A0A077ZE53_TRITR Loading...

AP complex subunit sigma

AlphaFold DB , UniProt , Accession A0A077ZE53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 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
1M94.6Very high97.8Very high54 Ų5432.9 Ų32.927%0.26617%0.165SC..  01490-176-175.978.300111.1R3 I21 C71 D72 D75 G121 E122M1-R3 PolarHBondContact O-N 3.17Å; M1-I21 HydrophobicContact CE-CG2 3.69Å; M1-C71 WeakPolarHBondContact O-CA 3.49Å; M1-D72 PolarHBondContact N-OD2 3.22Å; M1-D72 PolarHBondContact O-N 2.89Å; M1-D75 VanDerWaalsContact N-CG 3.27Å; M1-D75 PolarHBondContact N-OD1 2.92Å; M1-D75 VanDerWaalsContact N-OD1 3.13Å; M1-D75 PolarHBondContact N-OD2 2.8Å; M1-G121 VanDerWaalsContact CG-O 3.3Å; M1-G121 WeakPolarHBondContact CG-O 3.48Å; M1-E122 WeakPolarHBondContact CA-OE1 3.48Å; M1-E122 WeakPolarHBondContact CB-OE1 3.42Å; M1-E122 VanDerWaalsContact CG-OE1 3.3Å; M1-E122 WeakPolarHBondContact CG-OE1 3.3Å
2I98.4Very high97.7Very high0 Ų032.2 Ų32.20%017%0.172CC..EExtended strand (participates in β ladder)trans-69.3125.5171.5-55.3170.7000110.2I5 Y20 I69 C70 Y80 F118 G121I2-I5 HydrophobicContact CG2-CG1 4.01Å; I2-Y20 HydrophobicContact CB-CD2 4.29Å; I2-Y20 HydrophobicContact CG2-CD2 3.77Å; I2-Y20 HydrophobicContact CG2-CE2 4.05Å; I2-I69 HydrophobicContact CB-CG2 4.39Å; I2-I69 HydrophobicContact CD1-CG2 4.35Å; I2-I69 HydrophobicContact CG1-CG2 3.9Å; I2-I69 HydrophobicContact CG2-CG2 3.86Å; I2-C70 CarbonylContact C-O 3.51Å; I2-Y80 HydrophobicContact CD1-CD1 4.11Å; I2-Y80 HydrophobicContact CD1-CE1 3.78Å; I2-Y80 HydrophobicContact CG1-CD1 3.89Å; I2-Y80 HydrophobicContact CG1-CE1 3.29Å; I2-F118 HydrophobicContact CD1-CD1 3.72Å; I2-F118 HydrophobicContact CD1-CE1 4.16Å; I2-G121 WeakPolarHBondContact CA-O 3.3Å; I2-G121 WeakPolarHBondContact CB-O 3.4Å; I2-G121 WeakPolarHBondContact CG1-O 3.46Å; I2-G121 PolarHBondContact N-O 2.72Å; I2-G121 WeakPolarHBondContact O-CA 3.33Å
3R98.2Very high97.7Very high55 Ų5539.9 Ų39.921%0.20820%0.204CC..EExtended strand (participates in β ladder)trans-85.9-46.2173.6-56.2-48.7-171.4163-3.5111.4M1 Y20 I21 F55 C70 D72M1-R3 PolarHBondContact O-N 3.17Å; R3-Y20 PolarHBondContact O-N 3.47Å; R3-I21 HydrophobicContact CB-CD1 4.01Å; R3-I21 HydrophobicContact CB-CG1 4.07Å; R3-I21 HydrophobicContact CG-CD1 4.18Å; R3-I21 PolarHBondContact O-N 2.87Å; R3-F55 HydrophobicContact CG-CD1 4Å; R3-F55 HydrophobicContact CG-CE1 3.95Å; R3-F55 HydrophobicContact CG-CZ 4.41Å; R3-C70 HydrophobicContact CB-CB 4.32Å; R3-C70 PolarHBondContact N-O 2.92Å; R3-D72 IonicContact CZ-OD1 3.67Å; R3-D72 IonicContact CZ-OD2 3.43Å; R3-D72 IonicContact NE-OD1 3.39Å; R3-D72 PolarHBondContact NE-OD1 3.43Å; R3-D72 IonicContact NE-OD2 2.63Å; R3-D72 IonicContact NH2-OD1 3.75Å; R3-D72 PolarHBondContact NH2-OD1 3.01Å; R3-D72 IonicContact NH2-OD2 3.36Å; R3-D72 PolarHBondContact NH2-OD2 3.45Å
4F98.7Very high97.8Very high0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-160.7161.5177.157.9-101.5000112.1L6 K18 W19 F23 L31 V35 I57 C70F4-L6 HydrophobicContact CD2-CD1 4.01Å; F4-L6 HydrophobicContact CD2-CG 3.78Å; F4-L6 HydrophobicContact CE2-CD1 3.66Å; F4-L6 HydrophobicContact CE2-CG 3.95Å; F4-K18 CarbonylContact C-O 3.6Å; F4-K18 WeakPolarHBondContact CA-O 3.27Å; F4-K18 VanDerWaalsContact CB-O 3.22Å; F4-K18 WeakPolarHBondContact CB-O 3.45Å; F4-W19 HydrophobicContact CB-CD2 4.03Å; F4-W19 HydrophobicContact CB-CE3 3.44Å; F4-W19 VanDerWaalsContact CB-CE3 3.44Å; F4-W19 HydrophobicContact CB-CZ3 3.81Å; F4-W19 AromaticContact CD1-CE3 3.76Å; F4-W19 HydrophobicContact CD1-CE3 3.76Å; F4-W19 HydrophobicContact CD1-CH2 4.37Å; F4-W19 AromaticContact CD1-CZ3 3.39Å; F4-W19 HydrophobicContact CD1-CZ3 3.39Å; F4-W19 HydrophobicContact CD2-CZ3 4.23Å; F4-W19 AromaticContact CE1-CZ3 3.9Å; F4-W19 HydrophobicContact CE1-CZ3 3.9Å; F4-W19 AromaticContact CG-CE3 3.75Å; F4-W19 HydrophobicContact CG-CE3 3.75Å; F4-W19 HydrophobicContact CG-CH2 4.32Å; F4-W19 AromaticContact CG-CZ3 3.56Å; F4-W19 HydrophobicContact CG-CZ3 3.56Å; F4-W19 HydrophobicContact CZ-CZ3 4.49Å; F4-F23 AromaticContact CD1-CE2 3.87Å; F4-F23 HydrophobicContact CD1-CE2 3.87Å; F4-F23 HydrophobicContact CD1-CZ 4.28Å; F4-F23 HydrophobicContact CE1-CE2 4.4Å; F4-F23 HydrophobicContact CE1-CZ 4.41Å; F4-L31 HydrophobicContact CE1-CD1 4.16Å; F4-L31 HydrophobicContact CE1-CD2 4.45Å; F4-V35 HydrophobicContact CE2-CG2 4.16Å; F4-V35 HydrophobicContact CZ-CG2 4.1Å; F4-I57 HydrophobicContact CE2-CD1 4.31Å; F4-I57 HydrophobicContact CZ-CD1 4.22Å; F4-C70 HydrophobicContact CD1-CB 3.71Å; F4-C70 HydrophobicContact CD2-CB 3.62Å; F4-C70 HydrophobicContact CE1-CB 3.45Å; F4-C70 VanDerWaalsContact CE1-CB 3.45Å; F4-C70 WeakPolarHBondContact CE1-SG 3.12Å; F4-C70 HydrophobicContact CE2-CB 3.35Å; F4-C70 HydrophobicContact CG-CB 3.82Å; F4-C70 HydrophobicContact CZ-CB 3.27Å; F4-C70 PolarHBondContact O-N 3.38Å
5I98.8Very high97.8Very high9 Ų942.5 Ų42.55%0.04621%0.214CC..EExtended strand (participates in β ladder)trans-119.7130.4173.1-52.6178.9000107.9I2 L16 A17 K18 Y20 C68 I69 V114 F118I2-I5 HydrophobicContact CG2-CG1 4.01Å; I5-L16 HydrophobicContact CB-CD2 4.34Å; I5-L16 HydrophobicContact CG2-CD2 4.07Å; I5-A17 WeakPolarHBondContact O-CA 3.37Å; I5-K18 HydrophobicContact CB-CB 4.35Å; I5-K18 PolarHBondContact N-O 3.38Å; I5-K18 PolarHBondContact O-N 3.14Å; I5-Y20 HydrophobicContact CD1-CE2 3.95Å; I5-Y20 HydrophobicContact CG1-CE2 4.08Å; I5-C68 WeakPolarHBondContact CA-O 3.47Å; I5-I69 HydrophobicContact CG1-CG1 4.25Å; I5-I69 HydrophobicContact CG2-CG1 4.44Å; I5-V114 HydrophobicContact CD1-CG1 4.33Å; I5-F118 HydrophobicContact CD1-CB 4.36Å; I5-F118 HydrophobicContact CD1-CD1 4.3Å; I5-F118 HydrophobicContact CD1-CD2 3.95Å; I5-F118 HydrophobicContact CD1-CE2 4.28Å; I5-F118 HydrophobicContact CD1-CG 3.96Å
6L98.8Very high97.9Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-125.3137.9175-67.7177.8000110.3F4 L16 A17 W19 I32 V35 C68F4-L6 HydrophobicContact CD2-CD1 4.01Å; F4-L6 HydrophobicContact CD2-CG 3.78Å; F4-L6 HydrophobicContact CE2-CD1 3.66Å; F4-L6 HydrophobicContact CE2-CG 3.95Å; L6-L16 WeakPolarHBondContact CA-O 3.48Å; L6-A17 HydrophobicContact CD2-CB 3.55Å; L6-W19 HydrophobicContact CD2-CZ2 4.3Å; L6-I32 HydrophobicContact CD1-CG1 4.05Å; L6-I32 HydrophobicContact CD2-CD1 4.46Å; L6-I32 HydrophobicContact CD2-CG1 3.86Å; L6-V35 HydrophobicContact CD1-CB 4.17Å; L6-V35 HydrophobicContact CD1-CG1 4.21Å; L6-V35 HydrophobicContact CD1-CG2 4.32Å; L6-C68 HydrophobicContact CB-CB 4.35Å; L6-C68 PolarHBondContact N-O 3.1Å; L6-C68 PolarHBondContact O-N 2.93Å
7I98.8Very high97.9Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-122121.9166.3-52.6171.6000107.3T14 R15 L16 L65 Y66 F67 F87 L103I7-T14 CarbonylContact O-C 3.47Å; I7-R15 HydrophobicContact CB-CB 4.29Å; I7-R15 HydrophobicContact CG2-CB 4.13Å; I7-R15 PolarHBondContact O-N 3.14Å; I7-L16 HydrophobicContact CB-CB 4.02Å; I7-L16 HydrophobicContact CD1-CB 3.67Å; I7-L16 HydrophobicContact CD1-CD1 4.24Å; I7-L16 HydrophobicContact CD1-CD2 4.36Å; I7-L16 HydrophobicContact CD1-CG 4.3Å; I7-L16 HydrophobicContact CG1-CB 3.9Å; I7-L16 HydrophobicContact CG1-CD2 4.42Å; I7-L16 PolarHBondContact N-O 3.29Å; I7-L16 PolarHBondContact O-N 2.76Å; I7-L65 HydrophobicContact CG2-CB 4.45Å; I7-L65 HydrophobicContact CG2-CD1 4.47Å; I7-Y66 VanDerWaalsContact CA-O 3.32Å; I7-Y66 WeakPolarHBondContact CA-O 3.3Å; I7-F67 HydrophobicContact CD1-CD1 3.68Å; I7-F67 HydrophobicContact CD1-CE1 3.54Å; I7-F67 HydrophobicContact CD1-CZ 4.44Å; I7-F67 HydrophobicContact CG1-CD1 3.72Å; I7-F67 HydrophobicContact CG1-CE1 4.03Å; I7-F67 HydrophobicContact CG1-CG 4.31Å; I7-F67 HydrophobicContact CG2-CD1 4.23Å; I7-F67 HydrophobicContact CG2-CD2 4.39Å; I7-F67 HydrophobicContact CG2-CE1 4.11Å; I7-F67 HydrophobicContact CG2-CE2 4.26Å; I7-F67 HydrophobicContact CG2-CG 4.37Å; I7-F67 HydrophobicContact CG2-CZ 4.12Å; I7-F87 HydrophobicContact CD1-CE1 3.89Å; I7-F87 HydrophobicContact CD1-CZ 4.47Å; I7-L103 HydrophobicContact CD1-CD2 4.27Å; I7-L103 HydrophobicContact CG2-CD2 4.03Å
8Q98.7Very high97.9Very high1 Ų139.4 Ų39.41%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-132.9147-178.3-64.8173.5-69.700110.6K13 I32 L65 Y66Q8-K13 WeakPolarHBondContact CA-O 3.31Å; Q8-I32 PolarHBondContact NE2-O 3.4Å; Q8-L65 CarbonylContact O-C 3.59Å; Q8-L65 WeakPolarHBondContact O-CA 3.39Å; Q8-Y66 PolarHBondContact N-O 3.09Å; Q8-Y66 PolarHBondContact O-N 3.37Å
9N98Very high98Very high18 Ų1840.2 Ų40.210%0.09620%0.201CC..EExtended strand (participates in β ladder)trans-85.9175.917277.45.3000112.4A11 G12 K13 R15 H36 G64 L65 E100N9-A11 PolarHBondContact O-N 3.22Å; N9-A11 VanDerWaalsContact O-N 3.15Å; N9-A11 WeakPolarHBondContact OD1-CA 3.47Å; N9-A11 PolarHBondContact OD1-N 3.06Å; N9-G12 PolarHBondContact O-N 3.49Å; N9-G12 PolarHBondContact OD1-N 2.93Å; N9-K13 PolarHBondContact N-O 3.41Å; N9-K13 WeakPolarHBondContact OD1-CB 3.32Å; N9-K13 PolarHBondContact OD1-N 3.14Å; N9-R15 PolarHBondContact ND2-NH2 3.13Å; N9-H36 PolarHBondContact O-NE2 2.93Å; N9-H36 VanDerWaalsContact O-NE2 3.11Å; N9-G64 CarbonylContact C-O 3.59Å; N9-G64 WeakPolarHBondContact CA-O 3.28Å; N9-L65 HydrophobicContact CB-CD2 3.69Å; N9-E100 WeakPolarHBondContact CB-OE1 3.07Å; N9-E100 PolarHBondContact ND2-OE1 2.94Å
10R96.1Very high98Very high147 Ų14740.4 Ų40.456%0.55520%0.2SC*.THydrogen-bonded Turntrans-55.7-31.8178.4-63.2-170.2-173.1167.912.4113.9G12 H36 A63 G64 Y66R10-G12 VanDerWaalsContact C-N 3.28Å; R10-G12 PolarHBondContact O-N 3.47Å; R10-H36 PolarHBondContact O-CE1 3.34Å; R10-H36 PolarHBondContact O-NE2 2.95Å; R10-A63 PolarHBondContact NH2-O 2.9Å; R10-G64 WeakPolarHBondContact CG-O 3.36Å; R10-G64 PolarHBondContact N-O 3.29Å; R10-Y66 HydrophobicContact CG-CE2 4.15Å
11A96.7Very high97.9Very high78 Ų7840.5 Ų40.565%0.64520%0.2SC*.THydrogen-bonded Turntrans-84.55.2-179.300000114N9 K13N9-A11 PolarHBondContact O-N 3.22Å; N9-A11 VanDerWaalsContact O-N 3.15Å; N9-A11 WeakPolarHBondContact OD1-CA 3.47Å; N9-A11 PolarHBondContact OD1-N 3.06Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.07Å
12G96.4Very high98Very high24 Ų2445.8 Ų45.825%0.24722%0.224CC..SBendtrans81.68.1-18000000114.2N9 R10 T14 H36N9-G12 PolarHBondContact O-N 3.49Å; N9-G12 PolarHBondContact OD1-N 2.93Å; R10-G12 VanDerWaalsContact C-N 3.28Å; R10-G12 PolarHBondContact O-N 3.47Å; G12-T14 PolarHBondContact O-N 3.21Å; G12-H36 VanDerWaalsContact CA-CD2 3.49Å; G12-H36 WeakPolarHBondContact CA-CD2 3.44Å; G12-H36 VanDerWaalsContact CA-CE1 3.5Å; G12-H36 WeakPolarHBondContact CA-CE1 3.47Å; G12-H36 VanDerWaalsContact CA-NE2 3.27Å; G12-H36 WeakPolarHBondContact CA-NE2 3.43Å; G12-H36 PolarHBondContact N-CE1 2.84Å; G12-H36 PolarHBondContact N-NE2 2.93Å; G12-H36 VanDerWaalsContact N-NE2 3.14Å
13K98.2Very high97.8Very high133 Ų13347.1 Ų47.158%0.57823%0.23SC*.  trans-77.4122.6175.7-57.5-59.7-176.1-176.30109.9Q8 N9 A11Q8-K13 WeakPolarHBondContact CA-O 3.31Å; N9-K13 PolarHBondContact N-O 3.41Å; N9-K13 WeakPolarHBondContact OD1-CB 3.32Å; N9-K13 PolarHBondContact OD1-N 3.14Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.07Å
14T98.4Very high97.8Very high53 Ų5350.8 Ų50.833%0.32525%0.25SC..EExtended strand (participates in β ladder)trans-72.5129.4175.8-550000110.7I7 G12 L16 A17 I32I7-T14 CarbonylContact O-C 3.47Å; G12-T14 PolarHBondContact O-N 3.21Å; T14-L16 WeakPolarHBondContact CG2-O 3.48Å; T14-A17 HydrophobicContact CG2-CB 3.94Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.38Å
15R98.2Very high97.8Very high65 Ų6556.5 Ų56.525%0.24528%0.28CS..EExtended strand (participates in β ladder)trans-102.9-28.6174.8-56-50.4-174.9-176.37.4112.1I7 N9 L65 E100 L103I7-R15 HydrophobicContact CB-CB 4.29Å; I7-R15 HydrophobicContact CG2-CB 4.13Å; I7-R15 PolarHBondContact O-N 3.14Å; N9-R15 PolarHBondContact ND2-NH2 3.13Å; R15-L65 HydrophobicContact CG-CD2 4.02Å; R15-E100 IonicContact CZ-OE1 3.11Å; R15-E100 IonicContact NE-OE1 2.78Å; R15-E100 PolarHBondContact NE-OE1 3.22Å; R15-E100 IonicContact NH2-OE1 2.65Å; R15-E100 PolarHBondContact NH2-OE1 3.22Å; R15-L103 HydrophobicContact CB-CB 4.21Å; R15-L103 HydrophobicContact CB-CD2 4.21Å
