A0A096N3M1_PAPAN Loading...

Aldo-keto reductase family 1 member D1

AlphaFold DB (G7MMM0), UniProt , Accession A0A096N3M1, Species PAPAN (Papio anubis, Olive baboon), Gene AKR1D1, Length 326 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
1M61.3Low94.4Very high170 Ų17075.1 Ų75.184%0.83745%0.45SS*.  0126.40-83177.4-88.200107I10M1-I10 HydrophobicContact SD-CG2 3.81Å
2D91.1Very high94.8Very high162 Ų16269.6 Ų69.687%0.86642%0.417SS*.  trans-78.7120.1173.7-16712.2000108.3
3L97.9Very high95.1Very high19 Ų1968.2 Ų68.210%0.09941%0.412CS..  trans-121.5122.6-175.4-66.5172.5000108.2H8 I10 I20 I264 F287L3-H8 HydrophobicContact CD2-CB 4.13Å; L3-I10 HydrophobicContact CD2-CG2 4.35Å; L3-I20 HydrophobicContact CD1-CD1 3.73Å; L3-I20 HydrophobicContact CD1-CG2 4.26Å; L3-I20 HydrophobicContact CD2-CD1 4.46Å; L3-I20 HydrophobicContact CD2-CG2 4.38Å; L3-I264 HydrophobicContact CD1-CD1 4.35Å; L3-F287 HydrophobicContact CB-CD1 3.95Å; L3-F287 HydrophobicContact CB-CE1 4.02Å
4S98.6Very high95.4Very high49 Ų4966.7 Ų66.734%0.34340%0.401SS..  trans-123.4161.8177.868.20000111.4A6 S7 H8S4-A6 PolarHBondContact O-N 3.16Å; S4-A6 VanDerWaalsContact O-N 3.16Å; S4-S7 PolarHBondContact N-O 3.41Å; S4-S7 CarbonylContact O-C 3.51Å; S4-S7 VanDerWaalsContact O-C 3.23Å; S4-S7 PolarHBondContact O-N 3.47Å; S4-S7 VanDerWaalsContact O-N 3.15Å; S4-S7 PolarHBondContact OG-N 2.56Å; S4-S7 PolarHBondContact OG-O 3.04Å; S4-H8 WeakPolarHBondContact O-CB 3.35Å; S4-H8 PolarHBondContact O-ND1 3.03Å
5A98.4Very high95.6Very high48 Ų4867.1 Ų67.140%0.39742%0.424SS..SBendtrans-55.6-33.3173.900000112.7H8 F284 F287A5-H8 PolarHBondContact O-CE1 3.16Å; A5-H8 PolarHBondContact O-ND1 3.15Å; A5-H8 VanDerWaalsContact O-ND1 3.13Å; A5-F284 HydrophobicContact CB-CE1 3.95Å; A5-F284 HydrophobicContact CB-CZ 4.49Å; A5-F287 HydrophobicContact CB-CD2 4.02Å
6A98.1Very high95.8Very high100 Ų10066.7 Ų66.783%0.82642%0.418SS*.SBendtrans-81.7-30.9178.800000113.6S4S4-A6 PolarHBondContact O-N 3.16Å; S4-A6 VanDerWaalsContact O-N 3.16Å
7S98.4Very high96Very high80 Ų8065.3 Ų65.356%0.55941%0.411SS*.  trans-143.5105.7-178.4-177.50000110.8S4S4-S7 PolarHBondContact N-O 3.41Å; S4-S7 CarbonylContact O-C 3.51Å; S4-S7 VanDerWaalsContact O-C 3.23Å; S4-S7 PolarHBondContact O-N 3.47Å; S4-S7 VanDerWaalsContact O-N 3.15Å; S4-S7 PolarHBondContact OG-N 2.56Å; S4-S7 PolarHBondContact OG-O 3.04Å
8H98.7Very high96.1Very high8 Ų861.7 Ų61.74%0.03739%0.388CS..  trans-143.333.6-177.251-92.7000111.7L3 S4 A5 I20 F284 F287L3-H8 HydrophobicContact CD2-CB 4.13Å; S4-H8 WeakPolarHBondContact O-CB 3.35Å; S4-H8 PolarHBondContact O-ND1 3.03Å; A5-H8 PolarHBondContact O-CE1 3.16Å; A5-H8 PolarHBondContact O-ND1 3.15Å; A5-H8 VanDerWaalsContact O-ND1 3.13Å; H8-I20 HydrophobicContact CB-CG2 3.96Å; H8-I20 WeakPolarHBondContact O-CB 3.36Å; H8-I20 WeakPolarHBondContact O-CG2 3.47Å; H8-I20 PolarHBondContact O-N 2.97Å; H8-F284 AromaticContact CE1-CE2 3.99Å; H8-F284 AromaticContact CE1-CZ 3.74Å; H8-F287 HydrophobicContact CB-CD1 4.46Å; H8-F287 HydrophobicContact CB-CE1 3.53Å; H8-F287 HydrophobicContact CB-CZ 3.65Å; H8-F287 AromaticContact CG-CZ 3.56Å; H8-F287 AromaticContact ND1-CZ 3.83Å
9R98.8Very high96.3Very high87 Ų8758.4 Ų58.433%0.32837%0.368SS..EExtended strand (participates in β ladder)trans-84.1140.1171.8-76.8174.3172.2-91.72.6110.1S17 I18 P19 D81R9-S17 PolarHBondContact NH1-O 2.78Å; R9-S17 PolarHBondContact NH1-OG 2.74Å; R9-I18 CarbonylContact C-O 3.41Å; R9-I18 VanDerWaalsContact CA-O 3.3Å; R9-I18 WeakPolarHBondContact CA-O 3.31Å; R9-P19 HydrophobicContact CG-CB 4.31Å; R9-P19 HydrophobicContact CG-CG 3.95Å; R9-D81 PolarHBondContact NH2-O 3.27Å
10I98.8Very high96.4Very high8 Ų855.6 Ų55.64%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-115.7151.2171.661.7170.7000110M1 L3 S17 I18 I20 V215 V269M1-I10 HydrophobicContact SD-CG2 3.81Å; L3-I10 HydrophobicContact CD2-CG2 4.35Å; I10-S17 CarbonylContact O-C 3.55Å; I10-S17 VanDerWaalsContact O-CA 3.23Å; I10-S17 WeakPolarHBondContact O-CA 3.47Å; I10-S17 VanDerWaalsContact O-CB 3.32Å; I10-S17 WeakPolarHBondContact O-CB 3.25Å; I10-I18 HydrophobicContact CD1-CG2 4.3Å; I10-I18 HydrophobicContact CG1-CG2 3.67Å; I10-I18 PolarHBondContact N-O 3.48Å; I10-I18 PolarHBondContact O-N 3.23Å; I10-I20 HydrophobicContact CD1-CD1 4.29Å; I10-I20 HydrophobicContact CD1-CG1 4.21Å; I10-I20 HydrophobicContact CG2-CB 4.46Å; I10-I20 HydrophobicContact CG2-CD1 3.9Å; I10-I20 HydrophobicContact CG2-CG1 4.43Å; I10-V215 HydrophobicContact CD1-CG1 3.92Å; I10-V215 HydrophobicContact CD1-CG2 4.43Å; I10-V269 HydrophobicContact CD1-CG2 3.81Å; I10-V269 HydrophobicContact CG1-CG2 4.43Å
11P98.8Very high96.5Very high95 Ų9552.9 Ų52.962%0.61733%0.333SS*.EExtended strand (participates in β ladder)trans-69.2146.5-176.728.5-35.5000112.1
12L98.9Very high98.3Very high9 Ų944.8 Ų44.85%0.04729%0.293CS..  trans-103.7154.9164.7-67.1170.3000109D14 G15 N16 I18 F83 V190 V215L12-D14 WeakPolarHBondContact CB-OD1 3.17Å; L12-D14 PolarHBondContact O-N 3.28Å; L12-D14 VanDerWaalsContact O-N 3.11Å; L12-G15 PolarHBondContact O-N 3.11Å; L12-G15 VanDerWaalsContact O-N 3.14Å; L12-N16 HydrophobicContact CB-CB 4.49Å; L12-N16 HydrophobicContact CD1-CB 4.13Å; L12-N16 PolarHBondContact N-O 3.15Å; L12-I18 HydrophobicContact CD1-CB 4.12Å; L12-I18 HydrophobicContact CD1-CG2 4.46Å; L12-I18 HydrophobicContact CD2-CB 4.3Å; L12-I18 HydrophobicContact CD2-CG2 3.79Å; L12-I18 HydrophobicContact CG-CB 4.24Å; L12-I18 HydrophobicContact CG-CG2 4.04Å; L12-F83 HydrophobicContact CD1-CE2 4.28Å; L12-F83 HydrophobicContact CD1-CZ 4.45Å; L12-V190 HydrophobicContact CB-CB 4.15Å; L12-V190 HydrophobicContact CB-CG2 4.38Å; L12-V190 HydrophobicContact CD1-CG2 4.1Å; L12-V190 HydrophobicContact CD2-CB 4.1Å; L12-V190 HydrophobicContact CD2-CG2 3.94Å; L12-V190 HydrophobicContact CG-CG2 4.37Å; L12-V215 HydrophobicContact CD2-CB 4.2Å; L12-V215 HydrophobicContact CD2-CG2 3.99Å
13S98.8Very high98.7Very high51 Ų5137.1 Ų37.136%0.35725%0.252SS..THydrogen-bonded Turntrans-70.3-6.8-174.646.90000115.1K188 D213S13-K188 WeakPolarHBondContact OG-CE 3.24Å; S13-D213 VanDerWaalsContact CB-O 3.29Å; S13-D213 WeakPolarHBondContact CB-O 3.34Å; S13-D213 PolarHBondContact OG-O 2.94Å
14D98.6Very high98.7Very high48 Ų4836.5 Ų36.526%0.25725%0.25SC..THydrogen-bonded Turntrans-97.69.7174.170.9-12.7000113.8L12 N16 K158 S165 V190L12-D14 WeakPolarHBondContact CB-OD1 3.17Å; L12-D14 PolarHBondContact O-N 3.28Å; L12-D14 VanDerWaalsContact O-N 3.11Å; D14-N16 VanDerWaalsContact C-N 3.31Å; D14-N16 VanDerWaalsContact CG-ND2 3.35Å; D14-N16 PolarHBondContact O-N 2.93Å; D14-N16 WeakPolarHBondContact OD1-CB 3.46Å; D14-N16 PolarHBondContact OD1-N 3.48Å; D14-N16 VanDerWaalsContact OD1-N 3.13Å; D14-N16 PolarHBondContact OD1-ND2 3.37Å; D14-N16 PolarHBondContact OD2-ND2 3.16Å; D14-K158 IonicContact OD2-NZ 2.74Å; D14-K158 PolarHBondContact OD2-NZ 3.1Å; D14-S165 WeakPolarHBondContact OD2-CA 3.3Å; D14-S165 WeakPolarHBondContact OD2-CB 3.43Å; D14-S165 PolarHBondContact OD2-OG 2.96Å; D14-V190 HydrophobicContact CB-CG1 3.79Å
15G98.6Very high98.8Very high73 Ų7334.1 Ų34.175%0.75323%0.233SC*.SBendtrans86.7-8.4-179.800000114.6L12L12-G15 PolarHBondContact O-N 3.11Å; L12-G15 VanDerWaalsContact O-N 3.14Å
16N98.8Very high98.8Very high60 Ų6035.5 Ų35.532%0.32123%0.229SC..  trans-74.2-178.8168.2-67.1-54.9000111L12 D14 K164 S165L12-N16 HydrophobicContact CB-CB 4.49Å; L12-N16 HydrophobicContact CD1-CB 4.13Å; L12-N16 PolarHBondContact N-O 3.15Å; D14-N16 VanDerWaalsContact C-N 3.31Å; D14-N16 VanDerWaalsContact CG-ND2 3.35Å; D14-N16 PolarHBondContact O-N 2.93Å; D14-N16 WeakPolarHBondContact OD1-CB 3.46Å; D14-N16 PolarHBondContact OD1-N 3.48Å; D14-N16 VanDerWaalsContact OD1-N 3.13Å; D14-N16 PolarHBondContact OD1-ND2 3.37Å; D14-N16 PolarHBondContact OD2-ND2 3.16Å; N16-K164 PolarHBondContact ND2-O 3.38Å; N16-S165 PolarHBondContact ND2-OG 3.11Å; N16-S165 VanDerWaalsContact ND2-OG 3.12Å
17S98.9Very high98.7Very high43 Ų4331.4 Ų31.430%0.30119%0.194SC..EExtended strand (participates in β ladder)trans-141152.417363.60000111.5R9 I10R9-S17 PolarHBondContact NH1-O 2.78Å; R9-S17 PolarHBondContact NH1-OG 2.74Å; I10-S17 CarbonylContact O-C 3.55Å; I10-S17 VanDerWaalsContact O-CA 3.23Å; I10-S17 WeakPolarHBondContact O-CA 3.47Å; I10-S17 VanDerWaalsContact O-CB 3.32Å; I10-S17 WeakPolarHBondContact O-CB 3.25Å
18I98.9Very high98.7Very high0 Ų030.6 Ų30.60%018%0.181CC..EExtended strand (participates in β ladder)trans-121.2132.7-179.5-174.2166.8000110.3R9 I10 L12 I20 F83 I217 V269R9-I18 CarbonylContact C-O 3.41Å; R9-I18 VanDerWaalsContact CA-O 3.3Å; R9-I18 WeakPolarHBondContact CA-O 3.31Å; I10-I18 HydrophobicContact CD1-CG2 4.3Å; I10-I18 HydrophobicContact CG1-CG2 3.67Å; I10-I18 PolarHBondContact N-O 3.48Å; I10-I18 PolarHBondContact O-N 3.23Å; L12-I18 HydrophobicContact CD1-CB 4.12Å; L12-I18 HydrophobicContact CD1-CG2 4.46Å; L12-I18 HydrophobicContact CD2-CB 4.3Å; L12-I18 HydrophobicContact CD2-CG2 3.79Å; L12-I18 HydrophobicContact CG-CB 4.24Å; L12-I18 HydrophobicContact CG-CG2 4.04Å; I18-I20 PolarHBondContact O-N 3.33Å; I18-F83 HydrophobicContact CB-CE2 4.02Å; I18-F83 HydrophobicContact CB-CZ 4.03Å; I18-F83 HydrophobicContact CD1-CD1 4.46Å; I18-F83 HydrophobicContact CD1-CE1 3.68Å; I18-F83 HydrophobicContact CD1-CZ 3.69Å; I18-F83 HydrophobicContact CG1-CD1 4.19Å; I18-F83 HydrophobicContact CG1-CD2 4.44Å; I18-F83 HydrophobicContact CG1-CE1 3.81Å; I18-F83 HydrophobicContact CG1-CE2 4.08Å; I18-F83 HydrophobicContact CG1-CG 4.48Å; I18-F83 HydrophobicContact CG1-CZ 3.72Å; I18-I217 HydrophobicContact CD1-CD1 3.75Å; I18-I217 HydrophobicContact CD1-CG1 4.3Å; I18-V269 HydrophobicContact CD1-CG1 4.25Å; I18-V269 HydrophobicContact CD1-CG2 4.29Å; I18-V269 HydrophobicContact CG1-CG2 4.49Å; I18-V269 HydrophobicContact CG2-CG2 3.93Å
19P98.9Very high98.6Very high0 Ų032.4 Ų32.40%019%0.194CC..EExtended strand (participates in β ladder)trans-63.5127.9169.6-19.332000110.5R9 I21 R50 H51 F83R9-P19 HydrophobicContact CG-CB 4.31Å; R9-P19 HydrophobicContact CG-CG 3.95Å; P19-I21 PolarHBondContact O-N 2.77Å; P19-I21 VanDerWaalsContact O-N 3.14Å; P19-R50 HydrophobicContact CB-CB 4.45Å; P19-R50 HydrophobicContact CG-CB 4.02Å; P19-H51 HydrophobicContact CB-CB 3.71Å; P19-H51 HydrophobicContact CG-CB 3.77Å; P19-H51 PolarHBondContact O-ND1 3.24Å; P19-H51 VanDerWaalsContact O-ND1 3.16Å; P19-F83 HydrophobicContact CG-CB 4.06Å
20I98.9Very high98.5Very high1 Ų138.1 Ų38.11%0.00522%0.221CC..SBendtrans-67.3-16.2-171.8-154.4168.2000113.7L3 H8 I10 I18 I264 V269 V270 F287L3-I20 HydrophobicContact CD1-CD1 3.73Å; L3-I20 HydrophobicContact CD1-CG2 4.26Å; L3-I20 HydrophobicContact CD2-CD1 4.46Å; L3-I20 HydrophobicContact CD2-CG2 4.38Å; H8-I20 HydrophobicContact CB-CG2 3.96Å; H8-I20 WeakPolarHBondContact O-CB 3.36Å; H8-I20 WeakPolarHBondContact O-CG2 3.47Å; H8-I20 PolarHBondContact O-N 2.97Å; I10-I20 HydrophobicContact CD1-CD1 4.29Å; I10-I20 HydrophobicContact CD1-CG1 4.21Å; I10-I20 HydrophobicContact CG2-CB 4.46Å; I10-I20 HydrophobicContact CG2-CD1 3.9Å; I10-I20 HydrophobicContact CG2-CG1 4.43Å; I18-I20 PolarHBondContact O-N 3.33Å; I20-I264 HydrophobicContact CD1-CB 3.82Å; I20-I264 HydrophobicContact CD1-CG2 4.37Å; I20-I264 VanDerWaalsContact CD1-O 3.24Å; I20-I264 WeakPolarHBondContact CD1-O 3.37Å; I20-I264 HydrophobicContact CG1-CB 4.03Å; I20-I264 HydrophobicContact CG1-CG2 4.01Å; I20-I264 HydrophobicContact CG2-CB 4.16Å; I20-I264 HydrophobicContact CG2-CG2 4.05Å; I20-V269 HydrophobicContact CG1-CG2 4.4Å; I20-V269 CarbonylContact O-C 3.56Å; I20-V269 VanDerWaalsContact O-CA 3.26Å; I20-V269 WeakPolarHBondContact O-CA 3.4Å; I20-V269 WeakPolarHBondContact O-CG1 3.07Å; I20-V270 PolarHBondContact O-N 2.89Å; I20-F287 HydrophobicContact CG2-CE1 4.26Å; I20-F287 HydrophobicContact CG2-CZ 4.41Å
21I98.9Very high98.4Very high0 Ų041.4 Ų41.40%025%0.245CC..BIsolated β-bridgetrans-123.9132.3169.9-178.1164.4000109.8P19 Y49 V270 P272 N283 F284 I286 F287P19-I21 PolarHBondContact O-N 2.77Å; P19-I21 VanDerWaalsContact O-N 3.14Å; I21-Y49 HydrophobicContact CD1-CE1 3.83Å; I21-Y49 HydrophobicContact CG1-CD1 4.2Å; I21-Y49 HydrophobicContact CG1-CE1 3.63Å; I21-V270 CarbonylContact C-O 3.55Å; I21-V270 VanDerWaalsContact CA-O 3.31Å; I21-V270 WeakPolarHBondContact CA-O 3.45Å; I21-V270 HydrophobicContact CB-CG2 4.05Å; I21-V270 HydrophobicContact CD1-CG2 4.28Å; I21-V270 HydrophobicContact CG1-CG2 3.96Å; I21-P272 HydrophobicContact CD1-CG 4.22Å; I21-P272 HydrophobicContact CG1-CG 4.39Å; I21-N283 VanDerWaalsContact CD1-O 3.3Å; I21-N283 WeakPolarHBondContact CD1-O 3.37Å; I21-F284 HydrophobicContact CD1-CD2 4.34Å; I21-F284 HydrophobicContact CG2-CD2 3.97Å; I21-F284 HydrophobicContact CG2-CE2 3.76Å; I21-I286 HydrophobicContact CD1-CD1 3.71Å; I21-F287 HydrophobicContact CG2-CE2 4.08Å; I21-F287 HydrophobicContact CG2-CZ 3.73Å
22G98.9Very high98.4Very high0 Ų038.2 Ų38.20%022%0.224CC..  trans-128.6167.2170.700000113H51 V270 I271 P272G22-H51 CarbonylContact C-O 3.56Å; G22-H51 WeakPolarHBondContact CA-O 3.3Å; G22-V270 PolarHBondContact N-O 3.36Å; G22-I271 WeakPolarHBondContact O-CA 3.33Å; G22-P272 VanDerWaalsContact O-CD 3.25Å; G22-P272 WeakPolarHBondContact O-CD 3.44Å
23L98.9Very high98.4Very high1 Ų142.4 Ų42.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-91.1116.8170.3-18072.5000109.1V41 A44 Y49 H51 I52 D53 I280L23-V41 HydrophobicContact CD2-CG2 3.99Å; L23-A44 HydrophobicContact CB-CB 4.2Å; L23-A44 HydrophobicContact CD2-CB 3.78Å; L23-A44 HydrophobicContact CG-CB 4.4Å; L23-Y49 HydrophobicContact CB-CD1 4.27Å; L23-H51 PolarHBondContact N-O 2.9Å; L23-I52 HydrophobicContact CB-CD1 3.9Å; L23-I52 HydrophobicContact CD2-CD1 4.43Å; L23-D53 PolarHBondContact O-N 3.27Å; L23-I280 HydrophobicContact CD1-CG1 4.45Å
24G98.9Very high98.3Very high5 Ų547.7 Ų47.75%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-72.8143.6166.800000111.1P272 K273G24-P272 PolarHBondContact N-O 2.83Å; G24-K273 WeakPolarHBondContact O-CA 3.49Å; G24-K273 VanDerWaalsContact O-CB 3.31Å; G24-K273 WeakPolarHBondContact O-CB 3.36Å; G24-K273 WeakPolarHBondContact O-CG 3.24Å
25T98.9Very high98.3Very high0 Ų046.7 Ų46.70%027%0.269CS..  trans-119.70.2-172.758.30000115.3S27 V41 I52 D53 G54 N60 V64T25-S27 PolarHBondContact O-N 3.18Å; T25-V41 HydrophobicContact CG2-CG2 4.16Å; T25-I52 HydrophobicContact CG2-CG2 3.75Å; T25-D53 WeakPolarHBondContact CB-O 3.32Å; T25-D53 WeakPolarHBondContact CG2-O 3.24Å; T25-D53 PolarHBondContact N-O 3.11Å; T25-D53 PolarHBondContact OG1-O 3.18Å; T25-G54 WeakPolarHBondContact OG1-CA 3.45Å; T25-N60 PolarHBondContact O-ND2 3.46Å; T25-V64 HydrophobicContact CG2-CG2 4.01Å
26Y98.6Very high98.3Very high77 Ų7744.2 Ų44.230%0.30224%0.242SC..  trans-58.1128.8171.9172.5-101.4000111.1Y58 W230 K273Y26-Y58 AromaticContact CD2-CD1 3.8Å; Y26-Y58 HydrophobicContact CD2-CD1 3.8Å; Y26-Y58 HydrophobicContact CD2-CE1 4.08Å; Y26-Y58 HydrophobicContact CD2-CG 4.17Å; Y26-W230 AromaticContact CE1-CZ2 3.81Å; Y26-W230 HydrophobicContact CE1-CZ2 3.81Å; Y26-W230 PolarHBondContact OH-NE1 3.42Å; Y26-K273 VanDerWaalsContact O-CD 3.25Å; Y26-K273 WeakPolarHBondContact O-CD 3.38Å; Y26-K273 WeakPolarHBondContact O-CE 3.47Å; Y26-K273 WeakPolarHBondContact O-CG 3.5Å
27S97.8Very high98.3Very high14 Ų1441.4 Ų41.410%0.09823%0.227CC..  trans-147.7145170.8-155.70000108T25 P29 T32 K273T25-S27 PolarHBondContact O-N 3.18Å; S27-P29 WeakPolarHBondContact O-CD 3.29Å; S27-P29 VanDerWaalsContact O-N 3.1Å; S27-T32 VanDerWaalsContact CB-OG1 3.26Å; S27-T32 WeakPolarHBondContact CB-OG1 3.49Å; S27-T32 WeakPolarHBondContact OG-CG2 3.33Å; S27-T32 PolarHBondContact OG-OG1 3.36Å; S27-K273 PolarHBondContact OG-NZ 3.45Å
28E97.6Very high98.3Very high62 Ų6239.5 Ų39.529%0.2921%0.214SC..  trans-61.1115.2-178.2176.2174.8-11900110K30 S31 T32 N227E28-K30 PolarHBondContact O-N 3.09Å; E28-K30 VanDerWaalsContact O-N 3.16Å; E28-S31 WeakPolarHBondContact CB-OG 3.32Å; E28-S31 WeakPolarHBondContact CG-OG 3.32Å; E28-S31 PolarHBondContact O-N 2.88Å; E28-S31 PolarHBondContact O-OG 3.36Å; E28-S31 WeakPolarHBondContact OE2-CB 3.39Å; E28-S31 PolarHBondContact OE2-OG 3.05Å; E28-T32 WeakPolarHBondContact O-CB 3.23Å; E28-T32 PolarHBondContact O-N 3.18Å; E28-T32 VanDerWaalsContact O-N 3.1Å; E28-T32 PolarHBondContact O-OG1 3.27Å; E28-N227 PolarHBondContact OE1-ND2 2.88Å
29P96.4Very high98.3Very high47 Ų4743.4 Ų43.431%0.30524%0.237SC..THydrogen-bonded Turntrans-61.4-32.3-169.1-28.136.4000113.8S27 Q59S27-P29 WeakPolarHBondContact O-CD 3.29Å; S27-P29 VanDerWaalsContact O-N 3.1Å; P29-Q59 HydrophobicContact CB-CB 4.42Å; P29-Q59 HydrophobicContact CB-CG 4.47Å; P29-Q59 HydrophobicContact CG-CB 4.38Å; P29-Q59 HydrophobicContact CG-CG 4.21Å
30K96.6Very high98.3Very high207 Ų20743.6 Ų43.690%0.924%0.239SC*.THydrogen-bonded Turntrans-72.5-26.9-177.3-67.9-171.4177.2-1770113.9E28E28-K30 PolarHBondContact O-N 3.09Å; E28-K30 VanDerWaalsContact O-N 3.16Å
31S97.3Very high98.3Very high76 Ų7643.6 Ų43.653%0.53124%0.239SC..THydrogen-bonded Turntrans-114-2.8-173.360.50000113.3E28E28-S31 WeakPolarHBondContact CB-OG 3.32Å; E28-S31 WeakPolarHBondContact CG-OG 3.32Å; E28-S31 PolarHBondContact O-N 2.88Å; E28-S31 PolarHBondContact O-OG 3.36Å; E28-S31 WeakPolarHBondContact OE2-CB 3.39Å; E28-S31 PolarHBondContact OE2-OG 3.05Å
32T97.9Very high98.3Very high29 Ų2945.7 Ų45.718%0.17825%0.248CC..SBendtrans-94.8125.9-177.7-57.30000111S27 E28 A36 F275S27-T32 VanDerWaalsContact CB-OG1 3.26Å; S27-T32 WeakPolarHBondContact CB-OG1 3.49Å; S27-T32 WeakPolarHBondContact OG-CG2 3.33Å; S27-T32 PolarHBondContact OG-OG1 3.36Å; E28-T32 WeakPolarHBondContact O-CB 3.23Å; E28-T32 PolarHBondContact O-N 3.18Å; E28-T32 VanDerWaalsContact O-N 3.1Å; E28-T32 PolarHBondContact O-OG1 3.27Å; T32-A36 HydrophobicContact CG2-CB 4.1Å; T32-F275 HydrophobicContact CG2-CD2 4.03Å; T32-F275 HydrophobicContact CG2-CE2 3.93Å
33P98.2Very high98.3Very high97 Ų9747 Ų4763%0.6326%0.255SS*.PPolyproline II helixtrans-59.4139.9173.6-23.433.8000112.1A36P33-A36 WeakPolarHBondContact O-CB 3.3Å; P33-A36 PolarHBondContact O-N 2.85Å
34K98.2Very high98.3Very high162 Ų16246.9 Ų46.970%0.70426%0.255SS*.THydrogen-bonded Turntrans-60.7141.9172.4-62.8-62.7-177-1790110.5A36K34-A36 PolarHBondContact O-N 3.48Å
35G98.4Very high98.3Very high27 Ų2746.7 Ų46.728%0.27825%0.253SS..THydrogen-bonded Turntrans79.5-6.3-17700000114.7C37 A38 T39 E63G35-C37 VanDerWaalsContact C-N 3.29Å; G35-C37 PolarHBondContact O-N 3.45Å; G35-A38 PolarHBondContact O-N 3.25Å; G35-T39 WeakPolarHBondContact O-CB 3.43Å; G35-T39 PolarHBondContact O-N 2.89Å; G35-T39 PolarHBondContact O-OG1 2.85Å; G35-E63 VanDerWaalsContact C-OE2 3.25Å; G35-E63 WeakPolarHBondContact CA-OE2 3.5Å; G35-E63 VanDerWaalsContact N-CD 3.27Å; G35-E63 PolarHBondContact N-OE1 3.45Å; G35-E63 PolarHBondContact N-OE2 3.42Å
36A98.8Very high98.3Very high21 Ų2150.2 Ų50.217%0.17427%0.272CS..Hα-helixtrans-65.1-34.7176.800000111.8T32 P33 K34 S40 E63 F275T32-A36 HydrophobicContact CG2-CB 4.1Å; P33-A36 WeakPolarHBondContact O-CB 3.3Å; P33-A36 PolarHBondContact O-N 2.85Å; K34-A36 PolarHBondContact O-N 3.48Å; A36-S40 VanDerWaalsContact O-CB 3.29Å; A36-S40 WeakPolarHBondContact O-CB 3.47Å; A36-S40 PolarHBondContact O-N 3.02Å; A36-S40 VanDerWaalsContact O-N 3.14Å; A36-S40 PolarHBondContact O-OG 3.13Å; A36-E63 PolarHBondContact N-OE2 3.25Å; A36-F275 HydrophobicContact CB-CD2 3.85Å; A36-F275 HydrophobicContact CB-CE2 4.33Å
37C98.9Very high98.3Very high1 Ų148.1 Ų48.11%0.00727%0.267CS..Hα-helixtrans-70-49.6177.4-173.40000110.1G35 T39 S40 V41 N60 E63 V64 F275G35-C37 VanDerWaalsContact C-N 3.29Å; G35-C37 PolarHBondContact O-N 3.45Å; C37-T39 VanDerWaalsContact C-N 3.34Å; C37-T39 PolarHBondContact O-N 3.29Å; C37-S40 PolarHBondContact O-N 3.08Å; C37-S40 VanDerWaalsContact O-N 3.09Å; C37-V41 WeakPolarHBondContact O-CG2 3.35Å; C37-V41 PolarHBondContact O-N 3.49Å; C37-N60 HydrophobicContact CB-CB 4.01Å; C37-E63 WeakPolarHBondContact CA-OE2 3.36Å; C37-E63 HydrophobicContact CB-CB 3.84Å; C37-E63 HydrophobicContact CB-CG 4.47Å; C37-E63 WeakPolarHBondContact CB-OE2 3.29Å; C37-E63 PolarHBondContact N-OE2 3.35Å; C37-V64 VanDerWaalsContact SG-CG2 3.59Å; C37-F275 VanDerWaalsContact CA-CZ 3.49Å; C37-F275 HydrophobicContact CB-CE1 4.25Å; C37-F275 HydrophobicContact CB-CE2 3.98Å; C37-F275 HydrophobicContact CB-CZ 3.53Å
38A98.9Very high98.4Very high3 Ų348.1 Ų48.13%0.02527%0.269CS..Hα-helixtrans-55.6-49.6179.100000111.4G35 S40 V41 K42 E63 A67G35-A38 PolarHBondContact O-N 3.25Å; A38-S40 VanDerWaalsContact C-N 3.3Å; A38-S40 PolarHBondContact O-N 2.99Å; A38-V41 PolarHBondContact O-N 2.74Å; A38-K42 WeakPolarHBondContact O-CG 3.43Å; A38-K42 PolarHBondContact O-N 2.98Å; A38-E63 WeakPolarHBondContact CA-O 3.46Å; A38-E63 HydrophobicContact CB-CB 3.91Å; A38-E63 HydrophobicContact CB-CG 4.5Å; A38-E63 PolarHBondContact N-OE2 2.91Å; A38-E63 VanDerWaalsContact N-OE2 3.12Å; A38-A67 HydrophobicContact CB-CB 4.5Å; A38-A67 WeakPolarHBondContact O-CB 3.33Å
39T98.9Very high98.5Very high81 Ų8145.2 Ų45.250%0.49726%0.256SS..Hα-helixtrans-57.3-44.9177.7-57.30000111.5G35 C37 K42 V43G35-T39 WeakPolarHBondContact O-CB 3.43Å; G35-T39 PolarHBondContact O-N 2.89Å; G35-T39 PolarHBondContact O-OG1 2.85Å; C37-T39 VanDerWaalsContact C-N 3.34Å; C37-T39 PolarHBondContact O-N 3.29Å; T39-K42 PolarHBondContact O-N 2.88Å; T39-V43 VanDerWaalsContact O-CG2 3.3Å; T39-V43 WeakPolarHBondContact O-CG2 3.49Å; T39-V43 PolarHBondContact O-N 3.47Å
40S98.9Very high98.6Very high5 Ų545.9 Ų45.94%0.03525%0.252CS..Hα-helixtrans-69.4-38.3-176.9-58.20000112.8A36 C37 A38 V43 A44 F275A36-S40 VanDerWaalsContact O-CB 3.29Å; A36-S40 WeakPolarHBondContact O-CB 3.47Å; A36-S40 PolarHBondContact O-N 3.02Å; A36-S40 VanDerWaalsContact O-N 3.14Å; A36-S40 PolarHBondContact O-OG 3.13Å; C37-S40 PolarHBondContact O-N 3.08Å; C37-S40 VanDerWaalsContact O-N 3.09Å; A38-S40 VanDerWaalsContact C-N 3.3Å; A38-S40 PolarHBondContact O-N 2.99Å; S40-V43 PolarHBondContact O-N 3.47Å; S40-A44 WeakPolarHBondContact O-CB 3.34Å; S40-A44 PolarHBondContact O-N 3.12Å; S40-F275 WeakPolarHBondContact OG-CA 3.46Å; S40-F275 WeakPolarHBondContact OG-CB 3.15Å; S40-F275 WeakPolarHBondContact OG-CD1 3.48Å; S40-F275 WeakPolarHBondContact OG-CG 3.47Å
41V98.9Very high98.7Very high0 Ų036 Ų360%021%0.209CC..Hα-helixtrans-64.5-43.3175.4172.70000110.5L23 T25 C37 A38 V43 A44 I45 I52 V64 A67 I68L23-V41 HydrophobicContact CD2-CG2 3.99Å; T25-V41 HydrophobicContact CG2-CG2 4.16Å; C37-V41 WeakPolarHBondContact O-CG2 3.35Å; C37-V41 PolarHBondContact O-N 3.49Å; A38-V41 PolarHBondContact O-N 2.74Å; V41-V43 PolarHBondContact O-N 3.14Å; V41-A44 PolarHBondContact O-N 3.31Å; V41-I45 HydrophobicContact CG1-CD1 3.96Å; V41-I45 WeakPolarHBondContact O-CG1 3.42Å; V41-I45 PolarHBondContact O-N 2.9Å; V41-I52 HydrophobicContact CG1-CD1 3.97Å; V41-I52 HydrophobicContact CG1-CG1 4.16Å; V41-I52 HydrophobicContact CG2-CG2 4.17Å; V41-V64 HydrophobicContact CG2-CG2 4.28Å; V41-A67 HydrophobicContact CB-CB 3.55Å; V41-A67 HydrophobicContact CG1-CB 3.46Å; V41-A67 VanDerWaalsContact CG1-CB 3.46Å; V41-I68 HydrophobicContact CG1-CG1 4.35Å
42K98.9Very high98.8Very high44 Ų4432.4 Ų32.419%0.19118%0.184CC..Hα-helixtrans-59.4-48.7175.3-70.3-168.6-69.8-168.50111.9A38 T39 A44 I45 D46 A67 E70 K71A38-K42 WeakPolarHBondContact O-CG 3.43Å; A38-K42 PolarHBondContact O-N 2.98Å; T39-K42 PolarHBondContact O-N 2.88Å; K42-A44 VanDerWaalsContact C-N 3.3Å; K42-A44 PolarHBondContact O-N 2.92Å; K42-I45 PolarHBondContact O-N 3.11Å; K42-D46 PolarHBondContact O-N 3.39Å; K42-A67 HydrophobicContact CD-CB 4.48Å; K42-A67 HydrophobicContact CG-CB 3.64Å; K42-E70 HydrophobicContact CD-CB 4.42Å; K42-E70 HydrophobicContact CD-CG 4.28Å; K42-E70 VanDerWaalsContact CD-OE1 3.24Å; K42-E70 WeakPolarHBondContact CD-OE1 3.35Å; K42-E70 WeakPolarHBondContact CD-OE2 3.48Å; K42-E70 IonicContact NZ-OE1 3.79Å; K42-E70 PolarHBondContact NZ-OE1 2.92Å; K42-E70 IonicContact NZ-OE2 3.88Å; K42-E70 PolarHBondContact NZ-OE2 2.93Å; K42-K71 HydrophobicContact CG-CG 4.3Å
43V98.9Very high98.8Very high27 Ų2731.2 Ų31.216%0.16418%0.177CC..Hα-helixtrans-58.2-41.9175.9168.10000111.6T39 S40 V41 D46 T47 L277 I280T39-V43 VanDerWaalsContact O-CG2 3.3Å; T39-V43 WeakPolarHBondContact O-CG2 3.49Å; T39-V43 PolarHBondContact O-N 3.47Å; S40-V43 PolarHBondContact O-N 3.47Å; V41-V43 PolarHBondContact O-N 3.14Å; V43-D46 PolarHBondContact O-N 2.84Å; V43-T47 WeakPolarHBondContact O-CB 3.48Å; V43-T47 PolarHBondContact O-N 3.06Å; V43-T47 PolarHBondContact O-OG1 2.69Å; V43-L277 HydrophobicContact CB-CD1 4.32Å; V43-L277 HydrophobicContact CG1-CD1 3.37Å; V43-L277 HydrophobicContact CG2-CD1 3.9Å; V43-I280 HydrophobicContact CB-CD1 4.25Å; V43-I280 HydrophobicContact CG1-CB 4.13Å; V43-I280 HydrophobicContact CG1-CD1 3.94Å; V43-I280 HydrophobicContact CG1-CG2 3.87Å
44A98.9Very high98.8Very high0 Ų026.6 Ų26.60%015%0.147CC..Hα-helixtrans-64.6-45.2177.900000111.7L23 S40 V41 K42 D46 T47 G48 Y49 I280L23-A44 HydrophobicContact CB-CB 4.2Å; L23-A44 HydrophobicContact CD2-CB 3.78Å; L23-A44 HydrophobicContact CG-CB 4.4Å; S40-A44 WeakPolarHBondContact O-CB 3.34Å; S40-A44 PolarHBondContact O-N 3.12Å; V41-A44 PolarHBondContact O-N 3.31Å; K42-A44 VanDerWaalsContact C-N 3.3Å; K42-A44 PolarHBondContact O-N 2.92Å; A44-D46 VanDerWaalsContact C-N 3.3Å; A44-D46 PolarHBondContact O-N 3.47Å; A44-T47 WeakPolarHBondContact O-CB 3.29Å; A44-T47 PolarHBondContact O-N 2.86Å; A44-T47 VanDerWaalsContact O-N 3.15Å; A44-G48 PolarHBondContact O-N 3.13Å; A44-Y49 HydrophobicContact CB-CD2 3.71Å; A44-Y49 HydrophobicContact CB-CE2 4.32Å; A44-Y49 HydrophobicContact CB-CG 3.88Å; A44-Y49 WeakPolarHBondContact O-CB 3.48Å; A44-Y49 VanDerWaalsContact O-CD2 3.3Å; A44-Y49 WeakPolarHBondContact O-CD2 3.28Å; A44-Y49 PolarHBondContact O-N 2.83Å; A44-I280 HydrophobicContact CB-CG2 3.88Å
45I98.9Very high98.9Very high0 Ų018.9 Ų18.90%011%0.113CC..Hα-helixtrans-61.1-41.5176.7-67168000111V41 K42 T47 G48 R50 I68 K71 K76 V77 I82V41-I45 HydrophobicContact CG1-CD1 3.96Å; V41-I45 WeakPolarHBondContact O-CG1 3.42Å; V41-I45 PolarHBondContact O-N 2.9Å; K42-I45 PolarHBondContact O-N 3.11Å; I45-T47 VanDerWaalsContact C-N 3.31Å; I45-T47 PolarHBondContact O-N 2.9Å; I45-G48 PolarHBondContact O-N 2.88Å; I45-R50 PolarHBondContact O-NH1 2.93Å; I45-I68 HydrophobicContact CD1-CG1 4.45Å; I45-K71 HydrophobicContact CB-CG 4.07Å; I45-K71 HydrophobicContact CD1-CB 3.99Å; I45-K71 HydrophobicContact CD1-CG 3.81Å; I45-K71 HydrophobicContact CG2-CB 3.98Å; I45-K71 HydrophobicContact CG2-CD 4.31Å; I45-K71 HydrophobicContact CG2-CG 3.86Å; I45-K76 HydrophobicContact CG2-CG 4.13Å; I45-V77 HydrophobicContact CG2-CG1 3.94Å; I45-V77 HydrophobicContact CG2-CG2 4.19Å; I45-I82 HydrophobicContact CD1-CD1 4.14Å; I45-I82 HydrophobicContact CG1-CD1 4.08Å
46D98.9Very high98.9Very high74 Ų7421.6 Ų21.640%0.39612%0.116SC..Hα-helixtrans-63.2-37175.5-74.3-27.5000113.1K42 V43 A44 G48 K71 K76K42-D46 PolarHBondContact O-N 3.39Å; V43-D46 PolarHBondContact O-N 2.84Å; A44-D46 VanDerWaalsContact C-N 3.3Å; A44-D46 PolarHBondContact O-N 3.47Å; D46-G48 VanDerWaalsContact C-N 3.32Å; D46-K71 WeakPolarHBondContact OD1-CE 3.25Å; D46-K71 IonicContact OD1-NZ 2.62Å; D46-K71 PolarHBondContact OD1-NZ 3.49Å; D46-K71 WeakPolarHBondContact OD2-CE 3.45Å; D46-K71 IonicContact OD2-NZ 3.7Å; D46-K71 PolarHBondContact OD2-NZ 3.39Å; D46-K76 WeakPolarHBondContact OD1-CE 3.49Å
47T98.9Very high98.9Very high34 Ų3421.8 Ų21.821%0.20911%0.113CC..Hα-helixtrans-68.8-31.5177.6-59.60000112V43 A44 I45 Y49 K281 F284V43-T47 WeakPolarHBondContact O-CB 3.48Å; V43-T47 PolarHBondContact O-N 3.06Å; V43-T47 PolarHBondContact O-OG1 2.69Å; A44-T47 WeakPolarHBondContact O-CB 3.29Å; A44-T47 PolarHBondContact O-N 2.86Å; A44-T47 VanDerWaalsContact O-N 3.15Å; I45-T47 VanDerWaalsContact C-N 3.31Å; I45-T47 PolarHBondContact O-N 2.9Å; T47-Y49 HydrophobicContact CG2-CD2 4.31Å; T47-Y49 HydrophobicContact CG2-CE2 4.14Å; T47-K281 HydrophobicContact CG2-CG 4.33Å; T47-F284 HydrophobicContact CG2-CB 3.77Å; T47-F284 HydrophobicContact CG2-CD1 3.89Å; T47-F284 HydrophobicContact CG2-CG 3.96Å
48G98.9Very high98.9Very high14 Ų1423.2 Ų23.214%0.14412%0.119CC..THydrogen-bonded Turntrans130.4-2.1-179.600000114.9A44 I45 D46 R50 F284A44-G48 PolarHBondContact O-N 3.13Å; I45-G48 PolarHBondContact O-N 2.88Å; D46-G48 VanDerWaalsContact C-N 3.32Å; G48-R50 PolarHBondContact O-N 3.25Å; G48-F284 VanDerWaalsContact O-CZ 3.32Å; G48-F284 WeakPolarHBondContact O-CZ 3.31Å
