A0A096N0P2_PAPAN Loading...

AP complex subunit sigma

AlphaFold DB (A0A2R9CBP2), UniProt , Accession A0A096N0P2, Species PAPAN (Papio anubis, Olive baboon), Gene AP1S3, Length 154 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
1M93.4Very high97.5Very high50 Ų5034.8 Ų34.825%0.24615%0.152CC..  0142.40-172.3-153.9176.500113.4H3 E72 D75 G120 E122M1-H3 PolarHBondContact O-CD2 2.93Å; M1-E72 PolarHBondContact N-OE2 3.41Å; M1-E72 VanDerWaalsContact N-OE2 3.17Å; M1-E72 PolarHBondContact O-N 2.79Å; M1-D75 PolarHBondContact N-OD1 2.89Å; M1-D75 VanDerWaalsContact N-OD1 3.11Å; M1-D75 PolarHBondContact N-OD2 3.31Å; M1-G120 WeakPolarHBondContact CE-O 3.43Å; M1-E122 WeakPolarHBondContact CA-OE1 3.34Å; M1-E122 VanDerWaalsContact CB-OE1 3.27Å; M1-E122 WeakPolarHBondContact CB-OE1 3.36Å
2I98Very high97.5Very high7 Ų734 Ų344%0.03616%0.161CC..EExtended strand (participates in β ladder)trans-76.5120.9168.1-56.6169.1000110.2I5 Y20 C69 A70 I71 I83 I118 G121I2-I5 HydrophobicContact CG2-CD1 4.31Å; I2-I5 HydrophobicContact CG2-CG1 3.78Å; I2-Y20 HydrophobicContact CB-CD2 4.38Å; I2-Y20 HydrophobicContact CG2-CD2 4.08Å; I2-Y20 HydrophobicContact CG2-CE2 4.1Å; I2-Y20 WeakPolarHBondContact O-CB 2.99Å; I2-Y20 VanDerWaalsContact O-CD2 3.31Å; I2-Y20 WeakPolarHBondContact O-CD2 3.5Å; I2-C69 HydrophobicContact CG2-CB 4.3Å; I2-A70 CarbonylContact C-O 3.57Å; I2-A70 WeakPolarHBondContact CA-O 3.5Å; I2-I71 HydrophobicContact CG1-CG2 3.92Å; I2-I83 HydrophobicContact CD1-CG2 4.4Å; I2-I118 HydrophobicContact CD1-CD1 4.21Å; I2-G121 WeakPolarHBondContact CB-O 3.37Å; I2-G121 WeakPolarHBondContact CG1-O 3.48Å; I2-G121 PolarHBondContact N-O 3.02Å; I2-G121 VanDerWaalsContact O-CA 3.3Å; I2-G121 WeakPolarHBondContact O-CA 3.35Å
3H98.3Very high97.5Very high30 Ų3041.2 Ų41.214%0.13919%0.191CC..EExtended strand (participates in β ladder)trans-79.8-41.7179.1-75.9-138.3000112.4M1 Y20 I21 L55 A70 E72M1-H3 PolarHBondContact O-CD2 2.93Å; H3-Y20 PolarHBondContact O-N 2.66Å; H3-I21 HydrophobicContact CB-CD1 4.1Å; H3-I21 HydrophobicContact CB-CG1 4.23Å; H3-I21 HydrophobicContact CB-CG2 4.35Å; H3-I21 PolarHBondContact O-N 2.95Å; H3-L55 HydrophobicContact CB-CD1 4.41Å; H3-A70 HydrophobicContact CB-CB 4.41Å; H3-A70 PolarHBondContact N-O 3.48Å; H3-E72 WeakPolarHBondContact NE2-CG 3.03Å; H3-E72 IonicContact NE2-OE1 2.69Å
4F98.5Very high97.5Very high2 Ų242.7 Ų42.71%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-160.2159.2177.256-97.7000111.8L6 K18 W19 I31 I35 W52 L57 C69 A70F4-L6 HydrophobicContact CD2-CD1 4.14Å; F4-L6 HydrophobicContact CD2-CD2 4.44Å; F4-L6 HydrophobicContact CD2-CG 3.88Å; F4-L6 HydrophobicContact CE2-CD1 4Å; F4-L6 HydrophobicContact CE2-CG 4.23Å; F4-K18 CarbonylContact C-O 3.58Å; F4-K18 WeakPolarHBondContact CA-O 3.41Å; F4-K18 VanDerWaalsContact CB-O 3.22Å; F4-K18 WeakPolarHBondContact CB-O 3.48Å; F4-W19 HydrophobicContact CB-CD2 3.93Å; F4-W19 HydrophobicContact CB-CE3 3.56Å; F4-W19 HydrophobicContact CB-CG 4.45Å; F4-W19 HydrophobicContact CB-CZ3 3.92Å; F4-W19 AromaticContact CD1-CE3 3.69Å; F4-W19 HydrophobicContact CD1-CE3 3.69Å; F4-W19 HydrophobicContact CD1-CH2 4.04Å; F4-W19 AromaticContact CD1-CZ3 3.26Å; F4-W19 HydrophobicContact CD1-CZ3 3.26Å; F4-W19 HydrophobicContact CD2-CZ3 4.42Å; F4-W19 HydrophobicContact CE1-CH2 4.36Å; F4-W19 AromaticContact CE1-CZ3 3.81Å; F4-W19 HydrophobicContact CE1-CZ3 3.81Å; F4-W19 HydrophobicContact CG-CD2 4.48Å; F4-W19 AromaticContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CH2 4.12Å; F4-W19 AromaticContact CG-CZ3 3.61Å; F4-W19 HydrophobicContact CG-CZ3 3.61Å; F4-I31 HydrophobicContact CE1-CG2 4.28Å; F4-I31 HydrophobicContact CZ-CG2 4.03Å; F4-I35 HydrophobicContact CE1-CD1 4.46Å; F4-I35 HydrophobicContact CE2-CD1 3.41Å; F4-I35 VanDerWaalsContact CE2-CD1 3.41Å; F4-I35 HydrophobicContact CZ-CD1 3.24Å; F4-W52 HydrophobicContact CE1-CZ3 4.36Å; F4-W52 HydrophobicContact CZ-CZ3 4.18Å; F4-L57 HydrophobicContact CZ-CD2 4.29Å; F4-C69 WeakPolarHBondContact O-CA 3.42Å; F4-A70 HydrophobicContact CD1-CB 3.96Å; F4-A70 HydrophobicContact CD2-CB 4.05Å; F4-A70 HydrophobicContact CE1-CB 3.42Å; F4-A70 VanDerWaalsContact CE1-CB 3.42Å; F4-A70 HydrophobicContact CE2-CB 3.52Å; F4-A70 HydrophobicContact CG-CB 4.25Å; F4-A70 HydrophobicContact CZ-CB 3.17Å; F4-A70 PolarHBondContact O-N 2.94Å
5I98.6Very high97.6Very high6 Ų643.9 Ų43.93%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-124.8129.5174.6-57.9176000108.1I2 L7 Q17 K18 Y20 C68 L114 I118I2-I5 HydrophobicContact CG2-CD1 4.31Å; I2-I5 HydrophobicContact CG2-CG1 3.78Å; I5-L7 HydrophobicContact CG2-CD1 3.77Å; I5-Q17 CarbonylContact O-C 3.54Å; I5-Q17 WeakPolarHBondContact O-CA 3.46Å; I5-K18 HydrophobicContact CB-CB 4.46Å; I5-K18 PolarHBondContact N-O 3.3Å; I5-K18 PolarHBondContact O-N 2.87Å; I5-Y20 HydrophobicContact CD1-CE2 3.86Å; I5-Y20 HydrophobicContact CG1-CE2 4.02Å; I5-C68 CarbonylContact C-O 3.55Å; I5-C68 WeakPolarHBondContact CA-O 3.44Å; I5-L114 HydrophobicContact CD1-CD1 3.96Å; I5-L114 HydrophobicContact CD1-CD2 4.4Å; I5-I118 HydrophobicContact CD1-CD1 3.69Å
6L98.6Very high97.6Very high0 Ų041.3 Ų41.30%019%0.191CC..EExtended strand (participates in β ladder)trans-122.1131.5176.6-57.1176.9000109.8F4 F8 L14 L16 Q17 W19 T32 I35 C68F4-L6 HydrophobicContact CD2-CD1 4.14Å; F4-L6 HydrophobicContact CD2-CD2 4.44Å; F4-L6 HydrophobicContact CD2-CG 3.88Å; F4-L6 HydrophobicContact CE2-CD1 4Å; F4-L6 HydrophobicContact CE2-CG 4.23Å; L6-F8 HydrophobicContact CB-CD1 4.25Å; L6-F8 HydrophobicContact CB-CE1 4.49Å; L6-L14 HydrophobicContact CB-CD1 4.39Å; L6-L14 HydrophobicContact CD2-CD1 4.21Å; L6-L16 WeakPolarHBondContact CA-O 3.4Å; L6-Q17 HydrophobicContact CD2-CB 3.65Å; L6-W19 HydrophobicContact CD2-CZ2 4.37Å; L6-T32 HydrophobicContact CD1-CG2 4.34Å; L6-I35 HydrophobicContact CD1-CB 4.39Å; L6-I35 HydrophobicContact CD1-CD1 4.37Å; L6-I35 HydrophobicContact CD1-CG2 4.16Å; L6-C68 HydrophobicContact CB-CB 4.42Å; L6-C68 PolarHBondContact N-O 2.89Å; L6-C68 PolarHBondContact O-N 3.33Å
7L98.4Very high97.6Very high0 Ų042.7 Ų42.70%020%0.197CC..EExtended strand (participates in β ladder)trans-113.5127.8166.1-76.755.3000108.5I5 L14 R15 L16 Y66 F67 Y87 I103I5-L7 HydrophobicContact CG2-CD1 3.77Å; L7-L14 WeakPolarHBondContact O-CD1 3.46Å; L7-R15 HydrophobicContact CB-CB 4.28Å; L7-R15 PolarHBondContact O-N 3Å; L7-L16 HydrophobicContact CB-CB 3.9Å; L7-L16 HydrophobicContact CD1-CB 4.24Å; L7-L16 HydrophobicContact CD1-CD2 4.2Å; L7-L16 HydrophobicContact CD2-CB 3.96Å; L7-L16 HydrophobicContact CD2-CD1 4.43Å; L7-L16 HydrophobicContact CG-CB 4.25Å; L7-L16 PolarHBondContact N-O 3.35Å; L7-L16 PolarHBondContact O-N 3.01Å; L7-Y66 VanDerWaalsContact CA-O 3.29Å; L7-Y66 WeakPolarHBondContact CA-O 3.29Å; L7-F67 HydrophobicContact CD1-CD1 3.61Å; L7-F67 HydrophobicContact CD1-CE1 3.95Å; L7-F67 HydrophobicContact CD1-CG 4.32Å; L7-F67 HydrophobicContact CD2-CD1 3.98Å; L7-F67 HydrophobicContact CD2-CE1 3.42Å; L7-F67 VanDerWaalsContact CD2-CE1 3.42Å; L7-F67 HydrophobicContact CD2-CZ 3.8Å; L7-F67 HydrophobicContact CG-CD1 3.57Å; L7-F67 HydrophobicContact CG-CE1 3.56Å; L7-F67 HydrophobicContact CG-CG 4.08Å; L7-F67 HydrophobicContact CG-CZ 4.05Å; L7-Y87 HydrophobicContact CD1-CE1 4.49Å; L7-Y87 HydrophobicContact CD2-CE1 4.23Å; L7-I103 HydrophobicContact CD2-CD1 4.48Å
8F98.6Very high97.7Very high0 Ų043 Ų430%020%0.198CC..EExtended strand (participates in β ladder)trans-145.5152177.954.6-87000112.1L6 K13 L14 V36 I39 L40 Y66 C68L6-F8 HydrophobicContact CB-CD1 4.25Å; L6-F8 HydrophobicContact CB-CE1 4.49Å; F8-K13 CarbonylContact C-O 3.52Å; F8-K13 VanDerWaalsContact CA-O 3.22Å; F8-K13 WeakPolarHBondContact CA-O 3.42Å; F8-L14 HydrophobicContact CB-CD1 4.42Å; F8-V36 HydrophobicContact CB-CG2 4.25Å; F8-V36 HydrophobicContact CD1-CG2 3.78Å; F8-V36 HydrophobicContact CD2-CB 4.47Å; F8-V36 HydrophobicContact CD2-CG1 4.04Å; F8-V36 HydrophobicContact CD2-CG2 3.97Å; F8-V36 HydrophobicContact CE1-CG2 4.06Å; F8-V36 HydrophobicContact CE2-CB 4.47Å; F8-V36 HydrophobicContact CE2-CG1 4.25Å; F8-V36 HydrophobicContact CE2-CG2 4.23Å; F8-V36 HydrophobicContact CG-CG2 3.73Å; F8-V36 HydrophobicContact CZ-CG2 4.27Å; F8-I39 HydrophobicContact CE1-CD1 4.25Å; F8-I39 HydrophobicContact CE2-CB 4.4Å; F8-I39 HydrophobicContact CE2-CG2 4.17Å; F8-I39 HydrophobicContact CZ-CB 3.86Å; F8-I39 HydrophobicContact CZ-CD1 3.85Å; F8-I39 HydrophobicContact CZ-CG1 4.45Å; F8-I39 HydrophobicContact CZ-CG2 3.76Å; F8-L40 HydrophobicContact CD2-CD2 4.43Å; F8-L40 HydrophobicContact CE2-CD2 4.03Å; F8-L40 HydrophobicContact CE2-CG 4.05Å; F8-Y66 HydrophobicContact CD2-CD2 4.41Å; F8-Y66 HydrophobicContact CD2-CG 4.31Å; F8-Y66 VanDerWaalsContact CE2-CB 3.44Å; F8-Y66 HydrophobicContact CE2-CD1 4.35Å; F8-Y66 HydrophobicContact CE2-CD2 4.19Å; F8-Y66 AromaticContact CE2-CG 3.77Å; F8-Y66 HydrophobicContact CE2-CG 3.77Å; F8-Y66 HydrophobicContact CZ-CG 4.21Å; F8-Y66 PolarHBondContact N-O 2.97Å; F8-Y66 PolarHBondContact O-N 3.2Å; F8-C68 HydrophobicContact CE1-CB 4.06Å
9S97.9Very high97.7Very high0 Ų042.3 Ų42.30%019%0.193CC..EExtended strand (participates in β ladder)trans-75.5168.7179.685.10000112Q11 G12 K13 S64 E100S9-Q11 PolarHBondContact O-N 3.17Å; S9-Q11 VanDerWaalsContact O-N 3.14Å; S9-Q11 PolarHBondContact OG-N 2.84Å; S9-Q11 VanDerWaalsContact OG-N 3.12Å; S9-Q11 PolarHBondContact OG-OE1 2.83Å; S9-G12 WeakPolarHBondContact O-CA 3.07Å; S9-G12 PolarHBondContact O-N 3.26Å; S9-K13 PolarHBondContact N-O 3.4Å; S9-K13 PolarHBondContact OG-N 3.39Å; S9-S64 CarbonylContact C-O 3.56Å; S9-E100 WeakPolarHBondContact CB-OE1 3.48Å
10R96.2Very high97.7Very high152 Ų15241.9 Ų41.957%0.57419%0.19SC*.THydrogen-bonded Turntrans-56.3-25.7170.4-175.4174.6176.8155.20.9113.7G12 S64 Y66R10-G12 VanDerWaalsContact C-N 3.27Å; R10-S64 PolarHBondContact N-O 2.99Å; R10-Y66 HydrophobicContact CB-CE2 4.34Å
11Q96.3Very high97.7Very high136 Ų13642 Ų4264%0.63619%0.192SC*.THydrogen-bonded Turntrans-86.25.1174.8-53.683.18.500113S9 K13S9-Q11 PolarHBondContact O-N 3.17Å; S9-Q11 VanDerWaalsContact O-N 3.14Å; S9-Q11 PolarHBondContact OG-N 2.84Å; S9-Q11 VanDerWaalsContact OG-N 3.12Å; S9-Q11 PolarHBondContact OG-OE1 2.83Å; Q11-K13 VanDerWaalsContact C-N 3.31Å; Q11-K13 PolarHBondContact O-N 3.06Å
12G96.9Very high97.9Very high25 Ų2546.1 Ų46.126%0.25822%0.22SC..  trans76.514.1-178.300000114.4S9 R10 L14S9-G12 WeakPolarHBondContact O-CA 3.07Å; S9-G12 PolarHBondContact O-N 3.26Å; R10-G12 VanDerWaalsContact C-N 3.27Å; G12-L14 PolarHBondContact O-N 3.44Å
13K97.8Very high97.8Very high128 Ų12847.6 Ų47.656%0.55723%0.228SC*.  trans-78.2120175.1-66.1-172.7177-176.60109.6F8 S9 Q11F8-K13 CarbonylContact C-O 3.52Å; F8-K13 VanDerWaalsContact CA-O 3.22Å; F8-K13 WeakPolarHBondContact CA-O 3.42Å; S9-K13 PolarHBondContact N-O 3.4Å; S9-K13 PolarHBondContact OG-N 3.39Å; Q11-K13 VanDerWaalsContact C-N 3.31Å; Q11-K13 PolarHBondContact O-N 3.06Å
14L98.1Very high97.8Very high62 Ų6250.1 Ų50.133%0.32525%0.247SC..EExtended strand (participates in β ladder)trans-67.9134.2177.1-165.271000110.5L6 L7 F8 G12 Q17 T32L6-L14 HydrophobicContact CB-CD1 4.39Å; L6-L14 HydrophobicContact CD2-CD1 4.21Å; L7-L14 WeakPolarHBondContact O-CD1 3.46Å; F8-L14 HydrophobicContact CB-CD1 4.42Å; G12-L14 PolarHBondContact O-N 3.44Å; L14-Q17 HydrophobicContact CD2-CB 3.93Å; L14-Q17 HydrophobicContact CD2-CG 3.69Å; L14-T32 HydrophobicContact CD1-CG2 3.83Å; L14-T32 HydrophobicContact CD2-CG2 4.1Å
15R98Very high97.7Very high61 Ų6154 Ų5423%0.2327%0.268CS..EExtended strand (participates in β ladder)trans-111.9-35.9178-54.7-50.8-176.9-175.86112.1L7 L65 E100 I103L7-R15 HydrophobicContact CB-CB 4.28Å; L7-R15 PolarHBondContact O-N 3Å; R15-L65 HydrophobicContact CG-CD2 3.82Å; R15-E100 IonicContact CZ-OE1 2.76Å; R15-E100 VanDerWaalsContact CZ-OE1 3.22Å; R15-E100 IonicContact NE-OE1 2.89Å; R15-E100 PolarHBondContact NE-OE1 3.43Å; R15-E100 IonicContact NH2-OE1 2.74Å; R15-E100 PolarHBondContact NH2-OE1 3.08Å; R15-I103 HydrophobicContact CB-CG2 4.23Å
16L98.3Very high97.7Very high2 Ų262.4 Ų62.41%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-146.2141.5176.7-170.6150.5000109.3L6 L7 K18 A110 Y111 L114L6-L16 WeakPolarHBondContact CA-O 3.4Å; L7-L16 HydrophobicContact CB-CB 3.9Å; L7-L16 HydrophobicContact CD1-CB 4.24Å; L7-L16 HydrophobicContact CD1-CD2 4.2Å; L7-L16 HydrophobicContact CD2-CB 3.96Å; L7-L16 HydrophobicContact CD2-CD1 4.43Å; L7-L16 HydrophobicContact CG-CB 4.25Å; L7-L16 PolarHBondContact N-O 3.35Å; L7-L16 PolarHBondContact O-N 3.01Å; L16-K18 HydrophobicContact CD2-CB 4.18Å; L16-A110 HydrophobicContact CD1-CB 4.09Å; L16-Y111 HydrophobicContact CD1-CD1 4.28Å; L16-Y111 HydrophobicContact CD1-CD2 4.36Å; L16-Y111 HydrophobicContact CD1-CE1 4.28Å; L16-Y111 HydrophobicContact CD1-CE2 4.35Å; L16-Y111 HydrophobicContact CD1-CG 4.32Å; L16-Y111 HydrophobicContact CD2-CE1 4.04Å; L16-Y111 HydrophobicContact CG-CD1 4.23Å; L16-Y111 HydrophobicContact CG-CE1 3.74Å; L16-Y111 HydrophobicContact CG-CE2 4.04Å; L16-L114 HydrophobicContact CD1-CD2 4.39Å; L16-L114 HydrophobicContact CD2-CD2 3.77Å