16L98.7Very high97.7Very high3 Ų359.4 Ų59.42%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-151.2139.2173.8-175.8141.8000109.5I5 L6 I7 T14 K18 V110 Y111 V114I5-L16 HydrophobicContact CB-CD2 4.34Å; I5-L16 HydrophobicContact CG2-CD2 4.07Å; L6-L16 WeakPolarHBondContact CA-O 3.48Å; I7-L16 HydrophobicContact CB-CB 4.02Å; I7-L16 HydrophobicContact CD1-CB 3.67Å; I7-L16 HydrophobicContact CD1-CD1 4.24Å; I7-L16 HydrophobicContact CD1-CD2 4.36Å; I7-L16 HydrophobicContact CD1-CG 4.3Å; I7-L16 HydrophobicContact CG1-CB 3.9Å; I7-L16 HydrophobicContact CG1-CD2 4.42Å; I7-L16 PolarHBondContact N-O 3.29Å; I7-L16 PolarHBondContact O-N 2.76Å; T14-L16 WeakPolarHBondContact CG2-O 3.48Å; L16-K18 HydrophobicContact CD2-CB 4.2Å; L16-V110 HydrophobicContact CD1-CG1 3.65Å; L16-Y111 HydrophobicContact CD1-CD2 4.14Å; L16-Y111 HydrophobicContact CD1-CE2 4.02Å; L16-Y111 HydrophobicContact CD1-CG 4.48Å; L16-Y111 HydrophobicContact CG-CE1 4.39Å; L16-Y111 HydrophobicContact CG-CE2 3.95Å; L16-V114 HydrophobicContact CD1-CG2 3.72Å
17A98.6Very high97.7Very high21 Ų2161.4 Ų61.417%0.17431%0.311CS..EExtended strand (participates in β ladder)trans-140.2110.116900000110.4I5 L6 T14 Y111I5-A17 WeakPolarHBondContact O-CA 3.37Å; L6-A17 HydrophobicContact CD2-CB 3.55Å; T14-A17 HydrophobicContact CG2-CB 3.94Å; A17-Y111 VanDerWaalsContact C-OH 3.32Å; A17-Y111 PolarHBondContact N-OH 3.35Å; A17-Y111 PolarHBondContact O-OH 3.02Å
18K98.6Very high97.6Very high48 Ų4863.6 Ų63.621%0.20932%0.32CS..EExtended strand (participates in β ladder)trans-115.1126176.9-175.372.9167.9-161.30109F4 I5 L16 Y20 Y111 V114 D115F4-K18 CarbonylContact C-O 3.6Å; F4-K18 WeakPolarHBondContact CA-O 3.27Å; F4-K18 VanDerWaalsContact CB-O 3.22Å; F4-K18 WeakPolarHBondContact CB-O 3.45Å; I5-K18 HydrophobicContact CB-CB 4.35Å; I5-K18 PolarHBondContact N-O 3.38Å; I5-K18 PolarHBondContact O-N 3.14Å; L16-K18 HydrophobicContact CD2-CB 4.2Å; K18-Y20 HydrophobicContact CG-CE1 4.36Å; K18-Y20 HydrophobicContact CG-CE2 3.85Å; K18-Y111 HydrophobicContact CB-CE1 4.42Å; K18-Y111 HydrophobicContact CD-CD1 4.32Å; K18-Y111 HydrophobicContact CD-CE1 4.11Å; K18-V114 HydrophobicContact CG-CG1 4.2Å; K18-D115 VanDerWaalsContact CE-OD1 3.26Å; K18-D115 WeakPolarHBondContact CE-OD1 3.33Å; K18-D115 IonicContact NZ-OD1 3.74Å; K18-D115 PolarHBondContact NZ-OD1 3.44Å; K18-D115 IonicContact NZ-OD2 2.81Å; K18-D115 PolarHBondContact NZ-OD2 2.8Å
19W98.4Very high97.6Very high55 Ų5568.2 Ų68.221%0.20834%0.342CS..EExtended strand (participates in β ladder)trans-113.3121.5-177.4-55.591.8000109.1F4 L6 F23 K28 L31 I32F4-W19 HydrophobicContact CB-CD2 4.03Å; F4-W19 HydrophobicContact CB-CE3 3.44Å; F4-W19 VanDerWaalsContact CB-CE3 3.44Å; F4-W19 HydrophobicContact CB-CZ3 3.81Å; F4-W19 AromaticContact CD1-CE3 3.76Å; F4-W19 HydrophobicContact CD1-CE3 3.76Å; F4-W19 HydrophobicContact CD1-CH2 4.37Å; F4-W19 AromaticContact CD1-CZ3 3.39Å; F4-W19 HydrophobicContact CD1-CZ3 3.39Å; F4-W19 HydrophobicContact CD2-CZ3 4.23Å; F4-W19 AromaticContact CE1-CZ3 3.9Å; F4-W19 HydrophobicContact CE1-CZ3 3.9Å; F4-W19 AromaticContact CG-CE3 3.75Å; F4-W19 HydrophobicContact CG-CE3 3.75Å; F4-W19 HydrophobicContact CG-CH2 4.32Å; F4-W19 AromaticContact CG-CZ3 3.56Å; F4-W19 HydrophobicContact CG-CZ3 3.56Å; F4-W19 HydrophobicContact CZ-CZ3 4.49Å; L6-W19 HydrophobicContact CD2-CZ2 4.3Å; W19-F23 HydrophobicContact CD2-CD2 4.37Å; W19-F23 AromaticContact CE3-CD2 3.35Å; W19-F23 HydrophobicContact CE3-CD2 3.35Å; W19-F23 AromaticContact CE3-CE2 3.66Å; W19-F23 HydrophobicContact CE3-CE2 3.66Å; W19-F23 HydrophobicContact CE3-CG 4.35Å; W19-F23 AromaticContact CZ3-CD2 3.65Å; W19-F23 HydrophobicContact CZ3-CD2 3.65Å; W19-F23 AromaticContact CZ3-CE2 3.8Å; W19-F23 HydrophobicContact CZ3-CE2 3.8Å; W19-F23 HydrophobicContact CZ3-CG 4.39Å; W19-K28 HydrophobicContact CD2-CD 4.1Å; W19-K28 HydrophobicContact CD2-CG 3.97Å; W19-K28 HydrophobicContact CE3-CG 4.23Å; W19-K28 HydrophobicContact CG-CD 4.31Å; W19-K28 HydrophobicContact CH2-CB 3.9Å; W19-K28 HydrophobicContact CH2-CG 3.93Å; W19-K28 HydrophobicContact CZ2-CB 3.57Å; W19-K28 HydrophobicContact CZ2-CD 4.15Å; W19-K28 HydrophobicContact CZ2-CG 3.64Å; W19-K28 HydrophobicContact CZ3-CG 4.2Å; W19-L31 HydrophobicContact CH2-CB 3.97Å; W19-L31 HydrophobicContact CH2-CD1 4.06Å; W19-L31 HydrophobicContact CZ3-CB 4.4Å; W19-L31 HydrophobicContact CZ3-CD1 3.73Å; W19-I32 HydrophobicContact CH2-CG1 4.44Å; W19-I32 HydrophobicContact CZ2-CD1 4.11Å; W19-I32 HydrophobicContact CZ2-CG1 4.09Å
20Y98.2Very high97.6Very high44 Ų4472.5 Ų72.517%0.17336%0.36CS..SBendtrans-98.7-15.8177.3-68.2-75000112.7I2 R3 I5 K18 F118I2-Y20 HydrophobicContact CB-CD2 4.29Å; I2-Y20 HydrophobicContact CG2-CD2 3.77Å; I2-Y20 HydrophobicContact CG2-CE2 4.05Å; R3-Y20 PolarHBondContact O-N 3.47Å; I5-Y20 HydrophobicContact CD1-CE2 3.95Å; I5-Y20 HydrophobicContact CG1-CE2 4.08Å; K18-Y20 HydrophobicContact CG-CE1 4.36Å; K18-Y20 HydrophobicContact CG-CE2 3.85Å; Y20-F118 WeakPolarHBondContact OH-CB 3.45Å; Y20-F118 PolarHBondContact OH-O 3.11Å
21I96.3Very high97.8Very high42 Ų4265.6 Ų65.622%0.21533%0.334CS..SBendtrans-116.3153.4166.959.7161.6000110.4M1 R3 F23M1-I21 HydrophobicContact CE-CG2 3.69Å; R3-I21 HydrophobicContact CB-CD1 4.01Å; R3-I21 HydrophobicContact CB-CG1 4.07Å; R3-I21 HydrophobicContact CG-CD1 4.18Å; R3-I21 PolarHBondContact O-N 2.87Å; I21-F23 HydrophobicContact CD1-CD2 4.33Å; I21-F23 HydrophobicContact CD1-CE1 4.03Å; I21-F23 HydrophobicContact CD1-CE2 3.41Å; I21-F23 VanDerWaalsContact CD1-CE2 3.41Å; I21-F23 HydrophobicContact CD1-CZ 3.23Å; I21-F23 HydrophobicContact CG1-CD2 3.97Å; I21-F23 HydrophobicContact CG1-CE2 3.28Å; I21-F23 HydrophobicContact CG1-CZ 3.73Å; I21-F23 PolarHBondContact O-N 3.28Å
22H96.1Very high97.9Very high166 Ų16662.8 Ų62.877%0.76931%0.308SS*.  trans-70.3131.2177.6-176.473.9000110.6
23F95.8Very high98Very high28 Ų2867 Ų6712%0.12332%0.321CS..  trans-133.4146.3166-67.7-80.8000107.8F4 W19 I21 E27 K28 L31F4-F23 AromaticContact CD1-CE2 3.87Å; F4-F23 HydrophobicContact CD1-CE2 3.87Å; F4-F23 HydrophobicContact CD1-CZ 4.28Å; F4-F23 HydrophobicContact CE1-CE2 4.4Å; F4-F23 HydrophobicContact CE1-CZ 4.41Å; W19-F23 HydrophobicContact CD2-CD2 4.37Å; W19-F23 AromaticContact CE3-CD2 3.35Å; W19-F23 HydrophobicContact CE3-CD2 3.35Å; W19-F23 AromaticContact CE3-CE2 3.66Å; W19-F23 HydrophobicContact CE3-CE2 3.66Å; W19-F23 HydrophobicContact CE3-CG 4.35Å; W19-F23 AromaticContact CZ3-CD2 3.65Å; W19-F23 HydrophobicContact CZ3-CD2 3.65Å; W19-F23 AromaticContact CZ3-CE2 3.8Å; W19-F23 HydrophobicContact CZ3-CE2 3.8Å; W19-F23 HydrophobicContact CZ3-CG 4.39Å; I21-F23 HydrophobicContact CD1-CD2 4.33Å; I21-F23 HydrophobicContact CD1-CE1 4.03Å; I21-F23 HydrophobicContact CD1-CE2 3.41Å; I21-F23 VanDerWaalsContact CD1-CE2 3.41Å; I21-F23 HydrophobicContact CD1-CZ 3.23Å; I21-F23 HydrophobicContact CG1-CD2 3.97Å; I21-F23 HydrophobicContact CG1-CE2 3.28Å; I21-F23 HydrophobicContact CG1-CZ 3.73Å; I21-F23 PolarHBondContact O-N 3.28Å; F23-E27 HydrophobicContact CD1-CG 3.93Å; F23-K28 HydrophobicContact CB-CG 3.7Å; F23-K28 WeakPolarHBondContact O-CE 3.42Å; F23-K28 PolarHBondContact O-NZ 3.13Å; F23-L31 HydrophobicContact CD1-CD1 3.74Å; F23-L31 HydrophobicContact CD2-CD1 4.27Å; F23-L31 HydrophobicContact CE1-CD1 3.66Å; F23-L31 HydrophobicContact CE2-CD1 4.15Å; F23-L31 HydrophobicContact CG-CD1 4.03Å; F23-L31 HydrophobicContact CZ-CD1 3.84Å
24E97.8Very high98Very high132 Ų13264 Ų6462%0.61731%0.309SS*.  trans-63.2151167.2-63.1-176.6-179.800110.1S26 E27 K28E24-S26 VanDerWaalsContact C-N 3.27Å; E24-S26 PolarHBondContact O-N 2.9Å; E24-E27 HydrophobicContact CB-CB 4.37Å; E24-E27 WeakPolarHBondContact O-CA 3.23Å; E24-E27 WeakPolarHBondContact O-CB 3.3Å; E24-E27 PolarHBondContact O-N 2.96Å; E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.26Å
25D97.2Very high98Very high120 Ų12061.5 Ų61.564%0.64229%0.293SS*.Hα-helixtrans-65.6-31.7-175.4-66.4-27.2000112.9E27 K28 Q29D25-E27 VanDerWaalsContact C-N 3.28Å; D25-E27 PolarHBondContact O-N 2.93Å; D25-K28 PolarHBondContact O-N 2.87Å; D25-K28 IonicContact OD1-NZ 2.74Å; D25-K28 PolarHBondContact OD1-NZ 3.03Å; D25-Q29 PolarHBondContact O-N 3.07Å; D25-Q29 VanDerWaalsContact O-N 3.09Å
26S97.9Very high98Very high69 Ų6959.9 Ų59.948%0.48329%0.289SS..Hα-helixtrans-61.9-38.517262.50000111.7E24 K30E24-S26 VanDerWaalsContact C-N 3.27Å; E24-S26 PolarHBondContact O-N 2.9Å; S26-K30 WeakPolarHBondContact O-CG 3.11Å; S26-K30 PolarHBondContact O-N 2.84Å
27E97.8Very high98Very high43 Ų4362.4 Ų62.420%0.20131%0.31CS..Hα-helixtrans-75.4-39.7179.2-174.858-161.700111.5F23 E24 D25 Q29 K30 L31 R53F23-E27 HydrophobicContact CD1-CG 3.93Å; E24-E27 HydrophobicContact CB-CB 4.37Å; E24-E27 WeakPolarHBondContact O-CA 3.23Å; E24-E27 WeakPolarHBondContact O-CB 3.3Å; E24-E27 PolarHBondContact O-N 2.96Å; D25-E27 VanDerWaalsContact C-N 3.28Å; D25-E27 PolarHBondContact O-N 2.93Å; E27-Q29 VanDerWaalsContact C-N 3.29Å; E27-Q29 PolarHBondContact O-N 2.67Å; E27-K30 PolarHBondContact O-N 3.39Å; E27-L31 HydrophobicContact CG-CD1 4.14Å; E27-L31 HydrophobicContact CG-CG 4.47Å; E27-L31 WeakPolarHBondContact O-CB 3.36Å; E27-L31 VanDerWaalsContact O-CG 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.46Å; E27-L31 PolarHBondContact O-N 2.65Å; E27-R53 IonicContact OE1-CZ 3.47Å; E27-R53 IonicContact OE1-NH1 3.39Å; E27-R53 PolarHBondContact OE1-NH1 3.39Å; E27-R53 IonicContact OE1-NH2 3.81Å; E27-R53 PolarHBondContact OE1-NH2 2.97Å
28K98.5Very high98Very high46 Ų4663.6 Ų63.620%0.232%0.315CS..Hα-helixtrans-55.8-44.8172.1-69.6178.2-171.3146.70111.6W19 F23 E24 D25 L31 I32W19-K28 HydrophobicContact CD2-CD 4.1Å; W19-K28 HydrophobicContact CD2-CG 3.97Å; W19-K28 HydrophobicContact CE3-CG 4.23Å; W19-K28 HydrophobicContact CG-CD 4.31Å; W19-K28 HydrophobicContact CH2-CB 3.9Å; W19-K28 HydrophobicContact CH2-CG 3.93Å; W19-K28 HydrophobicContact CZ2-CB 3.57Å; W19-K28 HydrophobicContact CZ2-CD 4.15Å; W19-K28 HydrophobicContact CZ2-CG 3.64Å; W19-K28 HydrophobicContact CZ3-CG 4.2Å; F23-K28 HydrophobicContact CB-CG 3.7Å; F23-K28 WeakPolarHBondContact O-CE 3.42Å; F23-K28 PolarHBondContact O-NZ 3.13Å; E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.26Å; D25-K28 PolarHBondContact O-N 2.87Å; D25-K28 IonicContact OD1-NZ 2.74Å; D25-K28 PolarHBondContact OD1-NZ 3.03Å; K28-L31 PolarHBondContact O-N 2.85Å; K28-I32 VanDerWaalsContact O-CG1 3.26Å; K28-I32 WeakPolarHBondContact O-CG1 3.47Å; K28-I32 PolarHBondContact O-N 3.47Å
29Q98.3Very high97.9Very high97 Ų9761.3 Ų61.345%0.45331%0.305SS..Hα-helixtrans-62.9-43.8179.5-174.857.733.900111.7D25 E27 I32 E33D25-Q29 PolarHBondContact O-N 3.07Å; D25-Q29 VanDerWaalsContact O-N 3.09Å; E27-Q29 VanDerWaalsContact C-N 3.29Å; E27-Q29 PolarHBondContact O-N 2.67Å; Q29-I32 PolarHBondContact O-N 2.84Å; Q29-E33 PolarHBondContact NE2-OE1 3.37Å; Q29-E33 WeakPolarHBondContact O-CG 3.36Å; Q29-E33 PolarHBondContact O-N 3.21Å; Q29-E33 VanDerWaalsContact O-N 3.11Å
30K98.4Very high97.8Very high109 Ų10960.7 Ų60.747%0.47431%0.307SS..Hα-helixtrans-60.6-45.9174.4-70174.6-175.2172.50112.1S26 E27 I32 E33 E34S26-K30 WeakPolarHBondContact O-CG 3.11Å; S26-K30 PolarHBondContact O-N 2.84Å; E27-K30 PolarHBondContact O-N 3.39Å; K30-I32 VanDerWaalsContact C-N 3.32Å; K30-I32 PolarHBondContact O-N 2.94Å; K30-E33 PolarHBondContact O-N 2.94Å; K30-E34 WeakPolarHBondContact O-CB 3.35Å; K30-E34 WeakPolarHBondContact O-CG 3.23Å; K30-E34 PolarHBondContact O-N 2.82Å
31L98.6Very high97.7Very high2 Ų264.3 Ų64.31%0.0133%0.334CS..Hα-helixtrans-60.6-41.1178.3-71.1168.8000111.7F4 W19 F23 E27 K28 V35 F52F4-L31 HydrophobicContact CE1-CD1 4.16Å; F4-L31 HydrophobicContact CE1-CD2 4.45Å; W19-L31 HydrophobicContact CH2-CB 3.97Å; W19-L31 HydrophobicContact CH2-CD1 4.06Å; W19-L31 HydrophobicContact CZ3-CB 4.4Å; W19-L31 HydrophobicContact CZ3-CD1 3.73Å; F23-L31 HydrophobicContact CD1-CD1 3.74Å; F23-L31 HydrophobicContact CD2-CD1 4.27Å; F23-L31 HydrophobicContact CE1-CD1 3.66Å; F23-L31 HydrophobicContact CE2-CD1 4.15Å; F23-L31 HydrophobicContact CG-CD1 4.03Å; F23-L31 HydrophobicContact CZ-CD1 3.84Å; E27-L31 HydrophobicContact CG-CD1 4.14Å; E27-L31 HydrophobicContact CG-CG 4.47Å; E27-L31 WeakPolarHBondContact O-CB 3.36Å; E27-L31 VanDerWaalsContact O-CG 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.46Å; E27-L31 PolarHBondContact O-N 2.65Å; K28-L31 PolarHBondContact O-N 2.85Å; L31-V35 VanDerWaalsContact O-CB 3.3Å; L31-V35 WeakPolarHBondContact O-CB 3.37Å; L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 3.36Å; L31-F52 HydrophobicContact CD2-CE1 3.68Å; L31-F52 HydrophobicContact CD2-CZ 3.96Å
