A0A087YNL1_POEFO Loading...

Protein phosphatase methylesterase 1

Demethylates proteins that have been reversibly carboxymethylated. Demethylates PPP2CB (in vitro) and PPP2CA. Binding to PPP2CA displaces the manganese ion and inactivates the enzyme.

AlphaFold DB , UniProt , Accession A0A087YNL1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1M39.1Very low72.6Confident238 Ų238109.4 Ų109.4100%1.17258%0.578SS**  0106.50-76.2172.8-175.400108.2L3M1-L3 PolarHBondContact O-N 3.1Å
2S35Very low74.8Confident114 Ų114106.7 Ų106.780%0.79756%0.555SS**  trans-81.7106.1170.7-176.40000107.4T4S2-T4 VanDerWaalsContact C-N 3.33Å; S2-T4 PolarHBondContact O-N 3.34Å
3L44Very low76.6Confident160 Ų160105.5 Ų105.584%0.83856%0.56SS**  trans-68.295.3168-78.4157.5000106.8M1 T5M1-L3 PolarHBondContact O-N 3.1Å; L3-T5 PolarHBondContact O-N 2.89Å
4T47.7Very low78.2Confident85 Ų85101.6 Ų101.652%0.52155%0.546SS..  trans-59.3113.5170.444.10000108.2S2 Q6 I8S2-T4 VanDerWaalsContact C-N 3.33Å; S2-T4 PolarHBondContact O-N 3.34Å; T4-Q6 PolarHBondContact O-N 2.8Å; T4-I8 HydrophobicContact CG2-CD1 4.12Å
5T61.9Low79.4Confident129 Ų12998.1 Ų98.179%0.79154%0.543SS*.  trans-74.9-7.1-177.347.90000113.4L3L3-T5 PolarHBondContact O-N 2.89Å
6Q83.9Confident80.1Confident149 Ų14999.1 Ų99.170%0.69656%0.558SS**SBendtrans-120.5148.1-174.7-65.9178.3-5.100111.5T4T4-Q6 PolarHBondContact O-N 2.8Å
7N94.1Very high81Confident66 Ų6696.6 Ų96.635%0.35355%0.549SS..  trans-70.5132.5169.8-64.2-27.4000109F9 V62 K63N7-F9 HydrophobicContact CB-CD2 4.49Å; N7-F9 HydrophobicContact CB-CE2 3.83Å; N7-V62 HydrophobicContact CB-CG1 4.15Å; N7-V62 WeakPolarHBondContact OD1-CA 3.33Å; N7-K63 PolarHBondContact OD1-N 3.34Å
8I97.6Very high81.9Confident85 Ų8592.9 Ų92.944%0.43654%0.536SS..BIsolated β-bridgetrans-118.2115.3178.8-59.6171.2000107.7T4 T60 K61T4-I8 HydrophobicContact CG2-CD1 4.12Å; I8-T60 CarbonylContact O-C 3.59Å; I8-T60 WeakPolarHBondContact O-CA 3.48Å; I8-K61 PolarHBondContact N-O 3.27Å; I8-K61 PolarHBondContact O-N 3.28Å
9F98.4Very high82.8Confident40 Ų4088.4 Ų88.418%0.17551%0.51CS..  trans-98.1135176-69.6-87.4000110.5N7 M52 T60 V62 D76 V80N7-F9 HydrophobicContact CB-CD2 4.49Å; N7-F9 HydrophobicContact CB-CE2 3.83Å; F9-M52 HydrophobicContact CB-CE 4.48Å; F9-M52 HydrophobicContact CD1-CE 3.37Å; F9-M52 HydrophobicContact CE1-CE 3.77Å; F9-M52 HydrophobicContact CG-CE 4.03Å; F9-T60 WeakPolarHBondContact CA-OG1 3.45Å; F9-T60 HydrophobicContact CD1-CG2 3.43Å; F9-T60 VanDerWaalsContact CD1-CG2 3.43Å; F9-T60 HydrophobicContact CE1-CG2 3.68Å; F9-T60 HydrophobicContact CG-CG2 4.19Å; F9-V62 HydrophobicContact CE1-CG1 4.07Å; F9-V62 HydrophobicContact CE2-CG1 4.4Å; F9-V62 HydrophobicContact CZ-CG1 3.76Å; F9-D76 HydrophobicContact CE1-CB 3.89Å; F9-D76 HydrophobicContact CE2-CB 4.4Å; F9-D76 HydrophobicContact CZ-CB 3.58Å; F9-V80 HydrophobicContact CB-CG2 3.8Å; F9-V80 HydrophobicContact CD1-CG2 4.34Å; F9-V80 HydrophobicContact CD2-CG2 3.77Å; F9-V80 HydrophobicContact CE2-CG2 4.48Å; F9-V80 HydrophobicContact CG-CG2 3.7Å
10R98.6Very high83.6Confident95 Ų9584.1 Ų84.136%0.35849%0.485SS..  trans-89.2131.1175173.662.559.771.79.6110Y12 D53 D59 T60R10-Y12 HydrophobicContact CG-CD2 4.3Å; R10-Y12 HydrophobicContact CG-CE2 3.58Å; R10-D53 HydrophobicContact CB-CB 4.02Å; R10-D53 WeakPolarHBondContact CB-OD2 3.49Å; R10-D53 WeakPolarHBondContact CG-OD2 3.26Å; R10-D53 PolarHBondContact O-N 3.19Å; R10-D59 HydrophobicContact CB-CB 4.09Å; R10-D59 HydrophobicContact CG-CB 4.16Å; R10-D59 IonicContact CZ-OD2 2.99Å; R10-D59 IonicContact NH1-OD2 3.21Å; R10-D59 PolarHBondContact NH1-OD2 3.39Å; R10-D59 IonicContact NH2-OD2 2.67Å; R10-T60 PolarHBondContact N-OG1 3.01Å
11L98.8Very high84.3Confident42 Ų4280 Ų8022%0.2246%0.462CS..EExtended strand (participates in β ladder)trans-123.6148.4175.5-52176.8000110.3V50 A51 M52 V80 L84L11-V50 HydrophobicContact CB-CG1 4.41Å; L11-V50 HydrophobicContact CD1-CG1 4.12Å; L11-V50 HydrophobicContact CD2-CG1 4.08Å; L11-V50 HydrophobicContact CG-CG1 4.44Å; L11-A51 CarbonylContact C-O 3.55Å; L11-A51 WeakPolarHBondContact CA-O 3.37Å; L11-M52 HydrophobicContact CD2-CB 3.69Å; L11-M52 HydrophobicContact CD2-CG 3.74Å; L11-V80 HydrophobicContact CD1-CG1 4.11Å; L11-V80 HydrophobicContact CD2-CG1 3.95Å; L11-L84 HydrophobicContact CD1-CD1 3.71Å; L11-L84 HydrophobicContact CD1-CD2 3.78Å; L11-L84 HydrophobicContact CD1-CG 4.07Å
12Y98.8Very high87.1Confident77 Ų7768.9 Ų68.930%0.30241%0.407SS..EExtended strand (participates in β ladder)trans-120.4123.4168.3-60.1-96.1000108R10 A31 L32 A51R10-Y12 HydrophobicContact CG-CD2 4.3Å; R10-Y12 HydrophobicContact CG-CE2 3.58Å; Y12-A31 HydrophobicContact CD2-CB 3.46Å; Y12-A31 VanDerWaalsContact CD2-CB 3.46Å; Y12-A31 HydrophobicContact CE2-CB 3.84Å; Y12-L32 HydrophobicContact CD1-CD2 4.04Å; Y12-L32 HydrophobicContact CD2-CD2 4.4Å; Y12-L32 HydrophobicContact CE1-CD2 3.66Å; Y12-L32 HydrophobicContact CE2-CD2 4.04Å; Y12-L32 HydrophobicContact CE2-CG 4.35Å; Y12-L32 HydrophobicContact CG-CD2 4.4Å; Y12-A51 PolarHBondContact N-O 3.14Å; Y12-A51 PolarHBondContact O-N 3.26Å
13C98.5Very high90.2Very high92 Ų9263.5 Ų63.562%0.62237%0.369SS*.EExtended strand (participates in β ladder)trans-117.8146.2-171-57.70000111.8V49C13-V49 WeakPolarHBondContact CA-O 3.29Å
14S98.3Very high92.8Very high51 Ų5155.9 Ų55.936%0.35733%0.329SS..EExtended strand (participates in β ladder)trans-147.8157.9174-172.60000111.1R48 V49S14-R48 CarbonylContact O-C 3.44Å; S14-R48 VanDerWaalsContact O-CA 3.29Å; S14-R48 WeakPolarHBondContact O-CA 3.46Å; S14-V49 PolarHBondContact N-O 3.09Å; S14-V49 VanDerWaalsContact N-O 3.08Å; S14-V49 PolarHBondContact O-N 3.45Å
15G95.8Very high95.2Very high49 Ų4951.8 Ų51.851%0.50530%0.304SS..  trans76.7166.9-178.100000114.2
16S91.6Very high97Very high113 Ų11345.7 Ų45.779%0.7927%0.267SS*.SBendtrans-131.7-14.3-174.355.10000114.5
17S94.9Very high97.6Very high58 Ų5839.3 Ų39.341%0.40624%0.241SC..SBendtrans-139.1167.8-174.459.40000112.2S46 C47 R48S17-S46 PolarHBondContact OG-OG 3.01Å; S17-C47 CarbonylContact O-C 3.48Å; S17-C47 WeakPolarHBondContact O-CA 3.39Å; S17-C47 PolarHBondContact O-N 2.88Å; S17-R48 PolarHBondContact O-N 2.79Å
18G97.1Very high97.7Very high30 Ų3036.5 Ų36.531%0.30923%0.228SC..SBendtrans78.7-174.7178.100000114R48G18-R48 VanDerWaalsContact O-CZ 3.31Å; G18-R48 PolarHBondContact O-NE 2.95Å; G18-R48 PolarHBondContact O-NH2 2.64Å
19P98.5Very high97.7Very high6 Ų633.3 Ų33.34%0.03921%0.211CC..  trans-62.5153.8178.628.2-36.8000111.7C47 R48 P91 L117 M310 F315P19-C47 WeakPolarHBondContact O-CA 3.48Å; P19-R48 PolarHBondContact O-N 3.37Å; P19-P91 CarbonylContact C-O 3.53Å; P19-P91 VanDerWaalsContact CA-O 3.32Å; P19-P91 WeakPolarHBondContact CA-O 3.39Å; P19-P91 HydrophobicContact CB-CB 4.41Å; P19-L117 HydrophobicContact CB-CD2 4.31Å; P19-M310 HydrophobicContact CB-CE 4.18Å; P19-M310 HydrophobicContact CG-CE 3.52Å; P19-F315 WeakPolarHBondContact CD-O 3.43Å; P19-F315 WeakPolarHBondContact CG-O 3.3Å
20V98.9Very high97.7Very high2 Ų231.5 Ų31.51%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-87.9126.2173.4171.40000109.5R48 V50 P90 P91 I92 M93V20-R48 CarbonylContact C-O 2.97Å; V20-R48 WeakPolarHBondContact CA-O 3.42Å; V20-R48 HydrophobicContact CG2-CB 3.9Å; V20-V50 HydrophobicContact CG1-CB 4.13Å; V20-V50 HydrophobicContact CG1-CG2 3.71Å; V20-P90 HydrophobicContact CB-CG 4.36Å; V20-P90 HydrophobicContact CG2-CB 4.3Å; V20-P90 HydrophobicContact CG2-CG 3.55Å; V20-P91 PolarHBondContact N-O 3.03Å; V20-I92 HydrophobicContact CB-CG1 3.92Å; V20-I92 HydrophobicContact CG1-CG1 4.27Å; V20-I92 CarbonylContact O-C 3.56Å; V20-I92 WeakPolarHBondContact O-CA 3.38Å; V20-M93 PolarHBondContact O-N 2.91Å
21L98.9Very high97.7Very high0 Ų027 Ų270%019%0.187CC..EExtended strand (participates in β ladder)trans-91.3104.9168-50.8-172000108L23 I41 C47 R48 V49 V50 M93 I95 L306 M310L21-L23 HydrophobicContact CB-CD2 3.91Å; L21-I41 HydrophobicContact CD1-CG1 3.77Å; L21-I41 HydrophobicContact CD1-CG2 4.15Å; L21-C47 HydrophobicContact CD1-CB 4.2Å; L21-C47 HydrophobicContact CG-CB 4.11Å; L21-R48 PolarHBondContact N-O 2.84Å; L21-V49 HydrophobicContact CB-CG2 4.27Å; L21-V49 HydrophobicContact CD1-CG2 4.25Å; L21-V50 PolarHBondContact O-N 3.18Å; L21-M93 WeakPolarHBondContact CA-O 3.3Å; L21-M93 HydrophobicContact CD2-CB 3.96Å; L21-I95 HydrophobicContact CB-CD1 3.86Å; L21-I95 HydrophobicContact CD2-CD1 4.16Å; L21-I95 HydrophobicContact CG-CD1 4.46Å; L21-L306 HydrophobicContact CD1-CD2 4.09Å; L21-M310 HydrophobicContact CD2-CE 3.58Å; L21-M310 HydrophobicContact CD2-SD 3.53Å; L21-M310 VanDerWaalsContact CD2-SD 3.53Å
22L98.9Very high97.7Very high4 Ų426.6 Ų26.62%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-90.3110177.2179.757.7000109.2L24 V50 V77 V81 I92 M93 M94 I95L22-L24 HydrophobicContact CD1-CD2 4.46Å; L22-L24 HydrophobicContact CG-CD2 4.26Å; L22-V50 WeakPolarHBondContact CA-O 3.04Å; L22-V50 HydrophobicContact CD1-CB 4.19Å; L22-V50 HydrophobicContact CD1-CG1 3.91Å; L22-V77 HydrophobicContact CD2-CG1 3.75Å; L22-V81 HydrophobicContact CD2-CG2 3.76Å; L22-I92 HydrophobicContact CB-CG2 3.99Å; L22-I92 HydrophobicContact CD2-CG2 4.47Å; L22-M93 PolarHBondContact N-O 3.37Å; L22-M94 HydrophobicContact CB-CG 4.26Å; L22-M94 HydrophobicContact CD2-CG 4.14Å; L22-M94 HydrophobicContact CD2-SD 4.36Å; L22-M94 HydrophobicContact CG-CG 4.49Å; L22-M94 WeakPolarHBondContact O-CA 3.26Å; L22-I95 PolarHBondContact O-N 2.66Å
23L98.9Very high97.7Very high0 Ų023 Ų230%017%0.17CC..EExtended strand (participates in β ladder)trans-104.8122.7-168.8-44.7-177.1000111.5L21 W34 F37 V49 V50 A51 M52 I95L21-L23 HydrophobicContact CB-CD2 3.91Å; L23-W34 HydrophobicContact CB-CB 4.4Å; L23-W34 HydrophobicContact CB-CD2 3.8Å; L23-W34 HydrophobicContact CB-CE3 4.48Å; L23-W34 HydrophobicContact CB-CG 3.72Å; L23-W34 HydrophobicContact CB-CZ2 4.5Å; L23-W34 HydrophobicContact CD1-CB 3.56Å; L23-W34 HydrophobicContact CD1-CD2 3.9Å; L23-W34 HydrophobicContact CD1-CE3 4.06Å; L23-W34 HydrophobicContact CD1-CG 3.69Å; L23-W34 HydrophobicContact CG-CD2 4.36Å; L23-W34 HydrophobicContact CG-CG 4.35Å; L23-F37 HydrophobicContact CD1-CD1 3.81Å; L23-F37 HydrophobicContact CD1-CE1 3.69Å; L23-F37 HydrophobicContact CD2-CE1 3.96Å; L23-V49 HydrophobicContact CD1-CG1 3.48Å; L23-V49 VanDerWaalsContact CD1-CG1 3.48Å; L23-V49 HydrophobicContact CG-CG1 4.03Å; L23-V50 PolarHBondContact N-O 3.45Å; L23-A51 HydrophobicContact CB-CB 4.17Å; L23-A51 HydrophobicContact CD1-CB 4.26Å; L23-M52 PolarHBondContact O-N 3.49Å; L23-M52 VanDerWaalsContact O-N 3.08Å; L23-I95 CarbonylContact C-O 3.58Å; L23-I95 WeakPolarHBondContact CA-O 3.29Å; L23-I95 HydrophobicContact CD2-CB 3.82Å; L23-I95 HydrophobicContact CD2-CD1 3.59Å; L23-I95 HydrophobicContact CD2-CG1 4.21Å
24L98.9Very high97.7Very high0 Ų018.6 Ų18.60%014%0.141CC..EExtended strand (participates in β ladder)trans-115.5116.7-176.9-50.7-172.1000110.5L22 W34 M52 L54 V77 I95 G96 H97 I103 A104L22-L24 HydrophobicContact CD1-CD2 4.46Å; L22-L24 HydrophobicContact CG-CD2 4.26Å; L24-W34 WeakPolarHBondContact O-CZ2 3.46Å; L24-M52 HydrophobicContact CD2-CB 4.29Å; L24-M52 HydrophobicContact CD2-SD 4.38Å; L24-L54 HydrophobicContact CB-CD1 4.44Å; L24-L54 HydrophobicContact CD2-CD2 4.18Å; L24-V77 HydrophobicContact CD1-CG2 4Å; L24-V77 HydrophobicContact CD2-CG2 4.12Å; L24-I95 PolarHBondContact N-O 2.86Å; L24-G96 WeakPolarHBondContact O-CA 3.43Å; L24-H97 PolarHBondContact O-N 2.85Å; L24-I103 HydrophobicContact CD1-CB 4.48Å; L24-I103 HydrophobicContact CD1-CG2 4.28Å; L24-A104 HydrophobicContact CD1-CB 3.97Å
25H98.8Very high97.8Very high0 Ų017.7 Ų17.70%014%0.136CC..PPolyproline II helixtrans-77.8165.9-175.367.572.6000113.8H29 S30 A31 M52 L54 H57 G100H25-H29 HydrophobicContact CB-CB 4.05Å; H25-H29 PolarHBondContact CE1-O 3.22Å; H25-S30 VanDerWaalsContact CB-O 3.23Å; H25-S30 WeakPolarHBondContact CB-O 3.41Å; H25-S30 VanDerWaalsContact CD2-CA 3.45Å; H25-S30 WeakPolarHBondContact CD2-CA 3.33Å; H25-S30 VanDerWaalsContact CG-C 3.46Å; H25-A31 PolarHBondContact CD2-N 3.37Å; H25-M52 PolarHBondContact CD2-O 3.21Å; H25-M52 VanDerWaalsContact CD2-O 3.22Å; H25-L54 PolarHBondContact NE2-N 2.88Å; H25-H57 WeakPolarHBondContact CE1-CB 3.47Å; H25-H57 AromaticContact CE1-CD2 3.48Å; H25-H57 PolarHBondContact CE1-CD2 3.49Å; H25-H57 VanDerWaalsContact CE1-CD2 3.48Å; H25-H57 AromaticContact CE1-CG 3.37Å; H25-H57 AromaticContact NE2-CG 4Å; H25-G100 VanDerWaalsContact O-CA 3.25Å; H25-G100 WeakPolarHBondContact O-CA 3.18Å; H25-G100 PolarHBondContact O-N 2.9Å
26G98Very high97.9Very high1 Ų115.9 Ų15.91%0.0112%0.115CC..PPolyproline II helixtrans-73.2171.2174.800000114.8G28 H29 H97G26-G28 PolarHBondContact O-N 3.08Å; G26-H29 WeakPolarHBondContact O-CB 3.19Å; G26-H29 PolarHBondContact O-N 3.43Å; G26-H29 VanDerWaalsContact O-N 3.16Å; G26-H97 VanDerWaalsContact CA-O 3.31Å; G26-H97 WeakPolarHBondContact CA-O 3.29Å; G26-H97 PolarHBondContact N-O 2.87Å
27G96.9Very high98.2Very high15 Ų1510.5 Ų10.516%0.1558%0.078CC..THydrogen-bonded Turntrans-63.9131.9-179.600000112H29 L234G27-H29 PolarHBondContact O-CD2 2.94Å; G27-H29 PolarHBondContact O-N 3.21Å; G27-L234 WeakPolarHBondContact O-CD2 3.33Å
28G96.1Very high98.4Very high7 Ų78.6 Ų8.67%0.0726%0.064CC..THydrogen-bonded Turntrans77.6-1.9-176.400000115.2G26 H57G26-G28 PolarHBondContact O-N 3.08Å; G28-H57 PolarHBondContact N-CD2 3.16Å; G28-H57 PolarHBondContact N-NE2 3.37Å
29H98Very high98.5Very high18 Ų1810.4 Ų10.48%0.0838%0.076CC..  trans-92.1-167.3176.1-71.6-131.2000111.5H25 G26 G27 S33 H57 E296H25-H29 HydrophobicContact CB-CB 4.05Å; H25-H29 PolarHBondContact CE1-O 3.22Å; G26-H29 WeakPolarHBondContact O-CB 3.19Å; G26-H29 PolarHBondContact O-N 3.43Å; G26-H29 VanDerWaalsContact O-N 3.16Å; G27-H29 PolarHBondContact O-CD2 2.94Å; G27-H29 PolarHBondContact O-N 3.21Å; H29-S33 PolarHBondContact ND1-OG 3.24Å; H29-H57 PolarHBondContact O-CD2 3.35Å; H29-H57 VanDerWaalsContact O-CD2 3.26Å; H29-E296 IonicContact CE1-OE1 3.62Å; H29-E296 IonicContact ND1-OE1 2.66Å; H29-E296 PolarHBondContact ND1-OE1 3.25Å
30S98.8Very high98.5Very high1 Ų110.6 Ų10.61%0.0078%0.077CC..  trans-145.9175.7170.980.70000110.3H25 L32 S33 D53 G175H25-S30 VanDerWaalsContact CB-O 3.23Å; H25-S30 WeakPolarHBondContact CB-O 3.41Å; H25-S30 VanDerWaalsContact CD2-CA 3.45Å; H25-S30 WeakPolarHBondContact CD2-CA 3.33Å; H25-S30 VanDerWaalsContact CG-C 3.46Å; S30-L32 PolarHBondContact O-N 2.93Å; S30-L32 VanDerWaalsContact O-N 3.07Å; S30-L32 WeakPolarHBondContact OG-CB 3.5Å; S30-L32 PolarHBondContact OG-N 2.63Å; S30-L32 VanDerWaalsContact OG-N 3.16Å; S30-S33 WeakPolarHBondContact O-CB 3.42Å; S30-S33 PolarHBondContact O-N 2.99Å; S30-S33 VanDerWaalsContact O-N 3.09Å; S30-D53 VanDerWaalsContact CB-OD1 3.29Å; S30-D53 WeakPolarHBondContact CB-OD1 3.45Å; S30-G175 WeakPolarHBondContact OG-CA 3.47Å
31A98.8Very high98.4Very high2 Ų210.5 Ų10.52%0.0178%0.077CC..G310 helixtrans-53.7-25.9172.400000113.3Y12 H25 S33 W34 A51 D53Y12-A31 HydrophobicContact CD2-CB 3.46Å; Y12-A31 VanDerWaalsContact CD2-CB 3.46Å; Y12-A31 HydrophobicContact CE2-CB 3.84Å; H25-A31 PolarHBondContact CD2-N 3.37Å; A31-S33 PolarHBondContact O-N 3.32Å; A31-W34 WeakPolarHBondContact O-CB 3.35Å; A31-W34 PolarHBondContact O-N 2.84Å; A31-A51 HydrophobicContact CB-CB 3.83Å; A31-D53 VanDerWaalsContact CB-OD1 3.23Å; A31-D53 WeakPolarHBondContact CB-OD1 3.28Å; A31-D53 PolarHBondContact N-OD1 3.24Å
32L98.8Very high98.4Very high33 Ų3311.4 Ų11.417%0.1738%0.083CC..G310 helixtrans-66.6-18.7-179.9-60.6177.3000113.1Y12 S30 W34 A35Y12-L32 HydrophobicContact CD1-CD2 4.04Å; Y12-L32 HydrophobicContact CD2-CD2 4.4Å; Y12-L32 HydrophobicContact CE1-CD2 3.66Å; Y12-L32 HydrophobicContact CE2-CD2 4.04Å; Y12-L32 HydrophobicContact CE2-CG 4.35Å; Y12-L32 HydrophobicContact CG-CD2 4.4Å; S30-L32 PolarHBondContact O-N 2.93Å; S30-L32 VanDerWaalsContact O-N 3.07Å; S30-L32 WeakPolarHBondContact OG-CB 3.5Å; S30-L32 PolarHBondContact OG-N 2.63Å; S30-L32 VanDerWaalsContact OG-N 3.16Å; L32-W34 PolarHBondContact O-N 3.48Å; L32-W34 VanDerWaalsContact O-N 3.16Å; L32-A35 VanDerWaalsContact O-CB 3.23Å; L32-A35 WeakPolarHBondContact O-CB 3.41Å; L32-A35 PolarHBondContact O-N 3.21Å
33S98.8Very high98.2Very high0 Ų013.9 Ų13.90%010%0.1CC..G310 helixtrans-59.7-21.1169.2-720000112.7H29 S30 A31 H295 E296H29-S33 PolarHBondContact ND1-OG 3.24Å; S30-S33 WeakPolarHBondContact O-CB 3.42Å; S30-S33 PolarHBondContact O-N 2.99Å; S30-S33 VanDerWaalsContact O-N 3.09Å; A31-S33 PolarHBondContact O-N 3.32Å; S33-H295 WeakPolarHBondContact CB-NE2 3.38Å; S33-H295 PolarHBondContact O-CD2 3.25Å; S33-E296 WeakPolarHBondContact CB-OE1 3.27Å; S33-E296 WeakPolarHBondContact O-CG 3.36Å; S33-E296 PolarHBondContact OG-OE1 2.83Å
34W98.9Very high98.1Very high0 Ų016 Ų160%011%0.108CC..G310 helixtrans-91.62.7177.2-60.8103.2000114.1L23 L24 A31 L32 F37 T38 A51 I95 H97 I122 H295L23-W34 HydrophobicContact CB-CB 4.4Å; L23-W34 HydrophobicContact CB-CD2 3.8Å; L23-W34 HydrophobicContact CB-CE3 4.48Å; L23-W34 HydrophobicContact CB-CG 3.72Å; L23-W34 HydrophobicContact CB-CZ2 4.5Å; L23-W34 HydrophobicContact CD1-CB 3.56Å; L23-W34 HydrophobicContact CD1-CD2 3.9Å; L23-W34 HydrophobicContact CD1-CE3 4.06Å; L23-W34 HydrophobicContact CD1-CG 3.69Å; L23-W34 HydrophobicContact CG-CD2 4.36Å; L23-W34 HydrophobicContact CG-CG 4.35Å; L24-W34 WeakPolarHBondContact O-CZ2 3.46Å; A31-W34 WeakPolarHBondContact O-CB 3.35Å; A31-W34 PolarHBondContact O-N 2.84Å; L32-W34 PolarHBondContact O-N 3.48Å; L32-W34 VanDerWaalsContact O-N 3.16Å; W34-F37 HydrophobicContact CE3-CB 4.27Å; W34-F37 AromaticContact CE3-CD1 3.61Å; W34-F37 HydrophobicContact CE3-CD1 3.61Å; W34-F37 HydrophobicContact CE3-CE1 4.13Å; W34-F37 AromaticContact CE3-CG 3.94Å; W34-F37 HydrophobicContact CE3-CG 3.94Å; W34-F37 HydrophobicContact CZ3-CD1 4.25Å; W34-F37 HydrophobicContact CZ3-CE1 4.48Å; W34-F37 HydrophobicContact CZ3-CG 4.41Å; W34-F37 PolarHBondContact O-N 2.93Å; W34-T38 VanDerWaalsContact O-CB 3.29Å; W34-T38 WeakPolarHBondContact O-CB 3.41Å; W34-T38 PolarHBondContact O-N 3.15Å; W34-T38 PolarHBondContact O-OG1 3.11Å; W34-A51 HydrophobicContact CB-CB 4.26Å; W34-I95 HydrophobicContact CH2-CG2 3.68Å; W34-I95 HydrophobicContact CZ3-CG2 4.06Å; W34-H97 HydrophobicContact CH2-CB 4.34Å; W34-H97 HydrophobicContact CZ2-CB 4.02Å; W34-I122 HydrophobicContact CH2-CD1 3.7Å; W34-I122 HydrophobicContact CZ3-CD1 4Å; W34-H295 AromaticContact CD2-CD2 3.74Å; W34-H295 HydrophobicContact CE3-CB 3.99Å; W34-H295 AromaticContact CE3-CD2 3.58Å; W34-H295 AromaticContact CE3-CG 3.93Å; W34-H295 HydrophobicContact CH2-CB 4.11Å; W34-H295 AromaticContact CH2-CG 3.84Å; W34-H295 HydrophobicContact CZ3-CB 3.52Å; W34-H295 AromaticContact CZ3-CD2 3.74Å; W34-H295 AromaticContact CZ3-CG 3.61Å
35A98.8Very high98.1Very high32 Ų3216 Ų1626%0.26411%0.108SC..Hα-helixtrans-60.8-51.5-170.100000113.1L32 T38 A39 V171L32-A35 VanDerWaalsContact O-CB 3.23Å; L32-A35 WeakPolarHBondContact O-CB 3.41Å; L32-A35 PolarHBondContact O-N 3.21Å; A35-T38 WeakPolarHBondContact O-CB 3.25Å; A35-T38 PolarHBondContact O-N 3.31Å; A35-A39 PolarHBondContact O-N 2.64Å; A35-V171 HydrophobicContact CB-CB 4.33Å; A35-V171 HydrophobicContact CB-CG1 3.65Å; A35-V171 HydrophobicContact CB-CG2 3.68Å
36V98.8Very high98Very high11 Ų1117.7 Ų17.77%0.06712%0.12CC..Hα-helixtrans-68-44.8179.9-173.10000110.4T38 A39 V40 E167 V171 P299V36-T38 PolarHBondContact O-N 3.3Å; V36-A39 PolarHBondContact O-N 3.33Å; V36-A39 VanDerWaalsContact O-N 3.14Å; V36-V40 WeakPolarHBondContact O-CG2 3.29Å; V36-V40 PolarHBondContact O-N 3.35Å; V36-V40 VanDerWaalsContact O-N 3.09Å; V36-E167 HydrophobicContact CG2-CB 4.49Å; V36-E167 HydrophobicContact CG2-CG 4.01Å; V36-V171 HydrophobicContact CG2-CG1 4.35Å; V36-P299 HydrophobicContact CB-CB 4.23Å; V36-P299 HydrophobicContact CB-CG 4.15Å; V36-P299 HydrophobicContact CG1-CB 3.95Å; V36-P299 HydrophobicContact CG1-CG 3.56Å
37F98.8Very high98Very high0 Ų017.9 Ų17.90%012%0.121CC..Hα-helixtrans-52.5-42.8173.2164.9-94.8000112.2L23 W34 V40 I41 P299 V302 A303 L306L23-F37 HydrophobicContact CD1-CD1 3.81Å; L23-F37 HydrophobicContact CD1-CE1 3.69Å; L23-F37 HydrophobicContact CD2-CE1 3.96Å; W34-F37 HydrophobicContact CE3-CB 4.27Å; W34-F37 AromaticContact CE3-CD1 3.61Å; W34-F37 HydrophobicContact CE3-CD1 3.61Å; W34-F37 HydrophobicContact CE3-CE1 4.13Å; W34-F37 AromaticContact CE3-CG 3.94Å; W34-F37 HydrophobicContact CE3-CG 3.94Å; W34-F37 HydrophobicContact CZ3-CD1 4.25Å; W34-F37 HydrophobicContact CZ3-CE1 4.48Å; W34-F37 HydrophobicContact CZ3-CG 4.41Å; W34-F37 PolarHBondContact O-N 2.93Å; F37-V40 PolarHBondContact O-N 2.81Å; F37-I41 HydrophobicContact CD1-CG2 4.3Å; F37-I41 HydrophobicContact CE1-CB 4.35Å; F37-I41 HydrophobicContact CE1-CG2 3.84Å; F37-I41 HydrophobicContact CE2-CB 4.13Å; F37-I41 HydrophobicContact CE2-CG1 4.49Å; F37-I41 HydrophobicContact CE2-CG2 4.49Å; F37-I41 HydrophobicContact CZ-CB 3.95Å; F37-I41 HydrophobicContact CZ-CG1 4.13Å; F37-I41 HydrophobicContact CZ-CG2 3.94Å; F37-I41 WeakPolarHBondContact O-CG2 3.32Å; F37-I41 PolarHBondContact O-N 3.39Å; F37-P299 HydrophobicContact CB-CB 4.23Å; F37-V302 HydrophobicContact CD2-CB 4.32Å; F37-V302 HydrophobicContact CD2-CG1 3.86Å; F37-V302 HydrophobicContact CE2-CG1 3.81Å; F37-A303 HydrophobicContact CD2-CB 4.21Å; F37-A303 HydrophobicContact CE2-CB 4.13Å; F37-L306 HydrophobicContact CE2-CD2 4.16Å; F37-L306 HydrophobicContact CZ-CD2 3.59Å
38T98.8Very high98.1Very high19 Ų1920.6 Ų20.612%0.11713%0.127CC..Hα-helixtrans-61.8-45.2179.6-62.80000111.6W34 A35 V36 V40 C42 V49W34-T38 VanDerWaalsContact O-CB 3.29Å; W34-T38 WeakPolarHBondContact O-CB 3.41Å; W34-T38 PolarHBondContact O-N 3.15Å; W34-T38 PolarHBondContact O-OG1 3.11Å; A35-T38 WeakPolarHBondContact O-CB 3.25Å; A35-T38 PolarHBondContact O-N 3.31Å; V36-T38 PolarHBondContact O-N 3.3Å; T38-V40 VanDerWaalsContact C-N 3.3Å; T38-V40 PolarHBondContact O-N 2.98Å; T38-C42 VanDerWaalsContact O-CB 3.26Å; T38-C42 WeakPolarHBondContact O-CB 3.34Å; T38-C42 PolarHBondContact O-N 2.71Å; T38-C42 PolarHBondContact O-SG 2.93Å; T38-C42 VanDerWaalsContact O-SG 3.33Å; T38-V49 HydrophobicContact CG2-CB 3.97Å; T38-V49 HydrophobicContact CG2-CG1 3.92Å; T38-V49 HydrophobicContact CG2-CG2 4.02Å
39A98.3Very high98.2Very high68 Ų6820.3 Ų20.356%0.56212%0.124SC*.Hα-helixtrans-60.1-44.1176.900000111A35 V36 S43A35-A39 PolarHBondContact O-N 2.64Å; V36-A39 PolarHBondContact O-N 3.33Å; V36-A39 VanDerWaalsContact O-N 3.14Å; A39-S43 PolarHBondContact O-N 3.09Å
40V98.1Very high98.2Very high10 Ų1019.8 Ų19.86%0.06112%0.122CC..Hα-helixtrans-66.3-58.2179.2-179.10000111.5V36 F37 T38 C42 S43 R44 E300 A303V36-V40 WeakPolarHBondContact O-CG2 3.29Å; V36-V40 PolarHBondContact O-N 3.35Å; V36-V40 VanDerWaalsContact O-N 3.09Å; F37-V40 PolarHBondContact O-N 2.81Å; T38-V40 VanDerWaalsContact C-N 3.3Å; T38-V40 PolarHBondContact O-N 2.98Å; V40-C42 VanDerWaalsContact C-N 3.25Å; V40-C42 PolarHBondContact O-N 2.88Å; V40-S43 WeakPolarHBondContact O-CA 3.41Å; V40-S43 WeakPolarHBondContact O-CB 3.28Å; V40-S43 PolarHBondContact O-N 3.14Å; V40-S43 PolarHBondContact O-OG 3.45Å; V40-R44 HydrophobicContact CG1-CG 4.27Å; V40-R44 WeakPolarHBondContact O-CG 3.33Å; V40-R44 PolarHBondContact O-N 3.05Å; V40-E300 WeakPolarHBondContact CG1-OE2 2.94Å; V40-E300 HydrophobicContact CG2-CG 4.36Å; V40-E300 VanDerWaalsContact CG2-OE1 3.26Å; V40-E300 WeakPolarHBondContact CG2-OE1 3.49Å; V40-A303 HydrophobicContact CB-CB 4.04Å; V40-A303 HydrophobicContact CG1-CB 3.46Å; V40-A303 VanDerWaalsContact CG1-CB 3.46Å
