα-helixtrans-61.4-46174.500000111.5K87 E88 R93 T94 S95 D117 L118K87-A91 VanDerWaalsContact O-CB 3.23Å; K87-A91 WeakPolarHBondContact O-CB 2.99Å; K87-A91 PolarHBondContact O-N 3.16Å; E88-A91 PolarHBondContact O-N 3.04Å; A91-R93 PolarHBondContact O-N 3.04Å; A91-T94 PolarHBondContact O-N 3.4Å; A91-S95 PolarHBondContact O-N 3.23Å; A91-D117 HydrophobicContact CB-CB 4.27Å; A91-L118 HydrophobicContact CB-CD2 4.14Å; A91-L118 HydrophobicContact CB-CG 4.2Å
92A96.1Very high95.3Very high60 Ų6050.8 Ų50.850%0.49627%0.273SS..Hα-helixtrans-60.6-47.2178.100000112E88 E89 T94 S95 E96E88-A92 WeakPolarHBondContact O-CB 3.37Å; E88-A92 PolarHBondContact O-N 3.3Å; E89-A92 PolarHBondContact O-N 3.39Å; A92-T94 VanDerWaalsContact C-N 3.33Å; A92-T94 PolarHBondContact O-N 3.15Å; A92-S95 PolarHBondContact O-N 2.85Å; A92-E96 WeakPolarHBondContact O-CB 2.89Å; A92-E96 PolarHBondContact O-N 2.81Å
93R97.4Very high95.4Very high72 Ų7249.5 Ų49.527%0.27227%0.265SS..Hα-helixtrans-62.1-40.5176.2-70.7-177.4-174.8-155.13.8112.2E89 I90 A91 E96 L97 I128E89-R93 WeakPolarHBondContact O-CG 3.12Å; E89-R93 PolarHBondContact O-N 3.16Å; E89-R93 IonicContact OE1-CZ 3.18Å; E89-R93 VanDerWaalsContact OE1-CZ 3.31Å; E89-R93 IonicContact OE1-NE 3.29Å; E89-R93 PolarHBondContact OE1-NE 3.24Å; E89-R93 IonicContact OE1-NH2 3.36Å; E89-R93 PolarHBondContact OE1-NH2 2.87Å; I90-R93 PolarHBondContact O-N 3.25Å; A91-R93 PolarHBondContact O-N 3.04Å; R93-E96 PolarHBondContact O-N 2.91Å; R93-L97 WeakPolarHBondContact O-CB 3.28Å; R93-L97 VanDerWaalsContact O-CG 3.26Å; R93-L97 WeakPolarHBondContact O-CG 3.34Å; R93-L97 PolarHBondContact O-N 2.87Å; R93-I128 HydrophobicContact CB-CD1 4.29Å; R93-I128 HydrophobicContact CB-CG1 4.4Å
94T96.8Very high95.3Very high0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-62.9-45.5177.5-58.60000110.9I90 A91 A92 L97 L98 D117 F120 V124 I128I90-T94 WeakPolarHBondContact O-CB 3.42Å; I90-T94 PolarHBondContact O-N 3.01Å; I90-T94 PolarHBondContact O-OG1 3.06Å; A91-T94 PolarHBondContact O-N 3.4Å; A92-T94 VanDerWaalsContact C-N 3.33Å; A92-T94 PolarHBondContact O-N 3.15Å; T94-L97 PolarHBondContact O-N 3.42Å; T94-L98 HydrophobicContact CG2-CD1 3.97Å; T94-L98 PolarHBondContact O-N 3.36Å; T94-L98 VanDerWaalsContact O-N 3.11Å; T94-D117 WeakPolarHBondContact CG2-O 3.33Å; T94-F120 HydrophobicContact CG2-CB 3.98Å; T94-V124 HydrophobicContact CG2-CG2 3.91Å; T94-I128 WeakPolarHBondContact OG1-CD1 3.35Å
95S94.9Very high95.2Very high42 Ų4252.6 Ų52.629%0.29428%0.278SS..Hα-helixtrans-63.8-39.1176.11800000112.9A91 A92 G99 Y103A91-S95 PolarHBondContact O-N 3.23Å; A92-S95 PolarHBondContact O-N 2.85Å; S95-G99 WeakPolarHBondContact O-CA 3.09Å; S95-G99 PolarHBondContact O-N 3.22Å; S95-Y103 VanDerWaalsContact CA-OH 3.31Å; S95-Y103 WeakPolarHBondContact CA-OH 3.36Å
96E96.5Very high95Very high160 Ų16050 Ų5075%0.74827%0.268SS*.Hα-helixtrans-63.5-44.7176.6-177.3-179.4-173.500111.5A92 R93A92-E96 WeakPolarHBondContact O-CB 2.89Å; A92-E96 PolarHBondContact O-N 2.81Å; R93-E96 PolarHBondContact O-N 2.91Å
97L97.4Very high94.8Very high68 Ų6848.6 Ų48.636%0.35626%0.258SS..Hα-helixtrans-72.2-33.6-176.1-71.6169.4000113.7R93 T94 V124 K127 I128R93-L97 WeakPolarHBondContact O-CB 3.28Å; R93-L97 VanDerWaalsContact O-CG 3.26Å; R93-L97 WeakPolarHBondContact O-CG 3.34Å; R93-L97 PolarHBondContact O-N 2.87Å; T94-L97 PolarHBondContact O-N 3.42Å; L97-V124 HydrophobicContact CB-CB 4.25Å; L97-V124 HydrophobicContact CB-CG1 4.08Å; L97-V124 HydrophobicContact CB-CG2 4.43Å; L97-V124 HydrophobicContact CD1-CB 3.99Å; L97-V124 HydrophobicContact CD1-CG2 4.12Å; L97-K127 HydrophobicContact CD1-CB 3.94Å; L97-K127 HydrophobicContact CD2-CB 4.43Å; L97-K127 HydrophobicContact CD2-CD 3.98Å; L97-I128 HydrophobicContact CD1-CD1 4.33Å; L97-I128 HydrophobicContact CD1-CG1 3.75Å
98L96.6Very high94.3Very high7 Ų756.2 Ų56.24%0.03729%0.286CS..Hα-helixtrans-92.1-36.1-179.2-68.9177.6000112.6T94 F102 Y103 F120 I123 V124T94-L98 HydrophobicContact CG2-CD1 3.97Å; T94-L98 PolarHBondContact O-N 3.36Å; T94-L98 VanDerWaalsContact O-N 3.11Å; L98-F102 HydrophobicContact CB-CB 3.95Å; L98-F102 HydrophobicContact CB-CD1 4.13Å; L98-F102 HydrophobicContact CB-CG 3.99Å; L98-F102 HydrophobicContact CD1-CD1 3.92Å; L98-F102 HydrophobicContact CD1-CE1 4.11Å; L98-F102 HydrophobicContact CD2-CD1 3.84Å; L98-F102 HydrophobicContact CD2-CD2 4.02Å; L98-F102 HydrophobicContact CD2-CE1 3.77Å; L98-F102 HydrophobicContact CD2-CE2 3.97Å; L98-F102 HydrophobicContact CD2-CG 3.96Å; L98-F102 HydrophobicContact CD2-CZ 3.82Å; L98-F102 HydrophobicContact CG-CD1 4.19Å; L98-F102 HydrophobicContact CG-CE1 4.47Å; L98-F102 HydrophobicContact CG-CG 4.4Å; L98-F102 WeakPolarHBondContact O-CB 3.29Å; L98-Y103 HydrophobicContact CD1-CE1 4.15Å; L98-F120 HydrophobicContact CD1-CB 3.76Å; L98-F120 HydrophobicContact CD1-CG 4.48Å; L98-I123 HydrophobicContact CD2-CG2 4.12Å; L98-V124 HydrophobicContact CD1-CG1 4.42Å; L98-V124 HydrophobicContact CD2-CG1 3.45Å; L98-V124 VanDerWaalsContact CD2-CG1 3.45Å; L98-V124 HydrophobicContact CG-CG1 3.75Å
99G93Very high93.8Very high26 Ų2653.7 Ų53.727%0.26828%0.279SS..  trans73.8149.3-171.300000113.2S95 Q101 F102S95-G99 WeakPolarHBondContact O-CA 3.09Å; S95-G99 PolarHBondContact O-N 3.22Å; G99-Q101 PolarHBondContact O-N 2.97Å; G99-F102 VanDerWaalsContact O-CB 3.31Å; G99-F102 WeakPolarHBondContact O-CB 3.4Å; G99-F102 PolarHBondContact O-N 2.99Å
100A88.3Confident92.8Very high70 Ų7056.1 Ų56.158%0.57929%0.291SS*.THydrogen-bonded Turntrans-58.2-27.8-170.300000115.3F102 Y103A100-F102 VanDerWaalsContact C-N 3.34Å; A100-Y103 WeakPolarHBondContact O-CD2 3.47Å
101Q91.7Very high91.9Very high129 Ų12967.7 Ų67.760%0.60333%0.334SS*.THydrogen-bonded Turntrans-76-21.3-179.3-65.9-59.7-30.200113.3G99 Y103 K104 V225G99-Q101 PolarHBondContact O-N 2.97Å; Q101-Y103 VanDerWaalsContact C-N 3.28Å; Q101-Y103 PolarHBondContact O-N 3.35Å; Q101-K104 WeakPolarHBondContact O-CB 3.43Å; Q101-K104 PolarHBondContact O-N 3.21Å; Q101-V225 HydrophobicContact CB-CG1 3.69Å; Q101-V225 HydrophobicContact CB-CG2 4.36Å
102F94.1Very high91Very high1 Ų168 Ų680%0.00434%0.336CS..G310 helixtrans-61.3-38.3-178.9-171.8-87.8000112.2L98 G99 A100 K104 F106 I123 V225 I228 F246L98-F102 HydrophobicContact CB-CB 3.95Å; L98-F102 HydrophobicContact CB-CD1 4.13Å; L98-F102 HydrophobicContact CB-CG 3.99Å; L98-F102 HydrophobicContact CD1-CD1 3.92Å; L98-F102 HydrophobicContact CD1-CE1 4.11Å; L98-F102 HydrophobicContact CD2-CD1 3.84Å; L98-F102 HydrophobicContact CD2-CD2 4.02Å; L98-F102 HydrophobicContact CD2-CE1 3.77Å; L98-F102 HydrophobicContact CD2-CE2 3.97Å; L98-F102 HydrophobicContact CD2-CG 3.96Å; L98-F102 HydrophobicContact CD2-CZ 3.82Å; L98-F102 HydrophobicContact CG-CD1 4.19Å; L98-F102 HydrophobicContact CG-CE1 4.47Å; L98-F102 HydrophobicContact CG-CG 4.4Å; L98-F102 WeakPolarHBondContact O-CB 3.29Å; G99-F102 VanDerWaalsContact O-CB 3.31Å; G99-F102 WeakPolarHBondContact O-CB 3.4Å; G99-F102 PolarHBondContact O-N 2.99Å; A100-F102 VanDerWaalsContact C-N 3.34Å; F102-K104 PolarHBondContact O-N 2.91Å; F102-K104 VanDerWaalsContact O-N 3.14Å; F102-F106 HydrophobicContact CD1-CD2 4.39Å; F102-F106 HydrophobicContact CD1-CE2 4.45Å; F102-F106 HydrophobicContact CE1-CD2 4.16Å; F102-F106 HydrophobicContact CE1-CE2 4.04Å; F102-F106 HydrophobicContact CZ-CE2 4.35Å; F102-F106 WeakPolarHBondContact O-CD2 3.45Å; F102-I123 HydrophobicContact CE1-CD1 4.18Å; F102-I123 HydrophobicContact CZ-CG2 4.35Å; F102-V225 HydrophobicContact CB-CG2 4.33Å; F102-I228 HydrophobicContact CD2-CG2 3.91Å; F102-I228 HydrophobicContact CE2-CB 4.34Å; F102-I228 HydrophobicContact CE2-CG1 4.43Å; F102-I228 HydrophobicContact CE2-CG2 3.9Å; F102-F246 HydrophobicContact CE1-CD2 4.09Å; F102-F246 HydrophobicContact CE1-CE2 4.46Å; F102-F246 HydrophobicContact CE2-CE2 4.22Å; F102-F246 AromaticContact CZ-CD2 3.55Å; F102-F246 HydrophobicContact CZ-CD2 3.55Å; F102-F246 AromaticContact CZ-CE2 3.51Å; F102-F246 HydrophobicContact CZ-CE2 3.51Å; F102-F246 HydrophobicContact CZ-CG 4.37Å; F102-F246 HydrophobicContact CZ-CZ 4.31Å
103Y93.3Very high90Very high2 Ų271.2 Ų71.21%0.00834%0.341CS..G310 helixtrans-67.3-15-177.8-55-74.5000114.4S95 L98 A100 Q101 H105 F106 R107 D117 F120S95-Y103 VanDerWaalsContact CA-OH 3.31Å; S95-Y103 WeakPolarHBondContact CA-OH 3.36Å; L98-Y103 HydrophobicContact CD1-CE1 4.15Å; A100-Y103 WeakPolarHBondContact O-CD2 3.47Å; Q101-Y103 VanDerWaalsContact C-N 3.28Å; Q101-Y103 PolarHBondContact O-N 3.35Å; Y103-H105 PolarHBondContact O-N 2.79Å; Y103-F106 PolarHBondContact O-N 2.82Å; Y103-R107 VanDerWaalsContact CB-NE 3.35Å; Y103-R107 VanDerWaalsContact CD2-NH2 3.31Å; Y103-R107 VanDerWaalsContact CG-CZ 3.41Å; Y103-R107 VanDerWaalsContact O-CB 3.31Å; Y103-R107 WeakPolarHBondContact O-CB 3.19Å; Y103-R107 PolarHBondContact O-N 2.83Å; Y103-D117 PolarHBondContact OH-OD1 3.04Å; Y103-F120 AromaticContact CD1-CD1 3.87Å; Y103-F120 HydrophobicContact CD1-CD1 3.87Å; Y103-F120 AromaticContact CD1-CD2 3.73Å; Y103-F120 HydrophobicContact CD1-CD2 3.73Å; Y103-F120 AromaticContact CD1-CE1 3.77Å; Y103-F120 HydrophobicContact CD1-CE1 3.77Å; Y103-F120 AromaticContact CD1-CE2 3.61Å; Y103-F120 HydrophobicContact CD1-CE2 3.61Å; Y103-F120 AromaticContact CD1-CG 3.86Å; Y103-F120 HydrophobicContact CD1-CG 3.86Å; Y103-F120 AromaticContact CD1-CZ 3.63Å; Y103-F120 HydrophobicContact CD1-CZ 3.63Å; Y103-F120 HydrophobicContact CE1-CB 4.02Å; Y103-F120 AromaticContact CE1-CD1 3.94Å; Y103-F120 HydrophobicContact CE1-CD1 3.94Å; Y103-F120 AromaticContact CE1-CD2 3.51Å; Y103-F120 HydrophobicContact CE1-CD2 3.51Å; Y103-F120 HydrophobicContact CE1-CE1 4.3Å; Y103-F120 AromaticContact CE1-CE2 3.9Å; Y103-F120 HydrophobicContact CE1-CE2 3.9Å; Y103-F120 AromaticContact CE1-CG 3.53Å; Y103-F120 HydrophobicContact CE1-CG 3.53Å; Y103-F120 HydrophobicContact CE1-CZ 4.27Å
104K93.6Very high89Confident94 Ų9471.2 Ų71.241%0.40934%0.342SS..G310 helixtrans-48.8-38.5-171175.6-174.8168-162.70113.2Q101 F102 D229 K238Q101-K104 WeakPolarHBondContact O-CB 3.43Å; Q101-K104 PolarHBondContact O-N 3.21Å; F102-K104 PolarHBondContact O-N 2.91Å; F102-K104 VanDerWaalsContact O-N 3.14Å; K104-D229 IonicContact NZ-OD1 2.86Å; K104-D229 PolarHBondContact NZ-OD1 3.25Å; K104-K238 PolarHBondContact O-NZ 2.95Å
105H94.7Very high87.8Confident20 Ų2071.2 Ų71.29%0.09334%0.342CS..G310 helixtrans-96.8-8.2-174.9-63.8-61.8000114.9Y103 D229 A232 G239Y103-H105 PolarHBondContact O-N 2.79Å; H105-D229 IonicContact CD2-OD1 3.83Å; H105-D229 IonicContact CE1-OD1 3.53Å; H105-D229 IonicContact NE2-OD1 2.74Å; H105-D229 PolarHBondContact NE2-OD1 3.29Å; H105-A232 HydrophobicContact CB-CB 3.83Å; H105-A232 WeakPolarHBondContact CD2-CB 3.35Å; H105-G239 WeakPolarHBondContact O-CA 3.04Å; H105-G239 PolarHBondContact O-N 2.8Å
106F95Very high87.4Confident0 Ų072.1 Ų72.10%034%0.341CS..THydrogen-bonded Turntrans-122.4-14-170.3-49.7-55.7000113.1F102 Y103 F120 I228 F237 H240 L241 G242 D245 F246 L249F102-F106 HydrophobicContact CD1-CD2 4.39Å; F102-F106 HydrophobicContact CD1-CE2 4.45Å; F102-F106 HydrophobicContact CE1-CD2 4.16Å; F102-F106 HydrophobicContact CE1-CE2 4.04Å; F102-F106 HydrophobicContact CZ-CE2 4.35Å; F102-F106 WeakPolarHBondContact O-CD2 3.45Å; Y103-F106 PolarHBondContact O-N 2.82Å; F106-F120 HydrophobicContact CB-CE1 3.69Å; F106-F120 HydrophobicContact CB-CZ 4.1Å; F106-F120 HydrophobicContact CD2-CE1 4.47Å; F106-F120 HydrophobicContact CG-CE1 4.48Å; F106-I228 HydrophobicContact CE2-CD1 4.46Å; F106-I228 HydrophobicContact CE2-CG1 3.68Å; F106-I228 HydrophobicContact CZ-CD1 3.87Å; F106-I228 HydrophobicContact CZ-CG1 3.48Å; F106-I228 VanDerWaalsContact CZ-CG1 3.48Å; F106-F237 HydrophobicContact CD1-CE1 4.15Å; F106-F237 HydrophobicContact CE1-CD1 4.37Å; F106-F237 HydrophobicContact CE1-CE1 4.15Å; F106-H240 CarbonylContact O-C 3.44Å; F106-H240 VanDerWaalsContact O-CA 3.31Å; F106-H240 WeakPolarHBondContact O-CA 3.28Å; F106-H240 PolarHBondContact O-N 3.43Å; F106-L241 PolarHBondContact O-N 3.3Å; F106-G242 PolarHBondContact O-N 3.39Å; F106-D245 HydrophobicContact CB-CB 4.42Å; F106-D245 HydrophobicContact CD1-CB 3.79Å; F106-F246 HydrophobicContact CD1-CB 4.32Å; F106-F246 HydrophobicContact CD2-CB 4.33Å; F106-F246 HydrophobicContact CE1-CB 4.19Å; F106-F246 HydrophobicContact CE2-CB 4.2Å; F106-F246 AromaticContact CE2-CD2 3.92Å; F106-F246 HydrophobicContact CE2-CD2 3.92Å; F106-F246 HydrophobicContact CG-CB 4.38Å; F106-F246 HydrophobicContact CZ-CB 4.11Å; F106-F246 AromaticContact CZ-CD2 3.89Å; F106-F246 HydrophobicContact CZ-CD2 3.89Å; F106-L249 HydrophobicContact CE1-CB 4.3Å; F106-L249 HydrophobicContact CE1-CD2 3.73Å; F106-L249 HydrophobicContact CZ-CD2 3.83Å
107R91.5Very high87.2Confident33 Ų3366.1 Ų66.113%0.12531%0.314CS..  trans-117.4127.1-178.7179.7169.166.6-174.83.4110.1Y103 E110 G115 D117 F120Y103-R107 VanDerWaalsContact CB-NE 3.35Å; Y103-R107 VanDerWaalsContact CD2-NH2 3.31Å; Y103-R107 VanDerWaalsContact CG-CZ 3.41Å; Y103-R107 VanDerWaalsContact O-CB 3.31Å; Y103-R107 WeakPolarHBondContact O-CB 3.19Å; Y103-R107 PolarHBondContact O-N 2.83Å; R107-E110 IonicContact NH2-OE1 3.33Å; R107-G115 WeakPolarHBondContact CD-O 3.28Å; R107-D117 IonicContact NH1-OD1 3.83Å; R107-D117 PolarHBondContact NH1-OD1 3.07Å; R107-F120 HydrophobicContact CB-CZ 4.16Å
108R86Confident87Confident191 Ų19163.3 Ų63.372%0.72130%0.3SS*.SBendtrans-70.5-49.5170.5-172.6-178.273.5173.10.6111.7A112 H240R108-A112 HydrophobicContact CB-CB 4.37Å; R108-H240 HydrophobicContact CB-CB 4.16Å
109S83.6Confident86.9Confident47 Ų4766 Ų6633%0.32931%0.31SS..  trans-165.4156.6178.161.80000109.1R111 A112 G115S109-R111 PolarHBondContact O-N 3.28Å; S109-A112 VanDerWaalsContact O-CB 3.23Å; S109-A112 WeakPolarHBondContact O-CB 3.04Å; S109-A112 PolarHBondContact O-N 2.93Å; S109-A112 PolarHBondContact OG-N 2.92Å; S109-G115 WeakPolarHBondContact O-CA 3.47Å
110E77Confident87.1Confident143 Ų14364.7 Ų64.767%0.66830%0.297SS*.THydrogen-bonded Turntrans-59.7-31.1174.7-69.7170.7-170.100113.2R107 A112R107-E110 IonicContact NH2-OE1 3.33Å; E110-A112 VanDerWaalsContact C-N 3.26Å; E110-A112 PolarHBondContact O-N 3.18Å
111R78Confident87.6Confident247 Ų24761.5 Ų61.593%0.93227%0.27SS*.THydrogen-bonded Turntrans-79.6-2.8176.8-59.4-178.4-174.3174.91.2114.1S109S109-R111 PolarHBondContact O-N 3.28Å
112A75.4Confident87.9Confident15 Ų1555.5 Ų55.512%0.12424%0.242CC..SBendtrans-75.4157.6178.200000110.1R108 S109 E110 Y114 G115R108-A112 HydrophobicContact CB-CB 4.37Å; S109-A112 VanDerWaalsContact O-CB 3.23Å; S109-A112 WeakPolarHBondContact O-CB 3.04Å; S109-A112 PolarHBondContact O-N 2.93Å; S109-A112 PolarHBondContact OG-N 2.92Å; E110-A112 VanDerWaalsContact C-N 3.26Å; E110-A112 PolarHBondContact O-N 3.18Å; A112-Y114 PolarHBondContact O-N 3.3Å; A112-Y114 VanDerWaalsContact O-N 3.16Å; A112-G115 PolarHBondContact O-N 3.21Å
113Q75.7Confident88.1Confident129 Ų12955.4 Ų55.460%0.60324%0.242SC*.THydrogen-bonded Turntrans-51-41.2-179.8-176.6175.3-8.700112.8Y119Q113-Y119 WeakPolarHBondContact O-CE2 3.07Å; Q113-Y119 PolarHBondContact O-OH 3.47Å
114Y76.9Confident88.3Confident71 Ų7155.3 Ų55.328%0.27824%0.241SC..THydrogen-bonded Turntrans-104.324.3178.3-48.6-70.3000112.7A112 Y119 L241A112-Y114 PolarHBondContact O-N 3.3Å; A112-Y114 VanDerWaalsContact O-N 3.16Å; Y114-Y119 AromaticContact CD1-CD1 3.98Å; Y114-Y119 HydrophobicContact CD1-CD1 3.98Å; Y114-Y119 AromaticContact CD1-CE1 3.61Å; Y114-Y119 HydrophobicContact CD1-CE1 3.61Å; Y114-Y119 AromaticContact CD1-CZ 3.95Å; Y114-Y119 HydrophobicContact CE1-CE1 4.25Å; Y114-L241 HydrophobicContact CD2-CD2 3.65Å; Y114-L241 HydrophobicContact CE2-CD2 3.68Å; Y114-L241 HydrophobicContact CG-CD2 4.49Å
115G71.2Confident88.6Confident0 Ų050.9 Ų50.90%022%0.222CC..  trans-89.7-16-172.400000115.4R107 S109 A112R107-G115 WeakPolarHBondContact CD-O 3.28Å; S109-G115 WeakPolarHBondContact O-CA 3.47Å; A112-G115 PolarHBondContact O-N 3.21Å
116H87Confident88.7Confident62 Ų6250.1 Ų50.129%0.28722%0.218SC..SBendtrans-76.2145.5-176.1-163.7-87.4000111.3L118 Y119H116-L118 VanDerWaalsContact ND1-CG 3.35Å; H116-L118 WeakPolarHBondContact ND1-CG 3.5Å; H116-L118 PolarHBondContact ND1-N 3.44Å; H116-L118 PolarHBondContact O-N 3.16Å; H116-Y119 HydrophobicContact CB-CD2 4.05Å; H116-Y119 HydrophobicContact CB-CE2 4.31Å; H116-Y119 WeakPolarHBondContact O-CB 3.48Å; H116-Y119 PolarHBondContact O-N 2.82Å
117D90.9Very high88.8Confident34 Ų3454.7 Ų54.718%0.18224%0.239CC..G310 helixtrans-59.7-24.4-175.4-57.3-44.7000113.2A91 T94 Y103 R107 Y119 F120A91-D117 HydrophobicContact CB-CB 4.27Å; T94-D117 WeakPolarHBondContact CG2-O 3.33Å; Y103-D117 PolarHBondContact OH-OD1 3.04Å; R107-D117 IonicContact NH1-OD1 3.83Å; R107-D117 PolarHBondContact NH1-OD1 3.07Å; D117-Y119 PolarHBondContact O-N 3.34Å; D117-F120 WeakPolarHBondContact O-CB 2.94Å; D117-F120 PolarHBondContact O-N 2.94Å
118L93.8Very high89.1Confident8 Ų853.6 Ų53.64%0.04224%0.235CC..G310 helixtrans-59-29.8175.8-68.1172.4000113.4T23 Y25 I57 K87 I90 A91 H116 F120 T121T23-L118 HydrophobicContact CG2-CB 4.23Å; T23-L118 HydrophobicContact CG2-CD1 4.05Å; Y25-L118 HydrophobicContact CD1-CD1 4.01Å; Y25-L118 HydrophobicContact CE1-CD1 3.85Å; I57-L118 HydrophobicContact CG2-CD1 4.48Å; I57-L118 HydrophobicContact CG2-CD2 3.77Å; K87-L118 HydrophobicContact CB-CD1 3.93Å; I90-L118 HydrophobicContact CB-CD2 4.03Å; I90-L118 HydrophobicContact CG2-CD2 3.84Å; A91-L118 HydrophobicContact CB-CD2 4.14Å; A91-L118 HydrophobicContact CB-CG 4.2Å; H116-L118 VanDerWaalsContact ND1-CG 3.35Å; H116-L118 WeakPolarHBondContact ND1-CG 3.5Å; H116-L118 PolarHBondContact ND1-N 3.44Å; H116-L118 PolarHBondContact O-N 3.16Å; L118-F120 PolarHBondContact O-N 2.04Å; L118-F120 VanDerWaalsContact O-N 3.13Å; L118-T121 WeakPolarHBondContact CA-OG1 3.41Å; L118-T121 WeakPolarHBondContact O-CB 3.44Å; L118-T121 PolarHBondContact O-N 3.38Å; L118-T121 PolarHBondContact O-OG1 3.32Å
119Y93.9Very high89.6Confident63 Ų6345 Ų4525%0.24720%0.203CC..G310 helixtrans-70.40.1174.2-71.3-77.3000113.6Q113 Y114 H116 D117 D243Q113-Y119 WeakPolarHBondContact O-CE2 3.07Å; Q113-Y119 PolarHBondContact O-OH 3.47Å; Y114-Y119 AromaticContact CD1-CD1 3.98Å; Y114-Y119 HydrophobicContact CD1-CD1 3.98Å; Y114-Y119 AromaticContact CD1-CE1 3.61Å; Y114-Y119 HydrophobicContact CD1-CE1 3.61Å; Y114-Y119 AromaticContact CD1-CZ 3.95Å; Y114-Y119 HydrophobicContact CE1-CE1 4.25Å; H116-Y119 HydrophobicContact CB-CD2 4.05Å; H116-Y119 HydrophobicContact CB-CE2 4.31Å; H116-Y119 WeakPolarHBondContact O-CB 3.48Å; H116-Y119 PolarHBondContact O-N 2.82Å; D117-Y119 PolarHBondContact O-N 3.34Å; Y119-D243 WeakPolarHBondContact O-CB 3.37Å; Y119-D243 PolarHBondContact O-N 2.95Å
120F97.5Very high90Very high0 Ų046.5 Ų46.50%021%0.211CC..G310 helixtrans-118.32177.2-61.2-96.2000112.1T94 L98 Y103 F106 R107 D117 L118 S122 I123 G242T94-F120 HydrophobicContact CG2-CB 3.98Å; L98-F120 HydrophobicContact CD1-CB 3.76Å; L98-F120 HydrophobicContact CD1-CG 4.48Å; Y103-F120 AromaticContact CD1-CD1 3.87Å; Y103-F120 HydrophobicContact CD1-CD1 3.87Å; Y103-F120 AromaticContact CD1-CD2 3.73Å; Y103-F120 HydrophobicContact CD1-CD2 3.73Å; Y103-F120 AromaticContact CD1-CE1 3.77Å; Y103-F120 HydrophobicContact CD1-CE1 3.77Å; Y103-F120 AromaticContact CD1-CE2 3.61Å; Y103-F120 HydrophobicContact CD1-CE2 3.61Å; Y103-F120 AromaticContact CD1-CG 3.86Å; Y103-F120 HydrophobicContact CD1-CG 3.86Å; Y103-F120 AromaticContact CD1-CZ 3.63Å; Y103-F120 HydrophobicContact CD1-CZ 3.63Å; Y103-F120 HydrophobicContact CE1-CB 4.02Å; Y103-F120 AromaticContact CE1-CD1 3.94Å; Y103-F120 HydrophobicContact CE1-CD1 3.94Å; Y103-F120 AromaticContact CE1-CD2 3.51Å; Y103-F120 HydrophobicContact CE1-CD2 3.51Å; Y103-F120 HydrophobicContact CE1-CE1 4.3Å; Y103-F120 AromaticContact CE1-CE2 3.9Å; Y103-F120 HydrophobicContact CE1-CE2 3.9Å; Y103-F120 AromaticContact CE1-CG 3.53Å; Y103-F120 HydrophobicContact CE1-CG 3.53Å; Y103-F120 HydrophobicContact CE1-CZ 4.27Å; F106-F120 HydrophobicContact CB-CE1 3.69Å; F106-F120 HydrophobicContact CB-CZ 4.1Å; F106-F120 HydrophobicContact CD2-CE1 4.47Å; F106-F120 HydrophobicContact CG-CE1 4.48Å; R107-F120 HydrophobicContact CB-CZ 4.16Å; D117-F120 WeakPolarHBondContact O-CB 2.94Å; D117-F120 PolarHBondContact O-N 2.94Å; L118-F120 PolarHBondContact O-N 2.04Å; L118-F120 VanDerWaalsContact O-N 3.13Å; F120-S122 VanDerWaalsContact C-N 3.29Å; F120-S122 PolarHBondContact O-N 3.04Å; F120-I123 HydrophobicContact CB-CD1 4.18Å; F120-I123 HydrophobicContact CD1-CD1 3.81Å; F120-I123 HydrophobicContact CG-CD1 4.47Å; F120-I123 WeakPolarHBondContact O-CB 3.41Å; F120-I123 PolarHBondContact O-N 3.13Å; F120-G242 VanDerWaalsContact CZ-CA 3.5Å