49Y98.9Very high98.9Very high0 Ų028.6 Ų28.60%014%0.143CC..  trans-61.6138.9174.6-70.8-106.1000110.2I21 L23 A44 T47 I280 N283 F284I21-Y49 HydrophobicContact CD1-CE1 3.83Å; I21-Y49 HydrophobicContact CG1-CD1 4.2Å; I21-Y49 HydrophobicContact CG1-CE1 3.63Å; L23-Y49 HydrophobicContact CB-CD1 4.27Å; A44-Y49 HydrophobicContact CB-CD2 3.71Å; A44-Y49 HydrophobicContact CB-CE2 4.32Å; A44-Y49 HydrophobicContact CB-CG 3.88Å; A44-Y49 WeakPolarHBondContact O-CB 3.48Å; A44-Y49 VanDerWaalsContact O-CD2 3.3Å; A44-Y49 WeakPolarHBondContact O-CD2 3.28Å; A44-Y49 PolarHBondContact O-N 2.83Å; T47-Y49 HydrophobicContact CG2-CD2 4.31Å; T47-Y49 HydrophobicContact CG2-CE2 4.14Å; Y49-I280 HydrophobicContact CE2-CG2 3.97Å; Y49-I280 WeakPolarHBondContact CE2-O 3.36Å; Y49-I280 PolarHBondContact OH-O 2.95Å; Y49-N283 VanDerWaalsContact OH-CB 3.3Å; Y49-N283 WeakPolarHBondContact OH-CB 3.34Å; Y49-F284 HydrophobicContact CD1-CD2 4.2Å; Y49-F284 HydrophobicContact CD2-CB 4.34Å; Y49-F284 AromaticContact CD2-CD2 3.64Å; Y49-F284 HydrophobicContact CD2-CD2 3.64Å; Y49-F284 HydrophobicContact CD2-CE2 4.2Å; Y49-F284 HydrophobicContact CD2-CG 4.11Å; Y49-F284 HydrophobicContact CE1-CD2 4.12Å; Y49-F284 HydrophobicContact CE2-CB 3.56Å; Y49-F284 AromaticContact CE2-CD2 3.57Å; Y49-F284 HydrophobicContact CE2-CD2 3.57Å; Y49-F284 AromaticContact CE2-CG 3.8Å; Y49-F284 HydrophobicContact CE2-CG 3.8Å; Y49-F284 AromaticContact CG-CD2 3.98Å; Y49-F284 HydrophobicContact CG-CD2 3.98Å; Y49-F284 HydrophobicContact CG-CE2 4.24Å; Y49-F284 AromaticContact CZ-CD2 3.8Å; Y49-F284 PolarHBondContact OH-N 2.58Å
50R98.9Very high98.9Very high61 Ų6125.3 Ų25.323%0.2312%0.123CC..  trans-125.24.1175.1-66.8-61.5177-91.72.2112.9P19 I45 G48 V77 D81 I82 F83P19-R50 HydrophobicContact CB-CB 4.45Å; P19-R50 HydrophobicContact CG-CB 4.02Å; I45-R50 PolarHBondContact O-NH1 2.93Å; G48-R50 PolarHBondContact O-N 3.25Å; R50-V77 VanDerWaalsContact CZ-CG1 3.48Å; R50-D81 WeakPolarHBondContact CB-O 3.41Å; R50-I82 CarbonylContact O-C 3.51Å; R50-F83 WeakPolarHBondContact O-CB 3.36Å; R50-F83 PolarHBondContact O-N 3.4Å
51H98.9Very high98.8Very high0 Ų025.1 Ų25.10%012%0.121CC..EExtended strand (participates in β ladder)trans-126128.6176.3172.3-169.3000109.3P19 G22 L23 F83P19-H51 HydrophobicContact CB-CB 3.71Å; P19-H51 HydrophobicContact CG-CB 3.77Å; P19-H51 PolarHBondContact O-ND1 3.24Å; P19-H51 VanDerWaalsContact O-ND1 3.16Å; G22-H51 CarbonylContact C-O 3.56Å; G22-H51 WeakPolarHBondContact CA-O 3.3Å; L23-H51 PolarHBondContact N-O 2.9Å; H51-F83 CarbonylContact C-O 3.09Å; H51-F83 VanDerWaalsContact CA-O 3.22Å; H51-F83 WeakPolarHBondContact CA-O 3.05Å; H51-F83 HydrophobicContact CB-CB 4.27Å; H51-F83 AromaticContact CD2-CD1 3.55Å; H51-F83 AromaticContact NE2-CD1 3.9Å
52I99Very high98.8Very high0 Ų029.3 Ų29.30%014%0.141CC..EExtended strand (participates in β ladder)trans-121.9126.7173.1-49.2-63.5000108.5L23 T25 V41 V64 F83 Y84 C85L23-I52 HydrophobicContact CB-CD1 3.9Å; L23-I52 HydrophobicContact CD2-CD1 4.43Å; T25-I52 HydrophobicContact CG2-CG2 3.75Å; V41-I52 HydrophobicContact CG1-CD1 3.97Å; V41-I52 HydrophobicContact CG1-CG1 4.16Å; V41-I52 HydrophobicContact CG2-CG2 4.17Å; I52-V64 HydrophobicContact CG2-CG1 3.74Å; I52-F83 PolarHBondContact N-O 2.73Å; I52-Y84 HydrophobicContact CB-CD2 4.3Å; I52-Y84 HydrophobicContact CG2-CD2 4.45Å; I52-Y84 WeakPolarHBondContact O-CA 3.41Å; I52-C85 PolarHBondContact O-N 2.94Å
53D98.9Very high98.8Very high5 Ų527.8 Ų27.83%0.02713%0.134CC..EExtended strand (participates in β ladder)trans-105.7122.8175.8174.8-88.3000109.8L23 T25 C85 K87 Q193 I271L23-D53 PolarHBondContact O-N 3.27Å; T25-D53 WeakPolarHBondContact CB-O 3.32Å; T25-D53 WeakPolarHBondContact CG2-O 3.24Å; T25-D53 PolarHBondContact N-O 3.11Å; T25-D53 PolarHBondContact OG1-O 3.18Å; D53-C85 PolarHBondContact OD2-SG 3.46Å; D53-C85 VanDerWaalsContact OD2-SG 3.34Å; D53-K87 IonicContact OD1-NZ 3.88Å; D53-K87 PolarHBondContact OD1-NZ 2.92Å; D53-K87 WeakPolarHBondContact OD2-CE 3.33Å; D53-K87 IonicContact OD2-NZ 2.71Å; D53-K87 PolarHBondContact OD2-NZ 3.15Å; D53-Q193 PolarHBondContact OD2-NE2 3.07Å; D53-I271 HydrophobicContact CB-CB 4.15Å; D53-I271 HydrophobicContact CB-CD1 3.86Å; D53-I271 HydrophobicContact CB-CG2 3.89Å; D53-I271 VanDerWaalsContact CG-CD1 3.45Å
54G98.8Very high98.8Very high0 Ų026.5 Ų26.50%013%0.127CC..  trans-143.6-178.3178.700000112.8T25 C85 K87T25-G54 WeakPolarHBondContact OG1-CA 3.45Å; G54-C85 PolarHBondContact N-O 3.26Å; G54-K87 WeakPolarHBondContact O-CG 3.49Å; G54-K87 PolarHBondContact O-NZ 2.95Å
55A98.8Very high98.8Very high0 Ų026.5 Ų26.50%013%0.127CC..  trans-158.4147.9173.300000109.2I57 Y58 E61 K87A55-I57 HydrophobicContact CB-CG1 4.12Å; A55-I57 PolarHBondContact O-N 3.33Å; A55-Y58 HydrophobicContact CB-CD1 3.87Å; A55-Y58 HydrophobicContact CB-CD2 3.96Å; A55-Y58 HydrophobicContact CB-CE1 3.65Å; A55-Y58 HydrophobicContact CB-CE2 3.79Å; A55-Y58 HydrophobicContact CB-CG 3.98Å; A55-Y58 WeakPolarHBondContact O-CB 3.42Å; A55-Y58 PolarHBondContact O-N 3.44Å; A55-E61 VanDerWaalsContact C-OE1 3.25Å; A55-K87 HydrophobicContact CB-CB 4.02Å; A55-K87 HydrophobicContact CB-CD 4.1Å; A55-K87 HydrophobicContact CB-CG 3.96Å
56Y98.8Very high98.8Very high84 Ų8430.5 Ų30.533%0.32915%0.145SC..G310 helixtrans-53.5-41.8176.1-179.6-94.7000111.9Y58 Q59 E61 R104 V108Y56-Y58 PolarHBondContact O-N 3.15Å; Y56-Y58 VanDerWaalsContact O-N 3.14Å; Y56-Q59 PolarHBondContact O-N 3.07Å; Y56-E61 WeakPolarHBondContact CA-OE1 3.21Å; Y56-E61 PolarHBondContact N-OE1 2.94Å; Y56-R104 HydrophobicContact CD2-CG 4.36Å; Y56-R104 VanDerWaalsContact CE1-CZ 3.48Å; Y56-R104 HydrophobicContact CE2-CG 3.84Å; Y56-V108 HydrophobicContact CD2-CG2 4.25Å; Y56-V108 HydrophobicContact CE2-CG2 3.93Å
57I98.6Very high98.8Very high24 Ų2427 Ų2712%0.12313%0.126CC..G310 helixtrans-68.6-11.3-178.366155.1000114A55 Q59 W89 V131A55-I57 HydrophobicContact CB-CG1 4.12Å; A55-I57 PolarHBondContact O-N 3.33Å; I57-Q59 PolarHBondContact O-N 3.39Å; I57-W89 HydrophobicContact CD1-CD2 3.72Å; I57-W89 HydrophobicContact CD1-CE3 3.5Å; I57-W89 VanDerWaalsContact CD1-CE3 3.5Å; I57-W89 HydrophobicContact CD1-CG 4.27Å; I57-W89 HydrophobicContact CD1-CH2 4.41Å; I57-W89 HydrophobicContact CD1-CZ3 3.86Å; I57-W89 HydrophobicContact CG2-CB 3.7Å; I57-W89 HydrophobicContact CG2-CD2 4.34Å; I57-W89 HydrophobicContact CG2-CG 3.73Å; I57-V131 HydrophobicContact CB-CG1 4.41Å; I57-V131 HydrophobicContact CG2-CB 4.5Å; I57-V131 HydrophobicContact CG2-CG1 3.83Å
58Y98.6Very high98.8Very high32 Ų3225.4 Ų25.413%0.12512%0.116CC..G310 helixtrans-75.2-5.8173.3-58.7-8.7000112.1Y26 A55 Y56 N60 K87 E120Y26-Y58 AromaticContact CD2-CD1 3.8Å; Y26-Y58 HydrophobicContact CD2-CD1 3.8Å; Y26-Y58 HydrophobicContact CD2-CE1 4.08Å; Y26-Y58 HydrophobicContact CD2-CG 4.17Å; A55-Y58 HydrophobicContact CB-CD1 3.87Å; A55-Y58 HydrophobicContact CB-CD2 3.96Å; A55-Y58 HydrophobicContact CB-CE1 3.65Å; A55-Y58 HydrophobicContact CB-CE2 3.79Å; A55-Y58 HydrophobicContact CB-CG 3.98Å; A55-Y58 WeakPolarHBondContact O-CB 3.42Å; A55-Y58 PolarHBondContact O-N 3.44Å; Y56-Y58 PolarHBondContact O-N 3.15Å; Y56-Y58 VanDerWaalsContact O-N 3.14Å; Y58-N60 WeakPolarHBondContact CB-OD1 3.42Å; Y58-N60 PolarHBondContact O-N 2.9Å; Y58-N60 VanDerWaalsContact O-N 3.14Å; Y58-K87 PolarHBondContact OH-NZ 3.41Å; Y58-E120 PolarHBondContact OH-OE1 3.37Å
59Q98.6Very high98.9Very high116 Ų11628.4 Ų28.454%0.54212%0.123SC..THydrogen-bonded Turntrans62.715.8176.3-51.5-177.613.200114.5P29 Y56 I57 H62P29-Q59 HydrophobicContact CB-CB 4.42Å; P29-Q59 HydrophobicContact CB-CG 4.47Å; P29-Q59 HydrophobicContact CG-CB 4.38Å; P29-Q59 HydrophobicContact CG-CG 4.21Å; Y56-Q59 PolarHBondContact O-N 3.07Å; I57-Q59 PolarHBondContact O-N 3.39Å; Q59-H62 PolarHBondContact O-CE1 3.4Å; Q59-H62 VanDerWaalsContact O-CE1 3.23Å
60N98.8Very high98.9Very high11 Ų1131.9 Ų31.96%0.05914%0.14CC..  trans-133.912.1-178.364.95.5000113T25 C37 Y58 H62 E63 V64T25-N60 PolarHBondContact O-ND2 3.46Å; C37-N60 HydrophobicContact CB-CB 4.01Å; Y58-N60 WeakPolarHBondContact CB-OD1 3.42Å; Y58-N60 PolarHBondContact O-N 2.9Å; Y58-N60 VanDerWaalsContact O-N 3.14Å; N60-H62 PolarHBondContact O-N 3.39Å; N60-E63 WeakPolarHBondContact O-CB 3.49Å; N60-E63 PolarHBondContact O-N 3.12Å; N60-V64 PolarHBondContact O-N 3.35Å
61E98.8Very high98.9Very high2 Ų229.5 Ų29.51%0.00913%0.131CC..Hα-helixtrans-60.7-31-179.7-170.3171-98.400112.2A55 Y56 V64 G65 Y84 T105 V108 L109A55-E61 VanDerWaalsContact C-OE1 3.25Å; Y56-E61 WeakPolarHBondContact CA-OE1 3.21Å; Y56-E61 PolarHBondContact N-OE1 2.94Å; E61-V64 WeakPolarHBondContact O-CB 3.43Å; E61-V64 PolarHBondContact O-N 2.87Å; E61-G65 PolarHBondContact O-N 3.44Å; E61-Y84 WeakPolarHBondContact CG-OH 3.29Å; E61-Y84 PolarHBondContact OE1-OH 2.89Å; E61-T105 PolarHBondContact OE1-OG1 3.01Å; E61-T105 VanDerWaalsContact OE2-CA 3.32Å; E61-T105 WeakPolarHBondContact OE2-CA 3.22Å; E61-T105 VanDerWaalsContact OE2-CB 3.29Å; E61-T105 WeakPolarHBondContact OE2-CB 3.25Å; E61-T105 WeakPolarHBondContact OE2-CG2 3.48Å; E61-T105 PolarHBondContact OE2-OG1 2.73Å; E61-V108 HydrophobicContact CB-CG1 3.86Å; E61-V108 HydrophobicContact CG-CG1 3.99Å; E61-L109 HydrophobicContact CG-CD2 3.82Å; E61-L109 HydrophobicContact CG-CG 4.04Å; E61-L109 WeakPolarHBondContact O-CD2 3.46Å
62H98.9Very high98.8Very high88 Ų8832 Ų3241%0.40714%0.144SC..Hα-helixtrans-63.8-39.2172.557.8-83.2000112.6Q59 N60 V64 G65 E66 V108Q59-H62 PolarHBondContact O-CE1 3.4Å; Q59-H62 VanDerWaalsContact O-CE1 3.23Å; N60-H62 PolarHBondContact O-N 3.39Å; H62-V64 VanDerWaalsContact C-N 3.29Å; H62-V64 PolarHBondContact O-N 3.39Å; H62-G65 PolarHBondContact O-N 3.34Å; H62-E66 WeakPolarHBondContact O-CB 3.35Å; H62-E66 PolarHBondContact O-N 3.06Å; H62-V108 HydrophobicContact CB-CG1 3.88Å; H62-V108 VanDerWaalsContact N-CG1 3.3Å
63E98.9Very high98.8Very high12 Ų1236.3 Ų36.36%0.05618%0.18CC..Hα-helixtrans-67.2-32.3176.9-64.8-166.5-159.400111.3G35 A36 C37 A38 N60 A67G35-E63 VanDerWaalsContact C-OE2 3.25Å; G35-E63 WeakPolarHBondContact CA-OE2 3.5Å; G35-E63 VanDerWaalsContact N-CD 3.27Å; G35-E63 PolarHBondContact N-OE1 3.45Å; G35-E63 PolarHBondContact N-OE2 3.42Å; A36-E63 PolarHBondContact N-OE2 3.25Å; C37-E63 WeakPolarHBondContact CA-OE2 3.36Å; C37-E63 HydrophobicContact CB-CB 3.84Å; C37-E63 HydrophobicContact CB-CG 4.47Å; C37-E63 WeakPolarHBondContact CB-OE2 3.29Å; C37-E63 PolarHBondContact N-OE2 3.35Å; A38-E63 WeakPolarHBondContact CA-O 3.46Å; A38-E63 HydrophobicContact CB-CB 3.91Å; A38-E63 HydrophobicContact CB-CG 4.5Å; A38-E63 PolarHBondContact N-OE2 2.91Å; A38-E63 VanDerWaalsContact N-OE2 3.12Å; N60-E63 WeakPolarHBondContact O-CB 3.49Å; N60-E63 PolarHBondContact O-N 3.12Å; E63-A67 PolarHBondContact O-N 2.83Å; E63-A67 VanDerWaalsContact O-N 3.14Å
64V98.9Very high98.8Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-65.6-48.1172.4179.30000110.6T25 C37 V41 I52 N60 E61 H62 E66 A67 I68 Y84 L109T25-V64 HydrophobicContact CG2-CG2 4.01Å; C37-V64 VanDerWaalsContact SG-CG2 3.59Å; V41-V64 HydrophobicContact CG2-CG2 4.28Å; I52-V64 HydrophobicContact CG2-CG1 3.74Å; N60-V64 PolarHBondContact O-N 3.35Å; E61-V64 WeakPolarHBondContact O-CB 3.43Å; E61-V64 PolarHBondContact O-N 2.87Å; H62-V64 VanDerWaalsContact C-N 3.29Å; H62-V64 PolarHBondContact O-N 3.39Å; V64-E66 VanDerWaalsContact C-N 3.34Å; V64-E66 PolarHBondContact O-N 3.48Å; V64-A67 PolarHBondContact O-N 3.28Å; V64-I68 HydrophobicContact CG1-CD1 3.71Å; V64-I68 HydrophobicContact CG1-CG1 4.36Å; V64-I68 WeakPolarHBondContact O-CG1 3.39Å; V64-I68 PolarHBondContact O-N 3.36Å; V64-Y84 HydrophobicContact CG1-CD2 3.88Å; V64-Y84 HydrophobicContact CG1-CE2 3.71Å; V64-L109 HydrophobicContact CB-CD2 4.4Å; V64-L109 HydrophobicContact CG1-CD2 4.42Å
65G98.9Very high98.8Very high0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-59.5-43.1177.200000112.8E61 H62 I68 R69 L109E61-G65 PolarHBondContact O-N 3.44Å; H62-G65 PolarHBondContact O-N 3.34Å; G65-I68 PolarHBondContact O-N 2.99Å; G65-R69 WeakPolarHBondContact O-CB 3.5Å; G65-R69 WeakPolarHBondContact O-CG 3.46Å; G65-R69 PolarHBondContact O-N 3.24Å; G65-R69 PolarHBondContact O-NE 3.01Å; G65-L109 WeakPolarHBondContact CA-O 3.26Å
66E98.9Very high98.8Very high84 Ų8448.6 Ų48.639%0.39325%0.252SS..Hα-helixtrans-54.3-54.9173.5-178.1-172.2161.100111.7H62 V64 I68 R69 E70H62-E66 WeakPolarHBondContact O-CB 3.35Å; H62-E66 PolarHBondContact O-N 3.06Å; V64-E66 VanDerWaalsContact C-N 3.34Å; V64-E66 PolarHBondContact O-N 3.48Å; E66-I68 PolarHBondContact O-N 3.45Å; E66-R69 PolarHBondContact O-N 3.3Å; E66-E70 WeakPolarHBondContact O-CB 3.4Å; E66-E70 PolarHBondContact O-N 3.39Å
67A98.9Very high98.8Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-63.1-42.1-177.800000113.2A38 V41 K42 E63 V64 K71A38-A67 HydrophobicContact CB-CB 4.5Å; A38-A67 WeakPolarHBondContact O-CB 3.33Å; V41-A67 HydrophobicContact CB-CB 3.55Å; V41-A67 HydrophobicContact CG1-CB 3.46Å; V41-A67 VanDerWaalsContact CG1-CB 3.46Å; K42-A67 HydrophobicContact CD-CB 4.48Å; K42-A67 HydrophobicContact CG-CB 3.64Å; E63-A67 PolarHBondContact O-N 2.83Å; E63-A67 VanDerWaalsContact O-N 3.14Å; V64-A67 PolarHBondContact O-N 3.28Å; A67-K71 WeakPolarHBondContact O-CG 3.47Å; A67-K71 PolarHBondContact O-N 3.25Å; A67-K71 VanDerWaalsContact O-N 3.09Å
68I98.9Very high98.8Very high0 Ų050.4 Ų50.40%026%0.258CS..Hα-helixtrans-61.9-49176.9-70.1171.4000110V41 I45 V64 G65 E66 E70 K71 I72 I82 Y84 L111V41-I68 HydrophobicContact CG1-CG1 4.35Å; I45-I68 HydrophobicContact CD1-CG1 4.45Å; V64-I68 HydrophobicContact CG1-CD1 3.71Å; V64-I68 HydrophobicContact CG1-CG1 4.36Å; V64-I68 WeakPolarHBondContact O-CG1 3.39Å; V64-I68 PolarHBondContact O-N 3.36Å; G65-I68 PolarHBondContact O-N 2.99Å; E66-I68 PolarHBondContact O-N 3.45Å; I68-E70 PolarHBondContact O-N 3.41Å; I68-K71 PolarHBondContact O-N 3.2Å; I68-I72 HydrophobicContact CG2-CD1 3.79Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 3.26Å; I68-I82 HydrophobicContact CD1-CG2 4.1Å; I68-I82 HydrophobicContact CG1-CG2 4.36Å; I68-I82 HydrophobicContact CG2-CG2 4.33Å; I68-Y84 HydrophobicContact CD1-CD2 4.31Å; I68-L111 HydrophobicContact CG2-CD1 4.33Å
69R98.9Very high98.8Very high77 Ų7750.4 Ų50.429%0.29126%0.258SS..Hα-helixtrans-65.1-39.4-178.9-74-178.3-69.1103.1-2.4112.4G65 E66 K71 I72 A73 L109 Q110 L111G65-R69 WeakPolarHBondContact O-CB 3.5Å; G65-R69 WeakPolarHBondContact O-CG 3.46Å; G65-R69 PolarHBondContact O-N 3.24Å; G65-R69 PolarHBondContact O-NE 3.01Å; E66-R69 PolarHBondContact O-N 3.3Å; R69-K71 VanDerWaalsContact C-N 3.34Å; R69-K71 PolarHBondContact O-N 3.27Å; R69-I72 PolarHBondContact O-N 3.25Å; R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.45Å; R69-L109 PolarHBondContact NE-O 3.02Å; R69-Q110 WeakPolarHBondContact CD-O 3.44Å; R69-L111 HydrophobicContact CG-CD2 4.12Å
70E98.9Very high98.8Very high74 Ų7449.7 Ų49.735%0.34625%0.254SS..Hα-helixtrans-60-45.7175-171.4178.9142.500110.9K42 E66 I68 I72 A73 E74K42-E70 HydrophobicContact CD-CB 4.42Å; K42-E70 HydrophobicContact CD-CG 4.28Å; K42-E70 VanDerWaalsContact CD-OE1 3.24Å; K42-E70 WeakPolarHBondContact CD-OE1 3.35Å; K42-E70 WeakPolarHBondContact CD-OE2 3.48Å; K42-E70 IonicContact NZ-OE1 3.79Å; K42-E70 PolarHBondContact NZ-OE1 2.92Å; K42-E70 IonicContact NZ-OE2 3.88Å; K42-E70 PolarHBondContact NZ-OE2 2.93Å; E66-E70 WeakPolarHBondContact O-CB 3.4Å; E66-E70 PolarHBondContact O-N 3.39Å; I68-E70 PolarHBondContact O-N 3.41Å; E70-I72 VanDerWaalsContact C-N 3.31Å; E70-I72 PolarHBondContact O-N 3.44Å; E70-A73 PolarHBondContact O-N 3.44Å; E70-E74 PolarHBondContact O-N 2.88Å
71K98.9Very high98.8Very high10 Ų1051.4 Ų51.44%0.04326%0.264CS..Hα-helixtrans-67-29.2177.3-68.4-58-176.4179.80114K42 I45 D46 A67 I68 R69 E74 K76 V77K42-K71 HydrophobicContact CG-CG 4.3Å; I45-K71 HydrophobicContact CB-CG 4.07Å; I45-K71 HydrophobicContact CD1-CB 3.99Å; I45-K71 HydrophobicContact CD1-CG 3.81Å; I45-K71 HydrophobicContact CG2-CB 3.98Å; I45-K71 HydrophobicContact CG2-CD 4.31Å; I45-K71 HydrophobicContact CG2-CG 3.86Å; D46-K71 WeakPolarHBondContact OD1-CE 3.25Å; D46-K71 IonicContact OD1-NZ 2.62Å; D46-K71 PolarHBondContact OD1-NZ 3.49Å; D46-K71 WeakPolarHBondContact OD2-CE 3.45Å; D46-K71 IonicContact OD2-NZ 3.7Å; D46-K71 PolarHBondContact OD2-NZ 3.39Å; A67-K71 WeakPolarHBondContact O-CG 3.47Å; A67-K71 PolarHBondContact O-N 3.25Å; A67-K71 VanDerWaalsContact O-N 3.09Å; I68-K71 PolarHBondContact O-N 3.2Å; R69-K71 VanDerWaalsContact C-N 3.34Å; R69-K71 PolarHBondContact O-N 3.27Å; K71-E74 HydrophobicContact CD-CG 4.41Å; K71-E74 WeakPolarHBondContact CD-OE1 3.44Å; K71-E74 WeakPolarHBondContact CE-OE1 3.48Å; K71-E74 IonicContact NZ-OE1 3.27Å; K71-E74 PolarHBondContact NZ-OE1 2.92Å; K71-E74 IonicContact NZ-OE2 2.95Å; K71-K76 HydrophobicContact CB-CB 4.41Å; K71-K76 HydrophobicContact CD-CB 4.21Å; K71-K76 HydrophobicContact CD-CG 4.25Å; K71-K76 WeakPolarHBondContact O-CB 3.4Å; K71-K76 PolarHBondContact O-N 2.97Å; K71-V77 HydrophobicContact CB-CG2 4.09Å; K71-V77 PolarHBondContact O-N 3.01Å
72I98.9Very high98.9Very high53 Ų5351.3 Ų51.327%0.27226%0.263SS..Hα-helixtrans-71.5-46170.3-68166.9000110.6I68 R69 E70 E74 G75 V77 R79I68-I72 HydrophobicContact CG2-CD1 3.79Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 3.26Å; R69-I72 PolarHBondContact O-N 3.25Å; E70-I72 VanDerWaalsContact C-N 3.31Å; E70-I72 PolarHBondContact O-N 3.44Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3.13Å; I72-G75 PolarHBondContact O-N 3.13Å; I72-V77 WeakPolarHBondContact CA-O 3.07Å; I72-V77 HydrophobicContact CG1-CG2 4.21Å; I72-R79 HydrophobicContact CD1-CB 4.08Å
73A98.9Very high98.9Very high91 Ų9147.3 Ų47.375%0.75225%0.245SC*.Hα-helixtrans-63.4-35.9-176.600000113R69 E70 G75R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.45Å; E70-A73 PolarHBondContact O-N 3.44Å; A73-G75 PolarHBondContact O-N 3.42Å
74E98.7Very high98.9Very high104 Ų10446.8 Ų46.849%0.48624%0.242SC..THydrogen-bonded Turntrans-79.70174.574.7-179.6-155.800113.8E70 K71 I72 K76E70-E74 PolarHBondContact O-N 2.88Å; K71-E74 HydrophobicContact CD-CG 4.41Å; K71-E74 WeakPolarHBondContact CD-OE1 3.44Å; K71-E74 WeakPolarHBondContact CE-OE1 3.48Å; K71-E74 IonicContact NZ-OE1 3.27Å; K71-E74 PolarHBondContact NZ-OE1 2.92Å; K71-E74 IonicContact NZ-OE2 2.95Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3.13Å; E74-K76 VanDerWaalsContact C-N 3.34Å; E74-K76 HydrophobicContact CG-CB 3.89Å; E74-K76 PolarHBondContact O-N 3.48Å; E74-K76 WeakPolarHBondContact OE1-CB 3.5Å
75G98.6Very high98.9Very high64 Ų6446.8 Ų46.866%0.6624%0.242SC*.THydrogen-bonded Turntrans75.815.7179.200000114.8I72 A73I72-G75 PolarHBondContact O-N 3.13Å; A73-G75 PolarHBondContact O-N 3.42Å
76K98.7Very high98.9Very high94 Ų9446.8 Ų46.841%0.40924%0.242SC..SBendtrans-69-35.5179.9-177.861.6171.3-173.10112.5I45 D46 K71 E74I45-K76 HydrophobicContact CG2-CG 4.13Å; D46-K76 WeakPolarHBondContact OD1-CE 3.49Å; K71-K76 HydrophobicContact CB-CB 4.41Å; K71-K76 HydrophobicContact CD-CB 4.21Å; K71-K76 HydrophobicContact CD-CG 4.25Å; K71-K76 WeakPolarHBondContact O-CB 3.4Å; K71-K76 PolarHBondContact O-N 2.97Å; E74-K76 VanDerWaalsContact C-N 3.34Å; E74-K76 HydrophobicContact CG-CB 3.89Å; E74-K76 PolarHBondContact O-N 3.48Å; E74-K76 WeakPolarHBondContact OE1-CB 3.5Å
77V98.8Very high98.9Very high8 Ų843 Ų435%0.04822%0.224CC..  trans-148.7156.6179.4-69.60000109.7I45 R50 K71 I72 D81 I82I45-V77 HydrophobicContact CG2-CG1 3.94Å; I45-V77 HydrophobicContact CG2-CG2 4.19Å; R50-V77 VanDerWaalsContact CZ-CG1 3.48Å; K71-V77 HydrophobicContact CB-CG2 4.09Å; K71-V77 PolarHBondContact O-N 3.01Å; I72-V77 WeakPolarHBondContact CA-O 3.07Å; I72-V77 HydrophobicContact CG1-CG2 4.21Å; V77-D81 HydrophobicContact CB-CB 4.3Å; V77-I82 HydrophobicContact CB-CD1 4.49Å; V77-I82 HydrophobicContact CB-CG1 4.35Å; V77-I82 HydrophobicContact CG1-CD1 4.43Å; V77-I82 HydrophobicContact CG2-CD1 4.07Å; V77-I82 HydrophobicContact CG2-CG1 3.83Å
78R98.9Very high98.9Very high138 Ų13843 Ų4352%0.52122%0.224SC..  trans-92.8166.5166.3-54171.4-64.714712.4110.1E80 D81R78-E80 VanDerWaalsContact C-N 3.27Å; R78-E80 VanDerWaalsContact CB-CD 3.49Å; R78-E80 HydrophobicContact CB-CG 4.17Å; R78-E80 VanDerWaalsContact CB-OE2 3.24Å; R78-E80 WeakPolarHBondContact CB-OE2 3.22Å; R78-E80 IonicContact CZ-OE1 2.7Å; R78-E80 IonicContact NE-OE1 2.73Å; R78-E80 IonicContact NH1-OE1 3.28Å; R78-E80 PolarHBondContact NH1-OE1 2.99Å; R78-E80 IonicContact NH2-OE1 3.73Å; R78-E80 PolarHBondContact O-N 3.36Å; R78-D81 WeakPolarHBondContact CB-OD2 3.41Å; R78-D81 IonicContact CZ-OD1 2.78Å; R78-D81 PolarHBondContact N-OD2 3.24Å; R78-D81 IonicContact NE-OD1 2.69Å; R78-D81 IonicContact NE-OD2 2.77Å; R78-D81 PolarHBondContact NE-OD2 3.45Å; R78-D81 IonicContact NH2-OD1 2.88Å; R78-D81 PolarHBondContact NH2-OD1 3.4Å; R78-D81 IonicContact NH2-OD2 2.74Å; R78-D81 WeakPolarHBondContact O-CB 3.3Å; R78-D81 PolarHBondContact O-N 3.11Å; R78-D81 VanDerWaalsContact O-N 3.11Å
79R98.9Very high98.9Very high33 Ų3343.5 Ų43.513%0.12523%0.226CC..G310 helixtrans-59.7-40.6-179.6174.757.5-169.193.1-6.1111.4I72 D81 I82 Y113 D115I72-R79 HydrophobicContact CD1-CB 4.08Å; R79-D81 PolarHBondContact O-N 3.33Å; R79-I82 PolarHBondContact NH1-O 2.71Å; R79-I82 PolarHBondContact O-N 3.38Å; R79-Y113 HydrophobicContact CG-CE1 4.04Å; R79-Y113 VanDerWaalsContact NH2-CE2 3.27Å; R79-Y113 PolarHBondContact NH2-O 3.39Å; R79-D115 IonicContact CZ-OD2 2.7Å; R79-D115 VanDerWaalsContact CZ-OD2 3.28Å; R79-D115 IonicContact NH1-OD1 2.75Å; R79-D115 PolarHBondContact NH1-OD1 2.8Å; R79-D115 IonicContact NH1-OD2 3.03Å; R79-D115 PolarHBondContact NH1-OD2 2.86Å; R79-D115 IonicContact NH2-OD1 3.28Å; R79-D115 IonicContact NH2-OD2 2.75Å; R79-D115 PolarHBondContact NH2-OD2 2.83Å
80E98.6Very high98.9Very high100 Ų10039.8 Ų39.847%0.46721%0.212SC..G310 helixtrans-68.7-18.6179.160.9-93.7-14000114.1R78 I82R78-E80 VanDerWaalsContact C-N 3.27Å; R78-E80 VanDerWaalsContact CB-CD 3.49Å; R78-E80 HydrophobicContact CB-CG 4.17Å; R78-E80 VanDerWaalsContact CB-OE2 3.24Å; R78-E80 WeakPolarHBondContact CB-OE2 3.22Å; R78-E80 IonicContact CZ-OE1 2.7Å; R78-E80 IonicContact NE-OE1 2.73Å; R78-E80 IonicContact NH1-OE1 3.28Å; R78-E80 PolarHBondContact NH1-OE1 2.99Å; R78-E80 IonicContact NH2-OE1 3.73Å; R78-E80 PolarHBondContact O-N 3.36Å; E80-I82 VanDerWaalsContact C-N 3.34Å
81D98.8Very high98.9Very high48 Ų4836.4 Ų36.426%0.25720%0.197SC..G310 helixtrans-78.8-24.3176.2-56-38.6000110.9R9 R50 V77 R78 R79R9-D81 PolarHBondContact NH2-O 3.27Å; R50-D81 WeakPolarHBondContact CB-O 3.41Å; V77-D81 HydrophobicContact CB-CB 4.3Å; R78-D81 WeakPolarHBondContact CB-OD2 3.41Å; R78-D81 IonicContact CZ-OD1 2.78Å; R78-D81 PolarHBondContact N-OD2 3.24Å; R78-D81 IonicContact NE-OD1 2.69Å; R78-D81 IonicContact NE-OD2 2.77Å; R78-D81 PolarHBondContact NE-OD2 3.45Å; R78-D81 IonicContact NH2-OD1 2.88Å; R78-D81 PolarHBondContact NH2-OD1 3.4Å; R78-D81 IonicContact NH2-OD2 2.74Å; R78-D81 WeakPolarHBondContact O-CB 3.3Å; R78-D81 PolarHBondContact O-N 3.11Å; R78-D81 VanDerWaalsContact O-N 3.11Å; R79-D81 PolarHBondContact O-N 3.33Å
82I98.9Very high98.8Very high0 Ų036.5 Ų36.50%020%0.198CC..  trans-92.3137179.2-64.7-62.7000111.3I45 R50 I68 V77 R79 E80I45-I82 HydrophobicContact CD1-CD1 4.14Å; I45-I82 HydrophobicContact CG1-CD1 4.08Å; R50-I82 CarbonylContact O-C 3.51Å; I68-I82 HydrophobicContact CD1-CG2 4.1Å; I68-I82 HydrophobicContact CG1-CG2 4.36Å; I68-I82 HydrophobicContact CG2-CG2 4.33Å; V77-I82 HydrophobicContact CB-CD1 4.49Å; V77-I82 HydrophobicContact CB-CG1 4.35Å; V77-I82 HydrophobicContact CG1-CD1 4.43Å; V77-I82 HydrophobicContact CG2-CD1 4.07Å; V77-I82 HydrophobicContact CG2-CG1 3.83Å; R79-I82 PolarHBondContact NH1-O 2.71Å; R79-I82 PolarHBondContact O-N 3.38Å; E80-I82 VanDerWaalsContact C-N 3.34Å
83F98.9Very high98.8Very high4 Ų434.4 Ų34.42%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-112.6113.1171.2-170.4-77.4000109.3L12 I18 P19 R50 H51 I52 C85 D115 L116L12-F83 HydrophobicContact CD1-CE2 4.28Å; L12-F83 HydrophobicContact CD1-CZ 4.45Å; I18-F83 HydrophobicContact CB-CE2 4.02Å; I18-F83 HydrophobicContact CB-CZ 4.03Å; I18-F83 HydrophobicContact CD1-CD1 4.46Å; I18-F83 HydrophobicContact CD1-CE1 3.68Å; I18-F83 HydrophobicContact CD1-CZ 3.69Å; I18-F83 HydrophobicContact CG1-CD1 4.19Å; I18-F83 HydrophobicContact CG1-CD2 4.44Å; I18-F83 HydrophobicContact CG1-CE1 3.81Å; I18-F83 HydrophobicContact CG1-CE2 4.08Å; I18-F83 HydrophobicContact CG1-CG 4.48Å; I18-F83 HydrophobicContact CG1-CZ 3.72Å; P19-F83 HydrophobicContact CG-CB 4.06Å; R50-F83 WeakPolarHBondContact O-CB 3.36Å; R50-F83 PolarHBondContact O-N 3.4Å; H51-F83 CarbonylContact C-O 3.09Å; H51-F83 VanDerWaalsContact CA-O 3.22Å; H51-F83 WeakPolarHBondContact CA-O 3.05Å; H51-F83 HydrophobicContact CB-CB 4.27Å; H51-F83 AromaticContact CD2-CD1 3.55Å; H51-F83 AromaticContact NE2-CD1 3.9Å; I52-F83 PolarHBondContact N-O 2.73Å; F83-C85 HydrophobicContact CE1-CB 4.4Å; F83-D115 WeakPolarHBondContact CA-OD2 3.17Å; F83-D115 HydrophobicContact CB-CB 4.34Å; F83-D115 HydrophobicContact CD1-CB 4.08Å; F83-D115 HydrophobicContact CD2-CB 3.54Å; F83-D115 HydrophobicContact CE1-CB 4.31Å; F83-D115 HydrophobicContact CE2-CB 3.79Å; F83-D115 HydrophobicContact CG-CB 3.71Å; F83-D115 HydrophobicContact CZ-CB 4.19Å; F83-L116 HydrophobicContact CE1-CB 3.61Å; F83-L116 HydrophobicContact CE1-CD2 4.16Å; F83-L116 HydrophobicContact CZ-CB 3.52Å; F83-L116 HydrophobicContact CZ-CD2 4.23Å; F83-L116 HydrophobicContact CZ-CG 4.44Å
84Y99Very high98.8Very high0 Ų031.6 Ų31.60%016%0.16CC..EExtended strand (participates in β ladder)trans-108127.6173.5177-97.5000111.3I52 E61 V64 I68 T105 L109 V114 D115 L116I52-Y84 HydrophobicContact CB-CD2 4.3Å; I52-Y84 HydrophobicContact CG2-CD2 4.45Å; I52-Y84 WeakPolarHBondContact O-CA 3.41Å; E61-Y84 WeakPolarHBondContact CG-OH 3.29Å; E61-Y84 PolarHBondContact OE1-OH 2.89Å; V64-Y84 HydrophobicContact CG1-CD2 3.88Å; V64-Y84 HydrophobicContact CG1-CE2 3.71Å; I68-Y84 HydrophobicContact CD1-CD2 4.31Å; Y84-T105 HydrophobicContact CE1-CG2 4.43Å; Y84-L109 HydrophobicContact CD1-CD1 3.75Å; Y84-L109 HydrophobicContact CE1-CD1 3.42Å; Y84-L109 VanDerWaalsContact CE1-CD1 3.42Å; Y84-L109 HydrophobicContact CE1-CD2 4.29Å; Y84-L109 HydrophobicContact CE1-CG 4.46Å; Y84-L109 HydrophobicContact CE2-CD2 4.29Å; Y84-V114 HydrophobicContact CD1-CB 3.97Å; Y84-V114 HydrophobicContact CD1-CG1 3.62Å; Y84-V114 HydrophobicContact CE1-CG1 3.86Å; Y84-D115 PolarHBondContact N-OD2 3.45Å; Y84-D115 PolarHBondContact O-N 2.79Å; Y84-L116 PolarHBondContact O-N 3.29Å; Y84-L116 VanDerWaalsContact O-N 3.11Å
85C99Very high98.9Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-102.8118.1172.6173.90000110I52 D53 G54 F83 L116I52-C85 PolarHBondContact O-N 2.94Å; D53-C85 PolarHBondContact OD2-SG 3.46Å; D53-C85 VanDerWaalsContact OD2-SG 3.34Å; G54-C85 PolarHBondContact N-O 3.26Å; F83-C85 HydrophobicContact CE1-CB 4.4Å; C85-L116 WeakPolarHBondContact CA-O 3.32Å; C85-L116 HydrophobicContact CB-CB 4.25Å; C85-L116 HydrophobicContact CB-CD2 4.18Å
86G98.9Very high98.9Very high0 Ų032.6 Ų32.60%015%0.152CC..EExtended strand (participates in β ladder)trans-109.5165.8171.200000111.9L116 Y117 I118G86-L116 PolarHBondContact N-O 2.83Å; G86-Y117 WeakPolarHBondContact O-CA 3.48Å; G86-Y117 WeakPolarHBondContact O-CD2 3.44Å; G86-I118 PolarHBondContact O-N 3.37Å; G86-I118 VanDerWaalsContact O-N 3.13Å
87K98.9Very high98.9Very high4 Ų430.9 Ų30.92%0.01715%0.146CC..EExtended strand (participates in β ladder)trans-134.3143.8-172.4-42.7-169.8179.475.50113.3D53 G54 A55 Y58 Y117 I118 E120D53-K87 IonicContact OD1-NZ 3.88Å; D53-K87 PolarHBondContact OD1-NZ 2.92Å; D53-K87 WeakPolarHBondContact OD2-CE 3.33Å; D53-K87 IonicContact OD2-NZ 2.71Å; D53-K87 PolarHBondContact OD2-NZ 3.15Å; G54-K87 WeakPolarHBondContact O-CG 3.49Å; G54-K87 PolarHBondContact O-NZ 2.95Å; A55-K87 HydrophobicContact CB-CB 4.02Å; A55-K87 HydrophobicContact CB-CD 4.1Å; A55-K87 HydrophobicContact CB-CG 3.96Å; Y58-K87 PolarHBondContact OH-NZ 3.41Å; K87-Y117 PolarHBondContact O-OH 3.07Å; K87-I118 CarbonylContact C-O 3.58Å; K87-I118 WeakPolarHBondContact CA-O 3.49Å; K87-I118 HydrophobicContact CB-CG1 4.12Å; K87-I118 HydrophobicContact CD-CD1 3.99Å; K87-I118 HydrophobicContact CD-CG1 4.21Å; K87-I118 HydrophobicContact CG-CD1 4.01Å; K87-I118 HydrophobicContact CG-CG1 3.78Å; K87-E120 HydrophobicContact CB-CB 3.86Å; K87-E120 HydrophobicContact CB-CG 3.95Å; K87-E120 HydrophobicContact CD-CB 4.46Å; K87-E120 HydrophobicContact CD-CG 3.77Å; K87-E120 HydrophobicContact CG-CG 4.49Å
88L98.9Very high98.9Very high0 Ų030.5 Ų30.50%014%0.144CC..EExtended strand (participates in β ladder)trans-95.1112.2172.5-177.576.7000109.1N92 V98 T101 Y117 I118 E120 T150 M154L88-N92 HydrophobicContact CD1-CB 3.62Å; L88-N92 HydrophobicContact CG-CB 4.24Å; L88-V98 HydrophobicContact CD2-CG1 4.19Å; L88-V98 HydrophobicContact CD2-CG2 3.86Å; L88-T101 HydrophobicContact CD1-CG2 3.73Å; L88-Y117 HydrophobicContact CB-CE1 3.86Å; L88-Y117 HydrophobicContact CD1-CE1 4.29Å; L88-I118 PolarHBondContact N-O 2.83Å; L88-E120 WeakPolarHBondContact O-CB 3.31Å; L88-E120 PolarHBondContact O-N 3.4Å; L88-T150 HydrophobicContact CD2-CG2 3.78Å; L88-M154 HydrophobicContact CD2-SD 4.05Å