41I98.3Very high98.3Very high0 Ų019.9 Ų19.90%012%0.122CC..Hα-helixtrans-60.1-37-172.7-168.762.9000112L21 F37 S43 R44 I45 V49 A303 L306 A307L21-I41 HydrophobicContact CD1-CG1 3.77Å; L21-I41 HydrophobicContact CD1-CG2 4.15Å; F37-I41 HydrophobicContact CD1-CG2 4.3Å; F37-I41 HydrophobicContact CE1-CB 4.35Å; F37-I41 HydrophobicContact CE1-CG2 3.84Å; F37-I41 HydrophobicContact CE2-CB 4.13Å; F37-I41 HydrophobicContact CE2-CG1 4.49Å; F37-I41 HydrophobicContact CE2-CG2 4.49Å; F37-I41 HydrophobicContact CZ-CB 3.95Å; F37-I41 HydrophobicContact CZ-CG1 4.13Å; F37-I41 HydrophobicContact CZ-CG2 3.94Å; F37-I41 WeakPolarHBondContact O-CG2 3.32Å; F37-I41 PolarHBondContact O-N 3.39Å; I41-S43 PolarHBondContact O-N 3.33Å; I41-R44 WeakPolarHBondContact O-CB 3.39Å; I41-R44 PolarHBondContact O-N 3.14Å; I41-I45 HydrophobicContact CD1-CD1 3.78Å; I41-I45 HydrophobicContact CD1-CG1 3.84Å; I41-I45 HydrophobicContact CG1-CD1 3.92Å; I41-I45 HydrophobicContact CG1-CG1 3.96Å; I41-I45 WeakPolarHBondContact O-CG1 3.39Å; I41-I45 PolarHBondContact O-N 3.2Å; I41-I45 VanDerWaalsContact O-N 3.11Å; I41-V49 HydrophobicContact CG2-CG2 4.17Å; I41-A303 HydrophobicContact CB-CB 4.09Å; I41-A303 HydrophobicContact CD1-CB 4.03Å; I41-A303 WeakPolarHBondContact CD1-O 3.3Å; I41-L306 HydrophobicContact CD1-CB 4.45Å; I41-L306 HydrophobicContact CD1-CD2 4.34Å; I41-L306 HydrophobicContact CG1-CD2 4.45Å; I41-A307 HydrophobicContact CD1-CB 3.97Å
42C97.4Very high98.2Very high19 Ų1919.8 Ų19.813%0.12812%0.122CC..Hα-helixtrans-66.4-18.8175.3-74.80000113.3T38 V40 K319T38-C42 VanDerWaalsContact O-CB 3.26Å; T38-C42 WeakPolarHBondContact O-CB 3.34Å; T38-C42 PolarHBondContact O-N 2.71Å; T38-C42 PolarHBondContact O-SG 2.93Å; T38-C42 VanDerWaalsContact O-SG 3.33Å; V40-C42 VanDerWaalsContact C-N 3.25Å; V40-C42 PolarHBondContact O-N 2.88Å; C42-K319 VanDerWaalsContact O-CE 3.25Å; C42-K319 WeakPolarHBondContact O-CE 3.38Å; C42-K319 PolarHBondContact O-NZ 3.09Å
43S96.3Very high98.3Very high56 Ų5618.2 Ų18.239%0.39211%0.114SC..Hα-helixtrans-84.7-20.1170.978.60000113A39 V40 I41A39-S43 PolarHBondContact O-N 3.09Å; V40-S43 WeakPolarHBondContact O-CA 3.41Å; V40-S43 WeakPolarHBondContact O-CB 3.28Å; V40-S43 PolarHBondContact O-N 3.14Å; V40-S43 PolarHBondContact O-OG 3.45Å; I41-S43 PolarHBondContact O-N 3.33Å
44R96.6Very high98.3Very high44 Ų4418.3 Ų18.317%0.16611%0.114CC..Hα-helixtrans-88.8-44.6-175.8-57.2-69.4178.1-102.84.2112.4V40 I41 E300 D304 A307 F318 K319 F322V40-R44 HydrophobicContact CG1-CG 4.27Å; V40-R44 WeakPolarHBondContact O-CG 3.33Å; V40-R44 PolarHBondContact O-N 3.05Å; I41-R44 WeakPolarHBondContact O-CB 3.39Å; I41-R44 PolarHBondContact O-N 3.14Å; R44-E300 IonicContact CZ-OE2 2.67Å; R44-E300 IonicContact NE-OE2 3.2Å; R44-E300 IonicContact NH2-OE1 2.93Å; R44-E300 IonicContact NH2-OE2 3.87Å; R44-E300 PolarHBondContact NH2-OE2 3.12Å; R44-D304 IonicContact NE-OD1 2.91Å; R44-D304 PolarHBondContact NE-OD1 2.79Å; R44-A307 HydrophobicContact CB-CB 4.18Å; R44-F318 WeakPolarHBondContact O-CA 3.42Å; R44-K319 PolarHBondContact O-N 3.42Å; R44-F322 VanDerWaalsContact CD-CD2 3.45Å; R44-F322 HydrophobicContact CG-CE2 4.47Å; R44-F322 HydrophobicContact CG-CZ 4.48Å; R44-F322 VanDerWaalsContact NE-CE2 3.26Å
45I97.6Very high98.2Very high0 Ų018.9 Ų18.90%012%0.116CC..BIsolated β-bridgetrans-135.1162.2-171.453.8163.3000112I41 C47 A307 M310 V311 T316 E317 F318 K319I41-I45 HydrophobicContact CD1-CD1 3.78Å; I41-I45 HydrophobicContact CD1-CG1 3.84Å; I41-I45 HydrophobicContact CG1-CD1 3.92Å; I41-I45 HydrophobicContact CG1-CG1 3.96Å; I41-I45 WeakPolarHBondContact O-CG1 3.39Å; I41-I45 PolarHBondContact O-N 3.2Å; I41-I45 VanDerWaalsContact O-N 3.11Å; I45-C47 HydrophobicContact CD1-CB 4.08Å; I45-C47 HydrophobicContact CG1-CB 4.32Å; I45-C47 PolarHBondContact O-N 2.86Å; I45-A307 HydrophobicContact CG2-CB 3.7Å; I45-M310 HydrophobicContact CD1-SD 3.72Å; I45-V311 HydrophobicContact CG2-CG2 4.13Å; I45-T316 HydrophobicContact CB-CG2 3.86Å; I45-T316 HydrophobicContact CD1-CG2 3.78Å; I45-T316 HydrophobicContact CG1-CG2 4.41Å; I45-T316 HydrophobicContact CG2-CG2 3.96Å; I45-E317 WeakPolarHBondContact CA-O 3.34Å; I45-F318 HydrophobicContact CG2-CD1 3.85Å; I45-F318 HydrophobicContact CG2-CE1 4.3Å; I45-K319 WeakPolarHBondContact O-CE 3.42Å
46S96.8Very high98.1Very high36 Ų3618.6 Ų18.625%0.25211%0.114SC..SBendtrans-77.3106.6167.8-169.90000109.6S17 T316 E317S17-S46 PolarHBondContact OG-OG 3.01Å; S46-T316 PolarHBondContact O-OG1 3.04Å; S46-E317 PolarHBondContact N-O 3.34Å
47C98.2Very high98.1Very high5 Ų518.1 Ų18.13%0.03411%0.111CC..  trans-150.4162.4177.462.80000111.9S17 P19 L21 I45S17-C47 CarbonylContact O-C 3.48Å; S17-C47 WeakPolarHBondContact O-CA 3.39Å; S17-C47 PolarHBondContact O-N 2.88Å; P19-C47 WeakPolarHBondContact O-CA 3.48Å; L21-C47 HydrophobicContact CD1-CB 4.2Å; L21-C47 HydrophobicContact CG-CB 4.11Å; I45-C47 HydrophobicContact CD1-CB 4.08Å; I45-C47 HydrophobicContact CG1-CB 4.32Å; I45-C47 PolarHBondContact O-N 2.86Å
48R98.7Very high98Very high71 Ų7118.4 Ų18.427%0.26811%0.114SC..EExtended strand (participates in β ladder)trans-104.7145.6162.3-73.3169.2-70.1173.5-1.5108.2S14 S17 G18 P19 V20 L21S14-R48 CarbonylContact O-C 3.44Å; S14-R48 VanDerWaalsContact O-CA 3.29Å; S14-R48 WeakPolarHBondContact O-CA 3.46Å; S17-R48 PolarHBondContact O-N 2.79Å; G18-R48 VanDerWaalsContact O-CZ 3.31Å; G18-R48 PolarHBondContact O-NE 2.95Å; G18-R48 PolarHBondContact O-NH2 2.64Å; P19-R48 PolarHBondContact O-N 3.37Å; V20-R48 CarbonylContact C-O 2.97Å; V20-R48 WeakPolarHBondContact CA-O 3.42Å; V20-R48 HydrophobicContact CG2-CB 3.9Å; L21-R48 PolarHBondContact N-O 2.84Å
49V98.9Very high98Very high2 Ų220.4 Ų20.41%0.01212%0.124CC..EExtended strand (participates in β ladder)trans-115.7136.9174.7173.80000108.6C13 S14 L21 L23 T38 I41C13-V49 WeakPolarHBondContact CA-O 3.29Å; S14-V49 PolarHBondContact N-O 3.09Å; S14-V49 VanDerWaalsContact N-O 3.08Å; S14-V49 PolarHBondContact O-N 3.45Å; L21-V49 HydrophobicContact CB-CG2 4.27Å; L21-V49 HydrophobicContact CD1-CG2 4.25Å; L23-V49 HydrophobicContact CD1-CG1 3.48Å; L23-V49 VanDerWaalsContact CD1-CG1 3.48Å; L23-V49 HydrophobicContact CG-CG1 4.03Å; T38-V49 HydrophobicContact CG2-CB 3.97Å; T38-V49 HydrophobicContact CG2-CG1 3.92Å; T38-V49 HydrophobicContact CG2-CG2 4.02Å; I41-V49 HydrophobicContact CG2-CG2 4.17Å
50V98.9Very high97.9Very high6 Ų617.7 Ų17.74%0.03610%0.1CC..EExtended strand (participates in β ladder)trans-129.198168.2177.80000106.8L11 V20 L21 L22 L23 L84L11-V50 HydrophobicContact CB-CG1 4.41Å; L11-V50 HydrophobicContact CD1-CG1 4.12Å; L11-V50 HydrophobicContact CD2-CG1 4.08Å; L11-V50 HydrophobicContact CG-CG1 4.44Å; V20-V50 HydrophobicContact CG1-CB 4.13Å; V20-V50 HydrophobicContact CG1-CG2 3.71Å; L21-V50 PolarHBondContact O-N 3.18Å; L22-V50 WeakPolarHBondContact CA-O 3.04Å; L22-V50 HydrophobicContact CD1-CB 4.19Å; L22-V50 HydrophobicContact CD1-CG1 3.91Å; L23-V50 PolarHBondContact N-O 3.45Å; V50-L84 HydrophobicContact CG1-CD1 4.19Å
51A98.9Very high97.9Very high3 Ų323.9 Ų23.93%0.02513%0.127CC..EExtended strand (participates in β ladder)trans-90.9123.5173.700000109.4L11 Y12 L23 A31 W34L11-A51 CarbonylContact C-O 3.55Å; L11-A51 WeakPolarHBondContact CA-O 3.37Å; Y12-A51 PolarHBondContact N-O 3.14Å; Y12-A51 PolarHBondContact O-N 3.26Å; L23-A51 HydrophobicContact CB-CB 4.17Å; L23-A51 HydrophobicContact CD1-CB 4.26Å; A31-A51 HydrophobicContact CB-CB 3.83Å; W34-A51 HydrophobicContact CB-CB 4.26Å
52M98.7Very high97.8Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-108.4129-170.8175.8178.1171.700111.4F9 L11 L23 L24 H25 L54 V77 V80F9-M52 HydrophobicContact CB-CE 4.48Å; F9-M52 HydrophobicContact CD1-CE 3.37Å; F9-M52 HydrophobicContact CE1-CE 3.77Å; F9-M52 HydrophobicContact CG-CE 4.03Å; L11-M52 HydrophobicContact CD2-CB 3.69Å; L11-M52 HydrophobicContact CD2-CG 3.74Å; L23-M52 PolarHBondContact O-N 3.49Å; L23-M52 VanDerWaalsContact O-N 3.08Å; L24-M52 HydrophobicContact CD2-CB 4.29Å; L24-M52 HydrophobicContact CD2-SD 4.38Å; H25-M52 PolarHBondContact CD2-O 3.21Å; H25-M52 VanDerWaalsContact CD2-O 3.22Å; M52-L54 HydrophobicContact CE-CD2 4.16Å; M52-L54 PolarHBondContact O-N 3.33Å; M52-L54 HydrophobicContact SD-CD2 4.32Å; M52-V77 HydrophobicContact CE-CG2 4.49Å; M52-V77 HydrophobicContact SD-CG2 4.23Å; M52-V80 HydrophobicContact CE-CB 4.37Å; M52-V80 HydrophobicContact CE-CG2 3.68Å; M52-V80 HydrophobicContact SD-CB 4.24Å; M52-V80 HydrophobicContact SD-CG1 4.17Å; M52-V80 HydrophobicContact SD-CG2 4.11Å
53D98.9Very high97.6Very high1 Ų132.8 Ų32.81%0.00517%0.165CC..  trans-73.6112.2162.7-77-20.1000107.6R10 S30 A31 G58 D59 T60R10-D53 HydrophobicContact CB-CB 4.02Å; R10-D53 WeakPolarHBondContact CB-OD2 3.49Å; R10-D53 WeakPolarHBondContact CG-OD2 3.26Å; R10-D53 PolarHBondContact O-N 3.19Å; S30-D53 VanDerWaalsContact CB-OD1 3.29Å; S30-D53 WeakPolarHBondContact CB-OD1 3.45Å; A31-D53 VanDerWaalsContact CB-OD1 3.23Å; A31-D53 WeakPolarHBondContact CB-OD1 3.28Å; A31-D53 PolarHBondContact N-OD1 3.24Å; D53-G58 WeakPolarHBondContact OD2-CA 3.21Å; D53-D59 PolarHBondContact OD2-N 2.83Å; D53-T60 WeakPolarHBondContact CB-OG1 3.32Å; D53-T60 PolarHBondContact O-OG1 2.93Å
54L98.8Very high97.5Very high1 Ų134 Ų341%0.00517%0.167CC..  trans-66.1165.5176.8-68.5171.6000110.8L24 H25 M52 A56 H57 M73 V77 M99L24-L54 HydrophobicContact CB-CD1 4.44Å; L24-L54 HydrophobicContact CD2-CD2 4.18Å; H25-L54 PolarHBondContact NE2-N 2.88Å; M52-L54 HydrophobicContact CE-CD2 4.16Å; M52-L54 PolarHBondContact O-N 3.33Å; M52-L54 HydrophobicContact SD-CD2 4.32Å; L54-A56 PolarHBondContact O-N 3.28Å; L54-H57 WeakPolarHBondContact O-CB 3.05Å; L54-H57 PolarHBondContact O-N 3.4Å; L54-M73 HydrophobicContact CB-CE 3.89Å; L54-M73 HydrophobicContact CD1-CE 3.95Å; L54-M73 HydrophobicContact CG-CE 4.37Å; L54-V77 HydrophobicContact CD2-CG2 4.09Å; L54-M99 HydrophobicContact CD1-CE 3.6Å
55R98Very high97.3Very high13 Ų1334.6 Ų34.65%0.04918%0.177CC..THydrogen-bonded Turntrans-43.3134.6175.7170.9171.7-63-106.5-1.9112H57 V62 N64 D67 L68 D76R55-H57 PolarHBondContact O-N 3Å; R55-H57 VanDerWaalsContact O-N 3.07Å; R55-H57 PolarHBondContact O-ND1 2.8Å; R55-V62 HydrophobicContact CG-CG1 4.31Å; R55-V62 HydrophobicContact CG-CG2 3.79Å; R55-N64 PolarHBondContact NH1-O 3.04Å; R55-D67 WeakPolarHBondContact CD-O 3.32Å; R55-L68 HydrophobicContact CB-CD2 4.03Å; R55-L68 HydrophobicContact CG-CD2 3.75Å; R55-L68 WeakPolarHBondContact O-CD2 3.38Å; R55-D76 IonicContact CZ-OD2 3Å; R55-D76 IonicContact NE-OD2 2.95Å; R55-D76 PolarHBondContact NE-OD2 2.77Å; R55-D76 VanDerWaalsContact NH2-CG 3.34Å; R55-D76 IonicContact NH2-OD1 2.91Å; R55-D76 PolarHBondContact NH2-OD1 3.1Å; R55-D76 IonicContact NH2-OD2 2.77Å; R55-D76 PolarHBondContact NH2-OD2 3.45Å
56A96.9Very high97.2Very high26 Ų2640 Ų4022%0.21520%0.202CC..THydrogen-bonded Turntrans62.72.418000000115.8L54 P65 L68 V232L54-A56 PolarHBondContact O-N 3.28Å; A56-P65 HydrophobicContact CB-CB 4.09Å; A56-L68 HydrophobicContact CB-CD2 4.23Å; A56-V232 WeakPolarHBondContact O-CG2 3.4Å
57H98.4Very high97.2Very high0 Ų040 Ų400%020%0.199CC..SBendtrans-108.9161.4178-64.277.4000111.2H25 G28 H29 L54 R55 D59 T60H25-H57 WeakPolarHBondContact CE1-CB 3.47Å; H25-H57 AromaticContact CE1-CD2 3.48Å; H25-H57 PolarHBondContact CE1-CD2 3.49Å; H25-H57 VanDerWaalsContact CE1-CD2 3.48Å; H25-H57 AromaticContact CE1-CG 3.37Å; H25-H57 AromaticContact NE2-CG 4Å; G28-H57 PolarHBondContact N-CD2 3.16Å; G28-H57 PolarHBondContact N-NE2 3.37Å; H29-H57 PolarHBondContact O-CD2 3.35Å; H29-H57 VanDerWaalsContact O-CD2 3.26Å; L54-H57 WeakPolarHBondContact O-CB 3.05Å; L54-H57 PolarHBondContact O-N 3.4Å; R55-H57 PolarHBondContact O-N 3Å; R55-H57 VanDerWaalsContact O-N 3.07Å; R55-H57 PolarHBondContact O-ND1 2.8Å; H57-D59 PolarHBondContact O-N 3.03Å; H57-T60 WeakPolarHBondContact O-CB 3.49Å; H57-T60 PolarHBondContact O-N 3.14Å; H57-T60 VanDerWaalsContact O-N 3.15Å
58G97.3Very high97.2Very high7 Ų740 Ų407%0.07220%0.199CC..THydrogen-bonded Turntrans44.5-132.7-179.300000113D53 R231D53-G58 WeakPolarHBondContact OD2-CA 3.21Å; G58-R231 WeakPolarHBondContact O-CD 3.29Å; G58-R231 PolarHBondContact O-NH1 3.34Å
59D97.1Very high97.2Very high60 Ų6038 Ų3832%0.32120%0.196SC..THydrogen-bonded Turntrans-98.514.4-179.2-69.2-20.5000113.8R10 D53 H57 R231R10-D59 HydrophobicContact CB-CB 4.09Å; R10-D59 HydrophobicContact CG-CB 4.16Å; R10-D59 IonicContact CZ-OD2 2.99Å; R10-D59 IonicContact NH1-OD2 3.21Å; R10-D59 PolarHBondContact NH1-OD2 3.39Å; R10-D59 IonicContact NH2-OD2 2.67Å; D53-D59 PolarHBondContact OD2-N 2.83Å; H57-D59 PolarHBondContact O-N 3.03Å; D59-R231 IonicContact OD1-CZ 2.86Å; D59-R231 IonicContact OD1-NH1 2.63Å; D59-R231 PolarHBondContact OD1-NH1 3.29Å; D59-R231 IonicContact OD1-NH2 3.52Å
60T98.1Very high97.2Very high11 Ų1138.3 Ų38.37%0.06720%0.199CC..  trans-69.8129.2174-78.80000110.8I8 F9 R10 D53 H57 V62I8-T60 CarbonylContact O-C 3.59Å; I8-T60 WeakPolarHBondContact O-CA 3.48Å; F9-T60 WeakPolarHBondContact CA-OG1 3.45Å; F9-T60 HydrophobicContact CD1-CG2 3.43Å; F9-T60 VanDerWaalsContact CD1-CG2 3.43Å; F9-T60 HydrophobicContact CE1-CG2 3.68Å; F9-T60 HydrophobicContact CG-CG2 4.19Å; R10-T60 PolarHBondContact N-OG1 3.01Å; D53-T60 WeakPolarHBondContact CB-OG1 3.32Å; D53-T60 PolarHBondContact O-OG1 2.93Å; H57-T60 WeakPolarHBondContact O-CB 3.49Å; H57-T60 PolarHBondContact O-N 3.14Å; H57-T60 VanDerWaalsContact O-N 3.15Å; T60-V62 HydrophobicContact CG2-CG1 3.89Å
61K96.8Very high97.2Very high141 Ų14142.2 Ų42.261%0.61322%0.219SC*.BIsolated β-bridgetrans-118.8114.1-180-63.1-177.9-178.2-177.80109.5I8I8-K61 PolarHBondContact N-O 3.27Å; I8-K61 PolarHBondContact O-N 3.28Å
62V96.1Very high97.1Very high22 Ų2243.2 Ų43.213%0.13323%0.225CC..  trans-120.1157.8179.2-63.40000110.8N7 F9 R55 T60 P65N7-V62 HydrophobicContact CB-CG1 4.15Å; N7-V62 WeakPolarHBondContact OD1-CA 3.33Å; F9-V62 HydrophobicContact CE1-CG1 4.07Å; F9-V62 HydrophobicContact CE2-CG1 4.4Å; F9-V62 HydrophobicContact CZ-CG1 3.76Å; R55-V62 HydrophobicContact CG-CG1 4.31Å; R55-V62 HydrophobicContact CG-CG2 3.79Å; T60-V62 HydrophobicContact CG2-CG1 3.89Å; V62-P65 HydrophobicContact CG2-CB 3.94Å
63K93.4Very high97.1Very high184 Ų18443.2 Ų43.280%0.823%0.225SC*.SBendtrans-65.5-38.8176.5-176.1179178-178.20113N7 P65N7-K63 PolarHBondContact OD1-N 3.34Å; K63-P65 WeakPolarHBondContact O-CD 3.38Å
64N93.7Very high97.1Very high81 Ų8143.3 Ų43.343%0.43323%0.226SC..  trans-120.976.9-178-175.618.5000111R55 E66 D67R55-N64 PolarHBondContact NH1-O 3.04Å; N64-E66 PolarHBondContact O-N 3.32Å; N64-D67 VanDerWaalsContact ND2-CB 3.3Å; N64-D67 WeakPolarHBondContact ND2-CB 3.19Å
65P94.3Very high97.1Very high57 Ų5747.7 Ų47.737%0.3725%0.245SC..THydrogen-bonded Turntrans-67.1-15.6-176.228.7-35.4000113.8A56 V62 K63A56-P65 HydrophobicContact CB-CB 4.09Å; V62-P65 HydrophobicContact CG2-CB 3.94Å; K63-P65 WeakPolarHBondContact O-CD 3.38Å
66E94.4Very high97.2Very high112 Ų11247.3 Ų47.352%0.52324%0.244SC..THydrogen-bonded Turntrans-81.2-20.5-176.2-63.2-59.3131.300114.1N64 L68 Y240N64-E66 PolarHBondContact O-N 3.32Å; E66-L68 PolarHBondContact O-N 3Å; E66-Y240 WeakPolarHBondContact O-CE2 3.2Å; E66-Y240 PolarHBondContact O-OH 2.99Å; E66-Y240 VanDerWaalsContact O-OH 3.11Å
67D97.1Very high97.3Very high36 Ų3646.1 Ų46.119%0.19323%0.234CC..  trans-87.995.6176.9176.719.1000110.6R55 N64 S69 T72R55-D67 WeakPolarHBondContact CD-O 3.32Å; N64-D67 VanDerWaalsContact ND2-CB 3.3Å; N64-D67 WeakPolarHBondContact ND2-CB 3.19Å; D67-S69 WeakPolarHBondContact OD1-CB 3.31Å; D67-S69 PolarHBondContact OD1-N 3.07Å; D67-S69 VanDerWaalsContact OD1-N 3.13Å; D67-S69 PolarHBondContact OD1-OG 2.83Å; D67-T72 WeakPolarHBondContact OD2-CB 3.49Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.43Å; D67-T72 PolarHBondContact OD2-OG1 2.97Å
68L97.9Very high97.3Very high6 Ų646.5 Ų46.53%0.03124%0.238CC..  trans-109.331.8176.3-67.9163.5000111.1R55 A56 E66 M73 T237 Y240 W244R55-L68 HydrophobicContact CB-CD2 4.03Å; R55-L68 HydrophobicContact CG-CD2 3.75Å; R55-L68 WeakPolarHBondContact O-CD2 3.38Å; A56-L68 HydrophobicContact CB-CD2 4.23Å; E66-L68 PolarHBondContact O-N 3Å; L68-M73 HydrophobicContact CB-SD 4.02Å; L68-M73 HydrophobicContact CD2-CE 4.11Å; L68-M73 HydrophobicContact CD2-CG 4.37Å; L68-M73 HydrophobicContact CD2-SD 3.79Å; L68-T237 HydrophobicContact CD1-CG2 3.37Å; L68-Y240 HydrophobicContact CB-CD2 3.84Å; L68-Y240 HydrophobicContact CB-CE2 4.16Å; L68-Y240 HydrophobicContact CB-CG 4.49Å; L68-W244 HydrophobicContact CB-CZ2 4.15Å; L68-W244 WeakPolarHBondContact O-CZ2 3.09Å; L68-W244 PolarHBondContact O-NE1 2.99Å
69S98.6Very high97.3Very high30 Ų3052 Ų5221%0.2126%0.26CS..  trans-63.5150.7172.661.80000111.7D67 D71 T72 M73D67-S69 WeakPolarHBondContact OD1-CB 3.31Å; D67-S69 PolarHBondContact OD1-N 3.07Å; D67-S69 VanDerWaalsContact OD1-N 3.13Å; D67-S69 PolarHBondContact OD1-OG 2.83Å; S69-D71 VanDerWaalsContact C-N 3.26Å; S69-D71 PolarHBondContact O-N 3.29Å; S69-T72 PolarHBondContact O-N 2.82Å; S69-T72 WeakPolarHBondContact OG-CB 3.42Å; S69-T72 PolarHBondContact OG-N 3.03Å; S69-T72 PolarHBondContact OG-OG1 3.46Å; S69-M73 WeakPolarHBondContact O-CG 3.41Å; S69-M73 PolarHBondContact O-N 2.92Å
70A98.6Very high97.4Very high8 Ų849.5 Ų49.57%0.06625%0.247CC..Hα-helixtrans-54.6-43.9178.900000112.2M73 A74 I103 G243A70-M73 PolarHBondContact O-N 3.35Å; A70-A74 WeakPolarHBondContact O-CB 3.46Å; A70-A74 PolarHBondContact O-N 2.94Å; A70-I103 HydrophobicContact CB-CD1 4.25Å; A70-G243 WeakPolarHBondContact CB-O 3.23Å
71D98.5Very high97.4Very high87 Ų8749.2 Ų49.247%0.46525%0.245SC..Hα-helixtrans-61.5-49.7179.2175.671.8000112.2S69 M73 A74 K75S69-D71 VanDerWaalsContact C-N 3.26Å; S69-D71 PolarHBondContact O-N 3.29Å; D71-M73 PolarHBondContact O-N 2.87Å; D71-A74 PolarHBondContact O-N 3.49Å; D71-K75 WeakPolarHBondContact O-CB 3.34Å; D71-K75 VanDerWaalsContact O-CG 3.3Å; D71-K75 WeakPolarHBondContact O-CG 3.47Å; D71-K75 PolarHBondContact O-N 2.92Å; D71-K75 WeakPolarHBondContact OD1-CE 3.31Å; D71-K75 IonicContact OD1-NZ 3.52Å; D71-K75 PolarHBondContact OD1-NZ 2.75Å; D71-K75 WeakPolarHBondContact OD2-CE 3.27Å; D71-K75 IonicContact OD2-NZ 3.6Å; D71-K75 PolarHBondContact OD2-NZ 2.89Å
72T98.7Very high97.5Very high24 Ų2448.7 Ų48.715%0.14725%0.245CC..Hα-helixtrans-61.8-46.1178.6-70.40000111.5D67 S69 K75 D76D67-T72 WeakPolarHBondContact OD2-CB 3.49Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.43Å; D67-T72 PolarHBondContact OD2-OG1 2.97Å; S69-T72 PolarHBondContact O-N 2.82Å; S69-T72 WeakPolarHBondContact OG-CB 3.42Å; S69-T72 PolarHBondContact OG-N 3.03Å; S69-T72 PolarHBondContact OG-OG1 3.46Å; T72-K75 PolarHBondContact O-N 2.87Å; T72-D76 VanDerWaalsContact O-CG 3.29Å; T72-D76 PolarHBondContact O-N 3.11Å
73M98.8Very high97.6Very high1 Ų151.9 Ų51.91%0.00527%0.274CS..Hα-helixtrans-66.8-38.6179.9-65.2-17874.100112L54 L68 S69 A70 D71 D76 V77 M99 I103L54-M73 HydrophobicContact CB-CE 3.89Å; L54-M73 HydrophobicContact CD1-CE 3.95Å; L54-M73 HydrophobicContact CG-CE 4.37Å; L68-M73 HydrophobicContact CB-SD 4.02Å; L68-M73 HydrophobicContact CD2-CE 4.11Å; L68-M73 HydrophobicContact CD2-CG 4.37Å; L68-M73 HydrophobicContact CD2-SD 3.79Å; S69-M73 WeakPolarHBondContact O-CG 3.41Å; S69-M73 PolarHBondContact O-N 2.92Å; A70-M73 PolarHBondContact O-N 3.35Å; D71-M73 PolarHBondContact O-N 2.87Å; M73-D76 WeakPolarHBondContact O-CB 3.08Å; M73-D76 PolarHBondContact O-N 3.45Å; M73-V77 WeakPolarHBondContact O-CG2 3.34Å; M73-V77 PolarHBondContact O-N 2.98Å; M73-V77 VanDerWaalsContact O-N 3.14Å; M73-M99 HydrophobicContact CE-CE 3.76Å; M73-M99 HydrophobicContact CE-SD 3.93Å; M73-M99 HydrophobicContact SD-SD 4.48Å; M73-I103 HydrophobicContact CB-CD1 3.79Å; M73-I103 HydrophobicContact CB-CG1 4Å; M73-I103 HydrophobicContact CB-CG2 4.07Å; M73-I103 HydrophobicContact CE-CG1 4.22Å; M73-I103 HydrophobicContact SD-CD1 4.17Å; M73-I103 HydrophobicContact SD-CG1 4.33Å
74A98.9Very high97.8Very high3 Ų346.6 Ų46.63%0.02525%0.253CS..Hα-helixtrans-65.1-40.8175.700000112A70 D71 D76 V77 G78 I103 H106 T107 L112A70-A74 WeakPolarHBondContact O-CB 3.46Å; A70-A74 PolarHBondContact O-N 2.94Å; D71-A74 PolarHBondContact O-N 3.49Å; A74-D76 VanDerWaalsContact C-N 3.33Å; A74-V77 WeakPolarHBondContact O-CB 3.49Å; A74-V77 PolarHBondContact O-N 2.89Å; A74-G78 PolarHBondContact O-N 3.11Å; A74-G78 VanDerWaalsContact O-N 3.12Å; A74-I103 HydrophobicContact CB-CG2 4.43Å; A74-H106 HydrophobicContact CB-CB 4Å; A74-T107 VanDerWaalsContact CA-OG1 3.29Å; A74-T107 WeakPolarHBondContact CA-OG1 3.49Å; A74-T107 WeakPolarHBondContact CB-OG1 3.38Å; A74-T107 PolarHBondContact O-OG1 3.39Å; A74-L112 HydrophobicContact CB-CD1 4.07Å; A74-L112 VanDerWaalsContact O-CD1 3.29Å; A74-L112 WeakPolarHBondContact O-CD1 3.34Å
75K98.8Very high98Very high93 Ų9345.7 Ų45.740%0.40425%0.245SC..Hα-helixtrans-63.4-37.2173.1-76.2170178.4164.20112.4D71 T72 V77 G78 K79 L112D71-K75 WeakPolarHBondContact O-CB 3.34Å; D71-K75 VanDerWaalsContact O-CG 3.3Å; D71-K75 WeakPolarHBondContact O-CG 3.47Å; D71-K75 PolarHBondContact O-N 2.92Å; D71-K75 WeakPolarHBondContact OD1-CE 3.31Å; D71-K75 IonicContact OD1-NZ 3.52Å; D71-K75 PolarHBondContact OD1-NZ 2.75Å; D71-K75 WeakPolarHBondContact OD2-CE 3.27Å; D71-K75 IonicContact OD2-NZ 3.6Å; D71-K75 PolarHBondContact OD2-NZ 2.89Å; T72-K75 PolarHBondContact O-N 2.87Å; K75-V77 VanDerWaalsContact C-N 3.33Å; K75-G78 PolarHBondContact O-N 2.82Å; K75-K79 WeakPolarHBondContact O-CB 3.26Å; K75-K79 VanDerWaalsContact O-CG 3.32Å; K75-K79 WeakPolarHBondContact O-CG 3.28Å; K75-K79 PolarHBondContact O-N 2.82Å; K75-L112 HydrophobicContact CG-CD1 4.34Å
76D98.8Very high98.1Very high5 Ų545 Ų453%0.02725%0.247CC..Hα-helixtrans-61.7-42.1174.2-72.4-27000111.1F9 R55 T72 M73 A74 K79 V80F9-D76 HydrophobicContact CE1-CB 3.89Å; F9-D76 HydrophobicContact CE2-CB 4.4Å; F9-D76 HydrophobicContact CZ-CB 3.58Å; R55-D76 IonicContact CZ-OD2 3Å; R55-D76 IonicContact NE-OD2 2.95Å; R55-D76 PolarHBondContact NE-OD2 2.77Å; R55-D76 VanDerWaalsContact NH2-CG 3.34Å; R55-D76 IonicContact NH2-OD1 2.91Å; R55-D76 PolarHBondContact NH2-OD1 3.1Å; R55-D76 IonicContact NH2-OD2 2.77Å; R55-D76 PolarHBondContact NH2-OD2 3.45Å; T72-D76 VanDerWaalsContact O-CG 3.29Å; T72-D76 PolarHBondContact O-N 3.11Å; M73-D76 WeakPolarHBondContact O-CB 3.08Å; M73-D76 PolarHBondContact O-N 3.45Å; A74-D76 VanDerWaalsContact C-N 3.33Å; D76-K79 PolarHBondContact O-N 3.06Å; D76-V80 WeakPolarHBondContact O-CG2 3.23Å; D76-V80 PolarHBondContact O-N 3.4Å
77V98.8Very high98.1Very high0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-60.1-48.4175.2177.20000111.2L22 L24 M52 L54 M73 A74 K75 K79 V80 V81 M94 I103 T107L22-V77 HydrophobicContact CD2-CG1 3.75Å; L24-V77 HydrophobicContact CD1-CG2 4Å; L24-V77 HydrophobicContact CD2-CG2 4.12Å; M52-V77 HydrophobicContact CE-CG2 4.49Å; M52-V77 HydrophobicContact SD-CG2 4.23Å; L54-V77 HydrophobicContact CD2-CG2 4.09Å; M73-V77 WeakPolarHBondContact O-CG2 3.34Å; M73-V77 PolarHBondContact O-N 2.98Å; M73-V77 VanDerWaalsContact O-N 3.14Å; A74-V77 WeakPolarHBondContact O-CB 3.49Å; A74-V77 PolarHBondContact O-N 2.89Å; K75-V77 VanDerWaalsContact C-N 3.33Å; V77-K79 PolarHBondContact O-N 2.81Å; V77-V80 PolarHBondContact O-N 3Å; V77-V81 PolarHBondContact O-N 3.3Å; V77-V81 VanDerWaalsContact O-N 3.07Å; V77-M94 HydrophobicContact CG1-SD 4.4Å; V77-I103 HydrophobicContact CG2-CG2 4.03Å; V77-T107 HydrophobicContact CB-CG2 4.15Å; V77-T107 HydrophobicContact CG1-CG2 3.82Å
78G98.6Very high98Very high9 Ų952.3 Ų52.39%0.09329%0.292CS..Hα-helixtrans-58.5-45.4176.900000112.8A74 K75 V80 V81 E82A74-G78 PolarHBondContact O-N 3.11Å; A74-G78 VanDerWaalsContact O-N 3.12Å; K75-G78 PolarHBondContact O-N 2.82Å; G78-V80 VanDerWaalsContact C-N 3.31Å; G78-V80 PolarHBondContact O-N 3.07Å; G78-V81 PolarHBondContact O-N 2.7Å; G78-E82 PolarHBondContact O-N 2.86Å