121T98Very high90.7Very high3 Ų347.2 Ų47.22%0.01822%0.22CC..Hα-helixtrans-59.6-40.3-175-52.70000111.9I57 I90 L118 I123 V124 S125 I128 F129I57-T121 HydrophobicContact CD1-CG2 4.09Å; I90-T121 HydrophobicContact CG2-CG2 3.6Å; L118-T121 WeakPolarHBondContact CA-OG1 3.41Å; L118-T121 WeakPolarHBondContact O-CB 3.44Å; L118-T121 PolarHBondContact O-N 3.38Å; L118-T121 PolarHBondContact O-OG1 3.32Å; T121-I123 PolarHBondContact O-N 3.2Å; T121-V124 CarbonylContact O-C 3.39Å; T121-V124 PolarHBondContact O-N 3.49Å; T121-V124 VanDerWaalsContact O-N 3.16Å; T121-S125 WeakPolarHBondContact O-CA 3.29Å; T121-S125 WeakPolarHBondContact O-CB 3.06Å; T121-S125 PolarHBondContact O-N 3.28Å; T121-I128 HydrophobicContact CG2-CD1 4.18Å; T121-F129 HydrophobicContact CG2-CE2 4.35Å
122S98.5Very high91.5Very high2 Ų236.7 Ų36.71%0.01418%0.182CC..Hα-helixtrans-55.2-35.9179.756.10000112.4F120 V124 S125 D243 Y247F120-S122 VanDerWaalsContact C-N 3.29Å; F120-S122 PolarHBondContact O-N 3.04Å; S122-V124 VanDerWaalsContact C-N 3.31Å; S122-V124 PolarHBondContact O-N 3Å; S122-S125 WeakPolarHBondContact O-CB 3.4Å; S122-S125 PolarHBondContact O-N 2.93Å; S122-S125 PolarHBondContact O-OG 3.11Å; S122-D243 WeakPolarHBondContact CB-OD2 3.21Å; S122-D243 VanDerWaalsContact OG-CB 3.26Å; S122-D243 WeakPolarHBondContact OG-CB 3.37Å; S122-D243 PolarHBondContact OG-OD2 2.79Å; S122-Y247 WeakPolarHBondContact CB-OH 3.49Å; S122-Y247 PolarHBondContact O-OH 3.44Å; S122-Y247 PolarHBondContact OG-OH 3.31Å
123I98.7Very high92.5Very high0 Ų038.6 Ų38.60%019%0.194CC..Hα-helixtrans-64.3-34-178.5-61.9165.4000112.4L98 F102 F120 T121 H126 Y219 L223 D243 F246 Y247L98-I123 HydrophobicContact CD2-CG2 4.12Å; F102-I123 HydrophobicContact CE1-CD1 4.18Å; F102-I123 HydrophobicContact CZ-CG2 4.35Å; F120-I123 HydrophobicContact CB-CD1 4.18Å; F120-I123 HydrophobicContact CD1-CD1 3.81Å; F120-I123 HydrophobicContact CG-CD1 4.47Å; F120-I123 WeakPolarHBondContact O-CB 3.41Å; F120-I123 PolarHBondContact O-N 3.13Å; T121-I123 PolarHBondContact O-N 3.2Å; I123-H126 PolarHBondContact O-CE1 3.37Å; I123-Y219 WeakPolarHBondContact CA-OH 3.49Å; I123-Y219 PolarHBondContact O-OH 3.02Å; I123-L223 HydrophobicContact CG2-CD2 3.39Å; I123-D243 HydrophobicContact CD1-CB 3.95Å; I123-D243 HydrophobicContact CG1-CB 3.98Å; I123-F246 HydrophobicContact CB-CD1 4.49Å; I123-F246 HydrophobicContact CB-CE1 4.5Å; I123-F246 HydrophobicContact CD1-CB 3.81Å; I123-F246 HydrophobicContact CD1-CD1 3.72Å; I123-F246 HydrophobicContact CD1-CE1 4.46Å; I123-F246 HydrophobicContact CD1-CG 3.77Å; I123-F246 HydrophobicContact CG1-CD1 3.61Å; I123-F246 HydrophobicContact CG1-CE1 4.07Å; I123-F246 HydrophobicContact CG1-CG 4.21Å; I123-F246 HydrophobicContact CG2-CD1 4.11Å; I123-F246 HydrophobicContact CG2-CE1 3.76Å; I123-F246 HydrophobicContact CG2-CZ 4.07Å; I123-Y247 WeakPolarHBondContact CA-OH 3.32Å; I123-Y247 HydrophobicContact CG1-CE1 4.43Å; I123-Y247 HydrophobicContact CG1-CE2 4.37Å; I123-Y247 PolarHBondContact N-OH 2.9Å
124V98.3Very high93.6Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-11710.9-176.5-65.60000112.8T94 L97 L98 T121 S122 H126 K127 I128 L223T94-V124 HydrophobicContact CG2-CG2 3.91Å; L97-V124 HydrophobicContact CB-CB 4.25Å; L97-V124 HydrophobicContact CB-CG1 4.08Å; L97-V124 HydrophobicContact CB-CG2 4.43Å; L97-V124 HydrophobicContact CD1-CB 3.99Å; L97-V124 HydrophobicContact CD1-CG2 4.12Å; L98-V124 HydrophobicContact CD1-CG1 4.42Å; L98-V124 HydrophobicContact CD2-CG1 3.45Å; L98-V124 VanDerWaalsContact CD2-CG1 3.45Å; L98-V124 HydrophobicContact CG-CG1 3.75Å; T121-V124 CarbonylContact O-C 3.39Å; T121-V124 PolarHBondContact O-N 3.49Å; T121-V124 VanDerWaalsContact O-N 3.16Å; S122-V124 VanDerWaalsContact C-N 3.31Å; S122-V124 PolarHBondContact O-N 3Å; V124-H126 PolarHBondContact O-N 3.44Å; V124-H126 VanDerWaalsContact O-N 3.08Å; V124-K127 WeakPolarHBondContact O-CB 3.45Å; V124-K127 PolarHBondContact O-N 3.16Å; V124-I128 HydrophobicContact CG2-CD1 3.79Å; V124-I128 HydrophobicContact CG2-CG1 4.41Å; V124-I128 PolarHBondContact O-N 3.16Å; V124-L223 HydrophobicContact CG1-CD1 4.47Å
125S98.1Very high94.6Very high0 Ų032.8 Ų32.80%017%0.166CC..Hα-helixtrans-56.8-30.2-175.259.20000112.5T121 S122 K127 I128 F129 M210T121-S125 WeakPolarHBondContact O-CA 3.29Å; T121-S125 WeakPolarHBondContact O-CB 3.06Å; T121-S125 PolarHBondContact O-N 3.28Å; S122-S125 WeakPolarHBondContact O-CB 3.4Å; S122-S125 PolarHBondContact O-N 2.93Å; S122-S125 PolarHBondContact O-OG 3.11Å; S125-K127 PolarHBondContact O-N 3.37Å; S125-I128 PolarHBondContact O-N 2.99Å; S125-F129 WeakPolarHBondContact O-CD2 3.28Å; S125-F129 PolarHBondContact O-N 3.22Å; S125-M210 VanDerWaalsContact CB-CE 3.47Å; S125-M210 VanDerWaalsContact O-CE 3.27Å; S125-M210 WeakPolarHBondContact O-CE 3.33Å; S125-M210 WeakPolarHBondContact OG-CE 3.4Å
126H97.9Very high95.9Very high4 Ų432.8 Ų32.82%0.01917%0.166CC..Hα-helixtrans-70.3-21.5-178.463.6-63.2000113I123 V124 M210 M213 R214 Y219 N220I123-H126 PolarHBondContact O-CE1 3.37Å; V124-H126 PolarHBondContact O-N 3.44Å; V124-H126 VanDerWaalsContact O-N 3.08Å; H126-M210 HydrophobicContact CB-CE 3.97Å; H126-M213 HydrophobicContact CB-CB 3.66Å; H126-M213 HydrophobicContact CB-CE 4.27Å; H126-M213 HydrophobicContact CB-SD 4.27Å; H126-M213 PolarHBondContact CD2-O 2.77Å; H126-R214 HydrophobicContact CB-CG 4.05Å; H126-R214 PolarHBondContact O-NH1 3.25Å; H126-Y219 AromaticContact CE1-CE1 3.72Å; H126-N220 PolarHBondContact NE2-OD1 3.22Å
127K98Very high96.5Very high97 Ų9730.7 Ų30.742%0.42216%0.156SC..Hα-helixtrans-92.4-30.7173.4-59.7-177.8-179.7-179.30112.1L97 V124 S125 N220L97-K127 HydrophobicContact CD1-CB 3.94Å; L97-K127 HydrophobicContact CD2-CB 4.43Å; L97-K127 HydrophobicContact CD2-CD 3.98Å; V124-K127 WeakPolarHBondContact O-CB 3.45Å; V124-K127 PolarHBondContact O-N 3.16Å; S125-K127 PolarHBondContact O-N 3.37Å; K127-N220 WeakPolarHBondContact CE-OD1 3.44Å
128I97.7Very high96.8Very high10 Ų1029.5 Ų29.55%0.05115%0.15CC..Hα-helixtrans-78.2-38.4179.7-63.1178000111.4I90 R93 T94 L97 T121 V124 S125 P130I90-I128 HydrophobicContact CD1-CG2 3.76Å; R93-I128 HydrophobicContact CB-CD1 4.29Å; R93-I128 HydrophobicContact CB-CG1 4.4Å; T94-I128 WeakPolarHBondContact OG1-CD1 3.35Å; L97-I128 HydrophobicContact CD1-CD1 4.33Å; L97-I128 HydrophobicContact CD1-CG1 3.75Å; T121-I128 HydrophobicContact CG2-CD1 4.18Å; V124-I128 HydrophobicContact CG2-CD1 3.79Å; V124-I128 HydrophobicContact CG2-CG1 4.41Å; V124-I128 PolarHBondContact O-N 3.16Å; S125-I128 PolarHBondContact O-N 2.99Å; I128-P130 VanDerWaalsContact C-CD 3.47Å; I128-P130 VanDerWaalsContact O-CD 3.24Å; I128-P130 WeakPolarHBondContact O-CD 3.28Å
129F96.1Very high97Very high11 Ų1131.9 Ų31.95%0.04816%0.163CC..  trans-118.273.1-176.8-49.5-68.5000110.9M21 Y85 I90 T121 S125 N131 I132 R214M21-F129 HydrophobicContact CE-CD2 4.31Å; M21-F129 HydrophobicContact CE-CE1 4.03Å; M21-F129 HydrophobicContact CE-CE2 3.66Å; M21-F129 HydrophobicContact CE-CZ 3.5Å; M21-F129 VanDerWaalsContact CE-CZ 3.5Å; Y85-F129 AromaticContact CD1-CE1 3.77Å; Y85-F129 HydrophobicContact CD1-CE1 3.77Å; Y85-F129 HydrophobicContact CD2-CE1 4.44Å; Y85-F129 AromaticContact CE1-CD1 4Å; Y85-F129 HydrophobicContact CE1-CD1 4Å; Y85-F129 AromaticContact CE1-CE1 3.58Å; Y85-F129 HydrophobicContact CE1-CE1 3.58Å; Y85-F129 HydrophobicContact CE2-CE1 4.31Å; Y85-F129 HydrophobicContact CG-CE1 4.19Å; Y85-F129 AromaticContact CZ-CE1 3.86Å; I90-F129 HydrophobicContact CD1-CE1 4.1Å; I90-F129 HydrophobicContact CD1-CZ 3.99Å; T121-F129 HydrophobicContact CG2-CE2 4.35Å; S125-F129 WeakPolarHBondContact O-CD2 3.28Å; S125-F129 PolarHBondContact O-N 3.22Å; F129-N131 PolarHBondContact O-N 3.46Å; F129-I132 HydrophobicContact CB-CB 4.38Å; F129-I132 HydrophobicContact CB-CD1 3.98Å; F129-I132 HydrophobicContact CB-CG1 4.26Å; F129-I132 HydrophobicContact CG-CD1 4.4Å; F129-I132 PolarHBondContact O-N 3.18Å; F129-R214 PolarHBondContact O-NH1 2.7Å
130P92.5Very high97.1Very high77 Ų7729.7 Ų29.750%0.516%0.156SC..THydrogen-bonded Turntrans-66.3-23.5-171.626.2-35.7000114.2I128 R214I128-P130 VanDerWaalsContact C-CD 3.47Å; I128-P130 VanDerWaalsContact O-CD 3.24Å; I128-P130 WeakPolarHBondContact O-CD 3.28Å; P130-R214 PolarHBondContact O-NH1 2.98Å
131N91.8Very high97.1Very high159 Ų15931.1 Ų31.185%0.8516%0.163SC*.THydrogen-bonded Turntrans-97.17.7-175.4-59-20000113.6F129F129-N131 PolarHBondContact O-N 3.46Å
132I94.8Very high97.1Very high26 Ų2631 Ų3113%0.13316%0.163CC..  trans-109.1127.8175.6-58179.6000107.5F129 R134 L135 M210 R214F129-I132 HydrophobicContact CB-CB 4.38Å; F129-I132 HydrophobicContact CB-CD1 3.98Å; F129-I132 HydrophobicContact CB-CG1 4.26Å; F129-I132 HydrophobicContact CG-CD1 4.4Å; F129-I132 PolarHBondContact O-N 3.18Å; I132-R134 WeakPolarHBondContact CG2-O 3.49Å; I132-L135 HydrophobicContact CG2-CB 3.96Å; I132-L135 HydrophobicContact CG2-CD1 4.36Å; I132-M210 HydrophobicContact CG2-CG 4.41Å; I132-M210 WeakPolarHBondContact O-CB 3.48Å; I132-M210 VanDerWaalsContact O-CG 3.25Å; I132-M210 WeakPolarHBondContact O-CG 3.48Å; I132-R214 PolarHBondContact O-NH1 2.86Å; I132-R214 PolarHBondContact O-NH2 3.08Å
133S95.9Very high97.1Very high54 Ų5432.8 Ų32.838%0.37817%0.17SC..SBendtrans-93.4-37.9-178.7-70.20000113.8H209 M210 D211S133-H209 CarbonylContact O-C 3.57Å; S133-M210 WeakPolarHBondContact O-CA 3.36Å; S133-M210 VanDerWaalsContact O-CB 3.28Å; S133-M210 WeakPolarHBondContact O-CB 3.15Å; S133-M210 WeakPolarHBondContact O-CG 3.5Å; S133-M210 PolarHBondContact O-N 2.81Å; S133-D211 WeakPolarHBondContact CB-OD2 3.45Å; S133-D211 PolarHBondContact OG-OD2 3.32Å
134R97.7Very high97Very high79 Ų7932.8 Ų32.830%0.29817%0.17SC..EExtended strand (participates in β ladder)trans-135.7130.2-179-66.6172.2-179.8-175.3-5.8108.4I132 F155 D156 A208I132-R134 WeakPolarHBondContact CG2-O 3.49Å; R134-F155 HydrophobicContact CB-CD1 4.48Å; R134-F155 HydrophobicContact CB-CD2 3.92Å; R134-F155 HydrophobicContact CB-CE1 4.38Å; R134-F155 HydrophobicContact CB-CE2 3.81Å; R134-F155 HydrophobicContact CB-CG 4.26Å; R134-F155 HydrophobicContact CB-CZ 4.05Å; R134-F155 HydrophobicContact CG-CB 4.41Å; R134-F155 HydrophobicContact CG-CD1 4.15Å; R134-F155 HydrophobicContact CG-CD2 4.16Å; R134-F155 HydrophobicContact CG-CE1 4.43Å; R134-F155 HydrophobicContact CG-CE2 4.45Å; R134-F155 HydrophobicContact CG-CG 4Å; R134-D156 IonicContact CZ-OD1 3.71Å; R134-D156 IonicContact NH1-OD1 2.77Å; R134-D156 PolarHBondContact NH1-OD1 2.94Å; R134-D156 IonicContact NH2-OD1 3.1Å; R134-D156 PolarHBondContact NH2-OD1 3.18Å; R134-D156 VanDerWaalsContact NH2-OD1 3.1Å; R134-A208 WeakPolarHBondContact CA-O 3.18Å
135L98.2Very high96.9Very high0 Ų037.3 Ų37.30%019%0.187CC..EExtended strand (participates in β ladder)trans-145.2131.1-176.6-17364.2000110.9M21 I132 F137 A208 M210M21-L135 HydrophobicContact CB-CD1 4.1Å; M21-L135 HydrophobicContact CB-CD2 4Å; M21-L135 HydrophobicContact CB-CG 4.05Å; M21-L135 HydrophobicContact CE-CD2 3.97Å; I132-L135 HydrophobicContact CG2-CB 3.96Å; I132-L135 HydrophobicContact CG2-CD1 4.36Å; L135-F137 HydrophobicContact CB-CE2 4.26Å; L135-F137 HydrophobicContact CD2-CD2 4.39Å; L135-F137 HydrophobicContact CD2-CE1 4.44Å; L135-F137 HydrophobicContact CD2-CE2 3.57Å; L135-F137 HydrophobicContact CD2-CZ 3.59Å; L135-F137 HydrophobicContact CG-CD2 4.32Å; L135-F137 HydrophobicContact CG-CE2 3.91Å; L135-F137 HydrophobicContact CG-CZ 4.37Å; L135-A208 PolarHBondContact N-O 3.13Å; L135-A208 PolarHBondContact O-N 2.99Å; L135-M210 HydrophobicContact CB-CG 4.4Å; L135-M210 HydrophobicContact CB-SD 4.13Å
136I98.8Very high96.9Very high0 Ų038 Ų380%019%0.193CC..EExtended strand (participates in β ladder)trans-98.1114.1176.5-57.4171.1000108.6V18 G19 I20 M21 L138 V148 L151 H152 F155 L206 L207V18-I136 HydrophobicContact CG1-CD1 3.97Å; G19-I136 PolarHBondContact O-N 3.42Å; I20-I136 CarbonylContact C-O 3.58Å; I20-I136 VanDerWaalsContact CA-O 3.31Å; I20-I136 WeakPolarHBondContact CA-O 3.47Å; I20-I136 HydrophobicContact CG1-CB 4.37Å; M21-I136 PolarHBondContact N-O 3.1Å; I136-L138 HydrophobicContact CG2-CD2 3.67Å; I136-L138 HydrophobicContact CG2-CG 3.98Å; I136-V148 HydrophobicContact CD1-CG2 4.15Å; I136-L151 HydrophobicContact CD1-CD2 4.31Å; I136-L151 HydrophobicContact CD1-CG 4.23Å; I136-L151 HydrophobicContact CG2-CD2 4.08Å; I136-H152 HydrophobicContact CD1-CB 4.12Å; I136-F155 HydrophobicContact CG1-CE2 3.99Å; I136-L206 CarbonylContact C-O 3.39Å; I136-L206 WeakPolarHBondContact CA-O 3.25Å; I136-L207 HydrophobicContact CG1-CD1 4.31Å; I136-L207 HydrophobicContact CG1-CG 4.22Å; I136-L207 HydrophobicContact CG2-CD1 4.27Å
137F98.8Very high96.7Very high18 Ų1839 Ų398%0.07920%0.199CC..EExtended strand (participates in β ladder)trans-86.4134.6170.8-69.2-103.8000109.7M21 L135 L206 A208M21-F137 HydrophobicContact CB-CD1 3.78Å; M21-F137 HydrophobicContact CB-CE1 3.93Å; M21-F137 HydrophobicContact CB-CG 4.14Å; M21-F137 HydrophobicContact CB-CZ 4.39Å; M21-F137 HydrophobicContact CG-CD1 3.64Å; M21-F137 HydrophobicContact CG-CE1 3.54Å; M21-F137 HydrophobicContact CG-CG 4.48Å; M21-F137 HydrophobicContact CG-CZ 4.31Å; L135-F137 HydrophobicContact CB-CE2 4.26Å; L135-F137 HydrophobicContact CD2-CD2 4.39Å; L135-F137 HydrophobicContact CD2-CE1 4.44Å; L135-F137 HydrophobicContact CD2-CE2 3.57Å; L135-F137 HydrophobicContact CD2-CZ 3.59Å; L135-F137 HydrophobicContact CG-CD2 4.32Å; L135-F137 HydrophobicContact CG-CE2 3.91Å; L135-F137 HydrophobicContact CG-CZ 4.37Å; F137-L206 HydrophobicContact CB-CB 4.15Å; F137-L206 HydrophobicContact CB-CD2 4.2Å; F137-L206 HydrophobicContact CD2-CD2 3.72Å; F137-L206 HydrophobicContact CG-CD2 4.26Å; F137-L206 PolarHBondContact N-O 3.37Å; F137-L206 PolarHBondContact O-N 3.27Å; F137-A208 HydrophobicContact CD2-CB 4.08Å; F137-A208 HydrophobicContact CE2-CB 3.82Å
138L98.7Very high96.6Very high9 Ų934.5 Ų34.55%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-130.6140.4-178.4-63-180000110.6I20 M21 L22 I136 L142 F144 G204 V205I20-L138 HydrophobicContact CG2-CD1 3.5Å; I20-L138 HydrophobicContact CG2-CG 4.05Å; M21-L138 PolarHBondContact O-N 3.12Å; L22-L138 HydrophobicContact CD2-CB 3.57Å; L22-L138 WeakPolarHBondContact CD2-O 3.46Å; I136-L138 HydrophobicContact CG2-CD2 3.67Å; I136-L138 HydrophobicContact CG2-CG 3.98Å; L138-L142 HydrophobicContact CB-CD1 3.87Å; L138-L142 HydrophobicContact CD2-CD1 3.73Å; L138-L142 HydrophobicContact CG-CD1 4.27Å; L138-F144 HydrophobicContact CD1-CE2 3.73Å; L138-F144 HydrophobicContact CD1-CZ 3.56Å; L138-F144 HydrophobicContact CD2-CE2 4.39Å; L138-F144 HydrophobicContact CD2-CZ 3.82Å; L138-F144 HydrophobicContact CG-CZ 4.37Å; L138-G204 CarbonylContact C-O 3.55Å; L138-G204 WeakPolarHBondContact CA-O 3.46Å; L138-V205 HydrophobicContact CD2-CB 4.29Å; L138-V205 HydrophobicContact CD2-CG1 4Å; L138-V205 HydrophobicContact CD2-CG2 3.92Å
139D97.7Very high96.5Very high58 Ų5837.8 Ų37.831%0.3119%0.193SC..  trans-71.5155.1160.1-84.1-20.7000110.4D141 L142 G204 H296D139-D141 WeakPolarHBondContact CB-OD1 3.37Å; D139-L142 HydrophobicContact CB-CG 4.38Å; D139-L142 WeakPolarHBondContact O-CD1 3.35Å; D139-L142 VanDerWaalsContact O-CG 3.28Å; D139-L142 WeakPolarHBondContact O-CG 3.38Å; D139-G204 PolarHBondContact N-O 3.34Å; D139-G204 WeakPolarHBondContact OD2-CA 3.06Å; D139-H296 IonicContact OD2-CE1 3.32Å; D139-H296 IonicContact OD2-NE2 2.65Å
140V96.2Very high96.6Very high17 Ų1741.4 Ų41.410%0.10321%0.21CC..THydrogen-bonded Turntrans-83.7-11-177.3-65.70000113.6L22 T23 F24 L33 N36 F37 C40 L142L22-V140 HydrophobicContact CD2-CG1 4.16Å; T23-V140 WeakPolarHBondContact O-CG1 3.12Å; F24-V140 HydrophobicContact CB-CG1 4.35Å; L33-V140 HydrophobicContact CD1-CG2 3.55Å; N36-V140 CarbonylContact C-O 3.59Å; N36-V140 WeakPolarHBondContact CB-O 3.46Å; F37-V140 HydrophobicContact CD2-CG1 4.24Å; C40-V140 WeakPolarHBondContact CB-O 3.03Å; V140-L142 VanDerWaalsContact C-N 3.29Å; V140-L142 PolarHBondContact O-N 3.49Å
141D96.8Very high96.8Very high29 Ų2937.8 Ų37.816%0.15519%0.186CC..THydrogen-bonded Turntrans-96.934.2177.463.6-11.6000112.3D139 H296 G297 I303D139-D141 WeakPolarHBondContact CB-OD1 3.37Å; D141-H296 IonicContact OD1-CD2 3.31Å; D141-H296 PolarHBondContact OD1-CD2 3.41Å; D141-H296 IonicContact OD1-NE2 2.67Å; D141-H296 PolarHBondContact OD1-NE2 3Å; D141-G297 WeakPolarHBondContact O-CA 3.22Å; D141-G297 PolarHBondContact O-N 3.16Å; D141-I303 VanDerWaalsContact O-CD1 3.31Å; D141-I303 WeakPolarHBondContact O-CD1 3.44Å
142L98.4Very high97.1Very high1 Ų131.2 Ų31.21%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-98.3158.4173.1-58.4177.5000112.4C40 L138 D139 V140 F144 G204 V205 V294 Y295 H296C40-L142 VanDerWaalsContact CA-O 3.27Å; C40-L142 WeakPolarHBondContact CA-O 3.31Å; C40-L142 WeakPolarHBondContact CB-O 3.36Å; L138-L142 HydrophobicContact CB-CD1 3.87Å; L138-L142 HydrophobicContact CD2-CD1 3.73Å; L138-L142 HydrophobicContact CG-CD1 4.27Å; D139-L142 HydrophobicContact CB-CG 4.38Å; D139-L142 WeakPolarHBondContact O-CD1 3.35Å; D139-L142 VanDerWaalsContact O-CG 3.28Å; D139-L142 WeakPolarHBondContact O-CG 3.38Å; V140-L142 VanDerWaalsContact C-N 3.29Å; V140-L142 PolarHBondContact O-N 3.49Å; L142-F144 HydrophobicContact CB-CE2 4.38Å; L142-F144 HydrophobicContact CD1-CE2 4.26Å; L142-G204 WeakPolarHBondContact CD1-O 3.4Å; L142-V205 HydrophobicContact CD1-CG2 3.65Å; L142-V205 HydrophobicContact CD2-CG2 4.22Å; L142-V294 HydrophobicContact CB-CG1 4.01Å; L142-V294 HydrophobicContact CD1-CG1 4.25Å; L142-V294 HydrophobicContact CD2-CG1 3.97Å; L142-V294 HydrophobicContact CG-CG1 4.31Å; L142-Y295 CarbonylContact C-O 3.55Å; L142-Y295 VanDerWaalsContact CA-O 3.29Å; L142-Y295 WeakPolarHBondContact CA-O 3.47Å; L142-H296 HydrophobicContact CD2-CB 3.56Å
143K97.7Very high97.3Very high39 Ų3933.2 Ų33.217%0.1716%0.161CC..EExtended strand (participates in β ladder)trans-136.6122.4165.1-174.4-177.5173-1770110.2S43 V294 Y295 I303 P304 D305S43-K143 WeakPolarHBondContact OG-CA 3.48Å; K143-V294 WeakPolarHBondContact O-CA 3.17Å; K143-Y295 PolarHBondContact N-O 2.99Å; K143-Y295 PolarHBondContact O-N 3.39Å; K143-I303 HydrophobicContact CB-CD1 4.1Å; K143-I303 HydrophobicContact CB-CG2 3.65Å; K143-I303 HydrophobicContact CD-CG2 3.66Å; K143-I303 HydrophobicContact CG-CG2 4.3Å; K143-P304 PolarHBondContact NZ-O 3.35Å; K143-D305 PolarHBondContact NZ-O 3.25Å
144F97Very high97.4Very high1 Ų131.4 Ų31.40%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-81.3142.5177.4-76.3-106.7000110.7S43 L44 H47 L138 L142 V148 L151 V294S43-F144 PolarHBondContact OG-N 3Å; L44-F144 HydrophobicContact CB-CD2 4.08Å; L44-F144 HydrophobicContact CB-CG 4.36Å; L44-F144 HydrophobicContact CD1-CD1 3.95Å; L44-F144 HydrophobicContact CD1-CD2 4.12Å; L44-F144 HydrophobicContact CD1-CE1 3.9Å; L44-F144 HydrophobicContact CD1-CE2 4.09Å; L44-F144 HydrophobicContact CD1-CG 4.08Å; L44-F144 HydrophobicContact CD1-CZ 3.99Å; H47-F144 PolarHBondContact CD2-O 3.25Å; H47-F144 VanDerWaalsContact CD2-O 3.27Å; H47-F144 PolarHBondContact NE2-O 3.37Å; L138-F144 HydrophobicContact CD1-CE2 3.73Å; L138-F144 HydrophobicContact CD1-CZ 3.56Å; L138-F144 HydrophobicContact CD2-CE2 4.39Å; L138-F144 HydrophobicContact CD2-CZ 3.82Å; L138-F144 HydrophobicContact CG-CZ 4.37Å; L142-F144 HydrophobicContact CB-CE2 4.38Å; L142-F144 HydrophobicContact CD1-CE2 4.26Å; F144-V148 HydrophobicContact CE1-CB 4.29Å; F144-V148 HydrophobicContact CE1-CG2 4.02Å; F144-L151 HydrophobicContact CE1-CD2 4.38Å; F144-V294 HydrophobicContact CD1-CG2 3.65Å; F144-V294 HydrophobicContact CD2-CG2 4.43Å; F144-V294 HydrophobicContact CE1-CG2 3.62Å; F144-V294 HydrophobicContact CE2-CG1 4.42Å; F144-V294 HydrophobicContact CE2-CG2 4.39Å; F144-V294 HydrophobicContact CG-CG2 4.06Å; F144-V294 HydrophobicContact CZ-CG2 3.99Å