32I98.8Very high97.6Very high19 Ų1965 Ų6510%0.09733%0.333CS..Hα-helixtrans-61-44.5176.3-74.3170.2000111.4L6 Q8 T14 W19 K28 Q29 K30 H36L6-I32 HydrophobicContact CD1-CG1 4.05Å; L6-I32 HydrophobicContact CD2-CD1 4.46Å; L6-I32 HydrophobicContact CD2-CG1 3.86Å; Q8-I32 PolarHBondContact NE2-O 3.4Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.38Å; W19-I32 HydrophobicContact CH2-CG1 4.44Å; W19-I32 HydrophobicContact CZ2-CD1 4.11Å; W19-I32 HydrophobicContact CZ2-CG1 4.09Å; K28-I32 VanDerWaalsContact O-CG1 3.26Å; K28-I32 WeakPolarHBondContact O-CG1 3.47Å; K28-I32 PolarHBondContact O-N 3.47Å; Q29-I32 PolarHBondContact O-N 2.84Å; K30-I32 VanDerWaalsContact C-N 3.32Å; K30-I32 PolarHBondContact O-N 2.94Å; I32-H36 WeakPolarHBondContact O-CB 3.42Å; I32-H36 PolarHBondContact O-N 3.44Å
33E98.6Very high97.4Very high113 Ų11361 Ų6153%0.52832%0.318SS..Hα-helixtrans-70-45.6179.8-71.2171.3-16800112Q29 K30 H36 A37Q29-E33 PolarHBondContact NE2-OE1 3.37Å; Q29-E33 WeakPolarHBondContact O-CG 3.36Å; Q29-E33 PolarHBondContact O-N 3.21Å; Q29-E33 VanDerWaalsContact O-N 3.11Å; K30-E33 PolarHBondContact O-N 2.94Å; E33-H36 PolarHBondContact O-N 3.05Å; E33-A37 WeakPolarHBondContact O-CB 3.19Å; E33-A37 PolarHBondContact O-N 2.81Å
34E98.5Very high97.1Very high69 Ų6964.9 Ų64.932%0.32236%0.355SS..Hα-helixtrans-65.3-44.6-179.8-73.2176.7-154.800112.1K30 H36 A37 V38 F52 R53K30-E34 WeakPolarHBondContact O-CB 3.35Å; K30-E34 WeakPolarHBondContact O-CG 3.23Å; K30-E34 PolarHBondContact O-N 2.82Å; E34-H36 VanDerWaalsContact C-N 3.32Å; E34-H36 PolarHBondContact O-N 2.98Å; E34-A37 PolarHBondContact O-N 3.37Å; E34-V38 WeakPolarHBondContact O-CB 3.32Å; E34-V38 VanDerWaalsContact O-CG2 3.23Å; E34-V38 WeakPolarHBondContact O-CG2 3.39Å; E34-V38 PolarHBondContact O-N 2.74Å; E34-F52 HydrophobicContact CB-CE2 3.78Å; E34-F52 HydrophobicContact CB-CZ 3.87Å; E34-F52 WeakPolarHBondContact OE2-CZ 3.3Å; E34-R53 IonicContact OE1-CZ 3.43Å; E34-R53 IonicContact OE1-NE 2.8Å; E34-R53 IonicContact OE1-NH2 2.62Å; E34-R53 PolarHBondContact OE1-NH2 3.33Å; E34-R53 IonicContact OE2-CZ 3.45Å; E34-R53 VanDerWaalsContact OE2-CZ 3.23Å; E34-R53 IonicContact OE2-NE 2.92Å; E34-R53 PolarHBondContact OE2-NE 3.35Å; E34-R53 IonicContact OE2-NH2 3.5Å; E34-R53 PolarHBondContact OE2-NH2 2.95Å
35V98.7Very high96.9Very high0 Ų067.7 Ų67.70%037%0.365CS..Hα-helixtrans-60.3-45.6177.2168.90000110.2F4 L6 L31 V38 V39 F52 I57 C68F4-V35 HydrophobicContact CE2-CG2 4.16Å; F4-V35 HydrophobicContact CZ-CG2 4.1Å; L6-V35 HydrophobicContact CD1-CB 4.17Å; L6-V35 HydrophobicContact CD1-CG1 4.21Å; L6-V35 HydrophobicContact CD1-CG2 4.32Å; L31-V35 VanDerWaalsContact O-CB 3.3Å; L31-V35 WeakPolarHBondContact O-CB 3.37Å; L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 3.36Å; V35-V38 PolarHBondContact O-N 2.75Å; V35-V39 VanDerWaalsContact O-CG2 3.25Å; V35-V39 WeakPolarHBondContact O-CG2 3.25Å; V35-V39 PolarHBondContact O-N 2.8Å; V35-F52 HydrophobicContact CG2-CE1 4.11Å; V35-F52 HydrophobicContact CG2-CE2 4.34Å; V35-F52 HydrophobicContact CG2-CZ 3.98Å; V35-I57 HydrophobicContact CG1-CG2 4.44Å; V35-I57 HydrophobicContact CG2-CD1 3.78Å; V35-I57 HydrophobicContact CG2-CG1 4.19Å; V35-C68 HydrophobicContact CG1-CB 4.16Å
36H98.7Very high96.8Very high32 Ų3266.3 Ų66.315%0.14836%0.355CS..Hα-helixtrans-59.8-49.7177.7-177.1-101000112.2N9 R10 G12 I32 E33 E34 V38 V39 T40N9-H36 PolarHBondContact O-NE2 2.93Å; N9-H36 VanDerWaalsContact O-NE2 3.11Å; R10-H36 PolarHBondContact O-CE1 3.34Å; R10-H36 PolarHBondContact O-NE2 2.95Å; G12-H36 VanDerWaalsContact CA-CD2 3.49Å; G12-H36 WeakPolarHBondContact CA-CD2 3.44Å; G12-H36 VanDerWaalsContact CA-CE1 3.5Å; G12-H36 WeakPolarHBondContact CA-CE1 3.47Å; G12-H36 VanDerWaalsContact CA-NE2 3.27Å; G12-H36 WeakPolarHBondContact CA-NE2 3.43Å; G12-H36 PolarHBondContact N-CE1 2.84Å; G12-H36 PolarHBondContact N-NE2 2.93Å; G12-H36 VanDerWaalsContact N-NE2 3.14Å; I32-H36 WeakPolarHBondContact O-CB 3.42Å; I32-H36 PolarHBondContact O-N 3.44Å; E33-H36 PolarHBondContact O-N 3.05Å; E34-H36 VanDerWaalsContact C-N 3.32Å; E34-H36 PolarHBondContact O-N 2.98Å; H36-V38 VanDerWaalsContact C-N 3.28Å; H36-V38 PolarHBondContact O-N 3.48Å; H36-V39 PolarHBondContact O-N 3.36Å; H36-T40 VanDerWaalsContact NE2-CG2 3.29Å; H36-T40 WeakPolarHBondContact NE2-CG2 3.23Å; H36-T40 WeakPolarHBondContact O-CB 3.48Å; H36-T40 VanDerWaalsContact O-CG2 3.29Å; H36-T40 WeakPolarHBondContact O-CG2 3.28Å; H36-T40 PolarHBondContact O-N 2.63Å; H36-T40 PolarHBondContact O-OG1 3.09Å
37A98.3Very high96.8Very high55 Ų5567.1 Ų67.146%0.45536%0.357SS..Hα-helixtrans-58.2-43179.100000111.3E33 E34 V41E33-A37 WeakPolarHBondContact O-CB 3.19Å; E33-A37 PolarHBondContact O-N 2.81Å; E34-A37 PolarHBondContact O-N 3.37Å; A37-V41 WeakPolarHBondContact O-CG2 3.34Å
38V97.7Very high96.8Very high47 Ų4767.6 Ų67.629%0.28536%0.361SS..Hα-helixtrans-68.3-42.9-178.9168.10000112.5E34 V35 H36 R42 V50 F52E34-V38 WeakPolarHBondContact O-CB 3.32Å; E34-V38 VanDerWaalsContact O-CG2 3.23Å; E34-V38 WeakPolarHBondContact O-CG2 3.39Å; E34-V38 PolarHBondContact O-N 2.74Å; V35-V38 PolarHBondContact O-N 2.75Å; H36-V38 VanDerWaalsContact C-N 3.28Å; H36-V38 PolarHBondContact O-N 3.48Å; V38-R42 VanDerWaalsContact O-CD 3.23Å; V38-R42 WeakPolarHBondContact O-CD 3.22Å; V38-R42 VanDerWaalsContact O-CG 3.3Å; V38-R42 WeakPolarHBondContact O-CG 3.38Å; V38-V50 HydrophobicContact CG1-CB 4.27Å; V38-V50 HydrophobicContact CG1-CG1 3.49Å; V38-V50 VanDerWaalsContact CG1-CG1 3.49Å; V38-V50 HydrophobicContact CG1-CG2 4.48Å; V38-F52 HydrophobicContact CG2-CD2 4.48Å
39V97.8Very high96.8Very high0 Ų067.9 Ų67.90%036%0.362CS..Hα-helixtrans-81.6-27.6-175.2-62.90000113.8V35 H36 I57 Y59 Y66V35-V39 VanDerWaalsContact O-CG2 3.25Å; V35-V39 WeakPolarHBondContact O-CG2 3.25Å; V35-V39 PolarHBondContact O-N 2.8Å; H36-V39 PolarHBondContact O-N 3.36Å; V39-I57 HydrophobicContact CG1-CG2 4.09Å; V39-Y59 HydrophobicContact CB-CD2 3.98Å; V39-Y59 HydrophobicContact CB-CE2 4.01Å; V39-Y59 HydrophobicContact CB-CG 4.23Å; V39-Y59 HydrophobicContact CG1-CD1 3.82Å; V39-Y59 HydrophobicContact CG1-CD2 4.04Å; V39-Y59 HydrophobicContact CG1-CE1 4.16Å; V39-Y59 HydrophobicContact CG1-CE2 4.35Å; V39-Y59 HydrophobicContact CG1-CG 3.76Å; V39-Y66 HydrophobicContact CB-CD1 4.38Å; V39-Y66 HydrophobicContact CG2-CD1 3.99Å; V39-Y66 HydrophobicContact CG2-CG 4.14Å
40T95.7Very high96.7Very high42 Ų4263.9 Ų63.926%0.25834%0.344SS..Hα-helixtrans-80.6-25.3-173.252.80000114.5H36 R42 Y66H36-T40 VanDerWaalsContact NE2-CG2 3.29Å; H36-T40 WeakPolarHBondContact NE2-CG2 3.23Å; H36-T40 WeakPolarHBondContact O-CB 3.48Å; H36-T40 VanDerWaalsContact O-CG2 3.29Å; H36-T40 WeakPolarHBondContact O-CG2 3.28Å; H36-T40 PolarHBondContact O-N 2.63Å; H36-T40 PolarHBondContact O-OG1 3.09Å; T40-R42 VanDerWaalsContact C-N 3.25Å; T40-R42 PolarHBondContact O-N 2.95Å; T40-Y66 HydrophobicContact CG2-CD2 4.13Å; T40-Y66 HydrophobicContact CG2-CE1 4.38Å; T40-Y66 HydrophobicContact CG2-CE2 3.64Å
41V95.3Very high96.7Very high120 Ų12066.8 Ų66.873%0.72736%0.359SS*.THydrogen-bonded Turntrans-80.3-6.4176.9-60.50000113.3A37A37-V41 WeakPolarHBondContact O-CG2 3.34Å
42R95.8Very high96.6Very high55 Ų5567.1 Ų67.121%0.20836%0.361CS..  trans-88.8136.4-176.1-63.717370.189.6-9.3111.2V38 T40 H46 T47 F49 Y59V38-R42 VanDerWaalsContact O-CD 3.23Å; V38-R42 WeakPolarHBondContact O-CD 3.22Å; V38-R42 VanDerWaalsContact O-CG 3.3Å; V38-R42 WeakPolarHBondContact O-CG 3.38Å; T40-R42 VanDerWaalsContact C-N 3.25Å; T40-R42 PolarHBondContact O-N 2.95Å; R42-H46 HydrophobicContact CB-CB 4.18Å; R42-T47 PolarHBondContact NH2-O 3.46Å; R42-T47 VanDerWaalsContact NH2-O 3.07Å; R42-F49 PolarHBondContact NH2-O 3.31Å; R42-Y59 WeakPolarHBondContact CB-OH 3.5Å; R42-Y59 WeakPolarHBondContact CD-OH 3.41Å; R42-Y59 PolarHBondContact NE-OH 3.39Å
43D90.5Very high96.5Very high83 Ų8371.9 Ų71.944%0.44438%0.378SS..  trans-98.3-179178.571.114.9000112.8K45 H46D43-K45 PolarHBondContact O-N 2.73Å; D43-K45 VanDerWaalsContact O-N 3.14Å; D43-K45 WeakPolarHBondContact OD1-CB 3.49Å; D43-K45 PolarHBondContact OD1-N 3.06Å; D43-H46 PolarHBondContact N-ND1 2.86Å; D43-H46 WeakPolarHBondContact O-CB 3.48Å; D43-H46 PolarHBondContact O-N 3.43Å; D43-H46 VanDerWaalsContact O-N 3.13Å; D43-H46 IonicContact OD1-CE1 4Å; D43-H46 PolarHBondContact OD1-CE1 2.96Å; D43-H46 IonicContact OD1-CG 3.89Å; D43-H46 PolarHBondContact OD1-N 3.46Å; D43-H46 IonicContact OD1-ND1 2.76Å; D43-H46 PolarHBondContact OD1-ND1 3.17Å
44A89.4Confident96.3Very high109 Ų10973.1 Ų73.190%0.90139%0.388SS*.THydrogen-bonded Turntrans-66.7-10.2-178.500000114.8H46A44-H46 VanDerWaalsContact C-N 3.35Å
45K93.8Very high96.3Very high192 Ų19271.8 Ų71.884%0.83538%0.381SS*.THydrogen-bonded Turntrans-83.4-18.4175.7-59.8177.4179.9175.50111.8D43D43-K45 PolarHBondContact O-N 2.73Å; D43-K45 VanDerWaalsContact O-N 3.14Å; D43-K45 WeakPolarHBondContact OD1-CB 3.49Å; D43-K45 PolarHBondContact OD1-N 3.06Å
46H96Very high96.2Very high91 Ų9173.8 Ų73.842%0.42139%0.39SS..SBendtrans-79.7148.7176.6-67.581.3000110.8R42 D43 A44R42-H46 HydrophobicContact CB-CB 4.18Å; D43-H46 PolarHBondContact N-ND1 2.86Å; D43-H46 WeakPolarHBondContact O-CB 3.48Å; D43-H46 PolarHBondContact O-N 3.43Å; D43-H46 VanDerWaalsContact O-N 3.13Å; D43-H46 IonicContact OD1-CE1 4Å; D43-H46 PolarHBondContact OD1-CE1 2.96Å; D43-H46 IonicContact OD1-CG 3.89Å; D43-H46 PolarHBondContact OD1-N 3.46Å; D43-H46 IonicContact OD1-ND1 2.76Å; D43-H46 PolarHBondContact OD1-ND1 3.17Å; A44-H46 VanDerWaalsContact C-N 3.35Å
47T96.8Very high96.2Very high85 Ų8572.3 Ų72.352%0.52138%0.383SS..  trans-71.1159.8171.163.30000110.8R42 F49R42-T47 PolarHBondContact NH2-O 3.46Å; R42-T47 VanDerWaalsContact NH2-O 3.07Å; T47-F49 PolarHBondContact O-N 3.14Å; T47-F49 PolarHBondContact OG1-O 3.48Å
48N98Very high96.3Very high54 Ų5469.7 Ų69.729%0.28936%0.361SS..SBendtrans-67.95172-67.8102.7000114.3I58 Y59 L81N48-I58 WeakPolarHBondContact O-CA 3.12Å; N48-Y59 VanDerWaalsContact CB-O 3.27Å; N48-Y59 WeakPolarHBondContact CB-O 3.38Å; N48-Y59 PolarHBondContact ND2-O 3.41Å; N48-Y59 WeakPolarHBondContact O-CD1 3.28Å; N48-Y59 PolarHBondContact O-N 3.11Å; N48-L81 HydrophobicContact CB-CD1 3.89Å; N48-L81 HydrophobicContact CB-CD2 4.21Å
49F98.2Very high96.3Very high51 Ų5168 Ų6822%0.22435%0.35CS..EExtended strand (participates in β ladder)trans-119.5132-174-44.4-40000109.7R42 T47 I58 N77 L78 L81R42-F49 PolarHBondContact NH2-O 3.31Å; T47-F49 PolarHBondContact O-N 3.14Å; T47-F49 PolarHBondContact OG1-O 3.48Å; F49-I58 HydrophobicContact CB-CD1 4.16Å; F49-I58 HydrophobicContact CD1-CD1 3.46Å; F49-I58 VanDerWaalsContact CD1-CD1 3.46Å; F49-I58 HydrophobicContact CD1-CG1 4.49Å; F49-I58 HydrophobicContact CD1-CG2 3.92Å; F49-I58 HydrophobicContact CE1-CD1 4.2Å; F49-I58 HydrophobicContact CE1-CG2 3.91Å; F49-I58 HydrophobicContact CG-CD1 4.09Å; F49-N77 HydrophobicContact CD1-CB 3.8Å; F49-N77 HydrophobicContact CD2-CB 4.04Å; F49-N77 HydrophobicContact CE1-CB 3.63Å; F49-N77 HydrophobicContact CE2-CB 3.87Å; F49-N77 HydrophobicContact CG-CB 4.01Å; F49-N77 HydrophobicContact CZ-CB 3.66Å; F49-L78 HydrophobicContact CZ-CD2 3.96Å; F49-L81 HydrophobicContact CE1-CB 4.24Å; F49-L81 HydrophobicContact CE1-CD2 4.05Å; F49-L81 HydrophobicContact CZ-CD2 4.15Å