89W98.9Very high98.9Very high11 Ų1129.9 Ų29.94%0.04214%0.141CC..  trans-76159.6-177.7-177.4-119.4000113.3I57 T91 N92 H93 E120 V121 F125 V131 Y132 W314I57-W89 HydrophobicContact CD1-CD2 3.72Å; I57-W89 HydrophobicContact CD1-CE3 3.5Å; I57-W89 VanDerWaalsContact CD1-CE3 3.5Å; I57-W89 HydrophobicContact CD1-CG 4.27Å; I57-W89 HydrophobicContact CD1-CH2 4.41Å; I57-W89 HydrophobicContact CD1-CZ3 3.86Å; I57-W89 HydrophobicContact CG2-CB 3.7Å; I57-W89 HydrophobicContact CG2-CD2 4.34Å; I57-W89 HydrophobicContact CG2-CG 3.73Å; W89-T91 PolarHBondContact O-N 3.07Å; W89-T91 VanDerWaalsContact O-N 3.09Å; W89-N92 WeakPolarHBondContact O-CB 3.3Å; W89-N92 PolarHBondContact O-N 3.44Å; W89-H93 PolarHBondContact O-CD2 2.7Å; W89-H93 VanDerWaalsContact O-CD2 3.29Å; W89-E120 HydrophobicContact CE3-CB 4.06Å; W89-E120 HydrophobicContact CE3-CG 3.85Å; W89-E120 HydrophobicContact CZ3-CG 4.11Å; W89-V121 HydrophobicContact CE3-CG2 4.46Å; W89-V121 HydrophobicContact CZ3-CG1 4.22Å; W89-V121 HydrophobicContact CZ3-CG2 4.13Å; W89-F125 HydrophobicContact CZ2-CE2 4.32Å; W89-V131 PolarHBondContact NE1-O 3.12Å; W89-Y132 AromaticContact CH2-CE1 3.91Å; W89-Y132 HydrophobicContact CH2-CE1 3.91Å; W89-Y132 AromaticContact CZ2-CD1 3.93Å; W89-Y132 HydrophobicContact CZ2-CD1 3.93Å; W89-Y132 AromaticContact CZ2-CE1 3.48Å; W89-Y132 HydrophobicContact CZ2-CE1 3.48Å; W89-Y132 VanDerWaalsContact CZ2-CE1 3.48Å; W89-W314 AromaticContact CH2-CH2 3.62Å; W89-W314 HydrophobicContact CH2-CH2 3.62Å; W89-W314 HydrophobicContact CH2-CZ2 4.39Å; W89-W314 HydrophobicContact CH2-CZ3 4.12Å; W89-W314 HydrophobicContact CZ2-CH2 4.13Å; W89-W314 HydrophobicContact CZ2-CZ2 4.48Å
90A98.9Very high98.9Very high0 Ų031.3 Ų31.30%016%0.155CC..G310 helixtrans-48.2-36.3-17900000114.9N92 V121 M123 F125A90-N92 PolarHBondContact O-N 3.21Å; A90-V121 HydrophobicContact CB-CG2 3.8Å; A90-M123 WeakPolarHBondContact CA-O 3.03Å; A90-M123 WeakPolarHBondContact CB-O 3.36Å; A90-F125 HydrophobicContact CB-CB 3.93Å; A90-F125 HydrophobicContact CB-CD1 4.14Å; A90-F125 HydrophobicContact CB-CD2 3.75Å; A90-F125 HydrophobicContact CB-CE2 4.28Å; A90-F125 HydrophobicContact CB-CG 3.67Å; A90-F125 PolarHBondContact O-N 3.47Å
91T98.9Very high98.9Very high3 Ų327 Ų272%0.01814%0.135CC..G310 helixtrans-78-0.6-179.258.90000113.6W89 F125 K126 P127 P133W89-T91 PolarHBondContact O-N 3.07Å; W89-T91 VanDerWaalsContact O-N 3.09Å; T91-F125 HydrophobicContact CG2-CB 3.77Å; T91-K126 WeakPolarHBondContact CG2-O 3.26Å; T91-P127 WeakPolarHBondContact O-CA 3.42Å; T91-P133 HydrophobicContact CG2-CG 4.06Å
92N98.8Very high98.9Very high11 Ų1124.7 Ų24.76%0.05912%0.123CC..G310 helixtrans-12117.3-174.8-59.4106.6000113.2L88 W89 A90 V94 T101L88-N92 HydrophobicContact CD1-CB 3.62Å; L88-N92 HydrophobicContact CG-CB 4.24Å; W89-N92 WeakPolarHBondContact O-CB 3.3Å; W89-N92 PolarHBondContact O-N 3.44Å; A90-N92 PolarHBondContact O-N 3.21Å; N92-V94 VanDerWaalsContact C-N 3.3Å; N92-V94 PolarHBondContact O-N 2.98Å; N92-T101 HydrophobicContact CB-CG2 4Å; N92-T101 PolarHBondContact ND2-OG1 2.86Å
93H98.9Very high98.9Very high9 Ų927.2 Ų27.24%0.04214%0.135CC..  trans-75.2-12.8-178.3-73.4-170.4000115.1W89 V121 M123 A124 T150W89-H93 PolarHBondContact O-CD2 2.7Å; W89-H93 VanDerWaalsContact O-CD2 3.29Å; H93-V121 PolarHBondContact CE1-O 2.79Å; H93-V121 PolarHBondContact NE2-O 3.1Å; H93-M123 PolarHBondContact CE1-O 3.27Å; H93-A124 HydrophobicContact CB-CB 3.96Å; H93-T150 HydrophobicContact CB-CG2 4.32Å; H93-T150 PolarHBondContact O-OG1 2.93Å
94V98.9Very high98.9Very high33 Ų3330.2 Ų30.220%0.215%0.146CC..SBendtrans-59.5124.9174.5174.70000108.1N92 E96 M97 V98 P127N92-V94 VanDerWaalsContact C-N 3.3Å; N92-V94 PolarHBondContact O-N 2.98Å; V94-E96 WeakPolarHBondContact CG1-OE2 3.43Å; V94-E96 PolarHBondContact O-N 3.04Å; V94-E96 VanDerWaalsContact O-N 3.12Å; V94-M97 HydrophobicContact CB-CB 4.3Å; V94-M97 HydrophobicContact CB-CG 3.9Å; V94-M97 HydrophobicContact CB-SD 3.84Å; V94-M97 HydrophobicContact CG1-CG 4.17Å; V94-M97 HydrophobicContact CG1-SD 4.46Å; V94-M97 HydrophobicContact CG2-SD 4.16Å; V94-M97 WeakPolarHBondContact O-CA 3.3Å; V94-M97 WeakPolarHBondContact O-CB 3.41Å; V94-M97 PolarHBondContact O-N 2.7Å; V94-V98 PolarHBondContact O-N 2.8Å; V94-P127 HydrophobicContact CG2-CG 3.68Å
95P98.9Very high98.9Very high45 Ų4530.2 Ų30.229%0.29215%0.146SC..Hα-helixtrans-50.6-42.3-171.3-31.136.9000114M97 V98 A149 A153P95-M97 PolarHBondContact O-N 2.93Å; P95-V98 PolarHBondContact O-N 3.25Å; P95-A149 HydrophobicContact CG-CB 3.86Å; P95-A153 HydrophobicContact CB-CB 4.08Å; P95-A153 WeakPolarHBondContact O-CB 3.38Å
96E98.8Very high98.9Very high144 Ų14431 Ų3167%0.67315%0.15SC*.Hα-helixtrans-67.2-18.7-179.9-6073.4-159.400112.9V94 P100V94-E96 WeakPolarHBondContact CG1-OE2 3.43Å; V94-E96 PolarHBondContact O-N 3.04Å; V94-E96 VanDerWaalsContact O-N 3.12Å; E96-P100 VanDerWaalsContact O-CD 3.27Å; E96-P100 WeakPolarHBondContact O-CD 3.5Å; E96-P100 WeakPolarHBondContact O-CG 3.12Å
97M98.9Very high98.9Very high58 Ų5838.3 Ų38.329%0.28618%0.178SC..Hα-helixtrans-91.3-16.3178.6-61.9-177.472.500113.5V94 P95 P100 T101 P127V94-M97 HydrophobicContact CB-CB 4.3Å; V94-M97 HydrophobicContact CB-CG 3.9Å; V94-M97 HydrophobicContact CB-SD 3.84Å; V94-M97 HydrophobicContact CG1-CG 4.17Å; V94-M97 HydrophobicContact CG1-SD 4.46Å; V94-M97 HydrophobicContact CG2-SD 4.16Å; V94-M97 WeakPolarHBondContact O-CA 3.3Å; V94-M97 WeakPolarHBondContact O-CB 3.41Å; V94-M97 PolarHBondContact O-N 2.7Å; P95-M97 PolarHBondContact O-N 2.93Å; M97-P100 WeakPolarHBondContact O-CD 3.26Å; M97-T101 VanDerWaalsContact O-CB 3.26Å; M97-T101 WeakPolarHBondContact O-CB 3.46Å; M97-T101 PolarHBondContact O-N 2.88Å; M97-T101 PolarHBondContact O-OG1 2.83Å; M97-P127 HydrophobicContact CE-CB 4.16Å; M97-P127 HydrophobicContact SD-CB 3.82Å; M97-P127 HydrophobicContact SD-CG 4.07Å
98V98.9Very high98.9Very high0 Ų039.9 Ų39.90%019%0.188CC..Hα-helixtrans-61.6-55.3-173.3175.60000111.3L88 V94 P95 T101 L102 T150 A153 M154L88-V98 HydrophobicContact CD2-CG1 4.19Å; L88-V98 HydrophobicContact CD2-CG2 3.86Å; V94-V98 PolarHBondContact O-N 2.8Å; P95-V98 PolarHBondContact O-N 3.25Å; V98-T101 WeakPolarHBondContact O-CB 3.39Å; V98-T101 PolarHBondContact O-N 3.16Å; V98-L102 PolarHBondContact O-N 3.14Å; V98-T150 HydrophobicContact CG2-CG2 4.09Å; V98-A153 HydrophobicContact CB-CB 3.72Å; V98-A153 HydrophobicContact CG1-CB 4.14Å; V98-A153 HydrophobicContact CG2-CB 3.71Å; V98-M154 HydrophobicContact CG1-CG 3.98Å; V98-M154 HydrophobicContact CG1-SD 3.5Å; V98-M154 VanDerWaalsContact CG1-SD 3.5Å
99R98.9Very high98.9Very high124 Ų12439.9 Ų39.947%0.46819%0.188SC..Hα-helixtrans-62.4-49.7179.2173.9175.5175162.23112.7T101 L102 E103 L162R99-T101 PolarHBondContact O-N 3.21Å; R99-L102 PolarHBondContact O-N 2.88Å; R99-L102 VanDerWaalsContact O-N 3.13Å; R99-E103 HydrophobicContact CG-CG 4.19Å; R99-E103 IonicContact CZ-OE1 3.47Å; R99-E103 IonicContact NE-OE1 2.78Å; R99-E103 PolarHBondContact NE-OE1 3.4Å; R99-E103 IonicContact NH2-OE1 3.25Å; R99-E103 PolarHBondContact NH2-OE1 3.02Å; R99-E103 WeakPolarHBondContact O-CG 3.35Å; R99-E103 PolarHBondContact O-N 3.13Å; R99-L162 HydrophobicContact CG-CD1 4.08Å
100P98.9Very high98.9Very high64 Ų6445.3 Ų45.342%0.41621%0.214SC..Hα-helixtrans-55.6-33.2174.9-2935.6000114E96 M97 R104E96-P100 VanDerWaalsContact O-CD 3.27Å; E96-P100 WeakPolarHBondContact O-CD 3.5Å; E96-P100 WeakPolarHBondContact O-CG 3.12Å; M97-P100 WeakPolarHBondContact O-CD 3.26Å; P100-R104 PolarHBondContact O-N 2.82Å
101T98.9Very high98.9Very high9 Ų946.3 Ų46.36%0.05522%0.219CC..Hα-helixtrans-70.4-44.2177-57.30000111.7L88 N92 M97 V98 R99 R104 T105L88-T101 HydrophobicContact CD1-CG2 3.73Å; N92-T101 HydrophobicContact CB-CG2 4Å; N92-T101 PolarHBondContact ND2-OG1 2.86Å; M97-T101 VanDerWaalsContact O-CB 3.26Å; M97-T101 WeakPolarHBondContact O-CB 3.46Å; M97-T101 PolarHBondContact O-N 2.88Å; M97-T101 PolarHBondContact O-OG1 2.83Å; V98-T101 WeakPolarHBondContact O-CB 3.39Å; V98-T101 PolarHBondContact O-N 3.16Å; R99-T101 PolarHBondContact O-N 3.21Å; T101-R104 WeakPolarHBondContact O-CB 3.41Å; T101-R104 PolarHBondContact O-N 3.28Å; T101-T105 PolarHBondContact O-N 2.92Å
102L98.9Very high98.9Very high0 Ų053.1 Ų53.10%026%0.255CS..Hα-helixtrans-62.2-45.8172.6175.457.5000111.5V98 R99 R104 T105 L106 V114 Y117 C157 L162 V163V98-L102 PolarHBondContact O-N 3.14Å; R99-L102 PolarHBondContact O-N 2.88Å; R99-L102 VanDerWaalsContact O-N 3.13Å; L102-R104 PolarHBondContact O-N 3.2Å; L102-T105 WeakPolarHBondContact O-CA 3.45Å; L102-T105 WeakPolarHBondContact O-CB 3.38Å; L102-T105 PolarHBondContact O-N 2.96Å; L102-L106 HydrophobicContact CD1-CG 4.3Å; L102-L106 HydrophobicContact CG-CD1 4.34Å; L102-L106 HydrophobicContact CG-CG 4.44Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 3.03Å; L102-V114 HydrophobicContact CD1-CG1 4.35Å; L102-V114 HydrophobicContact CD1-CG2 3.79Å; L102-Y117 HydrophobicContact CB-CD1 4.36Å; L102-Y117 HydrophobicContact CB-CE1 3.87Å; L102-Y117 HydrophobicContact CD1-CD1 4.11Å; L102-Y117 HydrophobicContact CD1-CD2 3.77Å; L102-Y117 HydrophobicContact CD1-CE1 4.18Å; L102-Y117 HydrophobicContact CD1-CE2 3.84Å; L102-Y117 HydrophobicContact CD1-CG 3.93Å; L102-Y117 HydrophobicContact CD2-CD1 4.32Å; L102-Y117 HydrophobicContact CG-CD1 4.5Å; L102-Y117 HydrophobicContact CG-CE1 4.44Å; L102-C157 HydrophobicContact CD2-CB 3.7Å; L102-L162 HydrophobicContact CD2-CB 3.61Å; L102-L162 HydrophobicContact CD2-CD1 4.36Å; L102-L162 HydrophobicContact CG-CB 4.39Å; L102-V163 HydrophobicContact CD2-CB 4.28Å; L102-V163 HydrophobicContact CD2-CG1 4.16Å
103E98.9Very high98.9Very high53 Ų5354.3 Ų54.325%0.24826%0.259CS..Hα-helixtrans-61-31.1177.8-70.5176.1168.700112.1R99 L106 R107 L162R99-E103 HydrophobicContact CG-CG 4.19Å; R99-E103 IonicContact CZ-OE1 3.47Å; R99-E103 IonicContact NE-OE1 2.78Å; R99-E103 PolarHBondContact NE-OE1 3.4Å; R99-E103 IonicContact NH2-OE1 3.25Å; R99-E103 PolarHBondContact NH2-OE1 3.02Å; R99-E103 WeakPolarHBondContact O-CG 3.35Å; R99-E103 PolarHBondContact O-N 3.13Å; E103-L106 PolarHBondContact O-N 3.41Å; E103-R107 WeakPolarHBondContact O-CG 3.4Å; E103-R107 PolarHBondContact O-N 3.13Å; E103-R107 PolarHBondContact O-NH1 3.11Å; E103-L162 HydrophobicContact CG-CD1 4.11Å
104R98.9Very high98.9Very high66 Ų6653.9 Ų53.925%0.24926%0.257CS..Hα-helixtrans-63.7-48170.5179.4177.165-171.1-1.3111.3Y56 P100 T101 L102 L106 R107 V108Y56-R104 HydrophobicContact CD2-CG 4.36Å; Y56-R104 VanDerWaalsContact CE1-CZ 3.48Å; Y56-R104 HydrophobicContact CE2-CG 3.84Å; P100-R104 PolarHBondContact O-N 2.82Å; T101-R104 WeakPolarHBondContact O-CB 3.41Å; T101-R104 PolarHBondContact O-N 3.28Å; L102-R104 PolarHBondContact O-N 3.2Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 2.85Å; R104-R107 PolarHBondContact O-N 3.15Å; R104-V108 VanDerWaalsContact O-CG2 3.27Å; R104-V108 WeakPolarHBondContact O-CG2 3.48Å; R104-V108 PolarHBondContact O-N 3.35Å
105T98.9Very high98.9Very high0 Ų053 Ų530%025%0.251CS..Hα-helixtrans-57.5-43.9174.2-78.60000111.8E61 Y84 T101 L102 R107 V108 L109 V114E61-T105 PolarHBondContact OE1-OG1 3.01Å; E61-T105 VanDerWaalsContact OE2-CA 3.32Å; E61-T105 WeakPolarHBondContact OE2-CA 3.22Å; E61-T105 VanDerWaalsContact OE2-CB 3.29Å; E61-T105 WeakPolarHBondContact OE2-CB 3.25Å; E61-T105 WeakPolarHBondContact OE2-CG2 3.48Å; E61-T105 PolarHBondContact OE2-OG1 2.73Å; Y84-T105 HydrophobicContact CE1-CG2 4.43Å; T101-T105 PolarHBondContact O-N 2.92Å; L102-T105 WeakPolarHBondContact O-CA 3.45Å; L102-T105 WeakPolarHBondContact O-CB 3.38Å; L102-T105 PolarHBondContact O-N 2.96Å; T105-R107 PolarHBondContact O-N 3.46Å; T105-V108 WeakPolarHBondContact O-CB 3.43Å; T105-V108 PolarHBondContact O-N 3.08Å; T105-L109 HydrophobicContact CG2-CD1 3.58Å; T105-L109 HydrophobicContact CG2-CG 4.32Å; T105-L109 WeakPolarHBondContact O-CB 3.48Å; T105-L109 VanDerWaalsContact O-CG 3.3Å; T105-L109 WeakPolarHBondContact O-CG 3.39Å; T105-L109 PolarHBondContact O-N 3.39Å; T105-V114 HydrophobicContact CG2-CG1 4.16Å
106L98.9Very high98.9Very high16 Ų1650.9 Ų50.98%0.08424%0.237CC..Hα-helixtrans-61.5-43177.1-65.8178.3000112.5L102 E103 R104 V108 L109 Q110 L111 V114 L162L102-L106 HydrophobicContact CD1-CG 4.3Å; L102-L106 HydrophobicContact CG-CD1 4.34Å; L102-L106 HydrophobicContact CG-CG 4.44Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 3.03Å; E103-L106 PolarHBondContact O-N 3.41Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 2.85Å; L106-V108 VanDerWaalsContact C-N 3.35Å; L106-V108 PolarHBondContact O-N 2.65Å; L106-L109 PolarHBondContact O-N 2.91Å; L106-Q110 WeakPolarHBondContact O-CA 3.27Å; L106-Q110 PolarHBondContact O-N 3.19Å; L106-L111 WeakPolarHBondContact CB-O 3.47Å; L106-L111 WeakPolarHBondContact CD2-O 3.48Å; L106-L111 PolarHBondContact O-N 3.08Å; L106-V114 HydrophobicContact CD2-CG1 3.78Å; L106-L162 HydrophobicContact CD1-CB 4.09Å; L106-L162 HydrophobicContact CD1-CD2 3.91Å; L106-L162 HydrophobicContact CD1-CG 4.46Å
107R98.9Very high98.9Very high154 Ų15444 Ų4458%0.58121%0.205SC*.Hα-helixtrans-61.4-41.9173.4-75.1-174.6-65.9-86.82.1112.4E103 R104 T105 Q110E103-R107 WeakPolarHBondContact O-CG 3.4Å; E103-R107 PolarHBondContact O-N 3.13Å; E103-R107 PolarHBondContact O-NH1 3.11Å; R104-R107 PolarHBondContact O-N 3.15Å; T105-R107 PolarHBondContact O-N 3.46Å; R107-Q110 WeakPolarHBondContact O-CG 3.08Å; R107-Q110 PolarHBondContact O-N 3.27Å
108V98.9Very high98.9Very high38 Ų3841.2 Ų41.223%0.2319%0.191CC..Hα-helixtrans-65.1-44.3179.1166.90000111.3Y56 E61 H62 R104 T105 L106 Q110Y56-V108 HydrophobicContact CD2-CG2 4.25Å; Y56-V108 HydrophobicContact CE2-CG2 3.93Å; E61-V108 HydrophobicContact CB-CG1 3.86Å; E61-V108 HydrophobicContact CG-CG1 3.99Å; H62-V108 HydrophobicContact CB-CG1 3.88Å; H62-V108 VanDerWaalsContact N-CG1 3.3Å; R104-V108 VanDerWaalsContact O-CG2 3.27Å; R104-V108 WeakPolarHBondContact O-CG2 3.48Å; R104-V108 PolarHBondContact O-N 3.35Å; T105-V108 WeakPolarHBondContact O-CB 3.43Å; T105-V108 PolarHBondContact O-N 3.08Å; L106-V108 VanDerWaalsContact C-N 3.35Å; L106-V108 PolarHBondContact O-N 2.65Å; V108-Q110 VanDerWaalsContact C-N 3.28Å
109L98.9Very high98.9Very high0 Ų041.2 Ų41.20%019%0.191CC..Hα-helixtrans-70.8-28.3176.7-67.8166.5000112.2E61 V64 G65 R69 Y84 T105 L106 L111 V114E61-L109 HydrophobicContact CG-CD2 3.82Å; E61-L109 HydrophobicContact CG-CG 4.04Å; E61-L109 WeakPolarHBondContact O-CD2 3.46Å; V64-L109 HydrophobicContact CB-CD2 4.4Å; V64-L109 HydrophobicContact CG1-CD2 4.42Å; G65-L109 WeakPolarHBondContact CA-O 3.26Å; R69-L109 PolarHBondContact NE-O 3.02Å; Y84-L109 HydrophobicContact CD1-CD1 3.75Å; Y84-L109 HydrophobicContact CE1-CD1 3.42Å; Y84-L109 VanDerWaalsContact CE1-CD1 3.42Å; Y84-L109 HydrophobicContact CE1-CD2 4.29Å; Y84-L109 HydrophobicContact CE1-CG 4.46Å; Y84-L109 HydrophobicContact CE2-CD2 4.29Å; T105-L109 HydrophobicContact CG2-CD1 3.58Å; T105-L109 HydrophobicContact CG2-CG 4.32Å; T105-L109 WeakPolarHBondContact O-CB 3.48Å; T105-L109 VanDerWaalsContact O-CG 3.3Å; T105-L109 WeakPolarHBondContact O-CG 3.39Å; T105-L109 PolarHBondContact O-N 3.39Å; L106-L109 PolarHBondContact O-N 2.91Å; L109-L111 VanDerWaalsContact C-N 3.34Å; L109-L111 HydrophobicContact CB-CB 4.14Å; L109-L111 HydrophobicContact CB-CD1 4.08Å; L109-L111 HydrophobicContact CB-CG 3.96Å; L109-V114 HydrophobicContact CD1-CG1 3.9Å
110Q98.9Very high98.9Very high125 Ų12535.9 Ų35.958%0.58417%0.172SC*.THydrogen-bonded Turntrans56.547.9-164.4-51.4172.422.500111R69 L106 R107 V108R69-Q110 WeakPolarHBondContact CD-O 3.44Å; L106-Q110 WeakPolarHBondContact O-CA 3.27Å; L106-Q110 PolarHBondContact O-N 3.19Å; R107-Q110 WeakPolarHBondContact O-CG 3.08Å; R107-Q110 PolarHBondContact O-N 3.27Å; V108-Q110 VanDerWaalsContact C-N 3.28Å
111L98.9Very high98.9Very high20 Ų2033 Ų3311%0.10515%0.153CC..  trans-126.3151.7176.3-63.9178000109.4I68 R69 L106 L109I68-L111 HydrophobicContact CG2-CD1 4.33Å; R69-L111 HydrophobicContact CG-CD2 4.12Å; L106-L111 WeakPolarHBondContact CB-O 3.47Å; L106-L111 WeakPolarHBondContact CD2-O 3.48Å; L106-L111 PolarHBondContact O-N 3.08Å; L109-L111 VanDerWaalsContact C-N 3.34Å; L109-L111 HydrophobicContact CB-CB 4.14Å; L109-L111 HydrophobicContact CB-CD1 4.08Å; L109-L111 HydrophobicContact CB-CG 3.96Å
112D98.9Very high98.9Very high146 Ų14632.6 Ų32.678%0.78115%0.151SC*.SBendtrans-78.2-25.1-176.6-55.1-48.6000113.4
113Y98.9Very high98.9Very high37 Ų3732.6 Ų32.615%0.14515%0.151CC..  trans-152.1159.9179.671.8-89.5000112.1R79 D115 L162 K164R79-Y113 HydrophobicContact CG-CE1 4.04Å; R79-Y113 VanDerWaalsContact NH2-CE2 3.27Å; R79-Y113 PolarHBondContact NH2-O 3.39Å; Y113-D115 WeakPolarHBondContact CE2-OD1 3.29Å; Y113-L162 VanDerWaalsContact CA-O 3.26Å; Y113-L162 WeakPolarHBondContact CA-O 3.39Å; Y113-L162 WeakPolarHBondContact CB-O 3.35Å; Y113-K164 HydrophobicContact CD2-CD 4.15Å; Y113-K164 HydrophobicContact CD2-CG 3.63Å; Y113-K164 HydrophobicContact CE2-CD 4.22Å; Y113-K164 VanDerWaalsContact CE2-CE 3.47Å; Y113-K164 HydrophobicContact CE2-CG 3.66Å
114V98.9Very high98.9Very high0 Ų030.1 Ų30.10%014%0.139CC..EExtended strand (participates in β ladder)trans-105.5148.2165.5-580000110.9Y84 L102 T105 L106 L109 Y117 L162 V163 K164Y84-V114 HydrophobicContact CD1-CB 3.97Å; Y84-V114 HydrophobicContact CD1-CG1 3.62Å; Y84-V114 HydrophobicContact CE1-CG1 3.86Å; L102-V114 HydrophobicContact CD1-CG1 4.35Å; L102-V114 HydrophobicContact CD1-CG2 3.79Å; T105-V114 HydrophobicContact CG2-CG1 4.16Å; L106-V114 HydrophobicContact CD2-CG1 3.78Å; L109-V114 HydrophobicContact CD1-CG1 3.9Å; V114-Y117 HydrophobicContact CG2-CD2 4.15Å; V114-Y117 HydrophobicContact CG2-CG 4.33Å; V114-L162 PolarHBondContact N-O 3.18Å; V114-L162 VanDerWaalsContact N-O 3.1Å; V114-V163 HydrophobicContact CG2-CB 3.87Å; V114-V163 HydrophobicContact CG2-CG2 3.85Å; V114-V163 VanDerWaalsContact O-CA 3.25Å; V114-V163 WeakPolarHBondContact O-CA 3.14Å; V114-K164 PolarHBondContact O-N 3.45Å
115D98.9Very high98.9Very high13 Ų1327.1 Ų27.17%0.0713%0.128CC..EExtended strand (participates in β ladder)trans-76.8-34-176.2-58.5-91.3000111.6R79 F83 Y84 Y113 K164 S165R79-D115 IonicContact CZ-OD2 2.7Å; R79-D115 VanDerWaalsContact CZ-OD2 3.28Å; R79-D115 IonicContact NH1-OD1 2.75Å; R79-D115 PolarHBondContact NH1-OD1 2.8Å; R79-D115 IonicContact NH1-OD2 3.03Å; R79-D115 PolarHBondContact NH1-OD2 2.86Å; R79-D115 IonicContact NH2-OD1 3.28Å; R79-D115 IonicContact NH2-OD2 2.75Å; R79-D115 PolarHBondContact NH2-OD2 2.83Å; F83-D115 WeakPolarHBondContact CA-OD2 3.17Å; F83-D115 HydrophobicContact CB-CB 4.34Å; F83-D115 HydrophobicContact CD1-CB 4.08Å; F83-D115 HydrophobicContact CD2-CB 3.54Å; F83-D115 HydrophobicContact CE1-CB 4.31Å; F83-D115 HydrophobicContact CE2-CB 3.79Å; F83-D115 HydrophobicContact CG-CB 3.71Å; F83-D115 HydrophobicContact CZ-CB 4.19Å; Y84-D115 PolarHBondContact N-OD2 3.45Å; Y84-D115 PolarHBondContact O-N 2.79Å; Y113-D115 WeakPolarHBondContact CE2-OD1 3.29Å; D115-K164 WeakPolarHBondContact O-CB 3.23Å; D115-S165 WeakPolarHBondContact O-CB 3.27Å; D115-S165 PolarHBondContact O-N 3.31Å; D115-S165 PolarHBondContact O-OG 3Å
116L99Very high98.9Very high1 Ų132.1 Ų32.11%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-137.8134.8173.9176.268.1000109.9F83 Y84 C85 G86 I118 S165 V190 I217F83-L116 HydrophobicContact CE1-CB 3.61Å; F83-L116 HydrophobicContact CE1-CD2 4.16Å; F83-L116 HydrophobicContact CZ-CB 3.52Å; F83-L116 HydrophobicContact CZ-CD2 4.23Å; F83-L116 HydrophobicContact CZ-CG 4.44Å; Y84-L116 PolarHBondContact O-N 3.29Å; Y84-L116 VanDerWaalsContact O-N 3.11Å; C85-L116 WeakPolarHBondContact CA-O 3.32Å; C85-L116 HydrophobicContact CB-CB 4.25Å; C85-L116 HydrophobicContact CB-CD2 4.18Å; G86-L116 PolarHBondContact N-O 2.83Å; L116-I118 HydrophobicContact CD1-CG2 3.79Å; L116-I118 HydrophobicContact CD2-CG2 3.87Å; L116-I118 HydrophobicContact CG-CG2 3.65Å; L116-S165 WeakPolarHBondContact CA-O 3.43Å; L116-V190 HydrophobicContact CD1-CG2 4.22Å; L116-I217 HydrophobicContact CD2-CD1 3.79Å
117Y99Very high98.9Very high0 Ų033.1 Ų33.10%016%0.157CC..EExtended strand (participates in β ladder)trans-126.6127.7169.4-157.5-124.6000109.4G86 K87 L88 L102 V114 M154 S165 G167G86-Y117 WeakPolarHBondContact O-CA 3.48Å; G86-Y117 WeakPolarHBondContact O-CD2 3.44Å; K87-Y117 PolarHBondContact O-OH 3.07Å; L88-Y117 HydrophobicContact CB-CE1 3.86Å; L88-Y117 HydrophobicContact CD1-CE1 4.29Å; L102-Y117 HydrophobicContact CB-CD1 4.36Å; L102-Y117 HydrophobicContact CB-CE1 3.87Å; L102-Y117 HydrophobicContact CD1-CD1 4.11Å; L102-Y117 HydrophobicContact CD1-CD2 3.77Å; L102-Y117 HydrophobicContact CD1-CE1 4.18Å; L102-Y117 HydrophobicContact CD1-CE2 3.84Å; L102-Y117 HydrophobicContact CD1-CG 3.93Å; L102-Y117 HydrophobicContact CD2-CD1 4.32Å; L102-Y117 HydrophobicContact CG-CD1 4.5Å; L102-Y117 HydrophobicContact CG-CE1 4.44Å; V114-Y117 HydrophobicContact CG2-CD2 4.15Å; V114-Y117 HydrophobicContact CG2-CG 4.33Å; Y117-M154 HydrophobicContact CD1-CE 3.45Å; Y117-M154 VanDerWaalsContact CD1-CE 3.45Å; Y117-M154 HydrophobicContact CD1-SD 3.66Å; Y117-M154 HydrophobicContact CE1-CE 4.19Å; Y117-M154 HydrophobicContact CE1-SD 3.95Å; Y117-M154 HydrophobicContact CG-CE 4.12Å; Y117-M154 WeakPolarHBondContact O-CE 3.43Å; Y117-S165 PolarHBondContact N-O 3.13Å; Y117-S165 VanDerWaalsContact N-O 3.13Å; Y117-G167 PolarHBondContact O-N 2.86Å; Y117-G167 VanDerWaalsContact O-N 3.17Å
118I99Very high98.8Very high0 Ų027.7 Ų27.70%015%0.149CC..EExtended strand (participates in β ladder)trans-124.9148-173.969.5-173.1000112.7G86 K87 L88 L116 E120 G167 Q193G86-I118 PolarHBondContact O-N 3.37Å; G86-I118 VanDerWaalsContact O-N 3.13Å; K87-I118 CarbonylContact C-O 3.58Å; K87-I118 WeakPolarHBondContact CA-O 3.49Å; K87-I118 HydrophobicContact CB-CG1 4.12Å; K87-I118 HydrophobicContact CD-CD1 3.99Å; K87-I118 HydrophobicContact CD-CG1 4.21Å; K87-I118 HydrophobicContact CG-CD1 4.01Å; K87-I118 HydrophobicContact CG-CG1 3.78Å; L88-I118 PolarHBondContact N-O 2.83Å; L116-I118 HydrophobicContact CD1-CG2 3.79Å; L116-I118 HydrophobicContact CD2-CG2 3.87Å; L116-I118 HydrophobicContact CG-CG2 3.65Å; I118-E120 PolarHBondContact O-N 3.31Å; I118-G167 WeakPolarHBondContact CA-O 3.37Å; I118-G167 WeakPolarHBondContact CB-O 3.29Å; I118-G167 VanDerWaalsContact CG2-C 3.5Å; I118-Q193 HydrophobicContact CD1-CB 4Å
119I99Very high98.7Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-68.8118164.1-58.6178.4000107.7V121 T150 W151 M154 G167 V168 S169 F171I119-V121 VanDerWaalsContact CG2-O 3.24Å; I119-V121 WeakPolarHBondContact CG2-O 3.46Å; I119-T150 HydrophobicContact CD1-CG2 3.85Å; I119-T150 HydrophobicContact CG1-CG2 4.31Å; I119-W151 HydrophobicContact CD1-CE3 3.94Å; I119-W151 HydrophobicContact CD1-CZ3 4.49Å; I119-M154 HydrophobicContact CG1-CE 4.26Å; I119-M154 HydrophobicContact CG1-CG 4.28Å; I119-G167 PolarHBondContact N-O 2.87Å; I119-V168 HydrophobicContact CB-CG1 4.46Å; I119-V168 CarbonylContact O-C 3.55Å; I119-S169 WeakPolarHBondContact O-CB 3.41Å; I119-S169 PolarHBondContact O-N 3.06Å; I119-F171 HydrophobicContact CB-CE2 4.15Å; I119-F171 HydrophobicContact CB-CZ 4.19Å; I119-F171 HydrophobicContact CD1-CZ 4.27Å; I119-F171 HydrophobicContact CG2-CE2 3.88Å; I119-F171 HydrophobicContact CG2-CZ 3.97Å
120E98.9Very high98.7Very high12 Ų1239 Ų396%0.05620%0.204CC..SBendtrans-70.4-36.2-166.9-167.4157-165.900113.7Y58 K87 L88 W89 I118 S169 N170Y58-E120 PolarHBondContact OH-OE1 3.37Å; K87-E120 HydrophobicContact CB-CB 3.86Å; K87-E120 HydrophobicContact CB-CG 3.95Å; K87-E120 HydrophobicContact CD-CB 4.46Å; K87-E120 HydrophobicContact CD-CG 3.77Å; K87-E120 HydrophobicContact CG-CG 4.49Å; L88-E120 WeakPolarHBondContact O-CB 3.31Å; L88-E120 PolarHBondContact O-N 3.4Å; W89-E120 HydrophobicContact CE3-CB 4.06Å; W89-E120 HydrophobicContact CE3-CG 3.85Å; W89-E120 HydrophobicContact CZ3-CG 4.11Å; I118-E120 PolarHBondContact O-N 3.31Å; E120-S169 CarbonylContact C-O 3.56Å; E120-S169 CarbonylContact O-C 3.5Å; E120-S169 WeakPolarHBondContact O-CB 3.41Å; E120-S169 PolarHBondContact O-OG 2.91Å; E120-N170 PolarHBondContact O-ND2 3Å
121V98.9Very high98.6Very high4 Ų434.8 Ų34.82%0.02419%0.187CC..  trans-145.3153.8173.7-70.30000108.9W89 A90 H93 I119 M123 S169 N170W89-V121 HydrophobicContact CE3-CG2 4.46Å; W89-V121 HydrophobicContact CZ3-CG1 4.22Å; W89-V121 HydrophobicContact CZ3-CG2 4.13Å; A90-V121 HydrophobicContact CB-CG2 3.8Å; H93-V121 PolarHBondContact CE1-O 2.79Å; H93-V121 PolarHBondContact NE2-O 3.1Å; I119-V121 VanDerWaalsContact CG2-O 3.24Å; I119-V121 WeakPolarHBondContact CG2-O 3.46Å; V121-M123 HydrophobicContact CB-CE 4.03Å; V121-M123 HydrophobicContact CG1-CE 4.21Å; V121-M123 HydrophobicContact CG2-CB 4.38Å; V121-M123 HydrophobicContact CG2-CE 4.47Å; V121-M123 PolarHBondContact O-N 3.31Å; V121-S169 WeakPolarHBondContact CA-O 3.33Å; V121-N170 HydrophobicContact CG1-CB 4.39Å
122P98.9Very high98.6Very high0 Ų038.4 Ų38.40%020%0.2CC..SBendtrans-75.5-4.3176.629.9-35.7000113.7L147 N170 F171 Q175 E319 P321P122-L147 HydrophobicContact CB-CD1 4.26Å; P122-L147 HydrophobicContact CB-CD2 4.25Å; P122-L147 WeakPolarHBondContact O-CD2 3.43Å; P122-N170 WeakPolarHBondContact CD-O 3.45Å; P122-F171 HydrophobicContact CB-CD2 3.86Å; P122-F171 HydrophobicContact CB-CE1 4.49Å; P122-F171 HydrophobicContact CB-CE2 3.63Å; P122-F171 HydrophobicContact CB-CG 4.44Å; P122-F171 HydrophobicContact CB-CZ 3.97Å; P122-F171 HydrophobicContact CG-CD2 4.2Å; P122-F171 HydrophobicContact CG-CE2 4.34Å; P122-Q175 HydrophobicContact CB-CG 4.42Å; P122-E319 HydrophobicContact CB-CB 4.38Å; P122-E319 WeakPolarHBondContact CG-O 3.35Å; P122-E319 WeakPolarHBondContact O-CB 3.42Å; P122-P321 HydrophobicContact CG-CB 3.98Å; P122-P321 HydrophobicContact CG-CG 4.07Å
123M98.9Very high98.6Very high0 Ų031.9 Ų31.90%017%0.166CC..  trans-90.9124.8-174.8-60.3174.1-78.200110.5A90 H93 V121 F125 L311 W314 H317 E319 Y320A90-M123 WeakPolarHBondContact CA-O 3.03Å; A90-M123 WeakPolarHBondContact CB-O 3.36Å; H93-M123 PolarHBondContact CE1-O 3.27Å; V121-M123 HydrophobicContact CB-CE 4.03Å; V121-M123 HydrophobicContact CG1-CE 4.21Å; V121-M123 HydrophobicContact CG2-CB 4.38Å; V121-M123 HydrophobicContact CG2-CE 4.47Å; V121-M123 PolarHBondContact O-N 3.31Å; M123-F125 HydrophobicContact CB-CE1 4.04Å; M123-L311 HydrophobicContact CE-CD1 4.3Å; M123-W314 HydrophobicContact CE-CB 4.38Å; M123-W314 HydrophobicContact CE-CD2 4.44Å; M123-W314 HydrophobicContact CE-CE3 3.62Å; M123-W314 HydrophobicContact CE-CZ3 4.33Å; M123-W314 HydrophobicContact SD-CB 3.77Å; M123-W314 HydrophobicContact SD-CE3 4.46Å; M123-H317 VanDerWaalsContact CA-CE1 3.44Å; M123-H317 WeakPolarHBondContact CA-CE1 3.22Å; M123-H317 HydrophobicContact CG-CB 4.17Å; M123-H317 WeakPolarHBondContact CG-ND1 3.48Å; M123-H317 HydrophobicContact SD-CB 3.9Å; M123-E319 HydrophobicContact CG-CB 4.32Å; M123-E319 WeakPolarHBondContact CG-O 3.39Å; M123-Y320 HydrophobicContact SD-CD2 4.3Å
124A98.9Very high98.6Very high1 Ų137 Ų371%0.00819%0.185CC..  trans-92.2127.7175.700000110.9H93 H143 S145 H317H93-A124 HydrophobicContact CB-CB 3.96Å; A124-H143 HydrophobicContact CB-CB 4.15Å; A124-H143 PolarHBondContact O-N 2.82Å; A124-H143 VanDerWaalsContact O-O 3.07Å; A124-S145 VanDerWaalsContact CB-OG 3.31Å; A124-S145 WeakPolarHBondContact CB-OG 3.23Å; A124-S145 PolarHBondContact N-OG 3.26Å; A124-H317 PolarHBondContact N-NE2 3.38Å; A124-H317 PolarHBondContact O-NE2 2.6Å; A124-H317 VanDerWaalsContact O-NE2 3.16Å
125F98.9Very high98.5Very high3 Ų339.6 Ų39.61%0.01320%0.199CC..BIsolated β-bridgetrans-106.8162.4176.4-70.7-0.5000110.9W89 A90 T91 M123 P127 P133 Y142 H143 W314 H317W89-F125 HydrophobicContact CZ2-CE2 4.32Å; A90-F125 HydrophobicContact CB-CB 3.93Å; A90-F125 HydrophobicContact CB-CD1 4.14Å; A90-F125 HydrophobicContact CB-CD2 3.75Å; A90-F125 HydrophobicContact CB-CE2 4.28Å; A90-F125 HydrophobicContact CB-CG 3.67Å; A90-F125 PolarHBondContact O-N 3.47Å; T91-F125 HydrophobicContact CG2-CB 3.77Å; M123-F125 HydrophobicContact CB-CE1 4.04Å; F125-P127 WeakPolarHBondContact O-CD 3.36Å; F125-P133 HydrophobicContact CB-CG 3.98Å; F125-P133 HydrophobicContact CD2-CG 4.31Å; F125-P133 HydrophobicContact CG-CG 4.49Å; F125-Y142 AromaticContact CD1-CD1 3.6Å; F125-Y142 HydrophobicContact CD1-CD1 3.6Å; F125-Y142 HydrophobicContact CD1-CE1 4.07Å; F125-Y142 AromaticContact CE1-CD1 3.53Å; F125-Y142 HydrophobicContact CE1-CD1 3.53Å; F125-Y142 AromaticContact CE1-CE1 3.51Å; F125-Y142 HydrophobicContact CE1-CE1 3.51Å; F125-Y142 HydrophobicContact CZ-CD1 4.4Å; F125-Y142 HydrophobicContact CZ-CE1 4.05Å; F125-H143 WeakPolarHBondContact O-CB 3.38Å; F125-W314 HydrophobicContact CE2-CD2 4.31Å; F125-W314 AromaticContact CE2-CE2 3.76Å; F125-W314 AromaticContact CE2-CZ2 3.99Å; F125-W314 HydrophobicContact CE2-CZ2 3.99Å; F125-W314 AromaticContact CE2-NE1 3.79Å; F125-W314 AromaticContact CZ-CD1 3.65Å; F125-W314 AromaticContact CZ-CD2 3.67Å; F125-W314 HydrophobicContact CZ-CD2 3.67Å; F125-W314 AromaticContact CZ-CE2 3.57Å; F125-W314 HydrophobicContact CZ-CE3 4.34Å; F125-W314 AromaticContact CZ-CG 3.76Å; F125-W314 HydrophobicContact CZ-CG 3.76Å; F125-W314 HydrophobicContact CZ-CZ2 4.2Å; F125-W314 AromaticContact CZ-NE1 3.54Å; F125-H317 AromaticContact CE1-CD2 3.92Å