79K98.4Very high98Very high121 Ų12153.2 Ų53.253%0.52630%0.298SS..Hα-helixtrans-63.7-34.3176.9-74.6176-179.1176.90113.2K75 D76 V77 A83K75-K79 WeakPolarHBondContact O-CB 3.26Å; K75-K79 VanDerWaalsContact O-CG 3.32Å; K75-K79 WeakPolarHBondContact O-CG 3.28Å; K75-K79 PolarHBondContact O-N 2.82Å; D76-K79 PolarHBondContact O-N 3.06Å; V77-K79 PolarHBondContact O-N 2.81Å; K79-A83 VanDerWaalsContact O-CB 3.23Å; K79-A83 WeakPolarHBondContact O-CB 3.41Å; K79-A83 PolarHBondContact O-N 2.74Å
80V98.6Very high98Very high9 Ų952.6 Ų52.66%0.05529%0.294CS..Hα-helixtrans-66.8-43.1174.5163.90000110.6F9 L11 M52 D76 V77 G78 A83 L84F9-V80 HydrophobicContact CB-CG2 3.8Å; F9-V80 HydrophobicContact CD1-CG2 4.34Å; F9-V80 HydrophobicContact CD2-CG2 3.77Å; F9-V80 HydrophobicContact CE2-CG2 4.48Å; F9-V80 HydrophobicContact CG-CG2 3.7Å; L11-V80 HydrophobicContact CD1-CG1 4.11Å; L11-V80 HydrophobicContact CD2-CG1 3.95Å; M52-V80 HydrophobicContact CE-CB 4.37Å; M52-V80 HydrophobicContact CE-CG2 3.68Å; M52-V80 HydrophobicContact SD-CB 4.24Å; M52-V80 HydrophobicContact SD-CG1 4.17Å; M52-V80 HydrophobicContact SD-CG2 4.11Å; D76-V80 WeakPolarHBondContact O-CG2 3.23Å; D76-V80 PolarHBondContact O-N 3.4Å; V77-V80 PolarHBondContact O-N 3Å; G78-V80 VanDerWaalsContact C-N 3.31Å; G78-V80 PolarHBondContact O-N 3.07Å; V80-A83 PolarHBondContact O-N 2.86Å; V80-L84 HydrophobicContact CG1-CD1 4.03Å; V80-L84 HydrophobicContact CG1-CG 4.5Å; V80-L84 WeakPolarHBondContact O-CB 3.29Å; V80-L84 VanDerWaalsContact O-CG 3.29Å; V80-L84 WeakPolarHBondContact O-CG 3.49Å; V80-L84 PolarHBondContact O-N 2.91Å
81V98.6Very high98Very high5 Ų555.7 Ų55.73%0.0331%0.313CS..Hα-helixtrans-62.2-46.1175.71730000111L22 V77 G78 A83 L84 Y85 P89 I92 V113L22-V81 HydrophobicContact CD2-CG2 3.76Å; V77-V81 PolarHBondContact O-N 3.3Å; V77-V81 VanDerWaalsContact O-N 3.07Å; G78-V81 PolarHBondContact O-N 2.7Å; V81-A83 PolarHBondContact O-N 2.88Å; V81-L84 PolarHBondContact O-N 3.25Å; V81-Y85 HydrophobicContact CG1-CD2 4.12Å; V81-Y85 WeakPolarHBondContact O-CD2 3.44Å; V81-Y85 PolarHBondContact O-N 3.08Å; V81-P89 HydrophobicContact CG1-CB 4.04Å; V81-I92 HydrophobicContact CG1-CD1 3.72Å; V81-I92 HydrophobicContact CG2-CD1 4.27Å; V81-V113 HydrophobicContact CG1-CG1 4.33Å; V81-V113 HydrophobicContact CG2-CG2 4Å
82E98.2Very high98Very high130 Ų13051.6 Ų51.661%0.60729%0.291SS*.Hα-helixtrans-58.8-44.8175.2-177.8-178.5-154.300111.6G78 L84 G86G78-E82 PolarHBondContact O-N 2.86Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.03Å; E82-G86 VanDerWaalsContact O-CA 3.22Å; E82-G86 WeakPolarHBondContact O-CA 3.43Å; E82-G86 PolarHBondContact O-N 2.79Å
83A98Very high98Very high89 Ų8950.4 Ų50.474%0.73628%0.284SS*.Hα-helixtrans-66.4-31.5178.800000113.3K79 V80 V81K79-A83 VanDerWaalsContact O-CB 3.23Å; K79-A83 WeakPolarHBondContact O-CB 3.41Å; K79-A83 PolarHBondContact O-N 2.74Å; V80-A83 PolarHBondContact O-N 2.86Å; V81-A83 PolarHBondContact O-N 2.88Å
84L97.6Very high98Very high72 Ų7250.4 Ų50.438%0.37728%0.284SS..Hα-helixtrans-78.3-36.9179.5-75.9173000113.3L11 V50 V80 V81 E82L11-L84 HydrophobicContact CD1-CD1 3.71Å; L11-L84 HydrophobicContact CD1-CD2 3.78Å; L11-L84 HydrophobicContact CD1-CG 4.07Å; V50-L84 HydrophobicContact CG1-CD1 4.19Å; V80-L84 HydrophobicContact CG1-CD1 4.03Å; V80-L84 HydrophobicContact CG1-CG 4.5Å; V80-L84 WeakPolarHBondContact O-CB 3.29Å; V80-L84 VanDerWaalsContact O-CG 3.29Å; V80-L84 WeakPolarHBondContact O-CG 3.49Å; V80-L84 PolarHBondContact O-N 2.91Å; V81-L84 PolarHBondContact O-N 3.25Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.03Å
85Y97.8Very high98Very high63 Ų6350.3 Ų50.325%0.24728%0.283CS..Hα-helixtrans-131.5-5-165.1-49.7-63.8000115V81 E87 S88 P89 P90 I92V81-Y85 HydrophobicContact CG1-CD2 4.12Å; V81-Y85 WeakPolarHBondContact O-CD2 3.44Å; V81-Y85 PolarHBondContact O-N 3.08Å; Y85-E87 PolarHBondContact O-N 3.16Å; Y85-S88 PolarHBondContact O-N 2.68Å; Y85-P89 HydrophobicContact CD2-CB 4.32Å; Y85-P90 HydrophobicContact CD1-CG 4.19Å; Y85-P90 HydrophobicContact CD2-CG 4.34Å; Y85-P90 HydrophobicContact CE1-CG 4.02Å; Y85-P90 HydrophobicContact CE2-CG 4.16Å; Y85-P90 VanDerWaalsContact CG-CD 3.42Å; Y85-P90 HydrophobicContact CG-CG 4.35Å; Y85-I92 HydrophobicContact CD2-CD1 4.49Å; Y85-I92 HydrophobicContact CE2-CD1 4.34Å
86G96.5Very high98Very high41 Ų4145.9 Ų45.942%0.42326%0.263SS..THydrogen-bonded Turntrans56.7-134.4-177.100000112.1E82 S88E82-G86 VanDerWaalsContact O-CA 3.22Å; E82-G86 WeakPolarHBondContact O-CA 3.43Å; E82-G86 PolarHBondContact O-N 2.79Å; G86-S88 VanDerWaalsContact C-N 3.28Å; G86-S88 PolarHBondContact O-N 3.44Å
87E93.7Very high98Very high197 Ų19745.6 Ų45.692%0.92126%0.262SS*.THydrogen-bonded Turntrans-78.5-8.7-176.2-59.3-176.7168.100113.9Y85 P89Y85-E87 PolarHBondContact O-N 3.16Å; E87-P89 WeakPolarHBondContact O-CD 3.36Å
88S96.1Very high97.9Very high105 Ų10546.6 Ų46.673%0.73427%0.269SS*.  trans-123.460.5-175.7-65.40000112.3Y85 G86Y85-S88 PolarHBondContact O-N 2.68Å; G86-S88 VanDerWaalsContact C-N 3.28Å; G86-S88 PolarHBondContact O-N 3.44Å
89P97.6Very high97.8Very high25 Ų2546.2 Ų46.216%0.16227%0.265CS..PPolyproline II helixtrans-64.4139.6178.329.7-35.3000111.3V81 Y85 E87 I92 S115V81-P89 HydrophobicContact CG1-CB 4.04Å; Y85-P89 HydrophobicContact CD2-CB 4.32Å; E87-P89 WeakPolarHBondContact O-CD 3.36Å; P89-I92 HydrophobicContact CB-CD1 4.26Å; P89-S115 WeakPolarHBondContact CB-OG 2.99Å; P89-S115 WeakPolarHBondContact CG-OG 3.45Å; P89-S115 WeakPolarHBondContact O-CB 3.49Å
90P98.3Very high97.9Very high18 Ų1840.4 Ų40.412%0.11724%0.24CC..PPolyproline II helixtrans-65.4168.3175.430.4-35.3000110.4V20 Y85 I92 S115V20-P90 HydrophobicContact CB-CG 4.36Å; V20-P90 HydrophobicContact CG2-CB 4.3Å; V20-P90 HydrophobicContact CG2-CG 3.55Å; Y85-P90 HydrophobicContact CD1-CG 4.19Å; Y85-P90 HydrophobicContact CD2-CG 4.34Å; Y85-P90 HydrophobicContact CE1-CG 4.02Å; Y85-P90 HydrophobicContact CE2-CG 4.16Å; Y85-P90 VanDerWaalsContact CG-CD 3.42Å; Y85-P90 HydrophobicContact CG-CG 4.35Å; P90-I92 HydrophobicContact CG-CG1 4.47Å; P90-I92 WeakPolarHBondContact O-CG1 3.41Å; P90-I92 PolarHBondContact O-N 3.39Å; P90-I92 VanDerWaalsContact O-N 3.16Å; P90-S115 WeakPolarHBondContact O-CB 3.38Å; P90-S115 PolarHBondContact O-OG 2.84Å
91P98.7Very high97.9Very high72 Ų7240 Ų4047%0.46824%0.237SC..PPolyproline II helixtrans-55.1120.7169.9-2132.1000110.2P19 V20 L117P19-P91 CarbonylContact C-O 3.53Å; P19-P91 VanDerWaalsContact CA-O 3.32Å; P19-P91 WeakPolarHBondContact CA-O 3.39Å; P19-P91 HydrophobicContact CB-CB 4.41Å; V20-P91 PolarHBondContact N-O 3.03Å; P91-L117 HydrophobicContact CB-CD2 3.13Å
92I98.9Very high97.9Very high1 Ų139.8 Ų39.81%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-118.4127.9-174-73.7158.4000111.4V20 L22 V81 Y85 P89 P90 M94 V113 S115 L116 L117V20-I92 HydrophobicContact CB-CG1 3.92Å; V20-I92 HydrophobicContact CG1-CG1 4.27Å; V20-I92 CarbonylContact O-C 3.56Å; V20-I92 WeakPolarHBondContact O-CA 3.38Å; L22-I92 HydrophobicContact CB-CG2 3.99Å; L22-I92 HydrophobicContact CD2-CG2 4.47Å; V81-I92 HydrophobicContact CG1-CD1 3.72Å; V81-I92 HydrophobicContact CG2-CD1 4.27Å; Y85-I92 HydrophobicContact CD2-CD1 4.49Å; Y85-I92 HydrophobicContact CE2-CD1 4.34Å; P89-I92 HydrophobicContact CB-CD1 4.26Å; P90-I92 HydrophobicContact CG-CG1 4.47Å; P90-I92 WeakPolarHBondContact O-CG1 3.41Å; P90-I92 PolarHBondContact O-N 3.39Å; P90-I92 VanDerWaalsContact O-N 3.16Å; I92-M94 HydrophobicContact CG2-CG 4.16Å; I92-V113 HydrophobicContact CB-CG1 4.06Å; I92-V113 HydrophobicContact CD1-CG1 3.77Å; I92-V113 HydrophobicContact CG2-CG1 4.04Å; I92-S115 PolarHBondContact N-O 2.94Å; I92-L116 HydrophobicContact CG2-CD1 4.46Å; I92-L116 WeakPolarHBondContact O-CA 3.48Å; I92-L116 WeakPolarHBondContact O-CD1 3.38Å; I92-L117 WeakPolarHBondContact O-CG 3.26Å; I92-L117 PolarHBondContact O-N 3.16Å
93M98.8Very high97.9Very high0 Ų033.6 Ų33.60%021%0.207CC..EExtended strand (participates in β ladder)trans-102.3125.3163.9-173.7167.1-176.500109.4V20 L21 L22 I95 L117 C120 L306 F309 M310V20-M93 PolarHBondContact O-N 2.91Å; L21-M93 WeakPolarHBondContact CA-O 3.3Å; L21-M93 HydrophobicContact CD2-CB 3.96Å; L22-M93 PolarHBondContact N-O 3.37Å; M93-I95 HydrophobicContact CB-CD1 4.34Å; M93-I95 HydrophobicContact CG-CD1 3.97Å; M93-I95 HydrophobicContact CG-CG1 4.38Å; M93-I95 WeakPolarHBondContact O-CD1 3.34Å; M93-L117 HydrophobicContact CB-CD1 3.97Å; M93-C120 HydrophobicContact CE-CB 3.87Å; M93-L306 HydrophobicContact CE-CD1 3.28Å; M93-L306 HydrophobicContact SD-CD1 3.74Å; M93-F309 HydrophobicContact CE-CD1 3.62Å; M93-F309 HydrophobicContact CE-CE1 3.48Å; M93-F309 VanDerWaalsContact CE-CE1 3.48Å; M93-F309 HydrophobicContact SD-CD1 4.38Å; M93-F309 HydrophobicContact SD-CE1 4.35Å; M93-M310 HydrophobicContact CB-CE 4.3Å; M93-M310 HydrophobicContact SD-CE 3.94Å; M93-M310 HydrophobicContact SD-CG 3.49Å; M93-M310 WeakPolarHBondContact SD-CG 3.21Å; M93-M310 HydrophobicContact SD-SD 3.64Å; M93-M310 VanDerWaalsContact SD-SD 3.64Å
94M98.9Very high97.9Very high0 Ų029.3 Ų29.30%017%0.172CC..EExtended strand (participates in β ladder)trans-92.1134.3174.1-71.7-169.7-50.500110.6L22 V77 I92 A104 T107 A108 V113 L116 G118 L119 C120L22-M94 HydrophobicContact CB-CG 4.26Å; L22-M94 HydrophobicContact CD2-CG 4.14Å; L22-M94 HydrophobicContact CD2-SD 4.36Å; L22-M94 HydrophobicContact CG-CG 4.49Å; L22-M94 WeakPolarHBondContact O-CA 3.26Å; V77-M94 HydrophobicContact CG1-SD 4.4Å; I92-M94 HydrophobicContact CG2-CG 4.16Å; M94-A104 HydrophobicContact CB-CB 4.37Å; M94-A104 WeakPolarHBondContact CE-O 3.33Å; M94-T107 HydrophobicContact CE-CG2 3.99Å; M94-T107 HydrophobicContact SD-CG2 3.71Å; M94-A108 HydrophobicContact CE-CB 3.71Å; M94-V113 HydrophobicContact SD-CG2 4.11Å; M94-L116 HydrophobicContact CB-CD1 4.01Å; M94-L116 HydrophobicContact CE-CD1 3.66Å; M94-L116 HydrophobicContact CE-CD2 3.75Å; M94-L116 HydrophobicContact CE-CG 4.37Å; M94-L116 HydrophobicContact CG-CD1 3.6Å; M94-L116 HydrophobicContact SD-CD1 4.16Å; M94-G118 PolarHBondContact N-O 3.25Å; M94-L119 HydrophobicContact CB-CD1 4.11Å; M94-L119 HydrophobicContact CE-CD1 4.31Å; M94-L119 CarbonylContact O-C 3.6Å; M94-L119 WeakPolarHBondContact O-CA 3.34Å; M94-C120 PolarHBondContact O-N 3.09Å
95I98.9Very high98Very high1 Ų126 Ų261%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-129.1121176.4-56.397.8000108.2L21 L22 L23 L24 W34 M93 C120 I122 L306L21-I95 HydrophobicContact CB-CD1 3.86Å; L21-I95 HydrophobicContact CD2-CD1 4.16Å; L21-I95 HydrophobicContact CG-CD1 4.46Å; L22-I95 PolarHBondContact O-N 2.66Å; L23-I95 CarbonylContact C-O 3.58Å; L23-I95 WeakPolarHBondContact CA-O 3.29Å; L23-I95 HydrophobicContact CD2-CB 3.82Å; L23-I95 HydrophobicContact CD2-CD1 3.59Å; L23-I95 HydrophobicContact CD2-CG1 4.21Å; L24-I95 PolarHBondContact N-O 2.86Å; W34-I95 HydrophobicContact CH2-CG2 3.68Å; W34-I95 HydrophobicContact CZ3-CG2 4.06Å; M93-I95 HydrophobicContact CB-CD1 4.34Å; M93-I95 HydrophobicContact CG-CD1 3.97Å; M93-I95 HydrophobicContact CG-CG1 4.38Å; M93-I95 WeakPolarHBondContact O-CD1 3.34Å; I95-C120 WeakPolarHBondContact CA-O 3.35Å; I95-C120 HydrophobicContact CB-CB 4.19Å; I95-C120 HydrophobicContact CG1-CB 3.75Å; I95-C120 HydrophobicContact CG2-CB 3.98Å; I95-I122 HydrophobicContact CG2-CD1 4.02Å; I95-I122 HydrophobicContact CG2-CG1 4.32Å; I95-L306 HydrophobicContact CD1-CD2 4.16Å; I95-L306 HydrophobicContact CG1-CD1 4.17Å; I95-L306 HydrophobicContact CG1-CD2 4.15Å
96G98.8Very high98Very high0 Ų024.8 Ų24.80%015%0.151CC..EExtended strand (participates in β ladder)trans-128.9137.5-17700000112.9L24 G101 C120 I122L24-G96 WeakPolarHBondContact O-CA 3.43Å; G96-G101 VanDerWaalsContact C-N 3.28Å; G96-G101 WeakPolarHBondContact O-CA 3.24Å; G96-C120 PolarHBondContact N-O 3.4Å; G96-I122 PolarHBondContact O-N 3.08Å
97H98.4Very high98.2Very high0 Ų022.9 Ų22.90%013%0.131CC..EExtended strand (participates in β ladder)trans-104133.2173.4167.1-112.2000111.3L24 G26 W34 M99 G100 G101 I122 H292 H295L24-H97 PolarHBondContact O-N 2.85Å; G26-H97 VanDerWaalsContact CA-O 3.31Å; G26-H97 WeakPolarHBondContact CA-O 3.29Å; G26-H97 PolarHBondContact N-O 2.87Å; W34-H97 HydrophobicContact CH2-CB 4.34Å; W34-H97 HydrophobicContact CZ2-CB 4.02Å; H97-M99 PolarHBondContact O-N 2.63Å; H97-G100 WeakPolarHBondContact O-CA 3.35Å; H97-G100 PolarHBondContact O-N 3.36Å; H97-G101 PolarHBondContact O-N 2.97Å; H97-I122 WeakPolarHBondContact CA-O 3.41Å; H97-I122 HydrophobicContact CB-CB 4.37Å; H97-I122 PolarHBondContact CD2-O 3.06Å; H97-H292 AromaticContact CE1-CD2 3.54Å; H97-H292 AromaticContact CE1-NE2 3.63Å; H97-H292 AromaticContact NE2-CD2 3.57Å; H97-H292 AromaticContact NE2-CE1 3.98Å; H97-H292 AromaticContact NE2-NE2 3.56Å; H97-H292 PolarHBondContact NE2-O 3.48Å; H97-H295 AromaticContact CD2-CE1 3.91Å; H97-H295 AromaticContact CD2-ND1 3.9Å; H97-H295 AromaticContact CG-CE1 3.34Å; H97-H295 AromaticContact CG-ND1 3.67Å; H97-H295 AromaticContact ND1-CE1 3.46Å; H97-H295 PolarHBondContact ND1-CE1 2.99Å
98S95.9Very high98.4Very high20 Ų2014 Ų1414%0.149%0.092CC..THydrogen-bonded Turntrans51.7-120.1173.3-173.10000112.3G100 G101 A102 I122 H292S98-G100 VanDerWaalsContact C-N 3.3Å; S98-G100 PolarHBondContact O-N 3.39Å; S98-G101 WeakPolarHBondContact O-CA 3.1Å; S98-G101 PolarHBondContact O-N 2.79Å; S98-A102 PolarHBondContact O-N 2.77Å; S98-I122 PolarHBondContact N-O 2.89Å; S98-H292 VanDerWaalsContact CB-NE2 3.3Å; S98-H292 WeakPolarHBondContact CB-NE2 3.11Å; S98-H292 PolarHBondContact OG-NE2 2.67Å; S98-H292 VanDerWaalsContact OG-NE2 3.09Å
99M98Very high98.5Very high1 Ų111.5 Ų11.51%0.0057%0.074CC..Hα-helixtrans-48.8-48.2170.5-179.9-164.372.500112.1L54 M73 H97 G101 A102 I103 W244L54-M99 HydrophobicContact CD1-CE 3.6Å; M73-M99 HydrophobicContact CE-CE 3.76Å; M73-M99 HydrophobicContact CE-SD 3.93Å; M73-M99 HydrophobicContact SD-SD 4.48Å; H97-M99 PolarHBondContact O-N 2.63Å; M99-G101 PolarHBondContact O-N 3.15Å; M99-A102 WeakPolarHBondContact O-CB 3.13Å; M99-A102 PolarHBondContact O-N 3.29Å; M99-A102 VanDerWaalsContact O-N 3.11Å; M99-I103 WeakPolarHBondContact O-CG1 3.49Å; M99-I103 PolarHBondContact O-N 3.11Å; M99-W244 HydrophobicContact CB-CE3 4.29Å; M99-W244 HydrophobicContact CB-CZ3 4.25Å; M99-W244 HydrophobicContact CG-CD2 4.08Å; M99-W244 HydrophobicContact CG-CE3 3.82Å; M99-W244 HydrophobicContact CG-CH2 4.02Å; M99-W244 HydrophobicContact CG-CZ2 4.28Å; M99-W244 HydrophobicContact CG-CZ3 3.76Å; M99-W244 HydrophobicContact SD-CH2 3.66Å; M99-W244 HydrophobicContact SD-CZ2 4.02Å; M99-W244 HydrophobicContact SD-CZ3 3.93Å
100G98.8Very high98.6Very high0 Ų013.2 Ų13.20%09%0.09CC..Hα-helixtrans-63.2-28.7176.600000113.4H25 H97 S98 A104H25-G100 VanDerWaalsContact O-CA 3.25Å; H25-G100 WeakPolarHBondContact O-CA 3.18Å; H25-G100 PolarHBondContact O-N 2.9Å; H97-G100 WeakPolarHBondContact O-CA 3.35Å; H97-G100 PolarHBondContact O-N 3.36Å; S98-G100 VanDerWaalsContact C-N 3.3Å; S98-G100 PolarHBondContact O-N 3.39Å; G100-A104 WeakPolarHBondContact O-CB 3.29Å; G100-A104 PolarHBondContact O-N 2.74Å
101G98.7Very high98.5Very high0 Ų018 Ų180%012%0.115CC..Hα-helixtrans-64.7-46.7170.400000111.8G96 H97 S98 M99 A104 V105G96-G101 VanDerWaalsContact C-N 3.28Å; G96-G101 WeakPolarHBondContact O-CA 3.24Å; H97-G101 PolarHBondContact O-N 2.97Å; S98-G101 WeakPolarHBondContact O-CA 3.1Å; S98-G101 PolarHBondContact O-N 2.79Å; M99-G101 PolarHBondContact O-N 3.15Å; G101-A104 PolarHBondContact O-N 3.37Å; G101-V105 WeakPolarHBondContact O-CG2 3.5Å; G101-V105 PolarHBondContact O-N 3.33Å; G101-V105 VanDerWaalsContact O-N 3.14Å
102A98.7Very high98.5Very high0 Ų017.3 Ų17.30%011%0.107CC..Hα-helixtrans-59-49.6173.400000111.5S98 M99 A104 V105 H106 W244 F245 L248S98-A102 PolarHBondContact O-N 2.77Å; M99-A102 WeakPolarHBondContact O-CB 3.13Å; M99-A102 PolarHBondContact O-N 3.29Å; M99-A102 VanDerWaalsContact O-N 3.11Å; A102-A104 VanDerWaalsContact C-N 3.3Å; A102-A104 PolarHBondContact O-N 3.46Å; A102-V105 WeakPolarHBondContact O-CB 3.33Å; A102-V105 PolarHBondContact O-N 3.5Å; A102-V105 VanDerWaalsContact O-N 3.1Å; A102-H106 PolarHBondContact O-CD2 3.37Å; A102-H106 PolarHBondContact O-N 3.33Å; A102-W244 HydrophobicContact CB-CB 4.23Å; A102-W244 WeakPolarHBondContact CB-O 3.33Å; A102-F245 HydrophobicContact CB-CD1 4.15Å; A102-F245 HydrophobicContact CB-CE1 4.07Å; A102-L248 HydrophobicContact CB-CD1 4.1Å; A102-L248 HydrophobicContact CB-CD2 3.84Å
103I98.9Very high98.5Very high0 Ų017.4 Ų17.40%011%0.107CC..Hα-helixtrans-60.1-40.4178.6-58.9-44.1000111.4L24 A70 M73 A74 V77 M99 V105 H106 T107L24-I103 HydrophobicContact CD1-CB 4.48Å; L24-I103 HydrophobicContact CD1-CG2 4.28Å; A70-I103 HydrophobicContact CB-CD1 4.25Å; M73-I103 HydrophobicContact CB-CD1 3.79Å; M73-I103 HydrophobicContact CB-CG1 4Å; M73-I103 HydrophobicContact CB-CG2 4.07Å; M73-I103 HydrophobicContact CE-CG1 4.22Å; M73-I103 HydrophobicContact SD-CD1 4.17Å; M73-I103 HydrophobicContact SD-CG1 4.33Å; A74-I103 HydrophobicContact CB-CG2 4.43Å; V77-I103 HydrophobicContact CG2-CG2 4.03Å; M99-I103 WeakPolarHBondContact O-CG1 3.49Å; M99-I103 PolarHBondContact O-N 3.11Å; I103-V105 VanDerWaalsContact C-N 3.31Å; I103-V105 PolarHBondContact O-N 3.02Å; I103-H106 PolarHBondContact O-N 3.47Å; I103-T107 WeakPolarHBondContact O-CB 3.46Å; I103-T107 PolarHBondContact O-N 2.95Å; I103-T107 PolarHBondContact O-OG1 3.35Å
104A98.9Very high98.4Very high0 Ų022.2 Ų22.20%014%0.139CC..Hα-helixtrans-58.9-41.5175.800000112.2L24 M94 G100 G101 A102 A108 L119L24-A104 HydrophobicContact CD1-CB 3.97Å; M94-A104 HydrophobicContact CB-CB 4.37Å; M94-A104 WeakPolarHBondContact CE-O 3.33Å; G100-A104 WeakPolarHBondContact O-CB 3.29Å; G100-A104 PolarHBondContact O-N 2.74Å; G101-A104 PolarHBondContact O-N 3.37Å; A102-A104 VanDerWaalsContact C-N 3.3Å; A102-A104 PolarHBondContact O-N 3.46Å; A104-A108 VanDerWaalsContact O-CB 3.31Å; A104-A108 WeakPolarHBondContact O-CB 3.42Å; A104-A108 PolarHBondContact O-N 3.46Å; A104-L119 HydrophobicContact CB-CD1 3.65Å
105V98.9Very high98.4Very high1 Ų123.5 Ų23.51%0.00615%0.148CC..Hα-helixtrans-65.5-46.6176176.50000111.2G101 A102 I103 T107 A108 S109 L119 V121 L248 L251 F252G101-V105 WeakPolarHBondContact O-CG2 3.5Å; G101-V105 PolarHBondContact O-N 3.33Å; G101-V105 VanDerWaalsContact O-N 3.14Å; A102-V105 WeakPolarHBondContact O-CB 3.33Å; A102-V105 PolarHBondContact O-N 3.5Å; A102-V105 VanDerWaalsContact O-N 3.1Å; I103-V105 VanDerWaalsContact C-N 3.31Å; I103-V105 PolarHBondContact O-N 3.02Å; V105-T107 VanDerWaalsContact C-N 3.35Å; V105-T107 PolarHBondContact O-N 2.82Å; V105-A108 PolarHBondContact O-N 3.26Å; V105-S109 WeakPolarHBondContact O-CB 3.37Å; V105-S109 PolarHBondContact O-N 3.17Å; V105-L119 HydrophobicContact CG2-CD2 4.03Å; V105-V121 HydrophobicContact CG2-CG2 3.78Å; V105-L248 HydrophobicContact CB-CD1 3.61Å; V105-L248 HydrophobicContact CG1-CD1 3.72Å; V105-L248 HydrophobicContact CG2-CD1 3.91Å; V105-L251 HydrophobicContact CG1-CB 3.91Å; V105-L251 HydrophobicContact CG1-CD2 3.95Å; V105-L251 HydrophobicContact CG1-CG 3.82Å; V105-F252 HydrophobicContact CG1-CB 4.06Å; V105-F252 HydrophobicContact CG2-CB 4.05Å; V105-F252 HydrophobicContact CG2-CD2 4Å
106H98.9Very high98.4Very high39 Ų3924.7 Ų24.718%0.18115%0.154CC..Hα-helixtrans-60.3-44.3177.1-77.8-78.2000111.5A74 A102 I103 A108 S109 A110 G243 W244A74-H106 HydrophobicContact CB-CB 4Å; A102-H106 PolarHBondContact O-CD2 3.37Å; A102-H106 PolarHBondContact O-N 3.33Å; I103-H106 PolarHBondContact O-N 3.47Å; H106-A108 PolarHBondContact O-N 3.35Å; H106-S109 PolarHBondContact O-N 2.65Å; H106-A110 VanDerWaalsContact O-CB 3.3Å; H106-A110 WeakPolarHBondContact O-CB 3.27Å; H106-A110 PolarHBondContact O-N 3.3Å; H106-G243 PolarHBondContact NE2-O 3.33Å; H106-W244 PolarHBondContact NE2-O 2.96Å
107T98.9Very high98.4Very high0 Ų026.1 Ų26.10%016%0.161CC..Hα-helixtrans-60.4-44.7175-61.60000111.8A74 V77 M94 I103 V105 N111 L112 V113A74-T107 VanDerWaalsContact CA-OG1 3.29Å; A74-T107 WeakPolarHBondContact CA-OG1 3.49Å; A74-T107 WeakPolarHBondContact CB-OG1 3.38Å; A74-T107 PolarHBondContact O-OG1 3.39Å; V77-T107 HydrophobicContact CB-CG2 4.15Å; V77-T107 HydrophobicContact CG1-CG2 3.82Å; M94-T107 HydrophobicContact CE-CG2 3.99Å; M94-T107 HydrophobicContact SD-CG2 3.71Å; I103-T107 WeakPolarHBondContact O-CB 3.46Å; I103-T107 PolarHBondContact O-N 2.95Å; I103-T107 PolarHBondContact O-OG1 3.35Å; V105-T107 VanDerWaalsContact C-N 3.35Å; V105-T107 PolarHBondContact O-N 2.82Å; T107-N111 PolarHBondContact O-N 3.31Å; T107-L112 HydrophobicContact CG2-CB 3.94Å; T107-L112 PolarHBondContact O-N 3.13Å; T107-L112 VanDerWaalsContact O-N 3.13Å; T107-V113 HydrophobicContact CG2-CG2 3.76Å
108A98.8Very high98.4Very high12 Ų1226.1 Ų26.110%0.09916%0.161CC..Hα-helixtrans-66.1-46.8179.300000111.7M94 A104 V105 H106 A110 N111 L116 L119M94-A108 HydrophobicContact CE-CB 3.71Å; A104-A108 VanDerWaalsContact O-CB 3.31Å; A104-A108 WeakPolarHBondContact O-CB 3.42Å; A104-A108 PolarHBondContact O-N 3.46Å; V105-A108 PolarHBondContact O-N 3.26Å; H106-A108 PolarHBondContact O-N 3.35Å; A108-A110 VanDerWaalsContact C-N 3.31Å; A108-A110 PolarHBondContact O-N 3.02Å; A108-N111 PolarHBondContact O-N 2.82Å; A108-L116 HydrophobicContact CB-CD2 3.48Å; A108-L116 VanDerWaalsContact CB-CD2 3.48Å; A108-L119 HydrophobicContact CB-CD2 4.14Å
109S98.5Very high98.5Very high51 Ų5125.2 Ų25.236%0.35716%0.155SC..Hα-helixtrans-65.6-34.2-179.5-175.20000112.8V105 H106 N111 L251V105-S109 WeakPolarHBondContact O-CB 3.37Å; V105-S109 PolarHBondContact O-N 3.17Å; H106-S109 PolarHBondContact O-N 2.65Å; S109-N111 PolarHBondContact O-N 2.7Å; S109-L251 WeakPolarHBondContact OG-CD1 3.38Å
110A98.4Very high98.6Very high62 Ų6225.1 Ų25.151%0.51216%0.155SC..THydrogen-bonded Turntrans-80.11.7174.900000113H106 A108 L112H106-A110 VanDerWaalsContact O-CB 3.3Å; H106-A110 WeakPolarHBondContact O-CB 3.27Å; H106-A110 PolarHBondContact O-N 3.3Å; A108-A110 VanDerWaalsContact C-N 3.31Å; A108-A110 PolarHBondContact O-N 3.02Å; A110-L112 HydrophobicContact CB-CD1 4Å; A110-L112 HydrophobicContact CB-CD2 4.36Å; A110-L112 HydrophobicContact CB-CG 3.75Å; A110-L112 PolarHBondContact O-N 2.61Å
111N98.1Very high98.6Very high118 Ų11825.3 Ų25.363%0.63116%0.156SC*.THydrogen-bonded Turntrans53.138.6-179.8-162.652.5000113.4T107 A108 S109 V113T107-N111 PolarHBondContact O-N 3.31Å; A108-N111 PolarHBondContact O-N 2.82Å; S109-N111 PolarHBondContact O-N 2.7Å; N111-V113 VanDerWaalsContact C-N 3.26Å; N111-V113 PolarHBondContact O-N 3.33Å
112L98.4Very high98.5Very high58 Ų5825.3 Ų25.330%0.30416%0.156SC..  trans-80.4-7-176.1-63.3176.5000113.5A74 K75 T107 A110A74-L112 HydrophobicContact CB-CD1 4.07Å; A74-L112 VanDerWaalsContact O-CD1 3.29Å; A74-L112 WeakPolarHBondContact O-CD1 3.34Å; K75-L112 HydrophobicContact CG-CD1 4.34Å; T107-L112 HydrophobicContact CG2-CB 3.94Å; T107-L112 PolarHBondContact O-N 3.13Å; T107-L112 VanDerWaalsContact O-N 3.13Å; A110-L112 HydrophobicContact CB-CD1 4Å; A110-L112 HydrophobicContact CB-CD2 4.36Å; A110-L112 HydrophobicContact CB-CG 3.75Å; A110-L112 PolarHBondContact O-N 2.61Å