50V97.8Very high96.3Very high13 Ų1371.5 Ų71.58%0.07936%0.363CS..EExtended strand (participates in β ladder)trans-133.1127.1-179.8-159.70000109.6V38 F52 K56 I57 Y59V38-V50 HydrophobicContact CG1-CB 4.27Å; V38-V50 HydrophobicContact CG1-CG1 3.49Å; V38-V50 VanDerWaalsContact CG1-CG1 3.49Å; V38-V50 HydrophobicContact CG1-CG2 4.48Å; V50-F52 PolarHBondContact O-N 2.99Å; V50-K56 CarbonylContact O-C 3.53Å; V50-K56 VanDerWaalsContact O-CA 3.31Å; V50-K56 WeakPolarHBondContact O-CA 3.48Å; V50-I57 HydrophobicContact CB-CB 4.38Å; V50-I57 PolarHBondContact N-O 3.38Å; V50-I57 PolarHBondContact O-N 2.81Å; V50-Y59 HydrophobicContact CG2-CD1 3.97Å; V50-Y59 HydrophobicContact CG2-CE1 3.63Å
51E96.7Very high96.4Very high170 Ų17075.1 Ų75.179%0.79437%0.372SS*.EExtended strand (participates in β ladder)trans-67.3129.6166.7-66.2-175.717300108.8
52F97.8Very high96.5Very high10 Ų1072 Ų724%0.04435%0.348CS..EExtended strand (participates in β ladder)trans-143.5104.5-172.7179.4-102.8000109.7L31 E34 V35 V38 V50 N54 F55 I57L31-F52 HydrophobicContact CD2-CE1 3.68Å; L31-F52 HydrophobicContact CD2-CZ 3.96Å; E34-F52 HydrophobicContact CB-CE2 3.78Å; E34-F52 HydrophobicContact CB-CZ 3.87Å; E34-F52 WeakPolarHBondContact OE2-CZ 3.3Å; V35-F52 HydrophobicContact CG2-CE1 4.11Å; V35-F52 HydrophobicContact CG2-CE2 4.34Å; V35-F52 HydrophobicContact CG2-CZ 3.98Å; V38-F52 HydrophobicContact CG2-CD2 4.48Å; V50-F52 PolarHBondContact O-N 2.99Å; F52-N54 PolarHBondContact O-N 2.93Å; F52-F55 CarbonylContact C-O 3.55Å; F52-F55 PolarHBondContact N-O 2.87Å; F52-F55 CarbonylContact O-C 3.59Å; F52-F55 WeakPolarHBondContact O-CA 3.3Å; F52-F55 WeakPolarHBondContact O-CB 3.36Å; F52-F55 PolarHBondContact O-N 3.28Å; F52-F55 VanDerWaalsContact O-O 3.05Å; F52-I57 HydrophobicContact CB-CD1 4.4Å; F52-I57 HydrophobicContact CB-CG1 3.61Å; F52-I57 HydrophobicContact CD1-CD1 3.97Å; F52-I57 HydrophobicContact CD1-CG1 4.01Å; F52-I57 HydrophobicContact CD2-CG1 4.42Å; F52-I57 HydrophobicContact CG-CD1 4.24Å; F52-I57 HydrophobicContact CG-CG1 3.75Å
53R95.9Very high96.5Very high118 Ų11873.5 Ų73.545%0.44537%0.372SS..THydrogen-bonded Turntrans53.3-124.9-173-54.7173.9168.5-154.65.7109.7E27 E34 F55E27-R53 IonicContact OE1-CZ 3.47Å; E27-R53 IonicContact OE1-NH1 3.39Å; E27-R53 PolarHBondContact OE1-NH1 3.39Å; E27-R53 IonicContact OE1-NH2 3.81Å; E27-R53 PolarHBondContact OE1-NH2 2.97Å; E34-R53 IonicContact OE1-CZ 3.43Å; E34-R53 IonicContact OE1-NE 2.8Å; E34-R53 IonicContact OE1-NH2 2.62Å; E34-R53 PolarHBondContact OE1-NH2 3.33Å; E34-R53 IonicContact OE2-CZ 3.45Å; E34-R53 VanDerWaalsContact OE2-CZ 3.23Å; E34-R53 IonicContact OE2-NE 2.92Å; E34-R53 PolarHBondContact OE2-NE 3.35Å; E34-R53 IonicContact OE2-NH2 3.5Å; E34-R53 PolarHBondContact OE2-NH2 2.95Å; R53-F55 VanDerWaalsContact C-N 3.31Å
54N95.4Very high96.7Very high139 Ų13970.5 Ų70.574%0.74336%0.36SS*.THydrogen-bonded Turntrans-93.716.6176.4-61.1-31.9000113F52 V73F52-N54 PolarHBondContact O-N 2.93Å; N54-V73 WeakPolarHBondContact O-CG1 3.41Å
55F97.3Very high97.1Very high41 Ų4166 Ų6618%0.1832%0.321CS..EExtended strand (participates in β ladder)trans-130.8-177.9-174.7-57-60.1000110.6R3 F52 R53 C71R3-F55 HydrophobicContact CG-CD1 4Å; R3-F55 HydrophobicContact CG-CE1 3.95Å; R3-F55 HydrophobicContact CG-CZ 4.41Å; F52-F55 CarbonylContact C-O 3.55Å; F52-F55 PolarHBondContact N-O 2.87Å; F52-F55 CarbonylContact O-C 3.59Å; F52-F55 WeakPolarHBondContact O-CA 3.3Å; F52-F55 WeakPolarHBondContact O-CB 3.36Å; F52-F55 PolarHBondContact O-N 3.28Å; F52-F55 VanDerWaalsContact O-O 3.05Å; R53-F55 VanDerWaalsContact C-N 3.31Å; F55-C71 WeakPolarHBondContact CB-O 3.45Å
56K98.2Very high97.3Very high43 Ų4357.5 Ų57.519%0.18728%0.283CS..EExtended strand (participates in β ladder)trans-123.9141.2168.1-73.9176179.2168.70110.3V50 I58 C70 C71 V73V50-K56 CarbonylContact O-C 3.53Å; V50-K56 VanDerWaalsContact O-CA 3.31Å; V50-K56 WeakPolarHBondContact O-CA 3.48Å; K56-I58 HydrophobicContact CB-CD1 4.38Å; K56-C70 CarbonylContact O-C 3.59Å; K56-C70 WeakPolarHBondContact O-CA 3.49Å; K56-C71 PolarHBondContact N-O 2.92Å; K56-C71 PolarHBondContact O-N 2.86Å; K56-V73 VanDerWaalsContact CE-O 3.3Å; K56-V73 WeakPolarHBondContact CE-O 3.49Å; K56-V73 HydrophobicContact CG-CG1 4.28Å; K56-V73 PolarHBondContact NZ-O 3.3Å
57I98.8Very high97.5Very high0 Ų053.7 Ų53.70%027%0.266CS..EExtended strand (participates in β ladder)trans-98.2119.6166.1-58.4-58.9000108.4F4 V35 V39 V50 F52 C68 I69 C70F4-I57 HydrophobicContact CE2-CD1 4.31Å; F4-I57 HydrophobicContact CZ-CD1 4.22Å; V35-I57 HydrophobicContact CG1-CG2 4.44Å; V35-I57 HydrophobicContact CG2-CD1 3.78Å; V35-I57 HydrophobicContact CG2-CG1 4.19Å; V39-I57 HydrophobicContact CG1-CG2 4.09Å; V50-I57 HydrophobicContact CB-CB 4.38Å; V50-I57 PolarHBondContact N-O 3.38Å; V50-I57 PolarHBondContact O-N 2.81Å; F52-I57 HydrophobicContact CB-CD1 4.4Å; F52-I57 HydrophobicContact CB-CG1 3.61Å; F52-I57 HydrophobicContact CD1-CD1 3.97Å; F52-I57 HydrophobicContact CD1-CG1 4.01Å; F52-I57 HydrophobicContact CD2-CG1 4.42Å; F52-I57 HydrophobicContact CG-CD1 4.24Å; F52-I57 HydrophobicContact CG-CG1 3.75Å; I57-C68 HydrophobicContact CG2-CB 4.11Å; I57-I69 WeakPolarHBondContact CA-O 3.22Å; I57-C70 HydrophobicContact CD1-CB 3.53Å
58I98.8Very high97.6Very high0 Ų049.7 Ų49.70%024%0.241CC..EExtended strand (participates in β ladder)trans-101.9120.9169.2-47.3-56.1000106.7N48 F49 K56 C68 I69 N77 Y80 L81 I84N48-I58 WeakPolarHBondContact O-CA 3.12Å; F49-I58 HydrophobicContact CB-CD1 4.16Å; F49-I58 HydrophobicContact CD1-CD1 3.46Å; F49-I58 VanDerWaalsContact CD1-CD1 3.46Å; F49-I58 HydrophobicContact CD1-CG1 4.49Å; F49-I58 HydrophobicContact CD1-CG2 3.92Å; F49-I58 HydrophobicContact CE1-CD1 4.2Å; F49-I58 HydrophobicContact CE1-CG2 3.91Å; F49-I58 HydrophobicContact CG-CD1 4.09Å; K56-I58 HydrophobicContact CB-CD1 4.38Å; I58-C68 CarbonylContact O-C 3.38Å; I58-C68 WeakPolarHBondContact O-CA 3.33Å; I58-I69 PolarHBondContact N-O 3.48Å; I58-I69 PolarHBondContact O-N 3.24Å; I58-N77 HydrophobicContact CD1-CB 3.84Å; I58-Y80 HydrophobicContact CG1-CD2 4.29Å; I58-L81 HydrophobicContact CG2-CB 3.96Å; I58-L81 HydrophobicContact CG2-CD1 4.44Å; I58-I84 HydrophobicContact CG2-CD1 4.42Å; I58-I84 WeakPolarHBondContact O-CD1 3.31Å
59Y98.7Very high97.6Very high13 Ų1347.2 Ų47.25%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-139.2150.9-175.679.8-74.9000113.6V39 R42 N48 V50 Y66 F67 C68V39-Y59 HydrophobicContact CB-CD2 3.98Å; V39-Y59 HydrophobicContact CB-CE2 4.01Å; V39-Y59 HydrophobicContact CB-CG 4.23Å; V39-Y59 HydrophobicContact CG1-CD1 3.82Å; V39-Y59 HydrophobicContact CG1-CD2 4.04Å; V39-Y59 HydrophobicContact CG1-CE1 4.16Å; V39-Y59 HydrophobicContact CG1-CE2 4.35Å; V39-Y59 HydrophobicContact CG1-CG 3.76Å; R42-Y59 WeakPolarHBondContact CB-OH 3.5Å; R42-Y59 WeakPolarHBondContact CD-OH 3.41Å; R42-Y59 PolarHBondContact NE-OH 3.39Å; N48-Y59 VanDerWaalsContact CB-O 3.27Å; N48-Y59 WeakPolarHBondContact CB-O 3.38Å; N48-Y59 PolarHBondContact ND2-O 3.41Å; N48-Y59 WeakPolarHBondContact O-CD1 3.28Å; N48-Y59 PolarHBondContact O-N 3.11Å; V50-Y59 HydrophobicContact CG2-CD1 3.97Å; V50-Y59 HydrophobicContact CG2-CE1 3.63Å; Y59-Y66 HydrophobicContact CD2-CD1 4.19Å; Y59-Y66 HydrophobicContact CE2-CD1 4.3Å; Y59-F67 CarbonylContact C-O 3.56Å; Y59-F67 WeakPolarHBondContact CA-O 3.29Å; Y59-F67 WeakPolarHBondContact CB-O 3.29Å; Y59-C68 VanDerWaalsContact CB-SG 3.58Å
60R98.4Very high97.6Very high72 Ų7244.8 Ų44.827%0.27222%0.217SC..EExtended strand (participates in β ladder)trans-134139168.7-158.2179.9-132.9175.33.3110.5Y62 F67 L81 I84 H85R60-Y62 HydrophobicContact CB-CD2 4.47Å; R60-Y62 HydrophobicContact CB-CE2 3.88Å; R60-Y62 VanDerWaalsContact CD-CZ 3.43Å; R60-Y62 WeakPolarHBondContact CD-OH 3.49Å; R60-Y62 HydrophobicContact CG-CE2 3.9Å; R60-Y62 PolarHBondContact NH1-OH 3.33Å; R60-F67 PolarHBondContact N-O 2.88Å; R60-F67 PolarHBondContact O-N 3.33Å; R60-L81 HydrophobicContact CB-CD1 4.18Å; R60-I84 HydrophobicContact CB-CG2 3.91Å; R60-H85 VanDerWaalsContact NH1-CG 3.28Å; R60-H85 PolarHBondContact NH1-ND1 3.44Å
61R97.5Very high97.6Very high118 Ų11844.2 Ų44.245%0.44521%0.214SC..EExtended strand (participates in β ladder)trans-93.3126.6175.8-178.5179.4167.2-177.5-10110A63 L65 Y66R61-A63 PolarHBondContact NE-O 2.95Å; R61-A63 VanDerWaalsContact NE-O 3.09Å; R61-L65 CarbonylContact C-O 3.6Å; R61-L65 VanDerWaalsContact CA-O 3.31Å; R61-L65 WeakPolarHBondContact CA-O 3.35Å; R61-Y66 HydrophobicContact CB-CD1 4.19Å; R61-Y66 HydrophobicContact CB-CE1 4.19Å; R61-Y66 HydrophobicContact CG-CD1 4.34Å; R61-Y66 HydrophobicContact CG-CE1 4.08Å
62Y97.3Very high97.7Very high56 Ų5637.9 Ų37.922%0.2219%0.185CC..EExtended strand (participates in β ladder)trans-119.7111169.1-66.8-88.3000108.4R60 G64 L65 F67 I84 H85 V88R60-Y62 HydrophobicContact CB-CD2 4.47Å; R60-Y62 HydrophobicContact CB-CE2 3.88Å; R60-Y62 VanDerWaalsContact CD-CZ 3.43Å; R60-Y62 WeakPolarHBondContact CD-OH 3.49Å; R60-Y62 HydrophobicContact CG-CE2 3.9Å; R60-Y62 PolarHBondContact NH1-OH 3.33Å; Y62-G64 PolarHBondContact O-N 3.24Å; Y62-L65 PolarHBondContact N-O 2.8Å; Y62-L65 PolarHBondContact O-N 2.84Å; Y62-F67 AromaticContact CD2-CD2 3.71Å; Y62-F67 HydrophobicContact CD2-CD2 3.71Å; Y62-F67 AromaticContact CD2-CE2 3.97Å; Y62-F67 HydrophobicContact CD2-CE2 3.97Å; Y62-F67 HydrophobicContact CD2-CG 4.4Å; Y62-F67 HydrophobicContact CG-CE2 4.45Å; Y62-I84 HydrophobicContact CE2-CG2 4.09Å; Y62-H85 WeakPolarHBondContact OH-CA 3.45Å; Y62-H85 PolarHBondContact OH-ND1 3.02Å; Y62-V88 HydrophobicContact CD1-CG1 4.02Å; Y62-V88 HydrophobicContact CD2-CG1 4.33Å; Y62-V88 HydrophobicContact CD2-CG2 3.88Å; Y62-V88 HydrophobicContact CE1-CG1 3.97Å; Y62-V88 HydrophobicContact CE2-CB 4.14Å; Y62-V88 HydrophobicContact CE2-CG1 4.26Å; Y62-V88 HydrophobicContact CE2-CG2 3.67Å; Y62-V88 HydrophobicContact CG-CG1 4.19Å
63A94.4Very high97.6Very high86 Ų8640.1 Ų40.171%0.71120%0.2SC*.THydrogen-bonded Turntrans51.7-103.8-174.200000114.3R10 R61R10-A63 PolarHBondContact NH2-O 2.9Å; R61-A63 PolarHBondContact NE-O 2.95Å; R61-A63 VanDerWaalsContact NE-O 3.09Å
64G94.8Very high97.6Very high19 Ų1941.8 Ų41.820%0.19622%0.218CC..THydrogen-bonded Turntrans-96.7-4.9179.700000114.7N9 R10 Y62N9-G64 CarbonylContact C-O 3.59Å; N9-G64 WeakPolarHBondContact CA-O 3.28Å; R10-G64 WeakPolarHBondContact CG-O 3.36Å; R10-G64 PolarHBondContact N-O 3.29Å; Y62-G64 PolarHBondContact O-N 3.24Å
65L98.4Very high97.6Very high15 Ų1537.3 Ų37.38%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-110.3143.5-172.2-64.1178.1000111.7I7 Q8 N9 R15 R61 Y62 F67 E100 L103I7-L65 HydrophobicContact CG2-CB 4.45Å; I7-L65 HydrophobicContact CG2-CD1 4.47Å; Q8-L65 CarbonylContact O-C 3.59Å; Q8-L65 WeakPolarHBondContact O-CA 3.39Å; N9-L65 HydrophobicContact CB-CD2 3.69Å; R15-L65 HydrophobicContact CG-CD2 4.02Å; R61-L65 CarbonylContact C-O 3.6Å; R61-L65 VanDerWaalsContact CA-O 3.31Å; R61-L65 WeakPolarHBondContact CA-O 3.35Å; Y62-L65 PolarHBondContact N-O 2.8Å; Y62-L65 PolarHBondContact O-N 2.84Å; L65-F67 HydrophobicContact CB-CD2 4.2Å; L65-F67 HydrophobicContact CB-CE2 3.66Å; L65-F67 HydrophobicContact CD1-CE2 4.16Å; L65-F67 HydrophobicContact CD1-CZ 4.26Å; L65-E100 HydrophobicContact CD1-CB 4.16Å; L65-E100 HydrophobicContact CD1-CG 4.38Å; L65-E100 HydrophobicContact CD2-CG 3.97Å; L65-L103 HydrophobicContact CD1-CD2 3.83Å
66Y98.6Very high97.6Very high13 Ų1340.2 Ų40.25%0.05121%0.211CC..EExtended strand (participates in β ladder)trans-110.4116.8172.3-61.9-92.9000107.8I7 Q8 R10 V39 T40 Y59 R61I7-Y66 VanDerWaalsContact CA-O 3.32Å; I7-Y66 WeakPolarHBondContact CA-O 3.3Å; Q8-Y66 PolarHBondContact N-O 3.09Å; Q8-Y66 PolarHBondContact O-N 3.37Å; R10-Y66 HydrophobicContact CG-CE2 4.15Å; V39-Y66 HydrophobicContact CB-CD1 4.38Å; V39-Y66 HydrophobicContact CG2-CD1 3.99Å; V39-Y66 HydrophobicContact CG2-CG 4.14Å; T40-Y66 HydrophobicContact CG2-CD2 4.13Å; T40-Y66 HydrophobicContact CG2-CE1 4.38Å; T40-Y66 HydrophobicContact CG2-CE2 3.64Å; Y59-Y66 HydrophobicContact CD2-CD1 4.19Å; Y59-Y66 HydrophobicContact CE2-CD1 4.3Å; R61-Y66 HydrophobicContact CB-CD1 4.19Å; R61-Y66 HydrophobicContact CB-CE1 4.19Å; R61-Y66 HydrophobicContact CG-CD1 4.34Å; R61-Y66 HydrophobicContact CG-CE1 4.08Å