126K98.8Very high98.4Very high105 Ų10547.9 Ų47.946%0.45724%0.237SC..  trans-55126.8176.7-178.4-169.2168-67.50109.6T91 P133 L141T91-K126 WeakPolarHBondContact CG2-O 3.26Å; K126-P133 HydrophobicContact CB-CG 4.5Å; K126-L141 HydrophobicContact CB-CB 3.81Å; K126-L141 WeakPolarHBondContact CB-O 3.25Å; K126-L141 HydrophobicContact CD-CB 4.16Å; K126-L141 HydrophobicContact CD-CD1 3.92Å; K126-L141 PolarHBondContact N-O 3.05Å
127P98.8Very high98.4Very high37 Ų3754 Ų5424%0.2427%0.27CS..  trans-56.5141.6173.1-27.636000113.4T91 V94 M97 F125T91-P127 WeakPolarHBondContact O-CA 3.42Å; V94-P127 HydrophobicContact CG2-CG 3.68Å; M97-P127 HydrophobicContact CE-CB 4.16Å; M97-P127 HydrophobicContact SD-CB 3.82Å; M97-P127 HydrophobicContact SD-CG 4.07Å; F125-P127 WeakPolarHBondContact O-CD 3.36Å
128G97.7Very high98.3Very high39 Ų3955.8 Ų55.840%0.40229%0.288SS..SBendtrans160177.3179.200000112.6
129D96.6Very high98.2Very high164 Ų16462.6 Ų62.688%0.87732%0.318SS*.SBendtrans-75.6-28.8-179.9-64.8-25.7000113V131D129-V131 PolarHBondContact O-N 3.35Å
130E98Very high98.2Very high112 Ų11264.9 Ų64.952%0.52333%0.326SS..  trans-72.1118.7174.2176.754.6-104.100109.7Y132 P133E130-Y132 VanDerWaalsContact C-N 3.31Å; E130-Y132 PolarHBondContact OE1-N 3.27Å; E130-P133 HydrophobicContact CG-CB 4.44Å
131V97.7Very high98.2Very high37 Ų3767 Ų6722%0.22434%0.338CS..SBendtrans-73-26.8-178.4-61.80000111.8I57 W89 D129 P133I57-V131 HydrophobicContact CB-CG1 4.41Å; I57-V131 HydrophobicContact CG2-CB 4.5Å; I57-V131 HydrophobicContact CG2-CG1 3.83Å; W89-V131 PolarHBondContact NE1-O 3.12Å; D129-V131 PolarHBondContact O-N 3.35Å; V131-P133 VanDerWaalsContact O-CD 3.22Å; V131-P133 WeakPolarHBondContact O-CD 3.39Å
132Y98.1Very high98.2Very high95 Ų9569.5 Ų69.537%0.37335%0.347SS..SBendtrans-117.764.2179-63.3-52.8000110.9W89 E130 R134 W314W89-Y132 AromaticContact CH2-CE1 3.91Å; W89-Y132 HydrophobicContact CH2-CE1 3.91Å; W89-Y132 AromaticContact CZ2-CD1 3.93Å; W89-Y132 HydrophobicContact CZ2-CD1 3.93Å; W89-Y132 AromaticContact CZ2-CE1 3.48Å; W89-Y132 HydrophobicContact CZ2-CE1 3.48Å; W89-Y132 VanDerWaalsContact CZ2-CE1 3.48Å; E130-Y132 VanDerWaalsContact C-N 3.31Å; E130-Y132 PolarHBondContact OE1-N 3.27Å; Y132-R134 PolarHBondContact O-N 3.16Å; Y132-W314 HydrophobicContact CD1-CH2 4.35Å; Y132-W314 AromaticContact CD1-CZ2 3.74Å; Y132-W314 HydrophobicContact CD1-CZ2 3.74Å; Y132-W314 AromaticContact CE1-CH2 3.85Å; Y132-W314 HydrophobicContact CE1-CH2 3.85Å; Y132-W314 AromaticContact CE1-CZ2 3.69Å; Y132-W314 HydrophobicContact CE1-CZ2 3.69Å
133P98.6Very high98.2Very high10 Ų1073.6 Ų73.67%0.06537%0.366CS..  trans-68125.7-167.230.9-37.2000111.2T91 F125 K126 E130 V131 L141T91-P133 HydrophobicContact CG2-CG 4.06Å; F125-P133 HydrophobicContact CB-CG 3.98Å; F125-P133 HydrophobicContact CD2-CG 4.31Å; F125-P133 HydrophobicContact CG-CG 4.49Å; K126-P133 HydrophobicContact CB-CG 4.5Å; E130-P133 HydrophobicContact CG-CB 4.44Å; V131-P133 VanDerWaalsContact O-CD 3.22Å; V131-P133 WeakPolarHBondContact O-CD 3.39Å; P133-L141 HydrophobicContact CB-CB 4.11Å; P133-L141 HydrophobicContact CB-CD1 4.35Å; P133-L141 HydrophobicContact CG-CB 4.36Å; P133-L141 PolarHBondContact O-N 3.01Å
134R98.3Very high98.2Very high143 Ų14382.4 Ų82.454%0.5440%0.404SS..BIsolated β-bridgetrans-134.5151.1175.7-71.4176-70.8173.72.1110Y132 G138 K139 W140Y132-R134 PolarHBondContact O-N 3.16Å; R134-G138 WeakPolarHBondContact CD-O 3.3Å; R134-K139 CarbonylContact C-O 3.15Å; R134-K139 WeakPolarHBondContact CA-O 3.41Å; R134-W140 HydrophobicContact CG-CD2 3.87Å; R134-W140 HydrophobicContact CG-CE3 3.48Å; R134-W140 VanDerWaalsContact CG-CE3 3.48Å; R134-W140 HydrophobicContact CG-CG 4.49Å; R134-W140 HydrophobicContact CG-CH2 4.42Å; R134-W140 HydrophobicContact CG-CZ3 3.8Å
135D97.8Very high98.2Very high55 Ų5583.5 Ų83.529%0.29441%0.412SS..  trans-77.2-179.4168.569.214.4000111.8N137 G138 K139 L141D135-N137 PolarHBondContact O-N 3.23Å; D135-N137 WeakPolarHBondContact OD1-CA 3.45Å; D135-N137 WeakPolarHBondContact OD1-CB 3.38Å; D135-N137 PolarHBondContact OD1-N 3.26Å; D135-G138 PolarHBondContact O-N 3.19Å; D135-G138 PolarHBondContact OD1-N 3.02Å; D135-G138 VanDerWaalsContact OD1-N 3.14Å; D135-K139 PolarHBondContact N-O 3.49Å; D135-K139 WeakPolarHBondContact OD1-CB 3.49Å; D135-K139 PolarHBondContact OD1-N 3.06Å; D135-K139 WeakPolarHBondContact OD2-CB 3Å; D135-L141 HydrophobicContact CB-CD2 4.18Å
136E97.6Very high98.2Very high187 Ų18787.8 Ų87.887%0.87444%0.435SS*.THydrogen-bonded Turntrans-59.4-23.4177.664.3-172.2173.300114G138E136-G138 VanDerWaalsContact C-N 3.3Å
137N97.6Very high98.2Very high131 Ų13183 Ų8370%0.70141%0.414SS*.THydrogen-bonded Turntrans-90.23.5177.4-58.8-58.2000112.1D135 K139D135-N137 PolarHBondContact O-N 3.23Å; D135-N137 WeakPolarHBondContact OD1-CA 3.45Å; D135-N137 WeakPolarHBondContact OD1-CB 3.38Å; D135-N137 PolarHBondContact OD1-N 3.26Å; N137-K139 VanDerWaalsContact C-N 3.26Å; N137-K139 PolarHBondContact O-N 2.88Å
138G96.9Very high98.2Very high37 Ų3782.4 Ų82.438%0.38141%0.411SS..  trans75.610.2-176.700000114R134 D135 E136R134-G138 WeakPolarHBondContact CD-O 3.3Å; D135-G138 PolarHBondContact O-N 3.19Å; D135-G138 PolarHBondContact OD1-N 3.02Å; D135-G138 VanDerWaalsContact OD1-N 3.14Å; E136-G138 VanDerWaalsContact C-N 3.3Å
139K98Very high98.2Very high142 Ų14281.4 Ų81.462%0.61740%0.399SS*.  trans-73.4132177.5-174.6-176177.2-179.70109.8R134 D135 N137 L141R134-K139 CarbonylContact C-O 3.15Å; R134-K139 WeakPolarHBondContact CA-O 3.41Å; D135-K139 PolarHBondContact N-O 3.49Å; D135-K139 WeakPolarHBondContact OD1-CB 3.49Å; D135-K139 PolarHBondContact OD1-N 3.06Å; D135-K139 WeakPolarHBondContact OD2-CB 3Å; N137-K139 VanDerWaalsContact C-N 3.26Å; N137-K139 PolarHBondContact O-N 2.88Å; K139-L141 PolarHBondContact O-N 3.48Å
140W98.6Very high98.3Very high49 Ų4973.7 Ų73.719%0.18636%0.358CS..BIsolated β-bridgetrans-62.8132.5176.8-63.3110.7000112.1R134 Y142 M313 W314R134-W140 HydrophobicContact CG-CD2 3.87Å; R134-W140 HydrophobicContact CG-CE3 3.48Å; R134-W140 VanDerWaalsContact CG-CE3 3.48Å; R134-W140 HydrophobicContact CG-CG 4.49Å; R134-W140 HydrophobicContact CG-CH2 4.42Å; R134-W140 HydrophobicContact CG-CZ3 3.8Å; W140-Y142 HydrophobicContact CB-CD1 3.92Å; W140-Y142 HydrophobicContact CB-CE1 3.29Å; W140-Y142 HydrophobicContact CB-CE2 4.29Å; W140-Y142 VanDerWaalsContact CB-CZ 3.48Å; W140-Y142 HydrophobicContact CG-CE1 4.01Å; W140-Y142 PolarHBondContact O-N 2.6Å; W140-M313 VanDerWaalsContact CD1-O 3.23Å; W140-M313 HydrophobicContact CH2-CG 4.48Å; W140-M313 HydrophobicContact CZ2-CB 3.84Å; W140-M313 HydrophobicContact CZ2-CG 3.78Å; W140-M313 PolarHBondContact NE1-O 2.96Å; W140-W314 AromaticContact CD2-CD1 3.79Å; W140-W314 AromaticContact CD2-NE1 3.67Å; W140-W314 AromaticContact CE2-CD1 3.73Å; W140-W314 AromaticContact CE2-NE1 3.6Å; W140-W314 AromaticContact CE3-NE1 3.61Å; W140-W314 AromaticContact CH2-NE1 3.51Å; W140-W314 AromaticContact CZ2-NE1 3.55Å; W140-W314 AromaticContact CZ3-NE1 3.53Å; W140-W314 AromaticContact NE1-CD1 3.98Å
141L98.8Very high98.4Very high56 Ų5668.3 Ų68.329%0.29333%0.333SS..  trans-94.589.1179.1-62.9177.3000109.5K126 P133 D135 K139K126-L141 HydrophobicContact CB-CB 3.81Å; K126-L141 WeakPolarHBondContact CB-O 3.25Å; K126-L141 HydrophobicContact CD-CB 4.16Å; K126-L141 HydrophobicContact CD-CD1 3.92Å; K126-L141 PolarHBondContact N-O 3.05Å; P133-L141 HydrophobicContact CB-CB 4.11Å; P133-L141 HydrophobicContact CB-CD1 4.35Å; P133-L141 HydrophobicContact CG-CB 4.36Å; P133-L141 PolarHBondContact O-N 3.01Å; D135-L141 HydrophobicContact CB-CD2 4.18Å; K139-L141 PolarHBondContact O-N 3.48Å
142Y98.8Very high98.5Very high57 Ų5771.3 Ų71.322%0.22434%0.344CS..BIsolated β-bridgetrans-79.6162.5177.3-57.3-31.3000112.8F125 W140 W314 D316 H317F125-Y142 AromaticContact CD1-CD1 3.6Å; F125-Y142 HydrophobicContact CD1-CD1 3.6Å; F125-Y142 HydrophobicContact CD1-CE1 4.07Å; F125-Y142 AromaticContact CE1-CD1 3.53Å; F125-Y142 HydrophobicContact CE1-CD1 3.53Å; F125-Y142 AromaticContact CE1-CE1 3.51Å; F125-Y142 HydrophobicContact CE1-CE1 3.51Å; F125-Y142 HydrophobicContact CZ-CD1 4.4Å; F125-Y142 HydrophobicContact CZ-CE1 4.05Å; W140-Y142 HydrophobicContact CB-CD1 3.92Å; W140-Y142 HydrophobicContact CB-CE1 3.29Å; W140-Y142 HydrophobicContact CB-CE2 4.29Å; W140-Y142 VanDerWaalsContact CB-CZ 3.48Å; W140-Y142 HydrophobicContact CG-CE1 4.01Å; W140-Y142 PolarHBondContact O-N 2.6Å; Y142-W314 WeakPolarHBondContact OH-CA 3.42Å; Y142-D316 WeakPolarHBondContact CE2-OD2 3.35Å; Y142-D316 PolarHBondContact OH-OD1 2.91Å; Y142-H317 AromaticContact CD1-CD2 3.52Å; Y142-H317 HydrophobicContact CD2-CB 4.29Å; Y142-H317 AromaticContact CD2-CD2 3.86Å; Y142-H317 HydrophobicContact CE1-CB 4.23Å; Y142-H317 AromaticContact CE1-CD2 3.9Å; Y142-H317 HydrophobicContact CE2-CB 3.89Å; Y142-H317 AromaticContact CG-CD2 3.49Å; Y142-H317 VanDerWaalsContact CG-CD2 3.49Å
143H98.6Very high98.5Very high86 Ų8667.6 Ų67.640%0.39833%0.333SS..  trans-125.9156.7170.6-170.4-86.9000109.4A124 F125 S145A124-H143 HydrophobicContact CB-CB 4.15Å; A124-H143 PolarHBondContact O-N 2.82Å; A124-H143 VanDerWaalsContact O-O 3.07Å; F125-H143 WeakPolarHBondContact O-CB 3.38Å; H143-S145 PolarHBondContact O-N 2.7Å
144K98.8Very high98.5Very high184 Ų18467.1 Ų67.180%0.833%0.33SS*.  trans-64.2121.9174.4-172.4177.4-179.9-178.70109.3
145S98.8Very high98.5Very high25 Ų2560.8 Ų60.818%0.17531%0.307CS..  trans-77.3138.6175.6-60.60000110.4A124 H143 H317A124-S145 VanDerWaalsContact CB-OG 3.31Å; A124-S145 WeakPolarHBondContact CB-OG 3.23Å; A124-S145 PolarHBondContact N-OG 3.26Å; H143-S145 PolarHBondContact O-N 2.7Å; S145-H317 PolarHBondContact OG-CE1 3.49Å; S145-H317 VanDerWaalsContact OG-CE1 3.3Å
146N98.8Very high98.6Very high93 Ų9360.6 Ų60.650%0.49731%0.313SS..  trans-141.380.3171.2-174.1-11.2000108.5C148 A149 T150N146-C148 VanDerWaalsContact C-N 3.28Å; N146-C148 PolarHBondContact O-N 3.02Å; N146-A149 HydrophobicContact CB-CB 4.15Å; N146-A149 VanDerWaalsContact CG-CB 3.44Å; N146-A149 WeakPolarHBondContact ND2-CB 3.38Å; N146-A149 PolarHBondContact O-N 3.4Å; N146-A149 VanDerWaalsContact O-N 3.15Å; N146-A149 PolarHBondContact OD1-N 3.37Å; N146-T150 PolarHBondContact O-N 3.49Å; N146-T150 PolarHBondContact O-OG1 2.84Å
147L98.9Very high98.7Very high3 Ų351.8 Ų51.82%0.01627%0.271CS..Hα-helixtrans-59.6-37.5-171.5-60.9179.6000112.4P122 W151 F171 Q175 L178P122-L147 HydrophobicContact CB-CD1 4.26Å; P122-L147 HydrophobicContact CB-CD2 4.25Å; P122-L147 WeakPolarHBondContact O-CD2 3.43Å; L147-W151 VanDerWaalsContact O-CB 3.24Å; L147-W151 WeakPolarHBondContact O-CB 3.39Å; L147-W151 PolarHBondContact O-N 3.49Å; L147-F171 HydrophobicContact CD1-CE1 3.88Å; L147-F171 HydrophobicContact CD1-CZ 4.25Å; L147-F171 HydrophobicContact CD2-CE1 4.27Å; L147-F171 HydrophobicContact CD2-CZ 3.86Å; L147-Q175 HydrophobicContact CD1-CB 4.02Å; L147-Q175 HydrophobicContact CD1-CG 3.98Å; L147-L178 HydrophobicContact CB-CD2 3.99Å; L147-L178 HydrophobicContact CD1-CD2 4.1Å; L147-L178 HydrophobicContact CG-CD2 4.4Å
148C98.9Very high98.7Very high26 Ų2647.1 Ų47.118%0.17625%0.245CC..Hα-helixtrans-64.4-44.4176.5-67.40000112.2N146 W151 E152 K182N146-C148 VanDerWaalsContact C-N 3.28Å; N146-C148 PolarHBondContact O-N 3.02Å; C148-W151 WeakPolarHBondContact O-CB 3Å; C148-W151 PolarHBondContact O-N 3.19Å; C148-E152 WeakPolarHBondContact O-CG 3.37Å; C148-E152 PolarHBondContact O-N 3.29Å; C148-K182 HydrophobicContact CB-CD 4.15Å; C148-K182 HydrophobicContact CB-CG 4.09Å
149A98.9Very high98.8Very high17 Ų1749.2 Ų49.214%0.1425%0.247CC..Hα-helixtrans-69.6-38.7179.300000112.1P95 N146 W151 E152 A153P95-A149 HydrophobicContact CG-CB 3.86Å; N146-A149 HydrophobicContact CB-CB 4.15Å; N146-A149 VanDerWaalsContact CG-CB 3.44Å; N146-A149 WeakPolarHBondContact ND2-CB 3.38Å; N146-A149 PolarHBondContact O-N 3.4Å; N146-A149 VanDerWaalsContact O-N 3.15Å; N146-A149 PolarHBondContact OD1-N 3.37Å; A149-W151 VanDerWaalsContact C-N 3.27Å; A149-W151 PolarHBondContact O-N 2.98Å; A149-E152 PolarHBondContact O-N 3.09Å; A149-A153 PolarHBondContact O-N 2.77Å
150T98.9Very high98.8Very high2 Ų244.7 Ų44.71%0.01224%0.236CC..Hα-helixtrans-61.9-40.2171.4-530000110.3L88 H93 V98 I119 N146 A153 M154L88-T150 HydrophobicContact CD2-CG2 3.78Å; H93-T150 HydrophobicContact CB-CG2 4.32Å; H93-T150 PolarHBondContact O-OG1 2.93Å; V98-T150 HydrophobicContact CG2-CG2 4.09Å; I119-T150 HydrophobicContact CD1-CG2 3.85Å; I119-T150 HydrophobicContact CG1-CG2 4.31Å; N146-T150 PolarHBondContact O-N 3.49Å; N146-T150 PolarHBondContact O-OG1 2.84Å; T150-A153 PolarHBondContact O-N 2.69Å; T150-M154 WeakPolarHBondContact O-CG 3.4Å; T150-M154 PolarHBondContact O-N 2.89Å
151W98.9Very high98.9Very high0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-63.2-43.3176.7-166.9-101.4000112.6I119 L147 C148 A149 A153 M154 E155 L166 G167 V168 I179 Y187 P189I119-W151 HydrophobicContact CD1-CE3 3.94Å; I119-W151 HydrophobicContact CD1-CZ3 4.49Å; L147-W151 VanDerWaalsContact O-CB 3.24Å; L147-W151 WeakPolarHBondContact O-CB 3.39Å; L147-W151 PolarHBondContact O-N 3.49Å; C148-W151 WeakPolarHBondContact O-CB 3Å; C148-W151 PolarHBondContact O-N 3.19Å; A149-W151 VanDerWaalsContact C-N 3.27Å; A149-W151 PolarHBondContact O-N 2.98Å; W151-A153 PolarHBondContact O-N 2.62Å; W151-M154 CarbonylContact O-C 3.49Å; W151-M154 WeakPolarHBondContact O-CA 3.46Å; W151-M154 VanDerWaalsContact O-CB 3.31Å; W151-M154 WeakPolarHBondContact O-CB 3.18Å; W151-M154 PolarHBondContact O-N 3.28Å; W151-E155 PolarHBondContact NE1-OE1 3.32Å; W151-E155 WeakPolarHBondContact O-CG 3.35Å; W151-E155 PolarHBondContact O-N 2.98Å; W151-L166 HydrophobicContact CH2-CB 3.68Å; W151-L166 HydrophobicContact CZ2-CB 3.95Å; W151-L166 HydrophobicContact CZ3-CB 4.5Å; W151-G167 WeakPolarHBondContact CZ3-O 2.92Å; W151-V168 HydrophobicContact CE3-CG1 4.25Å; W151-V168 HydrophobicContact CH2-CG1 4.42Å; W151-V168 HydrophobicContact CZ3-CG1 3.66Å; W151-I179 HydrophobicContact CD2-CD1 4.01Å; W151-I179 HydrophobicContact CD2-CG2 3.76Å; W151-I179 HydrophobicContact CE3-CD1 3.77Å; W151-I179 HydrophobicContact CE3-CG2 4.47Å; W151-I179 HydrophobicContact CG-CD1 4.34Å; W151-I179 HydrophobicContact CG-CG1 4.47Å; W151-I179 HydrophobicContact CG-CG2 3.79Å; W151-I179 HydrophobicContact CZ2-CG2 4.37Å; W151-I179 HydrophobicContact CZ3-CD1 4.37Å; W151-Y187 VanDerWaalsContact CZ2-O 3.29Å; W151-Y187 WeakPolarHBondContact CZ2-O 3.3Å; W151-Y187 PolarHBondContact NE1-O 3.05Å; W151-P189 HydrophobicContact CH2-CB 3.58Å; W151-P189 HydrophobicContact CH2-CG 4.44Å; W151-P189 HydrophobicContact CZ2-CB 3.9Å; W151-P189 HydrophobicContact CZ2-CG 4.38Å; W151-P189 HydrophobicContact CZ3-CB 4.36Å
152E98.9Very high98.9Very high99 Ų9942.9 Ų42.946%0.46324%0.24SC..Hα-helixtrans-57.1-39.4175.6-70.7172.1168.400112C148 A149 E155 A156 K182C148-E152 WeakPolarHBondContact O-CG 3.37Å; C148-E152 PolarHBondContact O-N 3.29Å; A149-E152 PolarHBondContact O-N 3.09Å; E152-E155 WeakPolarHBondContact O-CB 3.47Å; E152-E155 PolarHBondContact O-N 2.73Å; E152-A156 PolarHBondContact O-N 3.46Å; E152-K182 VanDerWaalsContact CD-CE 3.44Å; E152-K182 HydrophobicContact CG-CD 4.49Å; E152-K182 WeakPolarHBondContact OE1-CE 3.24Å; E152-K182 IonicContact OE1-NZ 3.29Å; E152-K182 PolarHBondContact OE1-NZ 2.88Å
153A98.9Very high98.9Very high17 Ų1740.3 Ų40.314%0.1423%0.23CC..Hα-helixtrans-70.4-31.5175.600000112.8P95 V98 A149 T150 W151 C157P95-A153 HydrophobicContact CB-CB 4.08Å; P95-A153 WeakPolarHBondContact O-CB 3.38Å; V98-A153 HydrophobicContact CB-CB 3.72Å; V98-A153 HydrophobicContact CG1-CB 4.14Å; V98-A153 HydrophobicContact CG2-CB 3.71Å; A149-A153 PolarHBondContact O-N 2.77Å; T150-A153 PolarHBondContact O-N 2.69Å; W151-A153 PolarHBondContact O-N 2.62Å; A153-C157 PolarHBondContact O-N 2.98Å; A153-C157 PolarHBondContact O-SG 3.14Å
154M98.9Very high98.9Very high0 Ų040.3 Ų40.30%023%0.229CC..Hα-helixtrans-66.9-42170.3-63.9-75.9-75.800111.1L88 V98 Y117 I119 T150 W151 A156 C157 K158 L166L88-M154 HydrophobicContact CD2-SD 4.05Å; V98-M154 HydrophobicContact CG1-CG 3.98Å; V98-M154 HydrophobicContact CG1-SD 3.5Å; V98-M154 VanDerWaalsContact CG1-SD 3.5Å; Y117-M154 HydrophobicContact CD1-CE 3.45Å; Y117-M154 VanDerWaalsContact CD1-CE 3.45Å; Y117-M154 HydrophobicContact CD1-SD 3.66Å; Y117-M154 HydrophobicContact CE1-CE 4.19Å; Y117-M154 HydrophobicContact CE1-SD 3.95Å; Y117-M154 HydrophobicContact CG-CE 4.12Å; Y117-M154 WeakPolarHBondContact O-CE 3.43Å; I119-M154 HydrophobicContact CG1-CE 4.26Å; I119-M154 HydrophobicContact CG1-CG 4.28Å; T150-M154 WeakPolarHBondContact O-CG 3.4Å; T150-M154 PolarHBondContact O-N 2.89Å; W151-M154 CarbonylContact O-C 3.49Å; W151-M154 WeakPolarHBondContact O-CA 3.46Å; W151-M154 VanDerWaalsContact O-CB 3.31Å; W151-M154 WeakPolarHBondContact O-CB 3.18Å; W151-M154 PolarHBondContact O-N 3.28Å; M154-A156 VanDerWaalsContact C-N 3.31Å; M154-A156 PolarHBondContact O-N 3.06Å; M154-C157 WeakPolarHBondContact O-CB 3.25Å; M154-C157 PolarHBondContact O-N 3.24Å; M154-C157 VanDerWaalsContact O-N 3.07Å; M154-K158 PolarHBondContact O-N 3.05Å; M154-L166 HydrophobicContact CB-CD1 4.25Å; M154-L166 HydrophobicContact CB-CD2 4.21Å; M154-L166 HydrophobicContact CE-CD2 4.26Å; M154-L166 WeakPolarHBondContact O-CD1 3.5Å
155E98.9Very high98.9Very high11 Ų1131.6 Ų31.65%0.05119%0.192CC..Hα-helixtrans-57.3-44.6175.2-67179.9133.900111.2W151 E152 C157 K158 D159 L166 K186 Y187W151-E155 PolarHBondContact NE1-OE1 3.32Å; W151-E155 WeakPolarHBondContact O-CG 3.35Å; W151-E155 PolarHBondContact O-N 2.98Å; E152-E155 WeakPolarHBondContact O-CB 3.47Å; E152-E155 PolarHBondContact O-N 2.73Å; E155-C157 VanDerWaalsContact C-N 3.27Å; E155-C157 PolarHBondContact O-N 3.46Å; E155-K158 WeakPolarHBondContact O-CB 3.36Å; E155-K158 PolarHBondContact O-N 3.02Å; E155-K158 VanDerWaalsContact O-N 3.1Å; E155-D159 PolarHBondContact O-N 2.75Å; E155-L166 HydrophobicContact CG-CD1 4.33Å; E155-K186 WeakPolarHBondContact OE1-CA 3.45Å; E155-K186 WeakPolarHBondContact OE1-CB 3.42Å; E155-K186 PolarHBondContact OE1-N 3.28Å; E155-Y187 HydrophobicContact CB-CD2 3.9Å; E155-Y187 HydrophobicContact CG-CD2 3.98Å; E155-Y187 PolarHBondContact OE1-N 3.21Å
156A98.9Very high98.9Very high51 Ų5130.5 Ų30.542%0.42118%0.184SC..Hα-helixtrans-62.5-30.4175.900000113.5E152 M154 A160E152-A156 PolarHBondContact O-N 3.46Å; M154-A156 VanDerWaalsContact C-N 3.31Å; M154-A156 PolarHBondContact O-N 3.06Å; A156-A160 WeakPolarHBondContact O-CB 3.35Å; A156-A160 PolarHBondContact O-N 2.79Å
157C98.9Very high98.9Very high1 Ų126 Ų261%0.00716%0.16CC..Hα-helixtrans-68.4-37.6174.1-66.40000112L102 A153 M154 E155 A160 G161 L162 V163L102-C157 HydrophobicContact CD2-CB 3.7Å; A153-C157 PolarHBondContact O-N 2.98Å; A153-C157 PolarHBondContact O-SG 3.14Å; M154-C157 WeakPolarHBondContact O-CB 3.25Å; M154-C157 PolarHBondContact O-N 3.24Å; M154-C157 VanDerWaalsContact O-N 3.07Å; E155-C157 VanDerWaalsContact C-N 3.27Å; E155-C157 PolarHBondContact O-N 3.46Å; C157-A160 PolarHBondContact O-N 2.95Å; C157-G161 PolarHBondContact O-N 3.06Å; C157-L162 PolarHBondContact O-N 3.1Å; C157-L162 VanDerWaalsContact O-N 3.14Å; C157-V163 HydrophobicContact CB-CG1 3.9Å
158K98.9Very high98.9Very high33 Ų3325.9 Ų25.914%0.14316%0.159CC..Hα-helixtrans-68-43174.4178.7163.7174.6167.30111.3D14 M154 E155 A160 G161 V163 K164 L166 Y187D14-K158 IonicContact OD2-NZ 2.74Å; D14-K158 PolarHBondContact OD2-NZ 3.1Å; M154-K158 PolarHBondContact O-N 3.05Å; E155-K158 WeakPolarHBondContact O-CB 3.36Å; E155-K158 PolarHBondContact O-N 3.02Å; E155-K158 VanDerWaalsContact O-N 3.1Å; K158-A160 PolarHBondContact O-N 3.24Å; K158-G161 PolarHBondContact O-N 3.22Å; K158-V163 HydrophobicContact CB-CG1 4.06Å; K158-K164 WeakPolarHBondContact CD-O 3.26Å; K158-K164 WeakPolarHBondContact CE-O 3.27Å; K158-K164 PolarHBondContact NZ-O 2.85Å; K158-L166 HydrophobicContact CB-CD1 3.87Å; K158-L166 HydrophobicContact CB-CD2 4.4Å; K158-L166 HydrophobicContact CB-CG 4.12Å; K158-L166 HydrophobicContact CD-CD1 4.18Å; K158-L166 HydrophobicContact CD-CG 4.09Å; K158-Y187 HydrophobicContact CB-CD2 4.32Å; K158-Y187 HydrophobicContact CB-CE2 4.2Å; K158-Y187 HydrophobicContact CD-CD1 3.92Å; K158-Y187 HydrophobicContact CD-CD2 4.04Å; K158-Y187 HydrophobicContact CD-CE1 4.07Å; K158-Y187 HydrophobicContact CD-CE2 4.18Å; K158-Y187 HydrophobicContact CD-CG 3.91Å; K158-Y187 HydrophobicContact CG-CD2 4.33Å; K158-Y187 HydrophobicContact CG-CE2 4.07Å
159D98.9Very high98.9Very high81 Ų8124.8 Ų24.843%0.43315%0.152SC..Hα-helixtrans-56.7-39.2173.9-78.7-34.8000112.9E155 G161 K186 Y187E155-D159 PolarHBondContact O-N 2.75Å; D159-G161 PolarHBondContact O-N 3.5Å; D159-K186 VanDerWaalsContact OD1-CE 3.23Å; D159-K186 WeakPolarHBondContact OD1-CE 3.32Å; D159-K186 IonicContact OD1-NZ 2.89Å; D159-K186 PolarHBondContact OD1-NZ 3.4Å; D159-K186 IonicContact OD2-NZ 3.93Å; D159-K186 PolarHBondContact OD2-NZ 2.87Å; D159-Y187 PolarHBondContact OD1-OH 2.87Å
160A98.8Very high98.9Very high47 Ų4724.5 Ų24.539%0.38815%0.148SC..THydrogen-bonded Turntrans-75.4-0.9177.700000113.9A156 C157 K158 L162A156-A160 WeakPolarHBondContact O-CB 3.35Å; A156-A160 PolarHBondContact O-N 2.79Å; C157-A160 PolarHBondContact O-N 2.95Å; K158-A160 PolarHBondContact O-N 3.24Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 HydrophobicContact CB-CD1 4.31Å; A160-L162 HydrophobicContact CB-CG 4.05Å; A160-L162 PolarHBondContact O-N 3.4Å
161G98.8Very high98.9Very high41 Ų4124.5 Ų24.542%0.42315%0.148SC..THydrogen-bonded Turntrans75.68.3179.600000115.1C157 K158 D159 V163C157-G161 PolarHBondContact O-N 3.06Å; K158-G161 PolarHBondContact O-N 3.22Å; D159-G161 PolarHBondContact O-N 3.5Å; G161-V163 VanDerWaalsContact C-N 3.29Å; G161-V163 PolarHBondContact O-N 3.03Å
162L98.9Very high98.9Very high26 Ų2624.6 Ų24.614%0.13615%0.148CC..SBendtrans-76.6-19-178.3-57.9-179.1000112.8R99 L102 E103 L106 Y113 V114 C157 A160R99-L162 HydrophobicContact CG-CD1 4.08Å; L102-L162 HydrophobicContact CD2-CB 3.61Å; L102-L162 HydrophobicContact CD2-CD1 4.36Å; L102-L162 HydrophobicContact CG-CB 4.39Å; E103-L162 HydrophobicContact CG-CD1 4.11Å; L106-L162 HydrophobicContact CD1-CB 4.09Å; L106-L162 HydrophobicContact CD1-CD2 3.91Å; L106-L162 HydrophobicContact CD1-CG 4.46Å; Y113-L162 VanDerWaalsContact CA-O 3.26Å; Y113-L162 WeakPolarHBondContact CA-O 3.39Å; Y113-L162 WeakPolarHBondContact CB-O 3.35Å; V114-L162 PolarHBondContact N-O 3.18Å; V114-L162 VanDerWaalsContact N-O 3.1Å; C157-L162 PolarHBondContact O-N 3.1Å; C157-L162 VanDerWaalsContact O-N 3.14Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 HydrophobicContact CB-CD1 4.31Å; A160-L162 HydrophobicContact CB-CG 4.05Å; A160-L162 PolarHBondContact O-N 3.4Å
163V98.9Very high98.9Very high3 Ų324 Ų242%0.01814%0.142CC..EExtended strand (participates in β ladder)trans-145.3141.4178.9530000110.6L102 V114 C157 K158 G161 S165 L166L102-V163 HydrophobicContact CD2-CB 4.28Å; L102-V163 HydrophobicContact CD2-CG1 4.16Å; V114-V163 HydrophobicContact CG2-CB 3.87Å; V114-V163 HydrophobicContact CG2-CG2 3.85Å; V114-V163 VanDerWaalsContact O-CA 3.25Å; V114-V163 WeakPolarHBondContact O-CA 3.14Å; C157-V163 HydrophobicContact CB-CG1 3.9Å; K158-V163 HydrophobicContact CB-CG1 4.06Å; G161-V163 VanDerWaalsContact C-N 3.29Å; G161-V163 PolarHBondContact O-N 3.03Å; V163-S165 WeakPolarHBondContact CG2-O 3.25Å; V163-L166 HydrophobicContact CG1-CD2 3.65Å; V163-L166 HydrophobicContact CG2-CD2 4.09Å
164K98.9Very high98.9Very high87 Ų8728 Ų2838%0.37815%0.153SC..EExtended strand (participates in β ladder)trans-82.8-45.4179.5-57.5-64.9-176.9-178.40113N16 Y113 V114 D115 K158N16-K164 PolarHBondContact ND2-O 3.38Å; Y113-K164 HydrophobicContact CD2-CD 4.15Å; Y113-K164 HydrophobicContact CD2-CG 3.63Å; Y113-K164 HydrophobicContact CE2-CD 4.22Å; Y113-K164 VanDerWaalsContact CE2-CE 3.47Å; Y113-K164 HydrophobicContact CE2-CG 3.66Å; V114-K164 PolarHBondContact O-N 3.45Å; D115-K164 WeakPolarHBondContact O-CB 3.23Å; K158-K164 WeakPolarHBondContact CD-O 3.26Å; K158-K164 WeakPolarHBondContact CE-O 3.27Å; K158-K164 PolarHBondContact NZ-O 2.85Å
165S99Very high98.9Very high1 Ų128 Ų281%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-129.3149.7-176.4-37.40000111.5D14 N16 D115 L116 Y117 V163D14-S165 WeakPolarHBondContact OD2-CA 3.3Å; D14-S165 WeakPolarHBondContact OD2-CB 3.43Å; D14-S165 PolarHBondContact OD2-OG 2.96Å; N16-S165 PolarHBondContact ND2-OG 3.11Å; N16-S165 VanDerWaalsContact ND2-OG 3.12Å; D115-S165 WeakPolarHBondContact O-CB 3.27Å; D115-S165 PolarHBondContact O-N 3.31Å; D115-S165 PolarHBondContact O-OG 3Å; L116-S165 WeakPolarHBondContact CA-O 3.43Å; Y117-S165 PolarHBondContact N-O 3.13Å; Y117-S165 VanDerWaalsContact N-O 3.13Å; V163-S165 WeakPolarHBondContact CG2-O 3.25Å
166L99Very high98.9Very high1 Ų127.5 Ų27.51%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-118.7139.4-179.7-62.1176.3000110.8W151 M154 E155 K158 V163 Y187 P189 V190W151-L166 HydrophobicContact CH2-CB 3.68Å; W151-L166 HydrophobicContact CZ2-CB 3.95Å; W151-L166 HydrophobicContact CZ3-CB 4.5Å; M154-L166 HydrophobicContact CB-CD1 4.25Å; M154-L166 HydrophobicContact CB-CD2 4.21Å; M154-L166 HydrophobicContact CE-CD2 4.26Å; M154-L166 WeakPolarHBondContact O-CD1 3.5Å; E155-L166 HydrophobicContact CG-CD1 4.33Å; K158-L166 HydrophobicContact CB-CD1 3.87Å; K158-L166 HydrophobicContact CB-CD2 4.4Å; K158-L166 HydrophobicContact CB-CG 4.12Å; K158-L166 HydrophobicContact CD-CD1 4.18Å; K158-L166 HydrophobicContact CD-CG 4.09Å; V163-L166 HydrophobicContact CG1-CD2 3.65Å; V163-L166 HydrophobicContact CG2-CD2 4.09Å; L166-Y187 HydrophobicContact CD1-CD2 4.38Å; L166-P189 WeakPolarHBondContact O-CA 3.44Å; L166-V190 WeakPolarHBondContact O-CG2 3.45Å; L166-V190 PolarHBondContact O-N 2.88Å
167G98.9Very high98.9Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-150.8-170178.300000113Y117 I118 I119 W151 S191Y117-G167 PolarHBondContact O-N 2.86Å; Y117-G167 VanDerWaalsContact O-N 3.17Å; I118-G167 WeakPolarHBondContact CA-O 3.37Å; I118-G167 WeakPolarHBondContact CB-O 3.29Å; I118-G167 VanDerWaalsContact CG2-C 3.5Å; I119-G167 PolarHBondContact N-O 2.87Å; W151-G167 WeakPolarHBondContact CZ3-O 2.92Å; G167-S191 WeakPolarHBondContact CA-O 3.42Å
168V99Very high98.9Very high0 Ų031.7 Ų31.70%016%0.164CC..EExtended strand (participates in β ladder)trans-135.4169.8179.5-63.80000110.8I119 W151 F171 L176 I179 S191 N192 Q193I119-V168 HydrophobicContact CB-CG1 4.46Å; I119-V168 CarbonylContact O-C 3.55Å; W151-V168 HydrophobicContact CE3-CG1 4.25Å; W151-V168 HydrophobicContact CH2-CG1 4.42Å; W151-V168 HydrophobicContact CZ3-CG1 3.66Å; V168-F171 HydrophobicContact CB-CB 4.33Å; V168-F171 HydrophobicContact CB-CD1 3.98Å; V168-F171 HydrophobicContact CB-CD2 3.66Å; V168-F171 HydrophobicContact CB-CE1 4.17Å; V168-F171 HydrophobicContact CB-CE2 3.83Å; V168-F171 HydrophobicContact CB-CG 3.72Å; V168-F171 HydrophobicContact CB-CZ 4.08Å; V168-F171 HydrophobicContact CG1-CD1 3.97Å; V168-F171 HydrophobicContact CG1-CD2 4.29Å; V168-F171 HydrophobicContact CG1-CE1 3.77Å; V168-F171 HydrophobicContact CG1-CE2 4.07Å; V168-F171 HydrophobicContact CG1-CG 4.23Å; V168-F171 HydrophobicContact CG1-CZ 3.8Å; V168-F171 HydrophobicContact CG2-CB 3.82Å; V168-F171 HydrophobicContact CG2-CD1 4.01Å; V168-F171 HydrophobicContact CG2-CD2 4.13Å; V168-F171 HydrophobicContact CG2-CG 3.73Å; V168-L176 HydrophobicContact CG2-CD2 3.57Å; V168-I179 HydrophobicContact CG1-CD1 3.94Å; V168-S191 PolarHBondContact N-O 2.93Å; V168-N192 HydrophobicContact CG2-CB 4.03Å; V168-N192 CarbonylContact O-C 3.53Å; V168-N192 VanDerWaalsContact O-CA 3.3Å; V168-N192 WeakPolarHBondContact O-CA 3.37Å; V168-Q193 PolarHBondContact O-N 3.26Å
169S98.9Very high98.9Very high2 Ų230.1 Ų30.11%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-145.1139.7178168.60000110.7I119 E120 V121 F171 Q193I119-S169 WeakPolarHBondContact O-CB 3.41Å; I119-S169 PolarHBondContact O-N 3.06Å; E120-S169 CarbonylContact C-O 3.56Å; E120-S169 CarbonylContact O-C 3.5Å; E120-S169 WeakPolarHBondContact O-CB 3.41Å; E120-S169 PolarHBondContact O-OG 2.91Å; V121-S169 WeakPolarHBondContact CA-O 3.33Å; S169-F171 VanDerWaalsContact O-CD2 3.26Å; S169-F171 WeakPolarHBondContact O-CD2 3.49Å; S169-F171 PolarHBondContact O-N 2.78Å; S169-Q193 CarbonylContact C-O 3.53Å; S169-Q193 WeakPolarHBondContact CA-O 3.2Å; S169-Q193 PolarHBondContact OG-O 3.35Å
170N98.9Very high98.9Very high12 Ų1227.6 Ų27.66%0.06414%0.143CC..SBendtrans59.326.4-173.8-58.2-73.6000114.2E120 V121 P122 Q193 Y219 P321 F322E120-N170 PolarHBondContact O-ND2 3Å; V121-N170 HydrophobicContact CG1-CB 4.39Å; P122-N170 WeakPolarHBondContact CD-O 3.45Å; N170-Q193 PolarHBondContact N-O 2.84Å; N170-Y219 WeakPolarHBondContact OD1-CE1 3.4Å; N170-Y219 PolarHBondContact OD1-OH 3.16Å; N170-P321 HydrophobicContact CB-CG 4.34Å; N170-P321 WeakPolarHBondContact O-CB 3.37Å; N170-P321 VanDerWaalsContact O-CG 3.29Å; N170-P321 WeakPolarHBondContact O-CG 3.27Å; N170-F322 HydrophobicContact CB-CZ 4.27Å