145R96.5Very high97.4Very high94 Ų9427.8 Ų27.836%0.35513%0.134SC..  trans-125.50.3172.8-67.1-166.666.315714.7112.8K293 Y295 E306R145-K293 PolarHBondContact N-O 3.42Å; R145-Y295 VanDerWaalsContact CD-CE2 3.49Å; R145-Y295 HydrophobicContact CG-CD2 4.43Å; R145-Y295 HydrophobicContact CG-CE2 4.48Å; R145-Y295 PolarHBondContact NH1-OH 3.39Å; R145-E306 VanDerWaalsContact CZ-OXT 3.23Å; R145-E306 PolarHBondContact NH1-O 3.17Å; R145-E306 VanDerWaalsContact NH1-O 3.1Å; R145-E306 PolarHBondContact NH2-O 3.04Å; R145-E306 PolarHBondContact NH2-OXT 2.85Å
146A96.8Very high97.4Very high14 Ų1432.6 Ų32.612%0.11616%0.159CC..SBendtrans-140.6158.8-17800000109.8V148 W265 K293A146-V148 PolarHBondContact O-N 3.38Å; A146-W265 HydrophobicContact CB-CH2 4.16Å; A146-W265 HydrophobicContact CB-CZ3 4.31Å; A146-K293 HydrophobicContact CB-CB 3.8Å; A146-K293 HydrophobicContact CB-CD 4.1Å; A146-K293 HydrophobicContact CB-CG 3.85Å; A146-K293 PolarHBondContact N-O 3.05Å
147D95.7Very high97.3Very high27 Ų2738 Ų3814%0.14419%0.185CC..  trans-62.7122.6178.1-176.8-1.3000111H47 S49 K149 Q150H47-D147 VanDerWaalsContact O-CA 3.28Å; H47-D147 WeakPolarHBondContact O-CA 3.41Å; H47-D147 VanDerWaalsContact O-CB 3.3Å; H47-D147 WeakPolarHBondContact O-CB 3.38Å; S49-D147 WeakPolarHBondContact CB-OD2 3.44Å; S49-D147 PolarHBondContact N-OD1 3.39Å; S49-D147 PolarHBondContact OG-OD2 3.25Å; D147-K149 PolarHBondContact O-N 2.78Å; D147-K149 VanDerWaalsContact O-N 3.15Å; D147-K149 WeakPolarHBondContact OD1-CB 3.38Å; D147-K149 PolarHBondContact OD1-N 3.25Å; D147-Q150 HydrophobicContact CB-CG 4.37Å; D147-Q150 WeakPolarHBondContact O-CB 3.21Å; D147-Q150 PolarHBondContact O-N 3.3Å
148V95.2Very high97.3Very high1 Ų138.3 Ų38.31%0.00619%0.186CC..Hα-helixtrans-61.4-21.5178.870.10000112.3V18 I20 L44 I52 I136 F144 A146 Q150 L151 H152V18-V148 HydrophobicContact CG1-CG1 4.17Å; V18-V148 HydrophobicContact CG1-CG2 4.18Å; I20-V148 HydrophobicContact CD1-CG1 4.36Å; I20-V148 HydrophobicContact CD1-CG2 3.87Å; L44-V148 HydrophobicContact CD1-CB 3.61Å; L44-V148 HydrophobicContact CD1-CG1 3.89Å; L44-V148 HydrophobicContact CD1-CG2 3.8Å; I52-V148 HydrophobicContact CD1-CG1 4.04Å; I52-V148 HydrophobicContact CG1-CG1 4.32Å; I136-V148 HydrophobicContact CD1-CG2 4.15Å; F144-V148 HydrophobicContact CE1-CB 4.29Å; F144-V148 HydrophobicContact CE1-CG2 4.02Å; A146-V148 PolarHBondContact O-N 3.38Å; V148-Q150 PolarHBondContact O-N 2.68Å; V148-L151 HydrophobicContact CG2-CB 4.47Å; V148-L151 HydrophobicContact CG2-CD2 4.5Å; V148-L151 WeakPolarHBondContact O-CB 3.44Å; V148-L151 PolarHBondContact O-N 3.47Å; V148-H152 PolarHBondContact O-N 3.02Å
149K95.1Very high97.3Very high80 Ų8040.9 Ų40.935%0.34820%0.2SC..Hα-helixtrans-57.4-37.2171-165.8-175.9-158.4142.80112S50 D147 L151 H152 N153S50-K149 WeakPolarHBondContact OG-CD 3.48Å; S50-K149 WeakPolarHBondContact OG-CE 3.44Å; S50-K149 PolarHBondContact OG-NZ 3.4Å; D147-K149 PolarHBondContact O-N 2.78Å; D147-K149 VanDerWaalsContact O-N 3.15Å; D147-K149 WeakPolarHBondContact OD1-CB 3.38Å; D147-K149 PolarHBondContact OD1-N 3.25Å; K149-L151 VanDerWaalsContact C-N 3.27Å; K149-L151 PolarHBondContact O-N 3.47Å; K149-H152 PolarHBondContact O-N 3.43Å; K149-N153 WeakPolarHBondContact O-CB 3.44Å; K149-N153 PolarHBondContact O-N 3.21Å; K149-N153 PolarHBondContact O-OD1 2.55Å
150Q97.7Very high97.2Very high87 Ų8745.8 Ų45.841%0.40722%0.221SC..Hα-helixtrans-65.5-34.3177.4-58.8175.530.700111.8D147 V148 W265D147-Q150 HydrophobicContact CB-CG 4.37Å; D147-Q150 WeakPolarHBondContact O-CB 3.21Å; D147-Q150 PolarHBondContact O-N 3.3Å; V148-Q150 PolarHBondContact O-N 2.68Å; Q150-W265 HydrophobicContact CB-CH2 3.8Å; Q150-W265 HydrophobicContact CB-CZ2 3.68Å
151L98.3Very high97.3Very high0 Ų049.4 Ų49.40%024%0.237CC..Hα-helixtrans-69.2-47.7173.6-179.858.3000110I136 F144 V148 K149 N153 L154 V205 L207 L261 W265I136-L151 HydrophobicContact CD1-CD2 4.31Å; I136-L151 HydrophobicContact CD1-CG 4.23Å; I136-L151 HydrophobicContact CG2-CD2 4.08Å; F144-L151 HydrophobicContact CE1-CD2 4.38Å; V148-L151 HydrophobicContact CG2-CB 4.47Å; V148-L151 HydrophobicContact CG2-CD2 4.5Å; V148-L151 WeakPolarHBondContact O-CB 3.44Å; V148-L151 PolarHBondContact O-N 3.47Å; K149-L151 VanDerWaalsContact C-N 3.27Å; K149-L151 PolarHBondContact O-N 3.47Å; L151-N153 VanDerWaalsContact C-N 3.31Å; L151-N153 PolarHBondContact O-N 3.09Å; L151-L154 HydrophobicContact CD1-CD1 4.06Å; L151-L154 VanDerWaalsContact O-CB 3.26Å; L151-L154 WeakPolarHBondContact O-CB 3.35Å; L151-L154 WeakPolarHBondContact O-CG 3.47Å; L151-L154 PolarHBondContact O-N 3.4Å; L151-V205 HydrophobicContact CD1-CG1 4.4Å; L151-V205 HydrophobicContact CD2-CG1 3.71Å; L151-L207 HydrophobicContact CD1-CD1 3.58Å; L151-L207 HydrophobicContact CD1-CD2 4.35Å; L151-L207 HydrophobicContact CD2-CD1 4.23Å; L151-L207 HydrophobicContact CG-CD1 3.83Å; L151-L207 WeakPolarHBondContact O-CD2 3.38Å; L151-L261 HydrophobicContact CD1-CD1 4.46Å; L151-L261 HydrophobicContact CD1-CD2 4.49Å; L151-W265 HydrophobicContact CB-CD2 4.22Å; L151-W265 HydrophobicContact CB-CE3 3.91Å; L151-W265 HydrophobicContact CB-CH2 3.68Å; L151-W265 HydrophobicContact CB-CZ2 3.93Å; L151-W265 HydrophobicContact CB-CZ3 3.67Å; L151-W265 HydrophobicContact CD1-CB 4.29Å; L151-W265 HydrophobicContact CD1-CD2 3.76Å; L151-W265 HydrophobicContact CD1-CE3 4.01Å; L151-W265 HydrophobicContact CD1-CG 3.9Å; L151-W265 HydrophobicContact CD2-CE3 4.16Å; L151-W265 HydrophobicContact CD2-CZ3 4.45Å; L151-W265 HydrophobicContact CG-CD2 4.44Å; L151-W265 HydrophobicContact CG-CE3 4.24Å; L151-W265 HydrophobicContact CG-CZ3 4.46Å
152H97.6Very high97.4Very high21 Ų2149.5 Ų49.510%0.09724%0.236CC..Hα-helixtrans-57.1-41.9177.5-177.8-92000112.7V18 I136 V148 K149 L154 F155V18-H152 HydrophobicContact CG1-CB 3.99Å; V18-H152 HydrophobicContact CG2-CB 4.11Å; I136-H152 HydrophobicContact CD1-CB 4.12Å; V148-H152 PolarHBondContact O-N 3.02Å; K149-H152 PolarHBondContact O-N 3.43Å; H152-L154 PolarHBondContact O-N 3.12Å; H152-F155 WeakPolarHBondContact O-CB 3.39Å; H152-F155 VanDerWaalsContact O-CD2 3.28Å; H152-F155 WeakPolarHBondContact O-CD2 3.48Å; H152-F155 PolarHBondContact O-N 2.78Å
153N97.5Very high97.5Very high69 Ų6949.5 Ų49.537%0.36924%0.236SC..G310 helixtrans-63.1-14.2178-68.1-2.9000113.3K149 L151 F155 D156K149-N153 WeakPolarHBondContact O-CB 3.44Å; K149-N153 PolarHBondContact O-N 3.21Å; K149-N153 PolarHBondContact O-OD1 2.55Å; L151-N153 VanDerWaalsContact C-N 3.31Å; L151-N153 PolarHBondContact O-N 3.09Å; N153-F155 PolarHBondContact O-N 2.89Å; N153-D156 WeakPolarHBondContact O-CB 3.47Å; N153-D156 PolarHBondContact O-N 3.46Å; N153-D156 VanDerWaalsContact O-N 3.14Å
154L98.5Very high97.5Very high16 Ų1647.6 Ų47.68%0.08423%0.228CC..G310 helixtrans-67.3-20.8172.4-62.4-178.6000112.5L151 H152 D156 Q157 F158 L207 Y259 L261L151-L154 HydrophobicContact CD1-CD1 4.06Å; L151-L154 VanDerWaalsContact O-CB 3.26Å; L151-L154 WeakPolarHBondContact O-CB 3.35Å; L151-L154 WeakPolarHBondContact O-CG 3.47Å; L151-L154 PolarHBondContact O-N 3.4Å; H152-L154 PolarHBondContact O-N 3.12Å; L154-D156 PolarHBondContact O-N 2.89Å; L154-Q157 WeakPolarHBondContact O-CB 3.26Å; L154-Q157 PolarHBondContact O-N 3.43Å; L154-F158 WeakPolarHBondContact O-CD1 3.31Å; L154-F158 WeakPolarHBondContact O-CE1 3.41Å; L154-L207 HydrophobicContact CB-CD2 3.96Å; L154-Y259 HydrophobicContact CB-CE1 4.47Å; L154-L261 HydrophobicContact CD1-CD2 3.69Å
155F98.4Very high97.6Very high2 Ų247.6 Ų47.61%0.00923%0.228CC..G310 helixtrans-58.4-29.5170-79.5-64000112.5R134 I136 H152 N153 Q157 F158 L207 A208 H209R134-F155 HydrophobicContact CB-CD1 4.48Å; R134-F155 HydrophobicContact CB-CD2 3.92Å; R134-F155 HydrophobicContact CB-CE1 4.38Å; R134-F155 HydrophobicContact CB-CE2 3.81Å; R134-F155 HydrophobicContact CB-CG 4.26Å; R134-F155 HydrophobicContact CB-CZ 4.05Å; R134-F155 HydrophobicContact CG-CB 4.41Å; R134-F155 HydrophobicContact CG-CD1 4.15Å; R134-F155 HydrophobicContact CG-CD2 4.16Å; R134-F155 HydrophobicContact CG-CE1 4.43Å; R134-F155 HydrophobicContact CG-CE2 4.45Å; R134-F155 HydrophobicContact CG-CG 4Å; I136-F155 HydrophobicContact CG1-CE2 3.99Å; H152-F155 WeakPolarHBondContact O-CB 3.39Å; H152-F155 VanDerWaalsContact O-CD2 3.28Å; H152-F155 WeakPolarHBondContact O-CD2 3.48Å; H152-F155 PolarHBondContact O-N 2.78Å; N153-F155 PolarHBondContact O-N 2.89Å; F155-Q157 PolarHBondContact O-N 3.08Å; F155-F158 HydrophobicContact CD1-CD2 4.07Å; F155-F158 HydrophobicContact CD1-CE1 4.45Å; F155-F158 AromaticContact CD1-CE2 3.77Å; F155-F158 HydrophobicContact CD1-CE2 3.77Å; F155-F158 AromaticContact CD1-CZ 3.96Å; F155-F158 HydrophobicContact CD1-CZ 3.96Å; F155-F158 AromaticContact CE1-CE2 3.93Å; F155-F158 HydrophobicContact CE1-CE2 3.93Å; F155-F158 HydrophobicContact CE1-CZ 4.17Å; F155-F158 VanDerWaalsContact O-CB 3.32Å; F155-F158 WeakPolarHBondContact O-CB 3.37Å; F155-F158 PolarHBondContact O-N 3.37Å; F155-F158 VanDerWaalsContact O-N 3.12Å; F155-L207 HydrophobicContact CD1-CB 4.4Å; F155-L207 HydrophobicContact CD1-CD2 4.43Å; F155-L207 HydrophobicContact CD2-CD2 4.15Å; F155-L207 HydrophobicContact CD2-CG 4.4Å; F155-L207 HydrophobicContact CE1-CB 3.65Å; F155-L207 HydrophobicContact CE1-CD2 4.37Å; F155-L207 HydrophobicContact CE1-CG 4.17Å; F155-L207 HydrophobicContact CE2-CB 4.17Å; F155-L207 HydrophobicContact CE2-CD2 4.08Å; F155-L207 HydrophobicContact CE2-CG 3.83Å; F155-L207 HydrophobicContact CG-CD2 4.32Å; F155-L207 HydrophobicContact CZ-CB 3.52Å; F155-L207 HydrophobicContact CZ-CD2 4.2Å; F155-L207 HydrophobicContact CZ-CG 3.71Å; F155-A208 VanDerWaalsContact CE1-C 3.46Å; F155-A208 WeakPolarHBondContact CE1-O 3.27Å; F155-A208 WeakPolarHBondContact CZ-O 3.38Å; F155-H209 HydrophobicContact CD1-CB 4.16Å; F155-H209 HydrophobicContact CE1-CB 4.06Å
156D97.4Very high97.7Very high101 Ų10143.1 Ų43.154%0.5421%0.211SC..G310 helixtrans-74.6-8.3179.2-57.3-35.2000112.6R134 N153 L154R134-D156 IonicContact CZ-OD1 3.71Å; R134-D156 IonicContact NH1-OD1 2.77Å; R134-D156 PolarHBondContact NH1-OD1 2.94Å; R134-D156 IonicContact NH2-OD1 3.1Å; R134-D156 PolarHBondContact NH2-OD1 3.18Å; R134-D156 VanDerWaalsContact NH2-OD1 3.1Å; N153-D156 WeakPolarHBondContact O-CB 3.47Å; N153-D156 PolarHBondContact O-N 3.46Å; N153-D156 VanDerWaalsContact O-N 3.14Å; L154-D156 PolarHBondContact O-N 2.89Å
157Q98.2Very high97.8Very high115 Ų11542.4 Ų42.454%0.53721%0.205SC..G310 helixtrans-94.5-1.5172.1-55.2-170.9-2.900112.7L154 F155 Y259L154-Q157 WeakPolarHBondContact O-CB 3.26Å; L154-Q157 PolarHBondContact O-N 3.43Å; F155-Q157 PolarHBondContact O-N 3.08Å; Q157-Y259 HydrophobicContact CB-CE2 3.74Å; Q157-Y259 PolarHBondContact OE1-OH 2.91Å
158F98.6Very high97.9Very high24 Ų2442 Ų4211%0.10520%0.203CC..  trans-76.3139.2176.6-73.329.6000108.7L154 F155 H162 L207 H209 Y259L154-F158 WeakPolarHBondContact O-CD1 3.31Å; L154-F158 WeakPolarHBondContact O-CE1 3.41Å; F155-F158 HydrophobicContact CD1-CD2 4.07Å; F155-F158 HydrophobicContact CD1-CE1 4.45Å; F155-F158 AromaticContact CD1-CE2 3.77Å; F155-F158 HydrophobicContact CD1-CE2 3.77Å; F155-F158 AromaticContact CD1-CZ 3.96Å; F155-F158 HydrophobicContact CD1-CZ 3.96Å; F155-F158 AromaticContact CE1-CE2 3.93Å; F155-F158 HydrophobicContact CE1-CE2 3.93Å; F155-F158 HydrophobicContact CE1-CZ 4.17Å; F155-F158 VanDerWaalsContact O-CB 3.32Å; F155-F158 WeakPolarHBondContact O-CB 3.37Å; F155-F158 PolarHBondContact O-N 3.37Å; F155-F158 VanDerWaalsContact O-N 3.12Å; F158-H162 HydrophobicContact CB-CB 3.79Å; F158-H162 HydrophobicContact CD2-CB 3.74Å; F158-H162 WeakPolarHBondContact CD2-O 3.29Å; F158-H162 HydrophobicContact CG-CB 3.79Å; F158-L207 HydrophobicContact CE1-CD2 4.4Å; F158-L207 HydrophobicContact CZ-CB 3.89Å; F158-L207 HydrophobicContact CZ-CD2 4.21Å; F158-H209 HydrophobicContact CD2-CB 3.86Å; F158-H209 HydrophobicContact CE2-CB 4.1Å; F158-Y259 HydrophobicContact CD1-CD1 4.27Å; F158-Y259 AromaticContact CD1-CD2 3.97Å; F158-Y259 HydrophobicContact CD1-CD2 3.97Å; F158-Y259 AromaticContact CD1-CG 3.72Å; F158-Y259 HydrophobicContact CD1-CG 3.72Å; F158-Y259 VanDerWaalsContact CE1-CB 3.46Å; F158-Y259 AromaticContact CE1-CD1 3.6Å; F158-Y259 HydrophobicContact CE1-CD1 3.6Å; F158-Y259 HydrophobicContact CE1-CD2 4.14Å; F158-Y259 HydrophobicContact CE1-CE1 4.41Å; F158-Y259 AromaticContact CE1-CG 3.45Å; F158-Y259 HydrophobicContact CE1-CG 3.45Å; F158-Y259 VanDerWaalsContact CE1-CG 3.45Å; F158-Y259 HydrophobicContact CZ-CD1 4.38Å; F158-Y259 HydrophobicContact CZ-CG 4.29Å
159N98Very high98.1Very high63 Ų6342 Ų4234%0.33720%0.203SC..  trans-89.2-178.2166.363.522.1000108.7E161 H162 N212N159-E161 PolarHBondContact O-N 2.84Å; N159-E161 WeakPolarHBondContact OD1-CA 3.36Å; N159-E161 PolarHBondContact OD1-N 2.91Å; N159-H162 PolarHBondContact N-ND1 3.5Å; N159-H162 PolarHBondContact ND2-CE1 3.1Å; N159-H162 PolarHBondContact O-N 3.37Å; N159-H162 VanDerWaalsContact OD1-CG 3.27Å; N159-H162 PolarHBondContact OD1-N 3.17Å; N159-H162 PolarHBondContact OD1-ND1 3.4Å; N159-N212 PolarHBondContact O-ND2 2.95Å; N159-N212 VanDerWaalsContact O-ND2 3.08Å
160E96.7Very high98.2Very high161 Ų16138.6 Ų38.675%0.75219%0.188SC*.SBendtrans-63.1-19.6179.161.4-97.9-156.600115
161E98.3Very high98.1Very high92 Ų9235 Ų3543%0.4317%0.171SC..SBendtrans-88.3-31.9-179.7-60.8-171.4120.700112.7N159 I163N159-E161 PolarHBondContact O-N 2.84Å; N159-E161 WeakPolarHBondContact OD1-CA 3.36Å; N159-E161 PolarHBondContact OD1-N 2.91Å; E161-I163 PolarHBondContact O-N 2.98Å; E161-I163 VanDerWaalsContact O-N 3.12Å
162H98.8Very high98.1Very high32 Ų3235 Ų3515%0.14817%0.171CC..  trans-66111.6179.6-66.3144.5000110.4F158 N159 N212 Q256 F258F158-H162 HydrophobicContact CB-CB 3.79Å; F158-H162 HydrophobicContact CD2-CB 3.74Å; F158-H162 WeakPolarHBondContact CD2-O 3.29Å; F158-H162 HydrophobicContact CG-CB 3.79Å; N159-H162 PolarHBondContact N-ND1 3.5Å; N159-H162 PolarHBondContact ND2-CE1 3.1Å; N159-H162 PolarHBondContact O-N 3.37Å; N159-H162 VanDerWaalsContact OD1-CG 3.27Å; N159-H162 PolarHBondContact OD1-N 3.17Å; N159-H162 PolarHBondContact OD1-ND1 3.4Å; H162-N212 PolarHBondContact O-ND2 2.96Å; H162-Q256 PolarHBondContact CD2-O 2.88Å; H162-F258 VanDerWaalsContact CD2-C 3.4Å; H162-F258 PolarHBondContact CD2-O 3.32Å
163I98.8Very high98Very high0 Ų034.3 Ų34.30%017%0.169CC..  trans-101.5-29.3178.454.2161.7000112.3E161 H209 N212 M213 Y219 L257E161-I163 PolarHBondContact O-N 2.98Å; E161-I163 VanDerWaalsContact O-N 3.12Å; I163-H209 PolarHBondContact O-N 3.5Å; I163-N212 HydrophobicContact CG2-CB 3.92Å; I163-M213 HydrophobicContact CB-CG 3.69Å; I163-M213 HydrophobicContact CG2-CG 4.11Å; I163-Y219 HydrophobicContact CD1-CD1 3.92Å; I163-Y219 HydrophobicContact CD1-CD2 3.06Å; I163-Y219 HydrophobicContact CD1-CE1 4.23Å; I163-Y219 HydrophobicContact CD1-CE2 3.42Å; I163-Y219 VanDerWaalsContact CD1-CE2 3.42Å; I163-Y219 HydrophobicContact CD1-CG 3.31Å; I163-L257 HydrophobicContact CD1-CB 4.18Å; I163-L257 HydrophobicContact CD1-CD1 4.36Å; I163-L257 HydrophobicContact CD1-CD2 4.48Å; I163-L257 HydrophobicContact CG1-CB 3.94Å; I163-L257 HydrophobicContact CG1-CD2 4.43Å; I163-L257 WeakPolarHBondContact CG1-O 3.28Å; I163-L257 PolarHBondContact N-O 3.32Å
164I98.9Very high98Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-137.2133.5-173.2-66.2-60.2000109.5L166 L206 L207 A208 M213 Y247 L257 F258 Y259I164-L166 HydrophobicContact CG2-CD1 3.4Å; I164-L166 VanDerWaalsContact CG2-CD1 3.4Å; I164-L166 HydrophobicContact CG2-CG 3.6Å; I164-L206 HydrophobicContact CD1-CD2 3.91Å; I164-L206 HydrophobicContact CG2-CD1 4.37Å; I164-L206 HydrophobicContact CG2-CD2 4.44Å; I164-L206 HydrophobicContact CG2-CG 4.03Å; I164-L207 CarbonylContact C-O 3.53Å; I164-L207 VanDerWaalsContact CA-O 3.22Å; I164-L207 WeakPolarHBondContact CA-O 3.28Å; I164-A208 HydrophobicContact CD1-CB 3.81Å; I164-M213 HydrophobicContact CD1-CE 4.29Å; I164-M213 HydrophobicContact CD1-SD 3.92Å; I164-Y247 HydrophobicContact CD1-CE1 4.29Å; I164-Y247 HydrophobicContact CG1-CD1 4.35Å; I164-Y247 HydrophobicContact CG1-CE1 3.78Å; I164-L257 PolarHBondContact N-O 3.17Å; I164-F258 HydrophobicContact CB-CD1 3.87Å; I164-F258 HydrophobicContact CB-CE1 3.87Å; I164-F258 HydrophobicContact CG1-CE1 4.5Å; I164-F258 HydrophobicContact CG2-CD1 3.95Å; I164-F258 HydrophobicContact CG2-CE1 3.94Å; I164-F258 VanDerWaalsContact O-CA 3.31Å; I164-F258 WeakPolarHBondContact O-CA 3.44Å; I164-Y259 PolarHBondContact O-N 3.45Å
165G98.9Very high98Very high0 Ų031.5 Ų31.50%015%0.153CC..EExtended strand (participates in β ladder)trans-107.3123.7168.800000111.5L206 L207 Y259G165-L206 WeakPolarHBondContact O-CA 3.49Å; G165-L207 PolarHBondContact N-O 2.9Å; G165-L207 PolarHBondContact O-N 3.46Å; G165-Y259 WeakPolarHBondContact CA-O 3.28Å
166L98.8Very high97.8Very high0 Ų035.3 Ų35.30%017%0.174CC..EExtended strand (participates in β ladder)trans-139.5148.8-179.3-74.5159.5000111.4I164 F201 N202 L206 Y247 F258 Y259 L261I164-L166 HydrophobicContact CG2-CD1 3.4Å; I164-L166 VanDerWaalsContact CG2-CD1 3.4Å; I164-L166 HydrophobicContact CG2-CG 3.6Å; L166-F201 HydrophobicContact CB-CB 3.96Å; L166-F201 HydrophobicContact CB-CD1 3.54Å; L166-F201 HydrophobicContact CB-CD2 4.46Å; L166-F201 HydrophobicContact CB-CE1 4.11Å; L166-F201 HydrophobicContact CB-CG 3.76Å; L166-F201 HydrophobicContact CD1-CB 3.87Å; L166-F201 HydrophobicContact CD1-CD2 4.06Å; L166-F201 HydrophobicContact CD1-CG 3.95Å; L166-F201 HydrophobicContact CG-CB 4.42Å; L166-F201 HydrophobicContact CG-CG 4.49Å; L166-N202 VanDerWaalsContact CD2-O 3.28Å; L166-N202 WeakPolarHBondContact CD2-O 3.08Å; L166-L206 HydrophobicContact CD2-CB 3.61Å; L166-L206 HydrophobicContact CD2-CD1 3.97Å; L166-L206 HydrophobicContact CD2-CG 3.78Å; L166-L206 HydrophobicContact CG-CB 4.47Å; L166-L206 HydrophobicContact CG-CG 4.23Å; L166-Y247 HydrophobicContact CD1-CD2 4.04Å; L166-Y247 HydrophobicContact CD1-CG 4.02Å; L166-F258 HydrophobicContact CD1-CD1 4.33Å; L166-F258 HydrophobicContact CD1-CE1 4.24Å; L166-Y259 PolarHBondContact N-O 2.94Å; L166-Y259 VanDerWaalsContact N-O 3.08Å; L166-L261 PolarHBondContact O-N 2.9Å
167A98.6Very high97.8Very high0 Ų031.1 Ų31.10%015%0.151CC..EExtended strand (participates in β ladder)trans-82.1152.5167.500000110F201 N202 L261 N266A167-F201 WeakPolarHBondContact O-CA 3.35Å; A167-N202 PolarHBondContact O-N 2.93Å; A167-L261 HydrophobicContact CB-CB 4.17Å; A167-N266 HydrophobicContact CB-CB 3.65Å
168L98.6Very high97.8Very high17 Ų1725.7 Ų25.79%0.08913%0.126CC..EExtended strand (participates in β ladder)trans-64149.4173.5-68.8-167.4000111.7Q170 P194 F198 G200 F201 R260L168-Q170 PolarHBondContact O-N 3.26Å; L168-P194 HydrophobicContact CD1-CB 4.2Å; L168-P194 HydrophobicContact CD1-CG 4.43Å; L168-F198 HydrophobicContact CD2-CD2 3.76Å; L168-F198 HydrophobicContact CD2-CE2 3.75Å; L168-G200 CarbonylContact C-O 3.6Å; L168-G200 VanDerWaalsContact CA-O 3.28Å; L168-G200 WeakPolarHBondContact CA-O 3.41Å; L168-G200 WeakPolarHBondContact CD2-O 3.38Å; L168-F201 HydrophobicContact CD2-CD1 3.93Å; L168-F201 HydrophobicContact CD2-CE1 3.8Å; L168-R260 HydrophobicContact CG-CG 4.43Å
169E98.3Very high97.8Very high3 Ų326.3 Ų26.31%0.01413%0.133CC..PPolyproline II helixtrans-64.8122170.7-177.748.2-90.600109.5Q171 V173 Y174 S199 G200 N202 Q244 Q268E169-Q171 VanDerWaalsContact C-N 3.26Å; E169-Q171 HydrophobicContact CG-CB 4.46Å; E169-Q171 WeakPolarHBondContact CG-O 3.38Å; E169-Q171 WeakPolarHBondContact OE1-CB 3.14Å; E169-Q171 WeakPolarHBondContact OE1-CG 3.4Å; E169-Q171 PolarHBondContact OE1-N 3.08Å; E169-V173 HydrophobicContact CG-CB 4.47Å; E169-Y174 HydrophobicContact CB-CD2 4Å; E169-Y174 HydrophobicContact CB-CE2 4.04Å; E169-Y174 HydrophobicContact CG-CD2 3.85Å; E169-Y174 HydrophobicContact CG-CE2 3.89Å; E169-S199 WeakPolarHBondContact O-CB 3.3Å; E169-S199 PolarHBondContact O-OG 2.84Å; E169-G200 PolarHBondContact N-O 3.28Å; E169-N202 PolarHBondContact OE2-ND2 3.41Å; E169-Q244 PolarHBondContact OE2-NE2 3.2Å; E169-Q268 PolarHBondContact OE1-NE2 2.57Å; E169-Q268 PolarHBondContact OE1-OE1 2.86Å