67F98.8Very high97.6Very high12 Ų1239.7 Ų39.75%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-98.9119.1174.6-68.7-109.7000107.3I7 Y59 R60 Y62 L65 I84 F87 V88 L91 L103I7-F67 HydrophobicContact CD1-CD1 3.68Å; I7-F67 HydrophobicContact CD1-CE1 3.54Å; I7-F67 HydrophobicContact CD1-CZ 4.44Å; I7-F67 HydrophobicContact CG1-CD1 3.72Å; I7-F67 HydrophobicContact CG1-CE1 4.03Å; I7-F67 HydrophobicContact CG1-CG 4.31Å; I7-F67 HydrophobicContact CG2-CD1 4.23Å; I7-F67 HydrophobicContact CG2-CD2 4.39Å; I7-F67 HydrophobicContact CG2-CE1 4.11Å; I7-F67 HydrophobicContact CG2-CE2 4.26Å; I7-F67 HydrophobicContact CG2-CG 4.37Å; I7-F67 HydrophobicContact CG2-CZ 4.12Å; Y59-F67 CarbonylContact C-O 3.56Å; Y59-F67 WeakPolarHBondContact CA-O 3.29Å; Y59-F67 WeakPolarHBondContact CB-O 3.29Å; R60-F67 PolarHBondContact N-O 2.88Å; R60-F67 PolarHBondContact O-N 3.33Å; Y62-F67 AromaticContact CD2-CD2 3.71Å; Y62-F67 HydrophobicContact CD2-CD2 3.71Å; Y62-F67 AromaticContact CD2-CE2 3.97Å; Y62-F67 HydrophobicContact CD2-CE2 3.97Å; Y62-F67 HydrophobicContact CD2-CG 4.4Å; Y62-F67 HydrophobicContact CG-CE2 4.45Å; L65-F67 HydrophobicContact CB-CD2 4.2Å; L65-F67 HydrophobicContact CB-CE2 3.66Å; L65-F67 HydrophobicContact CD1-CE2 4.16Å; L65-F67 HydrophobicContact CD1-CZ 4.26Å; F67-I84 HydrophobicContact CB-CG2 3.62Å; F67-I84 HydrophobicContact CG-CG2 4.4Å; F67-F87 HydrophobicContact CD1-CD1 4.16Å; F67-F87 HydrophobicContact CD1-CE1 4.12Å; F67-F87 HydrophobicContact CE1-CD1 4.25Å; F67-F87 AromaticContact CE1-CE1 3.98Å; F67-F87 HydrophobicContact CE1-CE1 3.98Å; F67-V88 HydrophobicContact CD1-CG2 3.81Å; F67-V88 HydrophobicContact CD2-CG2 4.38Å; F67-V88 HydrophobicContact CE1-CG2 3.56Å; F67-V88 HydrophobicContact CE2-CG2 4.18Å; F67-V88 HydrophobicContact CG-CG2 4.22Å; F67-V88 HydrophobicContact CZ-CG2 3.78Å; F67-L91 HydrophobicContact CE1-CD1 4.39Å; F67-L103 HydrophobicContact CZ-CD2 4.42Å
68C98.9Very high97.5Very high1 Ų144.5 Ų44.51%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-127.4132.3-170.9-59.60000110.1I5 L6 V35 I57 I58 Y59I5-C68 WeakPolarHBondContact CA-O 3.47Å; L6-C68 HydrophobicContact CB-CB 4.35Å; L6-C68 PolarHBondContact N-O 3.1Å; L6-C68 PolarHBondContact O-N 2.93Å; V35-C68 HydrophobicContact CG1-CB 4.16Å; I57-C68 HydrophobicContact CG2-CB 4.11Å; I58-C68 CarbonylContact O-C 3.38Å; I58-C68 WeakPolarHBondContact O-CA 3.33Å; Y59-C68 VanDerWaalsContact CB-SG 3.58Å
69I98.9Very high97.4Very high2 Ų249 Ų491%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-115126.6168.1-67.1-175000107.5I2 I5 I57 I58 C71 Y80 I84 F118I2-I69 HydrophobicContact CB-CG2 4.39Å; I2-I69 HydrophobicContact CD1-CG2 4.35Å; I2-I69 HydrophobicContact CG1-CG2 3.9Å; I2-I69 HydrophobicContact CG2-CG2 3.86Å; I5-I69 HydrophobicContact CG1-CG1 4.25Å; I5-I69 HydrophobicContact CG2-CG1 4.44Å; I57-I69 WeakPolarHBondContact CA-O 3.22Å; I58-I69 PolarHBondContact N-O 3.48Å; I58-I69 PolarHBondContact O-N 3.24Å; I69-C71 HydrophobicContact CG2-CB 4.5Å; I69-Y80 HydrophobicContact CD1-CD1 4.42Å; I69-Y80 HydrophobicContact CG2-CD1 4.03Å; I69-Y80 HydrophobicContact CG2-CG 4.09Å; I69-I84 HydrophobicContact CB-CD1 4.35Å; I69-I84 HydrophobicContact CD1-CD1 4.18Å; I69-I84 HydrophobicContact CD1-CG1 3.64Å; I69-I84 HydrophobicContact CG1-CD1 3.95Å; I69-I84 HydrophobicContact CG1-CG1 3.82Å; I69-F118 HydrophobicContact CD1-CE1 4.28Å; I69-F118 HydrophobicContact CD1-CZ 4.49Å
70C98.8Very high97.4Very high0 Ų048.6 Ų48.60%025%0.252CS..EExtended strand (participates in β ladder)trans-94.3125.8168.9-176.80000109.3I2 R3 F4 K56 I57I2-C70 CarbonylContact C-O 3.51Å; R3-C70 HydrophobicContact CB-CB 4.32Å; R3-C70 PolarHBondContact N-O 2.92Å; F4-C70 HydrophobicContact CD1-CB 3.71Å; F4-C70 HydrophobicContact CD2-CB 3.62Å; F4-C70 HydrophobicContact CE1-CB 3.45Å; F4-C70 VanDerWaalsContact CE1-CB 3.45Å; F4-C70 WeakPolarHBondContact CE1-SG 3.12Å; F4-C70 HydrophobicContact CE2-CB 3.35Å; F4-C70 HydrophobicContact CG-CB 3.82Å; F4-C70 HydrophobicContact CZ-CB 3.27Å; F4-C70 PolarHBondContact O-N 3.38Å; K56-C70 CarbonylContact O-C 3.59Å; K56-C70 WeakPolarHBondContact O-CA 3.49Å; I57-C70 HydrophobicContact CD1-CB 3.53Å
71C98.3Very high97.4Very high0 Ų045.8 Ų45.80%024%0.242CC..EExtended strand (participates in β ladder)trans-138.4175.8-175.368.60000112.4M1 F55 K56 I69 Y80M1-C71 WeakPolarHBondContact O-CA 3.49Å; F55-C71 WeakPolarHBondContact CB-O 3.45Å; K56-C71 PolarHBondContact N-O 2.92Å; K56-C71 PolarHBondContact O-N 2.86Å; I69-C71 HydrophobicContact CG2-CB 4.5Å; C71-Y80 HydrophobicContact CB-CD2 3.66Å; C71-Y80 HydrophobicContact CB-CE2 3.23Å; C71-Y80 VanDerWaalsContact SG-CD2 3.53Å; C71-Y80 VanDerWaalsContact SG-CE2 3.55Å
72D97.4Very high97.5Very high37 Ų3745 Ų4520%0.19824%0.243CC..EExtended strand (participates in β ladder)trans-72.7150.1178.7-65.4-45.3000111.4M1 R3 N74 D75M1-D72 PolarHBondContact N-OD2 3.22Å; M1-D72 PolarHBondContact O-N 2.89Å; R3-D72 IonicContact CZ-OD1 3.67Å; R3-D72 IonicContact CZ-OD2 3.43Å; R3-D72 IonicContact NE-OD1 3.39Å; R3-D72 PolarHBondContact NE-OD1 3.43Å; R3-D72 IonicContact NE-OD2 2.63Å; R3-D72 IonicContact NH2-OD1 3.75Å; R3-D72 PolarHBondContact NH2-OD1 3.01Å; R3-D72 IonicContact NH2-OD2 3.36Å; R3-D72 PolarHBondContact NH2-OD2 3.45Å; D72-N74 PolarHBondContact O-N 3Å; D72-N74 VanDerWaalsContact O-N 3.14Å; D72-D75 WeakPolarHBondContact CB-OD2 3.48Å; D72-D75 PolarHBondContact N-OD2 3.06Å; D72-D75 PolarHBondContact O-N 3.06Å; D72-D75 VanDerWaalsContact O-N 3.17Å
73V96.1Very high97.6Very high58 Ų5842.7 Ų42.735%0.35224%0.236SC..THydrogen-bonded Turntrans-62.1-24.5-175.9-67.60000113.7N54 K56N54-V73 WeakPolarHBondContact O-CG1 3.41Å; K56-V73 VanDerWaalsContact CE-O 3.3Å; K56-V73 WeakPolarHBondContact CE-O 3.49Å; K56-V73 HydrophobicContact CG-CG1 4.28Å; K56-V73 PolarHBondContact NZ-O 3.3Å
74N95.9Very high97.8Very high153 Ų15338.9 Ų38.982%0.81820%0.203SC*.THydrogen-bonded Turntrans-96.3-2.6-176.9-63-31.5000113.3D72D72-N74 PolarHBondContact O-N 3Å; D72-N74 VanDerWaalsContact O-N 3.14Å
75D96.4Very high98Very high45 Ų4540.5 Ų40.524%0.24121%0.206CC..SBendtrans-71.3161.1179.2-66.7-28.2000111.9M1 D72 N77 Y80M1-D75 VanDerWaalsContact N-CG 3.27Å; M1-D75 PolarHBondContact N-OD1 2.92Å; M1-D75 VanDerWaalsContact N-OD1 3.13Å; M1-D75 PolarHBondContact N-OD2 2.8Å; D72-D75 WeakPolarHBondContact CB-OD2 3.48Å; D72-D75 PolarHBondContact N-OD2 3.06Å; D72-D75 PolarHBondContact O-N 3.06Å; D72-D75 VanDerWaalsContact O-N 3.17Å; D75-N77 PolarHBondContact O-N 2.92Å; D75-Y80 HydrophobicContact CB-CD2 4.42Å; D75-Y80 HydrophobicContact CB-CE2 3.51Å; D75-Y80 WeakPolarHBondContact OD2-CE2 3.41Å; D75-Y80 PolarHBondContact OD2-OH 3.11Å; D75-Y80 VanDerWaalsContact OD2-OH 3.07Å
76N96.7Very high98Very high102 Ų10241 Ų4155%0.54521%0.209SC..  trans-72.6110.5172.1-175.8-16.8000110.5L78 Y79N76-L78 VanDerWaalsContact C-N 3.33Å; N76-L78 PolarHBondContact O-N 3Å; N76-L78 PolarHBondContact OD1-N 3.04Å; N76-Y79 WeakPolarHBondContact O-CB 3.43Å; N76-Y79 PolarHBondContact O-N 2.8Å
77N97Very high98Very high32 Ų3240.8 Ų40.817%0.17121%0.208CC..Hα-helixtrans-59.8-38.6-180-65.8-14.8000113.8F49 I58 D75 Y79 Y80 L81F49-N77 HydrophobicContact CD1-CB 3.8Å; F49-N77 HydrophobicContact CD2-CB 4.04Å; F49-N77 HydrophobicContact CE1-CB 3.63Å; F49-N77 HydrophobicContact CE2-CB 3.87Å; F49-N77 HydrophobicContact CG-CB 4.01Å; F49-N77 HydrophobicContact CZ-CB 3.66Å; I58-N77 HydrophobicContact CD1-CB 3.84Å; D75-N77 PolarHBondContact O-N 2.92Å; N77-Y79 VanDerWaalsContact C-N 3.28Å; N77-Y79 PolarHBondContact O-N 3.14Å; N77-Y80 PolarHBondContact O-N 3.26Å; N77-L81 PolarHBondContact O-N 3.15Å; N77-L81 VanDerWaalsContact O-N 3.14Å
78L97.8Very high98Very high101 Ų10141.1 Ų41.153%0.52921%0.211SC..Hα-helixtrans-68-33.4-177.3-67.7172.2000111.2F49 N76 Y80 L81 E82F49-L78 HydrophobicContact CZ-CD2 3.96Å; N76-L78 VanDerWaalsContact C-N 3.33Å; N76-L78 PolarHBondContact O-N 3Å; N76-L78 PolarHBondContact OD1-N 3.04Å; L78-Y80 VanDerWaalsContact C-N 3.34Å; L78-Y80 PolarHBondContact O-N 3.49Å; L78-L81 HydrophobicContact CD2-CD2 4.45Å; L78-L81 PolarHBondContact O-N 3.43Å; L78-E82 WeakPolarHBondContact O-CG 3.38Å; L78-E82 PolarHBondContact O-N 2.97Å
79Y97Very high98Very high95 Ų9544.8 Ų44.837%0.37323%0.228SC..Hα-helixtrans-56.6-45.9175.9171-102.2000112N76 N77 A83 I123N76-Y79 WeakPolarHBondContact O-CB 3.43Å; N76-Y79 PolarHBondContact O-N 2.8Å; N77-Y79 VanDerWaalsContact C-N 3.28Å; N77-Y79 PolarHBondContact O-N 3.14Å; Y79-A83 WeakPolarHBondContact O-CB 3.4Å; Y79-A83 PolarHBondContact O-N 2.86Å; Y79-I123 HydrophobicContact CD1-CD1 4Å; Y79-I123 HydrophobicContact CD2-CD1 4.14Å; Y79-I123 HydrophobicContact CE1-CD1 3.43Å; Y79-I123 VanDerWaalsContact CE1-CD1 3.43Å; Y79-I123 HydrophobicContact CE1-CG1 3.74Å; Y79-I123 HydrophobicContact CE2-CD1 3.59Å; Y79-I123 HydrophobicContact CE2-CG1 4.35Å; Y79-I123 HydrophobicContact CG-CD1 4.34Å; Y79-I123 VanDerWaalsContact OH-CB 3.23Å; Y79-I123 WeakPolarHBondContact OH-CB 3.27Å; Y79-I123 WeakPolarHBondContact OH-CD1 3.19Å; Y79-I123 VanDerWaalsContact OH-CG1 3.28Å; Y79-I123 WeakPolarHBondContact OH-CG1 3.45Å
80Y98.6Very high98Very high4 Ų444.7 Ų44.72%0.01623%0.227CC..Hα-helixtrans-75.6-30.5176.9-62.9-55.3000113.7I2 I58 I69 C71 D75 N77 L78 A83 I84I2-Y80 HydrophobicContact CD1-CD1 4.11Å; I2-Y80 HydrophobicContact CD1-CE1 3.78Å; I2-Y80 HydrophobicContact CG1-CD1 3.89Å; I2-Y80 HydrophobicContact CG1-CE1 3.29Å; I58-Y80 HydrophobicContact CG1-CD2 4.29Å; I69-Y80 HydrophobicContact CD1-CD1 4.42Å; I69-Y80 HydrophobicContact CG2-CD1 4.03Å; I69-Y80 HydrophobicContact CG2-CG 4.09Å; C71-Y80 HydrophobicContact CB-CD2 3.66Å; C71-Y80 HydrophobicContact CB-CE2 3.23Å; C71-Y80 VanDerWaalsContact SG-CD2 3.53Å; C71-Y80 VanDerWaalsContact SG-CE2 3.55Å; D75-Y80 HydrophobicContact CB-CD2 4.42Å; D75-Y80 HydrophobicContact CB-CE2 3.51Å; D75-Y80 WeakPolarHBondContact OD2-CE2 3.41Å; D75-Y80 PolarHBondContact OD2-OH 3.11Å; D75-Y80 VanDerWaalsContact OD2-OH 3.07Å; N77-Y80 PolarHBondContact O-N 3.26Å; L78-Y80 VanDerWaalsContact C-N 3.34Å; L78-Y80 PolarHBondContact O-N 3.49Å; Y80-A83 WeakPolarHBondContact O-CB 3.35Å; Y80-A83 PolarHBondContact O-N 3.25Å; Y80-I84 WeakPolarHBondContact O-CG1 3.32Å; Y80-I84 PolarHBondContact O-N 2.93Å
81L98.7Very high98Very high12 Ų1244.7 Ų44.76%0.06323%0.227CC..Hα-helixtrans-64.6-44.4175.8-175.460.5000111.3N48 F49 I58 R60 N77 L78 A83 I84 H85N48-L81 HydrophobicContact CB-CD1 3.89Å; N48-L81 HydrophobicContact CB-CD2 4.21Å; F49-L81 HydrophobicContact CE1-CB 4.24Å; F49-L81 HydrophobicContact CE1-CD2 4.05Å; F49-L81 HydrophobicContact CZ-CD2 4.15Å; I58-L81 HydrophobicContact CG2-CB 3.96Å; I58-L81 HydrophobicContact CG2-CD1 4.44Å; R60-L81 HydrophobicContact CB-CD1 4.18Å; N77-L81 PolarHBondContact O-N 3.15Å; N77-L81 VanDerWaalsContact O-N 3.14Å; L78-L81 HydrophobicContact CD2-CD2 4.45Å; L78-L81 PolarHBondContact O-N 3.43Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-I84 PolarHBondContact O-N 3.42Å; L81-H85 PolarHBondContact O-N 3.07Å; L81-H85 VanDerWaalsContact O-N 3.14Å
82E98.6Very high98Very high103 Ų10348 Ų4848%0.48125%0.245SC..Hα-helixtrans-69.1-33.8175-65.2-49.4128.500111.6L78 I84 H85 N86L78-E82 WeakPolarHBondContact O-CG 3.38Å; L78-E82 PolarHBondContact O-N 2.97Å; E82-I84 PolarHBondContact O-N 3.32Å; E82-H85 PolarHBondContact O-N 2.92Å; E82-H85 VanDerWaalsContact O-N 3.17Å; E82-N86 WeakPolarHBondContact O-CB 3.37Å; E82-N86 PolarHBondContact O-N 2.99Å
83A98.7Very high98Very high7 Ų751 Ų516%0.05826%0.258CS..Hα-helixtrans-60.4-43.3172.700000112.7Y79 Y80 L81 H85 F87 F118 I123Y79-A83 WeakPolarHBondContact O-CB 3.4Å; Y79-A83 PolarHBondContact O-N 2.86Å; Y80-A83 WeakPolarHBondContact O-CB 3.35Å; Y80-A83 PolarHBondContact O-N 3.25Å; L81-A83 VanDerWaalsContact C-N 3.34Å; A83-H85 VanDerWaalsContact C-N 3.3Å; A83-H85 PolarHBondContact O-N 3.13Å; A83-F87 VanDerWaalsContact O-CB 3.28Å; A83-F87 WeakPolarHBondContact O-CB 3.35Å; A83-F87 PolarHBondContact O-N 3.28Å; A83-F118 HydrophobicContact CB-CE1 3.93Å; A83-F118 HydrophobicContact CB-CZ 4.15Å; A83-I123 HydrophobicContact CB-CD1 3.39Å; A83-I123 HydrophobicContact CB-CG1 4.31Å