171F98.9Very high98.9Very high2 Ų231.3 Ų31.31%0.00916%0.157CC..  trans-87.4135.8176.4-83.2-134.6000110.1I119 P122 L147 V168 S169 Q175 L176 I179 N192I119-F171 HydrophobicContact CB-CE2 4.15Å; I119-F171 HydrophobicContact CB-CZ 4.19Å; I119-F171 HydrophobicContact CD1-CZ 4.27Å; I119-F171 HydrophobicContact CG2-CE2 3.88Å; I119-F171 HydrophobicContact CG2-CZ 3.97Å; P122-F171 HydrophobicContact CB-CD2 3.86Å; P122-F171 HydrophobicContact CB-CE1 4.49Å; P122-F171 HydrophobicContact CB-CE2 3.63Å; P122-F171 HydrophobicContact CB-CG 4.44Å; P122-F171 HydrophobicContact CB-CZ 3.97Å; P122-F171 HydrophobicContact CG-CD2 4.2Å; P122-F171 HydrophobicContact CG-CE2 4.34Å; L147-F171 HydrophobicContact CD1-CE1 3.88Å; L147-F171 HydrophobicContact CD1-CZ 4.25Å; L147-F171 HydrophobicContact CD2-CE1 4.27Å; L147-F171 HydrophobicContact CD2-CZ 3.86Å; V168-F171 HydrophobicContact CB-CB 4.33Å; V168-F171 HydrophobicContact CB-CD1 3.98Å; V168-F171 HydrophobicContact CB-CD2 3.66Å; V168-F171 HydrophobicContact CB-CE1 4.17Å; V168-F171 HydrophobicContact CB-CE2 3.83Å; V168-F171 HydrophobicContact CB-CG 3.72Å; V168-F171 HydrophobicContact CB-CZ 4.08Å; V168-F171 HydrophobicContact CG1-CD1 3.97Å; V168-F171 HydrophobicContact CG1-CD2 4.29Å; V168-F171 HydrophobicContact CG1-CE1 3.77Å; V168-F171 HydrophobicContact CG1-CE2 4.07Å; V168-F171 HydrophobicContact CG1-CG 4.23Å; V168-F171 HydrophobicContact CG1-CZ 3.8Å; V168-F171 HydrophobicContact CG2-CB 3.82Å; V168-F171 HydrophobicContact CG2-CD1 4.01Å; V168-F171 HydrophobicContact CG2-CD2 4.13Å; V168-F171 HydrophobicContact CG2-CG 3.73Å; S169-F171 VanDerWaalsContact O-CD2 3.26Å; S169-F171 WeakPolarHBondContact O-CD2 3.49Å; S169-F171 PolarHBondContact O-N 2.78Å; F171-Q175 HydrophobicContact CB-CB 4.23Å; F171-Q175 HydrophobicContact CD1-CB 3.56Å; F171-Q175 HydrophobicContact CE1-CB 4.18Å; F171-Q175 HydrophobicContact CG-CB 4.06Å; F171-L176 HydrophobicContact CB-CD2 4.14Å; F171-L176 HydrophobicContact CB-CG 4.09Å; F171-I179 HydrophobicContact CD1-CD1 4.31Å; F171-I179 HydrophobicContact CE1-CD1 3.64Å; F171-I179 HydrophobicContact CZ-CD1 4.46Å; F171-N192 PolarHBondContact N-OD1 3.21Å; F171-N192 PolarHBondContact O-ND2 3.49Å
172N98.9Very high98.9Very high2 Ų230 Ų301%0.01114%0.14CC..  trans-87179.2169.874.718000111.5R174 Q175 L176 P321 D324 Y326N172-R174 PolarHBondContact O-N 3.44Å; N172-R174 WeakPolarHBondContact OD1-CB 3.45Å; N172-R174 PolarHBondContact OD1-N 3.3Å; N172-R174 VanDerWaalsContact OD1-N 3.07Å; N172-Q175 PolarHBondContact O-N 3.26Å; N172-Q175 WeakPolarHBondContact OD1-CG 3.49Å; N172-Q175 PolarHBondContact OD1-N 2.91Å; N172-Q175 PolarHBondContact OD1-OE1 3.02Å; N172-L176 WeakPolarHBondContact O-CG 3.49Å; N172-L176 PolarHBondContact O-N 3.49Å; N172-P321 WeakPolarHBondContact CB-O 3.42Å; N172-P321 PolarHBondContact ND2-O 3.14Å; N172-P321 VanDerWaalsContact ND2-O 3.09Å; N172-D324 PolarHBondContact ND2-OD2 3.17Å; N172-Y326 WeakPolarHBondContact CA-OXT 3.34Å
173R98.9Very high98.9Very high87 Ų8734.3 Ų34.333%0.32817%0.169SC..Hα-helixtrans-55.5-50179.6175.7177.5172.4155.86.7112.8Q175 L176 E177 F208 Y326R173-Q175 VanDerWaalsContact C-N 3.28Å; R173-Q175 PolarHBondContact O-N 2.89Å; R173-L176 PolarHBondContact O-N 3.24Å; R173-E177 HydrophobicContact CG-CG 4.23Å; R173-E177 IonicContact CZ-OE1 2.87Å; R173-E177 VanDerWaalsContact CZ-OE1 3.24Å; R173-E177 IonicContact NE-OE1 3.74Å; R173-E177 PolarHBondContact NE-OE1 3.21Å; R173-E177 IonicContact NE-OE2 2.75Å; R173-E177 IonicContact NH2-OE1 2.78Å; R173-E177 PolarHBondContact NH2-OE1 3.37Å; R173-E177 WeakPolarHBondContact O-CG 3.45Å; R173-E177 PolarHBondContact O-N 3.03Å; R173-F208 HydrophobicContact CG-CD1 4.49Å; R173-F208 HydrophobicContact CG-CD2 3.94Å; R173-F208 HydrophobicContact CG-CE1 4.39Å; R173-F208 HydrophobicContact CG-CE2 3.81Å; R173-F208 HydrophobicContact CG-CG 4.29Å; R173-F208 HydrophobicContact CG-CZ 4.06Å; R173-Y326 HydrophobicContact CB-CD2 3.99Å; R173-Y326 HydrophobicContact CB-CE2 3.99Å; R173-Y326 VanDerWaalsContact CB-O 3.29Å; R173-Y326 WeakPolarHBondContact CB-O 3.49Å; R173-Y326 VanDerWaalsContact CD-CE2 3.44Å; R173-Y326 HydrophobicContact CG-CE2 4.24Å; R173-Y326 PolarHBondContact N-O 3.34Å; R173-Y326 PolarHBondContact N-OXT 3.43Å; R173-Y326 PolarHBondContact NH1-OH 3.02Å
174R98.9Very high98.9Very high99 Ų9937.7 Ų37.737%0.37420%0.204SC..Hα-helixtrans-56.5-44.6-177.5-177.3-16678.4-138.313.2111.2N172 E177 L178 E319 D324N172-R174 PolarHBondContact O-N 3.44Å; N172-R174 WeakPolarHBondContact OD1-CB 3.45Å; N172-R174 PolarHBondContact OD1-N 3.3Å; N172-R174 VanDerWaalsContact OD1-N 3.07Å; R174-E177 PolarHBondContact O-N 3.35Å; R174-L178 PolarHBondContact O-N 3.12Å; R174-E319 IonicContact CZ-OE2 3.4Å; R174-E319 IonicContact NH2-OE1 3.76Å; R174-E319 IonicContact NH2-OE2 2.76Å; R174-E319 PolarHBondContact NH2-OE2 3.45Å; R174-D324 IonicContact CZ-OD2 2.7Å; R174-D324 IonicContact NH1-OD1 3.88Å; R174-D324 IonicContact NH1-OD2 2.8Å; R174-D324 PolarHBondContact NH1-OD2 3.19Å
175Q98.9Very high98.9Very high1 Ų136 Ų361%0.00520%0.199CC..Hα-helixtrans-70.8-35.3-177.7-67163.7-2600112P122 L147 F171 N172 R173 E319P122-Q175 HydrophobicContact CB-CG 4.42Å; L147-Q175 HydrophobicContact CD1-CB 4.02Å; L147-Q175 HydrophobicContact CD1-CG 3.98Å; F171-Q175 HydrophobicContact CB-CB 4.23Å; F171-Q175 HydrophobicContact CD1-CB 3.56Å; F171-Q175 HydrophobicContact CE1-CB 4.18Å; F171-Q175 HydrophobicContact CG-CB 4.06Å; N172-Q175 PolarHBondContact O-N 3.26Å; N172-Q175 WeakPolarHBondContact OD1-CG 3.49Å; N172-Q175 PolarHBondContact OD1-N 2.91Å; N172-Q175 PolarHBondContact OD1-OE1 3.02Å; R173-Q175 VanDerWaalsContact C-N 3.28Å; R173-Q175 PolarHBondContact O-N 2.89Å; Q175-E319 PolarHBondContact NE2-O 3.5Å; Q175-E319 PolarHBondContact NE2-OE2 3.23Å
176L98.9Very high98.9Very high0 Ų041.4 Ų41.40%022%0.222CC..Hα-helixtrans-65.3-48.2170.1-71.5171.7000111.4V168 F171 N172 R173 L178 I179 L180 N192 L205 F208 I214V168-L176 HydrophobicContact CG2-CD2 3.57Å; F171-L176 HydrophobicContact CB-CD2 4.14Å; F171-L176 HydrophobicContact CB-CG 4.09Å; N172-L176 WeakPolarHBondContact O-CG 3.49Å; N172-L176 PolarHBondContact O-N 3.49Å; R173-L176 PolarHBondContact O-N 3.24Å; L176-L178 PolarHBondContact O-N 3.34Å; L176-I179 PolarHBondContact O-N 3.27Å; L176-I179 VanDerWaalsContact O-N 3.1Å; L176-L180 HydrophobicContact CB-CD1 4.44Å; L176-L180 WeakPolarHBondContact O-CB 3.33Å; L176-L180 VanDerWaalsContact O-CG 3.27Å; L176-L180 WeakPolarHBondContact O-CG 3.37Å; L176-L180 PolarHBondContact O-N 3.14Å; L176-N192 HydrophobicContact CD2-CB 4.48Å; L176-L205 HydrophobicContact CD1-CD1 3.93Å; L176-F208 HydrophobicContact CB-CE1 3.74Å; L176-F208 HydrophobicContact CB-CZ 4.38Å; L176-F208 HydrophobicContact CD1-CD1 3.9Å; L176-F208 HydrophobicContact CD1-CE1 3.68Å; L176-F208 HydrophobicContact CG-CE1 4.37Å; L176-I214 HydrophobicContact CD2-CD1 4.21Å
177E98.9Very high98.9Very high59 Ų5944.2 Ų44.228%0.27623%0.233SC..Hα-helixtrans-58.9-34.5178-74.7179.2159.400112R173 R174 I179 L180 N181 F208R173-E177 HydrophobicContact CG-CG 4.23Å; R173-E177 IonicContact CZ-OE1 2.87Å; R173-E177 VanDerWaalsContact CZ-OE1 3.24Å; R173-E177 IonicContact NE-OE1 3.74Å; R173-E177 PolarHBondContact NE-OE1 3.21Å; R173-E177 IonicContact NE-OE2 2.75Å; R173-E177 IonicContact NH2-OE1 2.78Å; R173-E177 PolarHBondContact NH2-OE1 3.37Å; R173-E177 WeakPolarHBondContact O-CG 3.45Å; R173-E177 PolarHBondContact O-N 3.03Å; R174-E177 PolarHBondContact O-N 3.35Å; E177-I179 PolarHBondContact O-N 2.95Å; E177-L180 PolarHBondContact O-N 2.9Å; E177-N181 VanDerWaalsContact O-CB 3.25Å; E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 3.43Å; E177-N181 PolarHBondContact O-ND2 3.36Å; E177-F208 HydrophobicContact CG-CE2 3.91Å; E177-F208 HydrophobicContact CG-CZ 3.59Å
178L98.9Very high98.8Very high81 Ų8147.2 Ų47.242%0.42425%0.246SC..Hα-helixtrans-59.8-43.9175.2-176.166.5000112.1L147 R174 L176 K182L147-L178 HydrophobicContact CB-CD2 3.99Å; L147-L178 HydrophobicContact CD1-CD2 4.1Å; L147-L178 HydrophobicContact CG-CD2 4.4Å; R174-L178 PolarHBondContact O-N 3.12Å; L176-L178 PolarHBondContact O-N 3.34Å; L178-K182 PolarHBondContact O-N 3.36Å
179I98.9Very high98.8Very high0 Ų047.2 Ų47.20%025%0.246CC..Hα-helixtrans-73-45.8176.2-64.5175.7000110.4W151 V168 F171 L176 E177 N181 K182 L185 P189W151-I179 HydrophobicContact CD2-CD1 4.01Å; W151-I179 HydrophobicContact CD2-CG2 3.76Å; W151-I179 HydrophobicContact CE3-CD1 3.77Å; W151-I179 HydrophobicContact CE3-CG2 4.47Å; W151-I179 HydrophobicContact CG-CD1 4.34Å; W151-I179 HydrophobicContact CG-CG1 4.47Å; W151-I179 HydrophobicContact CG-CG2 3.79Å; W151-I179 HydrophobicContact CZ2-CG2 4.37Å; W151-I179 HydrophobicContact CZ3-CD1 4.37Å; V168-I179 HydrophobicContact CG1-CD1 3.94Å; F171-I179 HydrophobicContact CD1-CD1 4.31Å; F171-I179 HydrophobicContact CE1-CD1 3.64Å; F171-I179 HydrophobicContact CZ-CD1 4.46Å; L176-I179 PolarHBondContact O-N 3.27Å; L176-I179 VanDerWaalsContact O-N 3.1Å; E177-I179 PolarHBondContact O-N 2.95Å; I179-N181 PolarHBondContact O-N 2.87Å; I179-K182 WeakPolarHBondContact O-CB 3.35Å; I179-K182 PolarHBondContact O-N 3.4Å; I179-K182 VanDerWaalsContact O-N 3.12Å; I179-L185 HydrophobicContact CG2-CD1 4.01Å; I179-P189 HydrophobicContact CG2-CG 4.18Å
180L98.9Very high98.8Very high28 Ų2847.2 Ų47.215%0.14725%0.246CC..Hα-helixtrans-60.4-34.1-177.6-69.9169.6000112.9L176 E177 K188 P189 F208 H212 I214L176-L180 HydrophobicContact CB-CD1 4.44Å; L176-L180 WeakPolarHBondContact O-CB 3.33Å; L176-L180 VanDerWaalsContact O-CG 3.27Å; L176-L180 WeakPolarHBondContact O-CG 3.37Å; L176-L180 PolarHBondContact O-N 3.14Å; E177-L180 PolarHBondContact O-N 2.9Å; L180-K188 HydrophobicContact CD2-CD 3.74Å; L180-K188 HydrophobicContact CD2-CG 3.56Å; L180-P189 HydrophobicContact CD2-CG 4.42Å; L180-F208 HydrophobicContact CD1-CE1 4.24Å; L180-F208 HydrophobicContact CD1-CZ 3.98Å; L180-H212 HydrophobicContact CD1-CB 4.25Å; L180-I214 HydrophobicContact CD1-CD1 4.34Å; L180-I214 HydrophobicContact CD2-CD1 4.42Å
181N98.8Very high98.8Very high126 Ų12646.7 Ų46.767%0.67424%0.243SC*.THydrogen-bonded Turntrans-97.97.2-179.7-61.6-44.5000113.4E177 I179E177-N181 VanDerWaalsContact O-CB 3.25Å; E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 3.43Å; E177-N181 PolarHBondContact O-ND2 3.36Å; I179-N181 PolarHBondContact O-N 2.87Å
182K98.7Very high98.8Very high14 Ų1446.6 Ų46.66%0.06124%0.243CC..  trans-60.9128.7178.8178.5-162.2167.2-63.20110.3C148 E152 L178 I179 G184 L185C148-K182 HydrophobicContact CB-CD 4.15Å; C148-K182 HydrophobicContact CB-CG 4.09Å; E152-K182 VanDerWaalsContact CD-CE 3.44Å; E152-K182 HydrophobicContact CG-CD 4.49Å; E152-K182 WeakPolarHBondContact OE1-CE 3.24Å; E152-K182 IonicContact OE1-NZ 3.29Å; E152-K182 PolarHBondContact OE1-NZ 2.88Å; L178-K182 PolarHBondContact O-N 3.36Å; I179-K182 WeakPolarHBondContact O-CB 3.35Å; I179-K182 PolarHBondContact O-N 3.4Å; I179-K182 VanDerWaalsContact O-N 3.12Å; K182-G184 PolarHBondContact O-N 3.47Å; K182-L185 HydrophobicContact CB-CB 4.45Å; K182-L185 HydrophobicContact CD-CD1 4.36Å; K182-L185 WeakPolarHBondContact O-CB 3.41Å; K182-L185 PolarHBondContact O-N 3.1Å; K182-L185 VanDerWaalsContact O-N 3.16Å
183P98.6Very high98.8Very high116 Ų11646.7 Ų46.775%0.75324%0.243SC*.THydrogen-bonded Turntrans-56.4132.8172.1-25.635000111.8L185P183-L185 VanDerWaalsContact C-N 3.26Å; P183-L185 PolarHBondContact O-N 2.96Å
184G98.6Very high98.9Very high73 Ų7342.7 Ų42.775%0.75323%0.229SC*.THydrogen-bonded Turntrans65.125.4-179.100000114.5K182 K186K182-G184 PolarHBondContact O-N 3.47Å; G184-K186 PolarHBondContact O-N 3.01Å
185L98.8Very high98.9Very high52 Ų5238 Ų3827%0.27221%0.211SC..  trans-52.1124.6171.1-179.468.6000110.2I179 K182 P183 Y187I179-L185 HydrophobicContact CG2-CD1 4.01Å; K182-L185 HydrophobicContact CB-CB 4.45Å; K182-L185 HydrophobicContact CD-CD1 4.36Å; K182-L185 WeakPolarHBondContact O-CB 3.41Å; K182-L185 PolarHBondContact O-N 3.1Å; K182-L185 VanDerWaalsContact O-N 3.16Å; P183-L185 VanDerWaalsContact C-N 3.26Å; P183-L185 PolarHBondContact O-N 2.96Å; L185-Y187 WeakPolarHBondContact CD1-O 3.45Å
186K98.8Very high98.9Very high115 Ų11538 Ų3850%0.521%0.211SC..  trans-101.3-42.9-178.2-174.6175.1178.7178.10111.9E155 D159 G184E155-K186 WeakPolarHBondContact OE1-CA 3.45Å; E155-K186 WeakPolarHBondContact OE1-CB 3.42Å; E155-K186 PolarHBondContact OE1-N 3.28Å; D159-K186 VanDerWaalsContact OD1-CE 3.23Å; D159-K186 WeakPolarHBondContact OD1-CE 3.32Å; D159-K186 IonicContact OD1-NZ 2.89Å; D159-K186 PolarHBondContact OD1-NZ 3.4Å; D159-K186 IonicContact OD2-NZ 3.93Å; D159-K186 PolarHBondContact OD2-NZ 2.87Å; G184-K186 PolarHBondContact O-N 3.01Å
187Y98.9Very high98.9Very high59 Ų5938 Ų3823%0.23121%0.211CC..SBendtrans-126115.6178.6-60-65.5000110.3W151 E155 K158 D159 L166 L185W151-Y187 VanDerWaalsContact CZ2-O 3.29Å; W151-Y187 WeakPolarHBondContact CZ2-O 3.3Å; W151-Y187 PolarHBondContact NE1-O 3.05Å; E155-Y187 HydrophobicContact CB-CD2 3.9Å; E155-Y187 HydrophobicContact CG-CD2 3.98Å; E155-Y187 PolarHBondContact OE1-N 3.21Å; K158-Y187 HydrophobicContact CB-CD2 4.32Å; K158-Y187 HydrophobicContact CB-CE2 4.2Å; K158-Y187 HydrophobicContact CD-CD1 3.92Å; K158-Y187 HydrophobicContact CD-CD2 4.04Å; K158-Y187 HydrophobicContact CD-CE1 4.07Å; K158-Y187 HydrophobicContact CD-CE2 4.18Å; K158-Y187 HydrophobicContact CD-CG 3.91Å; K158-Y187 HydrophobicContact CG-CD2 4.33Å; K158-Y187 HydrophobicContact CG-CE2 4.07Å; D159-Y187 PolarHBondContact OD1-OH 2.87Å; L166-Y187 HydrophobicContact CD1-CD2 4.38Å; L185-Y187 WeakPolarHBondContact CD1-O 3.45Å
188K98.8Very high98.9Very high64 Ų6435.1 Ų35.128%0.27820%0.197SC..  trans-64141.7172-172.5174.467.8-179.60110.2S13 L180 V190 H212 D213S13-K188 WeakPolarHBondContact OG-CE 3.24Å; L180-K188 HydrophobicContact CD2-CD 3.74Å; L180-K188 HydrophobicContact CD2-CG 3.56Å; K188-V190 PolarHBondContact O-N 2.89Å; K188-H212 WeakPolarHBondContact CE-O 3.31Å; K188-H212 PolarHBondContact NZ-O 3.05Å; K188-D213 IonicContact NZ-OD2 3.93Å; K188-D213 PolarHBondContact NZ-OD2 3.05Å
189P98.9Very high98.9Very high0 Ų031.6 Ų31.60%018%0.178CC..  trans-59.5122.3168.223.4-32.8000109.6W151 L166 I179 L180 I214W151-P189 HydrophobicContact CH2-CB 3.58Å; W151-P189 HydrophobicContact CH2-CG 4.44Å; W151-P189 HydrophobicContact CZ2-CB 3.9Å; W151-P189 HydrophobicContact CZ2-CG 4.38Å; W151-P189 HydrophobicContact CZ3-CB 4.36Å; L166-P189 WeakPolarHBondContact O-CA 3.44Å; I179-P189 HydrophobicContact CG2-CG 4.18Å; L180-P189 HydrophobicContact CD2-CG 4.42Å; P189-I214 HydrophobicContact CG-CD1 4.22Å; P189-I214 WeakPolarHBondContact O-CG1 3.25Å
190V98.9Very high98.9Very high2 Ų231.9 Ų31.91%0.01218%0.18CC..  trans-85.7-17.5-178.2-58.30000112.8L12 D14 L116 L166 K188 V215L12-V190 HydrophobicContact CB-CB 4.15Å; L12-V190 HydrophobicContact CB-CG2 4.38Å; L12-V190 HydrophobicContact CD1-CG2 4.1Å; L12-V190 HydrophobicContact CD2-CB 4.1Å; L12-V190 HydrophobicContact CD2-CG2 3.94Å; L12-V190 HydrophobicContact CG-CG2 4.37Å; D14-V190 HydrophobicContact CB-CG1 3.79Å; L116-V190 HydrophobicContact CD1-CG2 4.22Å; L166-V190 WeakPolarHBondContact O-CG2 3.45Å; L166-V190 PolarHBondContact O-N 2.88Å; K188-V190 PolarHBondContact O-N 2.89Å; V190-V215 PolarHBondContact O-N 3.47Å
191S98.9Very high98.9Very high0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-145.6152-177.765.80000112.8G167 V168 V215G167-S191 WeakPolarHBondContact CA-O 3.42Å; V168-S191 PolarHBondContact N-O 2.93Å; S191-V215 CarbonylContact C-O 3.56Å; S191-V215 WeakPolarHBondContact CA-O 3Å; S191-V215 WeakPolarHBondContact CB-O 3.38Å
192N98.9Very high98.8Very high0 Ų025.1 Ų25.10%014%0.144CC..EExtended strand (participates in β ladder)trans-127.2113.8165.9-175.216.8000109.7V168 F171 L176 V194 I214 V215 I216 I217V168-N192 HydrophobicContact CG2-CB 4.03Å; V168-N192 CarbonylContact O-C 3.53Å; V168-N192 VanDerWaalsContact O-CA 3.3Å; V168-N192 WeakPolarHBondContact O-CA 3.37Å; F171-N192 PolarHBondContact N-OD1 3.21Å; F171-N192 PolarHBondContact O-ND2 3.49Å; L176-N192 HydrophobicContact CD2-CB 4.48Å; N192-V194 WeakPolarHBondContact OD1-CG1 3.42Å; N192-I214 HydrophobicContact CB-CG2 4.06Å; N192-V215 PolarHBondContact N-O 3.32Å; N192-I216 HydrophobicContact CB-CD1 4.08Å; N192-I216 WeakPolarHBondContact O-CA 3.31Å; N192-I217 PolarHBondContact O-N 3.26Å
193Q98.9Very high98.8Very high5 Ų527.8 Ų27.82%0.02316%0.162CC..EExtended strand (participates in β ladder)trans-86.7115.8178.9-167.6-177.1110.700110.3D53 I118 V168 S169 N170 I217 Y219 I271D53-Q193 PolarHBondContact OD2-NE2 3.07Å; I118-Q193 HydrophobicContact CD1-CB 4Å; V168-Q193 PolarHBondContact O-N 3.26Å; S169-Q193 CarbonylContact C-O 3.53Å; S169-Q193 WeakPolarHBondContact CA-O 3.2Å; S169-Q193 PolarHBondContact OG-O 3.35Å; N170-Q193 PolarHBondContact N-O 2.84Å; Q193-I217 CarbonylContact C-O 3.55Å; Q193-I217 VanDerWaalsContact CA-O 3.23Å; Q193-I217 WeakPolarHBondContact CA-O 3.46Å; Q193-I217 HydrophobicContact CB-CB 4.03Å; Q193-I217 HydrophobicContact CG-CB 3.87Å; Q193-I217 HydrophobicContact CG-CG2 3.87Å; Q193-I217 WeakPolarHBondContact CG-O 3.43Å; Q193-Y219 HydrophobicContact CG-CD1 4.12Å; Q193-I271 HydrophobicContact CG-CD1 4.23Å
194V98.9Very high98.9Very high3 Ų326.8 Ų26.82%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-141160.9-174.7-64.40000111.9N192 C196 Q202 L205 I216 I217 A218 Y219N192-V194 WeakPolarHBondContact OD1-CG1 3.42Å; V194-C196 PolarHBondContact O-N 2.94Å; V194-Q202 HydrophobicContact CG2-CG 4.2Å; V194-Q202 VanDerWaalsContact CG2-NE2 3.35Å; V194-L205 HydrophobicContact CG1-CD2 4.06Å; V194-L205 HydrophobicContact CG2-CD2 4.3Å; V194-I216 HydrophobicContact CG2-CD1 4.02Å; V194-I216 HydrophobicContact CG2-CG2 3.84Å; V194-I217 PolarHBondContact N-O 3.07Å; V194-A218 WeakPolarHBondContact O-CA 3.24Å; V194-Y219 VanDerWaalsContact CA-CD1 3.44Å; V194-Y219 PolarHBondContact O-N 2.97Å
195E98.9Very high98.9Very high0 Ų023.4 Ų23.40%011%0.111CC..EExtended strand (participates in β ladder)trans-58.9123.5170.6-172.7-176.6150.500108.4H197 F200 Q202 Y219 R307 F308 V309E195-H197 WeakPolarHBondContact CG-NE2 3.43Å; E195-H197 IonicContact OE1-CE1 3.93Å; E195-H197 PolarHBondContact OE1-CE1 2.96Å; E195-H197 VanDerWaalsContact OE1-CE1 3.27Å; E195-H197 IonicContact OE1-NE2 3.67Å; E195-H197 PolarHBondContact OE1-NE2 3.35Å; E195-F200 HydrophobicContact CB-CD1 4.4Å; E195-F200 HydrophobicContact CG-CD1 4.44Å; E195-Q202 WeakPolarHBondContact O-CG 3.35Å; E195-Q202 PolarHBondContact O-NE2 3.01Å; E195-Y219 HydrophobicContact CB-CD2 4.21Å; E195-Y219 HydrophobicContact CB-CE1 4.49Å; E195-Y219 HydrophobicContact CB-CE2 3.47Å; E195-Y219 VanDerWaalsContact CB-CE2 3.47Å; E195-Y219 HydrophobicContact CG-CE2 4.14Å; E195-R307 WeakPolarHBondContact OE1-CA 3.42Å; E195-R307 WeakPolarHBondContact OE2-CB 3.33Å; E195-F308 PolarHBondContact OE1-N 3.11Å; E195-F308 PolarHBondContact OE2-N 2.96Å; E195-V309 WeakPolarHBondContact OE2-CB 3.4Å; E195-V309 PolarHBondContact OE2-N 3.44Å
196C98.9Very high98.9Very high0 Ų021.8 Ų21.80%010%0.102CC..  trans-155.5119.5-179.7-177.70000112.1V194 F200 Q202 A218 Y219 N263 R266V194-C196 PolarHBondContact O-N 2.94Å; C196-F200 WeakPolarHBondContact CA-O 3.45Å; C196-Q202 HydrophobicContact CB-CG 4.03Å; C196-A218 HydrophobicContact CB-CB 3.65Å; C196-A218 WeakPolarHBondContact O-CB 3.38Å; C196-Y219 PolarHBondContact N-O 3.06Å; C196-N263 PolarHBondContact O-ND2 3.18Å; C196-N263 PolarHBondContact SG-OD1 2.94Å; C196-R266 PolarHBondContact SG-NH2 3.01Å
197H98.9Very high98.9Very high0 Ų022.4 Ų22.40%011%0.105CC..BIsolated β-bridgetrans-166.8175.3179.94759.7000109.7E195 Y199 F200 T201 S220 L238 F308E195-H197 WeakPolarHBondContact CG-NE2 3.43Å; E195-H197 IonicContact OE1-CE1 3.93Å; E195-H197 PolarHBondContact OE1-CE1 2.96Å; E195-H197 VanDerWaalsContact OE1-CE1 3.27Å; E195-H197 IonicContact OE1-NE2 3.67Å; E195-H197 PolarHBondContact OE1-NE2 3.35Å; H197-Y199 PolarHBondContact O-N 3.07Å; H197-F200 PolarHBondContact N-O 3.27Å; H197-F200 VanDerWaalsContact N-O 3.12Å; H197-F200 PolarHBondContact ND1-N 3.36Å; H197-F200 CarbonylContact O-C 3.39Å; H197-F200 WeakPolarHBondContact O-CA 3.34Å; H197-F200 PolarHBondContact O-N 3.42Å; H197-T201 PolarHBondContact O-N 3.32Å; H197-S220 PolarHBondContact CD2-O 2.98Å; H197-S220 VanDerWaalsContact CD2-O 3.26Å; H197-L238 HydrophobicContact CB-CD2 3.78Å; H197-F308 AromaticContact CE1-CD2 3.55Å; H197-F308 AromaticContact CE1-CE2 3.8Å; H197-F308 AromaticContact NE2-CD2 3.37Å; H197-F308 WeakPolarHBondContact NE2-CD2 3.4Å; H197-F308 AromaticContact NE2-CE2 3.94Å
198P98.9Very high98.9Very high0 Ų019.8 Ų19.80%010%0.095CC..THydrogen-bonded Turntrans-55.2-30.2-175.4-3238.7000116.3F200 T201 L238 L244 V259 F262 I299 L302 N303P198-F200 VanDerWaalsContact C-N 3.34Å; P198-T201 VanDerWaalsContact O-CG2 3.32Å; P198-T201 WeakPolarHBondContact O-CG2 3.38Å; P198-L238 HydrophobicContact CB-CD1 4.18Å; P198-L238 HydrophobicContact CG-CD1 4.48Å; P198-L244 HydrophobicContact CB-CD1 4.48Å; P198-L244 HydrophobicContact CG-CD1 4.38Å; P198-L244 HydrophobicContact CG-CD2 4.28Å; P198-V259 HydrophobicContact CG-CB 4.04Å; P198-V259 HydrophobicContact CG-CG1 3.68Å; P198-F262 HydrophobicContact CG-CD1 4.06Å; P198-F262 HydrophobicContact CG-CE1 4.41Å; P198-I299 HydrophobicContact CB-CG2 3.72Å; P198-I299 HydrophobicContact CG-CG2 3.49Å; P198-I299 VanDerWaalsContact CG-CG2 3.49Å; P198-L302 HydrophobicContact CB-CB 4.14Å; P198-L302 HydrophobicContact CB-CD1 4.08Å; P198-L302 CarbonylContact O-C 3.48Å; P198-N303 WeakPolarHBondContact O-CA 3.41Å; P198-N303 PolarHBondContact O-N 3.19Å
199Y98.9Very high98.9Very high6 Ų616.8 Ų16.82%0.0248%0.082CC..THydrogen-bonded Turntrans-79.8-12.9174-70.6-9.6000115.2H197 P236 L238 D241 L302 N303 K304 N305 F308H197-Y199 PolarHBondContact O-N 3.07Å; Y199-P236 HydrophobicContact CE2-CG 4.1Å; Y199-P236 WeakPolarHBondContact CE2-O 3.13Å; Y199-L238 HydrophobicContact CD1-CD1 3.84Å; Y199-L238 HydrophobicContact CD2-CB 4.36Å; Y199-L238 HydrophobicContact CD2-CD1 3.79Å; Y199-L238 HydrophobicContact CE1-CD1 4.09Å; Y199-L238 HydrophobicContact CE2-CB 4.34Å; Y199-L238 HydrophobicContact CE2-CD1 4.02Å; Y199-L238 HydrophobicContact CG-CD1 3.7Å; Y199-D241 HydrophobicContact CE1-CB 4.38Å; Y199-D241 WeakPolarHBondContact CE1-OD2 3.38Å; Y199-D241 WeakPolarHBondContact OH-CB 3.44Å; Y199-D241 PolarHBondContact OH-OD2 3.24Å; Y199-L302 HydrophobicContact CD1-CB 4.29Å; Y199-L302 WeakPolarHBondContact CD1-O 3.46Å; Y199-L302 HydrophobicContact CE1-CB 4.46Å; Y199-N303 PolarHBondContact O-OD1 2.81Å; Y199-K304 HydrophobicContact CD1-CD 4.02Å; Y199-K304 HydrophobicContact CD1-CG 4.22Å; Y199-K304 HydrophobicContact CD2-CD 4.2Å; Y199-K304 HydrophobicContact CE1-CD 4.31Å; Y199-K304 VanDerWaalsContact CE2-NZ 3.35Å; Y199-K304 HydrophobicContact CG-CD 3.95Å; Y199-K304 HydrophobicContact CG-CG 4.32Å; Y199-K304 PolarHBondContact O-N 2.85Å; Y199-K304 PolarHBondContact OH-NZ 2.95Å; Y199-N305 PolarHBondContact O-N 3.12Å; Y199-F308 HydrophobicContact CD2-CE2 4.28Å; Y199-F308 AromaticContact CD2-CZ 3.99Å; Y199-F308 HydrophobicContact CD2-CZ 3.99Å
200F98.9Very high98.9Very high6 Ų621.9 Ų21.93%0.02611%0.106CC..BIsolated β-bridgetrans-147.180.1178.8-162.8-109.3000108.9E195 C196 H197 P198 Q202 N303 N305 R307E195-F200 HydrophobicContact CB-CD1 4.4Å; E195-F200 HydrophobicContact CG-CD1 4.44Å; C196-F200 WeakPolarHBondContact CA-O 3.45Å; H197-F200 PolarHBondContact N-O 3.27Å; H197-F200 VanDerWaalsContact N-O 3.12Å; H197-F200 PolarHBondContact ND1-N 3.36Å; H197-F200 CarbonylContact O-C 3.39Å; H197-F200 WeakPolarHBondContact O-CA 3.34Å; H197-F200 PolarHBondContact O-N 3.42Å; P198-F200 VanDerWaalsContact C-N 3.34Å; F200-Q202 VanDerWaalsContact C-N 3.29Å; F200-Q202 HydrophobicContact CD1-CG 4.04Å; F200-Q202 HydrophobicContact CE1-CG 4.01Å; F200-Q202 PolarHBondContact O-N 3.32Å; F200-N303 WeakPolarHBondContact CA-OD1 3.44Å; F200-N305 WeakPolarHBondContact CE2-OD1 3.26Å; F200-R307 HydrophobicContact CD1-CG 4.04Å; F200-R307 HydrophobicContact CD2-CG 4.06Å; F200-R307 HydrophobicContact CE1-CG 3.77Å; F200-R307 HydrophobicContact CE2-CG 3.81Å; F200-R307 HydrophobicContact CG-CG 4.2Å; F200-R307 HydrophobicContact CZ-CG 3.68Å
201T98.9Very high98.9Very high6 Ų627.8 Ų27.84%0.03713%0.133CC..  trans-83.3-2.8-164.456.50000114.5H197 P198 F262 R266 N303H197-T201 PolarHBondContact O-N 3.32Å; P198-T201 VanDerWaalsContact O-CG2 3.32Å; P198-T201 WeakPolarHBondContact O-CG2 3.38Å; T201-F262 HydrophobicContact CG2-CE1 4.42Å; T201-F262 HydrophobicContact CG2-CZ 4.38Å; T201-R266 PolarHBondContact O-NH1 2.88Å; T201-R266 PolarHBondContact O-NH2 3.22Å; T201-N303 HydrophobicContact CG2-CB 3.86Å; T201-N303 PolarHBondContact N-OD1 2.94Å; T201-N303 WeakPolarHBondContact OG1-CB 3.4Å; T201-N303 PolarHBondContact OG1-OD1 3.37Å
202Q98.7Very high98.9Very high6 Ų630.8 Ų30.83%0.02815%0.147CC..  trans54.842.7178.3-63.4-8228.300114.5V194 E195 C196 F200 K204 L205 L206V194-Q202 HydrophobicContact CG2-CG 4.2Å; V194-Q202 VanDerWaalsContact CG2-NE2 3.35Å; E195-Q202 WeakPolarHBondContact O-CG 3.35Å; E195-Q202 PolarHBondContact O-NE2 3.01Å; C196-Q202 HydrophobicContact CB-CG 4.03Å; F200-Q202 VanDerWaalsContact C-N 3.29Å; F200-Q202 HydrophobicContact CD1-CG 4.04Å; F200-Q202 HydrophobicContact CE1-CG 4.01Å; F200-Q202 PolarHBondContact O-N 3.32Å; Q202-K204 PolarHBondContact O-N 3.01Å; Q202-L205 PolarHBondContact O-N 3.45Å; Q202-L206 WeakPolarHBondContact O-CB 3.17Å; Q202-L206 PolarHBondContact O-N 2.9Å
203P98.5Very high98.8Very high70 Ų7035.8 Ų35.846%0.45517%0.174SC..Hα-helixtrans-60.7-44-167.324.9-34000113.2K207P203-K207 WeakPolarHBondContact O-CB 3.18Å; P203-K207 PolarHBondContact O-N 3.21Å
204K98.8Very high98.8Very high95 Ų9535.8 Ų35.841%0.41317%0.174SC..Hα-helixtrans-73.8-46.3-177.9-65.7-175.7171.6-175.50112.1Q202 K207 F208 E325 Y326Q202-K204 PolarHBondContact O-N 3.01Å; K204-K207 PolarHBondContact O-N 3.06Å; K204-F208 PolarHBondContact O-N 3.22Å; K204-E325 HydrophobicContact CD-CG 4.44Å; K204-E325 IonicContact NZ-OE1 3.74Å; K204-E325 PolarHBondContact NZ-OE1 3.03Å; K204-E325 IonicContact NZ-OE2 3.54Å; K204-E325 PolarHBondContact NZ-OE2 3.37Å; K204-Y326 HydrophobicContact CB-CD1 3.66Å; K204-Y326 HydrophobicContact CB-CD2 3.59Å; K204-Y326 HydrophobicContact CB-CE1 4.07Å; K204-Y326 HydrophobicContact CB-CE2 3.93Å; K204-Y326 HydrophobicContact CB-CG 3.43Å; K204-Y326 VanDerWaalsContact CB-CG 3.43Å; K204-Y326 HydrophobicContact CD-CD1 3.55Å; K204-Y326 HydrophobicContact CD-CE1 3.73Å; K204-Y326 HydrophobicContact CD-CG 4.22Å; K204-Y326 HydrophobicContact CG-CD1 4.24Å; K204-Y326 HydrophobicContact CG-CE1 4.47Å; K204-Y326 HydrophobicContact CG-CG 4.45Å
205L98.9Very high98.8Very high3 Ų336.6 Ų36.62%0.01618%0.179CC..Hα-helixtrans-66.9-39.5179-175.259.2000112.1L176 V194 Q202 F208 C209 I216 Y326L176-L205 HydrophobicContact CD1-CD1 3.93Å; V194-L205 HydrophobicContact CG1-CD2 4.06Å; V194-L205 HydrophobicContact CG2-CD2 4.3Å; Q202-L205 PolarHBondContact O-N 3.45Å; L205-F208 HydrophobicContact CD1-CD1 4.49Å; L205-F208 PolarHBondContact O-N 2.99Å; L205-C209 WeakPolarHBondContact O-CB 3.29Å; L205-C209 PolarHBondContact O-N 3.5Å; L205-C209 PolarHBondContact O-SG 2.99Å; L205-I216 HydrophobicContact CG-CD1 4.42Å; L205-Y326 HydrophobicContact CB-CD2 4.49Å
206L98.8Very high98.8Very high17 Ų1736.8 Ų36.89%0.08918%0.18CC..Hα-helixtrans-61-47.9175.217859.9000110.9Q202 F208 C209 Q210 I216 V268Q202-L206 WeakPolarHBondContact O-CB 3.17Å; Q202-L206 PolarHBondContact O-N 2.9Å; L206-F208 VanDerWaalsContact C-N 3.34Å; L206-F208 PolarHBondContact O-N 3.32Å; L206-C209 PolarHBondContact O-N 3.19Å; L206-Q210 HydrophobicContact CD1-CG 4.31Å; L206-Q210 VanDerWaalsContact O-CG 3.29Å; L206-Q210 WeakPolarHBondContact O-CG 3.39Å; L206-Q210 PolarHBondContact O-N 3.45Å; L206-I216 HydrophobicContact CD1-CB 4.08Å; L206-I216 HydrophobicContact CD1-CG1 3.7Å; L206-V268 HydrophobicContact CD1-CG2 3.74Å; L206-V268 HydrophobicContact CD2-CG2 4.07Å
207K98.9Very high98.8Very high129 Ų12936.8 Ų36.856%0.56118%0.18SC*.Hα-helixtrans-59.9-44.6176.7-175.5178-178.6178.20111.8P203 K204 Q210 Q211P203-K207 WeakPolarHBondContact O-CB 3.18Å; P203-K207 PolarHBondContact O-N 3.21Å; K204-K207 PolarHBondContact O-N 3.06Å; K207-Q210 PolarHBondContact O-N 2.91Å; K207-Q211 VanDerWaalsContact O-CG 3.32Å; K207-Q211 WeakPolarHBondContact O-CG 3.33Å; K207-Q211 PolarHBondContact O-N 2.9Å