113V98.4Very high98.2Very high2 Ų225.6 Ų25.61%0.01216%0.157CC..  trans-124.694.5176.3179.60000107.6V81 I92 M94 T107 N111 S115 L116V81-V113 HydrophobicContact CG1-CG1 4.33Å; V81-V113 HydrophobicContact CG2-CG2 4Å; I92-V113 HydrophobicContact CB-CG1 4.06Å; I92-V113 HydrophobicContact CD1-CG1 3.77Å; I92-V113 HydrophobicContact CG2-CG1 4.04Å; M94-V113 HydrophobicContact SD-CG2 4.11Å; T107-V113 HydrophobicContact CG2-CG2 3.76Å; N111-V113 VanDerWaalsContact C-N 3.26Å; N111-V113 PolarHBondContact O-N 3.33Å; V113-S115 PolarHBondContact O-N 3Å; V113-L116 HydrophobicContact CB-CB 4.19Å; V113-L116 HydrophobicContact CG1-CB 4.09Å; V113-L116 VanDerWaalsContact O-CB 3.23Å; V113-L116 WeakPolarHBondContact O-CB 3.5Å; V113-L116 PolarHBondContact O-N 2.91Å; V113-L116 VanDerWaalsContact O-N 3.09Å
114P96.9Very high97.8Very high102 Ų10226 Ų2666%0.66216%0.16SC*.THydrogen-bonded Turntrans-61.5-27.4-171.5-27.135.5000115
115S98.4Very high97.4Very high27 Ų2726.1 Ų26.119%0.18916%0.16CC..THydrogen-bonded Turntrans-98.119.2179.560.90000113.4P89 P90 I92 V113 L117P89-S115 WeakPolarHBondContact CB-OG 2.99Å; P89-S115 WeakPolarHBondContact CG-OG 3.45Å; P89-S115 WeakPolarHBondContact O-CB 3.49Å; P90-S115 WeakPolarHBondContact O-CB 3.38Å; P90-S115 PolarHBondContact O-OG 2.84Å; I92-S115 PolarHBondContact N-O 2.94Å; V113-S115 PolarHBondContact O-N 3Å; S115-L117 PolarHBondContact O-N 3.02Å
116L98.8Very high97.1Very high26 Ų2627.8 Ų27.814%0.13617%0.168CC..EExtended strand (participates in β ladder)trans-63.8119.9177.4-174.871.2000110.2I92 M94 A108 V113 G118 V257I92-L116 HydrophobicContact CG2-CD1 4.46Å; I92-L116 WeakPolarHBondContact O-CA 3.48Å; I92-L116 WeakPolarHBondContact O-CD1 3.38Å; M94-L116 HydrophobicContact CB-CD1 4.01Å; M94-L116 HydrophobicContact CE-CD1 3.66Å; M94-L116 HydrophobicContact CE-CD2 3.75Å; M94-L116 HydrophobicContact CE-CG 4.37Å; M94-L116 HydrophobicContact CG-CD1 3.6Å; M94-L116 HydrophobicContact SD-CD1 4.16Å; A108-L116 HydrophobicContact CB-CD2 3.48Å; A108-L116 VanDerWaalsContact CB-CD2 3.48Å; V113-L116 HydrophobicContact CB-CB 4.19Å; V113-L116 HydrophobicContact CG1-CB 4.09Å; V113-L116 VanDerWaalsContact O-CB 3.23Å; V113-L116 WeakPolarHBondContact O-CB 3.5Å; V113-L116 PolarHBondContact O-N 2.91Å; V113-L116 VanDerWaalsContact O-N 3.09Å; L116-G118 WeakPolarHBondContact CD1-O 3.24Å; L116-V257 HydrophobicContact CD2-CG1 4.28Å; L116-V257 HydrophobicContact CD2-CG2 4.19Å; L116-V257 HydrophobicContact CG-CG1 4.21Å; L116-V257 WeakPolarHBondContact O-CG1 3.27Å
117L98.4Very high96.5Very high30 Ų3027.2 Ų27.216%0.15717%0.172CC..EExtended strand (participates in β ladder)trans-108.3-15.2179.857.684.4000113.7P19 P91 I92 M93 S115 P258 F315P19-L117 HydrophobicContact CB-CD2 4.31Å; P91-L117 HydrophobicContact CB-CD2 3.13Å; I92-L117 WeakPolarHBondContact O-CG 3.26Å; I92-L117 PolarHBondContact O-N 3.16Å; M93-L117 HydrophobicContact CB-CD1 3.97Å; S115-L117 PolarHBondContact O-N 3.02Å; L117-P258 WeakPolarHBondContact O-CD 3.31Å; L117-F315 HydrophobicContact CB-CE1 4.19Å; L117-F315 HydrophobicContact CB-CZ 4.34Å; L117-F315 HydrophobicContact CD1-CB 4.06Å; L117-F315 HydrophobicContact CD1-CD1 3.9Å; L117-F315 HydrophobicContact CD1-CD2 3.4Å; L117-F315 VanDerWaalsContact CD1-CD2 3.4Å; L117-F315 HydrophobicContact CD1-CE1 4.09Å; L117-F315 HydrophobicContact CD1-CE2 3.61Å; L117-F315 HydrophobicContact CD1-CG 3.54Å; L117-F315 HydrophobicContact CD1-CZ 3.93Å; L117-F315 WeakPolarHBondContact O-CZ 2.87Å
118G98.8Very high95.9Very high0 Ų029.5 Ų29.50%019%0.186CC..EExtended strand (participates in β ladder)trans-168.6156.9-177.100000112.8M94 L116 P258M94-G118 PolarHBondContact N-O 3.25Å; L116-G118 WeakPolarHBondContact CD1-O 3.24Å; G118-P258 WeakPolarHBondContact CA-O 3.22Å
119L98.9Very high95.3Very high0 Ų029.7 Ų29.70%019%0.188CC..EExtended strand (participates in β ladder)trans-133.1124.8-178.4177.962.5000110.4M94 A104 V105 A108 V121 F252 C255 V257 P258 K259 L260M94-L119 HydrophobicContact CB-CD1 4.11Å; M94-L119 HydrophobicContact CE-CD1 4.31Å; M94-L119 CarbonylContact O-C 3.6Å; M94-L119 WeakPolarHBondContact O-CA 3.34Å; A104-L119 HydrophobicContact CB-CD1 3.65Å; V105-L119 HydrophobicContact CG2-CD2 4.03Å; A108-L119 HydrophobicContact CB-CD2 4.14Å; L119-V121 HydrophobicContact CD1-CG2 4.43Å; L119-V121 HydrophobicContact CG-CG2 4.24Å; L119-F252 HydrophobicContact CD2-CD2 3.88Å; L119-F252 HydrophobicContact CD2-CE2 4.19Å; L119-F252 HydrophobicContact CG-CE2 4.43Å; L119-C255 HydrophobicContact CD2-CB 4.48Å; L119-V257 HydrophobicContact CB-CG2 3.93Å; L119-P258 PolarHBondContact N-O 3.34Å; L119-K259 HydrophobicContact CB-CG 4.31Å; L119-K259 CarbonylContact O-C 3.58Å; L119-K259 VanDerWaalsContact O-CA 3.28Å; L119-K259 WeakPolarHBondContact O-CA 3.39Å; L119-L260 PolarHBondContact O-N 3.42Å
120C98.8Very high94.8Very high0 Ų029.3 Ų29.30%018%0.181CC..EExtended strand (participates in β ladder)trans-114.8130.4170.5-178.20000110.4M93 M94 I95 G96 L260 L306M93-C120 HydrophobicContact CE-CB 3.87Å; M94-C120 PolarHBondContact O-N 3.09Å; I95-C120 WeakPolarHBondContact CA-O 3.35Å; I95-C120 HydrophobicContact CB-CB 4.19Å; I95-C120 HydrophobicContact CG1-CB 3.75Å; I95-C120 HydrophobicContact CG2-CB 3.98Å; G96-C120 PolarHBondContact N-O 3.4Å; C120-L260 CarbonylContact C-O 3.58Å; C120-L260 VanDerWaalsContact CA-O 3.26Å; C120-L260 WeakPolarHBondContact CA-O 3.21Å; C120-L260 HydrophobicContact CB-CB 4.16Å; C120-L260 HydrophobicContact CB-CD2 4.48Å; C120-L306 HydrophobicContact CB-CD1 4.19Å
121V98.4Very high94.2Very high4 Ų432.9 Ų32.92%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-117.5128.9176.9176.60000108.3V105 L119 V124 F252 L260 L261 L262V105-V121 HydrophobicContact CG2-CG2 3.78Å; L119-V121 HydrophobicContact CD1-CG2 4.43Å; L119-V121 HydrophobicContact CG-CG2 4.24Å; V121-V124 HydrophobicContact CG1-CB 4.47Å; V121-V124 HydrophobicContact CG1-CG1 3.12Å; V121-F252 HydrophobicContact CB-CE2 4.33Å; V121-F252 HydrophobicContact CG2-CD2 3.87Å; V121-F252 HydrophobicContact CG2-CE2 3.79Å; V121-L260 PolarHBondContact N-O 3.46Å; V121-L261 HydrophobicContact CB-CD1 3.98Å; V121-L261 HydrophobicContact CG1-CD1 3.96Å; V121-L261 WeakPolarHBondContact O-CA 3.26Å; V121-L262 PolarHBondContact O-N 3.4Å
122I97.6Very high93.6Very high0 Ų029.3 Ų29.30%018%0.178CC..EExtended strand (participates in β ladder)trans-114118.9-178.3-50.3-169.7000109.6W34 I95 G96 H97 S98 V124 L262 V294 H295 V302W34-I122 HydrophobicContact CH2-CD1 3.7Å; W34-I122 HydrophobicContact CZ3-CD1 4Å; I95-I122 HydrophobicContact CG2-CD1 4.02Å; I95-I122 HydrophobicContact CG2-CG1 4.32Å; G96-I122 PolarHBondContact O-N 3.08Å; H97-I122 WeakPolarHBondContact CA-O 3.41Å; H97-I122 HydrophobicContact CB-CB 4.37Å; H97-I122 PolarHBondContact CD2-O 3.06Å; S98-I122 PolarHBondContact N-O 2.89Å; I122-V124 VanDerWaalsContact C-N 3.35Å; I122-V124 PolarHBondContact O-N 2.88Å; I122-L262 WeakPolarHBondContact CA-O 3.18Å; I122-L262 HydrophobicContact CD1-CD1 4.14Å; I122-L262 HydrophobicContact CG1-CB 4.27Å; I122-L262 HydrophobicContact CG1-CD1 4.23Å; I122-L262 HydrophobicContact CG2-CB 4.35Å; I122-V294 HydrophobicContact CG2-CB 3.98Å; I122-V294 HydrophobicContact CG2-CG2 4.28Å; I122-H295 HydrophobicContact CD1-CB 4.2Å; I122-V302 HydrophobicContact CD1-CG1 3.88Å
123D92.4Very high92.8Very high6 Ų627.8 Ų27.83%0.03217%0.17CC..SBendtrans54.944167.3-146.441.1000114.3L262 A264 R268 H292 V294D123-L262 PolarHBondContact N-O 3.29Å; D123-A264 PolarHBondContact OD1-N 2.86Å; D123-A264 VanDerWaalsContact OD1-N 3.16Å; D123-R268 WeakPolarHBondContact OD1-CD 3.46Å; D123-R268 IonicContact OD1-CZ 2.64Å; D123-R268 VanDerWaalsContact OD1-CZ 3.26Å; D123-R268 IonicContact OD1-NE 3.36Å; D123-R268 IonicContact OD1-NH1 3.18Å; D123-R268 PolarHBondContact OD1-NH1 3.4Å; D123-R268 IonicContact OD2-CZ 3.6Å; D123-R268 IonicContact OD2-NH1 3.86Å; D123-R268 PolarHBondContact OD2-NH1 2.87Å; D123-R268 IonicContact OD2-NH2 3.97Å; D123-H292 WeakPolarHBondContact OD2-CA 3.11Å; D123-H292 IonicContact OD2-ND1 2.73Å; D123-H292 PolarHBondContact OD2-ND1 2.87Å; D123-V294 HydrophobicContact CB-CG2 4.16Å
124V90.1Very high91.8Very high9 Ų933.6 Ų33.66%0.05520%0.201CC..  trans-139.2127.7168.158.20000110.6V121 I122 A129 F245 L248V121-V124 HydrophobicContact CG1-CB 4.47Å; V121-V124 HydrophobicContact CG1-CG1 3.12Å; I122-V124 VanDerWaalsContact C-N 3.35Å; I122-V124 PolarHBondContact O-N 2.88Å; V124-A129 HydrophobicContact CG2-CB 4.4Å; V124-F245 HydrophobicContact CG2-CD1 3.73Å; V124-F245 HydrophobicContact CG2-CE1 3.72Å; V124-L248 HydrophobicContact CG1-CD2 4.5Å; V124-L248 HydrophobicContact CG2-CD2 3.74Å
125V91.1Very high91.2Very high2 Ų232.1 Ų32.11%0.01219%0.193CC..  trans-139.4132.9174.2175.40000107G127 T128 A129 L263 R268 D270 L273V125-G127 PolarHBondContact O-N 3.33Å; V125-T128 PolarHBondContact O-N 3.47Å; V125-T128 PolarHBondContact O-OG1 3.23Å; V125-A129 WeakPolarHBondContact O-CB 3.18Å; V125-A129 PolarHBondContact O-N 3.09Å; V125-L263 HydrophobicContact CG2-CD2 3.84Å; V125-R268 WeakPolarHBondContact CB-O 3.4Å; V125-R268 WeakPolarHBondContact CG1-O 3.48Å; V125-R268 HydrophobicContact CG2-CB 4.5Å; V125-R268 VanDerWaalsContact CG2-O 3.29Å; V125-R268 WeakPolarHBondContact CG2-O 3.29Å; V125-D270 HydrophobicContact CG1-CB 3.8Å; V125-D270 VanDerWaalsContact CG1-CG 3.49Å; V125-D270 VanDerWaalsContact CG1-OD2 3.29Å; V125-D270 WeakPolarHBondContact CG1-OD2 3.18Å; V125-L273 HydrophobicContact CB-CD1 4.09Å; V125-L273 HydrophobicContact CG1-CD1 3.61Å; V125-L273 HydrophobicContact CG1-CG 4.42Å; V125-L273 HydrophobicContact CG2-CD1 3.71Å
126E91.3Very high90.6Very high36 Ų3633.3 Ų33.317%0.16820%0.197CC..Hα-helixtrans-51.1-56.7-171.9170173.8-178.600112.5T128 A129 M130 F245 G247 L248 S249E126-T128 PolarHBondContact O-N 3.46Å; E126-A129 PolarHBondContact O-N 3.43Å; E126-A129 VanDerWaalsContact O-N 3.16Å; E126-M130 HydrophobicContact CG-CG 4.27Å; E126-M130 WeakPolarHBondContact O-CB 3.4Å; E126-M130 VanDerWaalsContact O-CG 3.28Å; E126-M130 WeakPolarHBondContact O-CG 3.34Å; E126-M130 PolarHBondContact O-N 3.21Å; E126-F245 VanDerWaalsContact CG-O 3.23Å; E126-F245 WeakPolarHBondContact CG-O 3.49Å; E126-G247 PolarHBondContact OE1-N 3.17Å; E126-G247 WeakPolarHBondContact OE2-CA 3.35Å; E126-G247 PolarHBondContact OE2-N 2.95Å; E126-G247 VanDerWaalsContact OE2-N 3.16Å; E126-L248 HydrophobicContact CB-CB 4.36Å; E126-L248 PolarHBondContact OE2-N 2.71Å; E126-S249 WeakPolarHBondContact CB-OG 3.44Å; E126-S249 PolarHBondContact N-OG 2.63Å; E126-S249 PolarHBondContact OE2-N 3.37Å
127G86.6Confident90Very high26 Ų2632.6 Ų32.627%0.26819%0.193SC..Hα-helixtrans-54.3-54-175.100000112.6V125 A129 M130 D131 D270V125-G127 PolarHBondContact O-N 3.33Å; G127-A129 PolarHBondContact O-N 3.37Å; G127-M130 PolarHBondContact O-N 3.45Å; G127-D131 PolarHBondContact O-N 2.89Å; G127-D131 VanDerWaalsContact O-N 3.1Å; G127-D270 PolarHBondContact N-OD2 3.4Å
128T86.6Confident89.5Confident48 Ų4836.2 Ų36.229%0.29421%0.212SC..Hα-helixtrans-68.4-32.3179.461.70000113.9V125 E126 A132 R268V125-T128 PolarHBondContact O-N 3.47Å; V125-T128 PolarHBondContact O-OG1 3.23Å; E126-T128 PolarHBondContact O-N 3.46Å; T128-A132 WeakPolarHBondContact O-CB 3.41Å; T128-A132 PolarHBondContact O-N 3.12Å; T128-R268 HydrophobicContact CG2-CB 4.5Å; T128-R268 WeakPolarHBondContact CG2-O 3.44Å
129A85.8Confident89Confident16 Ų1641 Ų4113%0.13223%0.233CC..Hα-helixtrans-65.9-43.8176.600000110.9V124 V125 E126 G127 A132 L133 F245V124-A129 HydrophobicContact CG2-CB 4.4Å; V125-A129 WeakPolarHBondContact O-CB 3.18Å; V125-A129 PolarHBondContact O-N 3.09Å; E126-A129 PolarHBondContact O-N 3.43Å; E126-A129 VanDerWaalsContact O-N 3.16Å; G127-A129 PolarHBondContact O-N 3.37Å; A129-A132 PolarHBondContact O-N 2.6Å; A129-L133 WeakPolarHBondContact O-CD2 3.38Å; A129-L133 VanDerWaalsContact O-CG 3.3Å; A129-L133 WeakPolarHBondContact O-CG 3.5Å; A129-L133 PolarHBondContact O-N 3.38Å; A129-F245 HydrophobicContact CB-CB 4.19Å; A129-F245 HydrophobicContact CB-CD1 4.01Å; A129-F245 HydrophobicContact CB-CD2 4.26Å; A129-F245 HydrophobicContact CB-CE1 4.5Å; A129-F245 HydrophobicContact CB-CG 3.89Å
130M88.1Confident88.6Confident44 Ų4441.8 Ų41.822%0.21724%0.237CC..Hα-helixtrans-63.8-42.5177.6-68.5-57.9-67.200111.9E126 G127 A132 L133 D242 F245E126-M130 HydrophobicContact CG-CG 4.27Å; E126-M130 WeakPolarHBondContact O-CB 3.4Å; E126-M130 VanDerWaalsContact O-CG 3.28Å; E126-M130 WeakPolarHBondContact O-CG 3.34Å; E126-M130 PolarHBondContact O-N 3.21Å; G127-M130 PolarHBondContact O-N 3.45Å; M130-A132 VanDerWaalsContact C-N 3.29Å; M130-A132 PolarHBondContact O-N 3.24Å; M130-L133 HydrophobicContact CE-CD1 4.19Å; M130-L133 PolarHBondContact O-N 3.36Å; M130-L133 HydrophobicContact SD-CD1 3.97Å; M130-D242 WeakPolarHBondContact CE-OD1 3.46Å; M130-F245 HydrophobicContact CG-CB 4.5Å; M130-F245 HydrophobicContact SD-CB 3.94Å
131D87.1Confident88.2Confident137 Ų13750.2 Ų50.273%0.73327%0.269SS*.Hα-helixtrans-65.3-34.4176-68.8-21.8000112.1G127G127-D131 PolarHBondContact O-N 2.89Å; G127-D131 VanDerWaalsContact O-N 3.1Å
132A84.3Confident87.8Confident42 Ų4254.4 Ų54.435%0.34730%0.298SS..Hα-helixtrans-78.3-15.6-177.200000114.4T128 A129 M130 N134 S135 M136T128-A132 WeakPolarHBondContact O-CB 3.41Å; T128-A132 PolarHBondContact O-N 3.12Å; A129-A132 PolarHBondContact O-N 2.6Å; M130-A132 VanDerWaalsContact C-N 3.29Å; M130-A132 PolarHBondContact O-N 3.24Å; A132-N134 VanDerWaalsContact C-N 3.3Å; A132-N134 PolarHBondContact O-N 2.73Å; A132-S135 PolarHBondContact O-N 2.86Å; A132-S135 PolarHBondContact O-OG 3.09Å; A132-M136 PolarHBondContact O-N 3.03Å
133L81.6Confident87.7Confident26 Ų2655.8 Ų55.814%0.13630%0.304CS..Hα-helixtrans-54.3-43.4-173.2-63.2-174.7000112.9A129 M130 M136 Q137 W241 F245A129-L133 WeakPolarHBondContact O-CD2 3.38Å; A129-L133 VanDerWaalsContact O-CG 3.3Å; A129-L133 WeakPolarHBondContact O-CG 3.5Å; A129-L133 PolarHBondContact O-N 3.38Å; M130-L133 HydrophobicContact CE-CD1 4.19Å; M130-L133 PolarHBondContact O-N 3.36Å; M130-L133 HydrophobicContact SD-CD1 3.97Å; L133-M136 WeakPolarHBondContact O-CB 3.43Å; L133-M136 PolarHBondContact O-N 3.37Å; L133-Q137 PolarHBondContact O-N 3.1Å; L133-W241 HydrophobicContact CB-CE3 4.14Å; L133-W241 HydrophobicContact CD1-CB 4.18Å; L133-W241 HydrophobicContact CD2-CB 3.89Å; L133-W241 HydrophobicContact CD2-CD2 4.24Å; L133-W241 HydrophobicContact CD2-CE3 3.78Å; L133-W241 HydrophobicContact CD2-CG 4.35Å; L133-W241 HydrophobicContact CG-CE3 4.4Å; L133-F245 HydrophobicContact CD2-CD2 3.99Å; L133-F245 HydrophobicContact CD2-CE2 3.97Å
134N77.3Confident87.9Confident124 Ų12457.5 Ų57.566%0.66332%0.315SS*.Hα-helixtrans-65.8-40.7177.7-72.9-37.9000112.3A132 M136 Q137A132-N134 VanDerWaalsContact C-N 3.3Å; A132-N134 PolarHBondContact O-N 2.73Å; N134-M136 VanDerWaalsContact C-N 3.29Å; N134-M136 PolarHBondContact O-N 3.49Å; N134-Q137 PolarHBondContact O-N 3.49Å
135S85.3Confident88.1Confident71 Ų7165.6 Ų65.650%0.49735%0.35SS..Hα-helixtrans-66.7-33.5178.176.80000112.1A132 Q137 N138 F139A132-S135 PolarHBondContact O-N 2.86Å; A132-S135 PolarHBondContact O-OG 3.09Å; S135-Q137 PolarHBondContact O-N 3.34Å; S135-N138 PolarHBondContact O-N 2.95Å; S135-F139 PolarHBondContact O-N 3.48Å
136M85.6Confident88.4Confident53 Ų5369 Ų6926%0.26137%0.37SS..Hα-helixtrans-63.6-40.8178.6-176.9174.2162.100111.3A132 L133 N134 N138 F139 L140 L234 W241A132-M136 PolarHBondContact O-N 3.03Å; L133-M136 WeakPolarHBondContact O-CB 3.43Å; L133-M136 PolarHBondContact O-N 3.37Å; N134-M136 VanDerWaalsContact C-N 3.29Å; N134-M136 PolarHBondContact O-N 3.49Å; M136-N138 VanDerWaalsContact C-N 3.33Å; M136-N138 PolarHBondContact O-N 3.04Å; M136-F139 PolarHBondContact O-N 2.94Å; M136-L140 HydrophobicContact CE-CD1 4.1Å; M136-L140 HydrophobicContact CG-CD1 4.11Å; M136-L140 HydrophobicContact CG-CG 4.29Å; M136-L140 WeakPolarHBondContact O-CB 3.4Å; M136-L140 WeakPolarHBondContact O-CG 3.23Å; M136-L140 PolarHBondContact O-N 3.43Å; M136-L234 HydrophobicContact CE-CD2 3.35Å; M136-L234 HydrophobicContact CE-CG 3.87Å; M136-W241 HydrophobicContact CB-CH2 4.35Å; M136-W241 HydrophobicContact CB-CZ3 4.27Å; M136-W241 HydrophobicContact CE-CH2 3.85Å; M136-W241 HydrophobicContact CE-CZ2 3.51Å; M136-W241 HydrophobicContact CG-CH2 3.91Å; M136-W241 HydrophobicContact CG-CZ3 4.26Å; M136-W241 HydrophobicContact SD-CH2 3.93Å; M136-W241 HydrophobicContact SD-CZ2 4.13Å; M136-W241 HydrophobicContact SD-CZ3 4.15Å
137Q85.6Confident88.6Confident10 Ų1067.9 Ų67.95%0.04737%0.365CS..Hα-helixtrans-58.6-44174-78.8-68.5-25.200112.4L133 N134 S135 L140 R141 S235 E238 W241L133-Q137 PolarHBondContact O-N 3.1Å; N134-Q137 PolarHBondContact O-N 3.49Å; S135-Q137 PolarHBondContact O-N 3.34Å; Q137-L140 PolarHBondContact O-N 3.18Å; Q137-R141 VanDerWaalsContact O-CG 3.28Å; Q137-R141 WeakPolarHBondContact O-CG 3.48Å; Q137-R141 PolarHBondContact O-N 2.84Å; Q137-S235 PolarHBondContact NE2-O 3.34Å; Q137-E238 VanDerWaalsContact CD-OE2 3.27Å; Q137-E238 VanDerWaalsContact NE2-CD 3.31Å; Q137-E238 PolarHBondContact NE2-OE2 3.16Å; Q137-W241 HydrophobicContact CG-CH2 4.01Å; Q137-W241 HydrophobicContact CG-CZ3 3.91Å
138N88.8Confident89.1Confident106 Ų10673.9 Ų73.957%0.56738%0.384SS*.Hα-helixtrans-64-44.4178.1-66.9-24.5000111.3S135 M136 R141 S142S135-N138 PolarHBondContact O-N 2.95Å; M136-N138 VanDerWaalsContact C-N 3.33Å; M136-N138 PolarHBondContact O-N 3.04Å; N138-R141 PolarHBondContact O-N 3.32Å; N138-S142 PolarHBondContact O-N 2.98Å; N138-S142 VanDerWaalsContact O-N 3.11Å
139F88.4Confident89.6Confident100 Ų10072.9 Ų72.944%0.43938%0.379SS..Hα-helixtrans-58-50.9174.3173.5-103.5000111.4S135 M136 R141 S142 R143S135-F139 PolarHBondContact O-N 3.48Å; M136-F139 PolarHBondContact O-N 2.94Å; F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 2.86Å; F139-S142 PolarHBondContact O-N 3.06Å; F139-S142 VanDerWaalsContact O-N 3.08Å; F139-S142 PolarHBondContact O-OG 3.31Å; F139-R143 PolarHBondContact O-N 3.42Å
140L90.6Very high90.1Very high17 Ų1774.1 Ų74.19%0.08938%0.383CS..Hα-helixtrans-61.1-36.8-177.5-67175.1000112.8M136 Q137 R143 L234 W241M136-L140 HydrophobicContact CE-CD1 4.1Å; M136-L140 HydrophobicContact CG-CD1 4.11Å; M136-L140 HydrophobicContact CG-CG 4.29Å; M136-L140 WeakPolarHBondContact O-CB 3.4Å; M136-L140 WeakPolarHBondContact O-CG 3.23Å; M136-L140 PolarHBondContact O-N 3.43Å; Q137-L140 PolarHBondContact O-N 3.18Å; L140-R143 PolarHBondContact O-NE 2.81Å; L140-L234 HydrophobicContact CD1-CB 4.01Å; L140-L234 HydrophobicContact CD1-CD2 4.27Å; L140-L234 HydrophobicContact CD1-CG 4.2Å; L140-L234 HydrophobicContact CD2-CB 4.28Å; L140-L234 HydrophobicContact CD2-CD2 4.08Å; L140-W241 HydrophobicContact CD1-CH2 3.97Å; L140-W241 HydrophobicContact CD1-CZ2 4.1Å
141R89.4Confident90.6Very high178 Ų17877.9 Ų77.967%0.67240%0.4SS*.Hα-helixtrans-71.5-28.1176.7-70.9173.2-169.5177.33.7113.3Q137 N138 F139 R143Q137-R141 VanDerWaalsContact O-CG 3.28Å; Q137-R141 WeakPolarHBondContact O-CG 3.48Å; Q137-R141 PolarHBondContact O-N 2.84Å; N138-R141 PolarHBondContact O-N 3.32Å; F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 2.86Å; R141-R143 VanDerWaalsContact C-N 3.29Å
142S91.1Very high91Very high91 Ų9174.4 Ų74.464%0.63638%0.381SS*.Hα-helixtrans-75.8-15.9178.775.30000113.7N138 F139N138-S142 PolarHBondContact O-N 2.98Å; N138-S142 VanDerWaalsContact O-N 3.11Å; F139-S142 PolarHBondContact O-N 3.06Å; F139-S142 VanDerWaalsContact O-N 3.08Å; F139-S142 PolarHBondContact O-OG 3.31Å
143R94.6Very high91.7Very high30 Ų3072.4 Ų72.411%0.11337%0.365CS..SBendtrans-68148.5-178.8-62.3-175.6-57.4169.75.3111.4F139 L140 R141 K145 W156 W230F139-R143 PolarHBondContact O-N 3.42Å; L140-R143 PolarHBondContact O-NE 2.81Å; R141-R143 VanDerWaalsContact C-N 3.29Å; R143-K145 PolarHBondContact O-N 3.44Å; R143-W156 HydrophobicContact CB-CH2 4.4Å; R143-W156 HydrophobicContact CB-CZ2 4.31Å; R143-W156 HydrophobicContact CG-CH2 3.97Å; R143-W156 HydrophobicContact CG-CZ2 4.12Å; R143-W230 HydrophobicContact CB-CZ2 4.03Å; R143-W230 HydrophobicContact CG-CZ2 4.35Å
144P95.9Very high92.5Very high42 Ų4272.4 Ų72.427%0.27337%0.365SS..  trans-53138.1168.8-23.633.6000110.7F147 W156 W230P144-F147 HydrophobicContact CB-CE1 4Å; P144-F147 HydrophobicContact CB-CZ 4.14Å; P144-F147 HydrophobicContact CG-CE1 4Å; P144-F147 HydrophobicContact CG-CZ 4.27Å; P144-W156 VanDerWaalsContact CD-CZ2 3.45Å; P144-W156 HydrophobicContact CG-CD2 4.24Å; P144-W156 HydrophobicContact CG-CG 4.26Å; P144-W156 HydrophobicContact CG-CZ2 4.33Å; P144-W230 PolarHBondContact O-NE1 2.76Å
145K95Very high93.5Very high179 Ų17970.7 Ų70.778%0.77835%0.353SS*.SBendtrans-74.2-32.4177.3-67.4-176.1179.4179.50112.1R143 T229R143-K145 PolarHBondContact O-N 3.44Å; K145-T229 PolarHBondContact O-OG1 3.22Å
146T96.8Very high94Very high73 Ų7370.1 Ų70.145%0.44834%0.34SS..EExtended strand (participates in β ladder)trans-142.1160.8-177.956.40000111.1Y228T146-Y228 CarbonylContact C-O 3.53Å; T146-Y228 WeakPolarHBondContact CA-O 3.34Å; T146-Y228 WeakPolarHBondContact CB-O 3.45Å
147F97.1Very high94.6Very high12 Ų1267.6 Ų67.65%0.05333%0.327CS..EExtended strand (participates in β ladder)trans-126.3144.7173.2-56.8-84.5000109.5P144 S149 A153 W156 V177 Y228 W230P144-F147 HydrophobicContact CB-CE1 4Å; P144-F147 HydrophobicContact CB-CZ 4.14Å; P144-F147 HydrophobicContact CG-CE1 4Å; P144-F147 HydrophobicContact CG-CZ 4.27Å; F147-S149 VanDerWaalsContact C-N 3.35Å; F147-A153 HydrophobicContact CB-CB 4.06Å; F147-A153 HydrophobicContact CD1-CB 3.91Å; F147-A153 HydrophobicContact CD2-CB 3.84Å; F147-A153 HydrophobicContact CE1-CB 4.29Å; F147-A153 HydrophobicContact CE2-CB 4.22Å; F147-A153 HydrophobicContact CG-CB 3.66Å; F147-A153 HydrophobicContact CZ-CB 4.43Å; F147-W156 HydrophobicContact CD1-CB 4.48Å; F147-W156 HydrophobicContact CE1-CB 3.82Å; F147-W156 AromaticContact CE1-CD2 3.85Å; F147-W156 HydrophobicContact CE1-CD2 3.85Å; F147-W156 AromaticContact CE1-CE3 3.99Å; F147-W156 HydrophobicContact CE1-CE3 3.99Å; F147-W156 AromaticContact CE1-CG 3.77Å; F147-W156 HydrophobicContact CE1-CG 3.77Å; F147-W156 HydrophobicContact CZ-CD2 4.06Å; F147-W156 AromaticContact CZ-CE3 3.84Å; F147-W156 HydrophobicContact CZ-CE3 3.84Å; F147-W156 HydrophobicContact CZ-CG 4.46Å; F147-W156 HydrophobicContact CZ-CZ3 4.41Å; F147-V177 HydrophobicContact CD2-CG1 4.06Å; F147-V177 HydrophobicContact CE2-CG1 4.05Å; F147-Y228 PolarHBondContact N-O 2.91Å; F147-Y228 PolarHBondContact O-N 3.37Å; F147-W230 AromaticContact CE2-CE2 3.93Å; F147-W230 HydrophobicContact CE2-CH2 4.29Å; F147-W230 AromaticContact CE2-CZ2 3.8Å; F147-W230 HydrophobicContact CE2-CZ2 3.8Å; F147-W230 HydrophobicContact CZ-CH2 4.18Å; F147-W230 AromaticContact CZ-CZ2 3.67Å; F147-W230 HydrophobicContact CZ-CZ2 3.67Å
148K96.2Very high95.1Very high152 Ų15269.2 Ų69.266%0.66134%0.338SS*.SBendtrans-70.7-31.6179.5-64.4-177.3177-173.20112.7F227K148-F227 HydrophobicContact CG-CE1 4.42Å
149S96.4Very high95.4Very high28 Ų2871.7 Ų71.720%0.19634%0.344CS..SBendtrans-151170.7175.984.50000110.7F147 E151 N152 A153F147-S149 VanDerWaalsContact C-N 3.35Å; S149-E151 VanDerWaalsContact C-N 3.28Å; S149-E151 WeakPolarHBondContact CB-OE2 3.37Å; S149-E151 PolarHBondContact O-N 3.34Å; S149-E151 PolarHBondContact OG-N 3.18Å; S149-E151 PolarHBondContact OG-OE2 2.94Å; S149-N152 PolarHBondContact O-N 3.03Å; S149-N152 PolarHBondContact OG-N 3.31Å; S149-A153 PolarHBondContact O-N 3.14Å
150L96.8Very high95.7Very high41 Ų4169.7 Ų69.722%0.21534%0.342CS..Hα-helixtrans-63.4-38.2173.417859.1000111.1N152 A153 I154 V177 Y228L150-N152 VanDerWaalsContact C-N 3.32Å; L150-N152 PolarHBondContact O-N 3.11Å; L150-A153 WeakPolarHBondContact O-CB 3.42Å; L150-A153 PolarHBondContact O-N 3.32Å; L150-A153 VanDerWaalsContact O-N 3.09Å; L150-I154 HydrophobicContact CD1-CD1 4.42Å; L150-I154 HydrophobicContact CD1-CG1 4.5Å; L150-I154 HydrophobicContact CG-CD1 3.98Å; L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.06Å; L150-V177 HydrophobicContact CD1-CG2 3.75Å; L150-Y228 HydrophobicContact CB-CE1 4.22Å; L150-Y228 HydrophobicContact CB-CE2 4.42Å