17Q98.1Very high97.6Very high65 Ų6566.7 Ų66.730%0.30432%0.324SS..EExtended strand (participates in β ladder)trans-138.9115.3166.349.3168.6-1.600110.4I5 L6 L14 Y111I5-Q17 CarbonylContact O-C 3.54Å; I5-Q17 WeakPolarHBondContact O-CA 3.46Å; L6-Q17 HydrophobicContact CD2-CB 3.65Å; L14-Q17 HydrophobicContact CD2-CB 3.93Å; L14-Q17 HydrophobicContact CD2-CG 3.69Å; Q17-Y111 PolarHBondContact N-OH 3.28Å; Q17-Y111 PolarHBondContact O-OH 3.11Å
18K98.3Very high97.6Very high48 Ų4870.2 Ų70.221%0.20934%0.337CS..EExtended strand (participates in β ladder)trans-111.4122.1172.5-170.374.7176.4-163.90108.3F4 I5 L16 Y20 Y111 L114 D115F4-K18 CarbonylContact C-O 3.58Å; F4-K18 WeakPolarHBondContact CA-O 3.41Å; F4-K18 VanDerWaalsContact CB-O 3.22Å; F4-K18 WeakPolarHBondContact CB-O 3.48Å; I5-K18 HydrophobicContact CB-CB 4.46Å; I5-K18 PolarHBondContact N-O 3.3Å; I5-K18 PolarHBondContact O-N 2.87Å; L16-K18 HydrophobicContact CD2-CB 4.18Å; K18-Y20 HydrophobicContact CD-CE1 4.45Å; K18-Y20 HydrophobicContact CG-CD1 4.36Å; K18-Y20 HydrophobicContact CG-CE1 3.71Å; K18-Y20 HydrophobicContact CG-CE2 4.03Å; K18-Y111 HydrophobicContact CD-CD1 4.35Å; K18-Y111 HydrophobicContact CD-CE1 4.46Å; K18-L114 HydrophobicContact CB-CD2 3.74Å; K18-L114 HydrophobicContact CG-CD2 4.04Å; K18-D115 WeakPolarHBondContact CE-OD1 3.27Å; K18-D115 IonicContact NZ-OD1 3.01Å; K18-D115 PolarHBondContact NZ-OD1 3.04Å; K18-D115 IonicContact NZ-OD2 2.66Å; K18-D115 PolarHBondContact NZ-OD2 3.34Å
19W98.4Very high97.6Very high29 Ų2975.3 Ų75.311%0.1136%0.36CS..EExtended strand (participates in β ladder)trans-110.3116.1178.2-64.787.6000108.2F4 L6 L23 R28 I31F4-W19 HydrophobicContact CB-CD2 3.93Å; F4-W19 HydrophobicContact CB-CE3 3.56Å; F4-W19 HydrophobicContact CB-CG 4.45Å; F4-W19 HydrophobicContact CB-CZ3 3.92Å; F4-W19 AromaticContact CD1-CE3 3.69Å; F4-W19 HydrophobicContact CD1-CE3 3.69Å; F4-W19 HydrophobicContact CD1-CH2 4.04Å; F4-W19 AromaticContact CD1-CZ3 3.26Å; F4-W19 HydrophobicContact CD1-CZ3 3.26Å; F4-W19 HydrophobicContact CD2-CZ3 4.42Å; F4-W19 HydrophobicContact CE1-CH2 4.36Å; F4-W19 AromaticContact CE1-CZ3 3.81Å; F4-W19 HydrophobicContact CE1-CZ3 3.81Å; F4-W19 HydrophobicContact CG-CD2 4.48Å; F4-W19 AromaticContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CH2 4.12Å; F4-W19 AromaticContact CG-CZ3 3.61Å; F4-W19 HydrophobicContact CG-CZ3 3.61Å; L6-W19 HydrophobicContact CD2-CZ2 4.37Å; W19-L23 HydrophobicContact CE3-CD1 3.83Å; W19-L23 HydrophobicContact CZ3-CD1 3.61Å; W19-R28 HydrophobicContact CD2-CB 4.44Å; W19-R28 HydrophobicContact CD2-CG 3.85Å; W19-R28 HydrophobicContact CE3-CG 4.24Å; W19-R28 HydrophobicContact CG-CG 4.32Å; W19-R28 HydrophobicContact CH2-CB 4.22Å; W19-R28 HydrophobicContact CH2-CG 4.32Å; W19-R28 HydrophobicContact CZ2-CB 3.62Å; W19-R28 HydrophobicContact CZ2-CG 3.91Å; W19-R28 HydrophobicContact CZ3-CG 4.46Å; W19-I31 HydrophobicContact CH2-CB 3.95Å; W19-I31 HydrophobicContact CH2-CD1 4.36Å; W19-I31 HydrophobicContact CH2-CG2 3.74Å; W19-I31 HydrophobicContact CZ3-CD1 4.38Å; W19-I31 HydrophobicContact CZ3-CG2 4.37Å
20Y98.1Very high97.6Very high35 Ų3582.3 Ų82.314%0.13739%0.39CS..SBendtrans-91.2-15.1176.9-60.7-69.1000112.4I2 H3 I5 K18 I118 G121I2-Y20 HydrophobicContact CB-CD2 4.38Å; I2-Y20 HydrophobicContact CG2-CD2 4.08Å; I2-Y20 HydrophobicContact CG2-CE2 4.1Å; I2-Y20 WeakPolarHBondContact O-CB 2.99Å; I2-Y20 VanDerWaalsContact O-CD2 3.31Å; I2-Y20 WeakPolarHBondContact O-CD2 3.5Å; H3-Y20 PolarHBondContact O-N 2.66Å; I5-Y20 HydrophobicContact CD1-CE2 3.86Å; I5-Y20 HydrophobicContact CG1-CE2 4.02Å; K18-Y20 HydrophobicContact CD-CE1 4.45Å; K18-Y20 HydrophobicContact CG-CD1 4.36Å; K18-Y20 HydrophobicContact CG-CE1 3.71Å; K18-Y20 HydrophobicContact CG-CE2 4.03Å; Y20-I118 HydrophobicContact CE1-CG2 4.18Å; Y20-I118 HydrophobicContact CE2-CG2 4Å; Y20-I118 WeakPolarHBondContact OH-CB 3.3Å; Y20-I118 WeakPolarHBondContact OH-CG2 3.48Å; Y20-G121 VanDerWaalsContact CG-CA 3.5Å; Y20-G121 VanDerWaalsContact CG-N 3.29Å
21I97.2Very high97.7Very high44 Ų4475.6 Ų75.623%0.22637%0.365CS..SBendtrans-101.5149.1169.359.3164.6000111.6H3 L23H3-I21 HydrophobicContact CB-CD1 4.1Å; H3-I21 HydrophobicContact CB-CG1 4.23Å; H3-I21 HydrophobicContact CB-CG2 4.35Å; H3-I21 PolarHBondContact O-N 2.95Å; I21-L23 HydrophobicContact CD1-CD1 3.66Å; I21-L23 HydrophobicContact CD1-CD2 4.2Å; I21-L23 HydrophobicContact CD1-CG 3.87Å; I21-L23 HydrophobicContact CG1-CD1 4.11Å; I21-L23 HydrophobicContact CG1-CG 4.11Å; I21-L23 PolarHBondContact O-N 3.22Å
22T97Very high97.8Very high137 Ų13769.8 Ų69.884%0.8434%0.339SS*.  trans-83.7103.8179.843.40000110.9
23L96.7Very high97.9Very high37 Ų3777.5 Ų77.519%0.19436%0.361CS..  trans-121.9151174.2-63.3174.9000111.6W19 I21 R28 I31W19-L23 HydrophobicContact CE3-CD1 3.83Å; W19-L23 HydrophobicContact CZ3-CD1 3.61Å; I21-L23 HydrophobicContact CD1-CD1 3.66Å; I21-L23 HydrophobicContact CD1-CD2 4.2Å; I21-L23 HydrophobicContact CD1-CG 3.87Å; I21-L23 HydrophobicContact CG1-CD1 4.11Å; I21-L23 HydrophobicContact CG1-CG 4.11Å; I21-L23 PolarHBondContact O-N 3.22Å; L23-R28 HydrophobicContact CB-CG 3.92Å; L23-R28 VanDerWaalsContact O-CZ 3.27Å; L23-R28 PolarHBondContact O-NE 3.11Å; L23-R28 PolarHBondContact O-NH2 3.05Å; L23-I31 HydrophobicContact CD1-CD1 3.86Å
24P97.9Very high97.9Very high83 Ų8374.1 Ų74.154%0.53935%0.347SS..  trans-62.6145.8169.5-20.532.5000112.3K26 E27 R28P24-K26 VanDerWaalsContact C-N 3.26Å; P24-K26 PolarHBondContact O-N 3.1Å; P24-E27 WeakPolarHBondContact O-CA 3.34Å; P24-E27 WeakPolarHBondContact O-CB 3.31Å; P24-E27 PolarHBondContact O-N 3.13Å; P24-R28 PolarHBondContact O-N 2.9Å
25D97Very high97.9Very high84 Ų8471.1 Ų71.145%0.44933%0.331SS..Hα-helixtrans-57.5-36.6-178.6179.567.5000113.3E27 R28 K29D25-E27 VanDerWaalsContact C-N 3.26Å; D25-E27 PolarHBondContact O-N 3.47Å; D25-R28 PolarHBondContact O-N 3.42Å; D25-K29 WeakPolarHBondContact O-CB 3.14Å; D25-K29 WeakPolarHBondContact O-CG 3.22Å; D25-K29 PolarHBondContact O-N 2.97Å; D25-K29 IonicContact OD1-NZ 3.95Å; D25-K29 WeakPolarHBondContact OD2-CD 3.3Å; D25-K29 WeakPolarHBondContact OD2-CE 3.47Å; D25-K29 IonicContact OD2-NZ 3.2Å; D25-K29 PolarHBondContact OD2-NZ 3.07Å
26K97.8Very high98Very high183 Ų18369 Ų6980%0.79633%0.325SS*.Hα-helixtrans-58-40.3174.7-176.4179.5179.2-178.70111.9P24 K30P24-K26 VanDerWaalsContact C-N 3.26Å; P24-K26 PolarHBondContact O-N 3.1Å; K26-K30 PolarHBondContact O-N 2.86Å
27E97.8Very high97.9Very high89 Ų8975.8 Ų75.842%0.41636%0.357SS..Hα-helixtrans-75.6-43.7-179.8-171.7170.8-172.800111.2P24 D25 K29 K30 I31P24-E27 WeakPolarHBondContact O-CA 3.34Å; P24-E27 WeakPolarHBondContact O-CB 3.31Å; P24-E27 PolarHBondContact O-N 3.13Å; D25-E27 VanDerWaalsContact C-N 3.26Å; D25-E27 PolarHBondContact O-N 3.47Å; E27-K29 VanDerWaalsContact C-N 3.31Å; E27-K29 PolarHBondContact O-N 2.92Å; E27-K30 WeakPolarHBondContact O-CB 3.45Å; E27-K30 PolarHBondContact O-N 3.43Å; E27-I31 HydrophobicContact CG-CD1 3.85Å; E27-I31 HydrophobicContact CG-CG1 4.36Å; E27-I31 WeakPolarHBondContact O-CG1 3.4Å; E27-I31 PolarHBondContact O-N 2.8Å
28R98.2Very high97.9Very high74 Ų7475 Ų7528%0.27935%0.354SS..Hα-helixtrans-52.5-49.6172.8-64.2-179.1-163.7-163.42.7111.2W19 L23 P24 D25 K30 I31 T32W19-R28 HydrophobicContact CD2-CB 4.44Å; W19-R28 HydrophobicContact CD2-CG 3.85Å; W19-R28 HydrophobicContact CE3-CG 4.24Å; W19-R28 HydrophobicContact CG-CG 4.32Å; W19-R28 HydrophobicContact CH2-CB 4.22Å; W19-R28 HydrophobicContact CH2-CG 4.32Å; W19-R28 HydrophobicContact CZ2-CB 3.62Å; W19-R28 HydrophobicContact CZ2-CG 3.91Å; W19-R28 HydrophobicContact CZ3-CG 4.46Å; L23-R28 HydrophobicContact CB-CG 3.92Å; L23-R28 VanDerWaalsContact O-CZ 3.27Å; L23-R28 PolarHBondContact O-NE 3.11Å; L23-R28 PolarHBondContact O-NH2 3.05Å; P24-R28 PolarHBondContact O-N 2.9Å; D25-R28 PolarHBondContact O-N 3.42Å; R28-K30 VanDerWaalsContact C-N 3.32Å; R28-K30 PolarHBondContact O-N 2.63Å; R28-I31 PolarHBondContact O-N 2.9Å; R28-T32 WeakPolarHBondContact O-CB 3.45Å; R28-T32 PolarHBondContact O-N 3.09Å; R28-T32 PolarHBondContact O-OG1 2.84Å
29K97.9Very high97.9Very high107 Ų10772.7 Ų72.747%0.46534%0.344SS..Hα-helixtrans-60.4-38.6177.2-75.5172.2176.3162.10113D25 E27 R33D25-K29 WeakPolarHBondContact O-CB 3.14Å; D25-K29 WeakPolarHBondContact O-CG 3.22Å; D25-K29 PolarHBondContact O-N 2.97Å; D25-K29 IonicContact OD1-NZ 3.95Å; D25-K29 WeakPolarHBondContact OD2-CD 3.3Å; D25-K29 WeakPolarHBondContact OD2-CE 3.47Å; D25-K29 IonicContact OD2-NZ 3.2Å; D25-K29 PolarHBondContact OD2-NZ 3.07Å; E27-K29 VanDerWaalsContact C-N 3.31Å; E27-K29 PolarHBondContact O-N 2.92Å; K29-R33 VanDerWaalsContact O-CG 3.3Å; K29-R33 WeakPolarHBondContact O-CG 3.3Å; K29-R33 PolarHBondContact O-N 2.8Å
30K98.3Very high97.9Very high147 Ų14774 Ų7464%0.63935%0.352SS*.Hα-helixtrans-65.9-49.9176.8-176.5-175.6174.2-173.20110.7K26 E27 R28 R33 E34K26-K30 PolarHBondContact O-N 2.86Å; E27-K30 WeakPolarHBondContact O-CB 3.45Å; E27-K30 PolarHBondContact O-N 3.43Å; R28-K30 VanDerWaalsContact C-N 3.32Å; R28-K30 PolarHBondContact O-N 2.63Å; K30-R33 PolarHBondContact O-N 2.99Å; K30-E34 WeakPolarHBondContact O-CB 3.46Å; K30-E34 PolarHBondContact O-N 2.87Å
31I98.4Very high97.8Very high11 Ų1176.8 Ų76.86%0.05638%0.378CS..Hα-helixtrans-61.7-47.4-179.9-67.9169.7000110.7F4 W19 L23 E27 R28 R33 E34 I35 W52F4-I31 HydrophobicContact CE1-CG2 4.28Å; F4-I31 HydrophobicContact CZ-CG2 4.03Å; W19-I31 HydrophobicContact CH2-CB 3.95Å; W19-I31 HydrophobicContact CH2-CD1 4.36Å; W19-I31 HydrophobicContact CH2-CG2 3.74Å; W19-I31 HydrophobicContact CZ3-CD1 4.38Å; W19-I31 HydrophobicContact CZ3-CG2 4.37Å; L23-I31 HydrophobicContact CD1-CD1 3.86Å; E27-I31 HydrophobicContact CG-CD1 3.85Å; E27-I31 HydrophobicContact CG-CG1 4.36Å; E27-I31 WeakPolarHBondContact O-CG1 3.4Å; E27-I31 PolarHBondContact O-N 2.8Å; R28-I31 PolarHBondContact O-N 2.9Å; I31-R33 VanDerWaalsContact C-N 3.32Å; I31-R33 PolarHBondContact O-N 2.9Å; I31-E34 WeakPolarHBondContact O-CB 3.09Å; I31-E34 PolarHBondContact O-N 3.29Å; I31-I35 HydrophobicContact CG2-CD1 3.48Å; I31-I35 VanDerWaalsContact CG2-CD1 3.48Å; I31-I35 HydrophobicContact CG2-CG1 4.19Å; I31-I35 WeakPolarHBondContact O-CG1 3.39Å; I31-I35 PolarHBondContact O-N 2.63Å; I31-W52 HydrophobicContact CB-CH2 4.41Å; I31-W52 HydrophobicContact CD1-CH2 4.37Å; I31-W52 HydrophobicContact CG1-CH2 4.09Å; I31-W52 HydrophobicContact CG1-CZ2 4.43Å; I31-W52 HydrophobicContact CG2-CH2 3.56Å; I31-W52 HydrophobicContact CG2-CZ2 4Å; I31-W52 HydrophobicContact CG2-CZ3 4.44Å
32T98.5Very high97.7Very high14 Ų1478.3 Ų78.39%0.08638%0.38CS..Hα-helixtrans-57.2-45.4178.7-60.70000111.5L6 L14 R28 V36L6-T32 HydrophobicContact CD1-CG2 4.34Å; L14-T32 HydrophobicContact CD1-CG2 3.83Å; L14-T32 HydrophobicContact CD2-CG2 4.1Å; R28-T32 WeakPolarHBondContact O-CB 3.45Å; R28-T32 PolarHBondContact O-N 3.09Å; R28-T32 PolarHBondContact O-OG1 2.84Å; T32-V36 HydrophobicContact CG2-CG2 4.29Å; T32-V36 WeakPolarHBondContact O-CB 3.44Å; T32-V36 WeakPolarHBondContact O-CG2 3.34Å; T32-V36 PolarHBondContact O-N 2.86Å
33R98.3Very high97.3Very high188 Ų18873.9 Ų73.971%0.70936%0.362SS*.Hα-helixtrans-62.7-44.9177.5-72.7175-172.9174.72112K29 K30 I31 Q37K29-R33 VanDerWaalsContact O-CG 3.3Å; K29-R33 WeakPolarHBondContact O-CG 3.3Å; K29-R33 PolarHBondContact O-N 2.8Å; K30-R33 PolarHBondContact O-N 2.99Å; I31-R33 VanDerWaalsContact C-N 3.32Å; I31-R33 PolarHBondContact O-N 2.9Å; R33-Q37 WeakPolarHBondContact O-CB 3.46Å; R33-Q37 PolarHBondContact O-N 3.37Å; R33-Q37 VanDerWaalsContact O-N 3.08Å
34E98.3Very high96.7Very high56 Ų5680.4 Ų80.426%0.26239%0.391SS..Hα-helixtrans-58.4-51178.4-172.1-175.6162.500110.9K30 I31 Q37 I38 W52 K53K30-E34 WeakPolarHBondContact O-CB 3.46Å; K30-E34 PolarHBondContact O-N 2.87Å; I31-E34 WeakPolarHBondContact O-CB 3.09Å; I31-E34 PolarHBondContact O-N 3.29Å; E34-Q37 PolarHBondContact O-N 3.34Å; E34-I38 HydrophobicContact CG-CD1 4.05Å; E34-I38 VanDerWaalsContact O-CG1 3.3Å; E34-I38 WeakPolarHBondContact O-CG1 3.3Å; E34-I38 PolarHBondContact O-N 2.89Å; E34-W52 PolarHBondContact OE1-NE1 2.79Å; E34-K53 WeakPolarHBondContact OE1-CE 3.32Å; E34-K53 IonicContact OE1-NZ 3.86Å; E34-K53 PolarHBondContact OE1-NZ 2.88Å; E34-K53 IonicContact OE2-NZ 3.44Å; E34-K53 PolarHBondContact OE2-NZ 2.81Å
35I98.4Very high96.2Very high0 Ų087.1 Ų87.10%041%0.406CS..Hα-helixtrans-67.1-43.9-177.2-69.1176.5000112.1F4 L6 I31 Q37 I38 I39 W52 L57F4-I35 HydrophobicContact CE1-CD1 4.46Å; F4-I35 HydrophobicContact CE2-CD1 3.41Å; F4-I35 VanDerWaalsContact CE2-CD1 3.41Å; F4-I35 HydrophobicContact CZ-CD1 3.24Å; L6-I35 HydrophobicContact CD1-CB 4.39Å; L6-I35 HydrophobicContact CD1-CD1 4.37Å; L6-I35 HydrophobicContact CD1-CG2 4.16Å; I31-I35 HydrophobicContact CG2-CD1 3.48Å; I31-I35 VanDerWaalsContact CG2-CD1 3.48Å; I31-I35 HydrophobicContact CG2-CG1 4.19Å; I31-I35 WeakPolarHBondContact O-CG1 3.39Å; I31-I35 PolarHBondContact O-N 2.63Å; I35-Q37 VanDerWaalsContact C-N 3.28Å; I35-Q37 PolarHBondContact O-N 3.18Å; I35-I38 PolarHBondContact O-N 3.04Å; I35-I39 HydrophobicContact CG2-CD1 3.63Å; I35-I39 HydrophobicContact CG2-CG1 4.36Å; I35-I39 WeakPolarHBondContact O-CG1 3.4Å; I35-I39 PolarHBondContact O-N 3.36Å; I35-W52 HydrophobicContact CD1-CE3 4.49Å; I35-W52 HydrophobicContact CD1-CH2 4.19Å; I35-W52 HydrophobicContact CD1-CZ2 4.28Å; I35-W52 HydrophobicContact CD1-CZ3 4.29Å; I35-W52 HydrophobicContact CG1-CZ2 4.26Å; I35-L57 HydrophobicContact CD1-CD1 4.34Å; I35-L57 HydrophobicContact CD1-CD2 3.94Å; I35-L57 HydrophobicContact CG1-CD1 4.04Å; I35-L57 HydrophobicContact CG2-CD1 4.12Å