208F98.9Very high98.8Very high4 Ų436.8 Ų36.82%0.01818%0.18CC..Hα-helixtrans-59.5-48.8175.6175.6-93.5000111.2R173 L176 E177 L180 K204 L205 L206 Q210 Q211 H212 Y326R173-F208 HydrophobicContact CG-CD1 4.49Å; R173-F208 HydrophobicContact CG-CD2 3.94Å; R173-F208 HydrophobicContact CG-CE1 4.39Å; R173-F208 HydrophobicContact CG-CE2 3.81Å; R173-F208 HydrophobicContact CG-CG 4.29Å; R173-F208 HydrophobicContact CG-CZ 4.06Å; L176-F208 HydrophobicContact CB-CE1 3.74Å; L176-F208 HydrophobicContact CB-CZ 4.38Å; L176-F208 HydrophobicContact CD1-CD1 3.9Å; L176-F208 HydrophobicContact CD1-CE1 3.68Å; L176-F208 HydrophobicContact CG-CE1 4.37Å; E177-F208 HydrophobicContact CG-CE2 3.91Å; E177-F208 HydrophobicContact CG-CZ 3.59Å; L180-F208 HydrophobicContact CD1-CE1 4.24Å; L180-F208 HydrophobicContact CD1-CZ 3.98Å; K204-F208 PolarHBondContact O-N 3.22Å; L205-F208 HydrophobicContact CD1-CD1 4.49Å; L205-F208 PolarHBondContact O-N 2.99Å; L206-F208 VanDerWaalsContact C-N 3.34Å; L206-F208 PolarHBondContact O-N 3.32Å; F208-Q210 VanDerWaalsContact C-N 3.33Å; F208-Q210 PolarHBondContact O-N 3.46Å; F208-Q211 WeakPolarHBondContact O-CB 3.42Å; F208-Q211 PolarHBondContact O-N 3.14Å; F208-Q211 VanDerWaalsContact O-N 3.15Å; F208-H212 AromaticContact CD2-CD2 3.89Å; F208-H212 AromaticContact CD2-NE2 3.96Å; F208-H212 AromaticContact CE1-CD2 3.8Å; F208-H212 AromaticContact CE2-CD2 3.49Å; F208-H212 VanDerWaalsContact CE2-CD2 3.49Å; F208-H212 WeakPolarHBondContact CE2-CD2 3.37Å; F208-H212 AromaticContact CE2-NE2 3.3Å; F208-H212 VanDerWaalsContact CE2-NE2 3.3Å; F208-H212 WeakPolarHBondContact CE2-NE2 3.37Å; F208-H212 AromaticContact CZ-CD2 3.43Å; F208-H212 VanDerWaalsContact CZ-CD2 3.43Å; F208-H212 WeakPolarHBondContact CZ-CD2 3.45Å; F208-H212 AromaticContact CZ-NE2 3.53Å; F208-H212 PolarHBondContact O-CD2 3.36Å; F208-H212 VanDerWaalsContact O-CD2 3.24Å; F208-H212 PolarHBondContact O-N 2.7Å; F208-Y326 HydrophobicContact CB-CE2 4.49Å
209C98.9Very high98.8Very high0 Ų038 Ų380%018%0.184CC..Hα-helixtrans-60.7-41.5179.2-70.60000111.9L205 L206 Q211 H212 D213 I214 I216L205-C209 WeakPolarHBondContact O-CB 3.29Å; L205-C209 PolarHBondContact O-N 3.5Å; L205-C209 PolarHBondContact O-SG 2.99Å; L206-C209 PolarHBondContact O-N 3.19Å; C209-Q211 PolarHBondContact O-N 3.32Å; C209-H212 CarbonylContact O-C 3.55Å; C209-H212 PolarHBondContact O-N 2.75Å; C209-D213 PolarHBondContact O-N 3.34Å; C209-D213 VanDerWaalsContact O-N 3.11Å; C209-I214 CarbonylContact C-O 3.49Å; C209-I214 HydrophobicContact CB-CB 3.85Å; C209-I214 HydrophobicContact CB-CG2 4.22Å; C209-I214 WeakPolarHBondContact CB-O 3.41Å; C209-I214 PolarHBondContact O-N 3.42Å; C209-I216 HydrophobicContact CB-CD1 4.02Å; C209-I216 HydrophobicContact CB-CG1 4.09Å; C209-I216 VanDerWaalsContact SG-CD1 3.52Å
210Q98.7Very high98.8Very high107 Ų10739 Ų3950%0.519%0.193SC..Hα-helixtrans-61-40174.9-73.1169-18.100112.8L206 K207 F208 H212 D213L206-Q210 HydrophobicContact CD1-CG 4.31Å; L206-Q210 VanDerWaalsContact O-CG 3.29Å; L206-Q210 WeakPolarHBondContact O-CG 3.39Å; L206-Q210 PolarHBondContact O-N 3.45Å; K207-Q210 PolarHBondContact O-N 2.91Å; F208-Q210 VanDerWaalsContact C-N 3.33Å; F208-Q210 PolarHBondContact O-N 3.46Å; Q210-H212 PolarHBondContact O-N 3.29Å; Q210-D213 PolarHBondContact O-N 3.34Å
211Q98.8Very high98.8Very high127 Ų12738.8 Ų38.859%0.59319%0.192SC*.Hα-helixtrans-64-18.5175.9-71.3171.4-24.700113.3K207 F208 C209K207-Q211 VanDerWaalsContact O-CG 3.32Å; K207-Q211 WeakPolarHBondContact O-CG 3.33Å; K207-Q211 PolarHBondContact O-N 2.9Å; F208-Q211 WeakPolarHBondContact O-CB 3.42Å; F208-Q211 PolarHBondContact O-N 3.14Å; F208-Q211 VanDerWaalsContact O-N 3.15Å; C209-Q211 PolarHBondContact O-N 3.32Å
212H98.8Very high98.8Very high63 Ų6339.9 Ų39.929%0.29220%0.197SC..THydrogen-bonded Turntrans-11515-179.3-68.5-72.8000112.9L180 K188 F208 C209 Q210 I214L180-H212 HydrophobicContact CD1-CB 4.25Å; K188-H212 WeakPolarHBondContact CE-O 3.31Å; K188-H212 PolarHBondContact NZ-O 3.05Å; F208-H212 AromaticContact CD2-CD2 3.89Å; F208-H212 AromaticContact CD2-NE2 3.96Å; F208-H212 AromaticContact CE1-CD2 3.8Å; F208-H212 AromaticContact CE2-CD2 3.49Å; F208-H212 VanDerWaalsContact CE2-CD2 3.49Å; F208-H212 WeakPolarHBondContact CE2-CD2 3.37Å; F208-H212 AromaticContact CE2-NE2 3.3Å; F208-H212 VanDerWaalsContact CE2-NE2 3.3Å; F208-H212 WeakPolarHBondContact CE2-NE2 3.37Å; F208-H212 AromaticContact CZ-CD2 3.43Å; F208-H212 VanDerWaalsContact CZ-CD2 3.43Å; F208-H212 WeakPolarHBondContact CZ-CD2 3.45Å; F208-H212 AromaticContact CZ-NE2 3.53Å; F208-H212 PolarHBondContact O-CD2 3.36Å; F208-H212 VanDerWaalsContact O-CD2 3.24Å; F208-H212 PolarHBondContact O-N 2.7Å; C209-H212 CarbonylContact O-C 3.55Å; C209-H212 PolarHBondContact O-N 2.75Å; Q210-H212 PolarHBondContact O-N 3.29Å; H212-I214 HydrophobicContact CB-CD1 4.05Å; H212-I214 HydrophobicContact CB-CG1 3.97Å; H212-I214 WeakPolarHBondContact O-CG1 3.24Å; H212-I214 PolarHBondContact O-N 3.02Å
213D98.8Very high98.8Very high105 Ų10539.7 Ų39.756%0.56120%0.197SC*.THydrogen-bonded Turntrans49.441.6-175.6-41.7-64.3000113.6S13 K188 C209 Q210S13-D213 VanDerWaalsContact CB-O 3.29Å; S13-D213 WeakPolarHBondContact CB-O 3.34Å; S13-D213 PolarHBondContact OG-O 2.94Å; K188-D213 IonicContact NZ-OD2 3.93Å; K188-D213 PolarHBondContact NZ-OD2 3.05Å; C209-D213 PolarHBondContact O-N 3.34Å; C209-D213 VanDerWaalsContact O-N 3.11Å; Q210-D213 PolarHBondContact O-N 3.34Å
214I98.9Very high98.8Very high5 Ų537.5 Ų37.53%0.02618%0.182CC..PPolyproline II helixtrans-103.4122.8174.7-54.4-175.8000107.7L176 L180 P189 N192 C209 H212L176-I214 HydrophobicContact CD2-CD1 4.21Å; L180-I214 HydrophobicContact CD1-CD1 4.34Å; L180-I214 HydrophobicContact CD2-CD1 4.42Å; P189-I214 HydrophobicContact CG-CD1 4.22Å; P189-I214 WeakPolarHBondContact O-CG1 3.25Å; N192-I214 HydrophobicContact CB-CG2 4.06Å; C209-I214 CarbonylContact C-O 3.49Å; C209-I214 HydrophobicContact CB-CB 3.85Å; C209-I214 HydrophobicContact CB-CG2 4.22Å; C209-I214 WeakPolarHBondContact CB-O 3.41Å; C209-I214 PolarHBondContact O-N 3.42Å; H212-I214 HydrophobicContact CB-CD1 4.05Å; H212-I214 HydrophobicContact CB-CG1 3.97Å; H212-I214 WeakPolarHBondContact O-CG1 3.24Å; H212-I214 PolarHBondContact O-N 3.02Å
215V98.9Very high98.8Very high20 Ų2037 Ų3712%0.12119%0.191CC..EExtended strand (participates in β ladder)trans-81.4125.7177.1174.30000109.9I10 L12 V190 S191 N192 V269I10-V215 HydrophobicContact CD1-CG1 3.92Å; I10-V215 HydrophobicContact CD1-CG2 4.43Å; L12-V215 HydrophobicContact CD2-CB 4.2Å; L12-V215 HydrophobicContact CD2-CG2 3.99Å; V190-V215 PolarHBondContact O-N 3.47Å; S191-V215 CarbonylContact C-O 3.56Å; S191-V215 WeakPolarHBondContact CA-O 3Å; S191-V215 WeakPolarHBondContact CB-O 3.38Å; N192-V215 PolarHBondContact N-O 3.32Å; V215-V269 HydrophobicContact CG1-CG2 3.54Å
216I98.9Very high98.7Very high3 Ų340 Ų402%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-74.9131.1168.6-67.5-63.2000109.4N192 V194 L205 L206 C209 V268 V269N192-I216 HydrophobicContact CB-CD1 4.08Å; N192-I216 WeakPolarHBondContact O-CA 3.31Å; V194-I216 HydrophobicContact CG2-CD1 4.02Å; V194-I216 HydrophobicContact CG2-CG2 3.84Å; L205-I216 HydrophobicContact CG-CD1 4.42Å; L206-I216 HydrophobicContact CD1-CB 4.08Å; L206-I216 HydrophobicContact CD1-CG1 3.7Å; C209-I216 HydrophobicContact CB-CD1 4.02Å; C209-I216 HydrophobicContact CB-CG1 4.09Å; C209-I216 VanDerWaalsContact SG-CD1 3.52Å; I216-V268 HydrophobicContact CB-CG1 4.37Å; I216-V268 HydrophobicContact CB-CG2 4.36Å; I216-V268 HydrophobicContact CG2-CG1 3.88Å; I216-V268 HydrophobicContact CG2-CG2 4.48Å; I216-V269 PolarHBondContact O-N 2.72Å
217I98.9Very high98.7Very high0 Ų040.2 Ų40.20%020%0.203CC..EExtended strand (participates in β ladder)trans-107.4111.6167.6-53.6172.5000107.8I18 L116 N192 Q193 V194 Y219 V269 I271I18-I217 HydrophobicContact CD1-CD1 3.75Å; I18-I217 HydrophobicContact CD1-CG1 4.3Å; L116-I217 HydrophobicContact CD2-CD1 3.79Å; N192-I217 PolarHBondContact O-N 3.26Å; Q193-I217 CarbonylContact C-O 3.55Å; Q193-I217 VanDerWaalsContact CA-O 3.23Å; Q193-I217 WeakPolarHBondContact CA-O 3.46Å; Q193-I217 HydrophobicContact CB-CB 4.03Å; Q193-I217 HydrophobicContact CG-CB 3.87Å; Q193-I217 HydrophobicContact CG-CG2 3.87Å; Q193-I217 WeakPolarHBondContact CG-O 3.43Å; V194-I217 PolarHBondContact N-O 3.07Å; I217-Y219 PolarHBondContact O-N 3.28Å; I217-Y219 VanDerWaalsContact O-N 3.14Å; I217-V269 CarbonylContact C-O 3.39Å; I217-V269 HydrophobicContact CB-CB 4.29Å; I217-V269 HydrophobicContact CG1-CB 3.99Å; I217-V269 HydrophobicContact CG1-CG1 4.29Å; I217-V269 HydrophobicContact CG1-CG2 4.38Å; I217-V269 HydrophobicContact CG2-CB 4.19Å; I217-V269 HydrophobicContact CG2-CG1 3.99Å; I217-I271 HydrophobicContact CG2-CD1 4.05Å; I217-I271 HydrophobicContact CG2-CG1 4.05Å; I217-I271 HydrophobicContact CG2-CG2 4.04Å
218A98.9Very high98.5Very high0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-72.4101.2177.100000110.8V194 C196 P221 V268 V269 V270 I271V194-A218 WeakPolarHBondContact O-CA 3.24Å; C196-A218 HydrophobicContact CB-CB 3.65Å; C196-A218 WeakPolarHBondContact O-CB 3.38Å; A218-P221 HydrophobicContact CB-CB 4.18Å; A218-P221 WeakPolarHBondContact O-CD 3.17Å; A218-V268 HydrophobicContact CB-CG1 3.71Å; A218-V269 WeakPolarHBondContact CB-O 3.2Å; A218-V269 PolarHBondContact N-O 2.83Å; A218-V270 HydrophobicContact CB-CG1 4.31Å; A218-I271 VanDerWaalsContact O-CG1 3.27Å; A218-I271 WeakPolarHBondContact O-CG1 3.26Å; A218-I271 PolarHBondContact O-N 3.43Å
219Y98.9Very high98.3Very high25 Ų2544.4 Ų44.410%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-77.5157.2161.577.3-117.8000110.3N170 Q193 V194 E195 C196 I217 P221 V309N170-Y219 WeakPolarHBondContact OD1-CE1 3.4Å; N170-Y219 PolarHBondContact OD1-OH 3.16Å; Q193-Y219 HydrophobicContact CG-CD1 4.12Å; V194-Y219 VanDerWaalsContact CA-CD1 3.44Å; V194-Y219 PolarHBondContact O-N 2.97Å; E195-Y219 HydrophobicContact CB-CD2 4.21Å; E195-Y219 HydrophobicContact CB-CE1 4.49Å; E195-Y219 HydrophobicContact CB-CE2 3.47Å; E195-Y219 VanDerWaalsContact CB-CE2 3.47Å; E195-Y219 HydrophobicContact CG-CE2 4.14Å; C196-Y219 PolarHBondContact N-O 3.06Å; I217-Y219 PolarHBondContact O-N 3.28Å; I217-Y219 VanDerWaalsContact O-N 3.14Å; Y219-P221 VanDerWaalsContact C-N 3.27Å; Y219-V309 HydrophobicContact CE2-CB 4.23Å; Y219-V309 HydrophobicContact CE2-CG2 4.05Å
220S98.8Very high98.1Very high28 Ų2846.5 Ų46.520%0.19624%0.244CC..SBendtrans49.939.7-173.6-67.30000114H197 L222 G223H197-S220 PolarHBondContact CD2-O 2.98Å; H197-S220 VanDerWaalsContact CD2-O 3.26Å; S220-L222 PolarHBondContact O-N 2.87Å; S220-G223 PolarHBondContact O-N 2.9Å
221P98.9Very high98Very high2 Ų241.9 Ų41.91%0.01322%0.223CC..THydrogen-bonded Turntrans-65.1-15.3-169.530.3-36.8000113.5A218 Y219 V259 L260 V270 P272A218-P221 HydrophobicContact CB-CB 4.18Å; A218-P221 WeakPolarHBondContact O-CD 3.17Å; Y219-P221 VanDerWaalsContact C-N 3.27Å; P221-V259 WeakPolarHBondContact O-CG2 3.27Å; P221-L260 HydrophobicContact CB-CD2 4.02Å; P221-L260 HydrophobicContact CG-CD2 4.02Å; P221-V270 HydrophobicContact CB-CB 4.14Å; P221-V270 HydrophobicContact CB-CG1 4.19Å; P221-V270 HydrophobicContact CG-CB 4.27Å; P221-P272 HydrophobicContact CG-CB 4.13Å
222L98.9Very high97.8Very high28 Ų2838 Ų3815%0.14721%0.207CC..THydrogen-bonded Turntrans-96.39.4175.7-59.2-178.1000113.7S220 L239 A256 V259 L260 P272S220-L222 PolarHBondContact O-N 2.87Å; L222-L239 HydrophobicContact CB-CD1 4.47Å; L222-L239 HydrophobicContact CD2-CD2 4.43Å; L222-A256 HydrophobicContact CD2-CB 3.85Å; L222-V259 HydrophobicContact CD2-CG2 3.63Å; L222-L260 HydrophobicContact CD2-CD1 4.03Å; L222-L260 HydrophobicContact CD2-CD2 3.89Å; L222-L260 HydrophobicContact CD2-CG 3.76Å; L222-L260 HydrophobicContact CG-CD2 4.48Å; L222-P272 HydrophobicContact CD1-CB 3.79Å; L222-P272 HydrophobicContact CG-CB 4.03Å
223G98.6Very high97.6Very high2 Ų238.7 Ų38.72%0.02122%0.215CC..SBendtrans77.538.7-178.300000113.5S220S220-G223 PolarHBondContact O-N 2.9Å
224T98.6Very high97.4Very high25 Ų2538.3 Ų38.315%0.15322%0.221CC..  trans67.3175.7175.679.10000115.6R226 W230 V231 F308 V309T224-R226 WeakPolarHBondContact OG1-CA 3.2Å; T224-R226 PolarHBondContact OG1-N 3.09Å; T224-W230 HydrophobicContact CG2-CH2 3.98Å; T224-W230 HydrophobicContact CG2-CZ3 3.55Å; T224-V231 HydrophobicContact CG2-CG2 4.05Å; T224-V231 WeakPolarHBondContact OG1-CG2 2.99Å; T224-F308 HydrophobicContact CG2-CB 3.51Å; T224-F308 HydrophobicContact CG2-CD2 4.25Å; T224-F308 HydrophobicContact CG2-CG 4.09Å; T224-V309 HydrophobicContact CG2-CG2 3.87Å
225S97.8Very high97.3Very high85 Ų8538.4 Ų38.459%0.59422%0.222SC*.  trans-82-2.6165.6660000113.4N227 W230S225-N227 VanDerWaalsContact C-N 3.27Å; S225-N227 PolarHBondContact O-N 3.14Å; S225-W230 WeakPolarHBondContact OG-CZ2 3.29Å
226R98Very high97.2Very high65 Ų6540.4 Ų40.425%0.24524%0.235CC..  trans61.625.2-176.2-55-171.761.981.9-2.4115.4T224 V233 S235 F308T224-R226 WeakPolarHBondContact OG1-CA 3.2Å; T224-R226 PolarHBondContact OG1-N 3.09Å; R226-V233 PolarHBondContact NH2-O 3.35Å; R226-V233 VanDerWaalsContact NH2-O 3.1Å; R226-S235 PolarHBondContact NH1-O 2.64Å; R226-S235 PolarHBondContact NH2-O 3.05Å; R226-F308 VanDerWaalsContact NH1-CE1 3.27Å
227N96.9Very high97.2Very high21 Ų2142.8 Ų42.811%0.11225%0.251CS..  trans-64123.1174.2179-35.6000110.1E28 S225 I229 W230 V231E28-N227 PolarHBondContact OE1-ND2 2.88Å; S225-N227 VanDerWaalsContact C-N 3.27Å; S225-N227 PolarHBondContact O-N 3.14Å; N227-I229 PolarHBondContact O-N 3.27Å; N227-I229 VanDerWaalsContact O-N 3.1Å; N227-I229 VanDerWaalsContact OD1-CB 3.27Å; N227-I229 WeakPolarHBondContact OD1-CB 3.26Å; N227-I229 VanDerWaalsContact OD1-CG1 3.26Å; N227-I229 WeakPolarHBondContact OD1-CG1 3.15Å; N227-I229 PolarHBondContact OD1-N 3.28Å; N227-W230 HydrophobicContact CB-CZ2 4.14Å; N227-W230 PolarHBondContact O-N 3.3Å; N227-V231 VanDerWaalsContact O-CB 3.24Å; N227-V231 WeakPolarHBondContact O-CB 3.42Å; N227-V231 VanDerWaalsContact O-CG2 3.31Å; N227-V231 WeakPolarHBondContact O-CG2 3.33Å; N227-V231 PolarHBondContact O-N 3.39Å
228P95.8Very high97.2Very high103 Ų10342.9 Ų42.967%0.66925%0.252SS*.THydrogen-bonded Turntrans-66.8-12.7-172.128.1-36.4000114.4W230 V233P228-W230 VanDerWaalsContact C-N 3.29Å; P228-W230 PolarHBondContact O-N 2.93Å; P228-V233 HydrophobicContact CB-CG1 4.43Å
229I94.9Very high97.2Very high118 Ų11845.8 Ų45.861%0.60527%0.266SS*.THydrogen-bonded Turntrans-63-37.2178-66.4171.4000111.5N227N227-I229 PolarHBondContact O-N 3.27Å; N227-I229 VanDerWaalsContact O-N 3.1Å; N227-I229 VanDerWaalsContact OD1-CB 3.27Å; N227-I229 WeakPolarHBondContact OD1-CB 3.26Å; N227-I229 VanDerWaalsContact OD1-CG1 3.26Å; N227-I229 WeakPolarHBondContact OD1-CG1 3.15Å; N227-I229 PolarHBondContact OD1-N 3.28Å
230W93.9Very high97.2Very high45 Ų4552.5 Ų52.517%0.1730%0.296CS..THydrogen-bonded Turntrans-132.3-12.2-172.752.9-91.5000113.6Y26 T224 S225 N227 P228 V309Y26-W230 AromaticContact CE1-CZ2 3.81Å; Y26-W230 HydrophobicContact CE1-CZ2 3.81Å; Y26-W230 PolarHBondContact OH-NE1 3.42Å; T224-W230 HydrophobicContact CG2-CH2 3.98Å; T224-W230 HydrophobicContact CG2-CZ3 3.55Å; S225-W230 WeakPolarHBondContact OG-CZ2 3.29Å; N227-W230 HydrophobicContact CB-CZ2 4.14Å; N227-W230 PolarHBondContact O-N 3.3Å; P228-W230 VanDerWaalsContact C-N 3.29Å; P228-W230 PolarHBondContact O-N 2.93Å; W230-V309 HydrophobicContact CE3-CG1 4.26Å; W230-V309 HydrophobicContact CE3-CG2 3.84Å; W230-V309 HydrophobicContact CZ3-CG2 3.66Å
231V97Very high97.2Very high9 Ų952.2 Ų52.26%0.05529%0.292CS..SBendtrans-92.1132.6179.4-178.90000111.7T224 N227 V233 F308T224-V231 HydrophobicContact CG2-CG2 4.05Å; T224-V231 WeakPolarHBondContact OG1-CG2 2.99Å; N227-V231 VanDerWaalsContact O-CB 3.24Å; N227-V231 WeakPolarHBondContact O-CB 3.42Å; N227-V231 VanDerWaalsContact O-CG2 3.31Å; N227-V231 WeakPolarHBondContact O-CG2 3.33Å; N227-V231 PolarHBondContact O-N 3.39Å; V231-V233 VanDerWaalsContact C-N 3.34Å; V231-V233 HydrophobicContact CB-CG1 4.46Å; V231-V233 HydrophobicContact CG1-CG1 4.37Å; V231-V233 PolarHBondContact O-N 3.23Å; V231-F308 CarbonylContact C-O 2.98Å; V231-F308 VanDerWaalsContact CA-O 3.26Å; V231-F308 WeakPolarHBondContact CA-O 3.27Å; V231-F308 HydrophobicContact CG1-CB 4.13Å; V231-F308 HydrophobicContact CG1-CD1 3.97Å; V231-F308 HydrophobicContact CG1-CG 4.39Å
232N94.5Very high97.2Very high46 Ų4656 Ų5625%0.24632%0.324CS..  trans-68.689.3162.3179.814.6000110.5S234 S235 F308 P310N232-S234 VanDerWaalsContact CG-OG 3.31Å; N232-S234 PolarHBondContact ND2-OG 2.86Å; N232-S234 PolarHBondContact O-N 3.13Å; N232-S234 WeakPolarHBondContact OD1-CB 3.43Å; N232-S234 PolarHBondContact OD1-N 3.47Å; N232-S234 PolarHBondContact OD1-OG 2.8Å; N232-S235 PolarHBondContact O-N 2.8Å; N232-F308 PolarHBondContact N-O 3.24Å; N232-P310 HydrophobicContact CB-CG 4.27Å
233V95Very high97.2Very high78 Ų7857.1 Ų57.147%0.47333%0.33SS..THydrogen-bonded Turntrans-70.8-9.5-177.6-64.20000114R226 P228 V231 S235R226-V233 PolarHBondContact NH2-O 3.35Å; R226-V233 VanDerWaalsContact NH2-O 3.1Å; P228-V233 HydrophobicContact CB-CG1 4.43Å; V231-V233 VanDerWaalsContact C-N 3.34Å; V231-V233 HydrophobicContact CB-CG1 4.46Å; V231-V233 HydrophobicContact CG1-CG1 4.37Å; V231-V233 PolarHBondContact O-N 3.23Å; V233-S235 PolarHBondContact O-N 3.03Å
234S95.3Very high97.2Very high96 Ų9657 Ų5767%0.67133%0.329SS*.THydrogen-bonded Turntrans-64.1-29.1175.471.60000112.6N232N232-S234 VanDerWaalsContact CG-OG 3.31Å; N232-S234 PolarHBondContact ND2-OG 2.86Å; N232-S234 PolarHBondContact O-N 3.13Å; N232-S234 WeakPolarHBondContact OD1-CB 3.43Å; N232-S234 PolarHBondContact OD1-N 3.47Å; N232-S234 PolarHBondContact OD1-OG 2.8Å
235S95.6Very high97.2Very high8 Ų858.9 Ų58.96%0.05634%0.338CS..SBendtrans-77.5132.9174.4-178.50000110R226 N232 V233 F308R226-S235 PolarHBondContact NH1-O 2.64Å; R226-S235 PolarHBondContact NH2-O 3.05Å; N232-S235 PolarHBondContact O-N 2.8Å; V233-S235 PolarHBondContact O-N 3.03Å; S235-F308 VanDerWaalsContact CB-CE1 3.44Å; S235-F308 WeakPolarHBondContact OG-CE1 3.24Å
236P97.4Very high97.2Very high62 Ų6257.2 Ų57.240%0.40333%0.326SS..PPolyproline II helixtrans-63.4155.4-17526.4-35000111.5Y199 L238 F308Y199-P236 HydrophobicContact CE2-CG 4.1Å; Y199-P236 WeakPolarHBondContact CE2-O 3.13Å; P236-L238 PolarHBondContact O-N 2.75Å; P236-F308 WeakPolarHBondContact O-CZ 3.46Å
237P98.6Very high97.3Very high53 Ų5354.1 Ų54.134%0.34432%0.315SS..PPolyproline II helixtrans-58.3121.8178.3-21.131.7000111.8L239 K240P237-L239 VanDerWaalsContact C-N 3.32Å; P237-L239 PolarHBondContact O-N 3.01Å; P237-K240 HydrophobicContact CB-CB 4.23Å; P237-K240 HydrophobicContact CB-CG 3.91Å; P237-K240 HydrophobicContact CG-CG 4.46Å; P237-K240 PolarHBondContact O-N 3.11Å
238L98.8Very high97.4Very high2 Ų253.2 Ų53.21%0.0131%0.31CS..G310 helixtrans-54.3-47-177.9177.468.3000112.2H197 P198 Y199 P236 K240 D241 L244 V259 F308H197-L238 HydrophobicContact CB-CD2 3.78Å; P198-L238 HydrophobicContact CB-CD1 4.18Å; P198-L238 HydrophobicContact CG-CD1 4.48Å; Y199-L238 HydrophobicContact CD1-CD1 3.84Å; Y199-L238 HydrophobicContact CD2-CB 4.36Å; Y199-L238 HydrophobicContact CD2-CD1 3.79Å; Y199-L238 HydrophobicContact CE1-CD1 4.09Å; Y199-L238 HydrophobicContact CE2-CB 4.34Å; Y199-L238 HydrophobicContact CE2-CD1 4.02Å; Y199-L238 HydrophobicContact CG-CD1 3.7Å; P236-L238 PolarHBondContact O-N 2.75Å; L238-K240 PolarHBondContact O-N 2.8Å; L238-D241 VanDerWaalsContact O-CB 3.27Å; L238-D241 WeakPolarHBondContact O-CB 3.39Å; L238-D241 PolarHBondContact O-N 2.64Å; L238-L244 HydrophobicContact CD1-CD1 3.77Å; L238-L244 HydrophobicContact CG-CD1 4.14Å; L238-V259 HydrophobicContact CD2-CG1 4.26Å; L238-V259 HydrophobicContact CG-CG1 4.42Å; L238-F308 HydrophobicContact CB-CE2 4.19Å; L238-F308 HydrophobicContact CB-CZ 4.42Å
239L98.8Very high97.5Very high60 Ų6056.8 Ų56.831%0.31432%0.315SS..G310 helixtrans-70.7-0-177.2-53.5-175.5000113.8L222 P237 N245 A256 V259L222-L239 HydrophobicContact CB-CD1 4.47Å; L222-L239 HydrophobicContact CD2-CD2 4.43Å; P237-L239 VanDerWaalsContact C-N 3.32Å; P237-L239 PolarHBondContact O-N 3.01Å; L239-N245 PolarHBondContact O-ND2 3.42Å; L239-A256 HydrophobicContact CD1-CB 4.29Å; L239-A256 HydrophobicContact CD2-CB 4.16Å; L239-V259 HydrophobicContact CD2-CG2 4.21Å
240K98.7Very high97.7Very high166 Ų16658.9 Ų58.972%0.72232%0.315SS*.G310 helixtrans-105.83.7173.2-60-60.2-176.9-176.90112.9P237 L238 A242P237-K240 HydrophobicContact CB-CB 4.23Å; P237-K240 HydrophobicContact CB-CG 3.91Å; P237-K240 HydrophobicContact CG-CG 4.46Å; P237-K240 PolarHBondContact O-N 3.11Å; L238-K240 PolarHBondContact O-N 2.8Å; K240-A242 PolarHBondContact O-N 3.15Å
241D98.8Very high97.9Very high22 Ų2259.9 Ų59.912%0.11832%0.32CS..  trans-59134.6174.6-176.7-86.5000111.4Y199 L238 L243 L244 N245Y199-D241 HydrophobicContact CE1-CB 4.38Å; Y199-D241 WeakPolarHBondContact CE1-OD2 3.38Å; Y199-D241 WeakPolarHBondContact OH-CB 3.44Å; Y199-D241 PolarHBondContact OH-OD2 3.24Å; L238-D241 VanDerWaalsContact O-CB 3.27Å; L238-D241 WeakPolarHBondContact O-CB 3.39Å; L238-D241 PolarHBondContact O-N 2.64Å; D241-L243 PolarHBondContact O-N 3.29Å; D241-L243 WeakPolarHBondContact OD1-CA 3.33Å; D241-L243 WeakPolarHBondContact OD1-CB 3.42Å; D241-L243 PolarHBondContact OD1-N 2.83Å; D241-L244 HydrophobicContact CB-CB 4.1Å; D241-L244 HydrophobicContact CB-CD1 3.8Å; D241-L244 HydrophobicContact CB-CG 3.91Å; D241-L244 PolarHBondContact OD1-N 2.71Å; D241-N245 WeakPolarHBondContact O-CB 3.41Å; D241-N245 PolarHBondContact O-N 2.97Å; D241-N245 VanDerWaalsContact O-N 3.1Å; D241-N245 PolarHBondContact O-ND2 2.98Å
242A98.8Very high98Very high81 Ų8166.7 Ų66.767%0.66936%0.355SS*.Hα-helixtrans-66.5-38.4-173.700000112.6K240 S246K240-A242 PolarHBondContact O-N 3.15Å; A242-S246 WeakPolarHBondContact O-CB 3.38Å; A242-S246 PolarHBondContact O-N 2.91Å; A242-S246 PolarHBondContact O-OG 2.92Å
243L98.9Very high98.2Very high52 Ų5265.9 Ų65.927%0.27235%0.35SS..Hα-helixtrans-70.9-45.8179.5179.660.7000110.6D241 N245 S246 L247 D298 L302D241-L243 PolarHBondContact O-N 3.29Å; D241-L243 WeakPolarHBondContact OD1-CA 3.33Å; D241-L243 WeakPolarHBondContact OD1-CB 3.42Å; D241-L243 PolarHBondContact OD1-N 2.83Å; L243-N245 VanDerWaalsContact C-N 3.28Å; L243-N245 PolarHBondContact O-N 3.09Å; L243-S246 PolarHBondContact O-N 2.9Å; L243-S246 VanDerWaalsContact O-N 3.13Å; L243-S246 PolarHBondContact O-OG 3.21Å; L243-L247 HydrophobicContact CD1-CD1 4.27Å; L243-L247 HydrophobicContact CD1-CG 4.13Å; L243-L247 HydrophobicContact CG-CD1 4.18Å; L243-L247 HydrophobicContact CG-CG 4.44Å; L243-L247 WeakPolarHBondContact O-CB 3.42Å; L243-L247 WeakPolarHBondContact O-CG 3.5Å; L243-L247 PolarHBondContact O-N 3.33Å; L243-D298 HydrophobicContact CD2-CB 4.16Å; L243-L302 HydrophobicContact CB-CD1 4.48Å; L243-L302 HydrophobicContact CB-CD2 4.27Å; L243-L302 HydrophobicContact CD2-CD1 4.09Å; L243-L302 HydrophobicContact CD2-CD2 3.71Å; L243-L302 HydrophobicContact CD2-CG 3.95Å
244L98.9Very high98.4Very high0 Ų064.5 Ų64.50%034%0.342CS..Hα-helixtrans-60.4-39.3177.8-62.6179000112.2P198 L238 D241 G248 A255 I258 V259 I299 L302P198-L244 HydrophobicContact CB-CD1 4.48Å; P198-L244 HydrophobicContact CG-CD1 4.38Å; P198-L244 HydrophobicContact CG-CD2 4.28Å; L238-L244 HydrophobicContact CD1-CD1 3.77Å; L238-L244 HydrophobicContact CG-CD1 4.14Å; D241-L244 HydrophobicContact CB-CB 4.1Å; D241-L244 HydrophobicContact CB-CD1 3.8Å; D241-L244 HydrophobicContact CB-CG 3.91Å; D241-L244 PolarHBondContact OD1-N 2.71Å; L244-G248 PolarHBondContact O-N 3.32Å; L244-A255 HydrophobicContact CB-CB 4.01Å; L244-I258 HydrophobicContact CD2-CG2 3.94Å; L244-V259 HydrophobicContact CD1-CG1 3.38Å; L244-V259 HydrophobicContact CD2-CG1 3.94Å; L244-V259 HydrophobicContact CG-CG1 4.23Å; L244-I299 HydrophobicContact CD2-CG1 4.09Å; L244-I299 HydrophobicContact CD2-CG2 4.21Å; L244-L302 HydrophobicContact CD1-CD1 4.31Å; L244-L302 HydrophobicContact CD2-CD1 3.71Å; L244-L302 HydrophobicContact CG-CD1 3.75Å
245N98.9Very high98.6Very high64 Ų6460.2 Ų60.234%0.34231%0.312SS..Hα-helixtrans-71.4-35.3175.9-79.5-86000112.5L239 D241 L243 G248 K249L239-N245 PolarHBondContact O-ND2 3.42Å; D241-N245 WeakPolarHBondContact O-CB 3.41Å; D241-N245 PolarHBondContact O-N 2.97Å; D241-N245 VanDerWaalsContact O-N 3.1Å; D241-N245 PolarHBondContact O-ND2 2.98Å; L243-N245 VanDerWaalsContact C-N 3.28Å; L243-N245 PolarHBondContact O-N 3.09Å; N245-G248 PolarHBondContact O-N 2.71Å; N245-K249 PolarHBondContact O-N 3.18Å
246S98.9Very high98.7Very high51 Ų5160.2 Ų60.236%0.35731%0.313SS..Hα-helixtrans-70.6-40.6177.473.40000111.9A242 L243 G248 K249 R250A242-S246 WeakPolarHBondContact O-CB 3.38Å; A242-S246 PolarHBondContact O-N 2.91Å; A242-S246 PolarHBondContact O-OG 2.92Å; L243-S246 PolarHBondContact O-N 2.9Å; L243-S246 VanDerWaalsContact O-N 3.13Å; L243-S246 PolarHBondContact O-OG 3.21Å; S246-G248 VanDerWaalsContact C-N 3.33Å; S246-K249 WeakPolarHBondContact O-CB 3.33Å; S246-K249 PolarHBondContact O-N 2.96Å; S246-R250 PolarHBondContact O-N 3.18Å
247L98.9Very high98.8Very high0 Ų057.9 Ų57.90%030%0.296CS..Hα-helixtrans-62.7-40.5171.7-67.6179.5000111.4L243 K249 R250 Y251 I258 E295 I299L243-L247 HydrophobicContact CD1-CD1 4.27Å; L243-L247 HydrophobicContact CD1-CG 4.13Å; L243-L247 HydrophobicContact CG-CD1 4.18Å; L243-L247 HydrophobicContact CG-CG 4.44Å; L243-L247 WeakPolarHBondContact O-CB 3.42Å; L243-L247 WeakPolarHBondContact O-CG 3.5Å; L243-L247 PolarHBondContact O-N 3.33Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 2.8Å; L247-R250 WeakPolarHBondContact O-CB 3.39Å; L247-R250 PolarHBondContact O-N 2.86Å; L247-Y251 WeakPolarHBondContact O-CD2 3.37Å; L247-I258 HydrophobicContact CB-CD1 4.31Å; L247-I258 HydrophobicContact CB-CG1 4.43Å; L247-I258 HydrophobicContact CB-CG2 4.33Å; L247-I258 HydrophobicContact CD1-CG2 4.48Å; L247-E295 HydrophobicContact CD2-CB 4.48Å; L247-E295 HydrophobicContact CD2-CG 3.83Å; L247-I299 HydrophobicContact CD1-CD1 3.75Å; L247-I299 HydrophobicContact CD1-CG1 3.63Å
248G98.8Very high98.8Very high1 Ų155.4 Ų55.41%0.0128%0.28CS..Hα-helixtrans-52.7-45.7173.400000112.7L244 N245 S246 R250 Y251 N252 K253L244-G248 PolarHBondContact O-N 3.32Å; N245-G248 PolarHBondContact O-N 2.71Å; S246-G248 VanDerWaalsContact C-N 3.33Å; G248-R250 VanDerWaalsContact C-N 3.28Å; G248-R250 PolarHBondContact O-N 2.81Å; G248-Y251 PolarHBondContact O-N 3.25Å; G248-N252 PolarHBondContact O-N 3.43Å; G248-N252 VanDerWaalsContact O-N 3.09Å; G248-K253 CarbonylContact C-O 3.57Å; G248-K253 WeakPolarHBondContact CA-O 3.37Å; G248-K253 PolarHBondContact O-N 3.48Å; G248-K253 VanDerWaalsContact O-O 3.05Å
249K98.8Very high98.8Very high178 Ų17855.3 Ų55.377%0.77428%0.279SS*.Hα-helixtrans-60.5-33.3177.9-68.4177.5-178.3-178.60113.5N245 S246 L247 Y251 N252N245-K249 PolarHBondContact O-N 3.18Å; S246-K249 WeakPolarHBondContact O-CB 3.33Å; S246-K249 PolarHBondContact O-N 2.96Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 2.8Å; K249-Y251 VanDerWaalsContact C-N 3.25Å; K249-Y251 PolarHBondContact O-N 2.78Å; K249-N252 PolarHBondContact O-N 2.83Å
250R98.6Very high98.8Very high162 Ų16252.4 Ų52.461%0.61126%0.264SS*.Hα-helixtrans-62.5-33.7179-63.7-177.9177.8179.2-1.6112.5S246 L247 G248 E295S246-R250 PolarHBondContact O-N 3.18Å; L247-R250 WeakPolarHBondContact O-CB 3.39Å; L247-R250 PolarHBondContact O-N 2.86Å; G248-R250 VanDerWaalsContact C-N 3.28Å; G248-R250 PolarHBondContact O-N 2.81Å; R250-E295 WeakPolarHBondContact CD-OE1 3.4Å; R250-E295 IonicContact CZ-OE1 2.6Å; R250-E295 IonicContact NH1-OE1 2.8Å; R250-E295 PolarHBondContact NH1-OE1 3.31Å
251Y98.7Very high98.9Very high67 Ų6745.8 Ų45.826%0.26324%0.235SC..Hα-helixtrans-106.13.1-175.9-64.6-75.6000113.8L247 G248 K249 K253 I258 F289 S290 L291 E295L247-Y251 WeakPolarHBondContact O-CD2 3.37Å; G248-Y251 PolarHBondContact O-N 3.25Å; K249-Y251 VanDerWaalsContact C-N 3.25Å; K249-Y251 PolarHBondContact O-N 2.78Å; Y251-K253 PolarHBondContact O-N 3Å; Y251-I258 HydrophobicContact CD2-CD1 4.15Å; Y251-F289 HydrophobicContact CD1-CB 4.11Å; Y251-F289 AromaticContact CD1-CD2 3.86Å; Y251-F289 HydrophobicContact CD1-CD2 3.86Å; Y251-F289 HydrophobicContact CD1-CG 4.37Å; Y251-F289 HydrophobicContact CD2-CD2 4.16Å; Y251-F289 HydrophobicContact CD2-CE2 4.36Å; Y251-F289 HydrophobicContact CE1-CD2 4.32Å; Y251-F289 AromaticContact CG-CD2 3.78Å; Y251-F289 HydrophobicContact CG-CD2 3.78Å; Y251-F289 HydrophobicContact CG-CE2 4.31Å; Y251-F289 HydrophobicContact CG-CG 4.48Å; Y251-S290 PolarHBondContact OH-O 3.12Å; Y251-L291 HydrophobicContact CE2-CD2 4.17Å; Y251-E295 WeakPolarHBondContact CE2-OE2 3.14Å; Y251-E295 PolarHBondContact OH-OE1 3.28Å; Y251-E295 PolarHBondContact OH-OE2 3.45Å
252N98.7Very high98.9Very high151 Ų15144.7 Ų44.781%0.80723%0.229SC*.THydrogen-bonded Turntrans52.645.5-166.8-168.741.4000112.1G248 K249G248-N252 PolarHBondContact O-N 3.43Å; G248-N252 VanDerWaalsContact O-N 3.09Å; K249-N252 PolarHBondContact O-N 2.83Å