151E97.7Very high95.7Very high124 Ų12470.4 Ų70.458%0.57935%0.354SS*.Hα-helixtrans-61.1-40.7177.7-60.669.9-152.700111.2S149 A153 I154 E155S149-E151 VanDerWaalsContact C-N 3.28Å; S149-E151 WeakPolarHBondContact CB-OE2 3.37Å; S149-E151 PolarHBondContact O-N 3.34Å; S149-E151 PolarHBondContact OG-N 3.18Å; S149-E151 PolarHBondContact OG-OE2 2.94Å; E151-A153 VanDerWaalsContact C-N 3.34Å; E151-A153 PolarHBondContact O-N 2.67Å; E151-I154 PolarHBondContact O-N 3.44Å; E151-E155 WeakPolarHBondContact O-CB 3.18Å; E151-E155 PolarHBondContact O-N 3.34Å
152N97.4Very high95.9Very high64 Ų6463.3 Ų63.334%0.34233%0.328SS..Hα-helixtrans-68-32.8174.5-69.5134.1000112.8S149 L150 E155 W156S149-N152 PolarHBondContact O-N 3.03Å; S149-N152 PolarHBondContact OG-N 3.31Å; L150-N152 VanDerWaalsContact C-N 3.32Å; L150-N152 PolarHBondContact O-N 3.11Å; N152-E155 PolarHBondContact ND2-OE2 2.93Å; N152-W156 VanDerWaalsContact O-CB 3.3Å; N152-W156 WeakPolarHBondContact O-CB 3.48Å; N152-W156 PolarHBondContact O-N 3.5Å
153A97.8Very high96.1Very high0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-66.1-43.1173.400000111.3F147 S149 L150 E151 W156 S157 M173 V177F147-A153 HydrophobicContact CB-CB 4.06Å; F147-A153 HydrophobicContact CD1-CB 3.91Å; F147-A153 HydrophobicContact CD2-CB 3.84Å; F147-A153 HydrophobicContact CE1-CB 4.29Å; F147-A153 HydrophobicContact CE2-CB 4.22Å; F147-A153 HydrophobicContact CG-CB 3.66Å; F147-A153 HydrophobicContact CZ-CB 4.43Å; S149-A153 PolarHBondContact O-N 3.14Å; L150-A153 WeakPolarHBondContact O-CB 3.42Å; L150-A153 PolarHBondContact O-N 3.32Å; L150-A153 VanDerWaalsContact O-N 3.09Å; E151-A153 VanDerWaalsContact C-N 3.34Å; E151-A153 PolarHBondContact O-N 2.67Å; A153-W156 PolarHBondContact O-N 3.09Å; A153-S157 PolarHBondContact O-N 3.42Å; A153-M173 HydrophobicContact CB-CE 3.98Å; A153-V177 HydrophobicContact CB-CG1 4.22Å
154I98.3Very high96.1Very high25 Ų2564.6 Ų64.613%0.12832%0.319CS..Hα-helixtrans-60.6-47.3173.8-66.2161.4000110.8L150 E151 W156 S157 V158 A169 R170 M173L150-I154 HydrophobicContact CD1-CD1 4.42Å; L150-I154 HydrophobicContact CD1-CG1 4.5Å; L150-I154 HydrophobicContact CG-CD1 3.98Å; L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.06Å; E151-I154 PolarHBondContact O-N 3.44Å; I154-W156 VanDerWaalsContact C-N 3.35Å; I154-W156 PolarHBondContact O-N 2.72Å; I154-S157 PolarHBondContact O-N 3.22Å; I154-S157 PolarHBondContact O-OG 3.21Å; I154-V158 PolarHBondContact O-N 3.5Å; I154-A169 HydrophobicContact CG2-CB 4.26Å; I154-R170 HydrophobicContact CG2-CG 3.97Å; I154-M173 HydrophobicContact CG1-CB 3.75Å; I154-M173 HydrophobicContact CG1-CG 4.2Å
155E98Very high96.1Very high89 Ų8964.1 Ų64.142%0.41631%0.314SS..Hα-helixtrans-61.6-44.4179.1-174.2-174.2-177.100111.6E151 N152 V158 K159E151-E155 WeakPolarHBondContact O-CB 3.18Å; E151-E155 PolarHBondContact O-N 3.34Å; N152-E155 PolarHBondContact ND2-OE2 2.93Å; E155-V158 PolarHBondContact O-N 3.24Å; E155-K159 HydrophobicContact CG-CD 4.03Å; E155-K159 WeakPolarHBondContact O-CB 3.45Å; E155-K159 WeakPolarHBondContact O-CG 3.29Å; E155-K159 PolarHBondContact O-N 3.01Å; E155-K159 WeakPolarHBondContact OE1-CE 3.21Å; E155-K159 IonicContact OE1-NZ 3.26Å; E155-K159 PolarHBondContact OE1-NZ 2.9Å
156W97.4Very high96.3Very high58 Ų5859.6 Ų59.622%0.2230%0.298CS..Hα-helixtrans-64.2-40.8177.9173.787.4000112.2R143 P144 F147 N152 A153 I154 V158 K159 S160 W230R143-W156 HydrophobicContact CB-CH2 4.4Å; R143-W156 HydrophobicContact CB-CZ2 4.31Å; R143-W156 HydrophobicContact CG-CH2 3.97Å; R143-W156 HydrophobicContact CG-CZ2 4.12Å; P144-W156 VanDerWaalsContact CD-CZ2 3.45Å; P144-W156 HydrophobicContact CG-CD2 4.24Å; P144-W156 HydrophobicContact CG-CG 4.26Å; P144-W156 HydrophobicContact CG-CZ2 4.33Å; F147-W156 HydrophobicContact CD1-CB 4.48Å; F147-W156 HydrophobicContact CE1-CB 3.82Å; F147-W156 AromaticContact CE1-CD2 3.85Å; F147-W156 HydrophobicContact CE1-CD2 3.85Å; F147-W156 AromaticContact CE1-CE3 3.99Å; F147-W156 HydrophobicContact CE1-CE3 3.99Å; F147-W156 AromaticContact CE1-CG 3.77Å; F147-W156 HydrophobicContact CE1-CG 3.77Å; F147-W156 HydrophobicContact CZ-CD2 4.06Å; F147-W156 AromaticContact CZ-CE3 3.84Å; F147-W156 HydrophobicContact CZ-CE3 3.84Å; F147-W156 HydrophobicContact CZ-CG 4.46Å; F147-W156 HydrophobicContact CZ-CZ3 4.41Å; N152-W156 VanDerWaalsContact O-CB 3.3Å; N152-W156 WeakPolarHBondContact O-CB 3.48Å; N152-W156 PolarHBondContact O-N 3.5Å; A153-W156 PolarHBondContact O-N 3.09Å; I154-W156 VanDerWaalsContact C-N 3.35Å; I154-W156 PolarHBondContact O-N 2.72Å; W156-V158 VanDerWaalsContact C-N 3.28Å; W156-V158 PolarHBondContact O-N 3.23Å; W156-K159 PolarHBondContact O-N 3.2Å; W156-S160 VanDerWaalsContact O-CB 3.22Å; W156-S160 WeakPolarHBondContact O-CB 3.42Å; W156-S160 PolarHBondContact O-N 3.37Å; W156-S160 PolarHBondContact O-OG 3.1Å; W156-W230 HydrophobicContact CE3-CH2 4.31Å; W156-W230 HydrophobicContact CE3-CZ2 4.46Å; W156-W230 AromaticContact CH2-CH2 4Å; W156-W230 HydrophobicContact CH2-CH2 4Å; W156-W230 AromaticContact CH2-CZ2 3.92Å; W156-W230 HydrophobicContact CH2-CZ2 3.92Å; W156-W230 AromaticContact CZ3-CH2 3.53Å; W156-W230 HydrophobicContact CZ3-CH2 3.53Å; W156-W230 AromaticContact CZ3-CZ2 3.79Å; W156-W230 HydrophobicContact CZ3-CZ2 3.79Å
157S96.7Very high96.3Very high0 Ų061.8 Ų61.80%030%0.302CS..Hα-helixtrans-64.5-35.1-178.170.80000112.1A153 I154 S160 Q162 I163 M173A153-S157 PolarHBondContact O-N 3.42Å; I154-S157 PolarHBondContact O-N 3.22Å; I154-S157 PolarHBondContact O-OG 3.21Å; S157-S160 PolarHBondContact O-OG 2.94Å; S157-Q162 PolarHBondContact O-N 3.37Å; S157-I163 PolarHBondContact O-N 3.35Å; S157-I163 VanDerWaalsContact O-N 3.11Å; S157-M173 WeakPolarHBondContact CB-SD 3.44Å; S157-M173 WeakPolarHBondContact OG-CG 3.35Å
158V96.4Very high96.4Very high45 Ų4561.2 Ų61.227%0.27330%0.3SS..Hα-helixtrans-73.1-49.8174.1-179.80000111.5I154 E155 W156 S160 G161 I163 I166 A169I154-V158 PolarHBondContact O-N 3.5Å; E155-V158 PolarHBondContact O-N 3.24Å; W156-V158 VanDerWaalsContact C-N 3.28Å; W156-V158 PolarHBondContact O-N 3.23Å; V158-S160 VanDerWaalsContact C-N 3.33Å; V158-S160 PolarHBondContact O-N 2.94Å; V158-G161 PolarHBondContact O-N 3.16Å; V158-I163 WeakPolarHBondContact CA-O 3.42Å; V158-I166 HydrophobicContact CG2-CB 4.5Å; V158-I166 HydrophobicContact CG2-CG1 4.43Å; V158-A169 HydrophobicContact CG2-CB 3.61Å
159K96.3Very high96.5Very high158 Ų15854 Ų5469%0.68727%0.269SS*.Hα-helixtrans-65.1-34-177.8-76.2-176.9173.4175.90113.6E155 W156 G161E155-K159 HydrophobicContact CG-CD 4.03Å; E155-K159 WeakPolarHBondContact O-CB 3.45Å; E155-K159 WeakPolarHBondContact O-CG 3.29Å; E155-K159 PolarHBondContact O-N 3.01Å; E155-K159 WeakPolarHBondContact OE1-CE 3.21Å; E155-K159 IonicContact OE1-NZ 3.26Å; E155-K159 PolarHBondContact OE1-NZ 2.9Å; W156-K159 PolarHBondContact O-N 3.2Å; K159-G161 PolarHBondContact O-N 3.17Å
160S93.6Very high96.6Very high58 Ų5860.6 Ų60.641%0.40629%0.289SS..THydrogen-bonded Turntrans-75.1-12.2175.561.60000113.1W156 S157 V158 Q162W156-S160 VanDerWaalsContact O-CB 3.22Å; W156-S160 WeakPolarHBondContact O-CB 3.42Å; W156-S160 PolarHBondContact O-N 3.37Å; W156-S160 PolarHBondContact O-OG 3.1Å; S157-S160 PolarHBondContact O-OG 2.94Å; V158-S160 VanDerWaalsContact C-N 3.33Å; V158-S160 PolarHBondContact O-N 2.94Å; S160-Q162 VanDerWaalsContact C-N 3.29Å
161G91.8Very high96.7Very high32 Ų3261.4 Ų61.433%0.3330%0.296SS..THydrogen-bonded Turntrans76.511.9-175.700000114.3V158 K159 I163V158-G161 PolarHBondContact O-N 3.16Å; K159-G161 PolarHBondContact O-N 3.17Å; G161-I163 VanDerWaalsContact C-N 3.33Å
162Q91.8Very high96.7Very high29 Ų2955.5 Ų55.514%0.13627%0.268CS..SBendtrans-62.9-42173.9-174.7-175.6-45.800111.1S157 S160S157-Q162 PolarHBondContact O-N 3.37Å; S160-Q162 VanDerWaalsContact C-N 3.29Å
163I95.3Very high96.7Very high0 Ų052.4 Ų52.40%025%0.252CS..  trans-129.8117.9174.7-55.4170.5000107.3S157 V158 G161 N165 A169 M173 E296S157-I163 PolarHBondContact O-N 3.35Å; S157-I163 VanDerWaalsContact O-N 3.11Å; V158-I163 WeakPolarHBondContact CA-O 3.42Å; G161-I163 VanDerWaalsContact C-N 3.33Å; I163-N165 WeakPolarHBondContact CG2-O 3.3Å; I163-A169 HydrophobicContact CB-CB 4.19Å; I163-A169 HydrophobicContact CD1-CB 4.25Å; I163-A169 HydrophobicContact CG2-CB 3.92Å; I163-M173 HydrophobicContact CD1-CG 4.11Å; I163-M173 HydrophobicContact CD1-SD 3.87Å; I163-E296 HydrophobicContact CG2-CB 4.14Å
164R95Very high96.7Very high148 Ų14853.7 Ų53.756%0.55827%0.265SS*.  trans-84.7-23.5-175.9-59.4-179.4175.6-147.3-6.5112.4Q289 D297R164-Q289 PolarHBondContact NH1-O 2.99Å; R164-Q289 VanDerWaalsContact NH1-O 3.14Å; R164-D297 HydrophobicContact CB-CB 4.43Å; R164-D297 WeakPolarHBondContact CB-OD1 3.22Å; R164-D297 PolarHBondContact N-OD1 3.01Å
165N97.2Very high96.6Very high31 Ų3152.8 Ų52.817%0.16626%0.262CS..  trans-91.1112.3178.2-177.7-2.3000111.5I163 E167 S168 A169 E296I163-N165 WeakPolarHBondContact CG2-O 3.3Å; N165-E167 VanDerWaalsContact C-N 3.28Å; N165-E167 PolarHBondContact O-N 2.84Å; N165-E167 WeakPolarHBondContact OD1-CB 3.3Å; N165-E167 PolarHBondContact OD1-N 3.47Å; N165-S168 PolarHBondContact O-N 3.25Å; N165-A169 WeakPolarHBondContact O-CB 3.34Å; N165-A169 PolarHBondContact O-N 2.83Å; N165-E296 WeakPolarHBondContact CB-O 3.45Å; N165-E296 PolarHBondContact ND2-O 2.82Å; N165-E296 VanDerWaalsContact ND2-O 3.11Å
166I97.5Very high96.6Very high85 Ų8548.6 Ų48.644%0.43624%0.242SC..Hα-helixtrans-63.8-31.3179.5-167.1167.6000113.3V158 R170V158-I166 HydrophobicContact CG2-CB 4.5Å; V158-I166 HydrophobicContact CG2-CG1 4.43Å; I166-R170 VanDerWaalsContact O-CG 3.27Å; I166-R170 WeakPolarHBondContact O-CG 3.38Å; I166-R170 PolarHBondContact O-N 3.25Å; I166-R170 VanDerWaalsContact O-N 3.1Å
167E98.3Very high96.6Very high118 Ų11845.9 Ų45.955%0.55123%0.232SC*.Hα-helixtrans-65-48.7176.6-173.3-174.8171.100110.2V36 N165 R170V36-E167 HydrophobicContact CG2-CB 4.49Å; V36-E167 HydrophobicContact CG2-CG 4.01Å; N165-E167 VanDerWaalsContact C-N 3.28Å; N165-E167 PolarHBondContact O-N 2.84Å; N165-E167 WeakPolarHBondContact OD1-CB 3.3Å; N165-E167 PolarHBondContact OD1-N 3.47Å; E167-R170 PolarHBondContact O-N 3.49Å
168S98.4Very high96.6Very high1 Ų150.4 Ų50.41%0.00725%0.252CS..Hα-helixtrans-62.3-45.9176.1-162.10000111.3N165 R170 V171 S172 E296N165-S168 PolarHBondContact O-N 3.25Å; S168-R170 VanDerWaalsContact C-N 3.29Å; S168-R170 PolarHBondContact O-N 3.16Å; S168-V171 WeakPolarHBondContact O-CG1 3.42Å; S168-V171 PolarHBondContact O-N 2.99Å; S168-V171 VanDerWaalsContact O-N 3.13Å; S168-S172 WeakPolarHBondContact O-CB 3.34Å; S168-S172 PolarHBondContact O-N 3.47Å; S168-S172 PolarHBondContact O-OG 3.22Å; S168-E296 WeakPolarHBondContact OG-CB 3.45Å; S168-E296 WeakPolarHBondContact OG-CG 3.47Å; S168-E296 PolarHBondContact OG-OE2 3Å
169A98.3Very high96.5Very high0 Ų054.4 Ų54.40%027%0.265CS..Hα-helixtrans-57.5-40.6-179.900000112.7I154 V158 I163 N165 V171 M173I154-A169 HydrophobicContact CG2-CB 4.26Å; V158-A169 HydrophobicContact CG2-CB 3.61Å; I163-A169 HydrophobicContact CB-CB 4.19Å; I163-A169 HydrophobicContact CD1-CB 4.25Å; I163-A169 HydrophobicContact CG2-CB 3.92Å; N165-A169 WeakPolarHBondContact O-CB 3.34Å; N165-A169 PolarHBondContact O-N 2.83Å; A169-V171 VanDerWaalsContact C-N 3.28Å; A169-V171 PolarHBondContact O-N 3.4Å; A169-M173 VanDerWaalsContact O-CB 3.26Å; A169-M173 WeakPolarHBondContact O-CB 3.31Å; A169-M173 VanDerWaalsContact O-CG 3.27Å; A169-M173 WeakPolarHBondContact O-CG 3.38Å; A169-M173 PolarHBondContact O-N 2.75Å; A169-M173 VanDerWaalsContact O-N 3.17Å
170R98.4Very high96.3Very high166 Ų16649.7 Ų49.763%0.62625%0.251SS*.Hα-helixtrans-62.5-32.1-180-79.4171.3172.9169.8-0.6113.4I154 I166 E167 S168I154-R170 HydrophobicContact CG2-CG 3.97Å; I166-R170 VanDerWaalsContact O-CG 3.27Å; I166-R170 WeakPolarHBondContact O-CG 3.38Å; I166-R170 PolarHBondContact O-N 3.25Å; I166-R170 VanDerWaalsContact O-N 3.1Å; E167-R170 PolarHBondContact O-N 3.49Å; S168-R170 VanDerWaalsContact C-N 3.29Å; S168-R170 PolarHBondContact O-N 3.16Å
171V98.3Very high95.5Very high58 Ų5855.6 Ų55.635%0.35227%0.273SS..Hα-helixtrans-94-40179.260.80000112.3A35 V36 S168 A169A35-V171 HydrophobicContact CB-CB 4.33Å; A35-V171 HydrophobicContact CB-CG1 3.65Å; A35-V171 HydrophobicContact CB-CG2 3.68Å; V36-V171 HydrophobicContact CG2-CG1 4.35Å; S168-V171 WeakPolarHBondContact O-CG1 3.42Å; S168-V171 PolarHBondContact O-N 2.99Å; S168-V171 VanDerWaalsContact O-N 3.13Å; A169-V171 VanDerWaalsContact C-N 3.28Å; A169-V171 PolarHBondContact O-N 3.4Å
172S98.3Very high93.7Very high0 Ų060.3 Ų60.30%029%0.286CS..Hα-helixtrans-80.6-33.3-170.372.80000113.5S168 G174 G175 E296S168-S172 WeakPolarHBondContact O-CB 3.34Å; S168-S172 PolarHBondContact O-N 3.47Å; S168-S172 PolarHBondContact O-OG 3.22Å; S172-G174 VanDerWaalsContact C-N 3.26Å; S172-G174 PolarHBondContact O-N 3.07Å; S172-G175 PolarHBondContact O-N 3.42Å; S172-E296 VanDerWaalsContact CB-OE2 3.24Å; S172-E296 WeakPolarHBondContact CB-OE2 3.13Å; S172-E296 PolarHBondContact OG-OE2 2.78Å
173M98.1Very high91.3Very high0 Ų064.1 Ų64.10%032%0.316CS..Hα-helixtrans-62.5-30.7-174.1-79.5-60.3-59.900113.7A153 I154 S157 I163 A169 G175 Q176 V177 W230A153-M173 HydrophobicContact CB-CE 3.98Å; I154-M173 HydrophobicContact CG1-CB 3.75Å; I154-M173 HydrophobicContact CG1-CG 4.2Å; S157-M173 WeakPolarHBondContact CB-SD 3.44Å; S157-M173 WeakPolarHBondContact OG-CG 3.35Å; I163-M173 HydrophobicContact CD1-CG 4.11Å; I163-M173 HydrophobicContact CD1-SD 3.87Å; A169-M173 VanDerWaalsContact O-CB 3.26Å; A169-M173 WeakPolarHBondContact O-CB 3.31Å; A169-M173 VanDerWaalsContact O-CG 3.27Å; A169-M173 WeakPolarHBondContact O-CG 3.38Å; A169-M173 PolarHBondContact O-N 2.75Å; A169-M173 VanDerWaalsContact O-N 3.17Å; M173-G175 PolarHBondContact O-N 3.32Å; M173-G175 VanDerWaalsContact O-N 3.16Å; M173-Q176 HydrophobicContact CE-CB 4.49Å; M173-Q176 PolarHBondContact O-N 3.43Å; M173-Q176 HydrophobicContact SD-CB 4.43Å; M173-Q176 HydrophobicContact SD-CG 4.38Å; M173-V177 HydrophobicContact CE-CG1 4.34Å; M173-V177 WeakPolarHBondContact O-CG2 3.41Å; M173-V177 PolarHBondContact O-N 3.13Å; M173-W230 HydrophobicContact CE-CZ3 4.45Å
174G97.2Very high88.6Confident27 Ų2768.6 Ų68.628%0.27835%0.353SS..Hα-helixtrans-58.6-27.6175.500000113.5S172 V177S172-G174 VanDerWaalsContact C-N 3.26Å; S172-G174 PolarHBondContact O-N 3.07Å; G174-V177 VanDerWaalsContact O-O 3.08Å
175G97.3Very high85.6Confident5 Ų568.5 Ų68.55%0.05236%0.364CS..Hα-helixtrans-81.7-18.5174.600000114.6S30 S172 M173 R231S30-G175 WeakPolarHBondContact OG-CA 3.47Å; S172-G175 PolarHBondContact O-N 3.42Å; M173-G175 PolarHBondContact O-N 3.32Å; M173-G175 VanDerWaalsContact O-N 3.16Å; G175-R231 VanDerWaalsContact O-CD 3.26Å; G175-R231 WeakPolarHBondContact O-CD 3.45Å; G175-R231 PolarHBondContact O-NE 3.04Å
176Q97.8Very high82.4Confident2 Ų274.8 Ų74.81%0.00940%0.397CS..Hα-helixtrans-91.1-21.1-178.6-52.6-167.321.800113M173 W230 R231M173-Q176 HydrophobicContact CE-CB 4.49Å; M173-Q176 PolarHBondContact O-N 3.43Å; M173-Q176 HydrophobicContact SD-CB 4.43Å; M173-Q176 HydrophobicContact SD-CG 4.38Å; Q176-W230 HydrophobicContact CB-CZ3 4.3Å; Q176-R231 VanDerWaalsContact O-CB 3.31Å; Q176-R231 WeakPolarHBondContact O-CB 3.47Å; Q176-R231 PolarHBondContact O-N 3.25Å
177V97.7Very high79.5Confident1 Ų176.2 Ų76.21%0.00641%0.412CS..EExtended strand (participates in β ladder)trans-115.1162.4177-610000111.7F147 L150 A153 M173 G174 Y228 T229 W230 R231F147-V177 HydrophobicContact CD2-CG1 4.06Å; F147-V177 HydrophobicContact CE2-CG1 4.05Å; L150-V177 HydrophobicContact CD1-CG2 3.75Å; A153-V177 HydrophobicContact CB-CG1 4.22Å; M173-V177 HydrophobicContact CE-CG1 4.34Å; M173-V177 WeakPolarHBondContact O-CG2 3.41Å; M173-V177 PolarHBondContact O-N 3.13Å; G174-V177 VanDerWaalsContact O-O 3.08Å; V177-Y228 HydrophobicContact CB-CD1 4.19Å; V177-Y228 HydrophobicContact CG2-CD1 3.63Å; V177-Y228 HydrophobicContact CG2-CE1 4.34Å; V177-Y228 HydrophobicContact CG2-CG 4.39Å; V177-T229 CarbonylContact C-O 3.58Å; V177-T229 VanDerWaalsContact CA-O 3.22Å; V177-T229 WeakPolarHBondContact CA-O 3.4Å; V177-T229 WeakPolarHBondContact CB-O 3.37Å; V177-W230 HydrophobicContact CG1-CE3 4.43Å; V177-R231 PolarHBondContact O-NE 3.32Å; V177-R231 PolarHBondContact O-NH2 3.03Å
178K95.9Very high76.4Confident95 Ų9575.9 Ų75.941%0.41342%0.423SS..EExtended strand (participates in β ladder)trans-139.1153.4171.864.8-178.1177.1-172.20109.7Y228 T229K178-Y228 CarbonylContact O-C 3.5Å; K178-Y228 VanDerWaalsContact O-CA 3.27Å; K178-Y228 WeakPolarHBondContact O-CA 3.38Å; K178-T229 HydrophobicContact CG-CG2 3.91Å; K178-T229 PolarHBondContact N-O 3.45Å; K178-T229 PolarHBondContact O-N 3.26Å
179K94.8Very high73.3Confident129 Ų12982 Ų8256%0.56146%0.46SS*.EExtended strand (participates in β ladder)trans-64138.8171.5-67.6-175.7178.4-174.90109.2E181 F227 Y228K179-E181 PolarHBondContact O-N 2.87Å; K179-F227 WeakPolarHBondContact CA-O 3.12Å; K179-Y228 WeakPolarHBondContact CE-OH 3.23Å; K179-Y228 HydrophobicContact CG-CD1 4.28Å; K179-Y228 HydrophobicContact CG-CE1 3.77Å; K179-Y228 HydrophobicContact CG-CE2 4.24Å
180C90.6Very high70.1Confident58 Ų5886.9 Ų86.939%0.39249%0.494SS..PPolyproline II helixtrans-65.3124.3169.9-66.10000108.4F227C180-F227 PolarHBondContact N-O 3.1Å
181E77.4Confident66.8Low183 Ų18386 Ų8686%0.85550%0.502SS*.PPolyproline II helixtrans-71.8133.5171-66.5-175.217400108.6K179 S183K179-E181 PolarHBondContact O-N 2.87Å; E181-S183 PolarHBondContact O-N 2.91Å
182E55Low63.6Low130 Ų13088.8 Ų88.861%0.60752%0.524SS*.PPolyproline II helixtrans-60.3120.8171.6-75.5169.9-153.300108.5A184 K224E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.92Å; E182-K224 WeakPolarHBondContact OE1-CD 3.37Å; E182-K224 WeakPolarHBondContact OE1-CE 3.25Å; E182-K224 IonicContact OE1-NZ 3.96Å; E182-K224 PolarHBondContact OE1-NZ 2.92Å; E182-K224 WeakPolarHBondContact OE2-CE 3.23Å; E182-K224 IonicContact OE2-NZ 2.73Å; E182-K224 PolarHBondContact OE2-NZ 3.26Å
183S41.6Very low60.4Low109 Ų10995.8 Ų95.876%0.76256%0.56SS**  trans-63.8102.6166.1-57.90000107.2E181 N185E181-S183 PolarHBondContact O-N 2.91Å; S183-N185 PolarHBondContact O-N 3.4Å
184A37.9Very low57.2Low95 Ų9599.5 Ų99.579%0.78560%0.598SS**SBendtrans-68.974.1161.800000108E182E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.92Å
185N32.4Very low54Low145 Ų145107 Ų10778%0.77563%0.626SS**  trans-170.185.1167.8-91.5-21.2000108.7S183 P187S183-N185 PolarHBondContact O-N 3.4Å; N185-P187 WeakPolarHBondContact O-CD 3.47Å
186N29.9Very low50.7Low163 Ų163110.1 Ų110.187%0.87266%0.658SS**  trans-85.3114.7156.9-96.8-9.3000107.5
187P36.4Very low47.5Very low115 Ų115117.6 Ų117.675%0.74770%0.696SS**  trans-74.4125.5150.824.5-13.7000107.1N185 V189N185-P187 WeakPolarHBondContact O-CD 3.47Å; P187-V189 PolarHBondContact O-N 3.19Å
188S32.6Very low44.4Very low112 Ų112125.1 Ų125.178%0.78374%0.735SS**  trans-45.5124.7177.646.10000112.5S190S188-S190 PolarHBondContact O-N 3.21Å
189V33.4Very low41.2Very low130 Ų130128.6 Ų128.679%0.78875%0.752SS**  trans-61.6117.7161.7179.70000107.3P187 N191P187-V189 PolarHBondContact O-N 3.19Å; V189-N191 PolarHBondContact O-N 3.45Å
190S31Very low38.2Very low101 Ų101131.7 Ų131.771%0.70677%0.769SS**  trans-71.1103.3173.727.60000109.5S188 S192S188-S190 PolarHBondContact O-N 3.21Å; S190-S192 PolarHBondContact O-N 3.07Å; S190-S192 VanDerWaalsContact O-N 3.09Å
191N29.9Very low35.3Very low148 Ų148138.2 Ų138.279%0.79179%0.794SS**  trans-64.2107167.6-80.2-12.3000109.1V189 I193V189-N191 PolarHBondContact O-N 3.45Å; N191-I193 PolarHBondContact O-N 3.48Å
192S29.6Very low33Very low116 Ų116138.6 Ų138.681%0.81180%0.795SS**  trans-86.3101.5166.8-50.90000107.2S190 G194S190-S192 PolarHBondContact O-N 3.07Å; S190-S192 VanDerWaalsContact O-N 3.09Å; S192-G194 PolarHBondContact O-N 3.42Å
193I32.7Very low31.9Very low148 Ų148142 Ų14276%0.75981%0.811SS**  trans-72.8117.1172.5-64.3167.9000107.4N191 E195N191-I193 PolarHBondContact O-N 3.48Å; I193-E195 HydrophobicContact CG2-CG 4.38Å
194G29.2Very low31.3Very low78 Ų78146.4 Ų146.480%0.80482%0.82SS**  trans-126.788.1163.300000107.6S192S192-G194 PolarHBondContact O-N 3.42Å
195E30.7Very low30.9Very low185 Ų185145.6 Ų145.686%0.86482%0.821SS**PPolyproline II helixtrans-91.2120.9172.1-83.7-177.2160.500109.6I193I193-E195 HydrophobicContact CG2-CG 4.38Å
196G28.9Very low30.6Very low70 Ų70142.3 Ų142.372%0.72282%0.821SS**PPolyproline II helixtrans-83.1148.3169.600000111.4
197I30.4Very low30.6Very low159 Ų159139.6 Ų139.682%0.81582%0.822SS**PPolyproline II helixtrans-55.2132.7179-61.8158.5000111.8
198I32.3Very low30.4Very low159 Ų159143.3 Ų143.382%0.81583%0.829SS**  trans-137.1114.9155.2-58.6-179.3000107.5
199E28.9Very low30.3Very low168 Ų168147 Ų14779%0.78583%0.834SS**  trans-74.9141.8162.8-66.2173.8154.900108.5
200E30.9Very low30.2Very low194 Ų194146.4 Ų146.491%0.90784%0.835SS**  trans-167.1152.7144.7-108.2168.9-148.500111.6
201E30.7Very low30.2Very low195 Ų195149 Ų14991%0.91184%0.841SS**  trans-82.6170-153.9-64.4174.2147.300115.6
202E29.2Very low30.5Very low190 Ų190152.4 Ų152.489%0.88885%0.849SS**  trans-62.6145.3177.8-58.2176.315500113.7
203E31.8Very low30.6Very low201 Ų201156.2 Ų156.294%0.93985%0.851SS**  trans-158135.4136.7-114.5-179.3-166.200111.8
204E28.8Very low30.6Very low202 Ų202161 Ų16194%0.94486%0.86SS**  trans-76.7153-179.2-68.1-175.2141.200113.3
205G28.7Very low30.7Very low78 Ų78165.8 Ų165.880%0.80486%0.863SS**  trans146.8110.8146.100000117.4
206G26.8Very low30.8Very low77 Ų77166.5 Ų166.579%0.79486%0.863SS**  93.1104.1126.700000120.2
207A30.1Very low31Very low106 Ų106171.8 Ų171.888%0.87687%0.869SS**  trans70.5127.3135.500000121.2
208E32Very low31.1Very low193 Ų193170.9 Ų170.990%0.90287%0.866SS**  trans-55.2134.7172.2-60.2172144.700113.4
209E30.7Very low31.4Very low190 Ų190170.7 Ų170.789%0.88887%0.867SS**  trans-158129.4135.6-120.1177-172.400111.7
210S31.6Very low32Very low117 Ų117170.5 Ų170.582%0.81887%0.866SS**  trans-83.5113.8-172.352.10000111.2
211N31.2Very low32.5Very low155 Ų155169.6 Ų169.683%0.82986%0.861SS**  trans-122101169.3-99.4-40.2000110.5K213N211-K213 PolarHBondContact O-N 3.34Å
212K35.3Very low33.2Very low219 Ų219166.8 Ų166.895%0.95286%0.857SS**  trans-63.496.1170.4-84.6175.3174.4169.70110
213K32.7Very low34.1Very low197 Ų197166.6 Ų166.686%0.85785%0.854SS**  trans-92.8107.8160.5-118.3176.4-179.5175.80108.3N211 M215N211-K213 PolarHBondContact O-N 3.34Å; K213-M215 PolarHBondContact O-N 2.87Å; K213-M215 VanDerWaalsContact O-N 3.12Å
214R31.6Very low35.2Very low249 Ų249163.6 Ų163.694%0.9484%0.838SS**  trans-58.9110.2168-82.3175.1168.2169.7-4.5108.5
215M31.3Very low36.9Very low177 Ų177160.9 Ų160.987%0.87283%0.825SS**  trans-68125.9161.5-71.1179.872.700107.5K213 E217K213-M215 PolarHBondContact O-N 2.87Å; K213-M215 VanDerWaalsContact O-N 3.12Å; M215-E217 PolarHBondContact O-N 3.26Å
216K33.2Very low39Very low200 Ų200160.3 Ų160.387%0.8781%0.809SS**  trans-71.5113.4161.3-81.2179.8171.5-177.90106D218K216-D218 PolarHBondContact O-N 3.04Å
217E33.4Very low42.1Very low182 Ų182160.3 Ų160.385%0.8579%0.787SS**  trans-67.6111.3161.6-74.2171.9157.600106.7M215 D219M215-E217 PolarHBondContact O-N 3.26Å; E217-D219 PolarHBondContact O-N 3.39Å
218D32.7Very low45.2Very low139 Ų139157.3 Ų157.374%0.74375%0.753SS**  trans-71101.9163.4-101.7-14.1000106.6K216 Q220K216-D218 PolarHBondContact O-N 3.04Å; D218-Q220 PolarHBondContact O-N 2.99Å