36V98.4Very high96.1Very high16 Ų1686 Ų8610%0.09740%0.402CS..Hα-helixtrans-59.1-43.4176.7169.60000110.3F8 T32 I39 L40F8-V36 HydrophobicContact CB-CG2 4.25Å; F8-V36 HydrophobicContact CD1-CG2 3.78Å; F8-V36 HydrophobicContact CD2-CB 4.47Å; F8-V36 HydrophobicContact CD2-CG1 4.04Å; F8-V36 HydrophobicContact CD2-CG2 3.97Å; F8-V36 HydrophobicContact CE1-CG2 4.06Å; F8-V36 HydrophobicContact CE2-CB 4.47Å; F8-V36 HydrophobicContact CE2-CG1 4.25Å; F8-V36 HydrophobicContact CE2-CG2 4.23Å; F8-V36 HydrophobicContact CG-CG2 3.73Å; F8-V36 HydrophobicContact CZ-CG2 4.27Å; T32-V36 HydrophobicContact CG2-CG2 4.29Å; T32-V36 WeakPolarHBondContact O-CB 3.44Å; T32-V36 WeakPolarHBondContact O-CG2 3.34Å; T32-V36 PolarHBondContact O-N 2.86Å; V36-I39 PolarHBondContact O-N 3.24Å; V36-L40 HydrophobicContact CG1-CD1 3.64Å; V36-L40 HydrophobicContact CG1-CG 4.22Å; V36-L40 VanDerWaalsContact O-CB 3.3Å; V36-L40 WeakPolarHBondContact O-CB 3.48Å; V36-L40 VanDerWaalsContact O-CG 3.24Å; V36-L40 WeakPolarHBondContact O-CG 3.21Å; V36-L40 PolarHBondContact O-N 2.97Å
37Q98.1Very high96Very high145 Ų14580.6 Ų80.668%0.67839%0.387SS*.Hα-helixtrans-64.3-43.5177.2-176.6179-9.100112.1R33 E34 I35 S41R33-Q37 WeakPolarHBondContact O-CB 3.46Å; R33-Q37 PolarHBondContact O-N 3.37Å; R33-Q37 VanDerWaalsContact O-N 3.08Å; E34-Q37 PolarHBondContact O-N 3.34Å; I35-Q37 VanDerWaalsContact C-N 3.28Å; I35-Q37 PolarHBondContact O-N 3.18Å; Q37-S41 WeakPolarHBondContact O-CB 3.46Å; Q37-S41 PolarHBondContact O-N 3.33Å; Q37-S41 VanDerWaalsContact O-N 3.16Å; Q37-S41 PolarHBondContact O-OG 3.03Å
38I97.9Very high95.9Very high47 Ų4777.8 Ų77.824%0.24138%0.377CS..Hα-helixtrans-60.4-50.8177.3-70.9165.7000110.2E34 I35 S41 R42 V50E34-I38 HydrophobicContact CG-CD1 4.05Å; E34-I38 VanDerWaalsContact O-CG1 3.3Å; E34-I38 WeakPolarHBondContact O-CG1 3.3Å; E34-I38 PolarHBondContact O-N 2.89Å; I35-I38 PolarHBondContact O-N 3.04Å; I38-S41 PolarHBondContact O-N 2.69Å; I38-S41 PolarHBondContact O-OG 2.65Å; I38-R42 WeakPolarHBondContact O-CG 3.3Å; I38-V50 HydrophobicContact CG2-CG1 4.13Å
39I97.8Very high95.9Very high1 Ų177 Ų771%0.00538%0.376CS..Hα-helixtrans-69.7-41.8-174.6-68.9171.7000111.8F8 I35 V36 S41 R42 Y59 Y66 C68F8-I39 HydrophobicContact CE1-CD1 4.25Å; F8-I39 HydrophobicContact CE2-CB 4.4Å; F8-I39 HydrophobicContact CE2-CG2 4.17Å; F8-I39 HydrophobicContact CZ-CB 3.86Å; F8-I39 HydrophobicContact CZ-CD1 3.85Å; F8-I39 HydrophobicContact CZ-CG1 4.45Å; F8-I39 HydrophobicContact CZ-CG2 3.76Å; I35-I39 HydrophobicContact CG2-CD1 3.63Å; I35-I39 HydrophobicContact CG2-CG1 4.36Å; I35-I39 WeakPolarHBondContact O-CG1 3.4Å; I35-I39 PolarHBondContact O-N 3.36Å; V36-I39 PolarHBondContact O-N 3.24Å; I39-S41 VanDerWaalsContact C-N 3.27Å; I39-S41 PolarHBondContact O-N 3.08Å; I39-R42 PolarHBondContact O-N 3.46Å; I39-Y59 HydrophobicContact CD1-CD1 4.49Å; I39-Y59 HydrophobicContact CD1-CG 4.09Å; I39-Y59 HydrophobicContact CG1-CD1 4.33Å; I39-Y59 HydrophobicContact CG1-CG 4.18Å; I39-Y59 HydrophobicContact CG2-CD2 3.53Å; I39-Y59 HydrophobicContact CG2-CE2 3.82Å; I39-Y59 HydrophobicContact CG2-CG 4.03Å; I39-Y66 HydrophobicContact CG2-CD1 3.52Å; I39-Y66 HydrophobicContact CG2-CE1 3.92Å; I39-Y66 HydrophobicContact CG2-CG 4.37Å; I39-C68 HydrophobicContact CD1-CB 3.72Å; I39-C68 WeakPolarHBondContact CD1-SG 3.34Å
40L97.2Very high95.9Very high55 Ų5572.6 Ų72.629%0.28836%0.358SS..Hα-helixtrans-69.8-23.3-179.9-68.4-179.6000113.5F8 V36 R42 Y66F8-L40 HydrophobicContact CD2-CD2 4.43Å; F8-L40 HydrophobicContact CE2-CD2 4.03Å; F8-L40 HydrophobicContact CE2-CG 4.05Å; V36-L40 HydrophobicContact CG1-CD1 3.64Å; V36-L40 HydrophobicContact CG1-CG 4.22Å; V36-L40 VanDerWaalsContact O-CB 3.3Å; V36-L40 WeakPolarHBondContact O-CB 3.48Å; V36-L40 VanDerWaalsContact O-CG 3.24Å; V36-L40 WeakPolarHBondContact O-CG 3.21Å; V36-L40 PolarHBondContact O-N 2.97Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-Y66 HydrophobicContact CD2-CD2 3.99Å; L40-Y66 HydrophobicContact CD2-CE1 4.38Å; L40-Y66 HydrophobicContact CD2-CE2 3.63Å
41S96.6Very high95.8Very high95 Ų9572.1 Ų72.166%0.66436%0.362SS*.THydrogen-bonded Turntrans-82.2-8.6175.660.20000113.9Q37 I38 I39Q37-S41 WeakPolarHBondContact O-CB 3.46Å; Q37-S41 PolarHBondContact O-N 3.33Å; Q37-S41 VanDerWaalsContact O-N 3.16Å; Q37-S41 PolarHBondContact O-OG 3.03Å; I38-S41 PolarHBondContact O-N 2.69Å; I38-S41 PolarHBondContact O-OG 2.65Å; I39-S41 VanDerWaalsContact C-N 3.27Å; I39-S41 PolarHBondContact O-N 3.08Å
42R95.7Very high95.8Very high75 Ų7572.5 Ų72.528%0.28336%0.363SS..SBendtrans-81.1141.7-180-72.6173.971.5102.1-9.6112.9I38 I39 L40 T46 S47 F49 Y59I38-R42 WeakPolarHBondContact O-CG 3.3Å; I39-R42 PolarHBondContact O-N 3.46Å; L40-R42 VanDerWaalsContact C-N 3.34Å; R42-T46 PolarHBondContact NE-OG1 3.04Å; R42-S47 PolarHBondContact NH2-O 2.83Å; R42-F49 PolarHBondContact NH2-O 2.83Å; R42-Y59 WeakPolarHBondContact CD-OH 3.4Å; R42-Y59 PolarHBondContact NE-OH 3.4Å
43G87.6Confident95.6Very high44 Ų4478.3 Ų78.345%0.45439%0.387SS..  trans-74.7162.5175.800000113.6R45 T46G43-R45 VanDerWaalsContact C-N 3.27Å; G43-R45 PolarHBondContact O-N 3.46Å; G43-T46 PolarHBondContact O-N 2.99Å; G43-T46 PolarHBondContact O-OG1 2.77Å
44H83.8Confident95.4Very high174 Ų17477.3 Ų77.381%0.80639%0.391SS*.THydrogen-bonded Turntrans-70.6-15.2-17761.3-84.9000115
45R88.9Confident95.4Very high225 Ų22575.8 Ų75.885%0.84938%0.384SS*.THydrogen-bonded Turntrans-985.1179.3-56.5-169.7-177.7-163.1-2.3113.6G43G43-R45 VanDerWaalsContact C-N 3.27Å; G43-R45 PolarHBondContact O-N 3.46Å
46T93.5Very high95.4Very high60 Ų6077.6 Ų77.637%0.36839%0.392SS..SBendtrans-80.8155.6174.662.70000110.1R42 G43 Y59R42-T46 PolarHBondContact NE-OG1 3.04Å; G43-T46 PolarHBondContact O-N 2.99Å; G43-T46 PolarHBondContact O-OG1 2.77Å; T46-Y59 PolarHBondContact OG1-OH 2.87Å; T46-Y59 VanDerWaalsContact OG1-OH 3.1Å
47S95.6Very high95.4Very high69 Ų6976.9 Ų76.948%0.48339%0.388SS..  trans-56.6154.4169.658.10000111.4R42 F49 Y59R42-S47 PolarHBondContact NH2-O 2.83Å; S47-F49 PolarHBondContact O-N 3.06Å; S47-F49 VanDerWaalsContact O-N 3.13Å; S47-F49 PolarHBondContact OG-O 2.81Å; S47-F49 VanDerWaalsContact OG-O 3.08Å; S47-Y59 PolarHBondContact O-OH 3.14Å
48S96.9Very high95.4Very high30 Ų3070 Ų7021%0.2136%0.355CS..SBendtrans-69.97170-91.30000113.8Y59S48-Y59 WeakPolarHBondContact CB-O 3.32Å; S48-Y59 VanDerWaalsContact O-CD1 3.29Å; S48-Y59 WeakPolarHBondContact O-CD1 3.33Å; S48-Y59 PolarHBondContact O-N 3.23Å; S48-Y59 PolarHBondContact OG-O 2.97Å
49F97.8Very high95.4Very high58 Ų5868.6 Ų68.625%0.25435%0.347SS..EExtended strand (participates in β ladder)trans-123.1138.7-173.5-46.7-53.2000110.2R42 S47 L57 V58 E77 L78 L81R42-F49 PolarHBondContact NH2-O 2.83Å; S47-F49 PolarHBondContact O-N 3.06Å; S47-F49 VanDerWaalsContact O-N 3.13Å; S47-F49 PolarHBondContact OG-O 2.81Å; S47-F49 VanDerWaalsContact OG-O 3.08Å; F49-L57 CarbonylContact C-O 3.58Å; F49-L57 VanDerWaalsContact CA-O 3.29Å; F49-L57 WeakPolarHBondContact CA-O 3.17Å; F49-V58 HydrophobicContact CD1-CB 4.31Å; F49-V58 HydrophobicContact CD1-CG1 4.05Å; F49-V58 HydrophobicContact CD1-CG2 3.92Å; F49-V58 HydrophobicContact CE1-CG1 3.81Å; F49-V58 HydrophobicContact CE1-CG2 4.19Å; F49-E77 HydrophobicContact CD1-CB 3.6Å; F49-E77 HydrophobicContact CD1-CG 4.28Å; F49-E77 HydrophobicContact CD2-CB 4.42Å; F49-E77 HydrophobicContact CE1-CB 3.41Å; F49-E77 VanDerWaalsContact CE1-CB 3.41Å; F49-E77 WeakPolarHBondContact CE1-O 3.17Å; F49-E77 HydrophobicContact CE2-CB 4.26Å; F49-E77 HydrophobicContact CG-CB 4.11Å; F49-E77 HydrophobicContact CG-CG 4.47Å; F49-E77 HydrophobicContact CZ-CB 3.76Å; F49-L78 HydrophobicContact CE2-CD2 4.26Å; F49-L78 HydrophobicContact CZ-CD2 3.87Å; F49-L78 HydrophobicContact CZ-CG 4.37Å; F49-L81 HydrophobicContact CE1-CB 4.49Å; F49-L81 HydrophobicContact CZ-CD2 4.48Å
50V97.7Very high95.4Very high15 Ų1572.2 Ų72.29%0.09136%0.363CS..EExtended strand (participates in β ladder)trans-134.1120.9176.9-1660000108.8I38 W52 L57 Y59I38-V50 HydrophobicContact CG2-CG1 4.13Å; V50-W52 PolarHBondContact O-N 2.89Å; V50-L57 HydrophobicContact CB-CB 4.1Å; V50-L57 HydrophobicContact CB-CD1 4.42Å; V50-L57 PolarHBondContact N-O 2.89Å; V50-L57 PolarHBondContact O-N 3.5Å; V50-Y59 HydrophobicContact CG2-CD1 3.95Å; V50-Y59 HydrophobicContact CG2-CE1 3.64Å
51D96.9Very high95.4Very high136 Ų13674.5 Ų74.573%0.72737%0.368SS*.EExtended strand (participates in β ladder)trans-69.9117.7166.7-61.3-49.6000108.5
52W97.3Very high95.4Very high20 Ų2072.7 Ų72.78%0.07635%0.347CS..EExtended strand (participates in β ladder)trans-134.3105.1-177177.473.9000109.9F4 I31 E34 I35 V50 E54 L55 L57F4-W52 HydrophobicContact CE1-CZ3 4.36Å; F4-W52 HydrophobicContact CZ-CZ3 4.18Å; I31-W52 HydrophobicContact CB-CH2 4.41Å; I31-W52 HydrophobicContact CD1-CH2 4.37Å; I31-W52 HydrophobicContact CG1-CH2 4.09Å; I31-W52 HydrophobicContact CG1-CZ2 4.43Å; I31-W52 HydrophobicContact CG2-CH2 3.56Å; I31-W52 HydrophobicContact CG2-CZ2 4Å; I31-W52 HydrophobicContact CG2-CZ3 4.44Å; E34-W52 PolarHBondContact OE1-NE1 2.79Å; I35-W52 HydrophobicContact CD1-CE3 4.49Å; I35-W52 HydrophobicContact CD1-CH2 4.19Å; I35-W52 HydrophobicContact CD1-CZ2 4.28Å; I35-W52 HydrophobicContact CD1-CZ3 4.29Å; I35-W52 HydrophobicContact CG1-CZ2 4.26Å; V50-W52 PolarHBondContact O-N 2.89Å; W52-E54 PolarHBondContact O-N 3.21Å; W52-L55 CarbonylContact C-O 3.41Å; W52-L55 HydrophobicContact CE3-CB 4.35Å; W52-L55 HydrophobicContact CE3-CD1 4.48Å; W52-L55 HydrophobicContact CZ3-CD1 4.13Å; W52-L55 PolarHBondContact N-O 2.99Å; W52-L55 CarbonylContact O-C 3.51Å; W52-L55 PolarHBondContact O-N 2.9Å; W52-L57 HydrophobicContact CB-CD1 3.68Å; W52-L57 HydrophobicContact CB-CD2 4.43Å; W52-L57 HydrophobicContact CB-CG 3.7Å; W52-L57 HydrophobicContact CD2-CD1 4.34Å; W52-L57 HydrophobicContact CD2-CD2 4.45Å; W52-L57 HydrophobicContact CE3-CD2 4.05Å; W52-L57 HydrophobicContact CG-CD1 3.89Å; W52-L57 HydrophobicContact CG-CG 4.24Å
53K94.6Very high95.3Very high136 Ų13673.3 Ų73.359%0.59137%0.368SS*.THydrogen-bonded Turntrans57-130.2-173.8-55.9173.4-177160.70109.1E34 L55E34-K53 WeakPolarHBondContact OE1-CE 3.32Å; E34-K53 IonicContact OE1-NZ 3.86Å; E34-K53 PolarHBondContact OE1-NZ 2.88Å; E34-K53 IonicContact OE2-NZ 3.44Å; E34-K53 PolarHBondContact OE2-NZ 2.81Å; K53-L55 VanDerWaalsContact C-N 3.29Å
54E95.1Very high95.6Very high166 Ų16673.1 Ų73.178%0.77636%0.36SS*.THydrogen-bonded Turntrans-91.612.4178.5-60.7-178.9173.200112.7W52 N73W52-E54 PolarHBondContact O-N 3.21Å; E54-N73 PolarHBondContact O-ND2 3.41Å; E54-N73 PolarHBondContact O-OD1 2.97Å
55L97.6Very high96.2Very high25 Ų2565.3 Ų65.313%0.13132%0.324CS..EExtended strand (participates in β ladder)trans-122.7162179.6-60.3177.4000111.1H3 W52 K53 A70H3-L55 HydrophobicContact CB-CD1 4.41Å; W52-L55 CarbonylContact C-O 3.41Å; W52-L55 HydrophobicContact CE3-CB 4.35Å; W52-L55 HydrophobicContact CE3-CD1 4.48Å; W52-L55 HydrophobicContact CZ3-CD1 4.13Å; W52-L55 PolarHBondContact N-O 2.99Å; W52-L55 CarbonylContact O-C 3.51Å; W52-L55 PolarHBondContact O-N 2.9Å; K53-L55 VanDerWaalsContact C-N 3.29Å; L55-A70 HydrophobicContact CD1-CB 4.2Å
56K98.1Very high96.7Very high38 Ų3855.9 Ų55.917%0.16529%0.288CS..EExtended strand (participates in β ladder)trans-106.9127170.6-65.2175.3178.9172.40109.4A70 I71 N73 E77K56-A70 WeakPolarHBondContact O-CA 3.37Å; K56-I71 HydrophobicContact CB-CG1 3.95Å; K56-I71 PolarHBondContact N-O 3.1Å; K56-I71 WeakPolarHBondContact O-CG1 3.42Å; K56-I71 PolarHBondContact O-N 2.99Å; K56-N73 PolarHBondContact NZ-O 3.19Å; K56-E77 HydrophobicContact CD-CG 3.97Å; K56-E77 WeakPolarHBondContact CD-OE1 3.16Å; K56-E77 WeakPolarHBondContact CE-OE1 3.35Å; K56-E77 IonicContact NZ-OE1 2.65Å; K56-E77 PolarHBondContact NZ-OE1 2.87Å
57L98.5Very high96.9Very high0 Ų053.3 Ų53.30%027%0.272CS..EExtended strand (participates in β ladder)trans-89.7124.9170.8-54.1176.9000109.3F4 I35 F49 V50 W52 C69 A70F4-L57 HydrophobicContact CZ-CD2 4.29Å; I35-L57 HydrophobicContact CD1-CD1 4.34Å; I35-L57 HydrophobicContact CD1-CD2 3.94Å; I35-L57 HydrophobicContact CG1-CD1 4.04Å; I35-L57 HydrophobicContact CG2-CD1 4.12Å; F49-L57 CarbonylContact C-O 3.58Å; F49-L57 VanDerWaalsContact CA-O 3.29Å; F49-L57 WeakPolarHBondContact CA-O 3.17Å; V50-L57 HydrophobicContact CB-CB 4.1Å; V50-L57 HydrophobicContact CB-CD1 4.42Å; V50-L57 PolarHBondContact N-O 2.89Å; V50-L57 PolarHBondContact O-N 3.5Å; W52-L57 HydrophobicContact CB-CD1 3.68Å; W52-L57 HydrophobicContact CB-CD2 4.43Å; W52-L57 HydrophobicContact CB-CG 3.7Å; W52-L57 HydrophobicContact CD2-CD1 4.34Å; W52-L57 HydrophobicContact CD2-CD2 4.45Å; W52-L57 HydrophobicContact CE3-CD2 4.05Å; W52-L57 HydrophobicContact CG-CD1 3.89Å; W52-L57 HydrophobicContact CG-CG 4.24Å; L57-C69 CarbonylContact C-O 3.46Å; L57-C69 WeakPolarHBondContact CA-O 3.5Å; L57-A70 HydrophobicContact CD2-CB 3.64Å