253K98.9Very high98.9Very high30 Ų3040.9 Ų40.913%0.1320%0.197CC..  trans-123.1159.4-179.2-65.9-65.7175.4171.30111G248 Y251 Q257 I258 Q285 D288 F289G248-K253 CarbonylContact C-O 3.57Å; G248-K253 WeakPolarHBondContact CA-O 3.37Å; G248-K253 PolarHBondContact O-N 3.48Å; G248-K253 VanDerWaalsContact O-O 3.05Å; Y251-K253 PolarHBondContact O-N 3Å; K253-Q257 VanDerWaalsContact CA-OE1 3.26Å; K253-Q257 HydrophobicContact CB-CB 4.04Å; K253-Q257 HydrophobicContact CD-CB 4.26Å; K253-Q257 HydrophobicContact CD-CG 4.46Å; K253-I258 HydrophobicContact CB-CD1 4.38Å; K253-Q285 PolarHBondContact NZ-O 3.1Å; K253-D288 WeakPolarHBondContact CE-OD1 3.45Å; K253-D288 IonicContact NZ-OD1 3.24Å; K253-D288 PolarHBondContact NZ-OD1 3.23Å; K253-D288 IonicContact NZ-OD2 2.79Å; K253-D288 PolarHBondContact NZ-OD2 2.9Å; K253-F289 HydrophobicContact CD-CD1 4.15Å; K253-F289 HydrophobicContact CD-CE1 3.93Å; K253-F289 HydrophobicContact CG-CD1 4.07Å; K253-F289 HydrophobicContact CG-CE1 3.82Å; K253-F289 HydrophobicContact CG-CE2 4.47Å; K253-F289 HydrophobicContact CG-CG 4.48Å; K253-F289 HydrophobicContact CG-CZ 4.04Å
254T98.9Very high98.9Very high49 Ų4938.5 Ų38.530%0.30119%0.185SC..  trans-83160.3173.571.70000111A256 Q257 I258 E282T254-A256 PolarHBondContact O-N 3.47Å; T254-A256 PolarHBondContact OG1-N 3.39Å; T254-Q257 PolarHBondContact O-N 3.33Å; T254-Q257 VanDerWaalsContact O-N 3.08Å; T254-Q257 PolarHBondContact OG1-N 3.18Å; T254-I258 WeakPolarHBondContact O-CG1 3.29Å; T254-I258 PolarHBondContact O-N 3.18Å; T254-E282 WeakPolarHBondContact CB-OE1 3.26Å; T254-E282 HydrophobicContact CG2-CG 4.3Å; T254-E282 VanDerWaalsContact CG2-OE1 3.25Å; T254-E282 WeakPolarHBondContact CG2-OE1 3.41Å; T254-E282 PolarHBondContact OG1-OE1 3.33Å
255A98.9Very high98.9Very high6 Ų641 Ų415%0.0520%0.197CC..Hα-helixtrans-55.8-32.1171.300000112.1L244 I258 V259L244-A255 HydrophobicContact CB-CB 4.01Å; A255-I258 PolarHBondContact O-N 3.13Å; A255-V259 WeakPolarHBondContact O-CG1 3.45Å; A255-V259 PolarHBondContact O-N 3.01Å
256A98.9Very high98.9Very high8 Ų839.7 Ų39.77%0.06619%0.187CC..Hα-helixtrans-62.8-46.2175.600000111.5L222 L239 T254 I258 V259 L260L222-A256 HydrophobicContact CD2-CB 3.85Å; L239-A256 HydrophobicContact CD1-CB 4.29Å; L239-A256 HydrophobicContact CD2-CB 4.16Å; T254-A256 PolarHBondContact O-N 3.47Å; T254-A256 PolarHBondContact OG1-N 3.39Å; A256-I258 VanDerWaalsContact C-N 3.32Å; A256-I258 PolarHBondContact O-N 3.45Å; A256-V259 VanDerWaalsContact O-CG2 3.26Å; A256-V259 WeakPolarHBondContact O-CG2 3.38Å; A256-V259 PolarHBondContact O-N 3.18Å; A256-L260 VanDerWaalsContact O-CG 3.22Å; A256-L260 WeakPolarHBondContact O-CG 3.49Å; A256-L260 PolarHBondContact O-N 3.24Å; A256-L260 VanDerWaalsContact O-N 3.08Å
257Q98.9Very high98.8Very high13 Ų1338.2 Ų38.26%0.06118%0.18CC..Hα-helixtrans-64-37.3176.1-70.7168.1-40.100112.1K253 T254 L260 R261 E282 I286K253-Q257 VanDerWaalsContact CA-OE1 3.26Å; K253-Q257 HydrophobicContact CB-CB 4.04Å; K253-Q257 HydrophobicContact CD-CB 4.26Å; K253-Q257 HydrophobicContact CD-CG 4.46Å; T254-Q257 PolarHBondContact O-N 3.33Å; T254-Q257 VanDerWaalsContact O-N 3.08Å; T254-Q257 PolarHBondContact OG1-N 3.18Å; Q257-L260 PolarHBondContact O-N 2.96Å; Q257-R261 VanDerWaalsContact O-CB 3.28Å; Q257-R261 WeakPolarHBondContact O-CB 3.4Å; Q257-R261 PolarHBondContact O-N 3.27Å; Q257-E282 HydrophobicContact CG-CG 4.05Å; Q257-E282 WeakPolarHBondContact CG-O 3.03Å; Q257-E282 PolarHBondContact NE2-O 2.86Å; Q257-I286 HydrophobicContact CB-CG2 4.09Å; Q257-I286 HydrophobicContact CG-CG2 4.2Å
258I98.9Very high98.8Very high0 Ų038.2 Ų38.20%018%0.18CC..Hα-helixtrans-61.7-49.8175.2-62.2-62.2000111.4L244 L247 Y251 K253 T254 A255 A256 L260 R261 F262 F289 L291 I299L244-I258 HydrophobicContact CD2-CG2 3.94Å; L247-I258 HydrophobicContact CB-CD1 4.31Å; L247-I258 HydrophobicContact CB-CG1 4.43Å; L247-I258 HydrophobicContact CB-CG2 4.33Å; L247-I258 HydrophobicContact CD1-CG2 4.48Å; Y251-I258 HydrophobicContact CD2-CD1 4.15Å; K253-I258 HydrophobicContact CB-CD1 4.38Å; T254-I258 WeakPolarHBondContact O-CG1 3.29Å; T254-I258 PolarHBondContact O-N 3.18Å; A255-I258 PolarHBondContact O-N 3.13Å; A256-I258 VanDerWaalsContact C-N 3.32Å; A256-I258 PolarHBondContact O-N 3.45Å; I258-L260 VanDerWaalsContact C-N 3.3Å; I258-L260 PolarHBondContact O-N 2.89Å; I258-R261 PolarHBondContact O-N 3Å; I258-F262 WeakPolarHBondContact O-CB 3.32Å; I258-F262 PolarHBondContact O-N 3.26Å; I258-F289 HydrophobicContact CD1-CE2 3.87Å; I258-F289 HydrophobicContact CD1-CZ 4.19Å; I258-L291 HydrophobicContact CD1-CD2 4.17Å; I258-L291 HydrophobicContact CG2-CD2 4.4Å; I258-I299 HydrophobicContact CG2-CD1 3.69Å
259V98.9Very high98.9Very high0 Ų038.2 Ų38.20%018%0.18CC..Hα-helixtrans-67.9-30.6-178.6-550000113.2P198 P221 L222 L238 L239 L244 A255 A256 N263P198-V259 HydrophobicContact CG-CB 4.04Å; P198-V259 HydrophobicContact CG-CG1 3.68Å; P221-V259 WeakPolarHBondContact O-CG2 3.27Å; L222-V259 HydrophobicContact CD2-CG2 3.63Å; L238-V259 HydrophobicContact CD2-CG1 4.26Å; L238-V259 HydrophobicContact CG-CG1 4.42Å; L239-V259 HydrophobicContact CD2-CG2 4.21Å; L244-V259 HydrophobicContact CD1-CG1 3.38Å; L244-V259 HydrophobicContact CD2-CG1 3.94Å; L244-V259 HydrophobicContact CG-CG1 4.23Å; A255-V259 WeakPolarHBondContact O-CG1 3.45Å; A255-V259 PolarHBondContact O-N 3.01Å; A256-V259 VanDerWaalsContact O-CG2 3.26Å; A256-V259 WeakPolarHBondContact O-CG2 3.38Å; A256-V259 PolarHBondContact O-N 3.18Å; V259-N263 PolarHBondContact O-N 3Å
260L98.9Very high98.9Very high0 Ų029.7 Ų29.70%014%0.143CC..Hα-helixtrans-71.5-48174.3-67.3174.1000110.8P221 L222 A256 Q257 I258 F262 N263 I264 V270 P272 N283 I286P221-L260 HydrophobicContact CB-CD2 4.02Å; P221-L260 HydrophobicContact CG-CD2 4.02Å; L222-L260 HydrophobicContact CD2-CD1 4.03Å; L222-L260 HydrophobicContact CD2-CD2 3.89Å; L222-L260 HydrophobicContact CD2-CG 3.76Å; L222-L260 HydrophobicContact CG-CD2 4.48Å; A256-L260 VanDerWaalsContact O-CG 3.22Å; A256-L260 WeakPolarHBondContact O-CG 3.49Å; A256-L260 PolarHBondContact O-N 3.24Å; A256-L260 VanDerWaalsContact O-N 3.08Å; Q257-L260 PolarHBondContact O-N 2.96Å; I258-L260 VanDerWaalsContact C-N 3.3Å; I258-L260 PolarHBondContact O-N 2.89Å; L260-F262 VanDerWaalsContact C-N 3.27Å; L260-F262 PolarHBondContact O-N 3.22Å; L260-N263 PolarHBondContact O-N 3.24Å; L260-I264 PolarHBondContact O-N 2.87Å; L260-I264 VanDerWaalsContact O-N 3.12Å; L260-V270 HydrophobicContact CD2-CB 3.85Å; L260-V270 HydrophobicContact CD2-CG1 4.25Å; L260-V270 HydrophobicContact CD2-CG2 3.79Å; L260-P272 HydrophobicContact CD1-CB 4.26Å; L260-P272 HydrophobicContact CD1-CG 4.03Å; L260-P272 HydrophobicContact CD2-CB 3.92Å; L260-P272 HydrophobicContact CD2-CG 3.79Å; L260-N283 HydrophobicContact CD1-CB 3.78Å; L260-N283 WeakPolarHBondContact CD1-O 3.14Å; L260-I286 HydrophobicContact CB-CD1 3.97Å; L260-I286 HydrophobicContact CB-CG2 4.11Å
261R98.9Very high98.9Very high26 Ų2622.4 Ų22.410%0.09812%0.116CC..Hα-helixtrans-56.2-44.3176.3-179.666.5-159.6-170.9-6.3111.5Q257 I258 N263 I264 Q265 I286 F289 L291Q257-R261 VanDerWaalsContact O-CB 3.28Å; Q257-R261 WeakPolarHBondContact O-CB 3.4Å; Q257-R261 PolarHBondContact O-N 3.27Å; I258-R261 PolarHBondContact O-N 3Å; R261-N263 PolarHBondContact O-N 3.12Å; R261-I264 WeakPolarHBondContact O-CG1 3.35Å; R261-I264 PolarHBondContact O-N 3.45Å; R261-Q265 VanDerWaalsContact O-CB 3.25Å; R261-Q265 WeakPolarHBondContact O-CB 3.47Å; R261-Q265 PolarHBondContact O-N 3.2Å; R261-I286 WeakPolarHBondContact CD-O 3.49Å; R261-I286 PolarHBondContact NH1-O 2.98Å; R261-F289 HydrophobicContact CB-CE1 4.13Å; R261-F289 HydrophobicContact CB-CE2 3.92Å; R261-F289 HydrophobicContact CB-CZ 3.44Å; R261-F289 VanDerWaalsContact CB-CZ 3.44Å; R261-F289 WeakPolarHBondContact CD-O 3.38Å; R261-F289 HydrophobicContact CG-CD2 4.34Å; R261-F289 HydrophobicContact CG-CE1 4.28Å; R261-F289 HydrophobicContact CG-CE2 3.7Å; R261-F289 HydrophobicContact CG-CZ 3.67Å; R261-F289 PolarHBondContact NE-O 3.34Å; R261-F289 VanDerWaalsContact NE-O 3.16Å; R261-F289 PolarHBondContact NH1-O 2.87Å; R261-F289 VanDerWaalsContact NH1-O 3.15Å; R261-F289 PolarHBondContact NH2-O 3.47Å; R261-L291 HydrophobicContact CB-CD1 4.27Å; R261-L291 HydrophobicContact CG-CD1 4Å; R261-L291 HydrophobicContact CG-CG 3.98Å
262F98.9Very high98.9Very high0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-50.7-54.1176.6166.1-108.4000112.3P198 T201 I258 L260 R266 L291 M296 I299 E300P198-F262 HydrophobicContact CG-CD1 4.06Å; P198-F262 HydrophobicContact CG-CE1 4.41Å; T201-F262 HydrophobicContact CG2-CE1 4.42Å; T201-F262 HydrophobicContact CG2-CZ 4.38Å; I258-F262 WeakPolarHBondContact O-CB 3.32Å; I258-F262 PolarHBondContact O-N 3.26Å; L260-F262 VanDerWaalsContact C-N 3.27Å; L260-F262 PolarHBondContact O-N 3.22Å; F262-R266 WeakPolarHBondContact O-CG 3.48Å; F262-R266 PolarHBondContact O-N 2.76Å; F262-L291 HydrophobicContact CB-CD1 3.92Å; F262-M296 HydrophobicContact CD2-CE 3.7Å; F262-M296 HydrophobicContact CD2-SD 3.79Å; F262-M296 HydrophobicContact CE2-CE 3.87Å; F262-M296 HydrophobicContact CE2-SD 4.43Å; F262-M296 WeakPolarHBondContact O-CE 3.15Å; F262-I299 HydrophobicContact CB-CD1 4.29Å; F262-I299 HydrophobicContact CB-CG2 4.12Å; F262-I299 HydrophobicContact CD1-CG2 3.89Å; F262-I299 HydrophobicContact CD2-CB 3.92Å; F262-I299 HydrophobicContact CD2-CD1 4.42Å; F262-I299 HydrophobicContact CD2-CG2 3.54Å; F262-I299 HydrophobicContact CE1-CG2 4.2Å; F262-I299 HydrophobicContact CE2-CB 4.22Å; F262-I299 HydrophobicContact CE2-CG2 3.9Å; F262-I299 HydrophobicContact CG-CB 4.37Å; F262-I299 HydrophobicContact CG-CG2 3.54Å; F262-I299 HydrophobicContact CZ-CG2 4.2Å; F262-E300 HydrophobicContact CE2-CG 3.58Å; F262-E300 HydrophobicContact CZ-CG 3.66Å
263N98.9Very high98.9Very high0 Ų015.7 Ų15.70%08%0.081CC..Hα-helixtrans-68.9-44-177.7-89-46.3000112.4C196 V259 L260 R261 Q265 R266 G267 V268 V270C196-N263 PolarHBondContact O-ND2 3.18Å; C196-N263 PolarHBondContact SG-OD1 2.94Å; V259-N263 PolarHBondContact O-N 3Å; L260-N263 PolarHBondContact O-N 3.24Å; R261-N263 PolarHBondContact O-N 3.12Å; N263-Q265 VanDerWaalsContact C-N 3.27Å; N263-Q265 PolarHBondContact O-N 3.01Å; N263-R266 VanDerWaalsContact O-CG 3.25Å; N263-R266 WeakPolarHBondContact O-CG 3.36Å; N263-R266 PolarHBondContact O-N 3.45Å; N263-R266 PolarHBondContact OD1-NE 3.46Å; N263-R266 VanDerWaalsContact OD1-NE 3.13Å; N263-R266 PolarHBondContact OD1-NH2 3.48Å; N263-R266 VanDerWaalsContact OD1-NH2 3.15Å; N263-G267 PolarHBondContact O-N 2.87Å; N263-V268 CarbonylContact C-O 3.23Å; N263-V268 HydrophobicContact CB-CB 4.01Å; N263-V268 HydrophobicContact CB-CG1 4.09Å; N263-V268 WeakPolarHBondContact O-CB 3.32Å; N263-V268 PolarHBondContact O-N 3.27Å; N263-V270 HydrophobicContact CB-CG1 3.34Å
264I98.9Very high98.9Very high2 Ų214.5 Ų14.51%0.018%0.076CC..Hα-helixtrans-65.6-33-178.467.7158.2000111.9L3 I20 L260 R261 R266 G267 V268 V270 I286 F287L3-I264 HydrophobicContact CD1-CD1 4.35Å; I20-I264 HydrophobicContact CD1-CB 3.82Å; I20-I264 HydrophobicContact CD1-CG2 4.37Å; I20-I264 VanDerWaalsContact CD1-O 3.24Å; I20-I264 WeakPolarHBondContact CD1-O 3.37Å; I20-I264 HydrophobicContact CG1-CB 4.03Å; I20-I264 HydrophobicContact CG1-CG2 4.01Å; I20-I264 HydrophobicContact CG2-CB 4.16Å; I20-I264 HydrophobicContact CG2-CG2 4.05Å; L260-I264 PolarHBondContact O-N 2.87Å; L260-I264 VanDerWaalsContact O-N 3.12Å; R261-I264 WeakPolarHBondContact O-CG1 3.35Å; R261-I264 PolarHBondContact O-N 3.45Å; I264-R266 VanDerWaalsContact C-N 3.27Å; I264-R266 PolarHBondContact O-N 3.21Å; I264-G267 PolarHBondContact O-N 3.44Å; I264-G267 VanDerWaalsContact O-N 3.11Å; I264-V268 WeakPolarHBondContact CA-O 3.16Å; I264-V270 HydrophobicContact CG2-CB 4.45Å; I264-V270 HydrophobicContact CG2-CG1 4.11Å; I264-V270 HydrophobicContact CG2-CG2 3.56Å; I264-I286 HydrophobicContact CD1-CB 4.44Å; I264-I286 HydrophobicContact CD1-CD1 3.6Å; I264-I286 HydrophobicContact CD1-CG1 3.86Å; I264-I286 HydrophobicContact CG1-CD1 4.22Å; I264-I286 HydrophobicContact CG2-CD1 4.21Å; I264-F287 HydrophobicContact CD1-CD1 4.23Å; I264-F287 HydrophobicContact CD1-CE1 3.87Å
265Q98.8Very high98.9Very high54 Ų5414.3 Ų14.325%0.2527%0.071SC..Hα-helixtrans-70.4-25-179.1-169.1166.7-58.500112.6R261 N263 L291 M296R261-Q265 VanDerWaalsContact O-CB 3.25Å; R261-Q265 WeakPolarHBondContact O-CB 3.47Å; R261-Q265 PolarHBondContact O-N 3.2Å; N263-Q265 VanDerWaalsContact C-N 3.27Å; N263-Q265 PolarHBondContact O-N 3.01Å; Q265-L291 PolarHBondContact NE2-O 3.31Å; Q265-L291 VanDerWaalsContact OE1-N 3.08Å; Q265-M296 HydrophobicContact CB-CE 4.31Å; Q265-M296 HydrophobicContact CB-SD 4.23Å; Q265-M296 HydrophobicContact CG-SD 4.37Å
266R98.7Very high98.9Very high35 Ų3516.6 Ų16.613%0.1328%0.083CC..THydrogen-bonded Turntrans-96.516.7172.269.6-175.6-163.3145.69.6113.9C196 T201 F262 N263 I264 V268 M296 E300C196-R266 PolarHBondContact SG-NH2 3.01Å; T201-R266 PolarHBondContact O-NH1 2.88Å; T201-R266 PolarHBondContact O-NH2 3.22Å; F262-R266 WeakPolarHBondContact O-CG 3.48Å; F262-R266 PolarHBondContact O-N 2.76Å; N263-R266 VanDerWaalsContact O-CG 3.25Å; N263-R266 WeakPolarHBondContact O-CG 3.36Å; N263-R266 PolarHBondContact O-N 3.45Å; N263-R266 PolarHBondContact OD1-NE 3.46Å; N263-R266 VanDerWaalsContact OD1-NE 3.13Å; N263-R266 PolarHBondContact OD1-NH2 3.48Å; N263-R266 VanDerWaalsContact OD1-NH2 3.15Å; I264-R266 VanDerWaalsContact C-N 3.27Å; I264-R266 PolarHBondContact O-N 3.21Å; R266-V268 VanDerWaalsContact C-N 3.34Å; R266-V268 HydrophobicContact CG-CB 4.5Å; R266-V268 HydrophobicContact CG-CG2 4.08Å; R266-V268 PolarHBondContact O-N 2.99Å; R266-M296 HydrophobicContact CB-CE 3.99Å; R266-M296 HydrophobicContact CG-CE 4.49Å; R266-E300 IonicContact NH1-OE1 3.89Å
267G98.6Very high98.9Very high21 Ų2120 Ų2022%0.21610%0.099CC..THydrogen-bonded Turntrans76.715.8174.700000115.1N263 I264N263-G267 PolarHBondContact O-N 2.87Å; I264-G267 PolarHBondContact O-N 3.44Å; I264-G267 VanDerWaalsContact O-N 3.11Å
268V98.9Very high98.8Very high0 Ų024.7 Ų24.70%012%0.121CC..  trans-92.6124.9175.3173.20000109.2L206 I216 A218 N263 I264 R266L206-V268 HydrophobicContact CD1-CG2 3.74Å; L206-V268 HydrophobicContact CD2-CG2 4.07Å; I216-V268 HydrophobicContact CB-CG1 4.37Å; I216-V268 HydrophobicContact CB-CG2 4.36Å; I216-V268 HydrophobicContact CG2-CG1 3.88Å; I216-V268 HydrophobicContact CG2-CG2 4.48Å; A218-V268 HydrophobicContact CB-CG1 3.71Å; N263-V268 CarbonylContact C-O 3.23Å; N263-V268 HydrophobicContact CB-CB 4.01Å; N263-V268 HydrophobicContact CB-CG1 4.09Å; N263-V268 WeakPolarHBondContact O-CB 3.32Å; N263-V268 PolarHBondContact O-N 3.27Å; I264-V268 WeakPolarHBondContact CA-O 3.16Å; R266-V268 VanDerWaalsContact C-N 3.34Å; R266-V268 HydrophobicContact CG-CB 4.5Å; R266-V268 HydrophobicContact CG-CG2 4.08Å; R266-V268 PolarHBondContact O-N 2.99Å
269V98.9Very high98.8Very high0 Ų031 Ų310%015%0.145CC..EExtended strand (participates in β ladder)trans-68139.2175.2178.40000108.9I10 I18 I20 V215 I216 I217 A218I10-V269 HydrophobicContact CD1-CG2 3.81Å; I10-V269 HydrophobicContact CG1-CG2 4.43Å; I18-V269 HydrophobicContact CD1-CG1 4.25Å; I18-V269 HydrophobicContact CD1-CG2 4.29Å; I18-V269 HydrophobicContact CG1-CG2 4.49Å; I18-V269 HydrophobicContact CG2-CG2 3.93Å; I20-V269 HydrophobicContact CG1-CG2 4.4Å; I20-V269 CarbonylContact O-C 3.56Å; I20-V269 VanDerWaalsContact O-CA 3.26Å; I20-V269 WeakPolarHBondContact O-CA 3.4Å; I20-V269 WeakPolarHBondContact O-CG1 3.07Å; V215-V269 HydrophobicContact CG1-CG2 3.54Å; I216-V269 PolarHBondContact O-N 2.72Å; I217-V269 CarbonylContact C-O 3.39Å; I217-V269 HydrophobicContact CB-CB 4.29Å; I217-V269 HydrophobicContact CG1-CB 3.99Å; I217-V269 HydrophobicContact CG1-CG1 4.29Å; I217-V269 HydrophobicContact CG1-CG2 4.38Å; I217-V269 HydrophobicContact CG2-CB 4.19Å; I217-V269 HydrophobicContact CG2-CG1 3.99Å; A218-V269 WeakPolarHBondContact CB-O 3.2Å; A218-V269 PolarHBondContact N-O 2.83Å
270V98.9Very high98.8Very high0 Ų031 Ų310%015%0.145CC..EExtended strand (participates in β ladder)trans-117.2136.7176.6-62.30000111.1I20 I21 G22 A218 P221 L260 N263 I264 P272I20-V270 PolarHBondContact O-N 2.89Å; I21-V270 CarbonylContact C-O 3.55Å; I21-V270 VanDerWaalsContact CA-O 3.31Å; I21-V270 WeakPolarHBondContact CA-O 3.45Å; I21-V270 HydrophobicContact CB-CG2 4.05Å; I21-V270 HydrophobicContact CD1-CG2 4.28Å; I21-V270 HydrophobicContact CG1-CG2 3.96Å; G22-V270 PolarHBondContact N-O 3.36Å; A218-V270 HydrophobicContact CB-CG1 4.31Å; P221-V270 HydrophobicContact CB-CB 4.14Å; P221-V270 HydrophobicContact CB-CG1 4.19Å; P221-V270 HydrophobicContact CG-CB 4.27Å; L260-V270 HydrophobicContact CD2-CB 3.85Å; L260-V270 HydrophobicContact CD2-CG1 4.25Å; L260-V270 HydrophobicContact CD2-CG2 3.79Å; N263-V270 HydrophobicContact CB-CG1 3.34Å; I264-V270 HydrophobicContact CG2-CB 4.45Å; I264-V270 HydrophobicContact CG2-CG1 4.11Å; I264-V270 HydrophobicContact CG2-CG2 3.56Å; V270-P272 WeakPolarHBondContact O-CD 3.48Å
271I98.9Very high98.8Very high9 Ų935 Ų355%0.04616%0.162CC..  trans-122.161.5177.250166.1000111.8G22 D53 Q193 I217 A218 K273G22-I271 WeakPolarHBondContact O-CA 3.33Å; D53-I271 HydrophobicContact CB-CB 4.15Å; D53-I271 HydrophobicContact CB-CD1 3.86Å; D53-I271 HydrophobicContact CB-CG2 3.89Å; D53-I271 VanDerWaalsContact CG-CD1 3.45Å; Q193-I271 HydrophobicContact CG-CD1 4.23Å; I217-I271 HydrophobicContact CG2-CD1 4.05Å; I217-I271 HydrophobicContact CG2-CG1 4.05Å; I217-I271 HydrophobicContact CG2-CG2 4.04Å; A218-I271 VanDerWaalsContact O-CG1 3.27Å; A218-I271 WeakPolarHBondContact O-CG1 3.26Å; A218-I271 PolarHBondContact O-N 3.43Å; I271-K273 PolarHBondContact O-N 2.66Å
272P98.9Very high98.8Very high0 Ų036.5 Ų36.50%017%0.171CC..  trans-59.2136.4178.225.8-35.5000111.5I21 G22 G24 P221 L222 L260 V270 N283I21-P272 HydrophobicContact CD1-CG 4.22Å; I21-P272 HydrophobicContact CG1-CG 4.39Å; G22-P272 VanDerWaalsContact O-CD 3.25Å; G22-P272 WeakPolarHBondContact O-CD 3.44Å; G24-P272 PolarHBondContact N-O 2.83Å; P221-P272 HydrophobicContact CG-CB 4.13Å; L222-P272 HydrophobicContact CD1-CB 3.79Å; L222-P272 HydrophobicContact CG-CB 4.03Å; L260-P272 HydrophobicContact CD1-CB 4.26Å; L260-P272 HydrophobicContact CD1-CG 4.03Å; L260-P272 HydrophobicContact CD2-CB 3.92Å; L260-P272 HydrophobicContact CD2-CG 3.79Å; V270-P272 WeakPolarHBondContact O-CD 3.48Å; P272-N283 HydrophobicContact CG-CB 4.29Å
273K98.8Very high98.8Very high76 Ų7636.7 Ų36.733%0.3317%0.172SC..BIsolated β-bridgetrans-97.8130172.9-174.2-98.9178.6165.10111G24 Y26 S27 I271G24-K273 WeakPolarHBondContact O-CA 3.49Å; G24-K273 VanDerWaalsContact O-CB 3.31Å; G24-K273 WeakPolarHBondContact O-CB 3.36Å; G24-K273 WeakPolarHBondContact O-CG 3.24Å; Y26-K273 VanDerWaalsContact O-CD 3.25Å; Y26-K273 WeakPolarHBondContact O-CD 3.38Å; Y26-K273 WeakPolarHBondContact O-CE 3.47Å; Y26-K273 WeakPolarHBondContact O-CG 3.5Å; S27-K273 PolarHBondContact OG-NZ 3.45Å; I271-K273 PolarHBondContact O-N 2.66Å
274S98.8Very high98.8Very high5 Ų537 Ų374%0.03517%0.173CC..  trans-148.1134.1164.51790000109.7N276 R279 I280S274-N276 PolarHBondContact OG-N 3.26Å; S274-N276 VanDerWaalsContact OG-N 3.11Å; S274-N276 PolarHBondContact OG-O 3.17Å; S274-R279 VanDerWaalsContact OG-CB 3.24Å; S274-R279 WeakPolarHBondContact OG-CB 3.38Å; S274-I280 WeakPolarHBondContact O-CD1 3.43Å; S274-I280 VanDerWaalsContact O-CG1 3.26Å; S274-I280 WeakPolarHBondContact O-CG1 3.31Å
275F98.7Very high98.8Very high45 Ų4540.9 Ų40.920%0.19719%0.191CC..  trans-106.529.6166.8-70.5-7.7000112T32 A36 C37 S40T32-F275 HydrophobicContact CG2-CD2 4.03Å; T32-F275 HydrophobicContact CG2-CE2 3.93Å; A36-F275 HydrophobicContact CB-CD2 3.85Å; A36-F275 HydrophobicContact CB-CE2 4.33Å; C37-F275 VanDerWaalsContact CA-CZ 3.49Å; C37-F275 HydrophobicContact CB-CE1 4.25Å; C37-F275 HydrophobicContact CB-CE2 3.98Å; C37-F275 HydrophobicContact CB-CZ 3.53Å; S40-F275 WeakPolarHBondContact OG-CA 3.46Å; S40-F275 WeakPolarHBondContact OG-CB 3.15Å; S40-F275 WeakPolarHBondContact OG-CD1 3.48Å; S40-F275 WeakPolarHBondContact OG-CG 3.47Å
276N98.8Very high98.8Very high55 Ų5538.3 Ų38.329%0.29418%0.179SC..SBendtrans-122.2127.5177169.7-92.9000108.8S274 E278 R279 I280S274-N276 PolarHBondContact OG-N 3.26Å; S274-N276 VanDerWaalsContact OG-N 3.11Å; S274-N276 PolarHBondContact OG-O 3.17Å; N276-E278 PolarHBondContact O-N 3.38Å; N276-E278 PolarHBondContact OD1-N 3.01Å; N276-R279 HydrophobicContact CB-CB 4.34Å; N276-R279 VanDerWaalsContact CB-CZ 3.41Å; N276-R279 PolarHBondContact O-N 3.27Å; N276-R279 PolarHBondContact OD1-N 3.13Å; N276-I280 VanDerWaalsContact O-CG1 3.27Å; N276-I280 WeakPolarHBondContact O-CG1 3.3Å; N276-I280 PolarHBondContact O-N 2.94Å
277L98.7Very high98.8Very high78 Ų7838.1 Ų38.141%0.40818%0.179SC..Hα-helixtrans-48.4-54.8-175.9176.560.3000112.6V43 R279 I280 K281V43-L277 HydrophobicContact CB-CD1 4.32Å; V43-L277 HydrophobicContact CG1-CD1 3.37Å; V43-L277 HydrophobicContact CG2-CD1 3.9Å; L277-R279 PolarHBondContact O-N 2.99Å; L277-I280 PolarHBondContact O-N 3.2Å; L277-K281 HydrophobicContact CD1-CD 4.47Å; L277-K281 PolarHBondContact O-N 3.5Å
278E98.8Very high98.8Very high112 Ų11242.2 Ų42.252%0.52320%0.196SC..Hα-helixtrans-65-43.5-175.7-58.5-47.5123.800111.7N276 I280 K281 E282N276-E278 PolarHBondContact O-N 3.38Å; N276-E278 PolarHBondContact OD1-N 3.01Å; E278-I280 PolarHBondContact O-N 3.32Å; E278-K281 PolarHBondContact O-N 3.12Å; E278-K281 IonicContact OE1-NZ 3.12Å; E278-E282 WeakPolarHBondContact O-CB 3.49Å; E278-E282 PolarHBondContact O-N 2.79Å
279R98.8Very high98.8Very high132 Ų13243.4 Ų43.450%0.49820%0.201SC..Hα-helixtrans-69-30.4177.7-72.6-168.5-60.1-86.38.2113.7S274 N276 L277 K281 N283S274-R279 VanDerWaalsContact OG-CB 3.24Å; S274-R279 WeakPolarHBondContact OG-CB 3.38Å; N276-R279 HydrophobicContact CB-CB 4.34Å; N276-R279 VanDerWaalsContact CB-CZ 3.41Å; N276-R279 PolarHBondContact O-N 3.27Å; N276-R279 PolarHBondContact OD1-N 3.13Å; L277-R279 PolarHBondContact O-N 2.99Å; R279-K281 VanDerWaalsContact C-N 3.35Å; R279-N283 VanDerWaalsContact O-CB 3.32Å; R279-N283 WeakPolarHBondContact O-CB 3.46Å; R279-N283 PolarHBondContact O-N 3.37Å; R279-N283 PolarHBondContact O-ND2 2.94Å; R279-N283 PolarHBondContact O-OD1 2.76Å
280I98.9Very high98.8Very high1 Ų146.6 Ų46.61%0.00522%0.224CC..Hα-helixtrans-62.5-47173.5-69.3161.8000109.5L23 V43 A44 Y49 S274 N276 L277 E278L23-I280 HydrophobicContact CD1-CG1 4.45Å; V43-I280 HydrophobicContact CB-CD1 4.25Å; V43-I280 HydrophobicContact CG1-CB 4.13Å; V43-I280 HydrophobicContact CG1-CD1 3.94Å; V43-I280 HydrophobicContact CG1-CG2 3.87Å; A44-I280 HydrophobicContact CB-CG2 3.88Å; Y49-I280 HydrophobicContact CE2-CG2 3.97Å; Y49-I280 WeakPolarHBondContact CE2-O 3.36Å; Y49-I280 PolarHBondContact OH-O 2.95Å; S274-I280 WeakPolarHBondContact O-CD1 3.43Å; S274-I280 VanDerWaalsContact O-CG1 3.26Å; S274-I280 WeakPolarHBondContact O-CG1 3.31Å; N276-I280 VanDerWaalsContact O-CG1 3.27Å; N276-I280 WeakPolarHBondContact O-CG1 3.3Å; N276-I280 PolarHBondContact O-N 2.94Å; L277-I280 PolarHBondContact O-N 3.2Å; E278-I280 PolarHBondContact O-N 3.32Å
281K98.9Very high98.8Very high83 Ų8346.8 Ų46.836%0.36123%0.225SC..Hα-helixtrans-63.1-49.1175.8-66.3173.4-176.8168.10111.6T47 L277 E278 R279 N283 F284 Q285T47-K281 HydrophobicContact CG2-CG 4.33Å; L277-K281 HydrophobicContact CD1-CD 4.47Å; L277-K281 PolarHBondContact O-N 3.5Å; E278-K281 PolarHBondContact O-N 3.12Å; E278-K281 IonicContact OE1-NZ 3.12Å; R279-K281 VanDerWaalsContact C-N 3.35Å; K281-N283 PolarHBondContact O-N 2.71Å; K281-F284 PolarHBondContact O-N 3.31Å; K281-F284 VanDerWaalsContact O-N 3.13Å; K281-Q285 WeakPolarHBondContact O-CG 3.24Å; K281-Q285 PolarHBondContact O-N 3.43Å; K281-Q285 PolarHBondContact O-NE2 3.21Å
282E98.9Very high98.8Very high58 Ų5849.5 Ų49.527%0.27124%0.242SC..Hα-helixtrans-53.5-50.9-180-175.5-173.1121.800111.6T254 Q257 E278 F284 Q285T254-E282 WeakPolarHBondContact CB-OE1 3.26Å; T254-E282 HydrophobicContact CG2-CG 4.3Å; T254-E282 VanDerWaalsContact CG2-OE1 3.25Å; T254-E282 WeakPolarHBondContact CG2-OE1 3.41Å; T254-E282 PolarHBondContact OG1-OE1 3.33Å; Q257-E282 HydrophobicContact CG-CG 4.05Å; Q257-E282 WeakPolarHBondContact CG-O 3.03Å; Q257-E282 PolarHBondContact NE2-O 2.86Å; E278-E282 WeakPolarHBondContact O-CB 3.49Å; E278-E282 PolarHBondContact O-N 2.79Å; E282-F284 PolarHBondContact O-N 3.36Å; E282-F284 VanDerWaalsContact O-N 3.11Å; E282-Q285 PolarHBondContact O-N 3.22Å
283N98.9Very high98.8Very high4 Ų456.1 Ų56.12%0.02127%0.273CS..Hα-helixtrans-61.2-22.3-177.5-71.9-14.8000113.4I21 Y49 L260 P272 R279 K281I21-N283 VanDerWaalsContact CD1-O 3.3Å; I21-N283 WeakPolarHBondContact CD1-O 3.37Å; Y49-N283 VanDerWaalsContact OH-CB 3.3Å; Y49-N283 WeakPolarHBondContact OH-CB 3.34Å; L260-N283 HydrophobicContact CD1-CB 3.78Å; L260-N283 WeakPolarHBondContact CD1-O 3.14Å; P272-N283 HydrophobicContact CG-CB 4.29Å; R279-N283 VanDerWaalsContact O-CB 3.32Å; R279-N283 WeakPolarHBondContact O-CB 3.46Å; R279-N283 PolarHBondContact O-N 3.37Å; R279-N283 PolarHBondContact O-ND2 2.94Å; R279-N283 PolarHBondContact O-OD1 2.76Å; K281-N283 PolarHBondContact O-N 2.71Å
284F98.9Very high98.8Very high6 Ų659 Ų593%0.02629%0.288CS..Hα-helixtrans-86.6-19.4178.8-162.1-110.3000113.5A5 H8 I21 T47 G48 Y49 K281 E282 I286 F287A5-F284 HydrophobicContact CB-CE1 3.95Å; A5-F284 HydrophobicContact CB-CZ 4.49Å; H8-F284 AromaticContact CE1-CE2 3.99Å; H8-F284 AromaticContact CE1-CZ 3.74Å; I21-F284 HydrophobicContact CD1-CD2 4.34Å; I21-F284 HydrophobicContact CG2-CD2 3.97Å; I21-F284 HydrophobicContact CG2-CE2 3.76Å; T47-F284 HydrophobicContact CG2-CB 3.77Å; T47-F284 HydrophobicContact CG2-CD1 3.89Å; T47-F284 HydrophobicContact CG2-CG 3.96Å; G48-F284 VanDerWaalsContact O-CZ 3.32Å; G48-F284 WeakPolarHBondContact O-CZ 3.31Å; Y49-F284 HydrophobicContact CD1-CD2 4.2Å; Y49-F284 HydrophobicContact CD2-CB 4.34Å; Y49-F284 AromaticContact CD2-CD2 3.64Å; Y49-F284 HydrophobicContact CD2-CD2 3.64Å; Y49-F284 HydrophobicContact CD2-CE2 4.2Å; Y49-F284 HydrophobicContact CD2-CG 4.11Å; Y49-F284 HydrophobicContact CE1-CD2 4.12Å; Y49-F284 HydrophobicContact CE2-CB 3.56Å; Y49-F284 AromaticContact CE2-CD2 3.57Å; Y49-F284 HydrophobicContact CE2-CD2 3.57Å; Y49-F284 AromaticContact CE2-CG 3.8Å; Y49-F284 HydrophobicContact CE2-CG 3.8Å; Y49-F284 AromaticContact CG-CD2 3.98Å; Y49-F284 HydrophobicContact CG-CD2 3.98Å; Y49-F284 HydrophobicContact CG-CE2 4.24Å; Y49-F284 AromaticContact CZ-CD2 3.8Å; Y49-F284 PolarHBondContact OH-N 2.58Å; K281-F284 PolarHBondContact O-N 3.31Å; K281-F284 VanDerWaalsContact O-N 3.13Å; E282-F284 PolarHBondContact O-N 3.36Å; E282-F284 VanDerWaalsContact O-N 3.11Å; F284-I286 PolarHBondContact O-N 3.37Å; F284-F287 HydrophobicContact CD2-CE2 4.3Å; F284-F287 HydrophobicContact CE1-CE2 4.44Å; F284-F287 AromaticContact CE2-CE2 3.97Å; F284-F287 HydrophobicContact CE2-CE2 3.97Å; F284-F287 HydrophobicContact CZ-CE2 4.04Å; F284-F287 WeakPolarHBondContact O-CD2 3.45Å
285Q98.8Very high98.8Very high85 Ų8559.1 Ų59.140%0.39729%0.288SS..  trans-80.462-178.7-53.4-49.4-5800111.6K253 K281 E282K253-Q285 PolarHBondContact NZ-O 3.1Å; K281-Q285 WeakPolarHBondContact O-CG 3.24Å; K281-Q285 PolarHBondContact O-N 3.43Å; K281-Q285 PolarHBondContact O-NE2 3.21Å; E282-Q285 PolarHBondContact O-N 3.22Å
286I98.8Very high98.8Very high0 Ų057.7 Ų57.70%028%0.282CS..  trans-124.711.6-176.662.4173.5000113.4I21 Q257 L260 R261 I264 F284 F289I21-I286 HydrophobicContact CD1-CD1 3.71Å; Q257-I286 HydrophobicContact CB-CG2 4.09Å; Q257-I286 HydrophobicContact CG-CG2 4.2Å; L260-I286 HydrophobicContact CB-CD1 3.97Å; L260-I286 HydrophobicContact CB-CG2 4.11Å; R261-I286 WeakPolarHBondContact CD-O 3.49Å; R261-I286 PolarHBondContact NH1-O 2.98Å; I264-I286 HydrophobicContact CD1-CB 4.44Å; I264-I286 HydrophobicContact CD1-CD1 3.6Å; I264-I286 HydrophobicContact CD1-CG1 3.86Å; I264-I286 HydrophobicContact CG1-CD1 4.22Å; I264-I286 HydrophobicContact CG2-CD1 4.21Å; F284-I286 PolarHBondContact O-N 3.37Å; I286-F289 HydrophobicContact CB-CE1 4.46Å
287F98.8Very high98.8Very high31 Ų3161.7 Ų61.714%0.13630%0.296CS..SBendtrans-108.9-8.6-179.1-59.6-70.3000113.3L3 A5 H8 I20 I21 I264 F284L3-F287 HydrophobicContact CB-CD1 3.95Å; L3-F287 HydrophobicContact CB-CE1 4.02Å; A5-F287 HydrophobicContact CB-CD2 4.02Å; H8-F287 HydrophobicContact CB-CD1 4.46Å; H8-F287 HydrophobicContact CB-CE1 3.53Å; H8-F287 HydrophobicContact CB-CZ 3.65Å; H8-F287 AromaticContact CG-CZ 3.56Å; H8-F287 AromaticContact ND1-CZ 3.83Å; I20-F287 HydrophobicContact CG2-CE1 4.26Å; I20-F287 HydrophobicContact CG2-CZ 4.41Å; I21-F287 HydrophobicContact CG2-CE2 4.08Å; I21-F287 HydrophobicContact CG2-CZ 3.73Å; I264-F287 HydrophobicContact CD1-CD1 4.23Å; I264-F287 HydrophobicContact CD1-CE1 3.87Å; F284-F287 HydrophobicContact CD2-CE2 4.3Å; F284-F287 HydrophobicContact CE1-CE2 4.44Å; F284-F287 AromaticContact CE2-CE2 3.97Å; F284-F287 HydrophobicContact CE2-CE2 3.97Å; F284-F287 HydrophobicContact CZ-CE2 4.04Å; F284-F287 WeakPolarHBondContact O-CD2 3.45Å
288D98.4Very high98.8Very high107 Ų10760.8 Ų60.857%0.57229%0.292SS*.SBendtrans-95.55.1-178.463.2-30.7000113.4K253K253-D288 WeakPolarHBondContact CE-OD1 3.45Å; K253-D288 IonicContact NZ-OD1 3.24Å; K253-D288 PolarHBondContact NZ-OD1 3.23Å; K253-D288 IonicContact NZ-OD2 2.79Å; K253-D288 PolarHBondContact NZ-OD2 2.9Å