170Q97.8Very high97.8Very high8 Ų827.4 Ų27.44%0.03714%0.143CC..SBendtrans-89.67-179.5-74.4-171.5-16.900112.5L168 Q268 Y285L168-Q170 PolarHBondContact O-N 3.26Å; Q170-Q268 HydrophobicContact CB-CB 4.12Å; Q170-Q268 HydrophobicContact CB-CG 4.17Å; Q170-Y285 WeakPolarHBondContact CA-O 3.22Å; Q170-Y285 CarbonylContact O-C 3.55Å; Q170-Y285 WeakPolarHBondContact O-CB 3.42Å
171Q96.3Very high97.9Very high11 Ų1121.6 Ų21.65%0.05111%0.114CC..SBendtrans-118.2149.4174.6-53.3-161.5-6200111.6E169 V173 C270 W273E169-Q171 VanDerWaalsContact C-N 3.26Å; E169-Q171 HydrophobicContact CG-CB 4.46Å; E169-Q171 WeakPolarHBondContact CG-O 3.38Å; E169-Q171 WeakPolarHBondContact OE1-CB 3.14Å; E169-Q171 WeakPolarHBondContact OE1-CG 3.4Å; E169-Q171 PolarHBondContact OE1-N 3.08Å; Q171-V173 HydrophobicContact CB-CG2 3.98Å; Q171-V173 PolarHBondContact O-N 3.18Å; Q171-C270 PolarHBondContact NE2-O 3.4Å; Q171-C270 PolarHBondContact NE2-SG 3.19Å; Q171-W273 HydrophobicContact CB-CG 4.41Å
172P96.5Very high97.8Very high0 Ų020.7 Ų20.70%011%0.107CC..THydrogen-bonded Turntrans-75.836.9178.133-38.2000113.3L175 W273 Y277 Y285P172-L175 HydrophobicContact CB-CB 4.06Å; P172-L175 HydrophobicContact CB-CD2 4.15Å; P172-L175 WeakPolarHBondContact O-CB 3.47Å; P172-L175 PolarHBondContact O-N 2.67Å; P172-W273 HydrophobicContact CG-CB 3.73Å; P172-W273 HydrophobicContact CG-CD2 4.25Å; P172-W273 HydrophobicContact CG-CE3 4.39Å; P172-W273 HydrophobicContact CG-CG 4.02Å; P172-Y277 HydrophobicContact CB-CD2 3.92Å; P172-Y277 HydrophobicContact CB-CE2 3.83Å; P172-Y277 HydrophobicContact CG-CD2 3.33Å; P172-Y277 HydrophobicContact CG-CE2 3.61Å; P172-Y277 HydrophobicContact CG-CG 4.31Å; P172-Y285 HydrophobicContact CB-CD1 4.36Å; P172-Y285 HydrophobicContact CB-CD2 3.87Å; P172-Y285 HydrophobicContact CB-CE1 4.24Å; P172-Y285 HydrophobicContact CB-CE2 3.75Å; P172-Y285 HydrophobicContact CB-CG 4.2Å
173V96.3Very high97.8Very high6 Ų625 Ų254%0.03613%0.131CC..Hα-helixtrans-61.8-49.2178176.30000110E169 Q171 L175 N176 I177 L241 W273E169-V173 HydrophobicContact CG-CB 4.47Å; Q171-V173 HydrophobicContact CB-CG2 3.98Å; Q171-V173 PolarHBondContact O-N 3.18Å; V173-L175 VanDerWaalsContact C-N 3.31Å; V173-L175 PolarHBondContact O-N 3.31Å; V173-N176 WeakPolarHBondContact O-CB 3.23Å; V173-N176 PolarHBondContact O-N 2.91Å; V173-N176 VanDerWaalsContact O-N 3.12Å; V173-I177 HydrophobicContact CG1-CD1 3.72Å; V173-I177 HydrophobicContact CG1-CG1 4.37Å; V173-I177 PolarHBondContact O-N 3.37Å; V173-L241 HydrophobicContact CG1-CD1 3.81Å; V173-W273 HydrophobicContact CB-CZ2 4.39Å; V173-W273 HydrophobicContact CG2-CZ2 4.02Å
174Y98.3Very high97.8Very high0 Ų028.6 Ų28.60%016%0.161CC..Hα-helixtrans-80.2-13.2-176.3-63.5-71.9000113.7E169 N176 I177 F178 G191 S199 F237 Q244 D245 T248E169-Y174 HydrophobicContact CB-CD2 4Å; E169-Y174 HydrophobicContact CB-CE2 4.04Å; E169-Y174 HydrophobicContact CG-CD2 3.85Å; E169-Y174 HydrophobicContact CG-CE2 3.89Å; Y174-N176 PolarHBondContact O-N 2.9Å; Y174-I177 HydrophobicContact CD1-CB 4.06Å; Y174-I177 HydrophobicContact CD1-CD1 3.81Å; Y174-I177 HydrophobicContact CD1-CG1 4.42Å; Y174-I177 HydrophobicContact CD1-CG2 4.4Å; Y174-I177 HydrophobicContact CE1-CD1 3.72Å; Y174-F178 HydrophobicContact CD1-CE2 4.32Å; Y174-F178 WeakPolarHBondContact O-CB 3.31Å; Y174-F178 WeakPolarHBondContact O-CD2 2.93Å; Y174-F178 PolarHBondContact O-N 2.94Å; Y174-G191 WeakPolarHBondContact O-CA 3.45Å; Y174-S199 WeakPolarHBondContact CB-O 3.32Å; Y174-S199 WeakPolarHBondContact CD2-O 3.43Å; Y174-F237 HydrophobicContact CD1-CE2 4.14Å; Y174-F237 HydrophobicContact CD1-CZ 4.32Å; Y174-F237 HydrophobicContact CE1-CE2 4.19Å; Y174-F237 AromaticContact CE1-CZ 3.93Å; Y174-F237 HydrophobicContact CE1-CZ 3.93Å; Y174-Q244 WeakPolarHBondContact OH-CG 3.22Å; Y174-Q244 PolarHBondContact OH-NE2 3.25Å; Y174-Q244 VanDerWaalsContact OH-NE2 3.12Å; Y174-D245 WeakPolarHBondContact CE1-OD1 3.49Å; Y174-D245 VanDerWaalsContact CZ-OD1 3.26Å; Y174-D245 PolarHBondContact OH-OD1 3.24Å; Y174-T248 HydrophobicContact CD1-CG2 3.52Å; Y174-T248 HydrophobicContact CD2-CG2 4.15Å; Y174-T248 HydrophobicContact CE1-CG2 3.57Å; Y174-T248 HydrophobicContact CE2-CG2 4.14Å; Y174-T248 HydrophobicContact CG-CG2 3.83Å
175L97.1Very high97.8Very high26 Ų2631.4 Ų31.414%0.13618%0.176CC..Hα-helixtrans-57.6-41.5163-177.460.8000110.4P172 V173 S179 G191 Y277 I281 Y285P172-L175 HydrophobicContact CB-CB 4.06Å; P172-L175 HydrophobicContact CB-CD2 4.15Å; P172-L175 WeakPolarHBondContact O-CB 3.47Å; P172-L175 PolarHBondContact O-N 2.67Å; V173-L175 VanDerWaalsContact C-N 3.31Å; V173-L175 PolarHBondContact O-N 3.31Å; L175-S179 PolarHBondContact O-N 3.39Å; L175-G191 WeakPolarHBondContact CA-O 3.31Å; L175-G191 WeakPolarHBondContact CB-O 3.46Å; L175-G191 PolarHBondContact N-O 3.45Å; L175-Y277 HydrophobicContact CD2-CE1 4.23Å; L175-I281 HydrophobicContact CD2-CG2 4.05Å; L175-Y285 WeakPolarHBondContact CB-OH 3.19Å; L175-Y285 HydrophobicContact CD2-CE2 4.45Å
176N94.3Very high97.6Very high83 Ų8337 Ų3744%0.44421%0.212SC..Hα-helixtrans-77.8-45.3176.9-173.572.6000112.2V173 Y174 F178 S179 W273V173-N176 WeakPolarHBondContact O-CB 3.23Å; V173-N176 PolarHBondContact O-N 2.91Å; V173-N176 VanDerWaalsContact O-N 3.12Å; Y174-N176 PolarHBondContact O-N 2.9Å; N176-F178 VanDerWaalsContact C-N 3.31Å; N176-F178 PolarHBondContact O-N 3.5Å; N176-S179 VanDerWaalsContact O-CB 3.32Å; N176-S179 WeakPolarHBondContact O-CB 3.35Å; N176-S179 PolarHBondContact O-N 3.02Å; N176-S179 VanDerWaalsContact O-N 3.12Å; N176-S179 PolarHBondContact O-OG 3.42Å; N176-S179 VanDerWaalsContact O-OG 3.09Å; N176-W273 HydrophobicContact CB-CH2 4.35Å
177I97.7Very high97.5Very high12 Ų1242 Ų426%0.06225%0.247CC..Hα-helixtrans-64.8-35.8-176.5-65.1175.5000111.8V173 Y174 F237V173-I177 HydrophobicContact CG1-CD1 3.72Å; V173-I177 HydrophobicContact CG1-CG1 4.37Å; V173-I177 PolarHBondContact O-N 3.37Å; Y174-I177 HydrophobicContact CD1-CB 4.06Å; Y174-I177 HydrophobicContact CD1-CD1 3.81Å; Y174-I177 HydrophobicContact CD1-CG1 4.42Å; Y174-I177 HydrophobicContact CD1-CG2 4.4Å; Y174-I177 HydrophobicContact CE1-CD1 3.72Å; I177-F237 HydrophobicContact CG2-CD1 4.15Å; I177-F237 HydrophobicContact CG2-CD2 3.54Å; I177-F237 HydrophobicContact CG2-CE1 4Å; I177-F237 HydrophobicContact CG2-CE2 3.41Å; I177-F237 VanDerWaalsContact CG2-CE2 3.41Å; I177-F237 HydrophobicContact CG2-CG 3.93Å; I177-F237 HydrophobicContact CG2-CZ 3.66Å
178F98.4Very high97.5Very high1 Ų143.4 Ų43.40%0.00426%0.255CS..THydrogen-bonded Turntrans-89.46.6175.3-71.7-68.3000114Y174 N176 T180 Y181 R182 L190 Y235 F237 T248 A252Y174-F178 HydrophobicContact CD1-CE2 4.32Å; Y174-F178 WeakPolarHBondContact O-CB 3.31Å; Y174-F178 WeakPolarHBondContact O-CD2 2.93Å; Y174-F178 PolarHBondContact O-N 2.94Å; N176-F178 VanDerWaalsContact C-N 3.31Å; N176-F178 PolarHBondContact O-N 3.5Å; F178-T180 PolarHBondContact O-N 3.29Å; F178-Y181 PolarHBondContact O-N 3.31Å; F178-R182 HydrophobicContact CB-CG 4.25Å; F178-R182 WeakPolarHBondContact O-CG 3.46Å; F178-R182 PolarHBondContact O-N 3.26Å; F178-L190 HydrophobicContact CD1-CB 4.39Å; F178-L190 HydrophobicContact CD1-CD1 4.45Å; F178-L190 HydrophobicContact CD2-CB 4.16Å; F178-L190 HydrophobicContact CE1-CD1 4.22Å; F178-L190 HydrophobicContact CE2-CB 4.4Å; F178-L190 HydrophobicContact CG-CB 4.16Å; F178-Y235 HydrophobicContact CE1-CD1 4.38Å; F178-Y235 HydrophobicContact CE1-CG 4.37Å; F178-F237 HydrophobicContact CD1-CD2 4.02Å; F178-F237 AromaticContact CE1-CD2 3.48Å; F178-F237 HydrophobicContact CE1-CD2 3.48Å; F178-F237 VanDerWaalsContact CE1-CD2 3.48Å; F178-F237 HydrophobicContact CE1-CE2 4Å; F178-F237 HydrophobicContact CE2-CD2 4.31Å; F178-F237 HydrophobicContact CE2-CE2 4.02Å; F178-F237 AromaticContact CZ-CD2 3.64Å; F178-F237 HydrophobicContact CZ-CD2 3.64Å; F178-F237 AromaticContact CZ-CE2 3.64Å; F178-F237 HydrophobicContact CZ-CE2 3.64Å; F178-T248 HydrophobicContact CE2-CG2 3.76Å; F178-T248 HydrophobicContact CZ-CG2 4.13Å; F178-A252 HydrophobicContact CE1-CB 4.39Å; F178-A252 HydrophobicContact CZ-CB 4.14Å
179S97.4Very high97.4Very high37 Ų3748.1 Ų48.126%0.25928%0.277SS..Hα-helixtrans-55.4-49.7-169.868.10000112.9L175 N176 Y181 R182 D183L175-S179 PolarHBondContact O-N 3.39Å; N176-S179 VanDerWaalsContact O-CB 3.32Å; N176-S179 WeakPolarHBondContact O-CB 3.35Å; N176-S179 PolarHBondContact O-N 3.02Å; N176-S179 VanDerWaalsContact O-N 3.12Å; N176-S179 PolarHBondContact O-OG 3.42Å; N176-S179 VanDerWaalsContact O-OG 3.09Å; S179-Y181 VanDerWaalsContact C-N 3.29Å; S179-Y181 PolarHBondContact O-N 3.37Å; S179-R182 PolarHBondContact O-N 3.14Å; S179-R182 VanDerWaalsContact O-N 3.15Å; S179-D183 VanDerWaalsContact O-CG 3.26Å; S179-D183 PolarHBondContact O-N 3.22Å
180T98.4Very high97.4Very high87 Ų8749 Ų4953%0.53428%0.281SS..Hα-helixtrans-58.7-40.2178.4-54.40000112.3F178 A184 A236F178-T180 PolarHBondContact O-N 3.29Å; T180-A184 PolarHBondContact O-N 2.93Å; T180-A236 HydrophobicContact CG2-CB 3.86Å
181Y98.6Very high97.5Very high39 Ų3948.6 Ų48.615%0.15328%0.28CS..Hα-helixtrans-70.2-40.1178.1-178.7-96.6000111.8F178 S179 A184 N185 T188 L190 K234 Y235F178-Y181 PolarHBondContact O-N 3.31Å; S179-Y181 VanDerWaalsContact C-N 3.29Å; S179-Y181 PolarHBondContact O-N 3.37Å; Y181-A184 CarbonylContact O-C 3.21Å; Y181-A184 PolarHBondContact O-N 3.18Å; Y181-N185 HydrophobicContact CD1-CB 4.47Å; Y181-N185 WeakPolarHBondContact CD2-ND2 3.26Å; Y181-N185 HydrophobicContact CE1-CB 4.09Å; Y181-N185 VanDerWaalsContact CE2-ND2 3.3Å; Y181-N185 WeakPolarHBondContact CE2-ND2 3.44Å; Y181-N185 WeakPolarHBondContact O-CB 3.36Å; Y181-N185 PolarHBondContact O-N 3.41Å; Y181-N185 PolarHBondContact O-ND2 2.8Å; Y181-T188 HydrophobicContact CD1-CG2 4.07Å; Y181-T188 HydrophobicContact CE1-CG2 4.09Å; Y181-L190 HydrophobicContact CD1-CD1 4.13Å; Y181-L190 HydrophobicContact CE1-CD1 3.8Å; Y181-K234 WeakPolarHBondContact CD2-O 3.38Å; Y181-K234 WeakPolarHBondContact CE2-O 3.47Å; Y181-Y235 WeakPolarHBondContact CB-O 3.46Å; Y181-Y235 HydrophobicContact CD1-CD1 4.18Å; Y181-Y235 HydrophobicContact CD2-CD1 4.07Å; Y181-Y235 AromaticContact CE1-CD1 3.91Å; Y181-Y235 HydrophobicContact CE1-CD1 3.91Å; Y181-Y235 HydrophobicContact CE1-CE1 4.16Å; Y181-Y235 AromaticContact CE2-CD1 3.77Å; Y181-Y235 HydrophobicContact CE2-CD1 3.77Å; Y181-Y235 HydrophobicContact CE2-CE1 4.23Å; Y181-Y235 HydrophobicContact CG-CD1 4.25Å; Y181-Y235 AromaticContact CZ-CD1 3.69Å; Y181-Y235 AromaticContact CZ-CE1 3.81Å
182R98.1Very high97.5Very high72 Ų7249.2 Ų49.227%0.27229%0.285SS..Hα-helixtrans-64.2-39.6176.4-67.9172.466-92.6-8.7112.1F178 S179 A184 N185 P186 T188 L190F178-R182 HydrophobicContact CB-CG 4.25Å; F178-R182 WeakPolarHBondContact O-CG 3.46Å; F178-R182 PolarHBondContact O-N 3.26Å; S179-R182 PolarHBondContact O-N 3.14Å; S179-R182 VanDerWaalsContact O-N 3.15Å; R182-A184 VanDerWaalsContact C-N 3.28Å; R182-A184 PolarHBondContact O-N 3.3Å; R182-N185 CarbonylContact O-C 3.1Å; R182-N185 PolarHBondContact O-N 2.78Å; R182-N185 VanDerWaalsContact O-N 3.16Å; R182-P186 WeakPolarHBondContact O-CA 3.45Å; R182-T188 HydrophobicContact CB-CG2 4.15Å; R182-T188 HydrophobicContact CG-CG2 3.69Å; R182-L190 WeakPolarHBondContact CD-O 3.29Å; R182-L190 WeakPolarHBondContact CG-O 3.39Å
183D98.1Very high97.6Very high124 Ų12450.8 Ų50.866%0.66330%0.295SS*.Hα-helixtrans-62.6-39.2176.4-66.9-15.9000111S179S179-D183 VanDerWaalsContact O-CG 3.26Å; S179-D183 PolarHBondContact O-N 3.22Å
184A98.3Very high97.5Very high75 Ų7552 Ų5262%0.6230%0.303SS*.Hα-helixtrans-77.5-20.6175.200000113.9T180 Y181 R182T180-A184 PolarHBondContact O-N 2.93Å; Y181-A184 CarbonylContact O-C 3.21Å; Y181-A184 PolarHBondContact O-N 3.18Å; R182-A184 VanDerWaalsContact C-N 3.28Å; R182-A184 PolarHBondContact O-N 3.3Å
185N98.3Very high97.3Very high59 Ų5957.1 Ų57.132%0.31634%0.337SS..  trans-134.472.5-176.2-58.5-91.9000110.8Y181 R182 S187 T188Y181-N185 HydrophobicContact CD1-CB 4.47Å; Y181-N185 WeakPolarHBondContact CD2-ND2 3.26Å; Y181-N185 HydrophobicContact CE1-CB 4.09Å; Y181-N185 VanDerWaalsContact CE2-ND2 3.3Å; Y181-N185 WeakPolarHBondContact CE2-ND2 3.44Å; Y181-N185 WeakPolarHBondContact O-CB 3.36Å; Y181-N185 PolarHBondContact O-N 3.41Å; Y181-N185 PolarHBondContact O-ND2 2.8Å; R182-N185 CarbonylContact O-C 3.1Å; R182-N185 PolarHBondContact O-N 2.78Å; R182-N185 VanDerWaalsContact O-N 3.16Å; N185-S187 PolarHBondContact O-N 3.49Å; N185-T188 HydrophobicContact CB-CG2 4.35Å; N185-T188 WeakPolarHBondContact O-CB 3.46Å; N185-T188 WeakPolarHBondContact O-CG2 3.42Å; N185-T188 PolarHBondContact O-N 2.91Å
186P96.2Very high97Very high117 Ų11762.3 Ų62.376%0.7636%0.364SS*.THydrogen-bonded Turntrans-62.2-19.3-169.9-26.135.9000115.5R182 T188R182-P186 WeakPolarHBondContact O-CA 3.45Å; P186-T188 VanDerWaalsContact C-N 3.32Å
187S96.4Very high97.2Very high105 Ų10558.7 Ų58.773%0.73435%0.347SS*.THydrogen-bonded Turntrans-82.2-5.3175.356.80000113.8N185N185-S187 PolarHBondContact O-N 3.49Å
188T97.7Very high97.2Very high29 Ų2960 Ų6018%0.17835%0.352CS..  trans-72.6144.4-178.7-1640000112.4Y181 R182 N185 P186 L190Y181-T188 HydrophobicContact CD1-CG2 4.07Å; Y181-T188 HydrophobicContact CE1-CG2 4.09Å; R182-T188 HydrophobicContact CB-CG2 4.15Å; R182-T188 HydrophobicContact CG-CG2 3.69Å; N185-T188 HydrophobicContact CB-CG2 4.35Å; N185-T188 WeakPolarHBondContact O-CB 3.46Å; N185-T188 WeakPolarHBondContact O-CG2 3.42Å; N185-T188 PolarHBondContact O-N 2.91Å; P186-T188 VanDerWaalsContact C-N 3.32Å; T188-L190 WeakPolarHBondContact OG1-CG 3.41Å; T188-L190 PolarHBondContact OG1-N 2.77Å
189H97.6Very high97.2Very high117 Ų11759.9 Ų59.954%0.54235%0.352SS..  trans-95.9-2.4175.5-62.3-68.8000113S192 F198H189-S192 WeakPolarHBondContact O-CB 3.47Å; H189-S192 PolarHBondContact O-N 3.22Å; H189-F198 PolarHBondContact O-N 3.16Å
190L98.5Very high97.2Very high21 Ų2158.1 Ų58.111%0.1134%0.34CS..BIsolated β-bridgetrans-66.5133.7-179.5-60.2177.3000111.2F178 Y181 R182 T188 S192 F198 Y235 A252F178-L190 HydrophobicContact CD1-CB 4.39Å; F178-L190 HydrophobicContact CD1-CD1 4.45Å; F178-L190 HydrophobicContact CD2-CB 4.16Å; F178-L190 HydrophobicContact CE1-CD1 4.22Å; F178-L190 HydrophobicContact CE2-CB 4.4Å; F178-L190 HydrophobicContact CG-CB 4.16Å; Y181-L190 HydrophobicContact CD1-CD1 4.13Å; Y181-L190 HydrophobicContact CE1-CD1 3.8Å; R182-L190 WeakPolarHBondContact CD-O 3.29Å; R182-L190 WeakPolarHBondContact CG-O 3.39Å; T188-L190 WeakPolarHBondContact OG1-CG 3.41Å; T188-L190 PolarHBondContact OG1-N 2.77Å; L190-S192 PolarHBondContact O-N 3.19Å; L190-F198 HydrophobicContact CD2-CB 4.4Å; L190-F198 HydrophobicContact CD2-CD1 3.71Å; L190-F198 HydrophobicContact CD2-CG 4.5Å; L190-Y235 HydrophobicContact CD1-CD1 3.68Å; L190-Y235 HydrophobicContact CD1-CE1 3.55Å; L190-A252 HydrophobicContact CD1-CB 3.73Å; L190-A252 HydrophobicContact CD2-CB 3.68Å; L190-A252 HydrophobicContact CG-CB 4.37Å
191G98.2Very high97.3Very high0 Ų054.4 Ų54.40%032%0.316CS..THydrogen-bonded Turntrans74.6-9.9-176.500000114.8Y174 L175 F198 Y285Y174-G191 WeakPolarHBondContact O-CA 3.45Å; L175-G191 WeakPolarHBondContact CA-O 3.31Å; L175-G191 WeakPolarHBondContact CB-O 3.46Å; L175-G191 PolarHBondContact N-O 3.45Å; G191-F198 WeakPolarHBondContact CA-O 3.39Å; G191-F198 PolarHBondContact N-O 3.21Å; G191-Y285 WeakPolarHBondContact O-CE1 3.27Å; G191-Y285 PolarHBondContact O-OH 3.21Å
192S97.8Very high97.3Very high23 Ų2352.9 Ų52.916%0.16131%0.311CS..PPolyproline II helixtrans-77.2155.3177.3-63.20000111.2H189 L190 G197 F198 S199H189-S192 WeakPolarHBondContact O-CB 3.47Å; H189-S192 PolarHBondContact O-N 3.22Å; L190-S192 PolarHBondContact O-N 3.19Å; S192-G197 CarbonylContact O-C 3.57Å; S192-G197 WeakPolarHBondContact O-CA 3.3Å; S192-F198 CarbonylContact O-C 3.49Å; S192-F198 VanDerWaalsContact O-C 3.32Å; S192-F198 PolarHBondContact O-N 3.45Å; S192-S199 WeakPolarHBondContact O-CA 3.37Å; S192-S199 PolarHBondContact O-N 3.36Å
193P97.4Very high97.3Very high33 Ų3350.1 Ų50.121%0.21430%0.302CS..PPolyproline II helixtrans-73.3154.7-177.729.8-33000112.5G197 K284 Y285P193-G197 WeakPolarHBondContact O-CA 3.47Å; P193-G197 PolarHBondContact O-N 2.9Å; P193-K284 HydrophobicContact CB-CB 3.73Å; P193-K284 HydrophobicContact CG-CB 3.87Å; P193-K284 HydrophobicContact CG-CD 4.37Å; P193-Y285 HydrophobicContact CB-CD1 4.14Å; P193-Y285 HydrophobicContact CB-CD2 3.92Å; P193-Y285 HydrophobicContact CB-CE1 4.01Å; P193-Y285 HydrophobicContact CB-CE2 3.77Å; P193-Y285 HydrophobicContact CB-CG 4.08Å; P193-Y285 WeakPolarHBondContact CD-OH 3.44Å; P193-Y285 HydrophobicContact CG-CE2 4.07Å
194P95.8Very high97.3Very high32 Ų3244.2 Ų44.221%0.20827%0.271CS..THydrogen-bonded Turntrans-62162.7169.828.5-35.1000112.2L168L168-P194 HydrophobicContact CD1-CB 4.2Å; L168-P194 HydrophobicContact CD1-CG 4.43Å
195P92.8Very high97.3Very high108 Ų10840.7 Ų40.770%0.70124%0.241SC*.THydrogen-bonded Turncis-78.2-30.27.130.8-34.6000114.3
196D92.2Very high97.3Very high134 Ų13437.9 Ų37.972%0.71723%0.226SC*.THydrogen-bonded Turntrans-85.9-18-171.1-53.4-38.1000113.2
197G96.7Very high97.5Very high8 Ų832.3 Ų32.38%0.08219%0.19CC..SBendtrans-90.5155.4176.900000114S192 P193S192-G197 CarbonylContact O-C 3.57Å; S192-G197 WeakPolarHBondContact O-CA 3.3Å; P193-G197 WeakPolarHBondContact O-CA 3.47Å; P193-G197 PolarHBondContact O-N 2.9Å
198F98.3Very high97.6Very high38 Ų3827.3 Ų27.317%0.16716%0.155CC..BIsolated β-bridgetrans-101.298.8166.2175.8-119.8000109.1L168 H189 L190 G191 S192 G200 F201 T248 A251L168-F198 HydrophobicContact CD2-CD2 3.76Å; L168-F198 HydrophobicContact CD2-CE2 3.75Å; H189-F198 PolarHBondContact O-N 3.16Å; L190-F198 HydrophobicContact CD2-CB 4.4Å; L190-F198 HydrophobicContact CD2-CD1 3.71Å; L190-F198 HydrophobicContact CD2-CG 4.5Å; G191-F198 WeakPolarHBondContact CA-O 3.39Å; G191-F198 PolarHBondContact N-O 3.21Å; S192-F198 CarbonylContact O-C 3.49Å; S192-F198 VanDerWaalsContact O-C 3.32Å; S192-F198 PolarHBondContact O-N 3.45Å; F198-G200 PolarHBondContact O-N 3.47Å; F198-G200 VanDerWaalsContact O-N 3.12Å; F198-F201 HydrophobicContact CE2-CD1 4.3Å; F198-F201 HydrophobicContact CE2-CD2 4.09Å; F198-F201 HydrophobicContact CE2-CE1 4.07Å; F198-F201 AromaticContact CE2-CE2 3.85Å; F198-F201 HydrophobicContact CE2-CE2 3.85Å; F198-F201 HydrophobicContact CE2-CG 4.31Å; F198-F201 AromaticContact CE2-CZ 3.83Å; F198-F201 HydrophobicContact CE2-CZ 3.83Å; F198-F201 AromaticContact CZ-CD2 3.85Å; F198-F201 HydrophobicContact CZ-CD2 3.85Å; F198-F201 AromaticContact CZ-CE2 3.83Å; F198-F201 HydrophobicContact CZ-CE2 3.83Å; F198-F201 HydrophobicContact CZ-CG 4.35Å; F198-F201 HydrophobicContact CZ-CZ 4.29Å; F198-T248 HydrophobicContact CE1-CG2 3.93Å; F198-T248 HydrophobicContact CZ-CG2 4.27Å; F198-A251 HydrophobicContact CE1-CB 4.11Å; F198-A251 HydrophobicContact CE2-CB 4.49Å; F198-A251 HydrophobicContact CZ-CB 3.67Å
199S98.3Very high97.6Very high0 Ų026.9 Ų26.90%015%0.151CC..  trans-74.94.6-178.556.90000114.2E169 Y174 S192E169-S199 WeakPolarHBondContact O-CB 3.3Å; E169-S199 PolarHBondContact O-OG 2.84Å; Y174-S199 WeakPolarHBondContact CB-O 3.32Å; Y174-S199 WeakPolarHBondContact CD2-O 3.43Å; S192-S199 WeakPolarHBondContact O-CA 3.37Å; S192-S199 PolarHBondContact O-N 3.36Å
200G98.6Very high97.6Very high0 Ų021.3 Ų21.30%013%0.125CC..  trans84.3177.5-168.700000112.3L168 E169 F198L168-G200 CarbonylContact C-O 3.6Å; L168-G200 VanDerWaalsContact CA-O 3.28Å; L168-G200 WeakPolarHBondContact CA-O 3.41Å; L168-G200 WeakPolarHBondContact CD2-O 3.38Å; E169-G200 PolarHBondContact N-O 3.28Å; F198-G200 PolarHBondContact O-N 3.47Å; F198-G200 VanDerWaalsContact O-N 3.12Å