58V98.6Very high97Very high0 Ų050 Ų500%025%0.249CC..EExtended strand (participates in β ladder)trans-107.9118.1172.3-179.50000108.1F49 C68 C69 I71 E77 T80 L81F49-V58 HydrophobicContact CD1-CB 4.31Å; F49-V58 HydrophobicContact CD1-CG1 4.05Å; F49-V58 HydrophobicContact CD1-CG2 3.92Å; F49-V58 HydrophobicContact CE1-CG1 3.81Å; F49-V58 HydrophobicContact CE1-CG2 4.19Å; V58-C68 CarbonylContact O-C 3.6Å; V58-C68 WeakPolarHBondContact O-CA 3.39Å; V58-C69 PolarHBondContact N-O 2.84Å; V58-C69 PolarHBondContact O-N 3.27Å; V58-I71 HydrophobicContact CG2-CD1 3.58Å; V58-I71 HydrophobicContact CG2-CG1 4.16Å; V58-E77 HydrophobicContact CG2-CB 4.07Å; V58-E77 HydrophobicContact CG2-CG 4.47Å; V58-T80 HydrophobicContact CB-CG2 3.81Å; V58-T80 HydrophobicContact CG1-CG2 4.02Å; V58-T80 HydrophobicContact CG2-CG2 3.87Å; V58-L81 HydrophobicContact CG1-CB 4.01Å; V58-L81 HydrophobicContact CG1-CD1 3.8Å
59Y98.3Very high97.1Very high18 Ų1848.6 Ų48.67%0.07124%0.24CC..EExtended strand (participates in β ladder)trans-133.3146-178.379.1-80000113.8I39 R42 T46 S47 S48 V50 Y66 F67I39-Y59 HydrophobicContact CD1-CD1 4.49Å; I39-Y59 HydrophobicContact CD1-CG 4.09Å; I39-Y59 HydrophobicContact CG1-CD1 4.33Å; I39-Y59 HydrophobicContact CG1-CG 4.18Å; I39-Y59 HydrophobicContact CG2-CD2 3.53Å; I39-Y59 HydrophobicContact CG2-CE2 3.82Å; I39-Y59 HydrophobicContact CG2-CG 4.03Å; R42-Y59 WeakPolarHBondContact CD-OH 3.4Å; R42-Y59 PolarHBondContact NE-OH 3.4Å; T46-Y59 PolarHBondContact OG1-OH 2.87Å; T46-Y59 VanDerWaalsContact OG1-OH 3.1Å; S47-Y59 PolarHBondContact O-OH 3.14Å; S48-Y59 WeakPolarHBondContact CB-O 3.32Å; S48-Y59 VanDerWaalsContact O-CD1 3.29Å; S48-Y59 WeakPolarHBondContact O-CD1 3.33Å; S48-Y59 PolarHBondContact O-N 3.23Å; S48-Y59 PolarHBondContact OG-O 2.97Å; V50-Y59 HydrophobicContact CG2-CD1 3.95Å; V50-Y59 HydrophobicContact CG2-CE1 3.64Å; Y59-Y66 HydrophobicContact CD2-CD1 4.38Å; Y59-F67 CarbonylContact C-O 3.58Å; Y59-F67 WeakPolarHBondContact CA-O 3.47Å; Y59-F67 WeakPolarHBondContact CB-O 3.42Å
60K97.7Very high97.2Very high78 Ų7845.9 Ų45.934%0.33923%0.227SC..EExtended strand (participates in β ladder)trans-140.7136.5174.5-169.166.817475.60110.5Y62 F67 L81 V84K60-Y62 HydrophobicContact CB-CD2 4.35Å; K60-Y62 HydrophobicContact CB-CE2 3.72Å; K60-Y62 HydrophobicContact CG-CD2 4.01Å; K60-Y62 HydrophobicContact CG-CE2 3.34Å; K60-F67 PolarHBondContact N-O 3.03Å; K60-F67 PolarHBondContact O-N 3.5Å; K60-L81 HydrophobicContact CB-CD1 3.89Å; K60-L81 HydrophobicContact CD-CD1 4.39Å; K60-L81 HydrophobicContact CG-CD1 4.47Å; K60-V84 HydrophobicContact CB-CG1 4.31Å
61R96.8Very high97.2Very high103 Ų10345.2 Ų45.239%0.38922%0.223SC..EExtended strand (participates in β ladder)trans-91.8131.8171.4-172-174.4169.9-158.8-13.5110.4A63 L65 Y66R61-A63 VanDerWaalsContact CZ-O 3.3Å; R61-A63 PolarHBondContact NE-O 3.34Å; R61-A63 PolarHBondContact NH2-O 3.2Å; R61-L65 CarbonylContact C-O 3.59Å; R61-L65 WeakPolarHBondContact CA-O 3.4Å; R61-L65 WeakPolarHBondContact CG-O 3.32Å; R61-Y66 HydrophobicContact CB-CD1 4.08Å; R61-Y66 HydrophobicContact CB-CE1 3.99Å; R61-Y66 HydrophobicContact CG-CD1 4.34Å; R61-Y66 HydrophobicContact CG-CD2 4.32Å; R61-Y66 HydrophobicContact CG-CE1 4.11Å; R61-Y66 HydrophobicContact CG-CE2 4.05Å; R61-Y66 HydrophobicContact CG-CG 4.45Å
62Y96.2Very high97.2Very high56 Ų5641.4 Ų41.422%0.2220%0.201CC..EExtended strand (participates in β ladder)trans-125.7115.3169.7-67-90.5000108.1K60 S64 L65 F67 V84 H85 V88K60-Y62 HydrophobicContact CB-CD2 4.35Å; K60-Y62 HydrophobicContact CB-CE2 3.72Å; K60-Y62 HydrophobicContact CG-CD2 4.01Å; K60-Y62 HydrophobicContact CG-CE2 3.34Å; Y62-S64 PolarHBondContact O-N 3.16Å; Y62-S64 VanDerWaalsContact O-N 3.11Å; Y62-L65 PolarHBondContact N-O 2.92Å; Y62-L65 PolarHBondContact O-N 3.49Å; Y62-L65 VanDerWaalsContact O-O 3.12Å; Y62-F67 AromaticContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CE2 4.19Å; Y62-V84 HydrophobicContact CE2-CG1 4.1Å; Y62-H85 AromaticContact CE1-ND1 3.7Å; Y62-H85 AromaticContact CZ-ND1 3.69Å; Y62-H85 WeakPolarHBondContact OH-CA 3.49Å; Y62-H85 WeakPolarHBondContact OH-CB 3.37Å; Y62-H85 PolarHBondContact OH-ND1 2.9Å; Y62-V88 HydrophobicContact CD1-CG1 4.17Å; Y62-V88 HydrophobicContact CD2-CG2 3.86Å; Y62-V88 HydrophobicContact CE1-CG1 4.37Å; Y62-V88 HydrophobicContact CE2-CG2 3.86Å; Y62-V88 HydrophobicContact CG-CG1 4.4Å; Y62-V88 HydrophobicContact CG-CG2 4.24Å
63A94.1Very high97.1Very high88 Ų8844.6 Ų44.673%0.72722%0.22SC*.THydrogen-bonded Turntrans49.8-113.1-173.200000113.6R61R61-A63 VanDerWaalsContact CZ-O 3.3Å; R61-A63 PolarHBondContact NE-O 3.34Å; R61-A63 PolarHBondContact NH2-O 3.2Å
64S93.6Very high97.1Very high41 Ų4145.6 Ų45.629%0.28723%0.227SC..THydrogen-bonded Turntrans-92.1-8.3177.556.70000114.2S9 R10 Y62 E100S9-S64 CarbonylContact C-O 3.56Å; R10-S64 PolarHBondContact N-O 2.99Å; Y62-S64 PolarHBondContact O-N 3.16Å; Y62-S64 VanDerWaalsContact O-N 3.11Å; S64-E100 WeakPolarHBondContact CB-OE2 3.4Å; S64-E100 PolarHBondContact OG-OE2 3.03Å
65L97.1Very high97.2Very high10 Ų1039.6 Ų39.65%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-101.4143.2-175.2-72.4173.8000112.5R15 R61 Y62 F67 E100 I103R15-L65 HydrophobicContact CG-CD2 3.82Å; R61-L65 CarbonylContact C-O 3.59Å; R61-L65 WeakPolarHBondContact CA-O 3.4Å; R61-L65 WeakPolarHBondContact CG-O 3.32Å; Y62-L65 PolarHBondContact N-O 2.92Å; Y62-L65 PolarHBondContact O-N 3.49Å; Y62-L65 VanDerWaalsContact O-O 3.12Å; L65-F67 HydrophobicContact CB-CD2 4.42Å; L65-F67 HydrophobicContact CB-CE2 3.88Å; L65-F67 HydrophobicContact CD1-CE2 4.41Å; L65-E100 HydrophobicContact CD1-CB 3.92Å; L65-E100 HydrophobicContact CD1-CG 4.27Å; L65-E100 HydrophobicContact CD2-CB 4.29Å; L65-E100 HydrophobicContact CD2-CG 3.82Å; L65-E100 HydrophobicContact CG-CB 3.98Å; L65-E100 HydrophobicContact CG-CG 4.09Å; L65-I103 HydrophobicContact CD1-CD1 3.71Å
66Y98.3Very high97.1Very high26 Ų2642.6 Ų42.610%0.10222%0.216CC..EExtended strand (participates in β ladder)trans-110.3128.6170.2-70.7-103000108.4L7 F8 R10 I39 L40 Y59 R61L7-Y66 VanDerWaalsContact CA-O 3.29Å; L7-Y66 WeakPolarHBondContact CA-O 3.29Å; F8-Y66 HydrophobicContact CD2-CD2 4.41Å; F8-Y66 HydrophobicContact CD2-CG 4.31Å; F8-Y66 VanDerWaalsContact CE2-CB 3.44Å; F8-Y66 HydrophobicContact CE2-CD1 4.35Å; F8-Y66 HydrophobicContact CE2-CD2 4.19Å; F8-Y66 AromaticContact CE2-CG 3.77Å; F8-Y66 HydrophobicContact CE2-CG 3.77Å; F8-Y66 HydrophobicContact CZ-CG 4.21Å; F8-Y66 PolarHBondContact N-O 2.97Å; F8-Y66 PolarHBondContact O-N 3.2Å; R10-Y66 HydrophobicContact CB-CE2 4.34Å; I39-Y66 HydrophobicContact CG2-CD1 3.52Å; I39-Y66 HydrophobicContact CG2-CE1 3.92Å; I39-Y66 HydrophobicContact CG2-CG 4.37Å; L40-Y66 HydrophobicContact CD2-CD2 3.99Å; L40-Y66 HydrophobicContact CD2-CE1 4.38Å; L40-Y66 HydrophobicContact CD2-CE2 3.63Å; Y59-Y66 HydrophobicContact CD2-CD1 4.38Å; R61-Y66 HydrophobicContact CB-CD1 4.08Å; R61-Y66 HydrophobicContact CB-CE1 3.99Å; R61-Y66 HydrophobicContact CG-CD1 4.34Å; R61-Y66 HydrophobicContact CG-CD2 4.32Å; R61-Y66 HydrophobicContact CG-CE1 4.11Å; R61-Y66 HydrophobicContact CG-CE2 4.05Å; R61-Y66 HydrophobicContact CG-CG 4.45Å
67F98.6Very high97.1Very high6 Ų643.2 Ų43.23%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-106.3130.1171.4-69.5-111.2000107L7 Y59 K60 Y62 L65 V84 Y87 V88 L91L7-F67 HydrophobicContact CD1-CD1 3.61Å; L7-F67 HydrophobicContact CD1-CE1 3.95Å; L7-F67 HydrophobicContact CD1-CG 4.32Å; L7-F67 HydrophobicContact CD2-CD1 3.98Å; L7-F67 HydrophobicContact CD2-CE1 3.42Å; L7-F67 VanDerWaalsContact CD2-CE1 3.42Å; L7-F67 HydrophobicContact CD2-CZ 3.8Å; L7-F67 HydrophobicContact CG-CD1 3.57Å; L7-F67 HydrophobicContact CG-CE1 3.56Å; L7-F67 HydrophobicContact CG-CG 4.08Å; L7-F67 HydrophobicContact CG-CZ 4.05Å; Y59-F67 CarbonylContact C-O 3.58Å; Y59-F67 WeakPolarHBondContact CA-O 3.47Å; Y59-F67 WeakPolarHBondContact CB-O 3.42Å; K60-F67 PolarHBondContact N-O 3.03Å; K60-F67 PolarHBondContact O-N 3.5Å; Y62-F67 AromaticContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CE2 4.19Å; L65-F67 HydrophobicContact CB-CD2 4.42Å; L65-F67 HydrophobicContact CB-CE2 3.88Å; L65-F67 HydrophobicContact CD1-CE2 4.41Å; F67-V84 HydrophobicContact CB-CG1 3.46Å; F67-V84 VanDerWaalsContact CB-CG1 3.46Å; F67-V84 HydrophobicContact CD1-CG1 4.28Å; F67-V84 HydrophobicContact CG-CG1 4.03Å; F67-Y87 HydrophobicContact CD1-CD1 4.18Å; F67-Y87 AromaticContact CE1-CD1 3.85Å; F67-Y87 HydrophobicContact CE1-CD1 3.85Å; F67-Y87 AromaticContact CE1-CE1 3.99Å; F67-Y87 HydrophobicContact CE1-CE1 3.99Å; F67-V88 HydrophobicContact CD1-CG2 4.16Å; F67-V88 HydrophobicContact CD2-CG2 4.32Å; F67-V88 HydrophobicContact CE1-CG2 3.73Å; F67-V88 HydrophobicContact CE2-CG2 3.93Å; F67-V88 HydrophobicContact CG-CG2 4.45Å; F67-V88 HydrophobicContact CZ-CG2 3.63Å; F67-L91 HydrophobicContact CE1-CD1 4.2Å; F67-L91 HydrophobicContact CZ-CD1 4.3Å
68C98.6Very high97.1Very high0 Ų048.8 Ų48.80%025%0.249CC..EExtended strand (participates in β ladder)trans-135.4131.1-179.2178.50000109.6I5 L6 F8 I39 V58I5-C68 CarbonylContact C-O 3.55Å; I5-C68 WeakPolarHBondContact CA-O 3.44Å; L6-C68 HydrophobicContact CB-CB 4.42Å; L6-C68 PolarHBondContact N-O 2.89Å; L6-C68 PolarHBondContact O-N 3.33Å; F8-C68 HydrophobicContact CE1-CB 4.06Å; I39-C68 HydrophobicContact CD1-CB 3.72Å; I39-C68 WeakPolarHBondContact CD1-SG 3.34Å; V58-C68 CarbonylContact O-C 3.6Å; V58-C68 WeakPolarHBondContact O-CA 3.39Å
69C98.5Very high97.1Very high1 Ų153.2 Ų53.21%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-115.5146168.6-58.30000109I2 F4 L57 V58 I71 T80 V84I2-C69 HydrophobicContact CG2-CB 4.3Å; F4-C69 WeakPolarHBondContact O-CA 3.42Å; L57-C69 CarbonylContact C-O 3.46Å; L57-C69 WeakPolarHBondContact CA-O 3.5Å; V58-C69 PolarHBondContact N-O 2.84Å; V58-C69 PolarHBondContact O-N 3.27Å; C69-I71 HydrophobicContact CB-CG2 4.47Å; C69-T80 HydrophobicContact CB-CG2 3.87Å; C69-V84 WeakPolarHBondContact SG-CG2 3.42Å
70A98.5Very high97.1Very high0 Ų052.7 Ų52.70%027%0.271CS..EExtended strand (participates in β ladder)trans-107.7127.4163.900000109.2I2 H3 F4 L55 K56 L57I2-A70 CarbonylContact C-O 3.57Å; I2-A70 WeakPolarHBondContact CA-O 3.5Å; H3-A70 HydrophobicContact CB-CB 4.41Å; H3-A70 PolarHBondContact N-O 3.48Å; F4-A70 HydrophobicContact CD1-CB 3.96Å; F4-A70 HydrophobicContact CD2-CB 4.05Å; F4-A70 HydrophobicContact CE1-CB 3.42Å; F4-A70 VanDerWaalsContact CE1-CB 3.42Å; F4-A70 HydrophobicContact CE2-CB 3.52Å; F4-A70 HydrophobicContact CG-CB 4.25Å; F4-A70 HydrophobicContact CZ-CB 3.17Å; F4-A70 PolarHBondContact O-N 2.94Å; L55-A70 HydrophobicContact CD1-CB 4.2Å; K56-A70 WeakPolarHBondContact O-CA 3.37Å; L57-A70 HydrophobicContact CD2-CB 3.64Å
71I98.3Very high97.1Very high1 Ų150.9 Ų50.91%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-126161.8-176.764.9178.7000110.8I2 K56 V58 C69 D75 E77 T80I2-I71 HydrophobicContact CG1-CG2 3.92Å; K56-I71 HydrophobicContact CB-CG1 3.95Å; K56-I71 PolarHBondContact N-O 3.1Å; K56-I71 WeakPolarHBondContact O-CG1 3.42Å; K56-I71 PolarHBondContact O-N 2.99Å; V58-I71 HydrophobicContact CG2-CD1 3.58Å; V58-I71 HydrophobicContact CG2-CG1 4.16Å; C69-I71 HydrophobicContact CB-CG2 4.47Å; I71-D75 HydrophobicContact CB-CB 4.05Å; I71-D75 HydrophobicContact CD1-CB 3.89Å; I71-D75 HydrophobicContact CG1-CB 4.23Å; I71-E77 HydrophobicContact CD1-CB 4.49Å; I71-E77 HydrophobicContact CD1-CG 4.21Å; I71-T80 HydrophobicContact CD1-CG2 4.29Å; I71-T80 WeakPolarHBondContact CD1-OG1 3.44Å; I71-T80 HydrophobicContact CG2-CG2 3.65Å
72E97.4Very high97.1Very high57 Ų5751.3 Ų51.327%0.26627%0.271SS..EExtended strand (participates in β ladder)trans-71.4157175.5-64.7176.8152.500110.9M1 H3 Q74 D75M1-E72 PolarHBondContact N-OE2 3.41Å; M1-E72 VanDerWaalsContact N-OE2 3.17Å; M1-E72 PolarHBondContact O-N 2.79Å; H3-E72 WeakPolarHBondContact NE2-CG 3.03Å; H3-E72 IonicContact NE2-OE1 2.69Å; E72-Q74 HydrophobicContact CB-CG 4.11Å; E72-Q74 PolarHBondContact O-N 3.48Å; E72-Q74 VanDerWaalsContact O-N 3.1Å; E72-Q74 PolarHBondContact OE2-NE2 2.92Å; E72-D75 PolarHBondContact N-OD2 3.5Å; E72-D75 VanDerWaalsContact N-OD2 3.09Å; E72-D75 WeakPolarHBondContact O-CB 3.28Å; E72-D75 PolarHBondContact O-N 2.78Å
73N94.3Very high97.2Very high86 Ų8649.7 Ų49.746%0.4627%0.266SS..THydrogen-bonded Turntrans-63.5-22-175.8-63.8-37.3000114.2E54 K56E54-N73 PolarHBondContact O-ND2 3.41Å; E54-N73 PolarHBondContact O-OD1 2.97Å; K56-N73 PolarHBondContact NZ-O 3.19Å
74Q95.4Very high97.4Very high158 Ų15845.7 Ų45.774%0.73823%0.232SC*.THydrogen-bonded Turntrans-83.3-15.3178.864.1-173.7-3.300113.6E72E72-Q74 HydrophobicContact CB-CG 4.11Å; E72-Q74 PolarHBondContact O-N 3.48Å; E72-Q74 VanDerWaalsContact O-N 3.1Å; E72-Q74 PolarHBondContact OE2-NE2 2.92Å
75D96.3Very high97.5Very high39 Ų3947.7 Ų47.721%0.20924%0.237CC..SBendtrans-78.4153.7-178.1-66.8-38.9000111.8M1 I71 E72 E77M1-D75 PolarHBondContact N-OD1 2.89Å; M1-D75 VanDerWaalsContact N-OD1 3.11Å; M1-D75 PolarHBondContact N-OD2 3.31Å; I71-D75 HydrophobicContact CB-CB 4.05Å; I71-D75 HydrophobicContact CD1-CB 3.89Å; I71-D75 HydrophobicContact CG1-CB 4.23Å; E72-D75 PolarHBondContact N-OD2 3.5Å; E72-D75 VanDerWaalsContact N-OD2 3.09Å; E72-D75 WeakPolarHBondContact O-CB 3.28Å; E72-D75 PolarHBondContact O-N 2.78Å; D75-E77 PolarHBondContact O-N 3.3Å