84I98.9Very high98Very high6 Ų649.8 Ų49.83%0.03125%0.247CC..Hα-helixtrans-61.2-42.1174.5-70.8166.1000110.3I58 R60 Y62 F67 I69 Y80 L81 E82 V88I58-I84 HydrophobicContact CG2-CD1 4.42Å; I58-I84 WeakPolarHBondContact O-CD1 3.31Å; R60-I84 HydrophobicContact CB-CG2 3.91Å; Y62-I84 HydrophobicContact CE2-CG2 4.09Å; F67-I84 HydrophobicContact CB-CG2 3.62Å; F67-I84 HydrophobicContact CG-CG2 4.4Å; I69-I84 HydrophobicContact CB-CD1 4.35Å; I69-I84 HydrophobicContact CD1-CD1 4.18Å; I69-I84 HydrophobicContact CD1-CG1 3.64Å; I69-I84 HydrophobicContact CG1-CD1 3.95Å; I69-I84 HydrophobicContact CG1-CG1 3.82Å; Y80-I84 WeakPolarHBondContact O-CG1 3.32Å; Y80-I84 PolarHBondContact O-N 2.93Å; L81-I84 PolarHBondContact O-N 3.42Å; E82-I84 PolarHBondContact O-N 3.32Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 2.89Å; I84-V88 VanDerWaalsContact O-N 3.13Å
85H98.8Very high98.1Very high53 Ų5344.1 Ų44.125%0.24522%0.215CC..Hα-helixtrans-64.2-52.1178.8-173.139.7000112.2R60 Y62 L81 E82 A83 F87 V88 E89R60-H85 VanDerWaalsContact NH1-CG 3.28Å; R60-H85 PolarHBondContact NH1-ND1 3.44Å; Y62-H85 WeakPolarHBondContact OH-CA 3.45Å; Y62-H85 PolarHBondContact OH-ND1 3.02Å; L81-H85 PolarHBondContact O-N 3.07Å; L81-H85 VanDerWaalsContact O-N 3.14Å; E82-H85 PolarHBondContact O-N 2.92Å; E82-H85 VanDerWaalsContact O-N 3.17Å; A83-H85 VanDerWaalsContact C-N 3.3Å; A83-H85 PolarHBondContact O-N 3.13Å; H85-F87 VanDerWaalsContact C-N 3.27Å; H85-F87 PolarHBondContact O-N 3.06Å; H85-V88 PolarHBondContact O-N 2.99Å; H85-E89 IonicContact CE1-OE1 3.13Å; H85-E89 IonicContact NE2-OE1 3.81Å; H85-E89 PolarHBondContact O-N 2.91Å
86N98.8Very high98Very high26 Ų2649.2 Ų49.214%0.13924%0.237CC..Hα-helixtrans-57.9-41.1177.7-169.140.9000111.6E82 V88 E89 V90 M117 T126 Q128E82-N86 WeakPolarHBondContact O-CB 3.37Å; E82-N86 PolarHBondContact O-N 2.99Å; N86-V88 VanDerWaalsContact C-N 3.33Å; N86-V88 PolarHBondContact O-N 3.43Å; N86-E89 PolarHBondContact O-N 3.37Å; N86-V90 WeakPolarHBondContact O-CG2 3.3Å; N86-V90 PolarHBondContact O-N 3.26Å; N86-M117 HydrophobicContact CB-CE 4.23Å; N86-M117 WeakPolarHBondContact ND2-CE 3.25Å; N86-T126 PolarHBondContact ND2-O 3.35Å; N86-Q128 WeakPolarHBondContact OD1-CG 3.23Å; N86-Q128 PolarHBondContact OD1-NE2 3.42Å
87F98.8Very high97.8Very high7 Ų750.7 Ų50.73%0.03125%0.245CC..Hα-helixtrans-60.1-42.5175.9173.6-116000112.4I7 F67 A83 H85 V90 L91 V110 V113 V114 M117 F118I7-F87 HydrophobicContact CD1-CE1 3.89Å; I7-F87 HydrophobicContact CD1-CZ 4.47Å; F67-F87 HydrophobicContact CD1-CD1 4.16Å; F67-F87 HydrophobicContact CD1-CE1 4.12Å; F67-F87 HydrophobicContact CE1-CD1 4.25Å; F67-F87 AromaticContact CE1-CE1 3.98Å; F67-F87 HydrophobicContact CE1-CE1 3.98Å; A83-F87 VanDerWaalsContact O-CB 3.28Å; A83-F87 WeakPolarHBondContact O-CB 3.35Å; A83-F87 PolarHBondContact O-N 3.28Å; H85-F87 VanDerWaalsContact C-N 3.27Å; H85-F87 PolarHBondContact O-N 3.06Å; F87-V90 PolarHBondContact O-N 3.07Å; F87-L91 HydrophobicContact CD1-CD1 4.12Å; F87-L91 HydrophobicContact CD2-CG 4.44Å; F87-L91 HydrophobicContact CE1-CD1 3.57Å; F87-L91 HydrophobicContact CE1-CG 4.41Å; F87-L91 HydrophobicContact CE2-CD1 4.07Å; F87-L91 HydrophobicContact CE2-CD2 4.25Å; F87-L91 HydrophobicContact CE2-CG 4.05Å; F87-L91 HydrophobicContact CZ-CD1 3.55Å; F87-L91 HydrophobicContact CZ-CD2 4.28Å; F87-L91 HydrophobicContact CZ-CG 4.05Å; F87-L91 WeakPolarHBondContact O-CG 3.45Å; F87-L91 PolarHBondContact O-N 2.87Å; F87-V110 HydrophobicContact CZ-CG1 4.12Å; F87-V113 HydrophobicContact CD2-CG1 3.95Å; F87-V113 HydrophobicContact CE2-CB 4.07Å; F87-V113 HydrophobicContact CE2-CG1 3.74Å; F87-V114 HydrophobicContact CE1-CG2 4.48Å; F87-V114 HydrophobicContact CE2-CG2 3.53Å; F87-V114 HydrophobicContact CZ-CG2 3.49Å; F87-V114 VanDerWaalsContact CZ-CG2 3.49Å; F87-M117 HydrophobicContact CB-CE 4.01Å; F87-M117 HydrophobicContact CB-SD 4.17Å; F87-M117 HydrophobicContact CD2-SD 3.76Å; F87-M117 HydrophobicContact CG-SD 4.47Å; F87-F118 HydrophobicContact CB-CE2 4.17Å; F87-F118 HydrophobicContact CB-CZ 4.33Å; F87-F118 HydrophobicContact CD2-CE2 4.12Å; F87-F118 HydrophobicContact CG-CE2 4.17Å
88V98.7Very high97.8Very high19 Ų1950.9 Ų50.912%0.11525%0.248CC..Hα-helixtrans-68.7-36.2177.4170.40000111.8Y62 F67 I84 H85 N86 L91 N92Y62-V88 HydrophobicContact CD1-CG1 4.02Å; Y62-V88 HydrophobicContact CD2-CG1 4.33Å; Y62-V88 HydrophobicContact CD2-CG2 3.88Å; Y62-V88 HydrophobicContact CE1-CG1 3.97Å; Y62-V88 HydrophobicContact CE2-CB 4.14Å; Y62-V88 HydrophobicContact CE2-CG1 4.26Å; Y62-V88 HydrophobicContact CE2-CG2 3.67Å; Y62-V88 HydrophobicContact CG-CG1 4.19Å; F67-V88 HydrophobicContact CD1-CG2 3.81Å; F67-V88 HydrophobicContact CD2-CG2 4.38Å; F67-V88 HydrophobicContact CE1-CG2 3.56Å; F67-V88 HydrophobicContact CE2-CG2 4.18Å; F67-V88 HydrophobicContact CG-CG2 4.22Å; F67-V88 HydrophobicContact CZ-CG2 3.78Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 2.89Å; I84-V88 VanDerWaalsContact O-N 3.13Å; H85-V88 PolarHBondContact O-N 2.99Å; N86-V88 VanDerWaalsContact C-N 3.33Å; N86-V88 PolarHBondContact O-N 3.43Å; V88-L91 PolarHBondContact O-N 2.79Å; V88-N92 WeakPolarHBondContact O-CB 3.39Å; V88-N92 PolarHBondContact O-N 3.07Å
89E98.7Very high97.8Very high78 Ų7849.1 Ų49.136%0.36424%0.243SC..Hα-helixtrans-64.2-45.5173.6-68.6-169.4135.800111.8H85 N86 L91 N92 E93 Q128H85-E89 IonicContact CE1-OE1 3.13Å; H85-E89 IonicContact NE2-OE1 3.81Å; H85-E89 PolarHBondContact O-N 2.91Å; N86-E89 PolarHBondContact O-N 3.37Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.39Å; E89-N92 WeakPolarHBondContact O-CB 3.26Å; E89-N92 PolarHBondContact O-N 3.23Å; E89-N92 VanDerWaalsContact O-N 3.09Å; E89-E93 PolarHBondContact O-N 2.74Å; E89-Q128 PolarHBondContact OE2-NE2 3.08Å
90V98.7Very high97.8Very high0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-59.4-44.5175.1174.10000111.2N86 F87 N92 E93 Y94 V113 M117 Q128 V131 L132N86-V90 WeakPolarHBondContact O-CG2 3.3Å; N86-V90 PolarHBondContact O-N 3.26Å; F87-V90 PolarHBondContact O-N 3.07Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 2.75Å; V90-E93 PolarHBondContact O-N 3.05Å; V90-Y94 WeakPolarHBondContact O-CB 3.42Å; V90-Y94 PolarHBondContact O-N 2.75Å; V90-V113 HydrophobicContact CB-CG1 4.34Å; V90-V113 HydrophobicContact CG1-CG1 3.56Å; V90-M117 HydrophobicContact CB-SD 3.99Å; V90-M117 HydrophobicContact CG1-SD 4.2Å; V90-M117 HydrophobicContact CG2-CE 4.19Å; V90-M117 HydrophobicContact CG2-SD 3.86Å; V90-Q128 HydrophobicContact CG2-CB 3.9Å; V90-Q128 HydrophobicContact CG2-CG 3.67Å; V90-V131 HydrophobicContact CG1-CB 4.39Å; V90-V131 HydrophobicContact CG1-CG1 3.76Å; V90-L132 HydrophobicContact CG1-CD2 4.23Å; V90-L132 HydrophobicContact CG1-CG 4.46Å
91L98.5Very high97.7Very high1 Ų152.1 Ų52.11%0.00526%0.263CS..Hα-helixtrans-60.4-42.9174.7-72.5176.1000111.6F67 F87 V88 E89 E93 Y94 F95 V98 V110 V113F67-L91 HydrophobicContact CE1-CD1 4.39Å; F87-L91 HydrophobicContact CD1-CD1 4.12Å; F87-L91 HydrophobicContact CD2-CG 4.44Å; F87-L91 HydrophobicContact CE1-CD1 3.57Å; F87-L91 HydrophobicContact CE1-CG 4.41Å; F87-L91 HydrophobicContact CE2-CD1 4.07Å; F87-L91 HydrophobicContact CE2-CD2 4.25Å; F87-L91 HydrophobicContact CE2-CG 4.05Å; F87-L91 HydrophobicContact CZ-CD1 3.55Å; F87-L91 HydrophobicContact CZ-CD2 4.28Å; F87-L91 HydrophobicContact CZ-CG 4.05Å; F87-L91 WeakPolarHBondContact O-CG 3.45Å; F87-L91 PolarHBondContact O-N 2.87Å; V88-L91 PolarHBondContact O-N 2.79Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.39Å; L91-E93 PolarHBondContact O-N 3.5Å; L91-Y94 PolarHBondContact O-N 3.15Å; L91-F95 HydrophobicContact CD2-CD2 4.2Å; L91-F95 HydrophobicContact CD2-CE2 3.79Å; L91-F95 WeakPolarHBondContact O-CD2 3.5Å; L91-F95 PolarHBondContact O-N 2.62Å; L91-V98 HydrophobicContact CB-CB 4.43Å; L91-V98 HydrophobicContact CB-CG1 4.2Å; L91-V98 HydrophobicContact CB-CG2 4.28Å; L91-V110 HydrophobicContact CD2-CG1 4.09Å; L91-V110 HydrophobicContact CD2-CG2 4.28Å; L91-V113 HydrophobicContact CD2-CB 4.17Å; L91-V113 HydrophobicContact CD2-CG1 4.25Å; L91-V113 HydrophobicContact CD2-CG2 3.93Å
92N98.2Very high97.7Very high70 Ų7053.3 Ų53.337%0.37427%0.269SS..Hα-helixtrans-64.6-39.6-178.8-17166.7000112.6V88 E89 V90 H96 N97 V98V88-N92 WeakPolarHBondContact O-CB 3.39Å; V88-N92 PolarHBondContact O-N 3.07Å; E89-N92 WeakPolarHBondContact O-CB 3.26Å; E89-N92 PolarHBondContact O-N 3.23Å; E89-N92 VanDerWaalsContact O-N 3.09Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 2.75Å; N92-H96 WeakPolarHBondContact O-CA 3.44Å; N92-H96 PolarHBondContact O-N 3.45Å; N92-H96 VanDerWaalsContact O-N 3.11Å; N92-N97 PolarHBondContact O-N 3.39Å; N92-N97 VanDerWaalsContact O-N 3.12Å; N92-N97 WeakPolarHBondContact OD1-CA 3.43Å; N92-V98 HydrophobicContact CB-CG1 4.02Å; N92-V98 PolarHBondContact OD1-N 2.92Å
93E98Very high97.7Very high98 Ų9848.7 Ų48.746%0.45825%0.248SC..Hα-helixtrans-69.5-44174.3-170.9171.4167.900111.3E89 V90 L91 F95 H96 L132E89-E93 PolarHBondContact O-N 2.74Å; V90-E93 PolarHBondContact O-N 3.05Å; L91-E93 PolarHBondContact O-N 3.5Å; E93-F95 PolarHBondContact O-N 3.39Å; E93-H96 PolarHBondContact O-N 2.8Å; E93-H96 PolarHBondContact O-ND1 2.92Å; E93-L132 HydrophobicContact CB-CD1 4.04Å; E93-L132 HydrophobicContact CB-CD2 4.48Å; E93-L132 HydrophobicContact CG-CD1 3.62Å; E93-L132 VanDerWaalsContact OE1-CD1 3.23Å; E93-L132 WeakPolarHBondContact OE1-CD1 3.03Å; E93-L132 VanDerWaalsContact OE2-CD1 3.25Å; E93-L132 WeakPolarHBondContact OE2-CD1 3.39Å
94Y97.2Very high97.6Very high33 Ų3350.8 Ų50.813%0.12926%0.26CS..Hα-helixtrans-66.7-37.8-176.9-174.4-126.5000113.9V90 L91 K109 V113 L132 L135 N139V90-Y94 WeakPolarHBondContact O-CB 3.42Å; V90-Y94 PolarHBondContact O-N 2.75Å; L91-Y94 PolarHBondContact O-N 3.15Å; Y94-K109 HydrophobicContact CE1-CB 4.05Å; Y94-K109 HydrophobicContact CE1-CD 4.44Å; Y94-V113 HydrophobicContact CD1-CG2 3.93Å; Y94-V113 HydrophobicContact CE1-CG2 4.16Å; Y94-L132 HydrophobicContact CD2-CD2 4.04Å; Y94-L132 HydrophobicContact CG-CD2 4.24Å; Y94-L135 HydrophobicContact CD1-CD1 4.41Å; Y94-L135 HydrophobicContact CD2-CB 4.4Å; Y94-L135 HydrophobicContact CD2-CD1 4.12Å; Y94-L135 HydrophobicContact CE1-CD1 4.44Å; Y94-L135 HydrophobicContact CE2-CB 3.85Å; Y94-L135 HydrophobicContact CE2-CD1 4.2Å; Y94-L135 HydrophobicContact CG-CD1 4.24Å; Y94-N139 PolarHBondContact OH-ND2 3.15Å; Y94-N139 PolarHBondContact OH-OD1 3.43Å
95F96.5Very high97.6Very high35 Ų3557.4 Ų57.415%0.15429%0.289CS..Hα-helixtrans-96.9-1.4179-71.1-76.8000113.8L91 E93 V98 D102 N106 K109 V110L91-F95 HydrophobicContact CD2-CD2 4.2Å; L91-F95 HydrophobicContact CD2-CE2 3.79Å; L91-F95 WeakPolarHBondContact O-CD2 3.5Å; L91-F95 PolarHBondContact O-N 2.62Å; E93-F95 PolarHBondContact O-N 3.39Å; F95-V98 HydrophobicContact CB-CB 3.95Å; F95-V98 HydrophobicContact CB-CG2 4.13Å; F95-V98 HydrophobicContact CD2-CB 4.36Å; F95-V98 HydrophobicContact CD2-CG2 3.84Å; F95-V98 HydrophobicContact CG-CG2 4.19Å; F95-D102 HydrophobicContact CD1-CB 3.97Å; F95-D102 HydrophobicContact CE1-CB 4.17Å; F95-D102 HydrophobicContact CG-CB 4.2Å; F95-N106 HydrophobicContact CE1-CB 3.72Å; F95-N106 HydrophobicContact CZ-CB 4.01Å; F95-K109 HydrophobicContact CE1-CD 4.46Å; F95-K109 HydrophobicContact CZ-CB 3.99Å; F95-V110 HydrophobicContact CE2-CG2 3.9Å; F95-V110 HydrophobicContact CZ-CG2 3.91Å
96H95.3Very high97.4Very high152 Ų15256.8 Ų56.870%0.70429%0.287SS*.THydrogen-bonded Turntrans51.472.2-175.8-57.3-58.3000113.4N92 E93N92-H96 WeakPolarHBondContact O-CA 3.44Å; N92-H96 PolarHBondContact O-N 3.45Å; N92-H96 VanDerWaalsContact O-N 3.11Å; E93-H96 PolarHBondContact O-N 2.8Å; E93-H96 PolarHBondContact O-ND1 2.92Å
97N93.2Very high97.3Very high133 Ų13361.1 Ų61.171%0.71131%0.305SS*.SBendtrans7969.3-169.8-48.9-66.7000112.6N92 C99N92-N97 PolarHBondContact O-N 3.39Å; N92-N97 VanDerWaalsContact O-N 3.12Å; N92-N97 WeakPolarHBondContact OD1-CA 3.43Å; N97-C99 PolarHBondContact O-N 2.65Å
98V96.7Very high97.1Very high36 Ų3666 Ų6622%0.21832%0.324CS..  trans-58.5136.5-179.7680000111.8L91 N92 F95 D102 L103L91-V98 HydrophobicContact CB-CB 4.43Å; L91-V98 HydrophobicContact CB-CG1 4.2Å; L91-V98 HydrophobicContact CB-CG2 4.28Å; N92-V98 HydrophobicContact CB-CG1 4.02Å; N92-V98 PolarHBondContact OD1-N 2.92Å; F95-V98 HydrophobicContact CB-CB 3.95Å; F95-V98 HydrophobicContact CB-CG2 4.13Å; F95-V98 HydrophobicContact CD2-CB 4.36Å; F95-V98 HydrophobicContact CD2-CG2 3.84Å; F95-V98 HydrophobicContact CG-CG2 4.19Å; V98-D102 HydrophobicContact CG2-CB 4.15Å; V98-L103 HydrophobicContact CG2-CD1 3.64Å