201F98.7Very high97.6Very high9 Ų922.8 Ų22.84%0.03913%0.133CC..EExtended strand (participates in β ladder)trans-104.5158.5178.5-72.4-56000112L166 A167 L168 F198 Q244 T248 A251 F258L166-F201 HydrophobicContact CB-CB 3.96Å; L166-F201 HydrophobicContact CB-CD1 3.54Å; L166-F201 HydrophobicContact CB-CD2 4.46Å; L166-F201 HydrophobicContact CB-CE1 4.11Å; L166-F201 HydrophobicContact CB-CG 3.76Å; L166-F201 HydrophobicContact CD1-CB 3.87Å; L166-F201 HydrophobicContact CD1-CD2 4.06Å; L166-F201 HydrophobicContact CD1-CG 3.95Å; L166-F201 HydrophobicContact CG-CB 4.42Å; L166-F201 HydrophobicContact CG-CG 4.49Å; A167-F201 WeakPolarHBondContact O-CA 3.35Å; L168-F201 HydrophobicContact CD2-CD1 3.93Å; L168-F201 HydrophobicContact CD2-CE1 3.8Å; F198-F201 HydrophobicContact CE2-CD1 4.3Å; F198-F201 HydrophobicContact CE2-CD2 4.09Å; F198-F201 HydrophobicContact CE2-CE1 4.07Å; F198-F201 AromaticContact CE2-CE2 3.85Å; F198-F201 HydrophobicContact CE2-CE2 3.85Å; F198-F201 HydrophobicContact CE2-CG 4.31Å; F198-F201 AromaticContact CE2-CZ 3.83Å; F198-F201 HydrophobicContact CE2-CZ 3.83Å; F198-F201 AromaticContact CZ-CD2 3.85Å; F198-F201 HydrophobicContact CZ-CD2 3.85Å; F198-F201 AromaticContact CZ-CE2 3.83Å; F198-F201 HydrophobicContact CZ-CE2 3.83Å; F198-F201 HydrophobicContact CZ-CG 4.35Å; F198-F201 HydrophobicContact CZ-CZ 4.29Å; F201-Q244 WeakPolarHBondContact O-CG 3.28Å; F201-Q244 PolarHBondContact O-NE2 3.34Å; F201-Q244 VanDerWaalsContact O-NE2 3.09Å; F201-T248 PolarHBondContact N-OG1 2.93Å; F201-A251 HydrophobicContact CD2-CB 4.07Å; F201-A251 HydrophobicContact CE2-CB 3.5Å; F201-A251 VanDerWaalsContact CE2-CB 3.5Å; F201-A251 HydrophobicContact CZ-CB 4.48Å; F201-F258 HydrophobicContact CD2-CD1 4.22Å; F201-F258 HydrophobicContact CD2-CE1 4.44Å; F201-F258 HydrophobicContact CE2-CB 3.86Å; F201-F258 AromaticContact CE2-CD1 3.64Å; F201-F258 HydrophobicContact CE2-CD1 3.64Å; F201-F258 HydrophobicContact CE2-CD2 4.17Å; F201-F258 HydrophobicContact CE2-CE1 4.2Å; F201-F258 AromaticContact CE2-CG 3.61Å; F201-F258 HydrophobicContact CE2-CG 3.61Å; F201-F258 HydrophobicContact CZ-CB 3.73Å; F201-F258 HydrophobicContact CZ-CD1 4.23Å; F201-F258 HydrophobicContact CZ-CG 4.03Å
202N98.7Very high97.6Very high7 Ų724 Ų244%0.03714%0.14CC..EExtended strand (participates in β ladder)trans-116.4124.1165.7-173.3-83.4000111.8L166 A167 E169 G204 Q244 N266 Q268 H296L166-N202 VanDerWaalsContact CD2-O 3.28Å; L166-N202 WeakPolarHBondContact CD2-O 3.08Å; A167-N202 PolarHBondContact O-N 2.93Å; E169-N202 PolarHBondContact OE2-ND2 3.41Å; N202-G204 PolarHBondContact OD1-N 2.91Å; N202-Q244 VanDerWaalsContact CA-CD 3.48Å; N202-Q244 PolarHBondContact ND2-OE1 2.86Å; N202-N266 PolarHBondContact O-ND2 3.43Å; N202-N266 PolarHBondContact OD1-ND2 3.43Å; N202-Q268 VanDerWaalsContact CG-NE2 3.34Å; N202-Q268 PolarHBondContact ND2-NE2 2.86Å; N202-H296 PolarHBondContact OD1-CE1 3.4Å; N202-H296 VanDerWaalsContact OD1-CE1 3.25Å; N202-H296 PolarHBondContact OD1-ND1 2.98Å
203S98.1Very high97.7Very high14 Ų1422.9 Ų22.910%0.09813%0.132CC..EExtended strand (participates in β ladder)trans-88.63.3-17360.20000115.2V205 D243 Q244S203-V205 PolarHBondContact O-N 2.84Å; S203-V205 VanDerWaalsContact O-N 3.12Å; S203-D243 WeakPolarHBondContact CB-OD1 3.2Å; S203-D243 PolarHBondContact OG-OD1 3.32Å; S203-Q244 WeakPolarHBondContact OG-CB 3.46Å
204G98.2Very high97.7Very high0 Ų024.5 Ų24.50%013%0.134CC..EExtended strand (participates in β ladder)trans-59-26.5175.600000113.5L138 D139 L142 N202L138-G204 CarbonylContact C-O 3.55Å; L138-G204 WeakPolarHBondContact CA-O 3.46Å; D139-G204 PolarHBondContact N-O 3.34Å; D139-G204 WeakPolarHBondContact OD2-CA 3.06Å; L142-G204 WeakPolarHBondContact CD1-O 3.4Å; N202-G204 PolarHBondContact OD1-N 2.91Å
205V98.9Very high97.8Very high0 Ų029.1 Ų29.10%016%0.157CC..EExtended strand (participates in β ladder)trans-131.4111.1166.9-1800000109.1L138 L142 L151 S203 L207 L261 W265 N266 V294L138-V205 HydrophobicContact CD2-CB 4.29Å; L138-V205 HydrophobicContact CD2-CG1 4Å; L138-V205 HydrophobicContact CD2-CG2 3.92Å; L142-V205 HydrophobicContact CD1-CG2 3.65Å; L142-V205 HydrophobicContact CD2-CG2 4.22Å; L151-V205 HydrophobicContact CD1-CG1 4.4Å; L151-V205 HydrophobicContact CD2-CG1 3.71Å; S203-V205 PolarHBondContact O-N 2.84Å; S203-V205 VanDerWaalsContact O-N 3.12Å; V205-L207 HydrophobicContact CG1-CD1 4.48Å; V205-L261 HydrophobicContact CG1-CD1 4.34Å; V205-W265 VanDerWaalsContact CG2-O 3.32Å; V205-W265 WeakPolarHBondContact CG2-O 3.45Å; V205-N266 HydrophobicContact CB-CB 4.26Å; V205-N266 HydrophobicContact CG2-CB 4.26Å; V205-N266 PolarHBondContact N-ND2 3.34Å; V205-V294 HydrophobicContact CG2-CG1 4.26Å
206L98.8Very high98.1Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-131.3126-173.2178.7163.4000110.7I136 F137 I164 G165 L166 A208 Y247I136-L206 CarbonylContact C-O 3.39Å; I136-L206 WeakPolarHBondContact CA-O 3.25Å; F137-L206 HydrophobicContact CB-CB 4.15Å; F137-L206 HydrophobicContact CB-CD2 4.2Å; F137-L206 HydrophobicContact CD2-CD2 3.72Å; F137-L206 HydrophobicContact CG-CD2 4.26Å; F137-L206 PolarHBondContact N-O 3.37Å; F137-L206 PolarHBondContact O-N 3.27Å; I164-L206 HydrophobicContact CD1-CD2 3.91Å; I164-L206 HydrophobicContact CG2-CD1 4.37Å; I164-L206 HydrophobicContact CG2-CD2 4.44Å; I164-L206 HydrophobicContact CG2-CG 4.03Å; G165-L206 WeakPolarHBondContact O-CA 3.49Å; L166-L206 HydrophobicContact CD2-CB 3.61Å; L166-L206 HydrophobicContact CD2-CD1 3.97Å; L166-L206 HydrophobicContact CD2-CG 3.78Å; L166-L206 HydrophobicContact CG-CB 4.47Å; L166-L206 HydrophobicContact CG-CG 4.23Å; L206-A208 HydrophobicContact CD2-CB 3.83Å; L206-Y247 HydrophobicContact CD1-CD2 3.98Å; L206-Y247 HydrophobicContact CD1-CE2 3.33Å
207L98.9Very high98.4Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-98.3111174.6-89.265.6000109.4I136 L151 L154 F155 F158 I164 G165 V205 L261I136-L207 HydrophobicContact CG1-CD1 4.31Å; I136-L207 HydrophobicContact CG1-CG 4.22Å; I136-L207 HydrophobicContact CG2-CD1 4.27Å; L151-L207 HydrophobicContact CD1-CD1 3.58Å; L151-L207 HydrophobicContact CD1-CD2 4.35Å; L151-L207 HydrophobicContact CD2-CD1 4.23Å; L151-L207 HydrophobicContact CG-CD1 3.83Å; L151-L207 WeakPolarHBondContact O-CD2 3.38Å; L154-L207 HydrophobicContact CB-CD2 3.96Å; F155-L207 HydrophobicContact CD1-CB 4.4Å; F155-L207 HydrophobicContact CD1-CD2 4.43Å; F155-L207 HydrophobicContact CD2-CD2 4.15Å; F155-L207 HydrophobicContact CD2-CG 4.4Å; F155-L207 HydrophobicContact CE1-CB 3.65Å; F155-L207 HydrophobicContact CE1-CD2 4.37Å; F155-L207 HydrophobicContact CE1-CG 4.17Å; F155-L207 HydrophobicContact CE2-CB 4.17Å; F155-L207 HydrophobicContact CE2-CD2 4.08Å; F155-L207 HydrophobicContact CE2-CG 3.83Å; F155-L207 HydrophobicContact CG-CD2 4.32Å; F155-L207 HydrophobicContact CZ-CB 3.52Å; F155-L207 HydrophobicContact CZ-CD2 4.2Å; F155-L207 HydrophobicContact CZ-CG 3.71Å; F158-L207 HydrophobicContact CE1-CD2 4.4Å; F158-L207 HydrophobicContact CZ-CB 3.89Å; F158-L207 HydrophobicContact CZ-CD2 4.21Å; I164-L207 CarbonylContact C-O 3.53Å; I164-L207 VanDerWaalsContact CA-O 3.22Å; I164-L207 WeakPolarHBondContact CA-O 3.28Å; G165-L207 PolarHBondContact N-O 2.9Å; G165-L207 PolarHBondContact O-N 3.46Å; V205-L207 HydrophobicContact CG1-CD1 4.48Å; L207-L261 HydrophobicContact CD1-CD1 4.07Å; L207-L261 HydrophobicContact CD1-CD2 4.3Å; L207-L261 HydrophobicContact CD2-CD2 4.13Å
208A98.9Very high98.4Very high0 Ų028.6 Ų28.60%015%0.145CC..EExtended strand (participates in β ladder)trans-100.1115.8177.700000111.1R134 L135 F137 F155 I164 L206 M210 M213R134-A208 WeakPolarHBondContact CA-O 3.18Å; L135-A208 PolarHBondContact N-O 3.13Å; L135-A208 PolarHBondContact O-N 2.99Å; F137-A208 HydrophobicContact CD2-CB 4.08Å; F137-A208 HydrophobicContact CE2-CB 3.82Å; F155-A208 VanDerWaalsContact CE1-C 3.46Å; F155-A208 WeakPolarHBondContact CE1-O 3.27Å; F155-A208 WeakPolarHBondContact CZ-O 3.38Å; I164-A208 HydrophobicContact CD1-CB 3.81Å; L206-A208 HydrophobicContact CD2-CB 3.83Å; A208-M210 HydrophobicContact CB-SD 3.45Å; A208-M210 WeakPolarHBondContact CB-SD 3.4Å; A208-M210 PolarHBondContact O-N 3.16Å; A208-M213 HydrophobicContact CB-SD 4.09Å
209H98.7Very high98.4Very high21 Ų2126.8 Ų26.810%0.09714%0.137CC..EExtended strand (participates in β ladder)trans-90.286.8172.2-164.6-48.3000108.7S133 F155 F158 I163 D211 N212 M213S133-H209 CarbonylContact O-C 3.57Å; F155-H209 HydrophobicContact CD1-CB 4.16Å; F155-H209 HydrophobicContact CE1-CB 4.06Å; F158-H209 HydrophobicContact CD2-CB 3.86Å; F158-H209 HydrophobicContact CE2-CB 4.1Å; I163-H209 PolarHBondContact O-N 3.5Å; H209-D211 VanDerWaalsContact C-N 3.3Å; H209-D211 PolarHBondContact O-N 2.91Å; H209-N212 HydrophobicContact CB-CB 4.23Å; H209-N212 PolarHBondContact CE1-OD1 2.77Å; H209-N212 VanDerWaalsContact CE1-OD1 3.31Å; H209-N212 PolarHBondContact ND1-N 3.49Å; H209-N212 PolarHBondContact ND1-OD1 2.81Å; H209-N212 PolarHBondContact O-N 2.75Å; H209-M213 WeakPolarHBondContact O-CG 3.36Å; H209-M213 PolarHBondContact O-N 2.96Å
210M98.2Very high98.4Very high0 Ų028.8 Ų28.80%015%0.147CC..Hα-helixtrans-60.2-35.7-169.3-44.8-57.1-68.200113.3S125 H126 I132 S133 L135 A208 M213 R214S125-M210 VanDerWaalsContact CB-CE 3.47Å; S125-M210 VanDerWaalsContact O-CE 3.27Å; S125-M210 WeakPolarHBondContact O-CE 3.33Å; S125-M210 WeakPolarHBondContact OG-CE 3.4Å; H126-M210 HydrophobicContact CB-CE 3.97Å; I132-M210 HydrophobicContact CG2-CG 4.41Å; I132-M210 WeakPolarHBondContact O-CB 3.48Å; I132-M210 VanDerWaalsContact O-CG 3.25Å; I132-M210 WeakPolarHBondContact O-CG 3.48Å; S133-M210 WeakPolarHBondContact O-CA 3.36Å; S133-M210 VanDerWaalsContact O-CB 3.28Å; S133-M210 WeakPolarHBondContact O-CB 3.15Å; S133-M210 WeakPolarHBondContact O-CG 3.5Å; S133-M210 PolarHBondContact O-N 2.81Å; L135-M210 HydrophobicContact CB-CG 4.4Å; L135-M210 HydrophobicContact CB-SD 4.13Å; A208-M210 HydrophobicContact CB-SD 3.45Å; A208-M210 WeakPolarHBondContact CB-SD 3.4Å; A208-M210 PolarHBondContact O-N 3.16Å; M210-M213 WeakPolarHBondContact O-CB 3.48Å; M210-M213 PolarHBondContact O-N 2.85Å; M210-M213 HydrophobicContact SD-SD 4.16Å; M210-R214 WeakPolarHBondContact O-CG 3.26Å; M210-R214 PolarHBondContact O-N 2.84Å
211D97.8Very high98.4Very high52 Ų5231.6 Ų31.628%0.27817%0.167SC..Hα-helixtrans-67.7-47.6176.3-73.6-36.4000112.3S133 H209 M213 R214 N215S133-D211 WeakPolarHBondContact CB-OD2 3.45Å; S133-D211 PolarHBondContact OG-OD2 3.32Å; H209-D211 VanDerWaalsContact C-N 3.3Å; H209-D211 PolarHBondContact O-N 2.91Å; D211-M213 VanDerWaalsContact C-N 3.27Å; D211-M213 PolarHBondContact O-N 2.82Å; D211-R214 WeakPolarHBondContact O-CB 3.5Å; D211-R214 PolarHBondContact O-N 3.36Å; D211-R214 VanDerWaalsContact O-N 3.09Å; D211-R214 IonicContact OD1-CZ 3.38Å; D211-R214 IonicContact OD1-NE 3.55Å; D211-R214 PolarHBondContact OD1-NE 3.12Å; D211-R214 IonicContact OD1-NH2 3.39Å; D211-R214 PolarHBondContact OD1-NH2 2.89Å; D211-N215 WeakPolarHBondContact O-CB 3.47Å; D211-N215 PolarHBondContact O-N 3.38Å; D211-N215 PolarHBondContact O-ND2 3.42Å
212N98.6Very high98.4Very high25 Ų2531.2 Ų31.213%0.13417%0.165CC..Hα-helixtrans-57.9-41.4172.5-65.94.3000110.8N159 H162 I163 H209 R214 N215 S216N159-N212 PolarHBondContact O-ND2 2.95Å; N159-N212 VanDerWaalsContact O-ND2 3.08Å; H162-N212 PolarHBondContact O-ND2 2.96Å; I163-N212 HydrophobicContact CG2-CB 3.92Å; H209-N212 HydrophobicContact CB-CB 4.23Å; H209-N212 PolarHBondContact CE1-OD1 2.77Å; H209-N212 VanDerWaalsContact CE1-OD1 3.31Å; H209-N212 PolarHBondContact ND1-N 3.49Å; H209-N212 PolarHBondContact ND1-OD1 2.81Å; H209-N212 PolarHBondContact O-N 2.75Å; N212-R214 VanDerWaalsContact C-N 3.35Å; N212-R214 PolarHBondContact O-N 2.95Å; N212-N215 PolarHBondContact O-N 3.25Å; N212-S216 WeakPolarHBondContact O-CB 3.32Å; N212-S216 PolarHBondContact O-N 2.96Å
213M98.7Very high98.4Very high0 Ų031.5 Ų31.50%017%0.167CC..Hα-helixtrans-60.6-40.6174.3-68.2172.378.100112.6H126 I163 I164 A208 H209 M210 D211 Y219 N220H126-M213 HydrophobicContact CB-CB 3.66Å; H126-M213 HydrophobicContact CB-CE 4.27Å; H126-M213 HydrophobicContact CB-SD 4.27Å; H126-M213 PolarHBondContact CD2-O 2.77Å; I163-M213 HydrophobicContact CB-CG 3.69Å; I163-M213 HydrophobicContact CG2-CG 4.11Å; I164-M213 HydrophobicContact CD1-CE 4.29Å; I164-M213 HydrophobicContact CD1-SD 3.92Å; A208-M213 HydrophobicContact CB-SD 4.09Å; H209-M213 WeakPolarHBondContact O-CG 3.36Å; H209-M213 PolarHBondContact O-N 2.96Å; M210-M213 WeakPolarHBondContact O-CB 3.48Å; M210-M213 PolarHBondContact O-N 2.85Å; M210-M213 HydrophobicContact SD-SD 4.16Å; D211-M213 VanDerWaalsContact C-N 3.27Å; D211-M213 PolarHBondContact O-N 2.82Å; M213-Y219 HydrophobicContact CB-CD1 4.2Å; M213-Y219 HydrophobicContact CB-CE1 4.26Å; M213-Y219 HydrophobicContact CE-CD1 4.49Å; M213-Y219 HydrophobicContact CE-CE1 3.48Å; M213-Y219 VanDerWaalsContact CE-CE1 3.48Å; M213-Y219 HydrophobicContact CG-CD1 4.35Å; M213-Y219 HydrophobicContact CG-CE1 4.19Å; M213-N220 PolarHBondContact O-ND2 2.84Å
214R98Very high98.3Very high66 Ų6634.9 Ų34.925%0.24918%0.184CC..Hα-helixtrans-65.2-43.5175.6-76.8-177.6-82.1-91.67.3112H126 F129 P130 I132 M210 D211 N212H126-R214 HydrophobicContact CB-CG 4.05Å; H126-R214 PolarHBondContact O-NH1 3.25Å; F129-R214 PolarHBondContact O-NH1 2.7Å; P130-R214 PolarHBondContact O-NH1 2.98Å; I132-R214 PolarHBondContact O-NH1 2.86Å; I132-R214 PolarHBondContact O-NH2 3.08Å; M210-R214 WeakPolarHBondContact O-CG 3.26Å; M210-R214 PolarHBondContact O-N 2.84Å; D211-R214 WeakPolarHBondContact O-CB 3.5Å; D211-R214 PolarHBondContact O-N 3.36Å; D211-R214 VanDerWaalsContact O-N 3.09Å; D211-R214 IonicContact OD1-CZ 3.38Å; D211-R214 IonicContact OD1-NE 3.55Å; D211-R214 PolarHBondContact OD1-NE 3.12Å; D211-R214 IonicContact OD1-NH2 3.39Å; D211-R214 PolarHBondContact OD1-NH2 2.89Å; N212-R214 VanDerWaalsContact C-N 3.35Å; N212-R214 PolarHBondContact O-N 2.95Å
215N97.9Very high98.3Very high129 Ų12937.4 Ų37.469%0.6920%0.199SC*.Hα-helixtrans-83.5-18.6-173.6-65.7-27000113.5D211 N212 L217D211-N215 WeakPolarHBondContact O-CB 3.47Å; D211-N215 PolarHBondContact O-N 3.38Å; D211-N215 PolarHBondContact O-ND2 3.42Å; N212-N215 PolarHBondContact O-N 3.25Å; N215-L217 PolarHBondContact O-N 3.19Å; N215-L217 VanDerWaalsContact O-N 3.16Å
216S98.6Very high98.2Very high18 Ų1841.2 Ų41.213%0.12623%0.226CC..  trans-77.2102.4-178.8-179.80000111.9N212 Q218 Y219 N220N212-S216 WeakPolarHBondContact O-CB 3.32Å; N212-S216 PolarHBondContact O-N 2.96Å; S216-Q218 PolarHBondContact O-N 3.48Å; S216-Y219 PolarHBondContact O-N 2.79Å; S216-Y219 WeakPolarHBondContact OG-CB 3.18Å; S216-Y219 PolarHBondContact OG-N 3.27Å; S216-N220 PolarHBondContact O-N 3.44Å; S216-N220 VanDerWaalsContact O-N 3.09Å; S216-N220 PolarHBondContact O-ND2 3.25Å
217L98Very high98.2Very high154 Ų15443.4 Ų43.481%0.80624%0.239SC*.Hα-helixtrans-59.8-38.5170.3-66.4178.5000111.4N215 N220 S221N215-L217 PolarHBondContact O-N 3.19Å; N215-L217 VanDerWaalsContact O-N 3.16Å; L217-N220 PolarHBondContact O-N 3.12Å; L217-S221 WeakPolarHBondContact O-CB 3.33Å; L217-S221 PolarHBondContact O-N 3.14Å
218Q98Very high98.1Very high68 Ų6843.5 Ų43.532%0.31824%0.24SC..Hα-helixtrans-59.9-51.5177.9-175.3172.252.600110.6S216 N220 S221 L222 H254S216-Q218 PolarHBondContact O-N 3.48Å; Q218-N220 PolarHBondContact O-N 3.03Å; Q218-S221 PolarHBondContact O-N 2.99Å; Q218-S221 PolarHBondContact O-OG 3.48Å; Q218-L222 WeakPolarHBondContact O-CG 3.41Å; Q218-L222 PolarHBondContact O-N 3.09Å; Q218-H254 PolarHBondContact NE2-CE1 3.26Å; Q218-H254 PolarHBondContact NE2-ND1 3.14Å
219Y98.7Very high98.1Very high0 Ų044.9 Ų44.90%025%0.247CC..Hα-helixtrans-61.5-47179.3-179.3-119.2000112.7I123 H126 I163 M213 S216 S221 L222 F246 I250I123-Y219 WeakPolarHBondContact CA-OH 3.49Å; I123-Y219 PolarHBondContact O-OH 3.02Å; H126-Y219 AromaticContact CE1-CE1 3.72Å; I163-Y219 HydrophobicContact CD1-CD1 3.92Å; I163-Y219 HydrophobicContact CD1-CD2 3.06Å; I163-Y219 HydrophobicContact CD1-CE1 4.23Å; I163-Y219 HydrophobicContact CD1-CE2 3.42Å; I163-Y219 VanDerWaalsContact CD1-CE2 3.42Å; I163-Y219 HydrophobicContact CD1-CG 3.31Å; M213-Y219 HydrophobicContact CB-CD1 4.2Å; M213-Y219 HydrophobicContact CB-CE1 4.26Å; M213-Y219 HydrophobicContact CE-CD1 4.49Å; M213-Y219 HydrophobicContact CE-CE1 3.48Å; M213-Y219 VanDerWaalsContact CE-CE1 3.48Å; M213-Y219 HydrophobicContact CG-CD1 4.35Å; M213-Y219 HydrophobicContact CG-CE1 4.19Å; S216-Y219 PolarHBondContact O-N 2.79Å; S216-Y219 WeakPolarHBondContact OG-CB 3.18Å; S216-Y219 PolarHBondContact OG-N 3.27Å; Y219-S221 PolarHBondContact O-N 3.32Å; Y219-L222 HydrophobicContact CD2-CD1 4.41Å; Y219-L222 VanDerWaalsContact O-CB 3.32Å; Y219-L222 WeakPolarHBondContact O-CB 3.38Å; Y219-L222 PolarHBondContact O-N 3.41Å; Y219-F246 AromaticContact CE2-CE1 3.91Å; Y219-F246 HydrophobicContact CE2-CE1 3.91Å; Y219-F246 HydrophobicContact CE2-CZ 4.13Å; Y219-I250 HydrophobicContact CD2-CD1 4.2Å; Y219-I250 HydrophobicContact CE2-CD1 3.99Å
220N98.6Very high98Very high42 Ų4246.6 Ų46.623%0.22527%0.265CS..Hα-helixtrans-65.7-26.4-178.8-74.3-77000112.5H126 K127 M213 S216 L217 Q218 L222 L223H126-N220 PolarHBondContact NE2-OD1 3.22Å; K127-N220 WeakPolarHBondContact CE-OD1 3.44Å; M213-N220 PolarHBondContact O-ND2 2.84Å; S216-N220 PolarHBondContact O-N 3.44Å; S216-N220 VanDerWaalsContact O-N 3.09Å; S216-N220 PolarHBondContact O-ND2 3.25Å; L217-N220 PolarHBondContact O-N 3.12Å; Q218-N220 PolarHBondContact O-N 3.03Å; N220-L222 VanDerWaalsContact C-N 3.3Å; N220-L222 PolarHBondContact O-N 2.99Å; N220-L223 WeakPolarHBondContact O-CB 3.47Å; N220-L223 PolarHBondContact O-N 3Å
221S97.9Very high98.1Very high58 Ų5847.4 Ų47.441%0.40627%0.269SS..Hα-helixtrans-67.8-28.1172.381.50000113.4L217 Q218 Y219 L223 N224 T227L217-S221 WeakPolarHBondContact O-CB 3.33Å; L217-S221 PolarHBondContact O-N 3.14Å; Q218-S221 PolarHBondContact O-N 2.99Å; Q218-S221 PolarHBondContact O-OG 3.48Å; Y219-S221 PolarHBondContact O-N 3.32Å; S221-L223 PolarHBondContact O-N 3.48Å; S221-N224 WeakPolarHBondContact O-CB 3.29Å; S221-N224 PolarHBondContact O-N 2.75Å; S221-T227 WeakPolarHBondContact O-CB 3.24Å; S221-T227 PolarHBondContact O-OG1 3.07Å
222L98.3Very high98.1Very high1 Ų145 Ų451%0.00526%0.256CS..Hα-helixtrans-74-16.1177.3-61.1166.8000112.7Q218 Y219 N220 N224 T227 L231 F246 I250 L257Q218-L222 WeakPolarHBondContact O-CG 3.41Å; Q218-L222 PolarHBondContact O-N 3.09Å; Y219-L222 HydrophobicContact CD2-CD1 4.41Å; Y219-L222 VanDerWaalsContact O-CB 3.32Å; Y219-L222 WeakPolarHBondContact O-CB 3.38Å; Y219-L222 PolarHBondContact O-N 3.41Å; N220-L222 VanDerWaalsContact C-N 3.3Å; N220-L222 PolarHBondContact O-N 2.99Å; L222-N224 PolarHBondContact O-N 3.23Å; L222-T227 HydrophobicContact CD2-CG2 4Å; L222-L231 HydrophobicContact CD2-CD1 3.6Å; L222-F246 HydrophobicContact CB-CZ 4.44Å; L222-I250 HydrophobicContact CB-CG2 4.43Å; L222-I250 HydrophobicContact CD1-CB 4.06Å; L222-I250 HydrophobicContact CD1-CD1 3.9Å; L222-I250 HydrophobicContact CD1-CG2 4.11Å; L222-I250 HydrophobicContact CD2-CG2 4.33Å; L222-L257 HydrophobicContact CD1-CD1 3.76Å
223L98.1Very high98.1Very high13 Ų1350.2 Ų50.27%0.06828%0.278CS..THydrogen-bonded Turntrans-76.1-10.8173.4-54.3-176.9000112.3I123 V124 N220 S221 F246I123-L223 HydrophobicContact CG2-CD2 3.39Å; V124-L223 HydrophobicContact CG1-CD1 4.47Å; N220-L223 WeakPolarHBondContact O-CB 3.47Å; N220-L223 PolarHBondContact O-N 3Å; S221-L223 PolarHBondContact O-N 3.48Å; L223-F246 HydrophobicContact CD2-CZ 4.09Å
224N97.3Very high98.1Very high86 Ų8655.2 Ų55.246%0.4630%0.299SS..SBendtrans-73.4131174.3-170.8-60.7000110.9S221 L222 S226 T227 I228S221-N224 WeakPolarHBondContact O-CB 3.29Å; S221-N224 PolarHBondContact O-N 2.75Å; L222-N224 PolarHBondContact O-N 3.23Å; N224-S226 VanDerWaalsContact C-N 3.3Å; N224-S226 PolarHBondContact O-N 3.49Å; N224-S226 PolarHBondContact OD1-N 3.45Å; N224-S226 PolarHBondContact OD1-OG 2.97Å; N224-T227 WeakPolarHBondContact O-CB 3.1Å; N224-T227 PolarHBondContact O-N 2.58Å; N224-I228 PolarHBondContact O-N 3.01Å