76N97.1Very high97.6Very high88 Ų8849.9 Ų49.947%0.47124%0.244SC..  trans-81.3117.2178.9-174.2-41.4000111L78 L79 T80N76-L78 PolarHBondContact O-N 2.82Å; N76-L78 WeakPolarHBondContact OD1-CB 3.24Å; N76-L78 PolarHBondContact OD1-N 3.13Å; N76-L79 HydrophobicContact CB-CB 3.92Å; N76-L79 PolarHBondContact O-N 3.08Å; N76-L79 PolarHBondContact OD1-N 3.07Å; N76-T80 PolarHBondContact O-N 3.38Å; N76-T80 PolarHBondContact O-OG1 3.07Å
77E97.7Very high97.5Very high52 Ų5248.9 Ų48.924%0.24324%0.24CC..Hα-helixtrans-69.7-34.9-176.3-52.387.4158.900112.3F49 K56 V58 I71 D75 T80 L81F49-E77 HydrophobicContact CD1-CB 3.6Å; F49-E77 HydrophobicContact CD1-CG 4.28Å; F49-E77 HydrophobicContact CD2-CB 4.42Å; F49-E77 HydrophobicContact CE1-CB 3.41Å; F49-E77 VanDerWaalsContact CE1-CB 3.41Å; F49-E77 WeakPolarHBondContact CE1-O 3.17Å; F49-E77 HydrophobicContact CE2-CB 4.26Å; F49-E77 HydrophobicContact CG-CB 4.11Å; F49-E77 HydrophobicContact CG-CG 4.47Å; F49-E77 HydrophobicContact CZ-CB 3.76Å; K56-E77 HydrophobicContact CD-CG 3.97Å; K56-E77 WeakPolarHBondContact CD-OE1 3.16Å; K56-E77 WeakPolarHBondContact CE-OE1 3.35Å; K56-E77 IonicContact NZ-OE1 2.65Å; K56-E77 PolarHBondContact NZ-OE1 2.87Å; V58-E77 HydrophobicContact CG2-CB 4.07Å; V58-E77 HydrophobicContact CG2-CG 4.47Å; I71-E77 HydrophobicContact CD1-CB 4.49Å; I71-E77 HydrophobicContact CD1-CG 4.21Å; D75-E77 PolarHBondContact O-N 3.3Å; E77-T80 PolarHBondContact O-N 3.41Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 PolarHBondContact O-N 3.36Å
78L98.1Very high97.5Very high116 Ų11649.6 Ų49.661%0.60725%0.245SC*.Hα-helixtrans-70.5-41.6178.4-67.6169.9000111.3F49 N76 T80 L81 E82F49-L78 HydrophobicContact CE2-CD2 4.26Å; F49-L78 HydrophobicContact CZ-CD2 3.87Å; F49-L78 HydrophobicContact CZ-CG 4.37Å; N76-L78 PolarHBondContact O-N 2.82Å; N76-L78 WeakPolarHBondContact OD1-CB 3.24Å; N76-L78 PolarHBondContact OD1-N 3.13Å; L78-T80 VanDerWaalsContact C-N 3.3Å; L78-T80 PolarHBondContact O-N 3.01Å; L78-L81 WeakPolarHBondContact O-CB 3.3Å; L78-L81 PolarHBondContact O-N 2.89Å; L78-E82 PolarHBondContact O-N 3.43Å
79L97.5Very high97.4Very high94 Ų9452.3 Ų52.349%0.49226%0.258SS..Hα-helixtrans-62.5-41.2173.4-177.362.2000110.7N76 L81 E82 I83N76-L79 HydrophobicContact CB-CB 3.92Å; N76-L79 PolarHBondContact O-N 3.08Å; N76-L79 PolarHBondContact OD1-N 3.07Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L79-L81 PolarHBondContact O-N 3.01Å; L79-E82 CarbonylContact O-C 3.54Å; L79-E82 WeakPolarHBondContact O-CA 3.3Å; L79-E82 WeakPolarHBondContact O-CB 3.36Å; L79-E82 PolarHBondContact O-N 3.33Å; L79-E82 VanDerWaalsContact O-N 3.1Å; L79-I83 HydrophobicContact CG-CD1 4.45Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 3.01Å
80T98.2Very high97.3Very high7 Ų752.3 Ų52.34%0.04326%0.258CS..Hα-helixtrans-63-37.3174.9-56.60000112.1V58 C69 I71 N76 E77 L78 E82 I83 V84V58-T80 HydrophobicContact CB-CG2 3.81Å; V58-T80 HydrophobicContact CG1-CG2 4.02Å; V58-T80 HydrophobicContact CG2-CG2 3.87Å; C69-T80 HydrophobicContact CB-CG2 3.87Å; I71-T80 HydrophobicContact CD1-CG2 4.29Å; I71-T80 WeakPolarHBondContact CD1-OG1 3.44Å; I71-T80 HydrophobicContact CG2-CG2 3.65Å; N76-T80 PolarHBondContact O-N 3.38Å; N76-T80 PolarHBondContact O-OG1 3.07Å; E77-T80 PolarHBondContact O-N 3.41Å; L78-T80 VanDerWaalsContact C-N 3.3Å; L78-T80 PolarHBondContact O-N 3.01Å; T80-E82 VanDerWaalsContact C-N 3.29Å; T80-E82 PolarHBondContact O-N 2.98Å; T80-I83 WeakPolarHBondContact O-CB 3.33Å; T80-I83 PolarHBondContact O-N 3.07Å; T80-V84 WeakPolarHBondContact O-CG2 3.25Å; T80-V84 PolarHBondContact O-N 3.11Å
81L98Very high97.2Very high40 Ų4052.4 Ų52.421%0.20926%0.258CS..Hα-helixtrans-64.5-37.3173.9-164.570.8000111.4F49 V58 K60 E77 L78 L79 V84 H85F49-L81 HydrophobicContact CE1-CB 4.49Å; F49-L81 HydrophobicContact CZ-CD2 4.48Å; V58-L81 HydrophobicContact CG1-CB 4.01Å; V58-L81 HydrophobicContact CG1-CD1 3.8Å; K60-L81 HydrophobicContact CB-CD1 3.89Å; K60-L81 HydrophobicContact CD-CD1 4.39Å; K60-L81 HydrophobicContact CG-CD1 4.47Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 PolarHBondContact O-N 3.36Å; L78-L81 WeakPolarHBondContact O-CB 3.3Å; L78-L81 PolarHBondContact O-N 2.89Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L79-L81 PolarHBondContact O-N 3.01Å; L81-V84 PolarHBondContact O-N 3.2Å; L81-H85 PolarHBondContact O-N 2.89Å
82E97.8Very high97.1Very high111 Ų11155.6 Ų55.652%0.51928%0.275SS..Hα-helixtrans-67.7-38.4173.1-169.9179.1174.900112L78 L79 T80 V84 H85 R86L78-E82 PolarHBondContact O-N 3.43Å; L79-E82 CarbonylContact O-C 3.54Å; L79-E82 WeakPolarHBondContact O-CA 3.3Å; L79-E82 WeakPolarHBondContact O-CB 3.36Å; L79-E82 PolarHBondContact O-N 3.33Å; L79-E82 VanDerWaalsContact O-N 3.1Å; T80-E82 VanDerWaalsContact C-N 3.29Å; T80-E82 PolarHBondContact O-N 2.98Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 3.25Å; E82-H85 CarbonylContact O-C 3.6Å; E82-H85 WeakPolarHBondContact O-CB 3.47Å; E82-H85 PolarHBondContact O-N 2.98Å; E82-H85 VanDerWaalsContact O-N 3.13Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 2.94Å
83I97.6Very high96.9Very high22 Ų2257.8 Ų57.811%0.11328%0.284CS..Hα-helixtrans-58.4-47.1172.7-70.8169.6000110.4I2 L79 T80 H85 R86 Y87 F117 I118 I123I2-I83 HydrophobicContact CD1-CG2 4.4Å; L79-I83 HydrophobicContact CG-CD1 4.45Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 3.01Å; T80-I83 WeakPolarHBondContact O-CB 3.33Å; T80-I83 PolarHBondContact O-N 3.07Å; I83-H85 VanDerWaalsContact C-N 3.3Å; I83-H85 PolarHBondContact O-N 2.84Å; I83-R86 PolarHBondContact O-N 3.1Å; I83-Y87 PolarHBondContact O-N 2.86Å; I83-F117 HydrophobicContact CG2-CE1 3.82Å; I83-F117 HydrophobicContact CG2-CZ 4.1Å; I83-F117 WeakPolarHBondContact O-CE1 3.39Å; I83-I118 HydrophobicContact CG2-CD1 3.71Å; I83-I123 HydrophobicContact CB-CD1 4.17Å; I83-I123 HydrophobicContact CD1-CD1 3.66Å; I83-I123 HydrophobicContact CD1-CG1 3.52Å; I83-I123 HydrophobicContact CG1-CD1 3.6Å; I83-I123 HydrophobicContact CG1-CG1 3.88Å; I83-I123 HydrophobicContact CG2-CD1 3.54Å
84V97.9Very high96.9Very high5 Ų556.6 Ų56.63%0.0327%0.274CS..Hα-helixtrans-58.4-45.2174.51690000110.7K60 Y62 F67 C69 T80 L81 E82 Y87 V88K60-V84 HydrophobicContact CB-CG1 4.31Å; Y62-V84 HydrophobicContact CE2-CG1 4.1Å; F67-V84 HydrophobicContact CB-CG1 3.46Å; F67-V84 VanDerWaalsContact CB-CG1 3.46Å; F67-V84 HydrophobicContact CD1-CG1 4.28Å; F67-V84 HydrophobicContact CG-CG1 4.03Å; C69-V84 WeakPolarHBondContact SG-CG2 3.42Å; T80-V84 WeakPolarHBondContact O-CG2 3.25Å; T80-V84 PolarHBondContact O-N 3.11Å; L81-V84 PolarHBondContact O-N 3.2Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 3.25Å; V84-Y87 PolarHBondContact O-N 3.3Å; V84-V88 WeakPolarHBondContact O-CG2 3.34Å; V84-V88 PolarHBondContact O-N 3.22Å; V84-V88 VanDerWaalsContact O-N 3.14Å
85H97.3Very high96.8Very high82 Ų8251.2 Ų51.238%0.3825%0.248SC..Hα-helixtrans-63-44.1178.7-170.937.4000111.9Y62 L81 E82 I83 Y87 V88 E89Y62-H85 AromaticContact CE1-ND1 3.7Å; Y62-H85 AromaticContact CZ-ND1 3.69Å; Y62-H85 WeakPolarHBondContact OH-CA 3.49Å; Y62-H85 WeakPolarHBondContact OH-CB 3.37Å; Y62-H85 PolarHBondContact OH-ND1 2.9Å; L81-H85 PolarHBondContact O-N 2.89Å; E82-H85 CarbonylContact O-C 3.6Å; E82-H85 WeakPolarHBondContact O-CB 3.47Å; E82-H85 PolarHBondContact O-N 2.98Å; E82-H85 VanDerWaalsContact O-N 3.13Å; I83-H85 VanDerWaalsContact C-N 3.3Å; I83-H85 PolarHBondContact O-N 2.84Å; H85-Y87 VanDerWaalsContact C-N 3.3Å; H85-Y87 PolarHBondContact O-N 3.42Å; H85-V88 WeakPolarHBondContact O-CB 3.49Å; H85-V88 PolarHBondContact O-N 3.48Å; H85-V88 VanDerWaalsContact O-N 3.09Å; H85-E89 WeakPolarHBondContact O-CG 3.42Å; H85-E89 PolarHBondContact O-N 2.89Å
86R97.3Very high96.6Very high56 Ų5651.6 Ų51.621%0.21126%0.261CS..Hα-helixtrans-59.5-41.8177.7179.457.762.574.49.7111.7E82 I83 V88 E89 L90 F117 T126E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 2.94Å; I83-R86 PolarHBondContact O-N 3.1Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 3.49Å; R86-E89 WeakPolarHBondContact CD-OE2 3.46Å; R86-E89 IonicContact NE-OE2 3.92Å; R86-E89 PolarHBondContact NE-OE2 2.93Å; R86-E89 WeakPolarHBondContact O-CB 3.35Å; R86-E89 PolarHBondContact O-N 3.42Å; R86-L90 HydrophobicContact CG-CD1 4.46Å; R86-L90 WeakPolarHBondContact O-CG 3.29Å; R86-L90 PolarHBondContact O-N 3.43Å; R86-F117 HydrophobicContact CB-CE1 4.27Å; R86-F117 HydrophobicContact CB-CE2 4.5Å; R86-F117 HydrophobicContact CB-CZ 3.76Å; R86-F117 HydrophobicContact CG-CE1 4.21Å; R86-F117 HydrophobicContact CG-CE2 3.75Å; R86-F117 HydrophobicContact CG-CZ 3.5Å; R86-T126 PolarHBondContact NH1-O 3.28Å
87Y97.9Very high96.3Very high5 Ų554.2 Ų54.22%0.0228%0.275CS..Hα-helixtrans-62.4-40.2175.9-179.3-124.3000112L7 F67 I83 V84 H85 E89 L90 L91 A110 I113 L114 F117L7-Y87 HydrophobicContact CD1-CE1 4.49Å; L7-Y87 HydrophobicContact CD2-CE1 4.23Å; F67-Y87 HydrophobicContact CD1-CD1 4.18Å; F67-Y87 AromaticContact CE1-CD1 3.85Å; F67-Y87 HydrophobicContact CE1-CD1 3.85Å; F67-Y87 AromaticContact CE1-CE1 3.99Å; F67-Y87 HydrophobicContact CE1-CE1 3.99Å; I83-Y87 PolarHBondContact O-N 2.86Å; V84-Y87 PolarHBondContact O-N 3.3Å; H85-Y87 VanDerWaalsContact C-N 3.3Å; H85-Y87 PolarHBondContact O-N 3.42Å; Y87-E89 VanDerWaalsContact C-N 3.33Å; Y87-E89 PolarHBondContact O-N 3.09Å; Y87-L90 WeakPolarHBondContact O-CB 3.35Å; Y87-L90 PolarHBondContact O-N 3.46Å; Y87-L91 HydrophobicContact CD1-CD1 4.08Å; Y87-L91 HydrophobicContact CD2-CG 4.47Å; Y87-L91 HydrophobicContact CE1-CD1 3.69Å; Y87-L91 HydrophobicContact CE1-CG 4.37Å; Y87-L91 HydrophobicContact CE2-CD1 4.3Å; Y87-L91 HydrophobicContact CE2-CD2 4.21Å; Y87-L91 HydrophobicContact CE2-CG 4.08Å; Y87-L91 WeakPolarHBondContact O-CG 3.45Å; Y87-L91 PolarHBondContact O-N 3.34Å; Y87-A110 PolarHBondContact OH-O 3.39Å; Y87-I113 HydrophobicContact CD2-CG2 4.32Å; Y87-I113 HydrophobicContact CE2-CB 4.34Å; Y87-I113 HydrophobicContact CE2-CG2 3.88Å; Y87-L114 HydrophobicContact CD1-CD1 4.36Å; Y87-L114 HydrophobicContact CD2-CD1 3.93Å; Y87-L114 HydrophobicContact CE1-CD1 4.24Å; Y87-L114 HydrophobicContact CE2-CB 3.68Å; Y87-L114 HydrophobicContact CE2-CD1 3.83Å; Y87-L114 HydrophobicContact CE2-CG 4.35Å; Y87-L114 HydrophobicContact CG-CD1 4.21Å; Y87-F117 HydrophobicContact CD2-CD1 4.23Å
88V97.3Very high96.2Very high21 Ų2153.4 Ų53.413%0.12727%0.273CS..Hα-helixtrans-61.9-40.6172.7174.90000111.7Y62 F67 V84 H85 R86 L90 L91 D92Y62-V88 HydrophobicContact CD1-CG1 4.17Å; Y62-V88 HydrophobicContact CD2-CG2 3.86Å; Y62-V88 HydrophobicContact CE1-CG1 4.37Å; Y62-V88 HydrophobicContact CE2-CG2 3.86Å; Y62-V88 HydrophobicContact CG-CG1 4.4Å; Y62-V88 HydrophobicContact CG-CG2 4.24Å; F67-V88 HydrophobicContact CD1-CG2 4.16Å; F67-V88 HydrophobicContact CD2-CG2 4.32Å; F67-V88 HydrophobicContact CE1-CG2 3.73Å; F67-V88 HydrophobicContact CE2-CG2 3.93Å; F67-V88 HydrophobicContact CG-CG2 4.45Å; F67-V88 HydrophobicContact CZ-CG2 3.63Å; V84-V88 WeakPolarHBondContact O-CG2 3.34Å; V84-V88 PolarHBondContact O-N 3.22Å; V84-V88 VanDerWaalsContact O-N 3.14Å; H85-V88 WeakPolarHBondContact O-CB 3.49Å; H85-V88 PolarHBondContact O-N 3.48Å; H85-V88 VanDerWaalsContact O-N 3.09Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 3.49Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 2.99Å; V88-L91 PolarHBondContact O-N 2.9Å; V88-D92 WeakPolarHBondContact O-CB 3.12Å; V88-D92 PolarHBondContact O-N 3Å
89E96.6Very high96Very high58 Ų5850.6 Ų50.627%0.27126%0.263SS..Hα-helixtrans-66.7-33.1176.2-62.3-179.3114.100113.1H85 R86 Y87 K93 K128H85-E89 WeakPolarHBondContact O-CG 3.42Å; H85-E89 PolarHBondContact O-N 2.89Å; R86-E89 WeakPolarHBondContact CD-OE2 3.46Å; R86-E89 IonicContact NE-OE2 3.92Å; R86-E89 PolarHBondContact NE-OE2 2.93Å; R86-E89 WeakPolarHBondContact O-CB 3.35Å; R86-E89 PolarHBondContact O-N 3.42Å; Y87-E89 VanDerWaalsContact C-N 3.33Å; Y87-E89 PolarHBondContact O-N 3.09Å; E89-K93 VanDerWaalsContact O-CB 3.28Å; E89-K93 WeakPolarHBondContact O-CB 3.43Å; E89-K93 PolarHBondContact O-N 3.17Å; E89-K128 HydrophobicContact CB-CD 4.41Å; E89-K128 IonicContact OE1-NZ 2.86Å; E89-K128 PolarHBondContact OE1-NZ 3.47Å; E89-K128 WeakPolarHBondContact OE2-CE 3.48Å; E89-K128 IonicContact OE2-NZ 2.63Å; E89-K128 PolarHBondContact OE2-NZ 3.09Å
90L96.4Very high95.9Very high1 Ų147.5 Ų47.51%0.00525%0.246CC..Hα-helixtrans-66.7-46.6174-72.1171.2000110.7R86 Y87 V88 D92 K93 Y94 I113 F117 K128 A131 V132R86-L90 HydrophobicContact CG-CD1 4.46Å; R86-L90 WeakPolarHBondContact O-CG 3.29Å; R86-L90 PolarHBondContact O-N 3.43Å; Y87-L90 WeakPolarHBondContact O-CB 3.35Å; Y87-L90 PolarHBondContact O-N 3.46Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 2.99Å; L90-D92 VanDerWaalsContact C-N 3.34Å; L90-D92 PolarHBondContact O-N 3.25Å; L90-K93 PolarHBondContact O-N 3.42Å; L90-Y94 WeakPolarHBondContact O-CB 3.18Å; L90-Y94 PolarHBondContact O-N 3.23Å; L90-I113 HydrophobicContact CB-CG2 3.85Å; L90-F117 HydrophobicContact CD1-CB 3.82Å; L90-F117 HydrophobicContact CD1-CD1 3.99Å; L90-F117 HydrophobicContact CD1-CD2 3.88Å; L90-F117 HydrophobicContact CD1-CE2 4.49Å; L90-F117 HydrophobicContact CD1-CG 3.62Å; L90-K128 HydrophobicContact CD2-CB 4.41Å; L90-K128 HydrophobicContact CD2-CG 3.77Å; L90-A131 HydrophobicContact CD1-CB 4.47Å; L90-A131 HydrophobicContact CD2-CB 3.89Å; L90-V132 HydrophobicContact CD2-CG2 3.55Å