99C96.6Very high97Very high63 Ų6367.9 Ų67.943%0.42633%0.331SS..  trans-126.6170.3171.676.30000111.7N97 L101 D102 L103N97-C99 PolarHBondContact O-N 2.65Å; C99-L101 PolarHBondContact O-N 3.42Å; C99-D102 PolarHBondContact N-OD2 2.78Å; C99-D102 WeakPolarHBondContact O-CB 3.31Å; C99-D102 PolarHBondContact O-N 3.49Å; C99-D102 PolarHBondContact SG-OD2 2.97Å; C99-L103 WeakPolarHBondContact O-CD1 3.26Å
100E97.7Very high96.9Very high59 Ų5964.3 Ų64.328%0.27631%0.314SS..Hα-helixtrans-57.9-32.2-179.4178.7173.7-177.500112.9N9 R15 L65 D102 L103 V104N9-E100 WeakPolarHBondContact CB-OE1 3.07Å; N9-E100 PolarHBondContact ND2-OE1 2.94Å; R15-E100 IonicContact CZ-OE1 3.11Å; R15-E100 IonicContact NE-OE1 2.78Å; R15-E100 PolarHBondContact NE-OE1 3.22Å; R15-E100 IonicContact NH2-OE1 2.65Å; R15-E100 PolarHBondContact NH2-OE1 3.22Å; L65-E100 HydrophobicContact CD1-CB 4.16Å; L65-E100 HydrophobicContact CD1-CG 4.38Å; L65-E100 HydrophobicContact CD2-CG 3.97Å; E100-D102 VanDerWaalsContact C-N 3.29Å; E100-D102 PolarHBondContact O-N 3.45Å; E100-L103 PolarHBondContact O-N 3.42Å; E100-V104 WeakPolarHBondContact O-CG2 3.15Å; E100-V104 PolarHBondContact O-N 2.89Å
101L97.2Very high96.9Very high104 Ų10467.5 Ų67.555%0.54533%0.327SS..Hα-helixtrans-65-33.1178.3-67.3-177.6000112.2C99 L103 V104 F105C99-L101 PolarHBondContact O-N 3.42Å; L101-L103 VanDerWaalsContact C-N 3.28Å; L101-L103 PolarHBondContact O-N 3.44Å; L101-V104 PolarHBondContact O-N 3.33Å; L101-V104 VanDerWaalsContact O-N 3.08Å; L101-F105 HydrophobicContact CB-CD2 4.05Å; L101-F105 HydrophobicContact CB-CE2 4.18Å; L101-F105 HydrophobicContact CD2-CE2 3.92Å; L101-F105 HydrophobicContact CG-CE2 4.44Å; L101-F105 VanDerWaalsContact O-CD2 3.27Å; L101-F105 WeakPolarHBondContact O-CD2 3.44Å; L101-F105 PolarHBondContact O-N 2.93Å
102D97.7Very high96.8Very high36 Ų3668.9 Ų68.919%0.19334%0.339CS..Hα-helixtrans-63.7-38.2176.3-60.8-54.3000111.1F95 V98 C99 E100 V104 N106F95-D102 HydrophobicContact CD1-CB 3.97Å; F95-D102 HydrophobicContact CE1-CB 4.17Å; F95-D102 HydrophobicContact CG-CB 4.2Å; V98-D102 HydrophobicContact CG2-CB 4.15Å; C99-D102 PolarHBondContact N-OD2 2.78Å; C99-D102 WeakPolarHBondContact O-CB 3.31Å; C99-D102 PolarHBondContact O-N 3.49Å; C99-D102 PolarHBondContact SG-OD2 2.97Å; E100-D102 VanDerWaalsContact C-N 3.29Å; E100-D102 PolarHBondContact O-N 3.45Å; D102-V104 PolarHBondContact O-N 3.09Å; D102-N106 CarbonylContact O-C 3.54Å; D102-N106 VanDerWaalsContact O-CA 3.3Å; D102-N106 WeakPolarHBondContact O-CA 3.48Å; D102-N106 VanDerWaalsContact O-CB 3.24Å; D102-N106 WeakPolarHBondContact O-CB 3.4Å; D102-N106 PolarHBondContact O-N 2.92Å
103L98.1Very high96.8Very high6 Ų665.6 Ų65.63%0.03132%0.321CS..Hα-helixtrans-66.9-27.4176-76.162.9000112.2I7 R15 L65 F67 V98 C99 E100 L101 V110I7-L103 HydrophobicContact CD1-CD2 4.27Å; I7-L103 HydrophobicContact CG2-CD2 4.03Å; R15-L103 HydrophobicContact CB-CB 4.21Å; R15-L103 HydrophobicContact CB-CD2 4.21Å; L65-L103 HydrophobicContact CD1-CD2 3.83Å; F67-L103 HydrophobicContact CZ-CD2 4.42Å; V98-L103 HydrophobicContact CG2-CD1 3.64Å; C99-L103 WeakPolarHBondContact O-CD1 3.26Å; E100-L103 PolarHBondContact O-N 3.42Å; L101-L103 VanDerWaalsContact C-N 3.28Å; L101-L103 PolarHBondContact O-N 3.44Å; L103-V110 HydrophobicContact CG-CG2 4.27Å
104V98Very high96.9Very high51 Ų5160.9 Ų60.931%0.30930%0.299SS..Hα-helixtrans-82-50.6178.6177.20000111.4E100 L101 D102E100-V104 WeakPolarHBondContact O-CG2 3.15Å; E100-V104 PolarHBondContact O-N 2.89Å; L101-V104 PolarHBondContact O-N 3.33Å; L101-V104 VanDerWaalsContact O-N 3.08Å; D102-V104 PolarHBondContact O-N 3.09Å
105F97.5Very high96.9Very high146 Ų14662.1 Ų62.164%0.6431%0.308SS*.Hα-helixtrans-86.5-29.5-172.3-67-63.3000113.2L101L101-F105 HydrophobicContact CB-CD2 4.05Å; L101-F105 HydrophobicContact CB-CE2 4.18Å; L101-F105 HydrophobicContact CD2-CE2 3.92Å; L101-F105 HydrophobicContact CG-CE2 4.44Å; L101-F105 VanDerWaalsContact O-CD2 3.27Å; L101-F105 WeakPolarHBondContact O-CD2 3.44Å; L101-F105 PolarHBondContact O-N 2.93Å
106N95.8Very high97Very high40 Ų4061.6 Ų61.621%0.21431%0.306CS..THydrogen-bonded Turntrans-11134.8-179.7-57.2-69.1000111.7F95 D102 Y108 K109 V110F95-N106 HydrophobicContact CE1-CB 3.72Å; F95-N106 HydrophobicContact CZ-CB 4.01Å; D102-N106 CarbonylContact O-C 3.54Å; D102-N106 VanDerWaalsContact O-CA 3.3Å; D102-N106 WeakPolarHBondContact O-CA 3.48Å; D102-N106 VanDerWaalsContact O-CB 3.24Å; D102-N106 WeakPolarHBondContact O-CB 3.4Å; D102-N106 PolarHBondContact O-N 2.92Å; N106-Y108 VanDerWaalsContact C-N 3.26Å; N106-Y108 PolarHBondContact O-N 3.03Å; N106-K109 HydrophobicContact CB-CB 4.29Å; N106-K109 HydrophobicContact CB-CD 4.32Å; N106-K109 HydrophobicContact CB-CG 4.46Å; N106-K109 WeakPolarHBondContact O-CB 3.36Å; N106-K109 PolarHBondContact O-N 2.9Å; N106-V110 PolarHBondContact O-N 2.93Å; N106-V110 VanDerWaalsContact O-N 3.12Å
107F95.9Very high97.1Very high116 Ų11654.5 Ų54.551%0.50927%0.273SS..Hα-helixtrans-53.4-42.3-174.669.7-88.8000112.4K109 V110 Y111F107-K109 VanDerWaalsContact C-N 3.28Å; F107-K109 PolarHBondContact O-N 3.26Å; F107-V110 CarbonylContact O-C 3.52Å; F107-V110 WeakPolarHBondContact O-CA 3.47Å; F107-V110 WeakPolarHBondContact O-CB 3.36Å; F107-V110 PolarHBondContact O-N 3.16Å; F107-Y111 HydrophobicContact CD2-CD2 4.47Å; F107-Y111 VanDerWaalsContact O-CD2 3.31Å; F107-Y111 WeakPolarHBondContact O-CD2 3.21Å; F107-Y111 PolarHBondContact O-N 3.42Å
108Y95Very high97.4Very high111 Ų11148.3 Ų48.344%0.43524%0.24SC..Hα-helixtrans-58.6-39.517963.3-81.5000112.2N106 Y111 A112N106-Y108 VanDerWaalsContact C-N 3.26Å; N106-Y108 PolarHBondContact O-N 3.03Å; Y108-Y111 PolarHBondContact O-N 3.01Å; Y108-A112 PolarHBondContact O-N 3.43Å
109K96.1Very high97.4Very high58 Ų5851.1 Ų51.125%0.25225%0.253SS..Hα-helixtrans-66.7-39.8174-66-169.7175177.30112Y94 F95 N106 F107 Y111 A112 V113Y94-K109 HydrophobicContact CE1-CB 4.05Å; Y94-K109 HydrophobicContact CE1-CD 4.44Å; F95-K109 HydrophobicContact CE1-CD 4.46Å; F95-K109 HydrophobicContact CZ-CB 3.99Å; N106-K109 HydrophobicContact CB-CB 4.29Å; N106-K109 HydrophobicContact CB-CD 4.32Å; N106-K109 HydrophobicContact CB-CG 4.46Å; N106-K109 WeakPolarHBondContact O-CB 3.36Å; N106-K109 PolarHBondContact O-N 2.9Å; F107-K109 VanDerWaalsContact C-N 3.28Å; F107-K109 PolarHBondContact O-N 3.26Å; K109-Y111 VanDerWaalsContact C-N 3.35Å; K109-A112 WeakPolarHBondContact O-CB 3.46Å; K109-A112 PolarHBondContact O-N 3.37Å; K109-V113 VanDerWaalsContact O-CG2 3.3Å; K109-V113 WeakPolarHBondContact O-CG2 3.17Å; K109-V113 PolarHBondContact O-N 3.45Å; K109-V113 VanDerWaalsContact O-N 3.08Å
110V98.1Very high97.5Very high2 Ų251.8 Ų51.81%0.01226%0.263CS..Hα-helixtrans-64-41.3174.8-178.60000110.9L16 F87 L91 F95 L103 N106 F107 A112 V113 V114L16-V110 HydrophobicContact CD1-CG1 3.65Å; F87-V110 HydrophobicContact CZ-CG1 4.12Å; L91-V110 HydrophobicContact CD2-CG1 4.09Å; L91-V110 HydrophobicContact CD2-CG2 4.28Å; F95-V110 HydrophobicContact CE2-CG2 3.9Å; F95-V110 HydrophobicContact CZ-CG2 3.91Å; L103-V110 HydrophobicContact CG-CG2 4.27Å; N106-V110 PolarHBondContact O-N 2.93Å; N106-V110 VanDerWaalsContact O-N 3.12Å; F107-V110 CarbonylContact O-C 3.52Å; F107-V110 WeakPolarHBondContact O-CA 3.47Å; F107-V110 WeakPolarHBondContact O-CB 3.36Å; F107-V110 PolarHBondContact O-N 3.16Å; V110-A112 VanDerWaalsContact C-N 3.32Å; V110-A112 PolarHBondContact O-N 3.03Å; V110-V113 WeakPolarHBondContact O-CB 3.25Å; V110-V113 PolarHBondContact O-N 3.28Å; V110-V114 PolarHBondContact O-N 3.46Å
111Y98Very high97.5Very high67 Ų6749 Ų4926%0.26325%0.25SC..Hα-helixtrans-64-36.2174.1-88.3-92.1000112.1L16 A17 K18 F107 Y108 K109 V113 V114 D115L16-Y111 HydrophobicContact CD1-CD2 4.14Å; L16-Y111 HydrophobicContact CD1-CE2 4.02Å; L16-Y111 HydrophobicContact CD1-CG 4.48Å; L16-Y111 HydrophobicContact CG-CE1 4.39Å; L16-Y111 HydrophobicContact CG-CE2 3.95Å; A17-Y111 VanDerWaalsContact C-OH 3.32Å; A17-Y111 PolarHBondContact N-OH 3.35Å; A17-Y111 PolarHBondContact O-OH 3.02Å; K18-Y111 HydrophobicContact CB-CE1 4.42Å; K18-Y111 HydrophobicContact CD-CD1 4.32Å; K18-Y111 HydrophobicContact CD-CE1 4.11Å; F107-Y111 HydrophobicContact CD2-CD2 4.47Å; F107-Y111 VanDerWaalsContact O-CD2 3.31Å; F107-Y111 WeakPolarHBondContact O-CD2 3.21Å; F107-Y111 PolarHBondContact O-N 3.42Å; Y108-Y111 PolarHBondContact O-N 3.01Å; K109-Y111 VanDerWaalsContact C-N 3.35Å; Y111-V113 VanDerWaalsContact C-N 3.34Å; Y111-V113 PolarHBondContact O-N 2.86Å; Y111-V114 WeakPolarHBondContact O-CB 3.38Å; Y111-V114 PolarHBondContact O-N 3.19Å; Y111-D115 PolarHBondContact O-N 3.19Å
112A97Very high97.5Very high31 Ų3147.9 Ų47.926%0.25624%0.242SC..Hα-helixtrans-60.8-42.2171.800000111.8Y108 K109 V110 V114 D115 E116 L135Y108-A112 PolarHBondContact O-N 3.43Å; K109-A112 WeakPolarHBondContact O-CB 3.46Å; K109-A112 PolarHBondContact O-N 3.37Å; V110-A112 VanDerWaalsContact C-N 3.32Å; V110-A112 PolarHBondContact O-N 3.03Å; A112-V114 VanDerWaalsContact C-N 3.33Å; A112-V114 PolarHBondContact O-N 2.98Å; A112-D115 PolarHBondContact O-N 3.08Å; A112-E116 PolarHBondContact O-N 3.25Å; A112-L135 HydrophobicContact CB-CD2 3.86Å
113V98.5Very high97.5Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-60.7-44.3173.2-172.60000111.1F87 V90 L91 Y94 K109 V110 Y111 D115 E116 M117 V131 L135F87-V113 HydrophobicContact CD2-CG1 3.95Å; F87-V113 HydrophobicContact CE2-CB 4.07Å; F87-V113 HydrophobicContact CE2-CG1 3.74Å; V90-V113 HydrophobicContact CB-CG1 4.34Å; V90-V113 HydrophobicContact CG1-CG1 3.56Å; L91-V113 HydrophobicContact CD2-CB 4.17Å; L91-V113 HydrophobicContact CD2-CG1 4.25Å; L91-V113 HydrophobicContact CD2-CG2 3.93Å; Y94-V113 HydrophobicContact CD1-CG2 3.93Å; Y94-V113 HydrophobicContact CE1-CG2 4.16Å; K109-V113 VanDerWaalsContact O-CG2 3.3Å; K109-V113 WeakPolarHBondContact O-CG2 3.17Å; K109-V113 PolarHBondContact O-N 3.45Å; K109-V113 VanDerWaalsContact O-N 3.08Å; V110-V113 WeakPolarHBondContact O-CB 3.25Å; V110-V113 PolarHBondContact O-N 3.28Å; Y111-V113 VanDerWaalsContact C-N 3.34Å; Y111-V113 PolarHBondContact O-N 2.86Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 3.48Å; V113-E116 PolarHBondContact O-N 2.94Å; V113-M117 HydrophobicContact CG1-CG 4.48Å; V113-M117 HydrophobicContact CG1-SD 3.93Å; V113-M117 WeakPolarHBondContact O-CB 3.27Å; V113-M117 WeakPolarHBondContact O-CG 3.46Å; V113-M117 PolarHBondContact O-N 3.36Å; V113-M117 VanDerWaalsContact O-N 3.07Å; V113-V131 HydrophobicContact CG1-CG1 4.42Å; V113-L135 HydrophobicContact CB-CD1 4.37Å; V113-L135 HydrophobicContact CG1-CD1 4.47Å; V113-L135 HydrophobicContact CG2-CD1 3.64Å; V113-L135 HydrophobicContact CG2-CD2 4.3Å
114V98.6Very high97.5Very high0 Ų053.7 Ų53.70%026%0.263CS..Hα-helixtrans-59.4-44.9176.5170.90000111.3I5 L16 K18 F87 V110 Y111 A112 E116 M117 F118I5-V114 HydrophobicContact CD1-CG1 4.33Å; L16-V114 HydrophobicContact CD1-CG2 3.72Å; K18-V114 HydrophobicContact CG-CG1 4.2Å; F87-V114 HydrophobicContact CE1-CG2 4.48Å; F87-V114 HydrophobicContact CE2-CG2 3.53Å; F87-V114 HydrophobicContact CZ-CG2 3.49Å; F87-V114 VanDerWaalsContact CZ-CG2 3.49Å; V110-V114 PolarHBondContact O-N 3.46Å; Y111-V114 WeakPolarHBondContact O-CB 3.38Å; Y111-V114 PolarHBondContact O-N 3.19Å; A112-V114 VanDerWaalsContact C-N 3.33Å; A112-V114 PolarHBondContact O-N 2.98Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.48Å; V114-M117 PolarHBondContact O-N 2.84Å; V114-F118 HydrophobicContact CG1-CB 4.5Å; V114-F118 HydrophobicContact CG1-CD2 4.18Å; V114-F118 WeakPolarHBondContact O-CA 3.43Å; V114-F118 WeakPolarHBondContact O-CB 3.42Å; V114-F118 PolarHBondContact O-N 3.12Å