219D37.4Very low48.3Very low156 Ų156150 Ų15083%0.83472%0.722SS**  trans-64.482.5162.1-89.3-27.7000108.4E217 E221E217-D219 PolarHBondContact O-N 3.39Å; D219-E221 PolarHBondContact O-N 2.7Å
220Q41.1Very low51.5Low163 Ų163142 Ų14276%0.76268%0.684SS**  trans-72.587160.9-74.2-172.25.300107.9D218 V222D218-Q220 PolarHBondContact O-N 2.99Å; Q220-V222 PolarHBondContact O-N 2.79Å
221E41.7Very low54.5Low175 Ų175139 Ų13982%0.81865%0.654SS**  trans-53.8102.9159-86-172.1152.100108.1D219 K223D219-E221 PolarHBondContact O-N 2.7Å; E221-K223 VanDerWaalsContact C-N 3.3Å; E221-K223 PolarHBondContact O-N 2.99Å
222V45.4Very low57.5Low136 Ų136132.3 Ų132.382%0.82462%0.619SS**  trans-61.596.8168.6179.50000106.7Q220 K224Q220-V222 PolarHBondContact O-N 2.79Å; V222-K224 PolarHBondContact O-N 3.2Å
223K48.3Very low60.1Low186 Ų186127.1 Ų127.181%0.80960%0.598SS**  trans-57.4104.2172.3-85.6-175.9178.11760108E221 E225E221-K223 VanDerWaalsContact C-N 3.3Å; E221-K223 PolarHBondContact O-N 2.99Å; K223-E225 PolarHBondContact O-N 3Å
224K56.3Low63Low139 Ų139118 Ų11860%0.60456%0.559SS**  trans-63.6101.1178.6-149.3177.2-162.4-171.30108.8E182 V222 S226E182-K224 WeakPolarHBondContact OE1-CD 3.37Å; E182-K224 WeakPolarHBondContact OE1-CE 3.25Å; E182-K224 IonicContact OE1-NZ 3.96Å; E182-K224 PolarHBondContact OE1-NZ 2.92Å; E182-K224 WeakPolarHBondContact OE2-CE 3.23Å; E182-K224 IonicContact OE2-NZ 2.73Å; E182-K224 PolarHBondContact OE2-NZ 3.26Å; V222-K224 PolarHBondContact O-N 3.2Å; K224-S226 PolarHBondContact O-N 3.43Å
225E63.7Low65.9Low144 Ų144108.2 Ų108.267%0.67353%0.528SS*.  trans-66.7108.1179.4-73.4-167.5161.900109.7K223 F227K223-E225 PolarHBondContact O-N 3Å; E225-F227 HydrophobicContact CB-CE2 3.92Å; E225-F227 HydrophobicContact CB-CZ 3.97Å; E225-F227 WeakPolarHBondContact O-CD2 3.31Å; E225-F227 WeakPolarHBondContact O-CE2 3.4Å; E225-F227 WeakPolarHBondContact OE2-CZ 3.36Å
226S71.8Confident68.8Low67 Ų67105.4 Ų105.447%0.46951%0.511SS..  trans-87.2111.9177-58.20000109.5K224K224-S226 PolarHBondContact O-N 3.43Å
227F92Very high71.8Confident76 Ų7696.1 Ų96.133%0.33347%0.471SS..  trans-87.6155.9177.3-62.3-83.7000112.2K148 K179 C180 E225K148-F227 HydrophobicContact CG-CE1 4.42Å; K179-F227 WeakPolarHBondContact CA-O 3.12Å; C180-F227 PolarHBondContact N-O 3.1Å; E225-F227 HydrophobicContact CB-CE2 3.92Å; E225-F227 HydrophobicContact CB-CZ 3.97Å; E225-F227 WeakPolarHBondContact O-CD2 3.31Å; E225-F227 WeakPolarHBondContact O-CE2 3.4Å; E225-F227 WeakPolarHBondContact OE2-CZ 3.36Å
228Y96.8Very high74.7Confident43 Ų4391.6 Ų91.617%0.16945%0.45CS..EExtended strand (participates in β ladder)trans-109.5146.6170.7-73.6-104.8000110.2T146 F147 L150 V177 K178 K179T146-Y228 CarbonylContact C-O 3.53Å; T146-Y228 WeakPolarHBondContact CA-O 3.34Å; T146-Y228 WeakPolarHBondContact CB-O 3.45Å; F147-Y228 PolarHBondContact N-O 2.91Å; F147-Y228 PolarHBondContact O-N 3.37Å; L150-Y228 HydrophobicContact CB-CE1 4.22Å; L150-Y228 HydrophobicContact CB-CE2 4.42Å; V177-Y228 HydrophobicContact CB-CD1 4.19Å; V177-Y228 HydrophobicContact CG2-CD1 3.63Å; V177-Y228 HydrophobicContact CG2-CE1 4.34Å; V177-Y228 HydrophobicContact CG2-CG 4.39Å; K178-Y228 CarbonylContact O-C 3.5Å; K178-Y228 VanDerWaalsContact O-CA 3.27Å; K178-Y228 WeakPolarHBondContact O-CA 3.38Å; K179-Y228 WeakPolarHBondContact CE-OH 3.23Å; K179-Y228 HydrophobicContact CG-CD1 4.28Å; K179-Y228 HydrophobicContact CG-CE1 3.77Å; K179-Y228 HydrophobicContact CG-CE2 4.24Å
229T97.1Very high77.7Confident40 Ų4091.3 Ų91.325%0.24544%0.442CS..EExtended strand (participates in β ladder)trans-131.2165.7172.6-172.60000110.1K145 V177 K178 R231K145-T229 PolarHBondContact O-OG1 3.22Å; V177-T229 CarbonylContact C-O 3.58Å; V177-T229 VanDerWaalsContact CA-O 3.22Å; V177-T229 WeakPolarHBondContact CA-O 3.4Å; V177-T229 WeakPolarHBondContact CB-O 3.37Å; K178-T229 HydrophobicContact CG-CG2 3.91Å; K178-T229 PolarHBondContact N-O 3.45Å; K178-T229 PolarHBondContact O-N 3.26Å; T229-R231 PolarHBondContact O-N 3.16Å
230W96.9Very high80.6Confident22 Ų2286 Ų868%0.08341%0.411CS..EExtended strand (participates in β ladder)trans-57.8133.8173.8-65.5103.2000110.6R143 P144 F147 W156 M173 Q176 V177 V232R143-W230 HydrophobicContact CB-CZ2 4.03Å; R143-W230 HydrophobicContact CG-CZ2 4.35Å; P144-W230 PolarHBondContact O-NE1 2.76Å; F147-W230 AromaticContact CE2-CE2 3.93Å; F147-W230 HydrophobicContact CE2-CH2 4.29Å; F147-W230 AromaticContact CE2-CZ2 3.8Å; F147-W230 HydrophobicContact CE2-CZ2 3.8Å; F147-W230 HydrophobicContact CZ-CH2 4.18Å; F147-W230 AromaticContact CZ-CZ2 3.67Å; F147-W230 HydrophobicContact CZ-CZ2 3.67Å; W156-W230 HydrophobicContact CE3-CH2 4.31Å; W156-W230 HydrophobicContact CE3-CZ2 4.46Å; W156-W230 AromaticContact CH2-CH2 4Å; W156-W230 HydrophobicContact CH2-CH2 4Å; W156-W230 AromaticContact CH2-CZ2 3.92Å; W156-W230 HydrophobicContact CH2-CZ2 3.92Å; W156-W230 AromaticContact CZ3-CH2 3.53Å; W156-W230 HydrophobicContact CZ3-CH2 3.53Å; W156-W230 AromaticContact CZ3-CZ2 3.79Å; W156-W230 HydrophobicContact CZ3-CZ2 3.79Å; M173-W230 HydrophobicContact CE-CZ3 4.45Å; Q176-W230 HydrophobicContact CB-CZ3 4.3Å; V177-W230 HydrophobicContact CG1-CE3 4.43Å; W230-V232 VanDerWaalsContact C-N 3.29Å; W230-V232 PolarHBondContact O-N 3.19Å
231R95.7Very high83.2Confident54 Ų5478.3 Ų78.320%0.20438%0.375CS..SBendtrans-63.9-41.2179.2-175.7164.8-63.6-1120.9111.6G58 D59 G175 Q176 V177 T229G58-R231 WeakPolarHBondContact O-CD 3.29Å; G58-R231 PolarHBondContact O-NH1 3.34Å; D59-R231 IonicContact OD1-CZ 2.86Å; D59-R231 IonicContact OD1-NH1 2.63Å; D59-R231 PolarHBondContact OD1-NH1 3.29Å; D59-R231 IonicContact OD1-NH2 3.52Å; G175-R231 VanDerWaalsContact O-CD 3.26Å; G175-R231 WeakPolarHBondContact O-CD 3.45Å; G175-R231 PolarHBondContact O-NE 3.04Å; Q176-R231 VanDerWaalsContact O-CB 3.31Å; Q176-R231 WeakPolarHBondContact O-CB 3.47Å; Q176-R231 PolarHBondContact O-N 3.25Å; V177-R231 PolarHBondContact O-NE 3.32Å; V177-R231 PolarHBondContact O-NH2 3.03Å; T229-R231 PolarHBondContact O-N 3.16Å
232V92.6Very high85.8Confident14 Ų1473.1 Ų73.19%0.08535%0.353CS..SBendtrans-120125.8-179.8-1730000109.8A56 W230 L234A56-V232 WeakPolarHBondContact O-CG2 3.4Å; W230-V232 VanDerWaalsContact C-N 3.29Å; W230-V232 PolarHBondContact O-N 3.19Å; V232-L234 PolarHBondContact O-N 3.16Å
233E91.2Very high88.3Confident111 Ų11168.6 Ų68.652%0.51933%0.334SS..  trans-77.777166.2-74.4-176-124.700109.6S235 K236E233-S235 PolarHBondContact O-N 3.48Å; E233-K236 HydrophobicContact CB-CD 3.94Å; E233-K236 HydrophobicContact CB-CG 4.17Å; E233-K236 WeakPolarHBondContact O-CB 3.43Å; E233-K236 PolarHBondContact O-N 3.15Å; E233-K236 IonicContact OE1-NZ 2.64Å; E233-K236 PolarHBondContact OE1-NZ 3.33Å; E233-K236 WeakPolarHBondContact OE2-CD 3.29Å; E233-K236 WeakPolarHBondContact OE2-CE 3.46Å; E233-K236 IonicContact OE2-NZ 2.64Å; E233-K236 PolarHBondContact OE2-NZ 3Å
234L92.1Very high90.7Very high5 Ų559.9 Ų59.93%0.02630%0.296CS..G310 helixtrans-56.9-28-171.4-167.263.3000113.3G27 M136 L140 V232 K236 T237 W241G27-L234 WeakPolarHBondContact O-CD2 3.33Å; M136-L234 HydrophobicContact CE-CD2 3.35Å; M136-L234 HydrophobicContact CE-CG 3.87Å; L140-L234 HydrophobicContact CD1-CB 4.01Å; L140-L234 HydrophobicContact CD1-CD2 4.27Å; L140-L234 HydrophobicContact CD1-CG 4.2Å; L140-L234 HydrophobicContact CD2-CB 4.28Å; L140-L234 HydrophobicContact CD2-CD2 4.08Å; V232-L234 PolarHBondContact O-N 3.16Å; L234-K236 VanDerWaalsContact C-N 3.25Å; L234-K236 PolarHBondContact O-N 3.36Å; L234-T237 HydrophobicContact CD1-CG2 4.33Å; L234-T237 WeakPolarHBondContact O-CB 3.29Å; L234-T237 PolarHBondContact O-N 3.27Å; L234-T237 PolarHBondContact O-OG1 3.26Å; L234-W241 WeakPolarHBondContact O-CZ2 3.28Å
235S92.6Very high92.6Very high43 Ų4353.9 Ų53.930%0.30127%0.269SS..G310 helixtrans-61.1-30.2175.153.50000113.5Q137 E233 T237 E238Q137-S235 PolarHBondContact NE2-O 3.34Å; E233-S235 PolarHBondContact O-N 3.48Å; S235-T237 PolarHBondContact O-N 2.86Å; S235-E238 WeakPolarHBondContact O-CB 3.47Å; S235-E238 PolarHBondContact O-N 3.37Å
236K93.8Very high94.2Very high119 Ų11954 Ų5452%0.51726%0.264SS..G310 helixtrans-68.3-15.5175.8-71179.4168.7156.90113E233 L234 E238E233-K236 HydrophobicContact CB-CD 3.94Å; E233-K236 HydrophobicContact CB-CG 4.17Å; E233-K236 WeakPolarHBondContact O-CB 3.43Å; E233-K236 PolarHBondContact O-N 3.15Å; E233-K236 IonicContact OE1-NZ 2.64Å; E233-K236 PolarHBondContact OE1-NZ 3.33Å; E233-K236 WeakPolarHBondContact OE2-CD 3.29Å; E233-K236 WeakPolarHBondContact OE2-CE 3.46Å; E233-K236 IonicContact OE2-NZ 2.64Å; E233-K236 PolarHBondContact OE2-NZ 3Å; L234-K236 VanDerWaalsContact C-N 3.25Å; L234-K236 PolarHBondContact O-N 3.36Å; K236-E238 VanDerWaalsContact C-N 3.33Å
237T94.9Very high95.4Very high5 Ų552.4 Ų52.43%0.03126%0.257CS..G310 helixtrans-88.7-1.6-178.575.90000112.9L68 L234 S235 K239 Y240 W241L68-T237 HydrophobicContact CD1-CG2 3.37Å; L234-T237 HydrophobicContact CD1-CG2 4.33Å; L234-T237 WeakPolarHBondContact O-CB 3.29Å; L234-T237 PolarHBondContact O-N 3.27Å; L234-T237 PolarHBondContact O-OG1 3.26Å; S235-T237 PolarHBondContact O-N 2.86Å; T237-K239 PolarHBondContact O-N 2.94Å; T237-K239 VanDerWaalsContact O-N 3.12Å; T237-Y240 WeakPolarHBondContact O-CB 3.22Å; T237-Y240 PolarHBondContact O-N 3.44Å; T237-W241 PolarHBondContact O-NE1 3.24Å; T237-W241 PolarHBondContact OG1-NE1 3.18Å
238E95.1Very high95.7Very high87 Ų8749 Ų4941%0.40724%0.243SC..Hα-helixtrans-49.8-40.1-177.4-175.9175.7-17500114.1Q137 S235 K236 Y240 W241Q137-E238 VanDerWaalsContact CD-OE2 3.27Å; Q137-E238 VanDerWaalsContact NE2-CD 3.31Å; Q137-E238 PolarHBondContact NE2-OE2 3.16Å; S235-E238 WeakPolarHBondContact O-CB 3.47Å; S235-E238 PolarHBondContact O-N 3.37Å; K236-E238 VanDerWaalsContact C-N 3.33Å; E238-Y240 PolarHBondContact O-N 3.48Å; E238-W241 HydrophobicContact CB-CD2 4.27Å; E238-W241 HydrophobicContact CB-CE3 4.25Å; E238-W241 HydrophobicContact CB-CH2 4.42Å; E238-W241 HydrophobicContact CB-CZ2 4.37Å; E238-W241 HydrophobicContact CB-CZ3 4.35Å; E238-W241 HydrophobicContact CG-CD2 4.38Å; E238-W241 HydrophobicContact CG-CE3 3.93Å; E238-W241 HydrophobicContact CG-CZ3 4.07Å; E238-W241 WeakPolarHBondContact O-CB 3.3Å; E238-W241 PolarHBondContact O-N 3.37Å
239K96Very high95.7Very high133 Ų13347 Ų4758%0.57824%0.235SC*.Hα-helixtrans-56-19.2175.557.1173.1165.2157.40114.5T237T237-K239 PolarHBondContact O-N 2.94Å; T237-K239 VanDerWaalsContact O-N 3.12Å
240Y97.4Very high95.8Very high45 Ų4547.6 Ų47.618%0.17624%0.244CC..Hα-helixtrans-101.4-14.4179.6-58.5-63.1000113.7E66 L68 T237 E238 D242 G243 W244E66-Y240 WeakPolarHBondContact O-CE2 3.2Å; E66-Y240 PolarHBondContact O-OH 2.99Å; E66-Y240 VanDerWaalsContact O-OH 3.11Å; L68-Y240 HydrophobicContact CB-CD2 3.84Å; L68-Y240 HydrophobicContact CB-CE2 4.16Å; L68-Y240 HydrophobicContact CB-CG 4.49Å; T237-Y240 WeakPolarHBondContact O-CB 3.22Å; T237-Y240 PolarHBondContact O-N 3.44Å; E238-Y240 PolarHBondContact O-N 3.48Å; Y240-D242 VanDerWaalsContact C-N 3.31Å; Y240-D242 PolarHBondContact O-N 3.15Å; Y240-G243 PolarHBondContact O-N 2.76Å; Y240-W244 VanDerWaalsContact O-CD1 3.27Å; Y240-W244 PolarHBondContact O-N 2.92Å; Y240-W244 VanDerWaalsContact O-N 3.08Å
241W96.1Very high95.8Very high1 Ų148.7 Ų48.70%0.00425%0.251CS..Hα-helixtrans-61.8-39.7-172.7-64.1-3.4000112.4L133 M136 Q137 L140 L234 T237 E238 G243 W244 F245L133-W241 HydrophobicContact CB-CE3 4.14Å; L133-W241 HydrophobicContact CD1-CB 4.18Å; L133-W241 HydrophobicContact CD2-CB 3.89Å; L133-W241 HydrophobicContact CD2-CD2 4.24Å; L133-W241 HydrophobicContact CD2-CE3 3.78Å; L133-W241 HydrophobicContact CD2-CG 4.35Å; L133-W241 HydrophobicContact CG-CE3 4.4Å; M136-W241 HydrophobicContact CB-CH2 4.35Å; M136-W241 HydrophobicContact CB-CZ3 4.27Å; M136-W241 HydrophobicContact CE-CH2 3.85Å; M136-W241 HydrophobicContact CE-CZ2 3.51Å; M136-W241 HydrophobicContact CG-CH2 3.91Å; M136-W241 HydrophobicContact CG-CZ3 4.26Å; M136-W241 HydrophobicContact SD-CH2 3.93Å; M136-W241 HydrophobicContact SD-CZ2 4.13Å; M136-W241 HydrophobicContact SD-CZ3 4.15Å; Q137-W241 HydrophobicContact CG-CH2 4.01Å; Q137-W241 HydrophobicContact CG-CZ3 3.91Å; L140-W241 HydrophobicContact CD1-CH2 3.97Å; L140-W241 HydrophobicContact CD1-CZ2 4.1Å; L234-W241 WeakPolarHBondContact O-CZ2 3.28Å; T237-W241 PolarHBondContact O-NE1 3.24Å; T237-W241 PolarHBondContact OG1-NE1 3.18Å; E238-W241 HydrophobicContact CB-CD2 4.27Å; E238-W241 HydrophobicContact CB-CE3 4.25Å; E238-W241 HydrophobicContact CB-CH2 4.42Å; E238-W241 HydrophobicContact CB-CZ2 4.37Å; E238-W241 HydrophobicContact CB-CZ3 4.35Å; E238-W241 HydrophobicContact CG-CD2 4.38Å; E238-W241 HydrophobicContact CG-CE3 3.93Å; E238-W241 HydrophobicContact CG-CZ3 4.07Å; E238-W241 WeakPolarHBondContact O-CB 3.3Å; E238-W241 PolarHBondContact O-N 3.37Å; W241-G243 VanDerWaalsContact C-N 3.32Å; W241-G243 PolarHBondContact O-N 3.42Å; W241-W244 HydrophobicContact CB-CE3 4.45Å; W241-W244 AromaticContact CD1-CE3 3.46Å; W241-W244 VanDerWaalsContact CD1-CE3 3.46Å; W241-W244 AromaticContact CD1-CH2 3.5Å; W241-W244 VanDerWaalsContact CD1-CH2 3.5Å; W241-W244 AromaticContact CD1-CZ3 3.08Å; W241-W244 HydrophobicContact CG-CE3 4.18Å; W241-W244 HydrophobicContact CG-CZ3 4.11Å; W241-W244 AromaticContact NE1-CH2 3.63Å; W241-W244 AromaticContact NE1-CZ3 3.38Å; W241-W244 WeakPolarHBondContact O-CB 3.36Å; W241-W244 PolarHBondContact O-N 2.84Å; W241-W244 VanDerWaalsContact O-N 3.08Å; W241-F245 HydrophobicContact CB-CD2 4.47Å; W241-F245 HydrophobicContact CB-CE2 4.28Å; W241-F245 WeakPolarHBondContact O-CD2 3.03Å; W241-F245 PolarHBondContact O-N 3.36Å
242D96.5Very high96Very high66 Ų6646.4 Ų46.435%0.35324%0.243SC..Hα-helixtrans-56.3-47.3174.3-171.383.2000111.3M130 Y240 W244 F245 R246M130-D242 WeakPolarHBondContact CE-OD1 3.46Å; Y240-D242 VanDerWaalsContact C-N 3.31Å; Y240-D242 PolarHBondContact O-N 3.15Å; D242-W244 PolarHBondContact O-N 3.37Å; D242-F245 PolarHBondContact O-N 2.93Å; D242-R246 VanDerWaalsContact CG-NE 3.29Å; D242-R246 WeakPolarHBondContact O-CB 3.49Å; D242-R246 PolarHBondContact O-N 3.37Å; D242-R246 IonicContact OD1-CZ 3.78Å; D242-R246 IonicContact OD1-NE 2.83Å; D242-R246 PolarHBondContact OD1-NE 3.36Å; D242-R246 IonicContact OD1-NH2 3.58Å; D242-R246 PolarHBondContact OD1-NH2 3.28Å; D242-R246 IonicContact OD2-CZ 3.31Å; D242-R246 IonicContact OD2-NE 3.94Å; D242-R246 PolarHBondContact OD2-NE 3.14Å; D242-R246 IonicContact OD2-NH2 3.37Å
243G97.3Very high96.2Very high41 Ų4147.2 Ų47.242%0.42325%0.247SC..Hα-helixtrans-68.8-18.5177.900000114.4A70 H106 Y240 W241A70-G243 WeakPolarHBondContact CB-O 3.23Å; H106-G243 PolarHBondContact NE2-O 3.33Å; Y240-G243 PolarHBondContact O-N 2.76Å; W241-G243 VanDerWaalsContact C-N 3.32Å; W241-G243 PolarHBondContact O-N 3.42Å
244W97.9Very high96.6Very high3 Ų345.5 Ų45.51%0.01125%0.247CC..Hα-helixtrans-75.8-44.6172.9-60.6-14.9000111.4L68 M99 A102 H106 Y240 W241 D242L68-W244 HydrophobicContact CB-CZ2 4.15Å; L68-W244 WeakPolarHBondContact O-CZ2 3.09Å; L68-W244 PolarHBondContact O-NE1 2.99Å; M99-W244 HydrophobicContact CB-CE3 4.29Å; M99-W244 HydrophobicContact CB-CZ3 4.25Å; M99-W244 HydrophobicContact CG-CD2 4.08Å; M99-W244 HydrophobicContact CG-CE3 3.82Å; M99-W244 HydrophobicContact CG-CH2 4.02Å; M99-W244 HydrophobicContact CG-CZ2 4.28Å; M99-W244 HydrophobicContact CG-CZ3 3.76Å; M99-W244 HydrophobicContact SD-CH2 3.66Å; M99-W244 HydrophobicContact SD-CZ2 4.02Å; M99-W244 HydrophobicContact SD-CZ3 3.93Å; A102-W244 HydrophobicContact CB-CB 4.23Å; A102-W244 WeakPolarHBondContact CB-O 3.33Å; H106-W244 PolarHBondContact NE2-O 2.96Å; Y240-W244 VanDerWaalsContact O-CD1 3.27Å; Y240-W244 PolarHBondContact O-N 2.92Å; Y240-W244 VanDerWaalsContact O-N 3.08Å; W241-W244 HydrophobicContact CB-CE3 4.45Å; W241-W244 AromaticContact CD1-CE3 3.46Å; W241-W244 VanDerWaalsContact CD1-CE3 3.46Å; W241-W244 AromaticContact CD1-CH2 3.5Å; W241-W244 VanDerWaalsContact CD1-CH2 3.5Å; W241-W244 AromaticContact CD1-CZ3 3.08Å; W241-W244 HydrophobicContact CG-CE3 4.18Å; W241-W244 HydrophobicContact CG-CZ3 4.11Å; W241-W244 AromaticContact NE1-CH2 3.63Å; W241-W244 AromaticContact NE1-CZ3 3.38Å; W241-W244 WeakPolarHBondContact O-CB 3.36Å; W241-W244 PolarHBondContact O-N 2.84Å; W241-W244 VanDerWaalsContact O-N 3.08Å; D242-W244 PolarHBondContact O-N 3.37Å
245F96.8Very high96.9Very high12 Ų1245.7 Ų45.75%0.05325%0.249CC..Hα-helixtrans-108.4-25.5-165-52.7-60.6000114.9A102 V124 E126 A129 M130 L133 W241 D242 G247 L248A102-F245 HydrophobicContact CB-CD1 4.15Å; A102-F245 HydrophobicContact CB-CE1 4.07Å; V124-F245 HydrophobicContact CG2-CD1 3.73Å; V124-F245 HydrophobicContact CG2-CE1 3.72Å; E126-F245 VanDerWaalsContact CG-O 3.23Å; E126-F245 WeakPolarHBondContact CG-O 3.49Å; A129-F245 HydrophobicContact CB-CB 4.19Å; A129-F245 HydrophobicContact CB-CD1 4.01Å; A129-F245 HydrophobicContact CB-CD2 4.26Å; A129-F245 HydrophobicContact CB-CE1 4.5Å; A129-F245 HydrophobicContact CB-CG 3.89Å; M130-F245 HydrophobicContact CG-CB 4.5Å; M130-F245 HydrophobicContact SD-CB 3.94Å; L133-F245 HydrophobicContact CD2-CD2 3.99Å; L133-F245 HydrophobicContact CD2-CE2 3.97Å; W241-F245 HydrophobicContact CB-CD2 4.47Å; W241-F245 HydrophobicContact CB-CE2 4.28Å; W241-F245 WeakPolarHBondContact O-CD2 3.03Å; W241-F245 PolarHBondContact O-N 3.36Å; D242-F245 PolarHBondContact O-N 2.93Å; F245-G247 PolarHBondContact O-N 3.12Å; F245-L248 HydrophobicContact CD1-CD2 4.07Å; F245-L248 WeakPolarHBondContact O-CB 3.45Å; F245-L248 PolarHBondContact O-N 3.25Å
246R96.8Very high97.1Very high148 Ų14849.6 Ų49.656%0.55828%0.276SS*.THydrogen-bonded Turntrans-64.1127.5-179.7-176.8177.2-65.5-77.9-3.2110.9D242 L248D242-R246 VanDerWaalsContact CG-NE 3.29Å; D242-R246 WeakPolarHBondContact O-CB 3.49Å; D242-R246 PolarHBondContact O-N 3.37Å; D242-R246 IonicContact OD1-CZ 3.78Å; D242-R246 IonicContact OD1-NE 2.83Å; D242-R246 PolarHBondContact OD1-NE 3.36Å; D242-R246 IonicContact OD1-NH2 3.58Å; D242-R246 PolarHBondContact OD1-NH2 3.28Å; D242-R246 IonicContact OD2-CZ 3.31Å; D242-R246 IonicContact OD2-NE 3.94Å; D242-R246 PolarHBondContact OD2-NE 3.14Å; D242-R246 IonicContact OD2-NH2 3.37Å; R246-L248 PolarHBondContact O-N 2.73Å
247G97.3Very high97.3Very high32 Ų3244.9 Ų44.933%0.3326%0.257SS..THydrogen-bonded Turntrans69.96.4-17500000114.8E126 F245 S249 A250 L251E126-G247 PolarHBondContact OE1-N 3.17Å; E126-G247 WeakPolarHBondContact OE2-CA 3.35Å; E126-G247 PolarHBondContact OE2-N 2.95Å; E126-G247 VanDerWaalsContact OE2-N 3.16Å; F245-G247 PolarHBondContact O-N 3.12Å; G247-S249 VanDerWaalsContact C-N 3.3Å; G247-S249 PolarHBondContact O-N 2.96Å; G247-A250 PolarHBondContact O-N 3.11Å; G247-L251 WeakPolarHBondContact O-CB 3.16Å; G247-L251 PolarHBondContact O-N 2.97Å
248L98.1Very high97.5Very high5 Ų546.8 Ų46.83%0.02627%0.269CS..Hα-helixtrans-62.4-36.5-173.1-177.867.4000112.3A102 V105 V124 E126 F245 R246 L251 F252A102-L248 HydrophobicContact CB-CD1 4.1Å; A102-L248 HydrophobicContact CB-CD2 3.84Å; V105-L248 HydrophobicContact CB-CD1 3.61Å; V105-L248 HydrophobicContact CG1-CD1 3.72Å; V105-L248 HydrophobicContact CG2-CD1 3.91Å; V124-L248 HydrophobicContact CG1-CD2 4.5Å; V124-L248 HydrophobicContact CG2-CD2 3.74Å; E126-L248 HydrophobicContact CB-CB 4.36Å; E126-L248 PolarHBondContact OE2-N 2.71Å; F245-L248 HydrophobicContact CD1-CD2 4.07Å; F245-L248 WeakPolarHBondContact O-CB 3.45Å; F245-L248 PolarHBondContact O-N 3.25Å; R246-L248 PolarHBondContact O-N 2.73Å; L248-L251 PolarHBondContact O-N 2.67Å; L248-F252 WeakPolarHBondContact O-CB 3.4Å; L248-F252 PolarHBondContact O-N 2.98Å
249S98Very high97.7Very high2 Ų243.5 Ų43.51%0.01425%0.253CS..Hα-helixtrans-66.7-46.1-179.1-72.10000111.2E126 G247 L251 F252 L253 D270 L273E126-S249 WeakPolarHBondContact CB-OG 3.44Å; E126-S249 PolarHBondContact N-OG 2.63Å; E126-S249 PolarHBondContact OE2-N 3.37Å; G247-S249 VanDerWaalsContact C-N 3.3Å; G247-S249 PolarHBondContact O-N 2.96Å; S249-L251 VanDerWaalsContact C-N 3.34Å; S249-L251 PolarHBondContact O-N 3.39Å; S249-F252 PolarHBondContact O-N 2.95Å; S249-L253 VanDerWaalsContact O-CG 3.27Å; S249-L253 WeakPolarHBondContact O-CG 3.18Å; S249-L253 PolarHBondContact O-N 2.68Å; S249-L253 VanDerWaalsContact O-N 3.1Å; S249-D270 WeakPolarHBondContact CB-OD2 3.46Å; S249-D270 PolarHBondContact OG-OD2 2.91Å; S249-L273 WeakPolarHBondContact OG-CG 3.38Å
250A97.9Very high97.8Very high52 Ų5237.1 Ų37.143%0.4323%0.226SC..Hα-helixtrans-62.9-41173.900000111.9G247 L253 S254G247-A250 PolarHBondContact O-N 3.11Å; A250-L253 PolarHBondContact O-N 3.08Å; A250-S254 PolarHBondContact O-N 3.41Å
251L98.3Very high97.8Very high44 Ų4435 Ų3523%0.2322%0.218CC..Hα-helixtrans-63.7-47.1179.2-162.164.8000111.5V105 S109 G247 L248 S249 L253 S254 C255V105-L251 HydrophobicContact CG1-CB 3.91Å; V105-L251 HydrophobicContact CG1-CD2 3.95Å; V105-L251 HydrophobicContact CG1-CG 3.82Å; S109-L251 WeakPolarHBondContact OG-CD1 3.38Å; G247-L251 WeakPolarHBondContact O-CB 3.16Å; G247-L251 PolarHBondContact O-N 2.97Å; L248-L251 PolarHBondContact O-N 2.67Å; S249-L251 VanDerWaalsContact C-N 3.34Å; S249-L251 PolarHBondContact O-N 3.39Å; L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.05Å; L251-S254 WeakPolarHBondContact O-CB 3.42Å; L251-S254 PolarHBondContact O-N 3.37Å; L251-S254 PolarHBondContact O-OG 3.43Å; L251-C255 PolarHBondContact O-N 3.37Å; L251-C255 PolarHBondContact O-SG 3.28Å
252F98.6Very high97.9Very high7 Ų735 Ų353%0.03122%0.218CC..Hα-helixtrans-56.7-45174.5169.9-104.7000111.6V105 L119 V121 L248 S249 S254 C255 K259 L261 L273 F282V105-F252 HydrophobicContact CG1-CB 4.06Å; V105-F252 HydrophobicContact CG2-CB 4.05Å; V105-F252 HydrophobicContact CG2-CD2 4Å; L119-F252 HydrophobicContact CD2-CD2 3.88Å; L119-F252 HydrophobicContact CD2-CE2 4.19Å; L119-F252 HydrophobicContact CG-CE2 4.43Å; V121-F252 HydrophobicContact CB-CE2 4.33Å; V121-F252 HydrophobicContact CG2-CD2 3.87Å; V121-F252 HydrophobicContact CG2-CE2 3.79Å; L248-F252 WeakPolarHBondContact O-CB 3.4Å; L248-F252 PolarHBondContact O-N 2.98Å; S249-F252 PolarHBondContact O-N 2.95Å; F252-S254 PolarHBondContact O-N 3.21Å; F252-C255 PolarHBondContact O-N 3.41Å; F252-K259 HydrophobicContact CD1-CD 4.33Å; F252-K259 HydrophobicContact CD2-CD 3.93Å; F252-K259 HydrophobicContact CD2-CG 4.33Å; F252-K259 HydrophobicContact CE1-CB 4.41Å; F252-K259 HydrophobicContact CE1-CD 4.15Å; F252-K259 HydrophobicContact CE2-CB 3.83Å; F252-K259 HydrophobicContact CE2-CD 3.74Å; F252-K259 HydrophobicContact CE2-CG 3.73Å; F252-K259 HydrophobicContact CG-CD 4.26Å; F252-K259 HydrophobicContact CZ-CB 3.61Å; F252-K259 HydrophobicContact CZ-CD 3.88Å; F252-K259 HydrophobicContact CZ-CG 3.97Å; F252-K259 WeakPolarHBondContact O-CD 3.3Å; F252-K259 WeakPolarHBondContact O-CE 3.12Å; F252-L261 HydrophobicContact CZ-CB 4.45Å; F252-L273 HydrophobicContact CD1-CD2 3.74Å; F252-L273 HydrophobicContact CE1-CD2 4.24Å; F252-F282 HydrophobicContact CE1-CB 4.04Å; F252-F282 AromaticContact CE1-CD1 3.87Å; F252-F282 HydrophobicContact CE1-CD1 3.87Å; F252-F282 HydrophobicContact CE1-CD2 4.04Å; F252-F282 HydrophobicContact CE1-CE1 4.3Å; F252-F282 HydrophobicContact CE1-CE2 4.45Å; F252-F282 AromaticContact CE1-CG 3.73Å; F252-F282 HydrophobicContact CE1-CG 3.73Å; F252-F282 HydrophobicContact CZ-CB 4.09Å; F252-F282 HydrophobicContact CZ-CD2 4.31Å; F252-F282 HydrophobicContact CZ-CG 4.16Å