91L96.6Very high95.8Very high1 Ų151.9 Ų51.91%0.00527%0.268CS..Hα-helixtrans-58.5-46174-69.3170000111.3F67 Y87 V88 K93 Y94 F95 V98 I103 A110 I113F67-L91 HydrophobicContact CE1-CD1 4.2Å; F67-L91 HydrophobicContact CZ-CD1 4.3Å; Y87-L91 HydrophobicContact CD1-CD1 4.08Å; Y87-L91 HydrophobicContact CD2-CG 4.47Å; Y87-L91 HydrophobicContact CE1-CD1 3.69Å; Y87-L91 HydrophobicContact CE1-CG 4.37Å; Y87-L91 HydrophobicContact CE2-CD1 4.3Å; Y87-L91 HydrophobicContact CE2-CD2 4.21Å; Y87-L91 HydrophobicContact CE2-CG 4.08Å; Y87-L91 WeakPolarHBondContact O-CG 3.45Å; Y87-L91 PolarHBondContact O-N 3.34Å; V88-L91 PolarHBondContact O-N 2.9Å; L91-K93 PolarHBondContact O-N 3.33Å; L91-Y94 PolarHBondContact O-N 3.21Å; L91-F95 HydrophobicContact CB-CD2 4.48Å; L91-F95 HydrophobicContact CD2-CD2 4.37Å; L91-F95 HydrophobicContact CD2-CE2 3.9Å; L91-F95 WeakPolarHBondContact O-CD2 3.33Å; L91-F95 PolarHBondContact O-N 3.18Å; L91-V98 HydrophobicContact CB-CG1 4.3Å; L91-V98 HydrophobicContact CB-CG2 4.24Å; L91-I103 HydrophobicContact CD1-CD1 4.16Å; L91-A110 HydrophobicContact CD2-CB 4.09Å; L91-I113 HydrophobicContact CD2-CD1 3.82Å; L91-I113 HydrophobicContact CD2-CG2 4.37Å
92D95.7Very high95.8Very high68 Ų6852.2 Ų52.236%0.36427%0.27SS..Hα-helixtrans-64.5-39.8179.9-170.555.1000112.6V88 L90 G96 N97 V98V88-D92 WeakPolarHBondContact O-CB 3.12Å; V88-D92 PolarHBondContact O-N 3Å; L90-D92 VanDerWaalsContact C-N 3.34Å; L90-D92 PolarHBondContact O-N 3.25Å; D92-G96 VanDerWaalsContact O-CA 3.27Å; D92-G96 WeakPolarHBondContact O-CA 3.15Å; D92-G96 PolarHBondContact O-N 3.28Å; D92-N97 WeakPolarHBondContact OD1-CA 3.41Å; D92-N97 PolarHBondContact OD1-N 2.99Å; D92-V98 HydrophobicContact CB-CG1 3.78Å; D92-V98 PolarHBondContact OD1-N 2.77Å
93K94.1Very high95.7Very high104 Ų10447 Ų4745%0.45225%0.246SC..Hα-helixtrans-68.5-35.8176.8-176.2167.8171-158.40112.4E89 L90 L91 K128 V132E89-K93 VanDerWaalsContact O-CB 3.28Å; E89-K93 WeakPolarHBondContact O-CB 3.43Å; E89-K93 PolarHBondContact O-N 3.17Å; L90-K93 PolarHBondContact O-N 3.42Å; L91-K93 PolarHBondContact O-N 3.33Å; K93-K128 HydrophobicContact CD-CD 4.4Å; K93-V132 HydrophobicContact CB-CG2 4.37Å; K93-V132 HydrophobicContact CD-CB 4.36Å; K93-V132 HydrophobicContact CD-CG1 4.27Å; K93-V132 HydrophobicContact CD-CG2 3.89Å; K93-V132 HydrophobicContact CG-CG1 4.28Å; K93-V132 HydrophobicContact CG-CG2 4.18Å
94Y93.8Very high95.7Very high60 Ų6048.7 Ų48.724%0.23526%0.255CS..Hα-helixtrans-74.8-49.8178.7-178.8-94.3000112.4L90 L91 K109 I113 I135 D139L90-Y94 WeakPolarHBondContact O-CB 3.18Å; L90-Y94 PolarHBondContact O-N 3.23Å; L91-Y94 PolarHBondContact O-N 3.21Å; Y94-K109 HydrophobicContact CE1-CB 4.06Å; Y94-K109 HydrophobicContact CE1-CG 4.38Å; Y94-K109 WeakPolarHBondContact OH-CD 3.27Å; Y94-I113 HydrophobicContact CD1-CD1 3.57Å; Y94-I113 HydrophobicContact CD2-CD1 4.33Å; Y94-I113 HydrophobicContact CE1-CD1 4.15Å; Y94-I113 HydrophobicContact CG-CD1 3.66Å; Y94-I113 HydrophobicContact CG-CG1 4.39Å; Y94-I135 HydrophobicContact CD2-CG2 3.69Å; Y94-I135 HydrophobicContact CE2-CG2 3.48Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.48Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.38Å; Y94-D139 VanDerWaalsContact CZ-OD2 3.28Å; Y94-D139 PolarHBondContact OH-OD2 2.85Å
95F93.8Very high95.6Very high46 Ų4655.6 Ų55.620%0.20229%0.285CS..Hα-helixtrans-83.3-24.6-176.6-71-67.9000114L91 V98 D102 N106 K109 I113L91-F95 HydrophobicContact CB-CD2 4.48Å; L91-F95 HydrophobicContact CD2-CD2 4.37Å; L91-F95 HydrophobicContact CD2-CE2 3.9Å; L91-F95 WeakPolarHBondContact O-CD2 3.33Å; L91-F95 PolarHBondContact O-N 3.18Å; F95-V98 HydrophobicContact CB-CB 4.07Å; F95-V98 HydrophobicContact CB-CG2 4.15Å; F95-V98 HydrophobicContact CD2-CB 4.39Å; F95-V98 HydrophobicContact CD2-CG2 3.72Å; F95-V98 HydrophobicContact CG-CG2 4.23Å; F95-D102 HydrophobicContact CB-CB 4.47Å; F95-D102 HydrophobicContact CD1-CB 3.95Å; F95-D102 HydrophobicContact CD2-CB 4.46Å; F95-D102 HydrophobicContact CE1-CB 4.3Å; F95-D102 HydrophobicContact CG-CB 4.04Å; F95-N106 HydrophobicContact CE1-CB 3.77Å; F95-N106 HydrophobicContact CZ-CB 3.93Å; F95-K109 HydrophobicContact CZ-CB 4.11Å; F95-I113 HydrophobicContact CE2-CD1 4.1Å
96G92Very high95.5Very high46 Ų4654.5 Ų54.547%0.47428%0.282SS..THydrogen-bonded Turntrans72.491.4-176.400000112.9D92D92-G96 VanDerWaalsContact O-CA 3.27Å; D92-G96 WeakPolarHBondContact O-CA 3.15Å; D92-G96 PolarHBondContact O-N 3.28Å
97N90.9Very high95.4Very high143 Ų14357.1 Ų57.177%0.76530%0.295SS*.SBendtrans65.659.5-169.7-52.1-69.6000112.2D92 C99D92-N97 WeakPolarHBondContact OD1-CA 3.41Å; D92-N97 PolarHBondContact OD1-N 2.99Å; N97-C99 PolarHBondContact O-N 2.81Å
98V95.1Very high95.2Very high35 Ų3560 Ų6021%0.21231%0.308CS..  trans-57.2135.5-173.6660000112.3L91 D92 F95 D102 I103L91-V98 HydrophobicContact CB-CG1 4.3Å; L91-V98 HydrophobicContact CB-CG2 4.24Å; D92-V98 HydrophobicContact CB-CG1 3.78Å; D92-V98 PolarHBondContact OD1-N 2.77Å; F95-V98 HydrophobicContact CB-CB 4.07Å; F95-V98 HydrophobicContact CB-CG2 4.15Å; F95-V98 HydrophobicContact CD2-CB 4.39Å; F95-V98 HydrophobicContact CD2-CG2 3.72Å; F95-V98 HydrophobicContact CG-CG2 4.23Å; V98-D102 HydrophobicContact CG2-CB 4.36Å; V98-I103 HydrophobicContact CG2-CD1 4.47Å; V98-I103 HydrophobicContact CG2-CG1 4.27Å
99C94.9Very high95.1Very high57 Ų5760.8 Ų60.839%0.38531%0.31SS..  trans-124.7171.2171.479.40000112.1N97 L101 D102N97-C99 PolarHBondContact O-N 2.81Å; C99-L101 PolarHBondContact O-N 3.24Å; C99-D102 PolarHBondContact N-OD2 3.46Å; C99-D102 PolarHBondContact O-N 3.38Å; C99-D102 PolarHBondContact SG-OD2 2.84Å
100E95.4Very high95.2Very high30 Ų3058 Ų5814%0.1430%0.297CS..Hα-helixtrans-60.5-32.5179.2173.4172.8-176.700112.7S9 R15 S64 L65 D102 I103 I104S9-E100 WeakPolarHBondContact CB-OE1 3.48Å; R15-E100 IonicContact CZ-OE1 2.76Å; R15-E100 VanDerWaalsContact CZ-OE1 3.22Å; R15-E100 IonicContact NE-OE1 2.89Å; R15-E100 PolarHBondContact NE-OE1 3.43Å; R15-E100 IonicContact NH2-OE1 2.74Å; R15-E100 PolarHBondContact NH2-OE1 3.08Å; S64-E100 WeakPolarHBondContact CB-OE2 3.4Å; S64-E100 PolarHBondContact OG-OE2 3.03Å; L65-E100 HydrophobicContact CD1-CB 3.92Å; L65-E100 HydrophobicContact CD1-CG 4.27Å; L65-E100 HydrophobicContact CD2-CB 4.29Å; L65-E100 HydrophobicContact CD2-CG 3.82Å; L65-E100 HydrophobicContact CG-CB 3.98Å; L65-E100 HydrophobicContact CG-CG 4.09Å; E100-D102 VanDerWaalsContact C-N 3.35Å; E100-I103 PolarHBondContact O-N 3.32Å; E100-I104 HydrophobicContact CG-CD1 3.8Å; E100-I104 HydrophobicContact CG-CG1 4.37Å; E100-I104 VanDerWaalsContact O-CG1 3.28Å; E100-I104 WeakPolarHBondContact O-CG1 3.47Å; E100-I104 PolarHBondContact O-N 2.85Å; E100-I104 VanDerWaalsContact O-N 3.08Å
101L96.2Very high95.2Very high99 Ų9960.6 Ų60.652%0.51831%0.307SS..Hα-helixtrans-66.5-37.5178.7-71.6176.5000111.8C99 I103 I104 F105C99-L101 PolarHBondContact O-N 3.24Å; L101-I103 VanDerWaalsContact C-N 3.27Å; L101-I103 PolarHBondContact O-N 3.48Å; L101-I104 HydrophobicContact CD2-CD1 4.17Å; L101-I104 WeakPolarHBondContact O-CB 3.49Å; L101-I104 PolarHBondContact O-N 3.26Å; L101-F105 HydrophobicContact CB-CD2 4.19Å; L101-F105 HydrophobicContact CB-CE2 4.21Å; L101-F105 HydrophobicContact CD2-CE2 4.07Å; L101-F105 WeakPolarHBondContact O-CD2 3.38Å; L101-F105 PolarHBondContact O-N 3.14Å
102D96.6Very high95.2Very high46 Ų4665 Ų6525%0.24633%0.326CS..Hα-helixtrans-61.1-40.5178.7-55.4-42.6000111F95 V98 C99 E100 N106F95-D102 HydrophobicContact CB-CB 4.47Å; F95-D102 HydrophobicContact CD1-CB 3.95Å; F95-D102 HydrophobicContact CD2-CB 4.46Å; F95-D102 HydrophobicContact CE1-CB 4.3Å; F95-D102 HydrophobicContact CG-CB 4.04Å; V98-D102 HydrophobicContact CG2-CB 4.36Å; C99-D102 PolarHBondContact N-OD2 3.46Å; C99-D102 PolarHBondContact O-N 3.38Å; C99-D102 PolarHBondContact SG-OD2 2.84Å; E100-D102 VanDerWaalsContact C-N 3.35Å; D102-N106 WeakPolarHBondContact O-CB 3.5Å; D102-N106 PolarHBondContact O-N 3.48Å; D102-N106 PolarHBondContact O-ND2 3.14Å
103I96.6Very high95.2Very high3 Ų361.8 Ų61.82%0.01531%0.309CS..Hα-helixtrans-69.8-33.2175.6-58.6176.6000111.5L7 R15 L65 L91 V98 E100 L101 F107 A110L7-I103 HydrophobicContact CD2-CD1 4.48Å; R15-I103 HydrophobicContact CB-CG2 4.23Å; L65-I103 HydrophobicContact CD1-CD1 3.71Å; L91-I103 HydrophobicContact CD1-CD1 4.16Å; V98-I103 HydrophobicContact CG2-CD1 4.47Å; V98-I103 HydrophobicContact CG2-CG1 4.27Å; E100-I103 PolarHBondContact O-N 3.32Å; L101-I103 VanDerWaalsContact C-N 3.27Å; L101-I103 PolarHBondContact O-N 3.48Å; I103-F107 WeakPolarHBondContact O-CA 3.38Å; I103-F107 WeakPolarHBondContact O-CB 3.44Å; I103-F107 PolarHBondContact O-N 3.49Å; I103-A110 HydrophobicContact CG2-CB 4.26Å
104I96.2Very high95.3Very high56 Ų5656.9 Ų56.929%0.28729%0.288SS..Hα-helixtrans-69.8-44177.3-70.5164.4000111E100 L101E100-I104 HydrophobicContact CG-CD1 3.8Å; E100-I104 HydrophobicContact CG-CG1 4.37Å; E100-I104 VanDerWaalsContact O-CG1 3.28Å; E100-I104 WeakPolarHBondContact O-CG1 3.47Å; E100-I104 PolarHBondContact O-N 2.85Å; E100-I104 VanDerWaalsContact O-N 3.08Å; L101-I104 HydrophobicContact CD2-CD1 4.17Å; L101-I104 WeakPolarHBondContact O-CB 3.49Å; L101-I104 PolarHBondContact O-N 3.26Å
105F96.3Very high95.4Very high151 Ų15156.4 Ų56.466%0.66229%0.289SS*.Hα-helixtrans-81-30.4-175.9-73.3-63.8000113.1L101L101-F105 HydrophobicContact CB-CD2 4.19Å; L101-F105 HydrophobicContact CB-CE2 4.21Å; L101-F105 HydrophobicContact CD2-CE2 4.07Å; L101-F105 WeakPolarHBondContact O-CD2 3.38Å; L101-F105 PolarHBondContact O-N 3.14Å
106N95.6Very high95.5Very high59 Ų5957.4 Ų57.432%0.31630%0.295SS..THydrogen-bonded Turntrans-121.650.3-178.6-47-77.9000110.3F95 D102 E108 K109 A110F95-N106 HydrophobicContact CE1-CB 3.77Å; F95-N106 HydrophobicContact CZ-CB 3.93Å; D102-N106 WeakPolarHBondContact O-CB 3.5Å; D102-N106 PolarHBondContact O-N 3.48Å; D102-N106 PolarHBondContact O-ND2 3.14Å; N106-E108 PolarHBondContact O-N 2.75Å; N106-K109 HydrophobicContact CB-CB 4.18Å; N106-K109 HydrophobicContact CB-CG 4.18Å; N106-K109 PolarHBondContact O-N 3.46Å; N106-K109 VanDerWaalsContact O-N 3.17Å; N106-A110 PolarHBondContact O-N 2.92Å
107F95.3Very high95.7Very high110 Ų11055.4 Ų55.448%0.48227%0.273SS..Hα-helixtrans-63.5-35.4-173.969.2-89.4000111.4I103 A110 Y111I103-F107 WeakPolarHBondContact O-CA 3.38Å; I103-F107 WeakPolarHBondContact O-CB 3.44Å; I103-F107 PolarHBondContact O-N 3.49Å; F107-A110 WeakPolarHBondContact O-CB 3.18Å; F107-A110 PolarHBondContact O-N 3.23Å; F107-Y111 HydrophobicContact CD2-CD2 4.17Å; F107-Y111 HydrophobicContact CD2-CE2 4.1Å; F107-Y111 WeakPolarHBondContact O-CD2 3.35Å; F107-Y111 PolarHBondContact O-N 3.15Å
108E94.8Very high96.1Very high67 Ų6748.7 Ų48.731%0.31324%0.237SC..Hα-helixtrans-59.8-43.4174.963.4-73.3171.800111.9N106 A110 Y111 F112N106-E108 PolarHBondContact O-N 2.75Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 2.65Å; E108-Y111 WeakPolarHBondContact O-CA 3.29Å; E108-Y111 WeakPolarHBondContact O-CB 3.22Å; E108-Y111 PolarHBondContact O-N 3.4Å; E108-Y111 VanDerWaalsContact O-N 3.07Å; E108-F112 HydrophobicContact CB-CE2 4.34Å; E108-F112 HydrophobicContact CB-CZ 4.27Å; E108-F112 HydrophobicContact CG-CE2 4.46Å; E108-F112 VanDerWaalsContact O-CG 3.27Å; E108-F112 WeakPolarHBondContact O-CG 3.33Å; E108-F112 PolarHBondContact O-N 3.05Å
109K94.7Very high96.1Very high37 Ų3751.9 Ų51.916%0.16125%0.252CS..Hα-helixtrans-63.7-38.9175.5-62.5-57.5-168.2178.50111Y94 F95 N106 Y111 F112 I113 D139Y94-K109 HydrophobicContact CE1-CB 4.06Å; Y94-K109 HydrophobicContact CE1-CG 4.38Å; Y94-K109 WeakPolarHBondContact OH-CD 3.27Å; F95-K109 HydrophobicContact CZ-CB 4.11Å; N106-K109 HydrophobicContact CB-CB 4.18Å; N106-K109 HydrophobicContact CB-CG 4.18Å; N106-K109 PolarHBondContact O-N 3.46Å; N106-K109 VanDerWaalsContact O-N 3.17Å; K109-Y111 VanDerWaalsContact C-N 3.33Å; K109-Y111 PolarHBondContact O-N 3.22Å; K109-F112 HydrophobicContact CD-CD2 3.91Å; K109-F112 HydrophobicContact CD-CE2 4.31Å; K109-F112 PolarHBondContact O-N 3.12Å; K109-I113 WeakPolarHBondContact O-CD1 3.4Å; K109-I113 WeakPolarHBondContact O-CG1 3.49Å; K109-I113 PolarHBondContact O-N 3.27Å; K109-D139 IonicContact NZ-OD1 2.85Å; K109-D139 PolarHBondContact NZ-OD1 2.64Å; K109-D139 IonicContact NZ-OD2 3.22Å
110A97.1Very high96.2Very high0 Ų051.2 Ų51.20%026%0.255CS..Hα-helixtrans-60.7-40.8172.300000112L16 Y87 L91 I103 N106 F107 E108 L114L16-A110 HydrophobicContact CD1-CB 4.09Å; Y87-A110 PolarHBondContact OH-O 3.39Å; L91-A110 HydrophobicContact CD2-CB 4.09Å; I103-A110 HydrophobicContact CG2-CB 4.26Å; N106-A110 PolarHBondContact O-N 2.92Å; F107-A110 WeakPolarHBondContact O-CB 3.18Å; F107-A110 PolarHBondContact O-N 3.23Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 2.65Å; A110-L114 WeakPolarHBondContact O-CB 3.47Å; A110-L114 PolarHBondContact O-N 2.77Å