289F98.8Very high98.8Very high24 Ų2455.4 Ų55.411%0.10527%0.267CS..  trans-150.1166.2173.578.8-74000110.9Y251 K253 I258 R261 I286 L291Y251-F289 HydrophobicContact CD1-CB 4.11Å; Y251-F289 AromaticContact CD1-CD2 3.86Å; Y251-F289 HydrophobicContact CD1-CD2 3.86Å; Y251-F289 HydrophobicContact CD1-CG 4.37Å; Y251-F289 HydrophobicContact CD2-CD2 4.16Å; Y251-F289 HydrophobicContact CD2-CE2 4.36Å; Y251-F289 HydrophobicContact CE1-CD2 4.32Å; Y251-F289 AromaticContact CG-CD2 3.78Å; Y251-F289 HydrophobicContact CG-CD2 3.78Å; Y251-F289 HydrophobicContact CG-CE2 4.31Å; Y251-F289 HydrophobicContact CG-CG 4.48Å; K253-F289 HydrophobicContact CD-CD1 4.15Å; K253-F289 HydrophobicContact CD-CE1 3.93Å; K253-F289 HydrophobicContact CG-CD1 4.07Å; K253-F289 HydrophobicContact CG-CE1 3.82Å; K253-F289 HydrophobicContact CG-CE2 4.47Å; K253-F289 HydrophobicContact CG-CG 4.48Å; K253-F289 HydrophobicContact CG-CZ 4.04Å; I258-F289 HydrophobicContact CD1-CE2 3.87Å; I258-F289 HydrophobicContact CD1-CZ 4.19Å; R261-F289 HydrophobicContact CB-CE1 4.13Å; R261-F289 HydrophobicContact CB-CE2 3.92Å; R261-F289 HydrophobicContact CB-CZ 3.44Å; R261-F289 VanDerWaalsContact CB-CZ 3.44Å; R261-F289 WeakPolarHBondContact CD-O 3.38Å; R261-F289 HydrophobicContact CG-CD2 4.34Å; R261-F289 HydrophobicContact CG-CE1 4.28Å; R261-F289 HydrophobicContact CG-CE2 3.7Å; R261-F289 HydrophobicContact CG-CZ 3.67Å; R261-F289 PolarHBondContact NE-O 3.34Å; R261-F289 VanDerWaalsContact NE-O 3.16Å; R261-F289 PolarHBondContact NH1-O 2.87Å; R261-F289 VanDerWaalsContact NH1-O 3.15Å; R261-F289 PolarHBondContact NH2-O 3.47Å; I286-F289 HydrophobicContact CB-CE1 4.46Å; F289-L291 HydrophobicContact CE2-CD2 4.35Å; F289-L291 HydrophobicContact CE2-CG 4.46Å
290S98.8Very high98.8Very high67 Ų6753 Ų5347%0.46926%0.261SS..  trans-134.5149172.857.10000110.3Y251Y251-S290 PolarHBondContact OH-O 3.12Å
291L98.8Very high98.8Very high4 Ų456.9 Ų56.92%0.02129%0.293CS..  trans-81.8143.4170.5-65.8163.4000108.8Y251 I258 R261 F262 Q265 F289 E295 M296 I299Y251-L291 HydrophobicContact CE2-CD2 4.17Å; I258-L291 HydrophobicContact CD1-CD2 4.17Å; I258-L291 HydrophobicContact CG2-CD2 4.4Å; R261-L291 HydrophobicContact CB-CD1 4.27Å; R261-L291 HydrophobicContact CG-CD1 4Å; R261-L291 HydrophobicContact CG-CG 3.98Å; F262-L291 HydrophobicContact CB-CD1 3.92Å; Q265-L291 PolarHBondContact NE2-O 3.31Å; Q265-L291 VanDerWaalsContact OE1-N 3.08Å; F289-L291 HydrophobicContact CE2-CD2 4.35Å; F289-L291 HydrophobicContact CE2-CG 4.46Å; L291-E295 HydrophobicContact CB-CB 4.26Å; L291-E295 HydrophobicContact CD2-CB 4.27Å; L291-M296 HydrophobicContact CB-CG 4.01Å; L291-M296 HydrophobicContact CB-SD 3.88Å; L291-M296 HydrophobicContact CD1-SD 3.77Å; L291-M296 HydrophobicContact CG-SD 4.49Å; L291-I299 HydrophobicContact CD1-CD1 3.66Å; L291-I299 HydrophobicContact CD2-CD1 4.12Å; L291-I299 HydrophobicContact CG-CD1 4.49Å
292T98.8Very high98.8Very high67 Ų6754.3 Ų54.341%0.41128%0.283SS..  trans-71.2164.8173.172.50000110.8E294 E295 M296T292-E294 PolarHBondContact O-N 2.82Å; T292-E294 PolarHBondContact OG1-N 3.14Å; T292-E295 PolarHBondContact N-OE2 2.65Å; T292-E295 PolarHBondContact O-N 3.26Å; T292-E295 WeakPolarHBondContact OG1-CG 3.5Å; T292-E295 PolarHBondContact OG1-N 3.07Å; T292-E295 VanDerWaalsContact OG1-N 3.16Å; T292-M296 VanDerWaalsContact O-CG 3.31Å; T292-M296 WeakPolarHBondContact O-CG 3.26Å; T292-M296 PolarHBondContact O-N 3.41Å
293E98.6Very high98.8Very high138 Ų13853.9 Ų53.965%0.64528%0.283SS*.Hα-helixtrans-58.8-32.6174.4-68.8-59.7127.900112.9K297E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 3.09Å
294E98.8Very high98.8Very high138 Ų13857.8 Ų57.865%0.64530%0.3SS*.Hα-helixtrans-69.8-47175-174175.3-165.200110.8T292 M296 K297 D298T292-E294 PolarHBondContact O-N 2.82Å; T292-E294 PolarHBondContact OG1-N 3.14Å; E294-M296 VanDerWaalsContact C-N 3.3Å; E294-M296 PolarHBondContact O-N 2.9Å; E294-K297 WeakPolarHBondContact O-CB 3.34Å; E294-K297 PolarHBondContact O-N 3.29Å; E294-K297 VanDerWaalsContact O-N 3.08Å; E294-D298 PolarHBondContact O-N 3.16Å
295E98.9Very high98.7Very high7 Ų762.4 Ų62.43%0.03332%0.324CS..Hα-helixtrans-65.2-33.8178.7-68.2173.9152.600112.5L247 R250 Y251 L291 T292 D298 I299L247-E295 HydrophobicContact CD2-CB 4.48Å; L247-E295 HydrophobicContact CD2-CG 3.83Å; R250-E295 WeakPolarHBondContact CD-OE1 3.4Å; R250-E295 IonicContact CZ-OE1 2.6Å; R250-E295 IonicContact NH1-OE1 2.8Å; R250-E295 PolarHBondContact NH1-OE1 3.31Å; Y251-E295 WeakPolarHBondContact CE2-OE2 3.14Å; Y251-E295 PolarHBondContact OH-OE1 3.28Å; Y251-E295 PolarHBondContact OH-OE2 3.45Å; L291-E295 HydrophobicContact CB-CB 4.26Å; L291-E295 HydrophobicContact CD2-CB 4.27Å; T292-E295 PolarHBondContact N-OE2 2.65Å; T292-E295 PolarHBondContact O-N 3.26Å; T292-E295 WeakPolarHBondContact OG1-CG 3.5Å; T292-E295 PolarHBondContact OG1-N 3.07Å; T292-E295 VanDerWaalsContact OG1-N 3.16Å; E295-D298 PolarHBondContact O-N 3.2Å; E295-I299 WeakPolarHBondContact O-CB 3.27Å; E295-I299 WeakPolarHBondContact O-CD1 3.31Å; E295-I299 WeakPolarHBondContact O-CG1 3.32Å; E295-I299 PolarHBondContact O-N 3.14Å
296M98.9Very high98.7Very high15 Ų1561.1 Ų61.17%0.07432%0.322CS..Hα-helixtrans-60.1-46.7171.1-73.2-65.9-64.900110.9F262 Q265 R266 L291 T292 E294 I299 E300F262-M296 HydrophobicContact CD2-CE 3.7Å; F262-M296 HydrophobicContact CD2-SD 3.79Å; F262-M296 HydrophobicContact CE2-CE 3.87Å; F262-M296 HydrophobicContact CE2-SD 4.43Å; F262-M296 WeakPolarHBondContact O-CE 3.15Å; Q265-M296 HydrophobicContact CB-CE 4.31Å; Q265-M296 HydrophobicContact CB-SD 4.23Å; Q265-M296 HydrophobicContact CG-SD 4.37Å; R266-M296 HydrophobicContact CB-CE 3.99Å; R266-M296 HydrophobicContact CG-CE 4.49Å; L291-M296 HydrophobicContact CB-CG 4.01Å; L291-M296 HydrophobicContact CB-SD 3.88Å; L291-M296 HydrophobicContact CD1-SD 3.77Å; L291-M296 HydrophobicContact CG-SD 4.49Å; T292-M296 VanDerWaalsContact O-CG 3.31Å; T292-M296 WeakPolarHBondContact O-CG 3.26Å; T292-M296 PolarHBondContact O-N 3.41Å; E294-M296 VanDerWaalsContact C-N 3.3Å; E294-M296 PolarHBondContact O-N 2.9Å; M296-I299 PolarHBondContact O-N 3.3Å; M296-E300 WeakPolarHBondContact O-CG 3.15Å; M296-E300 PolarHBondContact O-N 3.1Å
297K98.8Very high98.7Very high138 Ų13862.8 Ų62.860%0.633%0.329SS*.Hα-helixtrans-65.3-41.2176.9-70.8170.5-174.7173.60112.3E293 E294 I299 E300 A301E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 3.09Å; E294-K297 WeakPolarHBondContact O-CB 3.34Å; E294-K297 PolarHBondContact O-N 3.29Å; E294-K297 VanDerWaalsContact O-N 3.08Å; K297-I299 VanDerWaalsContact C-N 3.31Å; K297-I299 PolarHBondContact O-N 3.48Å; K297-E300 PolarHBondContact O-N 2.88Å; K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 3.37Å
298D98.9Very high98.7Very high59 Ų5961.3 Ų61.332%0.31632%0.322SS..Hα-helixtrans-58.1-44.4176.2-76.6-13.1000111.3L243 E294 E295 A301L243-D298 HydrophobicContact CD2-CB 4.16Å; E294-D298 PolarHBondContact O-N 3.16Å; E295-D298 PolarHBondContact O-N 3.2Å; D298-A301 PolarHBondContact O-N 2.62Å
299I98.9Very high98.7Very high0 Ų056.8 Ų56.80%030%0.298CS..Hα-helixtrans-71.3-38.3177.3-64.8164.6000111.3P198 L244 L247 I258 F262 L291 E295 M296 K297 A301 L302P198-I299 HydrophobicContact CB-CG2 3.72Å; P198-I299 HydrophobicContact CG-CG2 3.49Å; P198-I299 VanDerWaalsContact CG-CG2 3.49Å; L244-I299 HydrophobicContact CD2-CG1 4.09Å; L244-I299 HydrophobicContact CD2-CG2 4.21Å; L247-I299 HydrophobicContact CD1-CD1 3.75Å; L247-I299 HydrophobicContact CD1-CG1 3.63Å; I258-I299 HydrophobicContact CG2-CD1 3.69Å; F262-I299 HydrophobicContact CB-CD1 4.29Å; F262-I299 HydrophobicContact CB-CG2 4.12Å; F262-I299 HydrophobicContact CD1-CG2 3.89Å; F262-I299 HydrophobicContact CD2-CB 3.92Å; F262-I299 HydrophobicContact CD2-CD1 4.42Å; F262-I299 HydrophobicContact CD2-CG2 3.54Å; F262-I299 HydrophobicContact CE1-CG2 4.2Å; F262-I299 HydrophobicContact CE2-CB 4.22Å; F262-I299 HydrophobicContact CE2-CG2 3.9Å; F262-I299 HydrophobicContact CG-CB 4.37Å; F262-I299 HydrophobicContact CG-CG2 3.54Å; F262-I299 HydrophobicContact CZ-CG2 4.2Å; L291-I299 HydrophobicContact CD1-CD1 3.66Å; L291-I299 HydrophobicContact CD2-CD1 4.12Å; L291-I299 HydrophobicContact CG-CD1 4.49Å; E295-I299 WeakPolarHBondContact O-CB 3.27Å; E295-I299 WeakPolarHBondContact O-CD1 3.31Å; E295-I299 WeakPolarHBondContact O-CG1 3.32Å; E295-I299 PolarHBondContact O-N 3.14Å; M296-I299 PolarHBondContact O-N 3.3Å; K297-I299 VanDerWaalsContact C-N 3.31Å; K297-I299 PolarHBondContact O-N 3.48Å; I299-A301 VanDerWaalsContact C-N 3.26Å; I299-A301 PolarHBondContact O-N 3.3Å; I299-L302 VanDerWaalsContact O-CB 3.29Å; I299-L302 WeakPolarHBondContact O-CB 3.17Å; I299-L302 PolarHBondContact O-N 2.68Å; I299-L302 VanDerWaalsContact O-N 3.13Å
300E98.8Very high98.6Very high82 Ų8256.7 Ų56.738%0.38330%0.3SS..Hα-helixtrans-61-36.2174.2-76.1-176.6165.600112.4F262 R266 M296 K297 L302 N303F262-E300 HydrophobicContact CE2-CG 3.58Å; F262-E300 HydrophobicContact CZ-CG 3.66Å; R266-E300 IonicContact NH1-OE1 3.89Å; M296-E300 WeakPolarHBondContact O-CG 3.15Å; M296-E300 PolarHBondContact O-N 3.1Å; K297-E300 PolarHBondContact O-N 2.88Å; E300-L302 PolarHBondContact O-N 2.76Å; E300-N303 VanDerWaalsContact O-CB 3.29Å; E300-N303 WeakPolarHBondContact O-CB 3.45Å; E300-N303 PolarHBondContact O-N 3.16Å; E300-N303 VanDerWaalsContact O-N 3.16Å
301A98.8Very high98.6Very high81 Ų8154.3 Ų54.367%0.66928%0.282SS*.THydrogen-bonded Turntrans-68-14.1177.300000113.6K297 D298 I299 N303K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 3.37Å; D298-A301 PolarHBondContact O-N 2.62Å; I299-A301 VanDerWaalsContact C-N 3.26Å; I299-A301 PolarHBondContact O-N 3.3Å; A301-N303 PolarHBondContact O-N 3.35Å
302L98.8Very high98.6Very high29 Ų2958.9 Ų58.915%0.15231%0.306CS..THydrogen-bonded Turntrans-70.2-6.9171.5-62.4177.9000113.3P198 Y199 L243 L244 I299 E300 K304P198-L302 HydrophobicContact CB-CB 4.14Å; P198-L302 HydrophobicContact CB-CD1 4.08Å; P198-L302 CarbonylContact O-C 3.48Å; Y199-L302 HydrophobicContact CD1-CB 4.29Å; Y199-L302 WeakPolarHBondContact CD1-O 3.46Å; Y199-L302 HydrophobicContact CE1-CB 4.46Å; L243-L302 HydrophobicContact CB-CD1 4.48Å; L243-L302 HydrophobicContact CB-CD2 4.27Å; L243-L302 HydrophobicContact CD2-CD1 4.09Å; L243-L302 HydrophobicContact CD2-CD2 3.71Å; L243-L302 HydrophobicContact CD2-CG 3.95Å; L244-L302 HydrophobicContact CD1-CD1 4.31Å; L244-L302 HydrophobicContact CD2-CD1 3.71Å; L244-L302 HydrophobicContact CG-CD1 3.75Å; I299-L302 VanDerWaalsContact O-CB 3.29Å; I299-L302 WeakPolarHBondContact O-CB 3.17Å; I299-L302 PolarHBondContact O-N 2.68Å; I299-L302 VanDerWaalsContact O-N 3.13Å; E300-L302 PolarHBondContact O-N 2.76Å; L302-K304 WeakPolarHBondContact O-CG 3.44Å; L302-K304 PolarHBondContact O-N 3.04Å
303N98.8Very high98.5Very high49 Ų4958.9 Ų58.926%0.26230%0.302SS..  trans-57.6121.5-178.4-175.541000111.4P198 Y199 F200 T201 E300 A301 N305P198-N303 WeakPolarHBondContact O-CA 3.41Å; P198-N303 PolarHBondContact O-N 3.19Å; Y199-N303 PolarHBondContact O-OD1 2.81Å; F200-N303 WeakPolarHBondContact CA-OD1 3.44Å; T201-N303 HydrophobicContact CG2-CB 3.86Å; T201-N303 PolarHBondContact N-OD1 2.94Å; T201-N303 WeakPolarHBondContact OG1-CB 3.4Å; T201-N303 PolarHBondContact OG1-OD1 3.37Å; E300-N303 VanDerWaalsContact O-CB 3.29Å; E300-N303 WeakPolarHBondContact O-CB 3.45Å; E300-N303 PolarHBondContact O-N 3.16Å; E300-N303 VanDerWaalsContact O-N 3.16Å; A301-N303 PolarHBondContact O-N 3.35Å; N303-N305 PolarHBondContact OD1-N 2.97Å
304K98.6Very high98.5Very high86 Ų8653 Ų5337%0.37427%0.274SS..  trans-98.1-11.4177.8-59.5-175.3-179.8174.70112.3Y199 L302 V306Y199-K304 HydrophobicContact CD1-CD 4.02Å; Y199-K304 HydrophobicContact CD1-CG 4.22Å; Y199-K304 HydrophobicContact CD2-CD 4.2Å; Y199-K304 HydrophobicContact CE1-CD 4.31Å; Y199-K304 VanDerWaalsContact CE2-NZ 3.35Å; Y199-K304 HydrophobicContact CG-CD 3.95Å; Y199-K304 HydrophobicContact CG-CG 4.32Å; Y199-K304 PolarHBondContact O-N 2.85Å; Y199-K304 PolarHBondContact OH-NZ 2.95Å; L302-K304 WeakPolarHBondContact O-CG 3.44Å; L302-K304 PolarHBondContact O-N 3.04Å; K304-V306 HydrophobicContact CB-CB 4.25Å; K304-V306 HydrophobicContact CB-CG2 4.28Å; K304-V306 PolarHBondContact O-N 3.3Å
305N98.1Very high98.5Very high103 Ų10353.4 Ų53.455%0.55127%0.27SS*.  trans53.829.2-168.3-152.735.6000112.8Y199 F200 N303Y199-N305 PolarHBondContact O-N 3.12Å; F200-N305 WeakPolarHBondContact CE2-OD1 3.26Å; N303-N305 PolarHBondContact OD1-N 2.97Å
306V97.8Very high98.5Very high58 Ų5858 Ų5835%0.35229%0.294SS..  trans-118.4121.8178176.30000109K304K304-V306 HydrophobicContact CB-CB 4.25Å; K304-V306 HydrophobicContact CB-CG2 4.28Å; K304-V306 PolarHBondContact O-N 3.3Å
307R98.6Very high98.5Very high35 Ų3557.4 Ų57.413%0.13229%0.291CS..  trans-76.9138.3176-64.2173.4-170.7-89.41.3111.1E195 F200E195-R307 WeakPolarHBondContact OE1-CA 3.42Å; E195-R307 WeakPolarHBondContact OE2-CB 3.33Å; F200-R307 HydrophobicContact CD1-CG 4.04Å; F200-R307 HydrophobicContact CD2-CG 4.06Å; F200-R307 HydrophobicContact CE1-CG 3.77Å; F200-R307 HydrophobicContact CE2-CG 3.81Å; F200-R307 HydrophobicContact CG-CG 4.2Å; F200-R307 HydrophobicContact CZ-CG 3.68Å
308F98.6Very high98.5Very high0 Ų055.8 Ų55.80%030%0.295CS..SBendtrans-73.6-31159.3-75.3-55.4000111.6E195 H197 Y199 T224 R226 V231 N232 S235 P236 L238 P310E195-F308 PolarHBondContact OE1-N 3.11Å; E195-F308 PolarHBondContact OE2-N 2.96Å; H197-F308 AromaticContact CE1-CD2 3.55Å; H197-F308 AromaticContact CE1-CE2 3.8Å; H197-F308 AromaticContact NE2-CD2 3.37Å; H197-F308 WeakPolarHBondContact NE2-CD2 3.4Å; H197-F308 AromaticContact NE2-CE2 3.94Å; Y199-F308 HydrophobicContact CD2-CE2 4.28Å; Y199-F308 AromaticContact CD2-CZ 3.99Å; Y199-F308 HydrophobicContact CD2-CZ 3.99Å; T224-F308 HydrophobicContact CG2-CB 3.51Å; T224-F308 HydrophobicContact CG2-CD2 4.25Å; T224-F308 HydrophobicContact CG2-CG 4.09Å; R226-F308 VanDerWaalsContact NH1-CE1 3.27Å; V231-F308 CarbonylContact C-O 2.98Å; V231-F308 VanDerWaalsContact CA-O 3.26Å; V231-F308 WeakPolarHBondContact CA-O 3.27Å; V231-F308 HydrophobicContact CG1-CB 4.13Å; V231-F308 HydrophobicContact CG1-CD1 3.97Å; V231-F308 HydrophobicContact CG1-CG 4.39Å; N232-F308 PolarHBondContact N-O 3.24Å; S235-F308 VanDerWaalsContact CB-CE1 3.44Å; S235-F308 WeakPolarHBondContact OG-CE1 3.24Å; P236-F308 WeakPolarHBondContact O-CZ 3.46Å; L238-F308 HydrophobicContact CB-CE2 4.19Å; L238-F308 HydrophobicContact CB-CZ 4.42Å; F308-P310 WeakPolarHBondContact O-CD 3.22Å
309V98.5Very high98.5Very high12 Ų1254.8 Ų54.87%0.07329%0.289CS..  trans-11374.9-176-167.10000110.1E195 Y219 T224 W230 L311E195-V309 WeakPolarHBondContact OE2-CB 3.4Å; E195-V309 PolarHBondContact OE2-N 3.44Å; Y219-V309 HydrophobicContact CE2-CB 4.23Å; Y219-V309 HydrophobicContact CE2-CG2 4.05Å; T224-V309 HydrophobicContact CG2-CG2 3.87Å; W230-V309 HydrophobicContact CE3-CG1 4.26Å; W230-V309 HydrophobicContact CE3-CG2 3.84Å; W230-V309 HydrophobicContact CZ3-CG2 3.66Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 HydrophobicContact CG1-CD2 3.74Å; V309-L311 HydrophobicContact CG1-CG 4.12Å; V309-L311 PolarHBondContact O-N 3.43Å
310P97.9Very high98.5Very high22 Ų2255.4 Ų55.414%0.14329%0.291CS..  trans-79.9-13.8-17634.9-39.8000113.3N232 F308 L312 Y320N232-P310 HydrophobicContact CB-CG 4.27Å; F308-P310 WeakPolarHBondContact O-CD 3.22Å; P310-L312 HydrophobicContact CB-CD1 4.49Å; P310-L312 HydrophobicContact CB-CD2 3.92Å; P310-L312 HydrophobicContact CB-CG 3.78Å; P310-L312 HydrophobicContact CG-CD1 4.22Å; P310-L312 HydrophobicContact CG-CD2 4.47Å; P310-L312 HydrophobicContact CG-CG 3.79Å; P310-L312 PolarHBondContact O-N 3.02Å; P310-L312 VanDerWaalsContact O-N 3.12Å; P310-Y320 WeakPolarHBondContact O-CE2 3.4Å; P310-Y320 PolarHBondContact O-OH 2.99Å
311L97.8Very high98.5Very high18 Ų1851.6 Ų51.69%0.09427%0.273CS..  trans51.736.2-178.6-54.4179.8000113.9M123 V309 M313 W314 Y320 F322M123-L311 HydrophobicContact CE-CD1 4.3Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 HydrophobicContact CG1-CD2 3.74Å; V309-L311 HydrophobicContact CG1-CG 4.12Å; V309-L311 PolarHBondContact O-N 3.43Å; L311-M313 HydrophobicContact CB-SD 4.33Å; L311-M313 PolarHBondContact O-N 3.36Å; L311-W314 HydrophobicContact CB-CE3 4.05Å; L311-W314 HydrophobicContact CB-CZ3 4.48Å; L311-W314 HydrophobicContact CD1-CE3 4.17Å; L311-W314 HydrophobicContact CD1-CZ3 4.09Å; L311-W314 HydrophobicContact CD2-CE3 4.29Å; L311-W314 HydrophobicContact CD2-CZ3 3.87Å; L311-W314 HydrophobicContact CG-CE3 4.4Å; L311-W314 HydrophobicContact CG-CZ3 4.37Å; L311-W314 PolarHBondContact O-N 3.1Å; L311-Y320 HydrophobicContact CB-CE2 4.23Å; L311-F322 HydrophobicContact CB-CE2 4.36Å; L311-F322 HydrophobicContact CD1-CE2 3.87Å; L311-F322 HydrophobicContact CD1-CZ 4.35Å; L311-F322 HydrophobicContact CG-CE2 4.07Å
312L97.9Very high98.5Very high99 Ų9949.1 Ų49.152%0.51825%0.247SC..G310 helixtrans-59.4-23.6-171-66179.3000114.2P310 W314 R315P310-L312 HydrophobicContact CB-CD1 4.49Å; P310-L312 HydrophobicContact CB-CD2 3.92Å; P310-L312 HydrophobicContact CB-CG 3.78Å; P310-L312 HydrophobicContact CG-CD1 4.22Å; P310-L312 HydrophobicContact CG-CD2 4.47Å; P310-L312 HydrophobicContact CG-CG 3.79Å; P310-L312 PolarHBondContact O-N 3.02Å; P310-L312 VanDerWaalsContact O-N 3.12Å; L312-W314 PolarHBondContact O-N 2.76Å; L312-R315 WeakPolarHBondContact O-CB 3.41Å; L312-R315 VanDerWaalsContact O-CG 3.22Å; L312-R315 WeakPolarHBondContact O-CG 3.45Å; L312-R315 PolarHBondContact O-N 2.83Å
313M98.2Very high98.4Very high68 Ų6853.1 Ų53.134%0.33527%0.265SS..G310 helixtrans-63-20.7176.266.6-73.6-75.100113.1W140 L311W140-M313 VanDerWaalsContact CD1-O 3.23Å; W140-M313 HydrophobicContact CH2-CG 4.48Å; W140-M313 HydrophobicContact CZ2-CB 3.84Å; W140-M313 HydrophobicContact CZ2-CG 3.78Å; W140-M313 PolarHBondContact NE1-O 2.96Å; L311-M313 HydrophobicContact CB-SD 4.33Å; L311-M313 PolarHBondContact O-N 3.36Å
314W98.7Very high98.4Very high13 Ų1353.8 Ų53.85%0.04927%0.269CS..G310 helixtrans-112.216.3-179.4-53.6-38.8000113.2W89 M123 F125 Y132 W140 Y142 L311 L312 D316 H317W89-W314 AromaticContact CH2-CH2 3.62Å; W89-W314 HydrophobicContact CH2-CH2 3.62Å; W89-W314 HydrophobicContact CH2-CZ2 4.39Å; W89-W314 HydrophobicContact CH2-CZ3 4.12Å; W89-W314 HydrophobicContact CZ2-CH2 4.13Å; W89-W314 HydrophobicContact CZ2-CZ2 4.48Å; M123-W314 HydrophobicContact CE-CB 4.38Å; M123-W314 HydrophobicContact CE-CD2 4.44Å; M123-W314 HydrophobicContact CE-CE3 3.62Å; M123-W314 HydrophobicContact CE-CZ3 4.33Å; M123-W314 HydrophobicContact SD-CB 3.77Å; M123-W314 HydrophobicContact SD-CE3 4.46Å; F125-W314 HydrophobicContact CE2-CD2 4.31Å; F125-W314 AromaticContact CE2-CE2 3.76Å; F125-W314 AromaticContact CE2-CZ2 3.99Å; F125-W314 HydrophobicContact CE2-CZ2 3.99Å; F125-W314 AromaticContact CE2-NE1 3.79Å; F125-W314 AromaticContact CZ-CD1 3.65Å; F125-W314 AromaticContact CZ-CD2 3.67Å; F125-W314 HydrophobicContact CZ-CD2 3.67Å; F125-W314 AromaticContact CZ-CE2 3.57Å; F125-W314 HydrophobicContact CZ-CE3 4.34Å; F125-W314 AromaticContact CZ-CG 3.76Å; F125-W314 HydrophobicContact CZ-CG 3.76Å; F125-W314 HydrophobicContact CZ-CZ2 4.2Å; F125-W314 AromaticContact CZ-NE1 3.54Å; Y132-W314 HydrophobicContact CD1-CH2 4.35Å; Y132-W314 AromaticContact CD1-CZ2 3.74Å; Y132-W314 HydrophobicContact CD1-CZ2 3.74Å; Y132-W314 AromaticContact CE1-CH2 3.85Å; Y132-W314 HydrophobicContact CE1-CH2 3.85Å; Y132-W314 AromaticContact CE1-CZ2 3.69Å; Y132-W314 HydrophobicContact CE1-CZ2 3.69Å; W140-W314 AromaticContact CD2-CD1 3.79Å; W140-W314 AromaticContact CD2-NE1 3.67Å; W140-W314 AromaticContact CE2-CD1 3.73Å; W140-W314 AromaticContact CE2-NE1 3.6Å; W140-W314 AromaticContact CE3-NE1 3.61Å; W140-W314 AromaticContact CH2-NE1 3.51Å; W140-W314 AromaticContact CZ2-NE1 3.55Å; W140-W314 AromaticContact CZ3-NE1 3.53Å; W140-W314 AromaticContact NE1-CD1 3.98Å; Y142-W314 WeakPolarHBondContact OH-CA 3.42Å; L311-W314 HydrophobicContact CB-CE3 4.05Å; L311-W314 HydrophobicContact CB-CZ3 4.48Å; L311-W314 HydrophobicContact CD1-CE3 4.17Å; L311-W314 HydrophobicContact CD1-CZ3 4.09Å; L311-W314 HydrophobicContact CD2-CE3 4.29Å; L311-W314 HydrophobicContact CD2-CZ3 3.87Å; L311-W314 HydrophobicContact CG-CE3 4.4Å; L311-W314 HydrophobicContact CG-CZ3 4.37Å; L311-W314 PolarHBondContact O-N 3.1Å; L312-W314 PolarHBondContact O-N 2.76Å; W314-D316 PolarHBondContact O-N 3.36Å; W314-D316 VanDerWaalsContact O-N 3.11Å; W314-H317 VanDerWaalsContact O-CB 3.24Å; W314-H317 WeakPolarHBondContact O-CB 3.48Å; W314-H317 PolarHBondContact O-N 2.88Å
315R98.5Very high98.2Very high148 Ų14855.7 Ų55.756%0.55828%0.279SS*.THydrogen-bonded Turntrans-62.3-19.1-177.471.3-178.1-64.5-174.91.4114.1L312 Y320 H323L312-R315 WeakPolarHBondContact O-CB 3.41Å; L312-R315 VanDerWaalsContact O-CG 3.22Å; L312-R315 WeakPolarHBondContact O-CG 3.45Å; L312-R315 PolarHBondContact O-N 2.83Å; R315-Y320 HydrophobicContact CB-CE1 4.49Å; R315-Y320 HydrophobicContact CB-CE2 4.38Å; R315-H323 PolarHBondContact O-CE1 2.97Å; R315-H323 PolarHBondContact O-NE2 2.9Å
316D98.6Very high97.3Very high102 Ų10253.4 Ų53.455%0.54526%0.263SS..THydrogen-bonded Turntrans-88.4-6.3177.264.7-42.6000112.8Y142 W314Y142-D316 WeakPolarHBondContact CE2-OD2 3.35Å; Y142-D316 PolarHBondContact OH-OD1 2.91Å; W314-D316 PolarHBondContact O-N 3.36Å; W314-D316 VanDerWaalsContact O-N 3.11Å
317H98.8Very high97.3Very high3 Ų353.2 Ų53.21%0.01426%0.259CS..SBendtrans-68.7135.5173.2-171.9-75000110.6M123 A124 F125 Y142 S145 W314 E319 Y320M123-H317 VanDerWaalsContact CA-CE1 3.44Å; M123-H317 WeakPolarHBondContact CA-CE1 3.22Å; M123-H317 HydrophobicContact CG-CB 4.17Å; M123-H317 WeakPolarHBondContact CG-ND1 3.48Å; M123-H317 HydrophobicContact SD-CB 3.9Å; A124-H317 PolarHBondContact N-NE2 3.38Å; A124-H317 PolarHBondContact O-NE2 2.6Å; A124-H317 VanDerWaalsContact O-NE2 3.16Å; F125-H317 AromaticContact CE1-CD2 3.92Å; Y142-H317 AromaticContact CD1-CD2 3.52Å; Y142-H317 HydrophobicContact CD2-CB 4.29Å; Y142-H317 AromaticContact CD2-CD2 3.86Å; Y142-H317 HydrophobicContact CE1-CB 4.23Å; Y142-H317 AromaticContact CE1-CD2 3.9Å; Y142-H317 HydrophobicContact CE2-CB 3.89Å; Y142-H317 AromaticContact CG-CD2 3.49Å; Y142-H317 VanDerWaalsContact CG-CD2 3.49Å; S145-H317 PolarHBondContact OG-CE1 3.49Å; S145-H317 VanDerWaalsContact OG-CE1 3.3Å; W314-H317 VanDerWaalsContact O-CB 3.24Å; W314-H317 WeakPolarHBondContact O-CB 3.48Å; W314-H317 PolarHBondContact O-N 2.88Å; H317-E319 VanDerWaalsContact C-N 3.27Å; H317-E319 PolarHBondContact ND1-N 3.32Å; H317-E319 PolarHBondContact O-N 2.87Å; H317-Y320 VanDerWaalsContact O-CB 3.3Å; H317-Y320 WeakPolarHBondContact O-CB 3.34Å; H317-Y320 PolarHBondContact O-N 2.96Å
318P98.7Very high97.2Very high105 Ų10554.2 Ų54.268%0.68227%0.265SS*.THydrogen-bonded Turntrans-56.6-36-178.5-2835.3000115
319E98.8Very high97.2Very high38 Ų3857.2 Ų57.218%0.17828%0.28CS..THydrogen-bonded Turntrans-93.321.3175.4-64.9-58.5149.400114.4P122 M123 R174 Q175 H317 P321P122-E319 HydrophobicContact CB-CB 4.38Å; P122-E319 WeakPolarHBondContact CG-O 3.35Å; P122-E319 WeakPolarHBondContact O-CB 3.42Å; M123-E319 HydrophobicContact CG-CB 4.32Å; M123-E319 WeakPolarHBondContact CG-O 3.39Å; R174-E319 IonicContact CZ-OE2 3.4Å; R174-E319 IonicContact NH2-OE1 3.76Å; R174-E319 IonicContact NH2-OE2 2.76Å; R174-E319 PolarHBondContact NH2-OE2 3.45Å; Q175-E319 PolarHBondContact NE2-O 3.5Å; Q175-E319 PolarHBondContact NE2-OE2 3.23Å; H317-E319 VanDerWaalsContact C-N 3.27Å; H317-E319 PolarHBondContact ND1-N 3.32Å; H317-E319 PolarHBondContact O-N 2.87Å; E319-P321 VanDerWaalsContact O-CD 3.31Å; E319-P321 WeakPolarHBondContact O-CD 3.4Å; E319-P321 VanDerWaalsContact O-N 3.12Å
320Y98.9Very high97.1Very high13 Ų1359.8 Ų59.85%0.05129%0.292CS..  trans-58.3119.9173.9175.1-100000110.1M123 P310 L311 R315 H317 F322 H323M123-Y320 HydrophobicContact SD-CD2 4.3Å; P310-Y320 WeakPolarHBondContact O-CE2 3.4Å; P310-Y320 PolarHBondContact O-OH 2.99Å; L311-Y320 HydrophobicContact CB-CE2 4.23Å; R315-Y320 HydrophobicContact CB-CE1 4.49Å; R315-Y320 HydrophobicContact CB-CE2 4.38Å; H317-Y320 VanDerWaalsContact O-CB 3.3Å; H317-Y320 WeakPolarHBondContact O-CB 3.34Å; H317-Y320 PolarHBondContact O-N 2.96Å; Y320-F322 VanDerWaalsContact C-N 3.33Å; Y320-F322 HydrophobicContact CD1-CB 4.44Å; Y320-F322 VanDerWaalsContact CE1-C 3.43Å; Y320-F322 HydrophobicContact CE1-CB 3.64Å; Y320-F322 HydrophobicContact CE1-CG 4.47Å; Y320-F322 HydrophobicContact CE2-CD2 4.01Å; Y320-F322 AromaticContact CZ-CD2 3.86Å; Y320-F322 PolarHBondContact O-N 2.99Å; Y320-H323 HydrophobicContact CD1-CB 4.37Å; Y320-H323 AromaticContact CD1-CD2 3.45Å; Y320-H323 VanDerWaalsContact CD1-CD2 3.45Å; Y320-H323 WeakPolarHBondContact CD1-CD2 3.35Å; Y320-H323 AromaticContact CD1-CE1 3.65Å; Y320-H323 AromaticContact CD1-CG 3.63Å; Y320-H323 AromaticContact CD1-ND1 3.78Å; Y320-H323 AromaticContact CD1-NE2 3.45Å; Y320-H323 WeakPolarHBondContact CD1-NE2 3.18Å; Y320-H323 AromaticContact CE1-CE1 3.91Å; Y320-H323 AromaticContact CE1-ND1 3.87Å
321P98.6Very high97Very high1 Ų162.2 Ų62.21%0.00630%0.302CS..THydrogen-bonded Turntrans-77.6-15.2-164.525.6-32.8000114.6P122 N170 N172 E319P122-P321 HydrophobicContact CG-CB 3.98Å; P122-P321 HydrophobicContact CG-CG 4.07Å; N170-P321 HydrophobicContact CB-CG 4.34Å; N170-P321 WeakPolarHBondContact O-CB 3.37Å; N170-P321 VanDerWaalsContact O-CG 3.29Å; N170-P321 WeakPolarHBondContact O-CG 3.27Å; N172-P321 WeakPolarHBondContact CB-O 3.42Å; N172-P321 PolarHBondContact ND2-O 3.14Å; N172-P321 VanDerWaalsContact ND2-O 3.09Å; E319-P321 VanDerWaalsContact O-CD 3.31Å; E319-P321 WeakPolarHBondContact O-CD 3.4Å; E319-P321 VanDerWaalsContact O-N 3.12Å
322F98.6Very high97Very high29 Ų2965.1 Ų65.113%0.12732%0.316CS..THydrogen-bonded Turntrans-109.618.1-167.3-42.6-42.5000114N170 L311 Y320N170-F322 HydrophobicContact CB-CZ 4.27Å; L311-F322 HydrophobicContact CB-CE2 4.36Å; L311-F322 HydrophobicContact CD1-CE2 3.87Å; L311-F322 HydrophobicContact CD1-CZ 4.35Å; L311-F322 HydrophobicContact CG-CE2 4.07Å; Y320-F322 VanDerWaalsContact C-N 3.33Å; Y320-F322 HydrophobicContact CD1-CB 4.44Å; Y320-F322 VanDerWaalsContact CE1-C 3.43Å; Y320-F322 HydrophobicContact CE1-CB 3.64Å; Y320-F322 HydrophobicContact CE1-CG 4.47Å; Y320-F322 HydrophobicContact CE2-CD2 4.01Å; Y320-F322 AromaticContact CZ-CD2 3.86Å; Y320-F322 PolarHBondContact O-N 2.99Å
323H98.3Very high96.9Very high113 Ų11362.7 Ų62.752%0.52330%0.301SS..SBendtrans-76.4-42.6164.5-73.5-42.5000111R315 Y320R315-H323 PolarHBondContact O-CE1 2.97Å; R315-H323 PolarHBondContact O-NE2 2.9Å; Y320-H323 HydrophobicContact CD1-CB 4.37Å; Y320-H323 AromaticContact CD1-CD2 3.45Å; Y320-H323 VanDerWaalsContact CD1-CD2 3.45Å; Y320-H323 WeakPolarHBondContact CD1-CD2 3.35Å; Y320-H323 AromaticContact CD1-CE1 3.65Å; Y320-H323 AromaticContact CD1-CG 3.63Å; Y320-H323 AromaticContact CD1-ND1 3.78Å; Y320-H323 AromaticContact CD1-NE2 3.45Å; Y320-H323 WeakPolarHBondContact CD1-NE2 3.18Å; Y320-H323 AromaticContact CE1-CE1 3.91Å; Y320-H323 AromaticContact CE1-ND1 3.87Å
324D97.6Very high96.8Very high63 Ų6362.3 Ų62.334%0.33730%0.298SS..SBendtrans-69.7156.8176.9-60.4-21.4000109.9N172 R174 Y326N172-D324 PolarHBondContact ND2-OD2 3.17Å; R174-D324 IonicContact CZ-OD2 2.7Å; R174-D324 IonicContact NH1-OD1 3.88Å; R174-D324 IonicContact NH1-OD2 2.8Å; R174-D324 PolarHBondContact NH1-OD2 3.19Å; D324-Y326 VanDerWaalsContact C-N 3.33Å; D324-Y326 PolarHBondContact O-N 2.88Å
325E95.3Very high96.6Very high126 Ų12666.4 Ų66.459%0.58932%0.319SS*.  trans-61.6-38.6-177.1-174.1-175.6-147.700113K204K204-E325 HydrophobicContact CD-CG 4.44Å; K204-E325 IonicContact NZ-OE1 3.74Å; K204-E325 PolarHBondContact NZ-OE1 3.03Å; K204-E325 IonicContact NZ-OE2 3.54Å; K204-E325 PolarHBondContact NZ-OE2 3.37Å
326Y79.1Confident96.5Very high56 Ų5659 Ų5922%0.2230%0.297CS..  trans-157.50-179.263.8-81000114.5N172 R173 K204 L205 F208 D324N172-Y326 WeakPolarHBondContact CA-OXT 3.34Å; R173-Y326 HydrophobicContact CB-CD2 3.99Å; R173-Y326 HydrophobicContact CB-CE2 3.99Å; R173-Y326 VanDerWaalsContact CB-O 3.29Å; R173-Y326 WeakPolarHBondContact CB-O 3.49Å; R173-Y326 VanDerWaalsContact CD-CE2 3.44Å; R173-Y326 HydrophobicContact CG-CE2 4.24Å; R173-Y326 PolarHBondContact N-O 3.34Å; R173-Y326 PolarHBondContact N-OXT 3.43Å; R173-Y326 PolarHBondContact NH1-OH 3.02Å; K204-Y326 HydrophobicContact CB-CD1 3.66Å; K204-Y326 HydrophobicContact CB-CD2 3.59Å; K204-Y326 HydrophobicContact CB-CE1 4.07Å; K204-Y326 HydrophobicContact CB-CE2 3.93Å; K204-Y326 HydrophobicContact CB-CG 3.43Å; K204-Y326 VanDerWaalsContact CB-CG 3.43Å; K204-Y326 HydrophobicContact CD-CD1 3.55Å; K204-Y326 HydrophobicContact CD-CE1 3.73Å; K204-Y326 HydrophobicContact CD-CG 4.22Å; K204-Y326 HydrophobicContact CG-CD1 4.24Å; K204-Y326 HydrophobicContact CG-CE1 4.47Å; K204-Y326 HydrophobicContact CG-CG 4.45Å; L205-Y326 HydrophobicContact CB-CD2 4.49Å; F208-Y326 HydrophobicContact CB-CE2 4.49Å; D324-Y326 VanDerWaalsContact C-N 3.33Å; D324-Y326 PolarHBondContact O-N 2.88Å

Retrieved 326 of 326 residues in 474.1 ms (Link to these results)

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