253L98.4Very high97.8Very high31 Ų3131.9 Ų31.916%0.16220%0.201CC..Hα-helixtrans-65.8-27178.2-68.7172.5000113.2S249 A250 L251 D272 L273 K281 F282S249-L253 VanDerWaalsContact O-CG 3.27Å; S249-L253 WeakPolarHBondContact O-CG 3.18Å; S249-L253 PolarHBondContact O-N 2.68Å; S249-L253 VanDerWaalsContact O-N 3.1Å; A250-L253 PolarHBondContact O-N 3.08Å; L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.05Å; L253-D272 WeakPolarHBondContact CD1-O 3.43Å; L253-L273 HydrophobicContact CD1-CD2 4.3Å; L253-L273 HydrophobicContact CD2-CD2 4.29Å; L253-L273 HydrophobicContact CG-CD2 4.08Å; L253-K281 HydrophobicContact CD2-CB 4.03Å; L253-K281 HydrophobicContact CD2-CD 4.15Å; L253-F282 HydrophobicContact CD2-CD1 3.7Å; L253-F282 HydrophobicContact CD2-CE1 3.8Å
254S98.2Very high97.3Very high75 Ų7530.5 Ų30.552%0.52419%0.186SC..Hα-helixtrans-77.1-21.1178.679.50000114A250 L251 F252 S256A250-S254 PolarHBondContact O-N 3.41Å; L251-S254 WeakPolarHBondContact O-CB 3.42Å; L251-S254 PolarHBondContact O-N 3.37Å; L251-S254 PolarHBondContact O-OG 3.43Å; F252-S254 PolarHBondContact O-N 3.21Å; S254-S256 PolarHBondContact O-N 3.48Å
255C98.3Very high96.6Very high9 Ų931 Ų316%0.06119%0.192CC..  trans-62.7127177.8-61.40000110.6L119 L251 F252 V257 K259L119-C255 HydrophobicContact CD2-CB 4.48Å; L251-C255 PolarHBondContact O-N 3.37Å; L251-C255 PolarHBondContact O-SG 3.28Å; F252-C255 PolarHBondContact O-N 3.41Å; C255-V257 VanDerWaalsContact C-N 3.3Å; C255-V257 PolarHBondContact O-N 3.45Å; C255-K259 HydrophobicContact CB-CD 4.29Å; C255-K259 PolarHBondContact O-NZ 3.47Å
256S96.6Very high95.2Very high124 Ų12435.3 Ų35.387%0.86722%0.219SC*.  trans-76.8-12.3-17353.50000114.7S254S254-S256 PolarHBondContact O-N 3.48Å
257V98.6Very high94.1Very high21 Ų2134.5 Ų34.513%0.12723%0.226CC..SBendtrans-77.2157.1178.4-62.30000112L116 L119 C255 K259L116-V257 HydrophobicContact CD2-CG1 4.28Å; L116-V257 HydrophobicContact CD2-CG2 4.19Å; L116-V257 HydrophobicContact CG-CG1 4.21Å; L116-V257 WeakPolarHBondContact O-CG1 3.27Å; L119-V257 HydrophobicContact CB-CG2 3.93Å; C255-V257 VanDerWaalsContact C-N 3.3Å; C255-V257 PolarHBondContact O-N 3.45Å; V257-K259 WeakPolarHBondContact O-CG 3.38Å; V257-K259 PolarHBondContact O-NZ 2.67Å
258P98.8Very high93.1Very high44 Ų4436.2 Ų36.229%0.28622%0.222SC..  trans-52.5137.4164.5-3240.3000112.2L117 G118 L119 F309 F315L117-P258 WeakPolarHBondContact O-CD 3.31Å; G118-P258 WeakPolarHBondContact CA-O 3.22Å; L119-P258 PolarHBondContact N-O 3.34Å; P258-F309 HydrophobicContact CB-CE2 4.48Å; P258-F309 HydrophobicContact CB-CZ 3.73Å; P258-F315 HydrophobicContact CB-CE2 4.41Å; P258-F315 HydrophobicContact CB-CZ 4.18Å; P258-F315 HydrophobicContact CG-CZ 3.91Å
259K98.8Very high92.7Very high18 Ų1837.9 Ų37.98%0.07823%0.231CC..EExtended strand (participates in β ladder)trans-127.3137.7-170.6-76.9170.3-58.6-66.50111.7L119 F252 C255 V257 K281 F282 Q283L119-K259 HydrophobicContact CB-CG 4.31Å; L119-K259 CarbonylContact O-C 3.58Å; L119-K259 VanDerWaalsContact O-CA 3.28Å; L119-K259 WeakPolarHBondContact O-CA 3.39Å; F252-K259 HydrophobicContact CD1-CD 4.33Å; F252-K259 HydrophobicContact CD2-CD 3.93Å; F252-K259 HydrophobicContact CD2-CG 4.33Å; F252-K259 HydrophobicContact CE1-CB 4.41Å; F252-K259 HydrophobicContact CE1-CD 4.15Å; F252-K259 HydrophobicContact CE2-CB 3.83Å; F252-K259 HydrophobicContact CE2-CD 3.74Å; F252-K259 HydrophobicContact CE2-CG 3.73Å; F252-K259 HydrophobicContact CG-CD 4.26Å; F252-K259 HydrophobicContact CZ-CB 3.61Å; F252-K259 HydrophobicContact CZ-CD 3.88Å; F252-K259 HydrophobicContact CZ-CG 3.97Å; F252-K259 WeakPolarHBondContact O-CD 3.3Å; F252-K259 WeakPolarHBondContact O-CE 3.12Å; C255-K259 HydrophobicContact CB-CD 4.29Å; C255-K259 PolarHBondContact O-NZ 3.47Å; V257-K259 WeakPolarHBondContact O-CG 3.38Å; V257-K259 PolarHBondContact O-NZ 2.67Å; K259-K281 VanDerWaalsContact CE-O 3.31Å; K259-K281 WeakPolarHBondContact CE-O 3.33Å; K259-F282 HydrophobicContact CB-CB 3.59Å; K259-Q283 PolarHBondContact O-N 2.98Å
260L98.8Very high92.4Very high0 Ų038.9 Ų38.90%024%0.236CC..EExtended strand (participates in β ladder)trans-121.5132172.7-179.462.1000109.5L119 C120 V121 L262 Q283 L306 F309L119-L260 PolarHBondContact O-N 3.42Å; C120-L260 CarbonylContact C-O 3.58Å; C120-L260 VanDerWaalsContact CA-O 3.26Å; C120-L260 WeakPolarHBondContact CA-O 3.21Å; C120-L260 HydrophobicContact CB-CB 4.16Å; C120-L260 HydrophobicContact CB-CD2 4.48Å; V121-L260 PolarHBondContact N-O 3.46Å; L260-L262 HydrophobicContact CD1-CD2 3.98Å; L260-L262 HydrophobicContact CD2-CD2 4.08Å; L260-L262 HydrophobicContact CD2-CG 4.29Å; L260-L262 HydrophobicContact CG-CD2 3.95Å; L260-L262 HydrophobicContact CG-CG 4.19Å; L260-Q283 CarbonylContact C-O 3.58Å; L260-Q283 WeakPolarHBondContact CA-O 3.21Å; L260-Q283 HydrophobicContact CD1-CB 4.02Å; L260-Q283 HydrophobicContact CD1-CG 3.9Å; L260-L306 HydrophobicContact CD2-CD1 4.05Å; L260-F309 HydrophobicContact CB-CD1 4.39Å; L260-F309 HydrophobicContact CB-CD2 3.97Å; L260-F309 HydrophobicContact CB-CE1 4.42Å; L260-F309 HydrophobicContact CB-CE2 3.99Å; L260-F309 HydrophobicContact CB-CG 4.16Å; L260-F309 HydrophobicContact CB-CZ 4.22Å; L260-F309 HydrophobicContact CD1-CD2 4.2Å; L260-F309 HydrophobicContact CD2-CB 3.93Å; L260-F309 HydrophobicContact CD2-CD1 4.44Å; L260-F309 HydrophobicContact CD2-CD2 4.46Å; L260-F309 HydrophobicContact CD2-CG 4.04Å; L260-F309 HydrophobicContact CG-CD2 4.44Å; L260-F309 HydrophobicContact CG-CG 4.49Å
261L98.3Very high92.2Very high1 Ų144.1 Ų44.11%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-117.1121.4171.8-175.967000109.3V121 F252 L263 L269 L273 F282 Q283 M284 Q285V121-L261 HydrophobicContact CB-CD1 3.98Å; V121-L261 HydrophobicContact CG1-CD1 3.96Å; V121-L261 WeakPolarHBondContact O-CA 3.26Å; F252-L261 HydrophobicContact CZ-CB 4.45Å; L261-L263 HydrophobicContact CD1-CD2 4.1Å; L261-L263 HydrophobicContact CD2-CD1 4.04Å; L261-L263 HydrophobicContact CD2-CD2 4.2Å; L261-L263 HydrophobicContact CD2-CG 4.18Å; L261-L263 HydrophobicContact CG-CD1 4.43Å; L261-L263 HydrophobicContact CG-CD2 4.01Å; L261-L263 HydrophobicContact CG-CG 4.03Å; L261-L269 HydrophobicContact CD2-CD2 3.79Å; L261-L273 HydrophobicContact CD2-CD1 3.96Å; L261-F282 HydrophobicContact CB-CD2 3.73Å; L261-F282 HydrophobicContact CB-CE2 3.67Å; L261-F282 HydrophobicContact CD2-CD2 4.43Å; L261-F282 HydrophobicContact CD2-CE2 3.57Å; L261-F282 HydrophobicContact CD2-CZ 4.1Å; L261-F282 HydrophobicContact CG-CE2 4.28Å; L261-Q283 PolarHBondContact N-O 3.04Å; L261-M284 VanDerWaalsContact O-CA 3.32Å; L261-M284 WeakPolarHBondContact O-CA 3.48Å; L261-Q285 PolarHBondContact O-N 2.84Å
262L97.3Very high92Very high0 Ų045.4 Ų45.40%026%0.256CS..EExtended strand (participates in β ladder)trans-109.5125.1175.6-57.7-177000109.4V121 I122 D123 L260 Q285 V302 A305V121-L262 PolarHBondContact O-N 3.4Å; I122-L262 WeakPolarHBondContact CA-O 3.18Å; I122-L262 HydrophobicContact CD1-CD1 4.14Å; I122-L262 HydrophobicContact CG1-CB 4.27Å; I122-L262 HydrophobicContact CG1-CD1 4.23Å; I122-L262 HydrophobicContact CG2-CB 4.35Å; D123-L262 PolarHBondContact N-O 3.29Å; L260-L262 HydrophobicContact CD1-CD2 3.98Å; L260-L262 HydrophobicContact CD2-CD2 4.08Å; L260-L262 HydrophobicContact CD2-CG 4.29Å; L260-L262 HydrophobicContact CG-CD2 3.95Å; L260-L262 HydrophobicContact CG-CG 4.19Å; L262-Q285 WeakPolarHBondContact CA-O 3.49Å; L262-Q285 HydrophobicContact CD2-CB 3.78Å; L262-V302 HydrophobicContact CD1-CB 4.49Å; L262-V302 HydrophobicContact CD1-CG1 3.89Å; L262-V302 HydrophobicContact CD1-CG2 4.42Å; L262-A305 HydrophobicContact CD1-CB 4.45Å; L262-A305 HydrophobicContact CD2-CB 3.94Å
263L94Very high91.9Very high0 Ų045.3 Ų45.30%026%0.256CS..EExtended strand (participates in β ladder)trans-124.5145.6-177.4-60.4175.9000111.3V125 L261 G265 R268 L269 M284 Q285 V286 L287V125-L263 HydrophobicContact CG2-CD2 3.84Å; L261-L263 HydrophobicContact CD1-CD2 4.1Å; L261-L263 HydrophobicContact CD2-CD1 4.04Å; L261-L263 HydrophobicContact CD2-CD2 4.2Å; L261-L263 HydrophobicContact CD2-CG 4.18Å; L261-L263 HydrophobicContact CG-CD1 4.43Å; L261-L263 HydrophobicContact CG-CD2 4.01Å; L261-L263 HydrophobicContact CG-CG 4.03Å; L263-G265 VanDerWaalsContact C-N 3.25Å; L263-G265 WeakPolarHBondContact CB-O 3.39Å; L263-G265 PolarHBondContact O-N 3.33Å; L263-R268 HydrophobicContact CD1-CB 4.37Å; L263-R268 HydrophobicContact CD2-CB 4.41Å; L263-L269 HydrophobicContact CD1-CD2 3.71Å; L263-L269 HydrophobicContact CD1-CG 4.03Å; L263-M284 HydrophobicContact CD1-SD 4.02Å; L263-Q285 PolarHBondContact N-O 3.36Å; L263-V286 CarbonylContact O-C 3.55Å; L263-V286 WeakPolarHBondContact O-CA 3.42Å; L263-L287 PolarHBondContact O-N 3.07Å
264A88.4Confident91.8Very high13 Ų1346.4 Ų46.411%0.10726%0.264CS..SBendtrans-71.2-2217000000112.8D123 C290 V294D123-A264 PolarHBondContact OD1-N 2.86Å; D123-A264 VanDerWaalsContact OD1-N 3.16Å; A264-C290 HydrophobicContact CB-CB 4.47Å; A264-V294 HydrophobicContact CB-CG2 3.91Å
265G81.9Confident91.7Very high13 Ų1346.4 Ų46.413%0.13426%0.258CS..  trans-155.9154.4-178.900000113L263 D267L263-G265 VanDerWaalsContact C-N 3.25Å; L263-G265 WeakPolarHBondContact CB-O 3.39Å; L263-G265 PolarHBondContact O-N 3.33Å; G265-D267 VanDerWaalsContact C-N 3.34Å; G265-D267 WeakPolarHBondContact CA-OD1 3.45Å
266V68Low91.6Very high102 Ų10246 Ų4662%0.61826%0.255SS*.G310 helixtrans-74.2-24.5179.3-750000113.5R268 V286V266-R268 PolarHBondContact O-N 3.08Å; V266-V286 HydrophobicContact CG1-CB 4.39Å; V266-V286 HydrophobicContact CG1-CG1 4.25Å; V266-V286 HydrophobicContact CG1-CG2 3.54Å
267D74.4Confident91.6Very high132 Ų13242.6 Ų42.671%0.70623%0.225SC*.G310 helixtrans-65.6-2.4178.358.1-38.7000113.3G265G265-D267 VanDerWaalsContact C-N 3.34Å; G265-D267 WeakPolarHBondContact CA-OD1 3.45Å
268R75.3Confident91.5Very high67 Ų6749.4 Ų49.425%0.25326%0.258SS..G310 helixtrans-92.2-12.4-176.4-60-169.2176-147.510.5115D123 V125 T128 L263 V266D123-R268 WeakPolarHBondContact OD1-CD 3.46Å; D123-R268 IonicContact OD1-CZ 2.64Å; D123-R268 VanDerWaalsContact OD1-CZ 3.26Å; D123-R268 IonicContact OD1-NE 3.36Å; D123-R268 IonicContact OD1-NH1 3.18Å; D123-R268 PolarHBondContact OD1-NH1 3.4Å; D123-R268 IonicContact OD2-CZ 3.6Å; D123-R268 IonicContact OD2-NH1 3.86Å; D123-R268 PolarHBondContact OD2-NH1 2.87Å; D123-R268 IonicContact OD2-NH2 3.97Å; V125-R268 WeakPolarHBondContact CB-O 3.4Å; V125-R268 WeakPolarHBondContact CG1-O 3.48Å; V125-R268 HydrophobicContact CG2-CB 4.5Å; V125-R268 VanDerWaalsContact CG2-O 3.29Å; V125-R268 WeakPolarHBondContact CG2-O 3.29Å; T128-R268 HydrophobicContact CG2-CB 4.5Å; T128-R268 WeakPolarHBondContact CG2-O 3.44Å; L263-R268 HydrophobicContact CD1-CB 4.37Å; L263-R268 HydrophobicContact CD2-CB 4.41Å; V266-R268 PolarHBondContact O-N 3.08Å
269L89.7Confident91.4Very high40 Ų4052.9 Ų52.921%0.20927%0.27CS..  trans-72.3132.2179.9-67.7178.2000111.4L261 L263 L273 M284L261-L269 HydrophobicContact CD2-CD2 3.79Å; L263-L269 HydrophobicContact CD1-CD2 3.71Å; L263-L269 HydrophobicContact CD1-CG 4.03Å; L269-L273 HydrophobicContact CD2-CB 3.87Å; L269-L273 HydrophobicContact CD2-CD1 4.31Å; L269-M284 HydrophobicContact CD1-CE 4.05Å; L269-M284 HydrophobicContact CD1-SD 3.6Å; L269-M284 VanDerWaalsContact CD1-SD 3.6Å; L269-M284 HydrophobicContact CD2-SD 3.88Å; L269-M284 HydrophobicContact CG-SD 4.07Å
270D92.2Very high91.3Very high24 Ų2454.9 Ų54.913%0.12830%0.296CS..  trans-85.5178.6167.565.727.1000111.1V125 G127 S249 D272 L273 T274V125-D270 HydrophobicContact CG1-CB 3.8Å; V125-D270 VanDerWaalsContact CG1-CG 3.49Å; V125-D270 VanDerWaalsContact CG1-OD2 3.29Å; V125-D270 WeakPolarHBondContact CG1-OD2 3.18Å; G127-D270 PolarHBondContact N-OD2 3.4Å; S249-D270 WeakPolarHBondContact CB-OD2 3.46Å; S249-D270 PolarHBondContact OG-OD2 2.91Å; D270-D272 VanDerWaalsContact C-N 3.32Å; D270-D272 PolarHBondContact O-N 2.93Å; D270-D272 PolarHBondContact OD1-N 2.98Å; D270-D272 VanDerWaalsContact OD1-N 3.12Å; D270-L273 PolarHBondContact OD1-N 2.85Å; D270-T274 VanDerWaalsContact O-CB 3.24Å; D270-T274 WeakPolarHBondContact O-CB 3.32Å; D270-T274 PolarHBondContact O-N 3.29Å; D270-T274 PolarHBondContact O-OG1 3.03Å
271K93.6Very high91.3Very high161 Ų16159.7 Ų59.770%0.732%0.317SS*.Hα-helixtrans-58.2-43.7-178.6-175.5-179.3176.9-1750112.3T274 I275K271-T274 PolarHBondContact O-N 2.77Å; K271-I275 HydrophobicContact CG-CD1 4Å; K271-I275 VanDerWaalsContact O-CG1 3.29Å; K271-I275 WeakPolarHBondContact O-CG1 3.33Å; K271-I275 PolarHBondContact O-N 3.25Å
272D94.8Very high91.3Very high72 Ų7260.3 Ų60.339%0.38532%0.319SS..Hα-helixtrans-70.6-45.9-173.7-71.9-14.2000111.1L253 D270 T274 I275 G276L253-D272 WeakPolarHBondContact CD1-O 3.43Å; D270-D272 VanDerWaalsContact C-N 3.32Å; D270-D272 PolarHBondContact O-N 2.93Å; D270-D272 PolarHBondContact OD1-N 2.98Å; D270-D272 VanDerWaalsContact OD1-N 3.12Å; D272-T274 VanDerWaalsContact C-N 3.34Å; D272-I275 PolarHBondContact O-N 3.29Å; D272-G276 PolarHBondContact O-N 2.76Å
273L96.1Very high91.3Very high4 Ų462.3 Ų62.32%0.02133%0.329CS..Hα-helixtrans-68.9-32.5175.6-64.6-173.1000112.3V125 S249 F252 L253 L261 L269 D270 G276 Q277 F282V125-L273 HydrophobicContact CB-CD1 4.09Å; V125-L273 HydrophobicContact CG1-CD1 3.61Å; V125-L273 HydrophobicContact CG1-CG 4.42Å; V125-L273 HydrophobicContact CG2-CD1 3.71Å; S249-L273 WeakPolarHBondContact OG-CG 3.38Å; F252-L273 HydrophobicContact CD1-CD2 3.74Å; F252-L273 HydrophobicContact CE1-CD2 4.24Å; L253-L273 HydrophobicContact CD1-CD2 4.3Å; L253-L273 HydrophobicContact CD2-CD2 4.29Å; L253-L273 HydrophobicContact CG-CD2 4.08Å; L261-L273 HydrophobicContact CD2-CD1 3.96Å; L269-L273 HydrophobicContact CD2-CB 3.87Å; L269-L273 HydrophobicContact CD2-CD1 4.31Å; D270-L273 PolarHBondContact OD1-N 2.85Å; L273-G276 PolarHBondContact O-N 3.38Å; L273-Q277 WeakPolarHBondContact O-CB 3.28Å; L273-Q277 PolarHBondContact O-N 3.06Å; L273-F282 HydrophobicContact CB-CZ 4.16Å; L273-F282 HydrophobicContact CD2-CE1 4.26Å; L273-F282 HydrophobicContact CD2-CZ 4.37Å
274T95.4Very high91.5Very high55 Ų5564.7 Ų64.734%0.33734%0.341SS..Hα-helixtrans-60.5-49.8172.8-61.80000110.7D270 K271 D272 Q277 M278D270-T274 VanDerWaalsContact O-CB 3.24Å; D270-T274 WeakPolarHBondContact O-CB 3.32Å; D270-T274 PolarHBondContact O-N 3.29Å; D270-T274 PolarHBondContact O-OG1 3.03Å; K271-T274 PolarHBondContact O-N 2.77Å; D272-T274 VanDerWaalsContact C-N 3.34Å; T274-Q277 PolarHBondContact O-N 2.82Å; T274-M278 HydrophobicContact CG2-SD 4.3Å; T274-M278 WeakPolarHBondContact O-CG 3.46Å; T274-M278 PolarHBondContact O-N 2.6Å
275I96.3Very high91.8Very high75 Ų7567.5 Ų67.539%0.38535%0.352SS..Hα-helixtrans-62.1-46.3177.1-66.9165.3000110.4K271 D272 Q277 M278 Q279K271-I275 HydrophobicContact CG-CD1 4Å; K271-I275 VanDerWaalsContact O-CG1 3.29Å; K271-I275 WeakPolarHBondContact O-CG1 3.33Å; K271-I275 PolarHBondContact O-N 3.25Å; D272-I275 PolarHBondContact O-N 3.29Å; I275-Q277 VanDerWaalsContact C-N 3.31Å; I275-Q277 PolarHBondContact O-N 2.85Å; I275-M278 PolarHBondContact O-N 2.85Å; I275-Q279 VanDerWaalsContact O-CG 3.31Å; I275-Q279 WeakPolarHBondContact O-CG 3.46Å; I275-Q279 PolarHBondContact O-N 3.4Å
276G97.3Very high92.4Very high1 Ų169 Ų691%0.0136%0.358CS..Hα-helixtrans-60.8-38.8179.100000113.1D272 L273 Q279 G280 K281D272-G276 PolarHBondContact O-N 2.76Å; L273-G276 PolarHBondContact O-N 3.38Å; G276-Q279 PolarHBondContact O-N 2.86Å; G276-G280 PolarHBondContact O-N 3.3Å; G276-K281 WeakPolarHBondContact O-CB 3.23Å; G276-K281 PolarHBondContact O-N 3.08Å
277Q96.4Very high93.6Very high51 Ų5164.4 Ų64.424%0.23833%0.33CS..Hα-helixtrans-68.4-44.3177.4-176.35817.500111.5L273 T274 I275 Q279 G280 F282 M284L273-Q277 WeakPolarHBondContact O-CB 3.28Å; L273-Q277 PolarHBondContact O-N 3.06Å; T274-Q277 PolarHBondContact O-N 2.82Å; I275-Q277 VanDerWaalsContact C-N 3.31Å; I275-Q277 PolarHBondContact O-N 2.85Å; Q277-Q279 PolarHBondContact O-N 3.47Å; Q277-G280 PolarHBondContact O-N 3.48Å; Q277-F282 HydrophobicContact CB-CE1 3.92Å; Q277-F282 HydrophobicContact CB-CE2 4.33Å; Q277-F282 HydrophobicContact CB-CZ 3.65Å; Q277-F282 HydrophobicContact CG-CZ 4.35Å; Q277-F282 VanDerWaalsContact OE1-CZ 3.32Å; Q277-F282 PolarHBondContact OE1-O 3.29Å; Q277-M284 HydrophobicContact CG-CE 4.31Å
278M95.4Very high94.2Very high164 Ų16461.5 Ų61.581%0.80832%0.318SS*.Hα-helixtrans-62.2-28175.5-69.7179.875.500112.4T274 I275 G280T274-M278 HydrophobicContact CG2-SD 4.3Å; T274-M278 WeakPolarHBondContact O-CG 3.46Å; T274-M278 PolarHBondContact O-N 2.6Å; I275-M278 PolarHBondContact O-N 2.85Å; M278-G280 VanDerWaalsContact C-N 3.3Å
279Q97.3Very high94.6Very high117 Ų11766.1 Ų66.155%0.54734%0.343SS..THydrogen-bonded Turntrans-82.4-2.4173.4-69.5175.2-15.400113.7I275 G276 Q277 K281I275-Q279 VanDerWaalsContact O-CG 3.31Å; I275-Q279 WeakPolarHBondContact O-CG 3.46Å; I275-Q279 PolarHBondContact O-N 3.4Å; G276-Q279 PolarHBondContact O-N 2.86Å; Q277-Q279 PolarHBondContact O-N 3.47Å; Q279-K281 VanDerWaalsContact C-N 3.33Å; Q279-K281 HydrophobicContact CB-CD 4.48Å; Q279-K281 HydrophobicContact CB-CG 4.12Å; Q279-K281 PolarHBondContact O-N 3.03Å
280G97Very high94.4Very high60 Ų6065.1 Ų65.162%0.61934%0.339SS*.THydrogen-bonded Turntrans69.525-178.900000114.4G276 Q277 M278 F282G276-G280 PolarHBondContact O-N 3.3Å; Q277-G280 PolarHBondContact O-N 3.48Å; M278-G280 VanDerWaalsContact C-N 3.3Å; G280-F282 VanDerWaalsContact C-N 3.27Å; G280-F282 PolarHBondContact O-N 2.86Å
281K98.1Very high94Very high102 Ų10264.6 Ų64.644%0.44334%0.339SS..SBendtrans-72.7-16.9-177.1-71.6-177.9170.1163.30114.3L253 K259 G276 Q279L253-K281 HydrophobicContact CD2-CB 4.03Å; L253-K281 HydrophobicContact CD2-CD 4.15Å; K259-K281 VanDerWaalsContact CE-O 3.31Å; K259-K281 WeakPolarHBondContact CE-O 3.33Å; G276-K281 WeakPolarHBondContact O-CB 3.23Å; G276-K281 PolarHBondContact O-N 3.08Å; Q279-K281 VanDerWaalsContact C-N 3.33Å; Q279-K281 HydrophobicContact CB-CD 4.48Å; Q279-K281 HydrophobicContact CB-CG 4.12Å; Q279-K281 PolarHBondContact O-N 3.03Å
282F98.5Very high93.4Very high13 Ų1361 Ų616%0.05732%0.324CS..SBendtrans-151.3161.9176.862.4-83.7000110.3F252 L253 K259 L261 L273 Q277 G280 M284F252-F282 HydrophobicContact CE1-CB 4.04Å; F252-F282 AromaticContact CE1-CD1 3.87Å; F252-F282 HydrophobicContact CE1-CD1 3.87Å; F252-F282 HydrophobicContact CE1-CD2 4.04Å; F252-F282 HydrophobicContact CE1-CE1 4.3Å; F252-F282 HydrophobicContact CE1-CE2 4.45Å; F252-F282 AromaticContact CE1-CG 3.73Å; F252-F282 HydrophobicContact CE1-CG 3.73Å; F252-F282 HydrophobicContact CZ-CB 4.09Å; F252-F282 HydrophobicContact CZ-CD2 4.31Å; F252-F282 HydrophobicContact CZ-CG 4.16Å; L253-F282 HydrophobicContact CD2-CD1 3.7Å; L253-F282 HydrophobicContact CD2-CE1 3.8Å; K259-F282 HydrophobicContact CB-CB 3.59Å; L261-F282 HydrophobicContact CB-CD2 3.73Å; L261-F282 HydrophobicContact CB-CE2 3.67Å; L261-F282 HydrophobicContact CD2-CD2 4.43Å; L261-F282 HydrophobicContact CD2-CE2 3.57Å; L261-F282 HydrophobicContact CD2-CZ 4.1Å; L261-F282 HydrophobicContact CG-CE2 4.28Å; L273-F282 HydrophobicContact CB-CZ 4.16Å; L273-F282 HydrophobicContact CD2-CE1 4.26Å; L273-F282 HydrophobicContact CD2-CZ 4.37Å; Q277-F282 HydrophobicContact CB-CE1 3.92Å; Q277-F282 HydrophobicContact CB-CE2 4.33Å; Q277-F282 HydrophobicContact CB-CZ 3.65Å; Q277-F282 HydrophobicContact CG-CZ 4.35Å; Q277-F282 VanDerWaalsContact OE1-CZ 3.32Å; Q277-F282 PolarHBondContact OE1-O 3.29Å; G280-F282 VanDerWaalsContact C-N 3.27Å; G280-F282 PolarHBondContact O-N 2.86Å; F282-M284 HydrophobicContact CD2-CB 4.35Å; F282-M284 HydrophobicContact CE2-CB 4.02Å; F282-M284 HydrophobicContact CE2-CG 4.49Å
283Q98.2Very high93.3Very high43 Ų4357.6 Ų57.620%0.20131%0.307CS..EExtended strand (participates in β ladder)trans-89.3139.5169-177.9171.7-34.400108.8K259 L260 L261 F309K259-Q283 PolarHBondContact O-N 2.98Å; L260-Q283 CarbonylContact C-O 3.58Å; L260-Q283 WeakPolarHBondContact CA-O 3.21Å; L260-Q283 HydrophobicContact CD1-CB 4.02Å; L260-Q283 HydrophobicContact CD1-CG 3.9Å; L261-Q283 PolarHBondContact N-O 3.04Å; Q283-F309 HydrophobicContact CB-CD2 4.12Å; Q283-F309 HydrophobicContact CB-CE2 4.23Å
284M96.6Very high93.2Very high50 Ų5057.4 Ų57.425%0.24631%0.306CS..EExtended strand (participates in β ladder)trans-126140.2177.5-174.4-17869.900110.2L261 L263 L269 Q277 F282 V286L261-M284 VanDerWaalsContact O-CA 3.32Å; L261-M284 WeakPolarHBondContact O-CA 3.48Å; L263-M284 HydrophobicContact CD1-SD 4.02Å; L269-M284 HydrophobicContact CD1-CE 4.05Å; L269-M284 HydrophobicContact CD1-SD 3.6Å; L269-M284 VanDerWaalsContact CD1-SD 3.6Å; L269-M284 HydrophobicContact CD2-SD 3.88Å; L269-M284 HydrophobicContact CG-SD 4.07Å; Q277-M284 HydrophobicContact CG-CE 4.31Å; F282-M284 HydrophobicContact CD2-CB 4.35Å; F282-M284 HydrophobicContact CE2-CB 4.02Å; F282-M284 HydrophobicContact CE2-CG 4.49Å; M284-V286 HydrophobicContact CE-CG2 4.49Å
285Q95.9Very high93.3Very high72 Ų7254.8 Ų54.834%0.33629%0.289SS..EExtended strand (participates in β ladder)trans-136.5138.9169.5-174.2168.7-9.100110.4L261 L262 L263 L287L261-Q285 PolarHBondContact O-N 2.84Å; L262-Q285 WeakPolarHBondContact CA-O 3.49Å; L262-Q285 HydrophobicContact CD2-CB 3.78Å; L263-Q285 PolarHBondContact N-O 3.36Å; Q285-L287 HydrophobicContact CG-CD2 4.09Å
286V94.4Very high93.4Very high45 Ų4551.2 Ų51.227%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-105.7126.3179.8-179.20000107.8L263 V266 M284 P288L263-V286 CarbonylContact O-C 3.55Å; L263-V286 WeakPolarHBondContact O-CA 3.42Å; V266-V286 HydrophobicContact CG1-CB 4.39Å; V266-V286 HydrophobicContact CG1-CG1 4.25Å; V266-V286 HydrophobicContact CG1-CG2 3.54Å; M284-V286 HydrophobicContact CE-CG2 4.49Å; V286-P288 VanDerWaalsContact O-CD 3.29Å; V286-P288 WeakPolarHBondContact O-CD 3.5Å
287L93.3Very high93.4Very high5 Ų552.4 Ų52.43%0.02628%0.277CS..  trans-113.483.4-179-61.6-176.8000108.3L263 Q285 V294 K301 V302L263-L287 PolarHBondContact O-N 3.07Å; Q285-L287 HydrophobicContact CG-CD2 4.09Å; L287-V294 HydrophobicContact CB-CG1 3.86Å; L287-V294 HydrophobicContact CD1-CG1 3.69Å; L287-V294 HydrophobicContact CG-CG1 4.39Å; L287-K301 HydrophobicContact CD1-CB 4.13Å; L287-K301 HydrophobicContact CD2-CB 3.87Å; L287-K301 HydrophobicContact CD2-CD 4.35Å; L287-V302 HydrophobicContact CD1-CG2 3.59Å
288P86.9Confident93.4Very high71 Ų7150.6 Ų50.646%0.46127%0.271SS..THydrogen-bonded Turntrans-64.6163.5-175.329.5-36.2000111V286 C290V286-P288 VanDerWaalsContact O-CD 3.29Å; V286-P288 WeakPolarHBondContact O-CD 3.5Å; P288-C290 PolarHBondContact O-N 2.73Å
289Q82.6Confident93.6Very high164 Ų16443.2 Ų43.277%0.76624%0.236SC*.THydrogen-bonded Turntrans71.97.2177.1-50.7170.3-16.100115.5R164R164-Q289 PolarHBondContact NH1-O 2.99Å; R164-Q289 VanDerWaalsContact NH1-O 3.14Å
290C85.6Confident93.6Very high18 Ų1841.7 Ų41.712%0.12223%0.228CC..  trans-91.6151.5171.8-55.90000110.8A264 P288 V294 D297 A298A264-C290 HydrophobicContact CB-CB 4.47Å; P288-C290 PolarHBondContact O-N 2.73Å; C290-V294 HydrophobicContact CB-CB 4.2Å; C290-V294 HydrophobicContact CB-CG1 3.96Å; C290-V294 HydrophobicContact CB-CG2 3.96Å; C290-D297 HydrophobicContact CB-CB 4.17Å; C290-A298 VanDerWaalsContact SG-CB 3.54Å
291G83.9Confident93.6Very high13 Ų1343.2 Ų43.213%0.13422%0.218CC..  trans-76.3-153.6162.300000111.1D297G291-D297 WeakPolarHBondContact CA-OD2 3.38Å; G291-D297 PolarHBondContact N-OD2 3.05Å
292H82.1Confident93.6Very high86 Ų8638.5 Ų38.540%0.39820%0.197SC..SBendtrans-67.8-39.9-179.3-17460.1000112.9H97 S98 D123 V294H97-H292 AromaticContact CE1-CD2 3.54Å; H97-H292 AromaticContact CE1-NE2 3.63Å; H97-H292 AromaticContact NE2-CD2 3.57Å; H97-H292 AromaticContact NE2-CE1 3.98Å; H97-H292 AromaticContact NE2-NE2 3.56Å; H97-H292 PolarHBondContact NE2-O 3.48Å; S98-H292 VanDerWaalsContact CB-NE2 3.3Å; S98-H292 WeakPolarHBondContact CB-NE2 3.11Å; S98-H292 PolarHBondContact OG-NE2 2.67Å; S98-H292 VanDerWaalsContact OG-NE2 3.09Å; D123-H292 WeakPolarHBondContact OD2-CA 3.11Å; D123-H292 IonicContact OD2-ND1 2.73Å; D123-H292 PolarHBondContact OD2-ND1 2.87Å; H292-V294 PolarHBondContact O-N 2.94Å; H292-V294 VanDerWaalsContact O-N 3.15Å