111Y97.3Very high96.2Very high55 Ų5549.8 Ų49.822%0.21625%0.248CC..Hα-helixtrans-63.9-41.4172.8-79.8-80000112.6L16 Q17 K18 F107 E108 K109 L114 D115L16-Y111 HydrophobicContact CD1-CD1 4.28Å; L16-Y111 HydrophobicContact CD1-CD2 4.36Å; L16-Y111 HydrophobicContact CD1-CE1 4.28Å; L16-Y111 HydrophobicContact CD1-CE2 4.35Å; L16-Y111 HydrophobicContact CD1-CG 4.32Å; L16-Y111 HydrophobicContact CD2-CE1 4.04Å; L16-Y111 HydrophobicContact CG-CD1 4.23Å; L16-Y111 HydrophobicContact CG-CE1 3.74Å; L16-Y111 HydrophobicContact CG-CE2 4.04Å; Q17-Y111 PolarHBondContact N-OH 3.28Å; Q17-Y111 PolarHBondContact O-OH 3.11Å; K18-Y111 HydrophobicContact CD-CD1 4.35Å; K18-Y111 HydrophobicContact CD-CE1 4.46Å; F107-Y111 HydrophobicContact CD2-CD2 4.17Å; F107-Y111 HydrophobicContact CD2-CE2 4.1Å; F107-Y111 WeakPolarHBondContact O-CD2 3.35Å; F107-Y111 PolarHBondContact O-N 3.15Å; E108-Y111 WeakPolarHBondContact O-CA 3.29Å; E108-Y111 WeakPolarHBondContact O-CB 3.22Å; E108-Y111 PolarHBondContact O-N 3.4Å; E108-Y111 VanDerWaalsContact O-N 3.07Å; K109-Y111 VanDerWaalsContact C-N 3.33Å; K109-Y111 PolarHBondContact O-N 3.22Å; Y111-L114 WeakPolarHBondContact O-CB 3.23Å; Y111-L114 PolarHBondContact O-N 2.96Å; Y111-D115 VanDerWaalsContact O-CB 3.32Å; Y111-D115 WeakPolarHBondContact O-CB 3.5Å; Y111-D115 PolarHBondContact O-N 3.42Å
112F95.7Very high96.2Very high93 Ų9349.9 Ų49.941%0.40825%0.246SC..Hα-helixtrans-64.4-43.7177.9-58.3-25000111.9E108 K109 L114 D115 E116E108-F112 HydrophobicContact CB-CE2 4.34Å; E108-F112 HydrophobicContact CB-CZ 4.27Å; E108-F112 HydrophobicContact CG-CE2 4.46Å; E108-F112 VanDerWaalsContact O-CG 3.27Å; E108-F112 WeakPolarHBondContact O-CG 3.33Å; E108-F112 PolarHBondContact O-N 3.05Å; K109-F112 HydrophobicContact CD-CD2 3.91Å; K109-F112 HydrophobicContact CD-CE2 4.31Å; K109-F112 PolarHBondContact O-N 3.12Å; F112-L114 VanDerWaalsContact C-N 3.28Å; F112-L114 PolarHBondContact O-N 3.2Å; F112-D115 CarbonylContact O-C 3.54Å; F112-D115 PolarHBondContact O-N 3.13Å; F112-D115 VanDerWaalsContact O-N 3.14Å; F112-E116 PolarHBondContact O-N 3.47Å
113I96.4Very high96.2Very high1 Ų150.1 Ų50.11%0.00525%0.247CC..Hα-helixtrans-60.3-41.3174.5-62.9162.4000110.6Y87 L90 L91 Y94 F95 K109 D115 F117 I135Y87-I113 HydrophobicContact CD2-CG2 4.32Å; Y87-I113 HydrophobicContact CE2-CB 4.34Å; Y87-I113 HydrophobicContact CE2-CG2 3.88Å; L90-I113 HydrophobicContact CB-CG2 3.85Å; L91-I113 HydrophobicContact CD2-CD1 3.82Å; L91-I113 HydrophobicContact CD2-CG2 4.37Å; Y94-I113 HydrophobicContact CD1-CD1 3.57Å; Y94-I113 HydrophobicContact CD2-CD1 4.33Å; Y94-I113 HydrophobicContact CE1-CD1 4.15Å; Y94-I113 HydrophobicContact CG-CD1 3.66Å; Y94-I113 HydrophobicContact CG-CG1 4.39Å; F95-I113 HydrophobicContact CE2-CD1 4.1Å; K109-I113 WeakPolarHBondContact O-CD1 3.4Å; K109-I113 WeakPolarHBondContact O-CG1 3.49Å; K109-I113 PolarHBondContact O-N 3.27Å; I113-D115 VanDerWaalsContact C-N 3.34Å; I113-F117 WeakPolarHBondContact O-CB 3.41Å; I113-F117 PolarHBondContact O-N 3.02Å; I113-I135 HydrophobicContact CB-CD1 4.04Å; I113-I135 HydrophobicContact CG1-CD1 3.82Å; I113-I135 HydrophobicContact CG1-CG1 4.41Å; I113-I135 HydrophobicContact CG1-CG2 4.14Å; I113-I135 HydrophobicContact CG2-CD1 3.89Å
114L97.4Very high96.2Very high0 Ų054 Ų540%027%0.265CS..Hα-helixtrans-65.1-41.3176.6-174.660.2000111.3I5 L16 K18 Y87 A110 Y111 F112 E116 F117 I118I5-L114 HydrophobicContact CD1-CD1 3.96Å; I5-L114 HydrophobicContact CD1-CD2 4.4Å; L16-L114 HydrophobicContact CD1-CD2 4.39Å; L16-L114 HydrophobicContact CD2-CD2 3.77Å; K18-L114 HydrophobicContact CB-CD2 3.74Å; K18-L114 HydrophobicContact CG-CD2 4.04Å; Y87-L114 HydrophobicContact CD1-CD1 4.36Å; Y87-L114 HydrophobicContact CD2-CD1 3.93Å; Y87-L114 HydrophobicContact CE1-CD1 4.24Å; Y87-L114 HydrophobicContact CE2-CB 3.68Å; Y87-L114 HydrophobicContact CE2-CD1 3.83Å; Y87-L114 HydrophobicContact CE2-CG 4.35Å; Y87-L114 HydrophobicContact CG-CD1 4.21Å; A110-L114 WeakPolarHBondContact O-CB 3.47Å; A110-L114 PolarHBondContact O-N 2.77Å; Y111-L114 WeakPolarHBondContact O-CB 3.23Å; Y111-L114 PolarHBondContact O-N 2.96Å; F112-L114 VanDerWaalsContact C-N 3.28Å; F112-L114 PolarHBondContact O-N 3.2Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 2.96Å; L114-F117 CarbonylContact O-C 3.52Å; L114-F117 PolarHBondContact O-N 3.45Å; L114-I118 HydrophobicContact CD1-CB 4.42Å; L114-I118 HydrophobicContact CD1-CD1 3.95Å; L114-I118 HydrophobicContact CD1-CG1 4.28Å; L114-I118 PolarHBondContact O-N 3.39Å
115D95.8Very high96.1Very high50 Ų5053.6 Ų53.627%0.26726%0.262SS..Hα-helixtrans-74.9-19.6-177.8-72.7-3.8000113.1K18 Y111 F112 I113 F117 I119 Q124K18-D115 WeakPolarHBondContact CE-OD1 3.27Å; K18-D115 IonicContact NZ-OD1 3.01Å; K18-D115 PolarHBondContact NZ-OD1 3.04Å; K18-D115 IonicContact NZ-OD2 2.66Å; K18-D115 PolarHBondContact NZ-OD2 3.34Å; Y111-D115 VanDerWaalsContact O-CB 3.32Å; Y111-D115 WeakPolarHBondContact O-CB 3.5Å; Y111-D115 PolarHBondContact O-N 3.42Å; F112-D115 CarbonylContact O-C 3.54Å; F112-D115 PolarHBondContact O-N 3.13Å; F112-D115 VanDerWaalsContact O-N 3.14Å; I113-D115 VanDerWaalsContact C-N 3.34Å; D115-F117 VanDerWaalsContact C-N 3.34Å; D115-I119 WeakPolarHBondContact O-CD1 3.47Å; D115-I119 VanDerWaalsContact O-CG1 3.3Å; D115-I119 WeakPolarHBondContact O-CG1 3.43Å; D115-Q124 PolarHBondContact O-NE2 2.95Å
116E95.2Very high96Very high67 Ų6751.5 Ų51.531%0.31326%0.262SS..THydrogen-bonded Turntrans-83.5-10.2167.1-74.6-61.7141.200112.7F112 L114 Q124 I135F112-E116 PolarHBondContact O-N 3.47Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 2.96Å; E116-Q124 VanDerWaalsContact CA-NE2 3.3Å; E116-Q124 VanDerWaalsContact O-CD 3.27Å; E116-Q124 WeakPolarHBondContact O-CG 3.38Å; E116-Q124 PolarHBondContact O-NE2 2.95Å; E116-I135 HydrophobicContact CB-CD1 4.21Å; E116-I135 HydrophobicContact CB-CG1 3.82Å; E116-I135 HydrophobicContact CG-CG1 3.75Å
117F97.1Very high95.8Very high5 Ų550.7 Ų50.72%0.02226%0.26CS..THydrogen-bonded Turntrans-108-40.7179.7-178.8-134.3000113.7I83 R86 Y87 L90 I113 L114 D115 I123 Q124 E125I83-F117 HydrophobicContact CG2-CE1 3.82Å; I83-F117 HydrophobicContact CG2-CZ 4.1Å; I83-F117 WeakPolarHBondContact O-CE1 3.39Å; R86-F117 HydrophobicContact CB-CE1 4.27Å; R86-F117 HydrophobicContact CB-CE2 4.5Å; R86-F117 HydrophobicContact CB-CZ 3.76Å; R86-F117 HydrophobicContact CG-CE1 4.21Å; R86-F117 HydrophobicContact CG-CE2 3.75Å; R86-F117 HydrophobicContact CG-CZ 3.5Å; Y87-F117 HydrophobicContact CD2-CD1 4.23Å; L90-F117 HydrophobicContact CD1-CB 3.82Å; L90-F117 HydrophobicContact CD1-CD1 3.99Å; L90-F117 HydrophobicContact CD1-CD2 3.88Å; L90-F117 HydrophobicContact CD1-CE2 4.49Å; L90-F117 HydrophobicContact CD1-CG 3.62Å; I113-F117 WeakPolarHBondContact O-CB 3.41Å; I113-F117 PolarHBondContact O-N 3.02Å; L114-F117 CarbonylContact O-C 3.52Å; L114-F117 PolarHBondContact O-N 3.45Å; D115-F117 VanDerWaalsContact C-N 3.34Å; F117-I123 HydrophobicContact CD2-CD1 4.42Å; F117-I123 HydrophobicContact CE1-CD1 3.94Å; F117-I123 HydrophobicContact CE2-CD1 3.76Å; F117-I123 HydrophobicContact CE2-CG2 4.14Å; F117-I123 HydrophobicContact CZ-CD1 3.48Å; F117-I123 VanDerWaalsContact CZ-CD1 3.48Å; F117-Q124 PolarHBondContact O-N 2.85Å; F117-E125 VanDerWaalsContact CD2-O 3.3Å; F117-E125 WeakPolarHBondContact CD2-O 3.5Å; F117-E125 WeakPolarHBondContact CE2-O 3.35Å
118I97.4Very high95.6Very high2 Ų248.4 Ų48.41%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-133.5124.9-174-54.3-179.2000109.5I2 I5 Y20 I83 L114 E122 I123I2-I118 HydrophobicContact CD1-CD1 4.21Å; I5-I118 HydrophobicContact CD1-CD1 3.69Å; Y20-I118 HydrophobicContact CE1-CG2 4.18Å; Y20-I118 HydrophobicContact CE2-CG2 4Å; Y20-I118 WeakPolarHBondContact OH-CB 3.3Å; Y20-I118 WeakPolarHBondContact OH-CG2 3.48Å; I83-I118 HydrophobicContact CG2-CD1 3.71Å; L114-I118 HydrophobicContact CD1-CB 4.42Å; L114-I118 HydrophobicContact CD1-CD1 3.95Å; L114-I118 HydrophobicContact CD1-CG1 4.28Å; L114-I118 PolarHBondContact O-N 3.39Å; I118-E122 WeakPolarHBondContact CA-O 3.33Å; I118-E122 WeakPolarHBondContact CG2-O 3.4Å; I118-I123 HydrophobicContact CD1-CD1 4.09Å; I118-I123 HydrophobicContact CG1-CD1 3.75Å
119I96.1Very high95.4Very high101 Ų10153 Ų5352%0.51827%0.269SS..EExtended strand (participates in β ladder)trans-130137174.8-70.4174.7000108.9D115 G121 E122 Q124D115-I119 WeakPolarHBondContact O-CD1 3.47Å; D115-I119 VanDerWaalsContact O-CG1 3.3Å; D115-I119 WeakPolarHBondContact O-CG1 3.43Å; I119-G121 PolarHBondContact O-N 2.99Å; I119-G121 VanDerWaalsContact O-N 3.13Å; I119-E122 PolarHBondContact N-O 3.24Å; I119-E122 PolarHBondContact O-N 3.17Å; I119-E122 VanDerWaalsContact O-N 3.07Å; I119-E122 VanDerWaalsContact O-O 3.12Å; I119-Q124 VanDerWaalsContact CD1-NE2 3.34Å; I119-Q124 VanDerWaalsContact CG1-NE2 3.35Å
120G96.4Very high95.3Very high44 Ų4455.6 Ų55.645%0.45428%0.284SS..THydrogen-bonded Turntrans59.627.4177.400000113.7M1 E122M1-G120 WeakPolarHBondContact CE-O 3.43Å; G120-E122 VanDerWaalsContact C-N 3.3Å; G120-E122 PolarHBondContact O-N 3.29Å
121G96.8Very high95.1Very high0 Ų055.7 Ų55.70%029%0.285CS..THydrogen-bonded Turntrans78.69.6-179.600000115I2 Y20 I119I2-G121 WeakPolarHBondContact CB-O 3.37Å; I2-G121 WeakPolarHBondContact CG1-O 3.48Å; I2-G121 PolarHBondContact N-O 3.02Å; I2-G121 VanDerWaalsContact O-CA 3.3Å; I2-G121 WeakPolarHBondContact O-CA 3.35Å; Y20-G121 VanDerWaalsContact CG-CA 3.5Å; Y20-G121 VanDerWaalsContact CG-N 3.29Å; I119-G121 PolarHBondContact O-N 2.99Å; I119-G121 VanDerWaalsContact O-N 3.13Å
122E96.4Very high94.7Very high100 Ų10053.1 Ų53.147%0.46728%0.275SS..EExtended strand (participates in β ladder)trans-127.7155.3179.2-61.2-60.3160.300111.2M1 I118 I119 G120 Q124M1-E122 WeakPolarHBondContact CA-OE1 3.34Å; M1-E122 VanDerWaalsContact CB-OE1 3.27Å; M1-E122 WeakPolarHBondContact CB-OE1 3.36Å; I118-E122 WeakPolarHBondContact CA-O 3.33Å; I118-E122 WeakPolarHBondContact CG2-O 3.4Å; I119-E122 PolarHBondContact N-O 3.24Å; I119-E122 PolarHBondContact O-N 3.17Å; I119-E122 VanDerWaalsContact O-N 3.07Å; I119-E122 VanDerWaalsContact O-O 3.12Å; G120-E122 VanDerWaalsContact C-N 3.3Å; G120-E122 PolarHBondContact O-N 3.29Å; E122-Q124 PolarHBondContact O-N 3.28Å
123I96.4Very high94.5Very high51 Ų5154.6 Ų54.626%0.26228%0.281SS..EExtended strand (participates in β ladder)trans-71.9127177.7-60.7-68.3000109.5I83 F117 I118 T126I83-I123 HydrophobicContact CB-CD1 4.17Å; I83-I123 HydrophobicContact CD1-CD1 3.66Å; I83-I123 HydrophobicContact CD1-CG1 3.52Å; I83-I123 HydrophobicContact CG1-CD1 3.6Å; I83-I123 HydrophobicContact CG1-CG1 3.88Å; I83-I123 HydrophobicContact CG2-CD1 3.54Å; F117-I123 HydrophobicContact CD2-CD1 4.42Å; F117-I123 HydrophobicContact CE1-CD1 3.94Å; F117-I123 HydrophobicContact CE2-CD1 3.76Å; F117-I123 HydrophobicContact CE2-CG2 4.14Å; F117-I123 HydrophobicContact CZ-CD1 3.48Å; F117-I123 VanDerWaalsContact CZ-CD1 3.48Å; I118-I123 HydrophobicContact CD1-CD1 4.09Å; I118-I123 HydrophobicContact CG1-CD1 3.75Å; I123-T126 HydrophobicContact CG2-CG2 3.94Å
124Q95.9Very high94.4Very high85 Ų8555.9 Ų55.940%0.39729%0.292SS..SBendtrans-94.5-38.917583.6-175.5-65.900112.3D115 E116 F117 I119 E122D115-Q124 PolarHBondContact O-NE2 2.95Å; E116-Q124 VanDerWaalsContact CA-NE2 3.3Å; E116-Q124 VanDerWaalsContact O-CD 3.27Å; E116-Q124 WeakPolarHBondContact O-CG 3.38Å; E116-Q124 PolarHBondContact O-NE2 2.95Å; F117-Q124 PolarHBondContact O-N 2.85Å; I119-Q124 VanDerWaalsContact CD1-NE2 3.34Å; I119-Q124 VanDerWaalsContact CG1-NE2 3.35Å; E122-Q124 PolarHBondContact O-N 3.28Å
125E94Very high94.1Very high48 Ų4856 Ų5622%0.22429%0.292CS..  trans-131.1121-172.9-179.352-97.600109.5F117 S127 I130 A131F117-E125 VanDerWaalsContact CD2-O 3.3Å; F117-E125 WeakPolarHBondContact CD2-O 3.5Å; F117-E125 WeakPolarHBondContact CE2-O 3.35Å; E125-S127 WeakPolarHBondContact OE1-CA 3.47Å; E125-S127 VanDerWaalsContact OE1-CB 3.23Å; E125-S127 WeakPolarHBondContact OE1-CB 3.42Å; E125-S127 PolarHBondContact OE1-N 3.43Å; E125-I130 HydrophobicContact CG-CB 4.21Å; E125-I130 HydrophobicContact CG-CG2 4.31Å; E125-I130 VanDerWaalsContact OE2-CG2 3.25Å; E125-I130 WeakPolarHBondContact OE2-CG2 3.41Å; E125-A131 HydrophobicContact CG-CB 3.96Å
126T93.8Very high93.9Very high107 Ų10758.3 Ų58.366%0.65630%0.301SS*.  trans-95.7-15-177.559.90000112.2R86 I123R86-T126 PolarHBondContact NH1-O 3.28Å; I123-T126 HydrophobicContact CG2-CG2 3.94Å
127S92.5Very high93.8Very high41 Ų4159.4 Ų59.429%0.28731%0.31SS..  trans-91.6112.7178.6-179.10000111.3E125 K129 I130 A131E125-S127 WeakPolarHBondContact OE1-CA 3.47Å; E125-S127 VanDerWaalsContact OE1-CB 3.23Å; E125-S127 WeakPolarHBondContact OE1-CB 3.42Å; E125-S127 PolarHBondContact OE1-N 3.43Å; S127-K129 PolarHBondContact O-N 3.39Å; S127-K129 VanDerWaalsContact O-N 3.12Å; S127-K129 PolarHBondContact OG-N 2.98Å; S127-I130 PolarHBondContact O-N 3.14Å; S127-I130 VanDerWaalsContact O-N 3.14Å; S127-I130 PolarHBondContact OG-N 3.46Å; S127-A131 PolarHBondContact O-N 3.24Å