225V97Very high98.1Very high52 Ų5252.6 Ų52.632%0.31529%0.29SS..Hα-helixtrans-55.9-39.6-179.2175.30000112.8Q101 F102 D229Q101-V225 HydrophobicContact CB-CG1 3.69Å; Q101-V225 HydrophobicContact CB-CG2 4.36Å; F102-V225 HydrophobicContact CB-CG2 4.33Å; V225-D229 WeakPolarHBondContact O-CB 3.37Å; V225-D229 PolarHBondContact O-N 2.92Å
226S97.4Very high98.1Very high80 Ų8048.5 Ų48.556%0.55927%0.274SS*.Hα-helixtrans-70.6-39.3-179.567.50000111.9N224 A230N224-S226 VanDerWaalsContact C-N 3.3Å; N224-S226 PolarHBondContact O-N 3.49Å; N224-S226 PolarHBondContact OD1-N 3.45Å; N224-S226 PolarHBondContact OD1-OG 2.97Å; S226-A230 WeakPolarHBondContact O-CB 3.47Å; S226-A230 PolarHBondContact O-N 3.21Å
227T98Very high98.1Very high47 Ų4747.9 Ų47.929%0.28827%0.269SS..Hα-helixtrans-61.1-51.9175.8-52.80000110.5S221 L222 N224 A230 L231S221-T227 WeakPolarHBondContact O-CB 3.24Å; S221-T227 PolarHBondContact O-OG1 3.07Å; L222-T227 HydrophobicContact CD2-CG2 4Å; N224-T227 WeakPolarHBondContact O-CB 3.1Å; N224-T227 PolarHBondContact O-N 2.58Å; T227-A230 PolarHBondContact O-N 3.31Å; T227-L231 PolarHBondContact O-N 3Å
228I97.5Very high98Very high2 Ų246.2 Ų46.21%0.0126%0.255CS..Hα-helixtrans-71.5-33.3-176.2-160.259.8000112.5F102 F106 N224 A230 L231 A232 F246 L249 I250F102-I228 HydrophobicContact CD2-CG2 3.91Å; F102-I228 HydrophobicContact CE2-CB 4.34Å; F102-I228 HydrophobicContact CE2-CG1 4.43Å; F102-I228 HydrophobicContact CE2-CG2 3.9Å; F106-I228 HydrophobicContact CE2-CD1 4.46Å; F106-I228 HydrophobicContact CE2-CG1 3.68Å; F106-I228 HydrophobicContact CZ-CD1 3.87Å; F106-I228 HydrophobicContact CZ-CG1 3.48Å; F106-I228 VanDerWaalsContact CZ-CG1 3.48Å; N224-I228 PolarHBondContact O-N 3.01Å; I228-A230 VanDerWaalsContact C-N 3.34Å; I228-L231 HydrophobicContact CD1-CD1 4.31Å; I228-L231 PolarHBondContact O-N 3.18Å; I228-A232 WeakPolarHBondContact O-CB 3.27Å; I228-A232 PolarHBondContact O-N 2.85Å; I228-F246 HydrophobicContact CD1-CD2 3.8Å; I228-F246 HydrophobicContact CD1-CE2 3.66Å; I228-F246 HydrophobicContact CG1-CD2 4.09Å; I228-F246 HydrophobicContact CG1-CE2 4.1Å; I228-L249 HydrophobicContact CD1-CD2 3.97Å; I228-I250 HydrophobicContact CD1-CG2 3.67Å
229D97.8Very high97.9Very high29 Ų2943.1 Ų43.116%0.15524%0.242CC..Hα-helixtrans-66.2-36.5172.8-176.675.2000111.5K104 H105 V225 K233K104-D229 IonicContact NZ-OD1 2.86Å; K104-D229 PolarHBondContact NZ-OD1 3.25Å; H105-D229 IonicContact CD2-OD1 3.83Å; H105-D229 IonicContact CE1-OD1 3.53Å; H105-D229 IonicContact NE2-OD1 2.74Å; H105-D229 PolarHBondContact NE2-OD1 3.29Å; V225-D229 WeakPolarHBondContact O-CB 3.37Å; V225-D229 PolarHBondContact O-N 2.92Å; D229-K233 VanDerWaalsContact O-CG 3.28Å; D229-K233 WeakPolarHBondContact O-CG 3.39Å; D229-K233 PolarHBondContact O-N 3.21Å; D229-K233 WeakPolarHBondContact OD2-CE 3.32Å; D229-K233 IonicContact OD2-NZ 2.66Å; D229-K233 PolarHBondContact OD2-NZ 2.9Å
230A98.4Very high97.7Very high56 Ų5647 Ų4746%0.46326%0.259SS..Hα-helixtrans-66.2-44.2174.200000112S226 T227 I228 K233 K234S226-A230 WeakPolarHBondContact O-CB 3.47Å; S226-A230 PolarHBondContact O-N 3.21Å; T227-A230 PolarHBondContact O-N 3.31Å; I228-A230 VanDerWaalsContact C-N 3.34Å; A230-K233 PolarHBondContact O-N 3.33Å; A230-K234 WeakPolarHBondContact O-CB 3.36Å; A230-K234 PolarHBondContact O-N 3Å
231L98.5Very high97.5Very high17 Ų1746.3 Ų46.39%0.08926%0.256CS..Hα-helixtrans-62.6-46.4175.2-70.4-179.6000111.7L222 T227 I228 K233 K234 Y235 L249 I250 E253L222-L231 HydrophobicContact CD2-CD1 3.6Å; T227-L231 PolarHBondContact O-N 3Å; I228-L231 HydrophobicContact CD1-CD1 4.31Å; I228-L231 PolarHBondContact O-N 3.18Å; L231-K233 VanDerWaalsContact C-N 3.26Å; L231-K233 PolarHBondContact O-N 3.49Å; L231-K234 WeakPolarHBondContact O-CB 3.41Å; L231-K234 PolarHBondContact O-N 2.75Å; L231-K234 VanDerWaalsContact O-N 3.14Å; L231-Y235 HydrophobicContact CD2-CE2 4.34Å; L231-Y235 WeakPolarHBondContact O-CD2 3.5Å; L231-Y235 PolarHBondContact O-N 3.08Å; L231-L249 HydrophobicContact CB-CD2 4.34Å; L231-L249 HydrophobicContact CB-CG 4.42Å; L231-I250 HydrophobicContact CD1-CG2 4.33Å; L231-E253 HydrophobicContact CD2-CB 4.06Å; L231-E253 HydrophobicContact CD2-CG 3.76Å; L231-E253 WeakPolarHBondContact CD2-OE2 3.37Å
232A98.5Very high97.4Very high2 Ų243.6 Ų43.62%0.01724%0.236CC..Hα-helixtrans-59.8-38.9178.500000111.7H105 I228 A236 F237 L249H105-A232 HydrophobicContact CB-CB 3.83Å; H105-A232 WeakPolarHBondContact CD2-CB 3.35Å; I228-A232 WeakPolarHBondContact O-CB 3.27Å; I228-A232 PolarHBondContact O-N 2.85Å; A232-A236 CarbonylContact O-C 3.58Å; A232-A236 WeakPolarHBondContact O-CA 3.39Å; A232-A236 PolarHBondContact O-N 3.43Å; A232-A236 VanDerWaalsContact O-N 3.1Å; A232-F237 PolarHBondContact O-N 2.91Å; A232-L249 HydrophobicContact CB-CD2 3.89Å
233K98.4Very high97.4Very high135 Ų13544.4 Ų44.459%0.58724%0.241SC*.Hα-helixtrans-66.9-45.6173.2-72.8170.6-176.11650112.6D229 A230 L231 Y235 A236D229-K233 VanDerWaalsContact O-CG 3.28Å; D229-K233 WeakPolarHBondContact O-CG 3.39Å; D229-K233 PolarHBondContact O-N 3.21Å; D229-K233 WeakPolarHBondContact OD2-CE 3.32Å; D229-K233 IonicContact OD2-NZ 2.66Å; D229-K233 PolarHBondContact OD2-NZ 2.9Å; A230-K233 PolarHBondContact O-N 3.33Å; L231-K233 VanDerWaalsContact C-N 3.26Å; L231-K233 PolarHBondContact O-N 3.49Å; K233-Y235 VanDerWaalsContact C-N 3.27Å; K233-Y235 PolarHBondContact O-N 2.92Å; K233-A236 PolarHBondContact O-N 3.42Å; K233-A236 VanDerWaalsContact O-N 3.12Å
234K98.7Very high97.4Very high104 Ų10444.3 Ų44.345%0.45224%0.24SC..Hα-helixtrans-53.8-45.6178.3176-178.1175.3-172.90111.2Y181 A230 L231 E253Y181-K234 WeakPolarHBondContact CD2-O 3.38Å; Y181-K234 WeakPolarHBondContact CE2-O 3.47Å; A230-K234 WeakPolarHBondContact O-CB 3.36Å; A230-K234 PolarHBondContact O-N 3Å; L231-K234 WeakPolarHBondContact O-CB 3.41Å; L231-K234 PolarHBondContact O-N 2.75Å; L231-K234 VanDerWaalsContact O-N 3.14Å; K234-E253 WeakPolarHBondContact CE-OE2 3.45Å; K234-E253 IonicContact NZ-OE1 2.94Å; K234-E253 PolarHBondContact NZ-OE1 2.74Å; K234-E253 IonicContact NZ-OE2 2.63Å; K234-E253 PolarHBondContact NZ-OE2 2.93Å
235Y98.6Very high97.4Very high12 Ų1240.2 Ų40.25%0.04722%0.218CC..THydrogen-bonded Turntrans-93.110.3-178.3-67-75.4000114.3F178 Y181 L190 L231 K233 F237 L249 A252 E253F178-Y235 HydrophobicContact CE1-CD1 4.38Å; F178-Y235 HydrophobicContact CE1-CG 4.37Å; Y181-Y235 WeakPolarHBondContact CB-O 3.46Å; Y181-Y235 HydrophobicContact CD1-CD1 4.18Å; Y181-Y235 HydrophobicContact CD2-CD1 4.07Å; Y181-Y235 AromaticContact CE1-CD1 3.91Å; Y181-Y235 HydrophobicContact CE1-CD1 3.91Å; Y181-Y235 HydrophobicContact CE1-CE1 4.16Å; Y181-Y235 AromaticContact CE2-CD1 3.77Å; Y181-Y235 HydrophobicContact CE2-CD1 3.77Å; Y181-Y235 HydrophobicContact CE2-CE1 4.23Å; Y181-Y235 HydrophobicContact CG-CD1 4.25Å; Y181-Y235 AromaticContact CZ-CD1 3.69Å; Y181-Y235 AromaticContact CZ-CE1 3.81Å; L190-Y235 HydrophobicContact CD1-CD1 3.68Å; L190-Y235 HydrophobicContact CD1-CE1 3.55Å; L231-Y235 HydrophobicContact CD2-CE2 4.34Å; L231-Y235 WeakPolarHBondContact O-CD2 3.5Å; L231-Y235 PolarHBondContact O-N 3.08Å; K233-Y235 VanDerWaalsContact C-N 3.27Å; K233-Y235 PolarHBondContact O-N 2.92Å; Y235-F237 PolarHBondContact O-N 3.3Å; Y235-L249 HydrophobicContact CD2-CD1 3.67Å; Y235-L249 HydrophobicContact CG-CD1 4.06Å; Y235-A252 HydrophobicContact CD1-CB 4.32Å; Y235-A252 HydrophobicContact CE1-CB 3.98Å; Y235-A252 HydrophobicContact CE2-CB 4.31Å; Y235-A252 PolarHBondContact OH-O 3.09Å; Y235-E253 HydrophobicContact CE2-CB 4.23Å; Y235-E253 WeakPolarHBondContact CE2-OE2 3.25Å; Y235-E253 PolarHBondContact OH-OE2 2.86Å
236A98Very high97.5Very high43 Ų4337.8 Ų37.836%0.35520%0.203SC..THydrogen-bonded Turntrans46.335.4-174.500000113.3T180 A232 K233T180-A236 HydrophobicContact CG2-CB 3.86Å; A232-A236 CarbonylContact O-C 3.58Å; A232-A236 WeakPolarHBondContact O-CA 3.39Å; A232-A236 PolarHBondContact O-N 3.43Å; A232-A236 VanDerWaalsContact O-N 3.1Å; K233-A236 PolarHBondContact O-N 3.42Å; K233-A236 VanDerWaalsContact O-N 3.12Å
237F98.3Very high97.6Very high5 Ų534 Ų342%0.02218%0.177CC..  trans-88.5126.5-165.3-169.8-79.3000111.3F106 Y174 I177 F178 A232 Y235 D245 T248 L249F106-F237 HydrophobicContact CD1-CE1 4.15Å; F106-F237 HydrophobicContact CE1-CD1 4.37Å; F106-F237 HydrophobicContact CE1-CE1 4.15Å; Y174-F237 HydrophobicContact CD1-CE2 4.14Å; Y174-F237 HydrophobicContact CD1-CZ 4.32Å; Y174-F237 HydrophobicContact CE1-CE2 4.19Å; Y174-F237 AromaticContact CE1-CZ 3.93Å; Y174-F237 HydrophobicContact CE1-CZ 3.93Å; I177-F237 HydrophobicContact CG2-CD1 4.15Å; I177-F237 HydrophobicContact CG2-CD2 3.54Å; I177-F237 HydrophobicContact CG2-CE1 4Å; I177-F237 HydrophobicContact CG2-CE2 3.41Å; I177-F237 VanDerWaalsContact CG2-CE2 3.41Å; I177-F237 HydrophobicContact CG2-CG 3.93Å; I177-F237 HydrophobicContact CG2-CZ 3.66Å; F178-F237 HydrophobicContact CD1-CD2 4.02Å; F178-F237 AromaticContact CE1-CD2 3.48Å; F178-F237 HydrophobicContact CE1-CD2 3.48Å; F178-F237 VanDerWaalsContact CE1-CD2 3.48Å; F178-F237 HydrophobicContact CE1-CE2 4Å; F178-F237 HydrophobicContact CE2-CD2 4.31Å; F178-F237 HydrophobicContact CE2-CE2 4.02Å; F178-F237 AromaticContact CZ-CD2 3.64Å; F178-F237 HydrophobicContact CZ-CD2 3.64Å; F178-F237 AromaticContact CZ-CE2 3.64Å; F178-F237 HydrophobicContact CZ-CE2 3.64Å; A232-F237 PolarHBondContact O-N 2.91Å; Y235-F237 PolarHBondContact O-N 3.3Å; F237-D245 HydrophobicContact CE1-CB 3.86Å; F237-D245 HydrophobicContact CZ-CB 3.91Å; F237-D245 WeakPolarHBondContact CZ-O 3.31Å; F237-T248 HydrophobicContact CE2-CG2 4.38Å; F237-L249 HydrophobicContact CB-CD1 3.83Å; F237-L249 HydrophobicContact CB-CD2 4.46Å; F237-L249 HydrophobicContact CD1-CB 4.35Å; F237-L249 HydrophobicContact CD1-CD2 4.27Å; F237-L249 HydrophobicContact CD2-CB 4.25Å; F237-L249 HydrophobicContact CD2-CD1 4.03Å; F237-L249 HydrophobicContact CE1-CB 4.33Å; F237-L249 HydrophobicContact CE2-CB 4.2Å; F237-L249 HydrophobicContact CG-CB 4.31Å; F237-L249 HydrophobicContact CG-CD1 3.91Å; F237-L249 HydrophobicContact CG-CD2 4.37Å; F237-L249 HydrophobicContact CG-CG 4.42Å; F237-L249 HydrophobicContact CZ-CB 4.24Å
238K97Very high97.6Very high119 Ų11931.7 Ų31.752%0.51716%0.163SC..  trans-138.598.8172.7-176.163.2175.9-172.50110.8K104K104-K238 PolarHBondContact O-NZ 2.95Å
239G95.4Very high97.7Very high3 Ų331.6 Ų31.63%0.03116%0.162CC..  trans-88.9177179.200000115.1H105 D245H105-G239 WeakPolarHBondContact O-CA 3.04Å; H105-G239 PolarHBondContact O-N 2.8Å; G239-D245 WeakPolarHBondContact CA-OD2 3.43Å
240H94.4Very high97.7Very high81 Ų8130.2 Ų30.238%0.37516%0.155SC..  trans-154.99.2178.160.8-76000114.4F106 R108 D245F106-H240 CarbonylContact O-C 3.44Å; F106-H240 VanDerWaalsContact O-CA 3.31Å; F106-H240 WeakPolarHBondContact O-CA 3.28Å; F106-H240 PolarHBondContact O-N 3.43Å; R108-H240 HydrophobicContact CB-CB 4.16Å; H240-D245 PolarHBondContact N-OD2 2.87Å
241L94.9Very high97.7Very high28 Ų2827.9 Ų27.915%0.14714%0.136CC..SBendtrans-114.418-172.8-58.3-179.4000113.4F106 Y114 V173 Q244 D245F106-L241 PolarHBondContact O-N 3.3Å; Y114-L241 HydrophobicContact CD2-CD2 3.65Å; Y114-L241 HydrophobicContact CE2-CD2 3.68Å; Y114-L241 HydrophobicContact CG-CD2 4.49Å; V173-L241 HydrophobicContact CG1-CD1 3.81Å; L241-Q244 HydrophobicContact CB-CB 4.41Å; L241-D245 PolarHBondContact N-OD2 3.45Å
242G95.4Very high97.7Very high0 Ų027.9 Ų27.90%014%0.138CC..THydrogen-bonded Turntrans74.7-131.517000000114.1F106 F120 Q244 D245 F246F106-G242 PolarHBondContact O-N 3.39Å; F120-G242 VanDerWaalsContact CZ-CA 3.5Å; G242-Q244 VanDerWaalsContact C-N 3.3Å; G242-Q244 PolarHBondContact O-N 2.95Å; G242-D245 PolarHBondContact O-N 2.93Å; G242-F246 PolarHBondContact O-N 3.39Å
243D97.5Very high97.7Very high19 Ų1930.6 Ų30.610%0.10215%0.15CC..Hα-helixtrans-59.8-37.1-178.565.2-8.9000114Y119 S122 I123 S203 D245 F246 Y247Y119-D243 WeakPolarHBondContact O-CB 3.37Å; Y119-D243 PolarHBondContact O-N 2.95Å; S122-D243 WeakPolarHBondContact CB-OD2 3.21Å; S122-D243 VanDerWaalsContact OG-CB 3.26Å; S122-D243 WeakPolarHBondContact OG-CB 3.37Å; S122-D243 PolarHBondContact OG-OD2 2.79Å; I123-D243 HydrophobicContact CD1-CB 3.95Å; I123-D243 HydrophobicContact CG1-CB 3.98Å; S203-D243 WeakPolarHBondContact CB-OD1 3.2Å; S203-D243 PolarHBondContact OG-OD1 3.32Å; D243-D245 PolarHBondContact O-N 3.39Å; D243-F246 WeakPolarHBondContact O-CB 3.43Å; D243-F246 PolarHBondContact O-N 3.38Å; D243-Y247 HydrophobicContact CB-CD2 4.16Å; D243-Y247 HydrophobicContact CB-CE2 3.74Å; D243-Y247 WeakPolarHBondContact O-CD2 3.45Å; D243-Y247 PolarHBondContact O-N 3.01Å
244Q97.6Very high97.7Very high11 Ų1126 Ų265%0.05113%0.131CC..Hα-helixtrans-54.5-42178.6-164.5178.6-75.100112E169 Y174 F201 N202 S203 L241 G242 T248E169-Q244 PolarHBondContact OE2-NE2 3.2Å; Y174-Q244 WeakPolarHBondContact OH-CG 3.22Å; Y174-Q244 PolarHBondContact OH-NE2 3.25Å; Y174-Q244 VanDerWaalsContact OH-NE2 3.12Å; F201-Q244 WeakPolarHBondContact O-CG 3.28Å; F201-Q244 PolarHBondContact O-NE2 3.34Å; F201-Q244 VanDerWaalsContact O-NE2 3.09Å; N202-Q244 VanDerWaalsContact CA-CD 3.48Å; N202-Q244 PolarHBondContact ND2-OE1 2.86Å; S203-Q244 WeakPolarHBondContact OG-CB 3.46Å; L241-Q244 HydrophobicContact CB-CB 4.41Å; G242-Q244 VanDerWaalsContact C-N 3.3Å; G242-Q244 PolarHBondContact O-N 2.95Å; Q244-T248 VanDerWaalsContact O-CB 3.29Å; Q244-T248 WeakPolarHBondContact O-CB 3.44Å; Q244-T248 PolarHBondContact O-N 3.43Å; Q244-T248 PolarHBondContact O-OG1 3.32Å
245D98.5Very high97.7Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-71-39.8178.8-77-17.8000112F106 Y174 F237 G239 H240 L241 G242 D243 T248 L249F106-D245 HydrophobicContact CB-CB 4.42Å; F106-D245 HydrophobicContact CD1-CB 3.79Å; Y174-D245 WeakPolarHBondContact CE1-OD1 3.49Å; Y174-D245 VanDerWaalsContact CZ-OD1 3.26Å; Y174-D245 PolarHBondContact OH-OD1 3.24Å; F237-D245 HydrophobicContact CE1-CB 3.86Å; F237-D245 HydrophobicContact CZ-CB 3.91Å; F237-D245 WeakPolarHBondContact CZ-O 3.31Å; G239-D245 WeakPolarHBondContact CA-OD2 3.43Å; H240-D245 PolarHBondContact N-OD2 2.87Å; L241-D245 PolarHBondContact N-OD2 3.45Å; G242-D245 PolarHBondContact O-N 2.93Å; D243-D245 PolarHBondContact O-N 3.39Å; D245-T248 PolarHBondContact O-N 3.17Å; D245-L249 WeakPolarHBondContact O-CB 3.5Å; D245-L249 PolarHBondContact O-N 3.46Å
246F98.6Very high97.7Very high0 Ų027.1 Ų27.10%015%0.146CC..Hα-helixtrans-59.4-51.7173.4168.1-96.4000110.4F102 F106 I123 Y219 L222 L223 I228 G242 D243 T248 L249 I250F102-F246 HydrophobicContact CE1-CD2 4.09Å; F102-F246 HydrophobicContact CE1-CE2 4.46Å; F102-F246 HydrophobicContact CE2-CE2 4.22Å; F102-F246 AromaticContact CZ-CD2 3.55Å; F102-F246 HydrophobicContact CZ-CD2 3.55Å; F102-F246 AromaticContact CZ-CE2 3.51Å; F102-F246 HydrophobicContact CZ-CE2 3.51Å; F102-F246 HydrophobicContact CZ-CG 4.37Å; F102-F246 HydrophobicContact CZ-CZ 4.31Å; F106-F246 HydrophobicContact CD1-CB 4.32Å; F106-F246 HydrophobicContact CD2-CB 4.33Å; F106-F246 HydrophobicContact CE1-CB 4.19Å; F106-F246 HydrophobicContact CE2-CB 4.2Å; F106-F246 AromaticContact CE2-CD2 3.92Å; F106-F246 HydrophobicContact CE2-CD2 3.92Å; F106-F246 HydrophobicContact CG-CB 4.38Å; F106-F246 HydrophobicContact CZ-CB 4.11Å; F106-F246 AromaticContact CZ-CD2 3.89Å; F106-F246 HydrophobicContact CZ-CD2 3.89Å; I123-F246 HydrophobicContact CB-CD1 4.49Å; I123-F246 HydrophobicContact CB-CE1 4.5Å; I123-F246 HydrophobicContact CD1-CB 3.81Å; I123-F246 HydrophobicContact CD1-CD1 3.72Å; I123-F246 HydrophobicContact CD1-CE1 4.46Å; I123-F246 HydrophobicContact CD1-CG 3.77Å; I123-F246 HydrophobicContact CG1-CD1 3.61Å; I123-F246 HydrophobicContact CG1-CE1 4.07Å; I123-F246 HydrophobicContact CG1-CG 4.21Å; I123-F246 HydrophobicContact CG2-CD1 4.11Å; I123-F246 HydrophobicContact CG2-CE1 3.76Å; I123-F246 HydrophobicContact CG2-CZ 4.07Å; Y219-F246 AromaticContact CE2-CE1 3.91Å; Y219-F246 HydrophobicContact CE2-CE1 3.91Å; Y219-F246 HydrophobicContact CE2-CZ 4.13Å; L222-F246 HydrophobicContact CB-CZ 4.44Å; L223-F246 HydrophobicContact CD2-CZ 4.09Å; I228-F246 HydrophobicContact CD1-CD2 3.8Å; I228-F246 HydrophobicContact CD1-CE2 3.66Å; I228-F246 HydrophobicContact CG1-CD2 4.09Å; I228-F246 HydrophobicContact CG1-CE2 4.1Å; G242-F246 PolarHBondContact O-N 3.39Å; D243-F246 WeakPolarHBondContact O-CB 3.43Å; D243-F246 PolarHBondContact O-N 3.38Å; F246-T248 VanDerWaalsContact C-N 3.34Å; F246-T248 PolarHBondContact O-N 3.15Å; F246-L249 PolarHBondContact O-N 3.31Å; F246-I250 HydrophobicContact CD1-CD1 4.41Å; F246-I250 HydrophobicContact CD2-CG2 4.21Å; F246-I250 HydrophobicContact CE1-CD1 3.68Å; F246-I250 HydrophobicContact CE1-CG1 4.28Å; F246-I250 HydrophobicContact CE2-CG2 3.77Å; F246-I250 HydrophobicContact CZ-CD1 3.85Å; F246-I250 HydrophobicContact CZ-CG1 4.45Å; F246-I250 HydrophobicContact CZ-CG2 3.96Å; F246-I250 WeakPolarHBondContact O-CG1 3.49Å; F246-I250 PolarHBondContact O-N 2.88Å
247Y98.8Very high97.7Very high0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-61.3-42179.4-66.1-52.9000112.2S122 I123 I164 L166 L206 D243 I250 A251 F258S122-Y247 WeakPolarHBondContact CB-OH 3.49Å; S122-Y247 PolarHBondContact O-OH 3.44Å; S122-Y247 PolarHBondContact OG-OH 3.31Å; I123-Y247 WeakPolarHBondContact CA-OH 3.32Å; I123-Y247 HydrophobicContact CG1-CE1 4.43Å; I123-Y247 HydrophobicContact CG1-CE2 4.37Å; I123-Y247 PolarHBondContact N-OH 2.9Å; I164-Y247 HydrophobicContact CD1-CE1 4.29Å; I164-Y247 HydrophobicContact CG1-CD1 4.35Å; I164-Y247 HydrophobicContact CG1-CE1 3.78Å; L166-Y247 HydrophobicContact CD1-CD2 4.04Å; L166-Y247 HydrophobicContact CD1-CG 4.02Å; L206-Y247 HydrophobicContact CD1-CD2 3.98Å; L206-Y247 HydrophobicContact CD1-CE2 3.33Å; D243-Y247 HydrophobicContact CB-CD2 4.16Å; D243-Y247 HydrophobicContact CB-CE2 3.74Å; D243-Y247 WeakPolarHBondContact O-CD2 3.45Å; D243-Y247 PolarHBondContact O-N 3.01Å; Y247-I250 HydrophobicContact CD1-CD1 4.44Å; Y247-I250 PolarHBondContact O-N 3.02Å; Y247-A251 WeakPolarHBondContact O-CB 3.28Å; Y247-A251 PolarHBondContact O-N 3.36Å; Y247-F258 AromaticContact CD1-CE1 3.7Å; Y247-F258 HydrophobicContact CD1-CE1 3.7Å; Y247-F258 AromaticContact CD1-CZ 3.89Å; Y247-F258 HydrophobicContact CD1-CZ 3.89Å; Y247-F258 HydrophobicContact CG-CE1 4.06Å; Y247-F258 HydrophobicContact CG-CZ 4.41Å; Y247-F258 WeakPolarHBondContact O-CZ 3.48Å
248T98.9Very high97.7Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-63.4-42.5176.7-64.20000112.1Y174 F178 F198 F201 F237 Q244 D245 F246 A252Y174-T248 HydrophobicContact CD1-CG2 3.52Å; Y174-T248 HydrophobicContact CD2-CG2 4.15Å; Y174-T248 HydrophobicContact CE1-CG2 3.57Å; Y174-T248 HydrophobicContact CE2-CG2 4.14Å; Y174-T248 HydrophobicContact CG-CG2 3.83Å; F178-T248 HydrophobicContact CE2-CG2 3.76Å; F178-T248 HydrophobicContact CZ-CG2 4.13Å; F198-T248 HydrophobicContact CE1-CG2 3.93Å; F198-T248 HydrophobicContact CZ-CG2 4.27Å; F201-T248 PolarHBondContact N-OG1 2.93Å; F237-T248 HydrophobicContact CE2-CG2 4.38Å; Q244-T248 VanDerWaalsContact O-CB 3.29Å; Q244-T248 WeakPolarHBondContact O-CB 3.44Å; Q244-T248 PolarHBondContact O-N 3.43Å; Q244-T248 PolarHBondContact O-OG1 3.32Å; D245-T248 PolarHBondContact O-N 3.17Å; F246-T248 VanDerWaalsContact C-N 3.34Å; F246-T248 PolarHBondContact O-N 3.15Å; T248-A252 PolarHBondContact O-N 3.4Å
249L98.8Very high97.8Very high0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-64.4-48.8176.8174.860.8000111.4F106 I228 L231 A232 Y235 F237 D245 F246 A251 A252F106-L249 HydrophobicContact CE1-CB 4.3Å; F106-L249 HydrophobicContact CE1-CD2 3.73Å; F106-L249 HydrophobicContact CZ-CD2 3.83Å; I228-L249 HydrophobicContact CD1-CD2 3.97Å; L231-L249 HydrophobicContact CB-CD2 4.34Å; L231-L249 HydrophobicContact CB-CG 4.42Å; A232-L249 HydrophobicContact CB-CD2 3.89Å; Y235-L249 HydrophobicContact CD2-CD1 3.67Å; Y235-L249 HydrophobicContact CG-CD1 4.06Å; F237-L249 HydrophobicContact CB-CD1 3.83Å; F237-L249 HydrophobicContact CB-CD2 4.46Å; F237-L249 HydrophobicContact CD1-CB 4.35Å; F237-L249 HydrophobicContact CD1-CD2 4.27Å; F237-L249 HydrophobicContact CD2-CB 4.25Å; F237-L249 HydrophobicContact CD2-CD1 4.03Å; F237-L249 HydrophobicContact CE1-CB 4.33Å; F237-L249 HydrophobicContact CE2-CB 4.2Å; F237-L249 HydrophobicContact CG-CB 4.31Å; F237-L249 HydrophobicContact CG-CD1 3.91Å; F237-L249 HydrophobicContact CG-CD2 4.37Å; F237-L249 HydrophobicContact CG-CG 4.42Å; F237-L249 HydrophobicContact CZ-CB 4.24Å; D245-L249 WeakPolarHBondContact O-CB 3.5Å; D245-L249 PolarHBondContact O-N 3.46Å; F246-L249 PolarHBondContact O-N 3.31Å; L249-A251 VanDerWaalsContact C-N 3.29Å; L249-A251 PolarHBondContact O-N 2.95Å; L249-A252 VanDerWaalsContact O-CB 3.28Å; L249-A252 WeakPolarHBondContact O-CB 3.24Å; L249-A252 PolarHBondContact O-N 3.27Å; L249-A252 VanDerWaalsContact O-N 3.16Å