293A91.3Very high93.6Very high1 Ų137.9 Ų37.91%0.00820%0.195CC..  trans-90.368.3-178.600000111.1H295 E296 D297A293-H295 PolarHBondContact O-N 2.99Å; A293-H295 VanDerWaalsContact O-N 3.11Å; A293-E296 HydrophobicContact CB-CB 4.07Å; A293-E296 HydrophobicContact CB-CG 4.1Å; A293-E296 WeakPolarHBondContact O-CB 3.45Å; A293-E296 PolarHBondContact O-N 2.82Å; A293-D297 PolarHBondContact O-N 2.87Å
294V94.8Very high93.6Very high0 Ų038.5 Ų38.50%020%0.199CC..Hα-helixtrans-53.5-35.8-176.1-173.10000113.1I122 D123 A264 L287 C290 H292 E296 D297 A298 V302I122-V294 HydrophobicContact CG2-CB 3.98Å; I122-V294 HydrophobicContact CG2-CG2 4.28Å; D123-V294 HydrophobicContact CB-CG2 4.16Å; A264-V294 HydrophobicContact CB-CG2 3.91Å; L287-V294 HydrophobicContact CB-CG1 3.86Å; L287-V294 HydrophobicContact CD1-CG1 3.69Å; L287-V294 HydrophobicContact CG-CG1 4.39Å; C290-V294 HydrophobicContact CB-CB 4.2Å; C290-V294 HydrophobicContact CB-CG1 3.96Å; C290-V294 HydrophobicContact CB-CG2 3.96Å; H292-V294 PolarHBondContact O-N 2.94Å; H292-V294 VanDerWaalsContact O-N 3.15Å; V294-E296 VanDerWaalsContact C-N 3.32Å; V294-E296 PolarHBondContact O-N 2.87Å; V294-D297 PolarHBondContact O-N 3.38Å; V294-A298 CarbonylContact O-C 3.49Å; V294-A298 PolarHBondContact O-N 2.77Å; V294-V302 HydrophobicContact CG1-CG2 3.83Å
295H98Very high93.7Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-72.3-21.7178.364.1-77.5000114S33 W34 H97 I122 A293 P299 V302S33-H295 WeakPolarHBondContact CB-NE2 3.38Å; S33-H295 PolarHBondContact O-CD2 3.25Å; W34-H295 AromaticContact CD2-CD2 3.74Å; W34-H295 HydrophobicContact CE3-CB 3.99Å; W34-H295 AromaticContact CE3-CD2 3.58Å; W34-H295 AromaticContact CE3-CG 3.93Å; W34-H295 HydrophobicContact CH2-CB 4.11Å; W34-H295 AromaticContact CH2-CG 3.84Å; W34-H295 HydrophobicContact CZ3-CB 3.52Å; W34-H295 AromaticContact CZ3-CD2 3.74Å; W34-H295 AromaticContact CZ3-CG 3.61Å; H97-H295 AromaticContact CD2-CE1 3.91Å; H97-H295 AromaticContact CD2-ND1 3.9Å; H97-H295 AromaticContact CG-CE1 3.34Å; H97-H295 AromaticContact CG-ND1 3.67Å; H97-H295 AromaticContact ND1-CE1 3.46Å; H97-H295 PolarHBondContact ND1-CE1 2.99Å; I122-H295 HydrophobicContact CD1-CB 4.2Å; A293-H295 PolarHBondContact O-N 2.99Å; A293-H295 VanDerWaalsContact O-N 3.11Å; H295-P299 WeakPolarHBondContact O-CB 3.19Å; H295-V302 HydrophobicContact CB-CG1 4.3Å; H295-V302 HydrophobicContact CB-CG2 4.43Å
296E98.1Very high93.8Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-86-41.6170.3-64.6-151.8-127.900111.1H29 S33 I163 N165 S168 S172 A293 V294 P299H29-E296 IonicContact CE1-OE1 3.62Å; H29-E296 IonicContact ND1-OE1 2.66Å; H29-E296 PolarHBondContact ND1-OE1 3.25Å; S33-E296 WeakPolarHBondContact CB-OE1 3.27Å; S33-E296 WeakPolarHBondContact O-CG 3.36Å; S33-E296 PolarHBondContact OG-OE1 2.83Å; I163-E296 HydrophobicContact CG2-CB 4.14Å; N165-E296 WeakPolarHBondContact CB-O 3.45Å; N165-E296 PolarHBondContact ND2-O 2.82Å; N165-E296 VanDerWaalsContact ND2-O 3.11Å; S168-E296 WeakPolarHBondContact OG-CB 3.45Å; S168-E296 WeakPolarHBondContact OG-CG 3.47Å; S168-E296 PolarHBondContact OG-OE2 3Å; S172-E296 VanDerWaalsContact CB-OE2 3.24Å; S172-E296 WeakPolarHBondContact CB-OE2 3.13Å; S172-E296 PolarHBondContact OG-OE2 2.78Å; A293-E296 HydrophobicContact CB-CB 4.07Å; A293-E296 HydrophobicContact CB-CG 4.1Å; A293-E296 WeakPolarHBondContact O-CB 3.45Å; A293-E296 PolarHBondContact O-N 2.82Å; V294-E296 VanDerWaalsContact C-N 3.32Å; V294-E296 PolarHBondContact O-N 2.87Å; E296-P299 WeakPolarHBondContact O-CD 3.4Å
297D97.1Very high94Very high25 Ų2530.7 Ų30.713%0.13416%0.16CC..Hα-helixtrans-74.1-40.3-174.6-71.9-11.6000113.2R164 C290 G291 A293 V294R164-D297 HydrophobicContact CB-CB 4.43Å; R164-D297 WeakPolarHBondContact CB-OD1 3.22Å; R164-D297 PolarHBondContact N-OD1 3.01Å; C290-D297 HydrophobicContact CB-CB 4.17Å; G291-D297 WeakPolarHBondContact CA-OD2 3.38Å; G291-D297 PolarHBondContact N-OD2 3.05Å; A293-D297 PolarHBondContact O-N 2.87Å; V294-D297 PolarHBondContact O-N 3.38Å
298A97.3Very high94.2Very high14 Ų1432.8 Ų32.812%0.11617%0.173CC..  trans-134.761-178.700000111.7C290 V294 E300 K301 V302C290-A298 VanDerWaalsContact SG-CB 3.54Å; V294-A298 CarbonylContact O-C 3.49Å; V294-A298 PolarHBondContact O-N 2.77Å; A298-E300 PolarHBondContact O-N 3.33Å; A298-K301 HydrophobicContact CB-CB 4.22Å; A298-K301 HydrophobicContact CB-CD 4.22Å; A298-K301 HydrophobicContact CB-CG 4.33Å; A298-K301 PolarHBondContact O-N 2.92Å; A298-K301 VanDerWaalsContact O-N 3.14Å; A298-V302 PolarHBondContact O-N 3.03Å; A298-V302 VanDerWaalsContact O-N 3.09Å
299P98Very high94.8Very high9 Ų929.5 Ų29.56%0.05815%0.151CC..Hα-helixtrans-57.2-36.9-175.821.7-32.6000112.4V36 F37 H295 E296 V302 A303V36-P299 HydrophobicContact CB-CB 4.23Å; V36-P299 HydrophobicContact CB-CG 4.15Å; V36-P299 HydrophobicContact CG1-CB 3.95Å; V36-P299 HydrophobicContact CG1-CG 3.56Å; F37-P299 HydrophobicContact CB-CB 4.23Å; H295-P299 WeakPolarHBondContact O-CB 3.19Å; E296-P299 WeakPolarHBondContact O-CD 3.4Å; P299-V302 PolarHBondContact O-N 3.11Å; P299-A303 VanDerWaalsContact O-CB 3.29Å; P299-A303 WeakPolarHBondContact O-CB 3.39Å; P299-A303 PolarHBondContact O-N 3.2Å
300E97.6Very high95.5Very high85 Ų8521.7 Ų21.740%0.39712%0.115SC..Hα-helixtrans-57.2-54.9174.9-66.5-67.5172.300112.3V40 R44 A298 V302 A303 D304V40-E300 WeakPolarHBondContact CG1-OE2 2.94Å; V40-E300 HydrophobicContact CG2-CG 4.36Å; V40-E300 VanDerWaalsContact CG2-OE1 3.26Å; V40-E300 WeakPolarHBondContact CG2-OE1 3.49Å; R44-E300 IonicContact CZ-OE2 2.67Å; R44-E300 IonicContact NE-OE2 3.2Å; R44-E300 IonicContact NH2-OE1 2.93Å; R44-E300 IonicContact NH2-OE2 3.87Å; R44-E300 PolarHBondContact NH2-OE2 3.12Å; A298-E300 PolarHBondContact O-N 3.33Å; E300-V302 VanDerWaalsContact C-N 3.3Å; E300-V302 PolarHBondContact O-N 3.13Å; E300-A303 PolarHBondContact O-N 3.24Å; E300-A303 VanDerWaalsContact O-N 3.14Å; E300-D304 VanDerWaalsContact O-CG 3.22Å; E300-D304 PolarHBondContact O-N 2.85Å
301K97.5Very high96.1Very high92 Ų9222.8 Ų22.840%0.412%0.121SC..Hα-helixtrans-65-36-178.4-61.4-175.4-178.9175.10112.3L287 A298 A305L287-K301 HydrophobicContact CD1-CB 4.13Å; L287-K301 HydrophobicContact CD2-CB 3.87Å; L287-K301 HydrophobicContact CD2-CD 4.35Å; A298-K301 HydrophobicContact CB-CB 4.22Å; A298-K301 HydrophobicContact CB-CD 4.22Å; A298-K301 HydrophobicContact CB-CG 4.33Å; A298-K301 PolarHBondContact O-N 2.92Å; A298-K301 VanDerWaalsContact O-N 3.14Å; K301-A305 VanDerWaalsContact O-CB 3.28Å; K301-A305 WeakPolarHBondContact O-CB 3.47Å; K301-A305 PolarHBondContact O-N 2.91Å
302V98.3Very high96.8Very high2 Ų230.7 Ų30.71%0.01215%0.147CC..Hα-helixtrans-66.7-43175.2174.60000110.6F37 I122 L262 L287 V294 H295 A298 P299 E300 L306F37-V302 HydrophobicContact CD2-CB 4.32Å; F37-V302 HydrophobicContact CD2-CG1 3.86Å; F37-V302 HydrophobicContact CE2-CG1 3.81Å; I122-V302 HydrophobicContact CD1-CG1 3.88Å; L262-V302 HydrophobicContact CD1-CB 4.49Å; L262-V302 HydrophobicContact CD1-CG1 3.89Å; L262-V302 HydrophobicContact CD1-CG2 4.42Å; L287-V302 HydrophobicContact CD1-CG2 3.59Å; V294-V302 HydrophobicContact CG1-CG2 3.83Å; H295-V302 HydrophobicContact CB-CG1 4.3Å; H295-V302 HydrophobicContact CB-CG2 4.43Å; A298-V302 PolarHBondContact O-N 3.03Å; A298-V302 VanDerWaalsContact O-N 3.09Å; P299-V302 PolarHBondContact O-N 3.11Å; E300-V302 VanDerWaalsContact C-N 3.3Å; E300-V302 PolarHBondContact O-N 3.13Å; V302-L306 WeakPolarHBondContact O-CB 3.38Å; V302-L306 PolarHBondContact O-N 3.32Å
303A98.4Very high97.5Very high0 Ų029.9 Ų29.90%014%0.143CC..Hα-helixtrans-64.2-43.2176.700000112F37 V40 I41 P299 E300 L306 A307F37-A303 HydrophobicContact CD2-CB 4.21Å; F37-A303 HydrophobicContact CE2-CB 4.13Å; V40-A303 HydrophobicContact CB-CB 4.04Å; V40-A303 HydrophobicContact CG1-CB 3.46Å; V40-A303 VanDerWaalsContact CG1-CB 3.46Å; I41-A303 HydrophobicContact CB-CB 4.09Å; I41-A303 HydrophobicContact CD1-CB 4.03Å; I41-A303 WeakPolarHBondContact CD1-O 3.3Å; P299-A303 VanDerWaalsContact O-CB 3.29Å; P299-A303 WeakPolarHBondContact O-CB 3.39Å; P299-A303 PolarHBondContact O-N 3.2Å; E300-A303 PolarHBondContact O-N 3.24Å; E300-A303 VanDerWaalsContact O-N 3.14Å; A303-L306 PolarHBondContact O-N 3.2Å; A303-A307 WeakPolarHBondContact O-CB 3.38Å; A303-A307 PolarHBondContact O-N 2.68Å
304D97.6Very high97.9Very high56 Ų5638.9 Ų38.930%0.29918%0.182SC..Hα-helixtrans-65.8-42.8179.3-64.5-23000111.8R44 E300 T308R44-D304 IonicContact NE-OD1 2.91Å; R44-D304 PolarHBondContact NE-OD1 2.79Å; E300-D304 VanDerWaalsContact O-CG 3.22Å; E300-D304 PolarHBondContact O-N 2.85Å; D304-T308 VanDerWaalsContact O-CB 3.3Å; D304-T308 WeakPolarHBondContact O-CB 3.38Å; D304-T308 PolarHBondContact O-N 3.42Å; D304-T308 PolarHBondContact O-OG1 2.64Å
305A98.2Very high98Very high2 Ų241.1 Ų41.12%0.01719%0.192CC..Hα-helixtrans-59.4-47.6174.700000111.5L262 K301 F309L262-A305 HydrophobicContact CD1-CB 4.45Å; L262-A305 HydrophobicContact CD2-CB 3.94Å; K301-A305 VanDerWaalsContact O-CB 3.28Å; K301-A305 WeakPolarHBondContact O-CB 3.47Å; K301-A305 PolarHBondContact O-N 2.91Å; A305-F309 WeakPolarHBondContact O-CB 3.08Å; A305-F309 PolarHBondContact O-N 3.18Å
306L98.5Very high98Very high1 Ų142 Ų421%0.00520%0.197CC..Hα-helixtrans-67.2-46.5179.6-17369.4000111.7L21 F37 I41 M93 I95 C120 L260 V302 A303 T308 F309 M310L21-L306 HydrophobicContact CD1-CD2 4.09Å; F37-L306 HydrophobicContact CE2-CD2 4.16Å; F37-L306 HydrophobicContact CZ-CD2 3.59Å; I41-L306 HydrophobicContact CD1-CB 4.45Å; I41-L306 HydrophobicContact CD1-CD2 4.34Å; I41-L306 HydrophobicContact CG1-CD2 4.45Å; M93-L306 HydrophobicContact CE-CD1 3.28Å; M93-L306 HydrophobicContact SD-CD1 3.74Å; I95-L306 HydrophobicContact CD1-CD2 4.16Å; I95-L306 HydrophobicContact CG1-CD1 4.17Å; I95-L306 HydrophobicContact CG1-CD2 4.15Å; C120-L306 HydrophobicContact CB-CD1 4.19Å; L260-L306 HydrophobicContact CD2-CD1 4.05Å; V302-L306 WeakPolarHBondContact O-CB 3.38Å; V302-L306 PolarHBondContact O-N 3.32Å; A303-L306 PolarHBondContact O-N 3.2Å; L306-T308 PolarHBondContact O-N 2.84Å; L306-F309 WeakPolarHBondContact O-CB 3.5Å; L306-F309 PolarHBondContact O-N 2.64Å; L306-M310 HydrophobicContact CD1-CG 4.45Å; L306-M310 HydrophobicContact CG-CG 4.33Å; L306-M310 HydrophobicContact CG-SD 4.17Å; L306-M310 WeakPolarHBondContact O-CB 3.36Å; L306-M310 VanDerWaalsContact O-CG 3.28Å; L306-M310 WeakPolarHBondContact O-CG 2.88Å; L306-M310 PolarHBondContact O-N 3.21Å
307A98.3Very high97.9Very high0 Ų049.3 Ų49.30%023%0.231CC..Hα-helixtrans-59.3-47179.200000111.1I41 R44 I45 A303 F309 M310 V311 F318I41-A307 HydrophobicContact CD1-CB 3.97Å; R44-A307 HydrophobicContact CB-CB 4.18Å; I45-A307 HydrophobicContact CG2-CB 3.7Å; A303-A307 WeakPolarHBondContact O-CB 3.38Å; A303-A307 PolarHBondContact O-N 2.68Å; A307-F309 VanDerWaalsContact C-N 3.34Å; A307-F309 PolarHBondContact O-N 2.87Å; A307-M310 PolarHBondContact O-N 2.65Å; A307-V311 WeakPolarHBondContact O-CB 3.38Å; A307-V311 WeakPolarHBondContact O-CG2 3.41Å; A307-V311 PolarHBondContact O-N 3.07Å; A307-F318 HydrophobicContact CB-CE1 3.79Å
308T98.3Very high97.8Very high50 Ų5051.1 Ų51.131%0.30724%0.238SC..Hα-helixtrans-58.9-45.8175.8-58.80000111.4D304 L306 R312D304-T308 VanDerWaalsContact O-CB 3.3Å; D304-T308 WeakPolarHBondContact O-CB 3.38Å; D304-T308 PolarHBondContact O-N 3.42Å; D304-T308 PolarHBondContact O-OG1 2.64Å; L306-T308 PolarHBondContact O-N 2.84Å; T308-R312 WeakPolarHBondContact O-CB 3.44Å; T308-R312 PolarHBondContact O-N 2.9Å
309F98.6Very high97.6Very high1 Ų155.1 Ų55.10%0.00425%0.253CS..Hα-helixtrans-59.3-49.1175.6174.5-92.1000111.7M93 P258 L260 Q283 A305 L306 A307 V311 R312 H313 F315M93-F309 HydrophobicContact CE-CD1 3.62Å; M93-F309 HydrophobicContact CE-CE1 3.48Å; M93-F309 VanDerWaalsContact CE-CE1 3.48Å; M93-F309 HydrophobicContact SD-CD1 4.38Å; M93-F309 HydrophobicContact SD-CE1 4.35Å; P258-F309 HydrophobicContact CB-CE2 4.48Å; P258-F309 HydrophobicContact CB-CZ 3.73Å; L260-F309 HydrophobicContact CB-CD1 4.39Å; L260-F309 HydrophobicContact CB-CD2 3.97Å; L260-F309 HydrophobicContact CB-CE1 4.42Å; L260-F309 HydrophobicContact CB-CE2 3.99Å; L260-F309 HydrophobicContact CB-CG 4.16Å; L260-F309 HydrophobicContact CB-CZ 4.22Å; L260-F309 HydrophobicContact CD1-CD2 4.2Å; L260-F309 HydrophobicContact CD2-CB 3.93Å; L260-F309 HydrophobicContact CD2-CD1 4.44Å; L260-F309 HydrophobicContact CD2-CD2 4.46Å; L260-F309 HydrophobicContact CD2-CG 4.04Å; L260-F309 HydrophobicContact CG-CD2 4.44Å; L260-F309 HydrophobicContact CG-CG 4.49Å; Q283-F309 HydrophobicContact CB-CD2 4.12Å; Q283-F309 HydrophobicContact CB-CE2 4.23Å; A305-F309 WeakPolarHBondContact O-CB 3.08Å; A305-F309 PolarHBondContact O-N 3.18Å; L306-F309 WeakPolarHBondContact O-CB 3.5Å; L306-F309 PolarHBondContact O-N 2.64Å; A307-F309 VanDerWaalsContact C-N 3.34Å; A307-F309 PolarHBondContact O-N 2.87Å; F309-V311 PolarHBondContact O-N 2.91Å; F309-R312 PolarHBondContact O-N 3.12Å; F309-H313 AromaticContact CD2-CD2 3.72Å; F309-H313 AromaticContact CD2-NE2 3.9Å; F309-H313 AromaticContact CE1-CD2 4Å; F309-H313 AromaticContact CE2-CD2 3.48Å; F309-H313 VanDerWaalsContact CE2-CD2 3.48Å; F309-H313 WeakPolarHBondContact CE2-CD2 3.46Å; F309-H313 AromaticContact CE2-NE2 3.39Å; F309-H313 WeakPolarHBondContact CE2-NE2 3.2Å; F309-H313 AromaticContact CZ-CD2 3.63Å; F309-H313 AromaticContact CZ-NE2 3.82Å; F309-H313 PolarHBondContact O-CD2 3.28Å; F309-H313 PolarHBondContact O-N 3.38Å; F309-H313 VanDerWaalsContact O-N 3.08Å; F309-F315 HydrophobicContact CE1-CE2 4.14Å
310M98.5Very high96.9Very high0 Ų064.5 Ų64.50%030%0.296CS..Hα-helixtrans-65.4-41.4-177.4-69.9-17177.700112.9P19 L21 I45 M93 L306 A307 H313 K314 F315 T316P19-M310 HydrophobicContact CB-CE 4.18Å; P19-M310 HydrophobicContact CG-CE 3.52Å; L21-M310 HydrophobicContact CD2-CE 3.58Å; L21-M310 HydrophobicContact CD2-SD 3.53Å; L21-M310 VanDerWaalsContact CD2-SD 3.53Å; I45-M310 HydrophobicContact CD1-SD 3.72Å; M93-M310 HydrophobicContact CB-CE 4.3Å; M93-M310 HydrophobicContact SD-CE 3.94Å; M93-M310 HydrophobicContact SD-CG 3.49Å; M93-M310 WeakPolarHBondContact SD-CG 3.21Å; M93-M310 HydrophobicContact SD-SD 3.64Å; M93-M310 VanDerWaalsContact SD-SD 3.64Å; L306-M310 HydrophobicContact CD1-CG 4.45Å; L306-M310 HydrophobicContact CG-CG 4.33Å; L306-M310 HydrophobicContact CG-SD 4.17Å; L306-M310 WeakPolarHBondContact O-CB 3.36Å; L306-M310 VanDerWaalsContact O-CG 3.28Å; L306-M310 WeakPolarHBondContact O-CG 2.88Å; L306-M310 PolarHBondContact O-N 3.21Å; A307-M310 PolarHBondContact O-N 2.65Å; M310-H313 CarbonylContact O-C 3.57Å; M310-H313 PolarHBondContact O-N 2.98Å; M310-K314 PolarHBondContact O-N 3.02Å; M310-K314 VanDerWaalsContact O-N 3.15Å; M310-F315 HydrophobicContact CB-CB 4.36Å; M310-F315 HydrophobicContact CB-CD2 4.49Å; M310-F315 HydrophobicContact CE-CB 4.07Å; M310-F315 HydrophobicContact CG-CD2 4.44Å; M310-F315 PolarHBondContact O-N 3.32Å; M310-T316 HydrophobicContact CB-CG2 3.8Å; M310-T316 HydrophobicContact CE-CG2 4.32Å
311V97.8Very high95.8Very high41 Ų4164.4 Ų64.425%0.24832%0.318CS..Hα-helixtrans-68.3-42177.1173.40000110.7I45 A307 F309 H313 K314 T316 F318I45-V311 HydrophobicContact CG2-CG2 4.13Å; A307-V311 WeakPolarHBondContact O-CB 3.38Å; A307-V311 WeakPolarHBondContact O-CG2 3.41Å; A307-V311 PolarHBondContact O-N 3.07Å; F309-V311 PolarHBondContact O-N 2.91Å; V311-H313 PolarHBondContact O-N 3.37Å; V311-K314 PolarHBondContact O-N 2.83Å; V311-T316 HydrophobicContact CG2-CG2 4.23Å; V311-F318 HydrophobicContact CB-CD2 4.27Å; V311-F318 HydrophobicContact CB-CE2 3.88Å; V311-F318 HydrophobicContact CB-CZ 4.16Å; V311-F318 HydrophobicContact CG1-CD2 3.9Å; V311-F318 HydrophobicContact CG1-CE2 3.71Å; V311-F318 HydrophobicContact CG1-CZ 4.48Å; V311-F318 HydrophobicContact CG2-CD1 4.1Å; V311-F318 HydrophobicContact CG2-CD2 3.83Å; V311-F318 HydrophobicContact CG2-CE1 4.08Å; V311-F318 HydrophobicContact CG2-CE2 3.79Å; V311-F318 HydrophobicContact CG2-CG 3.99Å; V311-F318 HydrophobicContact CG2-CZ 3.92Å
312R97.8Very high94.6Very high180 Ų18062.3 Ų62.368%0.67931%0.309SS*.Hα-helixtrans-55.2-39.6174.2175.5-178.9178155.63112.1T308 F309 K314T308-R312 WeakPolarHBondContact O-CB 3.44Å; T308-R312 PolarHBondContact O-N 2.9Å; F309-R312 PolarHBondContact O-N 3.12Å; R312-K314 VanDerWaalsContact C-N 3.3Å
313H98.4Very high92.8Very high69 Ų6969.8 Ų69.832%0.31935%0.348SS..THydrogen-bonded Turntrans-86.64.1178.1-75.2-74.4000114.1F309 M310 V311 F315F309-H313 AromaticContact CD2-CD2 3.72Å; F309-H313 AromaticContact CD2-NE2 3.9Å; F309-H313 AromaticContact CE1-CD2 4Å; F309-H313 AromaticContact CE2-CD2 3.48Å; F309-H313 VanDerWaalsContact CE2-CD2 3.48Å; F309-H313 WeakPolarHBondContact CE2-CD2 3.46Å; F309-H313 AromaticContact CE2-NE2 3.39Å; F309-H313 WeakPolarHBondContact CE2-NE2 3.2Å; F309-H313 AromaticContact CZ-CD2 3.63Å; F309-H313 AromaticContact CZ-NE2 3.82Å; F309-H313 PolarHBondContact O-CD2 3.28Å; F309-H313 PolarHBondContact O-N 3.38Å; F309-H313 VanDerWaalsContact O-N 3.08Å; M310-H313 CarbonylContact O-C 3.57Å; M310-H313 PolarHBondContact O-N 2.98Å; V311-H313 PolarHBondContact O-N 3.37Å; H313-F315 HydrophobicContact CB-CD1 4.1Å; H313-F315 HydrophobicContact CB-CD2 3.72Å; H313-F315 HydrophobicContact CB-CE1 3.88Å; H313-F315 HydrophobicContact CB-CE2 3.49Å; H313-F315 VanDerWaalsContact CB-CE2 3.49Å; H313-F315 HydrophobicContact CB-CG 4.04Å; H313-F315 HydrophobicContact CB-CZ 3.59Å; H313-F315 WeakPolarHBondContact O-CD1 3.34Å; H313-F315 PolarHBondContact O-N 3.21Å
314K98.1Very high90.8Very high190 Ų19076.5 Ų76.583%0.82639%0.393SS*.THydrogen-bonded Turntrans57.832.3-179.6-53-178.7179-178.10113.6M310 V311 R312M310-K314 PolarHBondContact O-N 3.02Å; M310-K314 VanDerWaalsContact O-N 3.15Å; V311-K314 PolarHBondContact O-N 2.83Å; R312-K314 VanDerWaalsContact C-N 3.3Å
315F98.3Very high90.5Very high47 Ų4777.5 Ų77.521%0.20640%0.398CS..SBendtrans-80.7-24.7174.9-59.4-29.9000112.5P19 L117 P258 F309 M310 H313P19-F315 WeakPolarHBondContact CD-O 3.43Å; P19-F315 WeakPolarHBondContact CG-O 3.3Å; L117-F315 HydrophobicContact CB-CE1 4.19Å; L117-F315 HydrophobicContact CB-CZ 4.34Å; L117-F315 HydrophobicContact CD1-CB 4.06Å; L117-F315 HydrophobicContact CD1-CD1 3.9Å; L117-F315 HydrophobicContact CD1-CD2 3.4Å; L117-F315 VanDerWaalsContact CD1-CD2 3.4Å; L117-F315 HydrophobicContact CD1-CE1 4.09Å; L117-F315 HydrophobicContact CD1-CE2 3.61Å; L117-F315 HydrophobicContact CD1-CG 3.54Å; L117-F315 HydrophobicContact CD1-CZ 3.93Å; L117-F315 WeakPolarHBondContact O-CZ 2.87Å; P258-F315 HydrophobicContact CB-CE2 4.41Å; P258-F315 HydrophobicContact CB-CZ 4.18Å; P258-F315 HydrophobicContact CG-CZ 3.91Å; F309-F315 HydrophobicContact CE1-CE2 4.14Å; M310-F315 HydrophobicContact CB-CB 4.36Å; M310-F315 HydrophobicContact CB-CD2 4.49Å; M310-F315 HydrophobicContact CE-CB 4.07Å; M310-F315 HydrophobicContact CG-CD2 4.44Å; M310-F315 PolarHBondContact O-N 3.32Å; H313-F315 HydrophobicContact CB-CD1 4.1Å; H313-F315 HydrophobicContact CB-CD2 3.72Å; H313-F315 HydrophobicContact CB-CE1 3.88Å; H313-F315 HydrophobicContact CB-CE2 3.49Å; H313-F315 VanDerWaalsContact CB-CE2 3.49Å; H313-F315 HydrophobicContact CB-CG 4.04Å; H313-F315 HydrophobicContact CB-CZ 3.59Å; H313-F315 WeakPolarHBondContact O-CD1 3.34Å; H313-F315 PolarHBondContact O-N 3.21Å
316T97.6Very high90.1Very high17 Ų1781.5 Ų81.510%0.10442%0.418CS..  trans-159.8-178.2178.9-167.90000109.3I45 S46 M310 V311I45-T316 HydrophobicContact CB-CG2 3.86Å; I45-T316 HydrophobicContact CD1-CG2 3.78Å; I45-T316 HydrophobicContact CG1-CG2 4.41Å; I45-T316 HydrophobicContact CG2-CG2 3.96Å; S46-T316 PolarHBondContact O-OG1 3.04Å; M310-T316 HydrophobicContact CB-CG2 3.8Å; M310-T316 HydrophobicContact CE-CG2 4.32Å; V311-T316 HydrophobicContact CG2-CG2 4.23Å
317E95.3Very high89.6Confident155 Ų15585.9 Ų85.972%0.72444%0.441SS*.  trans-124.4153.4177.1-61.9176.9170.100109.7I45 S46I45-E317 WeakPolarHBondContact CA-O 3.34Å; S46-E317 PolarHBondContact N-O 3.34Å
318F96.3Very high89.1Confident63 Ų6391 Ų9128%0.27647%0.466SS..BIsolated β-bridgetrans-64.6144.8168.4-69.2-65.1000110.1R44 I45 A307 V311 F322 C324R44-F318 WeakPolarHBondContact O-CA 3.42Å; I45-F318 HydrophobicContact CG2-CD1 3.85Å; I45-F318 HydrophobicContact CG2-CE1 4.3Å; A307-F318 HydrophobicContact CB-CE1 3.79Å; V311-F318 HydrophobicContact CB-CD2 4.27Å; V311-F318 HydrophobicContact CB-CE2 3.88Å; V311-F318 HydrophobicContact CB-CZ 4.16Å; V311-F318 HydrophobicContact CG1-CD2 3.9Å; V311-F318 HydrophobicContact CG1-CE2 3.71Å; V311-F318 HydrophobicContact CG1-CZ 4.48Å; V311-F318 HydrophobicContact CG2-CD1 4.1Å; V311-F318 HydrophobicContact CG2-CD2 3.83Å; V311-F318 HydrophobicContact CG2-CE1 4.08Å; V311-F318 HydrophobicContact CG2-CE2 3.79Å; V311-F318 HydrophobicContact CG2-CG 3.99Å; V311-F318 HydrophobicContact CG2-CZ 3.92Å; F318-F322 HydrophobicContact CB-CD1 4.41Å; F318-F322 AromaticContact CD1-CD1 3.39Å; F318-F322 HydrophobicContact CD1-CD1 3.39Å; F318-F322 AromaticContact CD1-CE1 3.81Å; F318-F322 HydrophobicContact CD1-CE1 3.81Å; F318-F322 AromaticContact CE1-CD1 3.76Å; F318-F322 HydrophobicContact CE1-CD1 3.76Å; F318-F322 AromaticContact CE1-CE1 3.66Å; F318-F322 HydrophobicContact CE1-CE1 3.66Å; F318-F322 HydrophobicContact CG-CD1 4.04Å; F318-F322 HydrophobicContact CZ-CE1 4.49Å; F318-C324 HydrophobicContact CZ-CB 4.32Å
319K93.4Very high88.5Confident98 Ų9893.6 Ų93.643%0.42648%0.476SS..PPolyproline II helixtrans-68.8149.1171.2-76.3-173.2170-176.70110.4C42 R44 I45 G321 F322C42-K319 VanDerWaalsContact O-CE 3.25Å; C42-K319 WeakPolarHBondContact O-CE 3.38Å; C42-K319 PolarHBondContact O-NZ 3.09Å; R44-K319 PolarHBondContact O-N 3.42Å; I45-K319 WeakPolarHBondContact O-CE 3.42Å; K319-G321 PolarHBondContact O-N 3.25Å; K319-F322 PolarHBondContact O-N 3.46Å; K319-F322 VanDerWaalsContact O-N 3.1Å
320E82.9Confident87.9Confident205 Ų20599.7 Ų99.796%0.95851%0.508SS*.THydrogen-bonded Turntrans-52.2132.1176.2-69.3-173.9165.600111.1
321G73.1Confident87.1Confident83 Ų83106.9 Ų106.986%0.85654%0.544SS*.THydrogen-bonded Turntrans88-5.9-179.400000115.6K319K319-G321 PolarHBondContact O-N 3.25Å
322F74Confident86.3Confident48 Ų48111.9 Ų111.921%0.21157%0.567CS.*  trans-88.7114.2170.6-171.1-101.7000111R44 F318 K319 C324R44-F322 VanDerWaalsContact CD-CD2 3.45Å; R44-F322 HydrophobicContact CG-CE2 4.47Å; R44-F322 HydrophobicContact CG-CZ 4.48Å; R44-F322 VanDerWaalsContact NE-CE2 3.26Å; F318-F322 HydrophobicContact CB-CD1 4.41Å; F318-F322 AromaticContact CD1-CD1 3.39Å; F318-F322 HydrophobicContact CD1-CD1 3.39Å; F318-F322 AromaticContact CD1-CE1 3.81Å; F318-F322 HydrophobicContact CD1-CE1 3.81Å; F318-F322 AromaticContact CE1-CD1 3.76Å; F318-F322 HydrophobicContact CE1-CD1 3.76Å; F318-F322 AromaticContact CE1-CE1 3.66Å; F318-F322 HydrophobicContact CE1-CE1 3.66Å; F318-F322 HydrophobicContact CG-CD1 4.04Å; F318-F322 HydrophobicContact CZ-CE1 4.49Å; K319-F322 PolarHBondContact O-N 3.46Å; K319-F322 VanDerWaalsContact O-N 3.1Å; F322-C324 HydrophobicContact CE1-CB 4.4Å
323L59.9Low85.3Confident160 Ų160106.3 Ų106.384%0.83856%0.558SS**  trans-107.7122.7171.5-69.2165.9000107.8
324C56.8Low84.1Confident140 Ų140109.6 Ų109.695%0.94658%0.579SS**  trans-73.20176.4-175.50000110.9F318 F322F318-C324 HydrophobicContact CZ-CB 4.32Å; F322-C324 HydrophobicContact CE1-CB 4.4Å

Retrieved 324 of 324 residues in 355.1 ms (Link to these results)

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