128K90.2Very high93.5Very high63 Ų6362.1 Ų62.127%0.27433%0.329SS..Hα-helixtrans-53.9-33.4172.3-171.9-171.3-60.91790112.5E89 L90 K93 V132E89-K128 HydrophobicContact CB-CD 4.41Å; E89-K128 IonicContact OE1-NZ 2.86Å; E89-K128 PolarHBondContact OE1-NZ 3.47Å; E89-K128 WeakPolarHBondContact OE2-CE 3.48Å; E89-K128 IonicContact OE2-NZ 2.63Å; E89-K128 PolarHBondContact OE2-NZ 3.09Å; L90-K128 HydrophobicContact CD2-CB 4.41Å; L90-K128 HydrophobicContact CD2-CG 3.77Å; K93-K128 HydrophobicContact CD-CD 4.4Å; K128-V132 WeakPolarHBondContact O-CG2 3.44Å; K128-V132 PolarHBondContact O-N 3.36Å
129K90.8Very high93.2Very high162 Ų16263.1 Ų63.170%0.70433%0.334SS*.Hα-helixtrans-71.1-41.3-178.2-174.7178.1178.2-178.70111.5S127 K133S127-K129 PolarHBondContact O-N 3.39Å; S127-K129 VanDerWaalsContact O-N 3.12Å; S127-K129 PolarHBondContact OG-N 2.98Å; K129-K133 WeakPolarHBondContact O-CB 3.48Å; K129-K133 PolarHBondContact O-N 2.92Å
130I93.4Very high93Very high93 Ų9363.6 Ų63.648%0.47734%0.336SS..Hα-helixtrans-73.9-46.4-177.8-61.3173.5000109.7E125 S127 V132 K133 A134E125-I130 HydrophobicContact CG-CB 4.21Å; E125-I130 HydrophobicContact CG-CG2 4.31Å; E125-I130 VanDerWaalsContact OE2-CG2 3.25Å; E125-I130 WeakPolarHBondContact OE2-CG2 3.41Å; S127-I130 PolarHBondContact O-N 3.14Å; S127-I130 VanDerWaalsContact O-N 3.14Å; S127-I130 PolarHBondContact OG-N 3.46Å; I130-V132 PolarHBondContact O-N 3.17Å; I130-K133 PolarHBondContact O-N 2.96Å; I130-K133 VanDerWaalsContact O-N 3.15Å; I130-A134 PolarHBondContact O-N 3.07Å
131A91.3Very high92.8Very high2 Ų266.6 Ų66.62%0.01734%0.341CS..Hα-helixtrans-55.4-50.817800000112.3L90 E125 S127 K133 A134 I135L90-A131 HydrophobicContact CD1-CB 4.47Å; L90-A131 HydrophobicContact CD2-CB 3.89Å; E125-A131 HydrophobicContact CG-CB 3.96Å; S127-A131 PolarHBondContact O-N 3.24Å; A131-K133 VanDerWaalsContact C-N 3.32Å; A131-K133 PolarHBondContact O-N 2.78Å; A131-A134 PolarHBondContact O-N 3.45Å; A131-I135 WeakPolarHBondContact O-CD1 3.49Å; A131-I135 VanDerWaalsContact O-CG1 3.3Å; A131-I135 WeakPolarHBondContact O-CG1 3.46Å; A131-I135 PolarHBondContact O-N 3.38Å; A131-I135 VanDerWaalsContact O-N 3.11Å
132V89.3Confident92.4Very high1 Ų170.2 Ų70.21%0.00636%0.358CS..Hα-helixtrans-63.3-39.1178.7173.90000112.3L90 K93 K128 I130 A134 I135 E136L90-V132 HydrophobicContact CD2-CG2 3.55Å; K93-V132 HydrophobicContact CB-CG2 4.37Å; K93-V132 HydrophobicContact CD-CB 4.36Å; K93-V132 HydrophobicContact CD-CG1 4.27Å; K93-V132 HydrophobicContact CD-CG2 3.89Å; K93-V132 HydrophobicContact CG-CG1 4.28Å; K93-V132 HydrophobicContact CG-CG2 4.18Å; K128-V132 WeakPolarHBondContact O-CG2 3.44Å; K128-V132 PolarHBondContact O-N 3.36Å; I130-V132 PolarHBondContact O-N 3.17Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.3Å; V132-I135 PolarHBondContact O-N 2.96Å; V132-E136 HydrophobicContact CG1-CG 4.29Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.35Å; V132-E136 WeakPolarHBondContact O-CG 3.21Å; V132-E136 PolarHBondContact O-N 2.94Å
133K92.5Very high92Very high123 Ų12370.8 Ų70.854%0.53536%0.36SS..Hα-helixtrans-62.3-42.4176.6-174.9-175.7173.9-169.20111.6K129 I130 A131 I135 E136 D137K129-K133 WeakPolarHBondContact O-CB 3.48Å; K129-K133 PolarHBondContact O-N 2.92Å; I130-K133 PolarHBondContact O-N 2.96Å; I130-K133 VanDerWaalsContact O-N 3.15Å; A131-K133 VanDerWaalsContact C-N 3.32Å; A131-K133 PolarHBondContact O-N 2.78Å; K133-I135 VanDerWaalsContact C-N 3.29Å; K133-I135 PolarHBondContact O-N 2.55Å; K133-E136 PolarHBondContact O-N 3.37Å; K133-D137 WeakPolarHBondContact CE-OD2 3.49Å; K133-D137 WeakPolarHBondContact O-CB 3.46Å; K133-D137 VanDerWaalsContact O-CG 3.24Å; K133-D137 PolarHBondContact O-N 3.42Å
134A93.3Very high91.6Very high28 Ų2872.3 Ų72.323%0.23137%0.372CS..Hα-helixtrans-62.6-38.1178.100000112.1I130 A131 V132 S138I130-A134 PolarHBondContact O-N 3.07Å; A131-A134 PolarHBondContact O-N 3.45Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.3Å; A134-S138 WeakPolarHBondContact O-CB 3.28Å; A134-S138 PolarHBondContact O-N 2.89Å; A134-S138 PolarHBondContact O-OG 3.05Å
135I91.6Very high91Very high4 Ų473.7 Ų73.72%0.02138%0.38CS..Hα-helixtrans-64.9-47.5174.4-61.5153.7000110.6Y94 I113 E116 A131 V132 K133 S138 D139Y94-I135 HydrophobicContact CD2-CG2 3.69Å; Y94-I135 HydrophobicContact CE2-CG2 3.48Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.48Å; I113-I135 HydrophobicContact CB-CD1 4.04Å; I113-I135 HydrophobicContact CG1-CD1 3.82Å; I113-I135 HydrophobicContact CG1-CG1 4.41Å; I113-I135 HydrophobicContact CG1-CG2 4.14Å; I113-I135 HydrophobicContact CG2-CD1 3.89Å; E116-I135 HydrophobicContact CB-CD1 4.21Å; E116-I135 HydrophobicContact CB-CG1 3.82Å; E116-I135 HydrophobicContact CG-CG1 3.75Å; A131-I135 WeakPolarHBondContact O-CD1 3.49Å; A131-I135 VanDerWaalsContact O-CG1 3.3Å; A131-I135 WeakPolarHBondContact O-CG1 3.46Å; A131-I135 PolarHBondContact O-N 3.38Å; A131-I135 VanDerWaalsContact O-N 3.11Å; V132-I135 PolarHBondContact O-N 2.96Å; K133-I135 VanDerWaalsContact C-N 3.29Å; K133-I135 PolarHBondContact O-N 2.55Å; I135-S138 WeakPolarHBondContact O-CB 3.38Å; I135-S138 PolarHBondContact O-N 3.06Å; I135-D139 PolarHBondContact O-N 2.65Å
136E91.2Very high90.6Very high97 Ų9776 Ų7645%0.45339%0.391SS..Hα-helixtrans-60.2-46.2176.9-71.8168-179.800111.9V132 K133 S138 D139 M140V132-E136 HydrophobicContact CG1-CG 4.29Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.35Å; V132-E136 WeakPolarHBondContact O-CG 3.21Å; V132-E136 PolarHBondContact O-N 2.94Å; K133-E136 PolarHBondContact O-N 3.37Å; E136-S138 VanDerWaalsContact C-N 3.27Å; E136-S138 PolarHBondContact O-N 2.9Å; E136-D139 PolarHBondContact O-N 3.27Å; E136-M140 WeakPolarHBondContact O-CG 3.34Å; E136-M140 PolarHBondContact O-N 3.36Å
137D93.3Very high90.2Very high91 Ų9177.5 Ų77.549%0.48739%0.39SS..Hα-helixtrans-62.1-36.9177.8-70.9-20.8000111K133 L141K133-D137 WeakPolarHBondContact CE-OD2 3.49Å; K133-D137 WeakPolarHBondContact O-CB 3.46Å; K133-D137 VanDerWaalsContact O-CG 3.24Å; K133-D137 PolarHBondContact O-N 3.42Å; D137-L141 WeakPolarHBondContact O-CB 3.19Å; D137-L141 PolarHBondContact O-N 2.9Å
138S91.7Very high89.7Confident61 Ų6183.8 Ų83.843%0.42741%0.409SS..Hα-helixtrans-69.3-40.4176.7-62.40000112.6A134 I135 E136 L141 Q142A134-S138 WeakPolarHBondContact O-CB 3.28Å; A134-S138 PolarHBondContact O-N 2.89Å; A134-S138 PolarHBondContact O-OG 3.05Å; I135-S138 WeakPolarHBondContact O-CB 3.38Å; I135-S138 PolarHBondContact O-N 3.06Å; E136-S138 VanDerWaalsContact C-N 3.27Å; E136-S138 PolarHBondContact O-N 2.9Å; S138-L141 PolarHBondContact O-N 2.88Å; S138-Q142 PolarHBondContact O-N 2.89Å
139D90.9Very high89.3Confident24 Ų2487.7 Ų87.713%0.12843%0.43CS..Hα-helixtrans-64.4-45.5176.1-78-16.5000111.5Y94 K109 I135 E136 L141 Q142 E143Y94-D139 WeakPolarHBondContact CE2-OD2 3.38Å; Y94-D139 VanDerWaalsContact CZ-OD2 3.28Å; Y94-D139 PolarHBondContact OH-OD2 2.85Å; K109-D139 IonicContact NZ-OD1 2.85Å; K109-D139 PolarHBondContact NZ-OD1 2.64Å; K109-D139 IonicContact NZ-OD2 3.22Å; I135-D139 PolarHBondContact O-N 2.65Å; E136-D139 PolarHBondContact O-N 3.27Å; D139-L141 VanDerWaalsContact C-N 3.25Å; D139-L141 PolarHBondContact O-N 2.76Å; D139-Q142 WeakPolarHBondContact O-CB 3.05Å; D139-Q142 PolarHBondContact O-N 2.74Å; D139-Q142 VanDerWaalsContact O-N 3.11Å; D139-E143 WeakPolarHBondContact O-CG 3.09Å; D139-E143 PolarHBondContact O-N 3.08Å
140M92.3Very high88.8Confident111 Ų11186.3 Ų86.355%0.54743%0.43SS..Hα-helixtrans-58.1-39.3175.9-72.1-61.3-5100112.3E136 T144E136-M140 WeakPolarHBondContact O-CG 3.34Å; E136-M140 PolarHBondContact O-N 3.36Å; M140-T144 WeakPolarHBondContact O-CB 3.37Å; M140-T144 PolarHBondContact O-N 3.35Å; M140-T144 PolarHBondContact O-OG1 3.48Å
141L91.6Very high88Confident106 Ų10688.6 Ų88.656%0.55544%0.437SS*.Hα-helixtrans-68.7-40.6177.5-171.1145.3000111.2D137 S138 D139 T144 M145D137-L141 WeakPolarHBondContact O-CB 3.19Å; D137-L141 PolarHBondContact O-N 2.9Å; S138-L141 PolarHBondContact O-N 2.88Å; D139-L141 VanDerWaalsContact C-N 3.25Å; D139-L141 PolarHBondContact O-N 2.76Å; L141-T144 PolarHBondContact O-N 3.12Å; L141-M145 HydrophobicContact CD2-CG 4.23Å; L141-M145 HydrophobicContact CD2-SD 3.42Å; L141-M145 WeakPolarHBondContact CD2-SD 3.39Å; L141-M145 HydrophobicContact CG-SD 4.5Å; L141-M145 WeakPolarHBondContact O-CG 3.41Å; L141-M145 PolarHBondContact O-N 2.73Å
142Q88.3Confident86.9Confident76 Ų7693.8 Ų93.836%0.35547%0.47SS..Hα-helixtrans-60.1-48.6175.4-170.1-172.5-34.300111.1S138 D139 T144 M145 E146S138-Q142 PolarHBondContact O-N 2.89Å; D139-Q142 WeakPolarHBondContact O-CB 3.05Å; D139-Q142 PolarHBondContact O-N 2.74Å; D139-Q142 VanDerWaalsContact O-N 3.11Å; Q142-T144 PolarHBondContact O-N 2.97Å; Q142-M145 PolarHBondContact O-N 2.97Å; Q142-E146 PolarHBondContact NE2-OE1 3.06Å; Q142-E146 WeakPolarHBondContact O-CG 3.33Å; Q142-E146 PolarHBondContact O-N 3.49Å
143E87.6Confident86.1Confident112 Ų112100.4 Ų100.452%0.52351%0.511SS..Hα-helixtrans-59.2-46177.7-70.6178.1179.200111.8D139 M145 E146 E147D139-E143 WeakPolarHBondContact O-CG 3.09Å; D139-E143 PolarHBondContact O-N 3.08Å; E143-M145 VanDerWaalsContact C-N 3.29Å; E143-M145 PolarHBondContact O-N 3.48Å; E143-E146 PolarHBondContact O-N 2.88Å; E143-E147 PolarHBondContact O-N 2.9Å
144T87.7Confident84.4Confident84 Ų84107.9 Ų107.952%0.51554%0.544SS..Hα-helixtrans-61.1-38.6178.5-55.90000112M140 L141 Q142 Y148M140-T144 WeakPolarHBondContact O-CB 3.37Å; M140-T144 PolarHBondContact O-N 3.35Å; M140-T144 PolarHBondContact O-OG1 3.48Å; L141-T144 PolarHBondContact O-N 3.12Å; Q142-T144 PolarHBondContact O-N 2.97Å; T144-Y148 PolarHBondContact O-N 3.11Å; T144-Y148 VanDerWaalsContact O-N 3.09Å
145M84.6Confident84Confident113 Ų113111.9 Ų111.956%0.55756%0.56SS**Hα-helixtrans-68.8-42.5177.3-75.517962.500112L141 Q142 E143 E147 Y148 M149L141-M145 HydrophobicContact CD2-CG 4.23Å; L141-M145 HydrophobicContact CD2-SD 3.42Å; L141-M145 WeakPolarHBondContact CD2-SD 3.39Å; L141-M145 HydrophobicContact CG-SD 4.5Å; L141-M145 WeakPolarHBondContact O-CG 3.41Å; L141-M145 PolarHBondContact O-N 2.73Å; Q142-M145 PolarHBondContact O-N 2.97Å; E143-M145 VanDerWaalsContact C-N 3.29Å; E143-M145 PolarHBondContact O-N 3.48Å; M145-E147 VanDerWaalsContact C-N 3.34Å; M145-E147 PolarHBondContact O-N 3.31Å; M145-Y148 PolarHBondContact O-N 2.79Å; M145-M149 WeakPolarHBondContact O-CB 3.28Å; M145-M149 VanDerWaalsContact O-CG 3.28Å; M145-M149 WeakPolarHBondContact O-CG 3.27Å; M145-M149 PolarHBondContact O-N 3.11Å
146E85Confident83.6Confident98 Ų98117.5 Ų117.546%0.45859%0.588SS.*Hα-helixtrans-61.2-43.1176.6-72.8176.2-166.600111.1Q142 E143 Y148 M149 N150Q142-E146 PolarHBondContact NE2-OE1 3.06Å; Q142-E146 WeakPolarHBondContact O-CG 3.33Å; Q142-E146 PolarHBondContact O-N 3.49Å; E143-E146 PolarHBondContact O-N 2.88Å; E146-Y148 PolarHBondContact O-N 3.27Å; E146-M149 PolarHBondContact O-N 2.94Å; E146-N150 WeakPolarHBondContact O-CB 3.15Å; E146-N150 PolarHBondContact O-N 2.85Å; E146-N150 VanDerWaalsContact O-N 3.08Å; E146-N150 PolarHBondContact O-ND2 3.22Å
147E84.5Confident83.2Confident137 Ų137118.7 Ų118.764%0.6460%0.595SS**Hα-helixtrans-60.4-42.4173.3-73.6-172.517500112.8E143 M145 K151E143-E147 PolarHBondContact O-N 2.9Å; M145-E147 VanDerWaalsContact C-N 3.34Å; M145-E147 PolarHBondContact O-N 3.31Å; E147-K151 PolarHBondContact O-N 2.88Å
148Y81.9Confident82.6Confident173 Ų173120.3 Ų120.368%0.67860%0.602SS**Hα-helixtrans-65.3-44.7179.1-174.5-92.1000112T144 M145 E146 N150 K151T144-Y148 PolarHBondContact O-N 3.11Å; T144-Y148 VanDerWaalsContact O-N 3.09Å; M145-Y148 PolarHBondContact O-N 2.79Å; E146-Y148 PolarHBondContact O-N 3.27Å; Y148-N150 VanDerWaalsContact C-N 3.29Å; Y148-N150 PolarHBondContact O-N 3.22Å; Y148-K151 PolarHBondContact O-N 3.43Å
149M82.3Confident82Confident146 Ų146124 Ų12472%0.71961%0.613SS**Hα-helixtrans-68.7-27.3-179-69.6-62.3-65.100113.1M145 E146 K151M145-M149 WeakPolarHBondContact O-CB 3.28Å; M145-M149 VanDerWaalsContact O-CG 3.28Å; M145-M149 WeakPolarHBondContact O-CG 3.27Å; M145-M149 PolarHBondContact O-N 3.11Å; E146-M149 PolarHBondContact O-N 2.94Å; M149-K151 VanDerWaalsContact C-N 3.33Å
150N81.3Confident81.4Confident133 Ų133130.7 Ų130.771%0.71165%0.645SS**THydrogen-bonded Turntrans-85-3.4178.7-71-30.6000113.6E146 Y148E146-N150 WeakPolarHBondContact O-CB 3.15Å; E146-N150 PolarHBondContact O-N 2.85Å; E146-N150 VanDerWaalsContact O-N 3.08Å; E146-N150 PolarHBondContact O-ND2 3.22Å; Y148-N150 VanDerWaalsContact C-N 3.29Å; Y148-N150 PolarHBondContact O-N 3.22Å
151K76.9Confident80.6Confident141 Ų141132.1 Ų132.161%0.61365%0.652SS**SBendtrans-69.3133.2172-76.1177.6-178.5174.40109.8E147 Y148 M149 T153E147-K151 PolarHBondContact O-N 2.88Å; Y148-K151 PolarHBondContact O-N 3.43Å; M149-K151 VanDerWaalsContact C-N 3.33Å; K151-T153 PolarHBondContact O-N 2.87Å
152P67.4Low79.8Confident110 Ų110134.1 Ų134.171%0.71466%0.66SS**PPolyproline II helixtrans-59.1126.3176.922.1-29.6000109.5F154P152-F154 PolarHBondContact O-N 2.95Å
153T71.7Confident79.1Confident141 Ų141138.9 Ų138.987%0.86569%0.685SS**PPolyproline II helixtrans-67.5119.9167.715.60000107.1K151K151-T153 PolarHBondContact O-N 2.87Å
154F58.3Low78.3Confident279 Ų279141.4 Ų141.4100%1.22470%0.7SS**  trans-63.10174.5-74.8-84.6000111.4P152P152-F154 PolarHBondContact O-N 2.95Å

Retrieved 154 of 154 residues in 100.2 ms (Link to these results)

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