250I98.6Very high98Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-70.8-27.9-177.565.2159.9000112.1Y219 L222 I228 L231 F246 Y247 A252 E253 H254 F258Y219-I250 HydrophobicContact CD2-CD1 4.2Å; Y219-I250 HydrophobicContact CE2-CD1 3.99Å; L222-I250 HydrophobicContact CB-CG2 4.43Å; L222-I250 HydrophobicContact CD1-CB 4.06Å; L222-I250 HydrophobicContact CD1-CD1 3.9Å; L222-I250 HydrophobicContact CD1-CG2 4.11Å; L222-I250 HydrophobicContact CD2-CG2 4.33Å; I228-I250 HydrophobicContact CD1-CG2 3.67Å; L231-I250 HydrophobicContact CD1-CG2 4.33Å; F246-I250 HydrophobicContact CD1-CD1 4.41Å; F246-I250 HydrophobicContact CD2-CG2 4.21Å; F246-I250 HydrophobicContact CE1-CD1 3.68Å; F246-I250 HydrophobicContact CE1-CG1 4.28Å; F246-I250 HydrophobicContact CE2-CG2 3.77Å; F246-I250 HydrophobicContact CZ-CD1 3.85Å; F246-I250 HydrophobicContact CZ-CG1 4.45Å; F246-I250 HydrophobicContact CZ-CG2 3.96Å; F246-I250 WeakPolarHBondContact O-CG1 3.49Å; F246-I250 PolarHBondContact O-N 2.88Å; Y247-I250 HydrophobicContact CD1-CD1 4.44Å; Y247-I250 PolarHBondContact O-N 3.02Å; I250-A252 PolarHBondContact O-N 3.05Å; I250-E253 PolarHBondContact O-N 3.29Å; I250-E253 VanDerWaalsContact O-N 3.14Å; I250-H254 PolarHBondContact O-N 3.35Å; I250-F258 HydrophobicContact CD1-CE2 3.91Å; I250-F258 HydrophobicContact CD1-CZ 3.55Å; I250-F258 HydrophobicContact CG1-CE2 3.74Å; I250-F258 HydrophobicContact CG1-CZ 3.52Å
251A98.7Very high98.2Very high7 Ų723.9 Ų23.96%0.05812%0.117CC..Hα-helixtrans-66.7-25.6172.700000113.1F198 F201 Y247 L249 E253 P255 F258F198-A251 HydrophobicContact CE1-CB 4.11Å; F198-A251 HydrophobicContact CE2-CB 4.49Å; F198-A251 HydrophobicContact CZ-CB 3.67Å; F201-A251 HydrophobicContact CD2-CB 4.07Å; F201-A251 HydrophobicContact CE2-CB 3.5Å; F201-A251 VanDerWaalsContact CE2-CB 3.5Å; F201-A251 HydrophobicContact CZ-CB 4.48Å; Y247-A251 WeakPolarHBondContact O-CB 3.28Å; Y247-A251 PolarHBondContact O-N 3.36Å; L249-A251 VanDerWaalsContact C-N 3.29Å; L249-A251 PolarHBondContact O-N 2.95Å; A251-E253 PolarHBondContact O-N 3.16Å; A251-P255 WeakPolarHBondContact O-CD 3.39Å; A251-F258 HydrophobicContact CB-CD2 3.66Å; A251-F258 HydrophobicContact CB-CE2 3.62Å; A251-F258 HydrophobicContact CB-CG 4.34Å; A251-F258 HydrophobicContact CB-CZ 4.27Å
252A98.3Very high98.3Very high17 Ų1724.3 Ų24.314%0.1412%0.122CC..Hα-helixtrans-67.4-23.7172.900000113F178 L190 Y235 T248 L249 I250F178-A252 HydrophobicContact CE1-CB 4.39Å; F178-A252 HydrophobicContact CZ-CB 4.14Å; L190-A252 HydrophobicContact CD1-CB 3.73Å; L190-A252 HydrophobicContact CD2-CB 3.68Å; L190-A252 HydrophobicContact CG-CB 4.37Å; Y235-A252 HydrophobicContact CD1-CB 4.32Å; Y235-A252 HydrophobicContact CE1-CB 3.98Å; Y235-A252 HydrophobicContact CE2-CB 4.31Å; Y235-A252 PolarHBondContact OH-O 3.09Å; T248-A252 PolarHBondContact O-N 3.4Å; L249-A252 VanDerWaalsContact O-CB 3.28Å; L249-A252 WeakPolarHBondContact O-CB 3.24Å; L249-A252 PolarHBondContact O-N 3.27Å; L249-A252 VanDerWaalsContact O-N 3.16Å; I250-A252 PolarHBondContact O-N 3.05Å
253E98.1Very high98.5Very high59 Ų5926.1 Ų26.128%0.27613%0.134SC..Hα-helixtrans-101.7-40.5177-170.175.9-148.900112.4L231 K234 Y235 I250 A251L231-E253 HydrophobicContact CD2-CB 4.06Å; L231-E253 HydrophobicContact CD2-CG 3.76Å; L231-E253 WeakPolarHBondContact CD2-OE2 3.37Å; K234-E253 WeakPolarHBondContact CE-OE2 3.45Å; K234-E253 IonicContact NZ-OE1 2.94Å; K234-E253 PolarHBondContact NZ-OE1 2.74Å; K234-E253 IonicContact NZ-OE2 2.63Å; K234-E253 PolarHBondContact NZ-OE2 2.93Å; Y235-E253 HydrophobicContact CE2-CB 4.23Å; Y235-E253 WeakPolarHBondContact CE2-OE2 3.25Å; Y235-E253 PolarHBondContact OH-OE2 2.86Å; I250-E253 PolarHBondContact O-N 3.29Å; I250-E253 VanDerWaalsContact O-N 3.14Å; A251-E253 PolarHBondContact O-N 3.16Å
254H98.6Very high98.5Very high38 Ų3825.2 Ų25.218%0.17613%0.129CC..  trans-131.464.9-169.6-60.1-48.3000111Q218 I250 Q256 L257Q218-H254 PolarHBondContact NE2-CE1 3.26Å; Q218-H254 PolarHBondContact NE2-ND1 3.14Å; I250-H254 PolarHBondContact O-N 3.35Å; H254-Q256 VanDerWaalsContact CA-OE1 3.26Å; H254-Q256 PolarHBondContact O-N 3.01Å; H254-L257 HydrophobicContact CB-CD1 3.78Å; H254-L257 HydrophobicContact CB-CG 4.03Å; H254-L257 WeakPolarHBondContact O-CB 3.3Å; H254-L257 PolarHBondContact O-N 3.06Å
255P98.1Very high98.6Very high83 Ų8324.9 Ų24.954%0.53913%0.128SC..G310 helixtrans-61.7-26.5-177.625.9-34.9000113A251 L257 F258A251-P255 WeakPolarHBondContact O-CD 3.39Å; P255-L257 PolarHBondContact O-N 3.33Å; P255-L257 VanDerWaalsContact O-N 3.16Å; P255-F258 PolarHBondContact O-N 2.67Å
256Q98.4Very high98.6Very high57 Ų5724.9 Ų24.927%0.26613%0.128SC..G310 helixtrans-64-15.9178.175.9-71.5-7.300114.1H162 H254 F258H162-Q256 PolarHBondContact CD2-O 2.88Å; H254-Q256 VanDerWaalsContact CA-OE1 3.26Å; H254-Q256 PolarHBondContact O-N 3.01Å; Q256-F258 PolarHBondContact O-N 3.44Å
257L98.8Very high98.5Very high1 Ų125.7 Ų25.71%0.00513%0.132CC..G310 helixtrans-73.4-11173.5-67.9-179000112.7I163 I164 L222 H254 P255I163-L257 HydrophobicContact CD1-CB 4.18Å; I163-L257 HydrophobicContact CD1-CD1 4.36Å; I163-L257 HydrophobicContact CD1-CD2 4.48Å; I163-L257 HydrophobicContact CG1-CB 3.94Å; I163-L257 HydrophobicContact CG1-CD2 4.43Å; I163-L257 WeakPolarHBondContact CG1-O 3.28Å; I163-L257 PolarHBondContact N-O 3.32Å; I164-L257 PolarHBondContact N-O 3.17Å; L222-L257 HydrophobicContact CD1-CD1 3.76Å; H254-L257 HydrophobicContact CB-CD1 3.78Å; H254-L257 HydrophobicContact CB-CG 4.03Å; H254-L257 WeakPolarHBondContact O-CB 3.3Å; H254-L257 PolarHBondContact O-N 3.06Å; P255-L257 PolarHBondContact O-N 3.33Å; P255-L257 VanDerWaalsContact O-N 3.16Å
258F98.9Very high98.5Very high13 Ų1325.8 Ų25.86%0.05713%0.133CC..EExtended strand (participates in β ladder)trans-121.9129.4-168.6-64.6-86.3000113.2H162 I164 L166 F201 Y247 I250 A251 P255 Q256H162-F258 VanDerWaalsContact CD2-C 3.4Å; H162-F258 PolarHBondContact CD2-O 3.32Å; I164-F258 HydrophobicContact CB-CD1 3.87Å; I164-F258 HydrophobicContact CB-CE1 3.87Å; I164-F258 HydrophobicContact CG1-CE1 4.5Å; I164-F258 HydrophobicContact CG2-CD1 3.95Å; I164-F258 HydrophobicContact CG2-CE1 3.94Å; I164-F258 VanDerWaalsContact O-CA 3.31Å; I164-F258 WeakPolarHBondContact O-CA 3.44Å; L166-F258 HydrophobicContact CD1-CD1 4.33Å; L166-F258 HydrophobicContact CD1-CE1 4.24Å; F201-F258 HydrophobicContact CD2-CD1 4.22Å; F201-F258 HydrophobicContact CD2-CE1 4.44Å; F201-F258 HydrophobicContact CE2-CB 3.86Å; F201-F258 AromaticContact CE2-CD1 3.64Å; F201-F258 HydrophobicContact CE2-CD1 3.64Å; F201-F258 HydrophobicContact CE2-CD2 4.17Å; F201-F258 HydrophobicContact CE2-CE1 4.2Å; F201-F258 AromaticContact CE2-CG 3.61Å; F201-F258 HydrophobicContact CE2-CG 3.61Å; F201-F258 HydrophobicContact CZ-CB 3.73Å; F201-F258 HydrophobicContact CZ-CD1 4.23Å; F201-F258 HydrophobicContact CZ-CG 4.03Å; Y247-F258 AromaticContact CD1-CE1 3.7Å; Y247-F258 HydrophobicContact CD1-CE1 3.7Å; Y247-F258 AromaticContact CD1-CZ 3.89Å; Y247-F258 HydrophobicContact CD1-CZ 3.89Å; Y247-F258 HydrophobicContact CG-CE1 4.06Å; Y247-F258 HydrophobicContact CG-CZ 4.41Å; Y247-F258 WeakPolarHBondContact O-CZ 3.48Å; I250-F258 HydrophobicContact CD1-CE2 3.91Å; I250-F258 HydrophobicContact CD1-CZ 3.55Å; I250-F258 HydrophobicContact CG1-CE2 3.74Å; I250-F258 HydrophobicContact CG1-CZ 3.52Å; A251-F258 HydrophobicContact CB-CD2 3.66Å; A251-F258 HydrophobicContact CB-CE2 3.62Å; A251-F258 HydrophobicContact CB-CG 4.34Å; A251-F258 HydrophobicContact CB-CZ 4.27Å; P255-F258 PolarHBondContact O-N 2.67Å; Q256-F258 PolarHBondContact O-N 3.44Å
259Y98.8Very high98.4Very high33 Ų3326.8 Ų26.813%0.12914%0.138CC..EExtended strand (participates in β ladder)trans-89124.3164.7178.6-85000109.6L154 Q157 F158 I164 G165 L166 L261L154-Y259 HydrophobicContact CB-CE1 4.47Å; Q157-Y259 HydrophobicContact CB-CE2 3.74Å; Q157-Y259 PolarHBondContact OE1-OH 2.91Å; F158-Y259 HydrophobicContact CD1-CD1 4.27Å; F158-Y259 AromaticContact CD1-CD2 3.97Å; F158-Y259 HydrophobicContact CD1-CD2 3.97Å; F158-Y259 AromaticContact CD1-CG 3.72Å; F158-Y259 HydrophobicContact CD1-CG 3.72Å; F158-Y259 VanDerWaalsContact CE1-CB 3.46Å; F158-Y259 AromaticContact CE1-CD1 3.6Å; F158-Y259 HydrophobicContact CE1-CD1 3.6Å; F158-Y259 HydrophobicContact CE1-CD2 4.14Å; F158-Y259 HydrophobicContact CE1-CE1 4.41Å; F158-Y259 AromaticContact CE1-CG 3.45Å; F158-Y259 HydrophobicContact CE1-CG 3.45Å; F158-Y259 VanDerWaalsContact CE1-CG 3.45Å; F158-Y259 HydrophobicContact CZ-CD1 4.38Å; F158-Y259 HydrophobicContact CZ-CG 4.29Å; I164-Y259 PolarHBondContact O-N 3.45Å; G165-Y259 WeakPolarHBondContact CA-O 3.28Å; L166-Y259 PolarHBondContact N-O 2.94Å; L166-Y259 VanDerWaalsContact N-O 3.08Å; Y259-L261 HydrophobicContact CD1-CD2 3.86Å; Y259-L261 HydrophobicContact CE1-CD2 3.89Å; Y259-L261 PolarHBondContact O-N 3.17Å
260R98.3Very high98.3Very high132 Ų13226.9 Ų26.950%0.49814%0.139SC..EExtended strand (participates in β ladder)trans-82.1111.1178.1-179.8178169.4177.7-1.6110.4L168L168-R260 HydrophobicContact CG-CG 4.43Å
261L98.7Very high98.2Very high3 Ų332.8 Ų32.82%0.01616%0.164CC..  trans-66.5146.9175-58176.8000111.2L151 L154 L166 A167 V205 L207 Y259 C263L151-L261 HydrophobicContact CD1-CD1 4.46Å; L151-L261 HydrophobicContact CD1-CD2 4.49Å; L154-L261 HydrophobicContact CD1-CD2 3.69Å; L166-L261 PolarHBondContact O-N 2.9Å; A167-L261 HydrophobicContact CB-CB 4.17Å; V205-L261 HydrophobicContact CG1-CD1 4.34Å; L207-L261 HydrophobicContact CD1-CD1 4.07Å; L207-L261 HydrophobicContact CD1-CD2 4.3Å; L207-L261 HydrophobicContact CD2-CD2 4.13Å; Y259-L261 HydrophobicContact CD1-CD2 3.86Å; Y259-L261 HydrophobicContact CE1-CD2 3.89Å; Y259-L261 PolarHBondContact O-N 3.17Å; L261-C263 PolarHBondContact O-N 3.49Å
262P98.3Very high98Very high38 Ų3839.4 Ų39.425%0.24719%0.188CC..  trans-54.6137.7165.4-23.631.2000111.7A264 W265 M290P262-A264 PolarHBondContact O-N 3.02Å; P262-W265 PolarHBondContact O-N 3.42Å; P262-W265 VanDerWaalsContact O-N 3.08Å; P262-M290 HydrophobicContact CB-CE 3.83Å; P262-M290 HydrophobicContact CB-SD 3.78Å
263C98.2Very high97.7Very high38 Ų3840.1 Ų40.126%0.25719%0.187SC..G310 helixtrans-57.9-27.1-174.561.30000113.8L261 W265 N266 V267 C288L261-C263 PolarHBondContact O-N 3.49Å; C263-W265 PolarHBondContact O-N 3.2Å; C263-W265 VanDerWaalsContact O-N 3.13Å; C263-N266 CarbonylContact O-C 3.48Å; C263-N266 PolarHBondContact O-N 2.91Å; C263-V267 WeakPolarHBondContact O-CG2 3.32Å; C263-C288 HydrophobicContact CB-CB 3.79Å; C263-C288 WeakPolarHBondContact CB-SG 3.33Å; C263-C288 WeakPolarHBondContact SG-CA 3.23Å; C263-C288 WeakPolarHBondContact SG-CB 3.32Å; C263-C288 CovalentContact SG-SG 2.04Å; C263-C288 PolarHBondContact SG-SG 2.85Å
264A98.4Very high97.6Very high0 Ų039.8 Ų39.80%019%0.187CC..G310 helixtrans-58.4-23.1177.700000114.5P262 N266 C288 M290 D291 K293 V294P262-A264 PolarHBondContact O-N 3.02Å; A264-N266 VanDerWaalsContact C-N 3.33Å; A264-C288 PolarHBondContact N-SG 3.37Å; A264-C288 VanDerWaalsContact N-SG 3.38Å; A264-M290 HydrophobicContact CB-CB 3.82Å; A264-M290 HydrophobicContact CB-SD 4.37Å; A264-D291 WeakPolarHBondContact CB-O 3.41Å; A264-K293 HydrophobicContact CB-CB 4.42Å; A264-K293 HydrophobicContact CB-CG 4.09Å; A264-K293 WeakPolarHBondContact O-CA 3.17Å; A264-K293 WeakPolarHBondContact O-CB 3.46Å; A264-K293 PolarHBondContact O-N 2.94Å; A264-V294 PolarHBondContact O-N 3.46Å
265W98.7Very high97.3Very high4 Ų449 Ų492%0.01522%0.22CC..G310 helixtrans-83.4-3.6-178.7-72.8116.2000114.3A146 Q150 L151 V205 P262 C263 K293 V294A146-W265 HydrophobicContact CB-CH2 4.16Å; A146-W265 HydrophobicContact CB-CZ3 4.31Å; Q150-W265 HydrophobicContact CB-CH2 3.8Å; Q150-W265 HydrophobicContact CB-CZ2 3.68Å; L151-W265 HydrophobicContact CB-CD2 4.22Å; L151-W265 HydrophobicContact CB-CE3 3.91Å; L151-W265 HydrophobicContact CB-CH2 3.68Å; L151-W265 HydrophobicContact CB-CZ2 3.93Å; L151-W265 HydrophobicContact CB-CZ3 3.67Å; L151-W265 HydrophobicContact CD1-CB 4.29Å; L151-W265 HydrophobicContact CD1-CD2 3.76Å; L151-W265 HydrophobicContact CD1-CE3 4.01Å; L151-W265 HydrophobicContact CD1-CG 3.9Å; L151-W265 HydrophobicContact CD2-CE3 4.16Å; L151-W265 HydrophobicContact CD2-CZ3 4.45Å; L151-W265 HydrophobicContact CG-CD2 4.44Å; L151-W265 HydrophobicContact CG-CE3 4.24Å; L151-W265 HydrophobicContact CG-CZ3 4.46Å; V205-W265 VanDerWaalsContact CG2-O 3.32Å; V205-W265 WeakPolarHBondContact CG2-O 3.45Å; P262-W265 PolarHBondContact O-N 3.42Å; P262-W265 VanDerWaalsContact O-N 3.08Å; C263-W265 PolarHBondContact O-N 3.2Å; C263-W265 VanDerWaalsContact O-N 3.13Å; W265-K293 HydrophobicContact CD2-CB 3.92Å; W265-K293 HydrophobicContact CD2-CD 3.77Å; W265-K293 HydrophobicContact CD2-CG 4.47Å; W265-K293 HydrophobicContact CE3-CB 3.6Å; W265-K293 HydrophobicContact CE3-CD 4.08Å; W265-K293 HydrophobicContact CH2-CB 4.17Å; W265-K293 HydrophobicContact CH2-CD 3.57Å; W265-K293 HydrophobicContact CH2-CG 4.47Å; W265-K293 HydrophobicContact CZ2-CD 3.26Å; W265-K293 HydrophobicContact CZ2-CG 4.49Å; W265-K293 HydrophobicContact CZ3-CB 3.71Å; W265-K293 HydrophobicContact CZ3-CD 3.97Å; W265-K293 HydrophobicContact CZ3-CG 4.47Å; W265-V294 HydrophobicContact CE3-CG2 3.8Å; W265-V294 HydrophobicContact CZ3-CG2 4.21Å; W265-V294 WeakPolarHBondContact O-CB 3.19Å
266N98.6Very high97Very high0 Ų048.6 Ų48.60%022%0.216CC..SBendtrans-15766.3175.9-168.1-5.7000109.8A167 N202 V205 C263 A264 Q268 H296A167-N266 HydrophobicContact CB-CB 3.65Å; N202-N266 PolarHBondContact O-ND2 3.43Å; N202-N266 PolarHBondContact OD1-ND2 3.43Å; V205-N266 HydrophobicContact CB-CB 4.26Å; V205-N266 HydrophobicContact CG2-CB 4.26Å; V205-N266 PolarHBondContact N-ND2 3.34Å; C263-N266 CarbonylContact O-C 3.48Å; C263-N266 PolarHBondContact O-N 2.91Å; A264-N266 VanDerWaalsContact C-N 3.33Å; N266-Q268 PolarHBondContact O-N 2.72Å; N266-H296 VanDerWaalsContact OD1-CB 3.28Å; N266-H296 WeakPolarHBondContact OD1-CB 3.48Å; N266-H296 PolarHBondContact OD1-ND1 2.85Å
267V98.5Very high96.7Very high17 Ų1748.9 Ų48.910%0.10322%0.215CC..EExtended strand (participates in β ladder)trans-83107.8-177.5178.30000109.9C263 V292 V294 Y295 H296C263-V267 WeakPolarHBondContact O-CG2 3.32Å; V267-V292 HydrophobicContact CB-CG1 3.85Å; V267-V292 HydrophobicContact CB-CG2 4.46Å; V267-V292 HydrophobicContact CG1-CG1 4.45Å; V267-V292 HydrophobicContact CG1-CG2 4.32Å; V267-V292 HydrophobicContact CG2-CB 4.33Å; V267-V292 HydrophobicContact CG2-CG1 3.71Å; V267-V292 HydrophobicContact CG2-CG2 4.05Å; V267-V294 PolarHBondContact N-O 3.39Å; V267-Y295 HydrophobicContact CB-CD1 4.42Å; V267-Y295 HydrophobicContact CG1-CD1 4.32Å; V267-Y295 HydrophobicContact CG1-CE1 4.45Å; V267-H296 PolarHBondContact O-N 2.94Å
268Q98.3Very high96.6Very high2 Ų250.3 Ų50.31%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-86.1129.7-170-56.7-176.733.800112.5E169 Q170 N202 N266 H296 N298E169-Q268 PolarHBondContact OE1-NE2 2.57Å; E169-Q268 PolarHBondContact OE1-OE1 2.86Å; Q170-Q268 HydrophobicContact CB-CB 4.12Å; Q170-Q268 HydrophobicContact CB-CG 4.17Å; N202-Q268 VanDerWaalsContact CG-NE2 3.34Å; N202-Q268 PolarHBondContact ND2-NE2 2.86Å; N266-Q268 PolarHBondContact O-N 2.72Å; Q268-H296 HydrophobicContact CG-CB 4.47Å; Q268-N298 PolarHBondContact OE1-ND2 2.82Å
269L97.1Very high96.4Very high21 Ų2151.8 Ų51.811%0.1125%0.245CC..  trans-92.5-20.6-173.1-64179.6000113.2K271 R286 Y295 H296 N298 P302 I303L269-K271 PolarHBondContact O-N 3.45Å; L269-R286 PolarHBondContact O-NH1 3.1Å; L269-R286 VanDerWaalsContact O-NH1 3.14Å; L269-Y295 HydrophobicContact CD1-CD1 4.26Å; L269-Y295 HydrophobicContact CD1-CG 4.45Å; L269-Y295 HydrophobicContact CD2-CD1 3.85Å; L269-Y295 HydrophobicContact CD2-CE1 4.27Å; L269-Y295 HydrophobicContact CG-CD1 4.3Å; L269-H296 WeakPolarHBondContact CB-O 3.35Å; L269-H296 PolarHBondContact N-O 3.31Å; L269-N298 PolarHBondContact N-OD1 3.45Å; L269-P302 WeakPolarHBondContact CD1-O 3.29Å; L269-I303 HydrophobicContact CD1-CB 4.22Å; L269-I303 HydrophobicContact CD1-CG1 3.98Å; L269-I303 HydrophobicContact CD1-CG2 4.35Å
270C96.6Very high96.2Very high1 Ų156.8 Ų56.81%0.00727%0.274CS..  trans-55128.1-177.5-178.70000113.4Q171 R286 N298 C299 S301Q171-C270 PolarHBondContact NE2-O 3.4Å; Q171-C270 PolarHBondContact NE2-SG 3.19Å; C270-R286 PolarHBondContact O-NH1 2.88Å; C270-N298 HydrophobicContact CB-CB 4.45Å; C270-N298 WeakPolarHBondContact CB-O 3.31Å; C270-N298 WeakPolarHBondContact CB-OD1 3.38Å; C270-N298 PolarHBondContact N-OD1 2.89Å; C270-C299 HydrophobicContact CB-CB 3.52Å; C270-C299 WeakPolarHBondContact CB-SG 3.28Å; C270-C299 WeakPolarHBondContact SG-CB 3.28Å; C270-C299 CovalentContact SG-SG 2.02Å; C270-C299 PolarHBondContact SG-SG 2.98Å; C270-S301 VanDerWaalsContact CA-OG 3.29Å; C270-S301 WeakPolarHBondContact CA-OG 3.13Å; C270-S301 PolarHBondContact N-OG 3.39Å
271K95.2Very high96Very high125 Ų12553.4 Ų53.454%0.54327%0.265SS..  trans-111.415.3177.7-66-176.4179-176.60113.1L269 W273 L274 F282L269-K271 PolarHBondContact O-N 3.45Å; K271-W273 PolarHBondContact O-N 3.32Å; K271-L274 HydrophobicContact CB-CB 4.4Å; K271-L274 HydrophobicContact CD-CD2 4.48Å; K271-L274 WeakPolarHBondContact O-CB 3.46Å; K271-L274 PolarHBondContact O-N 2.65Å; K271-F282 HydrophobicContact CG-CZ 4.44Å
272W94.1Very high95.9Very high145 Ų14553.4 Ų53.455%0.54927%0.265SS..THydrogen-bonded Turntrans-59.1-47.6-178.2-174.688.6000111.5L274 R275 V276W272-L274 VanDerWaalsContact C-N 3.28Å; W272-L274 PolarHBondContact O-N 3.37Å; W272-R275 PolarHBondContact O-N 3.41Å; W272-V276 HydrophobicContact CD2-CG2 4.49Å; W272-V276 HydrophobicContact CE3-CG2 4.07Å; W272-V276 HydrophobicContact CH2-CG2 3.84Å; W272-V276 HydrophobicContact CZ2-CG2 4.27Å; W272-V276 HydrophobicContact CZ3-CG2 3.73Å
273W93.8Very high95.7Very high32 Ų3255.7 Ų55.712%0.12128%0.275CS..THydrogen-bonded Turntrans-67.9-21.2179.2-72.7104.3000115Q171 P172 V173 N176 K271 R275 V276 Y277 F282Q171-W273 HydrophobicContact CB-CG 4.41Å; P172-W273 HydrophobicContact CG-CB 3.73Å; P172-W273 HydrophobicContact CG-CD2 4.25Å; P172-W273 HydrophobicContact CG-CE3 4.39Å; P172-W273 HydrophobicContact CG-CG 4.02Å; V173-W273 HydrophobicContact CB-CZ2 4.39Å; V173-W273 HydrophobicContact CG2-CZ2 4.02Å; N176-W273 HydrophobicContact CB-CH2 4.35Å; K271-W273 PolarHBondContact O-N 3.32Å; W273-R275 PolarHBondContact O-N 3.35Å; W273-V276 HydrophobicContact CE3-CB 3.92Å; W273-V276 HydrophobicContact CE3-CG1 3.94Å; W273-V276 HydrophobicContact CE3-CG2 4.2Å; W273-V276 HydrophobicContact CZ3-CB 4.43Å; W273-V276 HydrophobicContact CZ3-CG1 3.98Å; W273-V276 PolarHBondContact O-N 3.22Å; W273-Y277 HydrophobicContact CD2-CD2 4.43Å; W273-Y277 HydrophobicContact CD2-CE2 4.21Å; W273-Y277 AromaticContact CE3-CD2 3.53Å; W273-Y277 HydrophobicContact CE3-CD2 3.53Å; W273-Y277 AromaticContact CE3-CE2 3.19Å; W273-Y277 HydrophobicContact CE3-CE2 3.19Å; W273-Y277 HydrophobicContact CH2-CE2 4.42Å; W273-Y277 HydrophobicContact CZ3-CD2 4.11Å; W273-Y277 AromaticContact CZ3-CE2 3.33Å; W273-Y277 HydrophobicContact CZ3-CE2 3.33Å; W273-Y277 PolarHBondContact O-N 2.81Å; W273-F282 HydrophobicContact CB-CD2 3.99Å; W273-F282 HydrophobicContact CB-CE2 4.18Å
274L95Very high95.7Very high53 Ų5359.7 Ų59.728%0.27729%0.288SS..Hα-helixtrans-58.7-37.4172.9175.561.3000110.9K271 W272 V276 G278 A279 F282K271-L274 HydrophobicContact CB-CB 4.4Å; K271-L274 HydrophobicContact CD-CD2 4.48Å; K271-L274 WeakPolarHBondContact O-CB 3.46Å; K271-L274 PolarHBondContact O-N 2.65Å; W272-L274 VanDerWaalsContact C-N 3.28Å; W272-L274 PolarHBondContact O-N 3.37Å; L274-V276 VanDerWaalsContact C-N 3.28Å; L274-V276 PolarHBondContact O-N 3.18Å; L274-G278 VanDerWaalsContact O-CA 3.24Å; L274-G278 WeakPolarHBondContact O-CA 3.23Å; L274-G278 PolarHBondContact O-N 3.4Å; L274-A279 HydrophobicContact CD1-CB 4.04Å; L274-F282 HydrophobicContact CB-CB 4.4Å; L274-F282 HydrophobicContact CB-CD1 3.83Å; L274-F282 HydrophobicContact CB-CD2 4.03Å; L274-F282 HydrophobicContact CB-CE1 3.99Å; L274-F282 HydrophobicContact CB-CE2 4.21Å; L274-F282 HydrophobicContact CB-CG 3.82Å; L274-F282 HydrophobicContact CB-CZ 4.18Å; L274-F282 HydrophobicContact CD1-CB 3.94Å; L274-F282 HydrophobicContact CD1-CD1 3.73Å; L274-F282 HydrophobicContact CD1-CE1 4.48Å; L274-F282 HydrophobicContact CD1-CG 3.99Å; L274-F282 HydrophobicContact CG-CD1 4.23Å; L274-F282 HydrophobicContact CG-CG 4.5Å
275R91.9Very high95.6Very high230 Ų23060 Ų6087%0.86829%0.29SS*.Hα-helixtrans-73.1-22.4178-61.7-178.9-179.1172.9-0.3113W272 W273W272-R275 PolarHBondContact O-N 3.41Å; W273-R275 PolarHBondContact O-N 3.35Å
276V93Very high95.4Very high76 Ų7662.6 Ų62.646%0.46130%0.299SS..Hα-helixtrans-88.2-43.8-177179.60000111.2W272 W273 L274W272-V276 HydrophobicContact CD2-CG2 4.49Å; W272-V276 HydrophobicContact CE3-CG2 4.07Å; W272-V276 HydrophobicContact CH2-CG2 3.84Å; W272-V276 HydrophobicContact CZ2-CG2 4.27Å; W272-V276 HydrophobicContact CZ3-CG2 3.73Å; W273-V276 HydrophobicContact CE3-CB 3.92Å; W273-V276 HydrophobicContact CE3-CG1 3.94Å; W273-V276 HydrophobicContact CE3-CG2 4.2Å; W273-V276 HydrophobicContact CZ3-CB 4.43Å; W273-V276 HydrophobicContact CZ3-CG1 3.98Å; W273-V276 PolarHBondContact O-N 3.22Å; L274-V276 VanDerWaalsContact C-N 3.28Å; L274-V276 PolarHBondContact O-N 3.18Å
277Y92.5Very high95.1Very high62 Ų6269.2 Ų69.224%0.24333%0.328CS..Hα-helixtrans-109.1-10.5-173.8-71.9-68.8000114.9P172 L175 W273 I281P172-Y277 HydrophobicContact CB-CD2 3.92Å; P172-Y277 HydrophobicContact CB-CE2 3.83Å; P172-Y277 HydrophobicContact CG-CD2 3.33Å; P172-Y277 HydrophobicContact CG-CE2 3.61Å; P172-Y277 HydrophobicContact CG-CG 4.31Å; L175-Y277 HydrophobicContact CD2-CE1 4.23Å; W273-Y277 HydrophobicContact CD2-CD2 4.43Å; W273-Y277 HydrophobicContact CD2-CE2 4.21Å; W273-Y277 AromaticContact CE3-CD2 3.53Å; W273-Y277 HydrophobicContact CE3-CD2 3.53Å; W273-Y277 AromaticContact CE3-CE2 3.19Å; W273-Y277 HydrophobicContact CE3-CE2 3.19Å; W273-Y277 HydrophobicContact CH2-CE2 4.42Å; W273-Y277 HydrophobicContact CZ3-CD2 4.11Å; W273-Y277 AromaticContact CZ3-CE2 3.33Å; W273-Y277 HydrophobicContact CZ3-CE2 3.33Å; W273-Y277 PolarHBondContact O-N 2.81Å; Y277-I281 HydrophobicContact CD1-CD1 4.04Å; Y277-I281 HydrophobicContact CD1-CG2 4.4Å; Y277-I281 HydrophobicContact CG-CG2 4.16Å
278G95Very high95Very high32 Ų3269.9 Ų69.933%0.3333%0.333SS..  trans73.3170.4-171.400000113.3L274 F282L274-G278 VanDerWaalsContact O-CA 3.24Å; L274-G278 WeakPolarHBondContact O-CA 3.23Å; L274-G278 PolarHBondContact O-N 3.4Å; G278-F282 WeakPolarHBondContact O-CB 3.29Å; G278-F282 PolarHBondContact O-N 3.48Å
279A95.2Very high94.8Very high44 Ų4476.1 Ų76.136%0.36437%0.367SS..Hα-helixtrans-64.4-40.6-174.500000112.8L274 I281 F282 D283L274-A279 HydrophobicContact CD1-CB 4.04Å; A279-I281 CarbonylContact O-C 3.53Å; A279-I281 PolarHBondContact O-N 2.99Å; A279-F282 PolarHBondContact O-N 2.64Å; A279-D283 WeakPolarHBondContact O-CB 3.46Å; A279-D283 PolarHBondContact O-N 2.84Å
280D94.7Very high94.8Very high138 Ų13879.5 Ų79.574%0.73838%0.383SS*.Hα-helixtrans-57.4-27.6-176.1-65.2-16.1000114.4K284D280-K284 VanDerWaalsContact O-CD 3.28Å; D280-K284 WeakPolarHBondContact O-CD 3.37Å; D280-K284 WeakPolarHBondContact O-CE 3.47Å; D280-K284 PolarHBondContact O-NZ 3.49Å; D280-K284 VanDerWaalsContact O-NZ 3.11Å
281I94.6Very high94.8Very high60 Ų6086.7 Ų86.731%0.30842%0.421SS..Hα-helixtrans-97-52.5173.5-63.8175.6000109.1L175 Y277 A279 D283 K284 Y285L175-I281 HydrophobicContact CD2-CG2 4.05Å; Y277-I281 HydrophobicContact CD1-CD1 4.04Å; Y277-I281 HydrophobicContact CD1-CG2 4.4Å; Y277-I281 HydrophobicContact CG-CG2 4.16Å; A279-I281 CarbonylContact O-C 3.53Å; A279-I281 PolarHBondContact O-N 2.99Å; I281-D283 PolarHBondContact O-N 2.96Å; I281-K284 WeakPolarHBondContact O-CB 3.46Å; I281-K284 PolarHBondContact O-N 3.08Å; I281-Y285 HydrophobicContact CG2-CD2 4.45Å; I281-Y285 HydrophobicContact CG2-CE2 3.96Å; I281-Y285 VanDerWaalsContact O-CD2 3.29Å; I281-Y285 WeakPolarHBondContact O-CD2 3.24Å
282F95.6Very high94.9Very high3 Ų382.4 Ų82.41%0.01341%0.406CS..Hα-helixtrans-56.4-44.4-172.7178.1-100.3000113.5K271 W273 L274 G278 A279 K284 Y285 R286K271-F282 HydrophobicContact CG-CZ 4.44Å; W273-F282 HydrophobicContact CB-CD2 3.99Å; W273-F282 HydrophobicContact CB-CE2 4.18Å; L274-F282 HydrophobicContact CB-CB 4.4Å; L274-F282 HydrophobicContact CB-CD1 3.83Å; L274-F282 HydrophobicContact CB-CD2 4.03Å; L274-F282 HydrophobicContact CB-CE1 3.99Å; L274-F282 HydrophobicContact CB-CE2 4.21Å; L274-F282 HydrophobicContact CB-CG 3.82Å; L274-F282 HydrophobicContact CB-CZ 4.18Å; L274-F282 HydrophobicContact CD1-CB 3.94Å; L274-F282 HydrophobicContact CD1-CD1 3.73Å; L274-F282 HydrophobicContact CD1-CE1 4.48Å; L274-F282 HydrophobicContact CD1-CG 3.99Å; L274-F282 HydrophobicContact CG-CD1 4.23Å; L274-F282 HydrophobicContact CG-CG 4.5Å; G278-F282 WeakPolarHBondContact O-CB 3.29Å; G278-F282 PolarHBondContact O-N 3.48Å; A279-F282 PolarHBondContact O-N 2.64Å; F282-K284 PolarHBondContact O-N 2.87Å; F282-Y285 PolarHBondContact O-N 3.45Å; F282-Y285 VanDerWaalsContact O-N 3.09Å; F282-R286 HydrophobicContact CE1-CB 4.29Å; F282-R286 HydrophobicContact CE1-CG 4.42Å; F282-R286 PolarHBondContact O-N 3.36Å
283D95.7Very high95.1Very high86 Ų8678.1 Ų78.146%0.4639%0.391SS..Hα-helixtrans-69.5-22.3-175-69.4-22.6000112.7A279 I281 Y285 R286 K287A279-D283 WeakPolarHBondContact O-CB 3.46Å; A279-D283 PolarHBondContact O-N 2.84Å; I281-D283 PolarHBondContact O-N 2.96Å; D283-Y285 VanDerWaalsContact C-N 3.26Å; D283-Y285 PolarHBondContact O-N 3.24Å; D283-R286 PolarHBondContact O-N 2.52Å; D283-K287 PolarHBondContact O-N 2.89Å
284K96.4Very high95.4Very high123 Ų12376.6 Ų76.654%0.53539%0.385SS..Hα-helixtrans-66.2-29.1173.5-63.4174.9177.6156.10112.4P193 D280 I281 F282P193-K284 HydrophobicContact CB-CB 3.73Å; P193-K284 HydrophobicContact CG-CB 3.87Å; P193-K284 HydrophobicContact CG-CD 4.37Å; D280-K284 VanDerWaalsContact O-CD 3.28Å; D280-K284 WeakPolarHBondContact O-CD 3.37Å; D280-K284 WeakPolarHBondContact O-CE 3.47Å; D280-K284 PolarHBondContact O-NZ 3.49Å; D280-K284 VanDerWaalsContact O-NZ 3.11Å; I281-K284 WeakPolarHBondContact O-CB 3.46Å; I281-K284 PolarHBondContact O-N 3.08Å; F282-K284 PolarHBondContact O-N 2.87Å
285Y97.6Very high95.5Very high7 Ų775.6 Ų75.63%0.02738%0.378CS..Hα-helixtrans-86.2-36.7176.3-68.1-97.9000111.7Q170 P172 L175 G191 P193 I281 F282 D283 K287Q170-Y285 WeakPolarHBondContact CA-O 3.22Å; Q170-Y285 CarbonylContact O-C 3.55Å; Q170-Y285 WeakPolarHBondContact O-CB 3.42Å; P172-Y285 HydrophobicContact CB-CD1 4.36Å; P172-Y285 HydrophobicContact CB-CD2 3.87Å; P172-Y285 HydrophobicContact CB-CE1 4.24Å; P172-Y285 HydrophobicContact CB-CE2 3.75Å; P172-Y285 HydrophobicContact CB-CG 4.2Å; L175-Y285 WeakPolarHBondContact CB-OH 3.19Å; L175-Y285 HydrophobicContact CD2-CE2 4.45Å; G191-Y285 WeakPolarHBondContact O-CE1 3.27Å; G191-Y285 PolarHBondContact O-OH 3.21Å; P193-Y285 HydrophobicContact CB-CD1 4.14Å; P193-Y285 HydrophobicContact CB-CD2 3.92Å; P193-Y285 HydrophobicContact CB-CE1 4.01Å; P193-Y285 HydrophobicContact CB-CE2 3.77Å; P193-Y285 HydrophobicContact CB-CG 4.08Å; P193-Y285 WeakPolarHBondContact CD-OH 3.44Å; P193-Y285 HydrophobicContact CG-CE2 4.07Å; I281-Y285 HydrophobicContact CG2-CD2 4.45Å; I281-Y285 HydrophobicContact CG2-CE2 3.96Å; I281-Y285 VanDerWaalsContact O-CD2 3.29Å; I281-Y285 WeakPolarHBondContact O-CD2 3.24Å; F282-Y285 PolarHBondContact O-N 3.45Å; F282-Y285 VanDerWaalsContact O-N 3.09Å; D283-Y285 VanDerWaalsContact C-N 3.26Å; D283-Y285 PolarHBondContact O-N 3.24Å; Y285-K287 PolarHBondContact O-N 2.77Å
286R94.2Very high95.9Very high58 Ų5864.9 Ų64.922%0.21934%0.337CS..Hα-helixtrans-76.5-20-172.3-173.8166.8178.7128.71.8114.4L269 C270 F282 D283 C288L269-R286 PolarHBondContact O-NH1 3.1Å; L269-R286 VanDerWaalsContact O-NH1 3.14Å; C270-R286 PolarHBondContact O-NH1 2.88Å; F282-R286 HydrophobicContact CE1-CB 4.29Å; F282-R286 HydrophobicContact CE1-CG 4.42Å; F282-R286 PolarHBondContact O-N 3.36Å; D283-R286 PolarHBondContact O-N 2.52Å; R286-C288 PolarHBondContact O-N 3.19Å
287K92.3Very high96.1Very high139 Ų13961.3 Ų61.360%0.60432%0.316SS*.  trans-56.8123.1-171.9-173.1174.7175.7-175.30112.6D283 Y285 D289D283-K287 PolarHBondContact O-N 2.89Å; Y285-K287 PolarHBondContact O-N 2.77Å; K287-D289 WeakPolarHBondContact CE-OD1 3.46Å; K287-D289 WeakPolarHBondContact CE-OD2 3.06Å; K287-D289 IonicContact NZ-OD2 3.23Å; K287-D289 PolarHBondContact NZ-OD2 3.36Å
288C95.6Very high96.2Very high31 Ų3159 Ų5921%0.20931%0.308CS..  trans-145.9104.4171.8-175.60000109C263 A264 R286 M290C263-C288 HydrophobicContact CB-CB 3.79Å; C263-C288 WeakPolarHBondContact CB-SG 3.33Å; C263-C288 WeakPolarHBondContact SG-CA 3.23Å; C263-C288 WeakPolarHBondContact SG-CB 3.32Å; C263-C288 CovalentContact SG-SG 2.04Å; C263-C288 PolarHBondContact SG-SG 2.85Å; A264-C288 PolarHBondContact N-SG 3.37Å; A264-C288 VanDerWaalsContact N-SG 3.38Å; R286-C288 PolarHBondContact O-N 3.19Å; C288-M290 PolarHBondContact O-N 3.5Å
289D94.4Very high96.1Very high133 Ų13360.6 Ų60.671%0.71131%0.314SS*.  trans-86.212.7-174.3-59.5-23.8000112.8K287K287-D289 WeakPolarHBondContact CE-OD1 3.46Å; K287-D289 WeakPolarHBondContact CE-OD2 3.06Å; K287-D289 IonicContact NZ-OD2 3.23Å; K287-D289 PolarHBondContact NZ-OD2 3.36Å
290M97Very high95.9Very high92 Ų9263.2 Ų63.245%0.45332%0.322SS..SBendtrans-100.3151.8-177.6-61.5-178.876.800111P262 A264 C288 V292P262-M290 HydrophobicContact CB-CE 3.83Å; P262-M290 HydrophobicContact CB-SD 3.78Å; A264-M290 HydrophobicContact CB-CB 3.82Å; A264-M290 HydrophobicContact CB-SD 4.37Å; C288-M290 PolarHBondContact O-N 3.5Å; M290-V292 PolarHBondContact O-N 3.15Å
291D97Very high96Very high151 Ų15157.8 Ų57.881%0.80729%0.294SS*.PPolyproline II helixtrans-58.6126.2171.7-66.7-34.2000110.8A264 K293A264-D291 WeakPolarHBondContact CB-O 3.41Å; D291-K293 PolarHBondContact O-N 3.33Å
292V97.8Very high95.9Very high36 Ų3660.7 Ų60.722%0.21832%0.317CS..PPolyproline II helixtrans-66.9123.6-173.6-176.50000110.5V267 M290 Y295V267-V292 HydrophobicContact CB-CG1 3.85Å; V267-V292 HydrophobicContact CB-CG2 4.46Å; V267-V292 HydrophobicContact CG1-CG1 4.45Å; V267-V292 HydrophobicContact CG1-CG2 4.32Å; V267-V292 HydrophobicContact CG2-CB 4.33Å; V267-V292 HydrophobicContact CG2-CG1 3.71Å; V267-V292 HydrophobicContact CG2-CG2 4.05Å; M290-V292 PolarHBondContact O-N 3.15Å; V292-Y295 HydrophobicContact CB-CE1 4.05Å; V292-Y295 HydrophobicContact CG1-CD1 3.67Å; V292-Y295 HydrophobicContact CG1-CD2 4.26Å; V292-Y295 HydrophobicContact CG1-CE1 3.59Å; V292-Y295 HydrophobicContact CG1-CE2 4.22Å; V292-Y295 HydrophobicContact CG1-CG 3.98Å; V292-Y295 HydrophobicContact CG2-CE1 3.87Å
293K98.5Very high96Very high54 Ų5462.3 Ų62.324%0.23533%0.325CS..SBendtrans-99.3-33.8176.9-63.4-168.9179.2-158.70112.5R145 A146 A264 W265 D291R145-K293 PolarHBondContact N-O 3.42Å; A146-K293 HydrophobicContact CB-CB 3.8Å; A146-K293 HydrophobicContact CB-CD 4.1Å; A146-K293 HydrophobicContact CB-CG 3.85Å; A146-K293 PolarHBondContact N-O 3.05Å; A264-K293 HydrophobicContact CB-CB 4.42Å; A264-K293 HydrophobicContact CB-CG 4.09Å; A264-K293 WeakPolarHBondContact O-CA 3.17Å; A264-K293 WeakPolarHBondContact O-CB 3.46Å; A264-K293 PolarHBondContact O-N 2.94Å; W265-K293 HydrophobicContact CD2-CB 3.92Å; W265-K293 HydrophobicContact CD2-CD 3.77Å; W265-K293 HydrophobicContact CD2-CG 4.47Å; W265-K293 HydrophobicContact CE3-CB 3.6Å; W265-K293 HydrophobicContact CE3-CD 4.08Å; W265-K293 HydrophobicContact CH2-CB 4.17Å; W265-K293 HydrophobicContact CH2-CD 3.57Å; W265-K293 HydrophobicContact CH2-CG 4.47Å; W265-K293 HydrophobicContact CZ2-CD 3.26Å; W265-K293 HydrophobicContact CZ2-CG 4.49Å; W265-K293 HydrophobicContact CZ3-CB 3.71Å; W265-K293 HydrophobicContact CZ3-CD 3.97Å; W265-K293 HydrophobicContact CZ3-CG 4.47Å; D291-K293 PolarHBondContact O-N 3.33Å
294V98.7Very high95.9Very high0 Ų060.7 Ų60.70%032%0.32CS..EExtended strand (participates in β ladder)trans-140.1122.4174.4-179.40000109.3L142 K143 F144 V205 A264 W265 V267L142-V294 HydrophobicContact CB-CG1 4.01Å; L142-V294 HydrophobicContact CD1-CG1 4.25Å; L142-V294 HydrophobicContact CD2-CG1 3.97Å; L142-V294 HydrophobicContact CG-CG1 4.31Å; K143-V294 WeakPolarHBondContact O-CA 3.17Å; F144-V294 HydrophobicContact CD1-CG2 3.65Å; F144-V294 HydrophobicContact CD2-CG2 4.43Å; F144-V294 HydrophobicContact CE1-CG2 3.62Å; F144-V294 HydrophobicContact CE2-CG1 4.42Å; F144-V294 HydrophobicContact CE2-CG2 4.39Å; F144-V294 HydrophobicContact CG-CG2 4.06Å; F144-V294 HydrophobicContact CZ-CG2 3.99Å; V205-V294 HydrophobicContact CG2-CG1 4.26Å; A264-V294 PolarHBondContact O-N 3.46Å; W265-V294 HydrophobicContact CE3-CG2 3.8Å; W265-V294 HydrophobicContact CZ3-CG2 4.21Å; W265-V294 WeakPolarHBondContact O-CB 3.19Å; V267-V294 PolarHBondContact N-O 3.39Å
295Y98.6Very high95.2Very high33 Ų3361.3 Ų61.313%0.12933%0.329CS..EExtended strand (participates in β ladder)trans-84.1137165.3-74.8-61.1000109.9L142 K143 R145 V267 L269 V292 I303 P304L142-Y295 CarbonylContact C-O 3.55Å; L142-Y295 VanDerWaalsContact CA-O 3.29Å; L142-Y295 WeakPolarHBondContact CA-O 3.47Å; K143-Y295 PolarHBondContact N-O 2.99Å; K143-Y295 PolarHBondContact O-N 3.39Å; R145-Y295 VanDerWaalsContact CD-CE2 3.49Å; R145-Y295 HydrophobicContact CG-CD2 4.43Å; R145-Y295 HydrophobicContact CG-CE2 4.48Å; R145-Y295 PolarHBondContact NH1-OH 3.39Å; V267-Y295 HydrophobicContact CB-CD1 4.42Å; V267-Y295 HydrophobicContact CG1-CD1 4.32Å; V267-Y295 HydrophobicContact CG1-CE1 4.45Å; L269-Y295 HydrophobicContact CD1-CD1 4.26Å; L269-Y295 HydrophobicContact CD1-CG 4.45Å; L269-Y295 HydrophobicContact CD2-CD1 3.85Å; L269-Y295 HydrophobicContact CD2-CE1 4.27Å; L269-Y295 HydrophobicContact CG-CD1 4.3Å; V292-Y295 HydrophobicContact CB-CE1 4.05Å; V292-Y295 HydrophobicContact CG1-CD1 3.67Å; V292-Y295 HydrophobicContact CG1-CD2 4.26Å; V292-Y295 HydrophobicContact CG1-CE1 3.59Å; V292-Y295 HydrophobicContact CG1-CE2 4.22Å; V292-Y295 HydrophobicContact CG1-CG 3.98Å; V292-Y295 HydrophobicContact CG2-CE1 3.87Å; Y295-I303 HydrophobicContact CD2-CG2 4.04Å; Y295-I303 HydrophobicContact CG-CG2 4.09Å; Y295-P304 HydrophobicContact CE1-CG 4.45Å; Y295-P304 HydrophobicContact CE2-CB 4.26Å; Y295-P304 HydrophobicContact CE2-CG 4.15Å
296H98.4Very high93.6Very high4 Ų470.1 Ų70.12%0.01937%0.37CS..EExtended strand (participates in β ladder)trans-113.5108.5174.5-175.8179.4000109.5D139 D141 L142 N202 N266 V267 Q268 L269 N298D139-H296 IonicContact OD2-CE1 3.32Å; D139-H296 IonicContact OD2-NE2 2.65Å; D141-H296 IonicContact OD1-CD2 3.31Å; D141-H296 PolarHBondContact OD1-CD2 3.41Å; D141-H296 IonicContact OD1-NE2 2.67Å; D141-H296 PolarHBondContact OD1-NE2 3Å; L142-H296 HydrophobicContact CD2-CB 3.56Å; N202-H296 PolarHBondContact OD1-CE1 3.4Å; N202-H296 VanDerWaalsContact OD1-CE1 3.25Å; N202-H296 PolarHBondContact OD1-ND1 2.98Å; N266-H296 VanDerWaalsContact OD1-CB 3.28Å; N266-H296 WeakPolarHBondContact OD1-CB 3.48Å; N266-H296 PolarHBondContact OD1-ND1 2.85Å; V267-H296 PolarHBondContact O-N 2.94Å; Q268-H296 HydrophobicContact CG-CB 4.47Å; L269-H296 WeakPolarHBondContact CB-O 3.35Å; L269-H296 PolarHBondContact N-O 3.31Å; H296-N298 PolarHBondContact O-N 3.28Å; H296-N298 PolarHBondContact O-OD1 2.77Å
297G97.5Very high93.6Very high2 Ų270.8 Ų70.82%0.02138%0.378CS..  trans-74.829.5-179.600000114.6D141 N300 S301D141-G297 WeakPolarHBondContact O-CA 3.22Å; D141-G297 PolarHBondContact O-N 3.16Å; G297-N300 CarbonylContact O-C 3.58Å; G297-N300 PolarHBondContact O-N 2.9Å; G297-S301 PolarHBondContact O-N 3.28Å
298N95.2Very high93.7Very high13 Ų1367.2 Ų67.27%0.0737%0.366CS..THydrogen-bonded Turntrans-54.4156.5-177.963.1-12.9000112.4Q268 L269 C270 H296 N300 S301Q268-N298 PolarHBondContact OE1-ND2 2.82Å; L269-N298 PolarHBondContact N-OD1 3.45Å; C270-N298 HydrophobicContact CB-CB 4.45Å; C270-N298 WeakPolarHBondContact CB-O 3.31Å; C270-N298 WeakPolarHBondContact CB-OD1 3.38Å; C270-N298 PolarHBondContact N-OD1 2.89Å; H296-N298 PolarHBondContact O-N 3.28Å; H296-N298 PolarHBondContact O-OD1 2.77Å; N298-N300 PolarHBondContact O-N 3.42Å; N298-S301 WeakPolarHBondContact O-CB 3.3Å; N298-S301 PolarHBondContact O-N 3.15Å; N298-S301 PolarHBondContact O-OG 2.8Å
299C92.4Very high93.6Very high66 Ų6669.2 Ų69.245%0.44638%0.375SS..THydrogen-bonded Turntrans52.834-168.6-47.20000113.2C270 S301C270-C299 HydrophobicContact CB-CB 3.52Å; C270-C299 WeakPolarHBondContact CB-SG 3.28Å; C270-C299 WeakPolarHBondContact SG-CB 3.28Å; C270-C299 CovalentContact SG-SG 2.02Å; C270-C299 PolarHBondContact SG-SG 2.98Å; C299-S301 PolarHBondContact O-N 3.08Å
300N92.1Very high93.5Very high99 Ų9965.4 Ų65.453%0.52936%0.355SS..THydrogen-bonded Turntrans63.721.6178.3-76.7-58.6000114.4K32 G297 N298K32-N300 WeakPolarHBondContact CE-OD1 3.18Å; K32-N300 VanDerWaalsContact NZ-CG 3.29Å; K32-N300 PolarHBondContact NZ-O 3.44Å; K32-N300 VanDerWaalsContact NZ-O 3.16Å; K32-N300 PolarHBondContact NZ-OD1 3.48Å; G297-N300 CarbonylContact O-C 3.58Å; G297-N300 PolarHBondContact O-N 2.9Å; N298-N300 PolarHBondContact O-N 3.42Å
301S95.2Very high93.3Very high24 Ų2463.8 Ų63.817%0.16835%0.349CS..PPolyproline II helixtrans-67.2140.4-176.7-59.20000111.3C270 G297 N298 C299 I303C270-S301 VanDerWaalsContact CA-OG 3.29Å; C270-S301 WeakPolarHBondContact CA-OG 3.13Å; C270-S301 PolarHBondContact N-OG 3.39Å; G297-S301 PolarHBondContact O-N 3.28Å; N298-S301 WeakPolarHBondContact O-CB 3.3Å; N298-S301 PolarHBondContact O-N 3.15Å; N298-S301 PolarHBondContact O-OG 2.8Å; C299-S301 PolarHBondContact O-N 3.08Å; S301-I303 PolarHBondContact O-N 3.42Å
302P94.4Very high93.1Very high120 Ų12057.9 Ų57.978%0.77932%0.318SS*.PPolyproline II helixtrans-65.3129.3174.227.7-33.1000109.7L269L269-P302 WeakPolarHBondContact CD1-O 3.29Å
303I96.4Very high92.7Very high37 Ų3759.5 Ų59.519%0.1933%0.325CS..PPolyproline II helixtrans-87.9131.6174.5-56.8174.1000108.4D141 K143 L269 Y295 S301D141-I303 VanDerWaalsContact O-CD1 3.31Å; D141-I303 WeakPolarHBondContact O-CD1 3.44Å; K143-I303 HydrophobicContact CB-CD1 4.1Å; K143-I303 HydrophobicContact CB-CG2 3.65Å; K143-I303 HydrophobicContact CD-CG2 3.66Å; K143-I303 HydrophobicContact CG-CG2 4.3Å; L269-I303 HydrophobicContact CD1-CB 4.22Å; L269-I303 HydrophobicContact CD1-CG1 3.98Å; L269-I303 HydrophobicContact CD1-CG2 4.35Å; Y295-I303 HydrophobicContact CD2-CG2 4.04Å; Y295-I303 HydrophobicContact CG-CG2 4.09Å; S301-I303 PolarHBondContact O-N 3.42Å
304P93.3Very high92.3Very high53 Ų5359.9 Ų59.934%0.34433%0.332SS..PPolyproline II helixtrans-55.3139.9175.5-25.234.4000112.5K143 Y295K143-P304 PolarHBondContact NZ-O 3.35Å; Y295-P304 HydrophobicContact CE1-CG 4.45Å; Y295-P304 HydrophobicContact CE2-CB 4.26Å; Y295-P304 HydrophobicContact CE2-CG 4.15Å
305D81.9Confident91.7Very high136 Ų13664.9 Ų64.973%0.72736%0.36SS*.  trans-76.3-27.6177.9-74-37.6000112.7K143K143-D305 PolarHBondContact NZ-O 3.25Å
306E65.4Low91.1Very high192 Ų19267.8 Ų67.890%0.89738%0.381SS*.  trans-74.80179.5-61.9178.7-175.500114.9R145R145-E306 VanDerWaalsContact CZ-OXT 3.23Å; R145-E306 PolarHBondContact NH1-O 3.17Å; R145-E306 VanDerWaalsContact NH1-O 3.1Å; R145-E306 PolarHBondContact NH2-O 3.04Å; R145-E306 PolarHBondContact NH2-OXT 2.85Å

Retrieved 306 of 306 residues in 132.3 ms (Link to these results)

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