115D97.8Very high97.5Very high59 Ų5953.5 Ų53.532%0.31626%0.258SS..Hα-helixtrans-72.8-23.9-176.7-72.7-27.2000113.3K18 Y111 A112 V113 R124K18-D115 VanDerWaalsContact CE-OD1 3.26Å; K18-D115 WeakPolarHBondContact CE-OD1 3.33Å; K18-D115 IonicContact NZ-OD1 3.74Å; K18-D115 PolarHBondContact NZ-OD1 3.44Å; K18-D115 IonicContact NZ-OD2 2.81Å; K18-D115 PolarHBondContact NZ-OD2 2.8Å; Y111-D115 PolarHBondContact O-N 3.19Å; A112-D115 PolarHBondContact O-N 3.08Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 3.48Å; D115-R124 PolarHBondContact O-NH1 3.42Å; D115-R124 VanDerWaalsContact O-NH1 3.15Å
116E98Very high97.5Very high24 Ų2450.7 Ų50.711%0.11225%0.253CS..Hα-helixtrans-75.5-36.3169-69.1-53.5158.200112.6A112 V113 V114 R124 V131 Q134 L135A112-E116 PolarHBondContact O-N 3.25Å; V113-E116 PolarHBondContact O-N 2.94Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.48Å; E116-R124 IonicContact OE2-CZ 2.85Å; E116-R124 IonicContact OE2-NH1 2.93Å; E116-R124 PolarHBondContact OE2-NH1 3.49Å; E116-R124 IonicContact OE2-NH2 3.23Å; E116-R124 PolarHBondContact OE2-NH2 2.95Å; E116-V131 HydrophobicContact CB-CG1 3.96Å; E116-Q134 VanDerWaalsContact CD-CG 3.42Å; E116-Q134 HydrophobicContact CG-CG 4.11Å; E116-Q134 WeakPolarHBondContact OE1-CG 3.48Å; E116-L135 HydrophobicContact CG-CD2 4.18Å
117M98.7Very high97.6Very high3 Ų350.8 Ų50.82%0.01526%0.257CS..Hα-helixtrans-88.6-28.2-176.5-67.2-172.868.800114.2N86 F87 V90 V113 V114 R124 V131N86-M117 HydrophobicContact CB-CE 4.23Å; N86-M117 WeakPolarHBondContact ND2-CE 3.25Å; F87-M117 HydrophobicContact CB-CE 4.01Å; F87-M117 HydrophobicContact CB-SD 4.17Å; F87-M117 HydrophobicContact CD2-SD 3.76Å; F87-M117 HydrophobicContact CG-SD 4.47Å; V90-M117 HydrophobicContact CB-SD 3.99Å; V90-M117 HydrophobicContact CG1-SD 4.2Å; V90-M117 HydrophobicContact CG2-CE 4.19Å; V90-M117 HydrophobicContact CG2-SD 3.86Å; V113-M117 HydrophobicContact CG1-CG 4.48Å; V113-M117 HydrophobicContact CG1-SD 3.93Å; V113-M117 WeakPolarHBondContact O-CB 3.27Å; V113-M117 WeakPolarHBondContact O-CG 3.46Å; V113-M117 PolarHBondContact O-N 3.36Å; V113-M117 VanDerWaalsContact O-N 3.07Å; V114-M117 PolarHBondContact O-N 2.84Å; M117-R124 PolarHBondContact O-N 3.18Å; M117-V131 HydrophobicContact CG-CG1 4.07Å; M117-V131 HydrophobicContact CG-CG2 3.86Å
118F98.6Very high97.7Very high3 Ų347.6 Ų47.61%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-137.7123.9-171.7-54.7-83000110.8I2 I5 Y20 I69 A83 F87 V114 E122 I123I2-F118 HydrophobicContact CD1-CD1 3.72Å; I2-F118 HydrophobicContact CD1-CE1 4.16Å; I5-F118 HydrophobicContact CD1-CB 4.36Å; I5-F118 HydrophobicContact CD1-CD1 4.3Å; I5-F118 HydrophobicContact CD1-CD2 3.95Å; I5-F118 HydrophobicContact CD1-CE2 4.28Å; I5-F118 HydrophobicContact CD1-CG 3.96Å; Y20-F118 WeakPolarHBondContact OH-CB 3.45Å; Y20-F118 PolarHBondContact OH-O 3.11Å; I69-F118 HydrophobicContact CD1-CE1 4.28Å; I69-F118 HydrophobicContact CD1-CZ 4.49Å; A83-F118 HydrophobicContact CB-CE1 3.93Å; A83-F118 HydrophobicContact CB-CZ 4.15Å; F87-F118 HydrophobicContact CB-CE2 4.17Å; F87-F118 HydrophobicContact CB-CZ 4.33Å; F87-F118 HydrophobicContact CD2-CE2 4.12Å; F87-F118 HydrophobicContact CG-CE2 4.17Å; V114-F118 HydrophobicContact CG1-CB 4.5Å; V114-F118 HydrophobicContact CG1-CD2 4.18Å; V114-F118 WeakPolarHBondContact O-CA 3.43Å; V114-F118 WeakPolarHBondContact O-CB 3.42Å; V114-F118 PolarHBondContact O-N 3.12Å; F118-E122 CarbonylContact C-O 3.59Å; F118-E122 VanDerWaalsContact CA-O 3.31Å; F118-E122 WeakPolarHBondContact CA-O 3.3Å; F118-I123 HydrophobicContact CD1-CG1 4.08Å; F118-I123 HydrophobicContact CE1-CG1 4Å
119L97.8Very high97.9Very high95 Ų9547.3 Ų47.350%0.49725%0.254SS..EExtended strand (participates in β ladder)trans-139136.6-178.4-176.865.1000110.5G121 E122 R124L119-G121 PolarHBondContact O-N 3.49Å; L119-G121 VanDerWaalsContact O-N 3.1Å; L119-E122 PolarHBondContact N-O 2.87Å; L119-E122 PolarHBondContact O-N 3.2Å; L119-R124 HydrophobicContact CB-CB 4.11Å; L119-R124 HydrophobicContact CB-CG 4.45Å
120A97Very high98Very high77 Ų7750.5 Ų50.564%0.63627%0.268SS*.THydrogen-bonded Turntrans51.933.3177.500000114.5E122A120-E122 VanDerWaalsContact C-N 3.32Å
121G97.6Very high98Very high0 Ų050.5 Ų50.50%027%0.268CS..THydrogen-bonded Turntrans819.2-179.600000114.5M1 I2 L119M1-G121 VanDerWaalsContact CG-O 3.3Å; M1-G121 WeakPolarHBondContact CG-O 3.48Å; I2-G121 WeakPolarHBondContact CA-O 3.3Å; I2-G121 WeakPolarHBondContact CB-O 3.4Å; I2-G121 WeakPolarHBondContact CG1-O 3.46Å; I2-G121 PolarHBondContact N-O 2.72Å; I2-G121 WeakPolarHBondContact O-CA 3.33Å; L119-G121 PolarHBondContact O-N 3.49Å; L119-G121 VanDerWaalsContact O-N 3.1Å
122E97.7Very high98Very high81 Ų8148 Ų4838%0.37926%0.259SS..EExtended strand (participates in β ladder)trans-125.2158.7-180-62.5-58.9156.800111.1M1 F118 L119 A120M1-E122 WeakPolarHBondContact CA-OE1 3.48Å; M1-E122 WeakPolarHBondContact CB-OE1 3.42Å; M1-E122 VanDerWaalsContact CG-OE1 3.3Å; M1-E122 WeakPolarHBondContact CG-OE1 3.3Å; F118-E122 CarbonylContact C-O 3.59Å; F118-E122 VanDerWaalsContact CA-O 3.31Å; F118-E122 WeakPolarHBondContact CA-O 3.3Å; L119-E122 PolarHBondContact N-O 2.87Å; L119-E122 PolarHBondContact O-N 3.2Å; A120-E122 VanDerWaalsContact C-N 3.32Å
123I98Very high98Very high31 Ų3154.1 Ų54.116%0.15928%0.28CS..EExtended strand (participates in β ladder)trans-74.8129.6171.7-54.4-177.8000108.5Y79 A83 F118 T126Y79-I123 HydrophobicContact CD1-CD1 4Å; Y79-I123 HydrophobicContact CD2-CD1 4.14Å; Y79-I123 HydrophobicContact CE1-CD1 3.43Å; Y79-I123 VanDerWaalsContact CE1-CD1 3.43Å; Y79-I123 HydrophobicContact CE1-CG1 3.74Å; Y79-I123 HydrophobicContact CE2-CD1 3.59Å; Y79-I123 HydrophobicContact CE2-CG1 4.35Å; Y79-I123 HydrophobicContact CG-CD1 4.34Å; Y79-I123 VanDerWaalsContact OH-CB 3.23Å; Y79-I123 WeakPolarHBondContact OH-CB 3.27Å; Y79-I123 WeakPolarHBondContact OH-CD1 3.19Å; Y79-I123 VanDerWaalsContact OH-CG1 3.28Å; Y79-I123 WeakPolarHBondContact OH-CG1 3.45Å; A83-I123 HydrophobicContact CB-CD1 3.39Å; A83-I123 HydrophobicContact CB-CG1 4.31Å; F118-I123 HydrophobicContact CD1-CG1 4.08Å; F118-I123 HydrophobicContact CE1-CG1 4Å; I123-T126 HydrophobicContact CG2-CG2 3.64Å
124R97.2Very high97.9Very high132 Ų13257.4 Ų57.450%0.49830%0.295SS..  trans-98.4-66.2-176.9177.9179.8174.7-145.6-9.8111.7D115 E116 M117 L119D115-R124 PolarHBondContact O-NH1 3.42Å; D115-R124 VanDerWaalsContact O-NH1 3.15Å; E116-R124 IonicContact OE2-CZ 2.85Å; E116-R124 IonicContact OE2-NH1 2.93Å; E116-R124 PolarHBondContact OE2-NH1 3.49Å; E116-R124 IonicContact OE2-NH2 3.23Å; E116-R124 PolarHBondContact OE2-NH2 2.95Å; M117-R124 PolarHBondContact O-N 3.18Å; L119-R124 HydrophobicContact CB-CB 4.11Å; L119-R124 HydrophobicContact CB-CG 4.45Å
125E98.4Very high97.8Very high47 Ų4757.4 Ų57.422%0.2230%0.295CS..  trans-123131.4-177.5-177.755.9-97.300109.9S127 K130 V131E125-S127 VanDerWaalsContact OE1-CB 3.3Å; E125-S127 WeakPolarHBondContact OE1-CB 3.31Å; E125-S127 PolarHBondContact OE1-N 3.29Å; E125-K130 HydrophobicContact CG-CB 4.05Å; E125-K130 HydrophobicContact CG-CD 4.49Å; E125-K130 WeakPolarHBondContact OE2-CD 3.24Å; E125-K130 IonicContact OE2-NZ 2.65Å; E125-K130 PolarHBondContact OE2-NZ 3.12Å; E125-V131 HydrophobicContact CB-CG2 4.05Å; E125-V131 HydrophobicContact CG-CG2 3.68Å
126T98.1Very high97.5Very high87 Ų8759.9 Ų59.953%0.53431%0.307SS..  trans-110.8-18.1-177.153.50000112.4N86 I123 Q128N86-T126 PolarHBondContact ND2-O 3.35Å; I123-T126 HydrophobicContact CG2-CG2 3.64Å; T126-Q128 PolarHBondContact O-N 3.34Å
127S98.5Very high97.3Very high42 Ų4262.4 Ų62.429%0.29432%0.32SS..  trans-74.5111.3176.5178.10000110.9E125 T129 K130 V131E125-S127 VanDerWaalsContact OE1-CB 3.3Å; E125-S127 WeakPolarHBondContact OE1-CB 3.31Å; E125-S127 PolarHBondContact OE1-N 3.29Å; S127-T129 VanDerWaalsContact C-N 3.26Å; S127-T129 PolarHBondContact O-N 3.41Å; S127-K130 PolarHBondContact O-N 3.23Å; S127-K130 VanDerWaalsContact O-N 3.07Å; S127-V131 WeakPolarHBondContact O-CG2 3.35Å; S127-V131 PolarHBondContact O-N 2.84Å
128Q98.3Very high97Very high49 Ų4965.1 Ų65.123%0.22933%0.334CS..Hα-helixtrans-53.1-45.5176.9-54.7-175.111.900111.2N86 E89 V90 T126 K130 V131 L132N86-Q128 WeakPolarHBondContact OD1-CG 3.23Å; N86-Q128 PolarHBondContact OD1-NE2 3.42Å; E89-Q128 PolarHBondContact OE2-NE2 3.08Å; V90-Q128 HydrophobicContact CG2-CB 3.9Å; V90-Q128 HydrophobicContact CG2-CG 3.67Å; T126-Q128 PolarHBondContact O-N 3.34Å; Q128-K130 VanDerWaalsContact C-N 3.34Å; Q128-K130 PolarHBondContact O-N 2.86Å; Q128-V131 PolarHBondContact O-N 3.07Å; Q128-L132 WeakPolarHBondContact O-CB 3.39Å; Q128-L132 WeakPolarHBondContact O-CD1 3.46Å; Q128-L132 VanDerWaalsContact O-CG 3.25Å; Q128-L132 WeakPolarHBondContact O-CG 3.44Å; Q128-L132 PolarHBondContact O-N 3.49Å
129T98.2Very high96.4Very high106 Ų10667.7 Ų67.765%0.6535%0.348SS*.Hα-helixtrans-57.9-42.1178-47.10000112.9S127 K133S127-T129 VanDerWaalsContact C-N 3.26Å; S127-T129 PolarHBondContact O-N 3.41Å; T129-K133 VanDerWaalsContact O-CB 3.27Å; T129-K133 WeakPolarHBondContact O-CB 3.37Å; T129-K133 PolarHBondContact O-N 3.3Å
130K98.4Very high96Very high125 Ų12567.2 Ų67.254%0.54335%0.352SS..Hα-helixtrans-70.6-43179.2-71.3-179-178.91750111.7E125 S127 Q128 K133 Q134E125-K130 HydrophobicContact CG-CB 4.05Å; E125-K130 HydrophobicContact CG-CD 4.49Å; E125-K130 WeakPolarHBondContact OE2-CD 3.24Å; E125-K130 IonicContact OE2-NZ 2.65Å; E125-K130 PolarHBondContact OE2-NZ 3.12Å; S127-K130 PolarHBondContact O-N 3.23Å; S127-K130 VanDerWaalsContact O-N 3.07Å; Q128-K130 VanDerWaalsContact C-N 3.34Å; Q128-K130 PolarHBondContact O-N 2.86Å; K130-K133 PolarHBondContact O-N 3.39Å; K130-Q134 WeakPolarHBondContact O-CB 3.5Å; K130-Q134 PolarHBondContact O-N 2.86Å
131V98.5Very high95.4Very high2 Ų269.7 Ų69.71%0.01235%0.354CS..Hα-helixtrans-58.9-51.3176.8176.50000110V90 V113 E116 M117 E125 S127 Q128 K133 Q134 L135V90-V131 HydrophobicContact CG1-CB 4.39Å; V90-V131 HydrophobicContact CG1-CG1 3.76Å; V113-V131 HydrophobicContact CG1-CG1 4.42Å; E116-V131 HydrophobicContact CB-CG1 3.96Å; M117-V131 HydrophobicContact CG-CG1 4.07Å; M117-V131 HydrophobicContact CG-CG2 3.86Å; E125-V131 HydrophobicContact CB-CG2 4.05Å; E125-V131 HydrophobicContact CG-CG2 3.68Å; S127-V131 WeakPolarHBondContact O-CG2 3.35Å; S127-V131 PolarHBondContact O-N 2.84Å; Q128-V131 PolarHBondContact O-N 3.07Å; V131-K133 PolarHBondContact O-N 3.03Å; V131-Q134 WeakPolarHBondContact O-CB 3.38Å; V131-Q134 PolarHBondContact O-N 2.99Å; V131-Q134 VanDerWaalsContact O-N 3.16Å; V131-L135 HydrophobicContact CG1-CD1 3.85Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.3Å; V131-L135 PolarHBondContact O-N 3.18Å
132L97.8Very high94.1Very high13 Ų1378.7 Ų78.77%0.06840%0.397CS..Hα-helixtrans-61.9-43.2-179.8-68.2165000112.5V90 E93 Y94 Q128 Q134 L135 I136V90-L132 HydrophobicContact CG1-CD2 4.23Å; V90-L132 HydrophobicContact CG1-CG 4.46Å; E93-L132 HydrophobicContact CB-CD1 4.04Å; E93-L132 HydrophobicContact CB-CD2 4.48Å; E93-L132 HydrophobicContact CG-CD1 3.62Å; E93-L132 VanDerWaalsContact OE1-CD1 3.23Å; E93-L132 WeakPolarHBondContact OE1-CD1 3.03Å; E93-L132 VanDerWaalsContact OE2-CD1 3.25Å; E93-L132 WeakPolarHBondContact OE2-CD1 3.39Å; Y94-L132 HydrophobicContact CD2-CD2 4.04Å; Y94-L132 HydrophobicContact CG-CD2 4.24Å; Q128-L132 WeakPolarHBondContact O-CB 3.39Å; Q128-L132 WeakPolarHBondContact O-CD1 3.46Å; Q128-L132 VanDerWaalsContact O-CG 3.25Å; Q128-L132 WeakPolarHBondContact O-CG 3.44Å; Q128-L132 PolarHBondContact O-N 3.49Å; L132-Q134 VanDerWaalsContact C-N 3.28Å; L132-Q134 PolarHBondContact O-N 3.26Å; L132-L135 PolarHBondContact O-N 3.38Å; L132-I136 WeakPolarHBondContact O-CD1 3.26Å; L132-I136 VanDerWaalsContact O-CG1 3.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.4Å; L132-I136 PolarHBondContact O-N 3.48Å
133K97.1Very high93.9Very high161 Ų16178.6 Ų78.670%0.740%0.397SS*.Hα-helixtrans-58.9-42.1175.8-176.3179.2179.3-178.70111.6T129 K130 V131 M137T129-K133 VanDerWaalsContact O-CB 3.27Å; T129-K133 WeakPolarHBondContact O-CB 3.37Å; T129-K133 PolarHBondContact O-N 3.3Å; K130-K133 PolarHBondContact O-N 3.39Å; V131-K133 PolarHBondContact O-N 3.03Å; K133-M137 WeakPolarHBondContact O-CB 3.27Å; K133-M137 PolarHBondContact O-N 2.93Å; K133-M137 VanDerWaalsContact O-N 3.08Å
134Q96.3Very high93.7Very high68 Ų6881.1 Ų81.132%0.31841%0.41SS..Hα-helixtrans-66.7-43.1178.1-177.661.517.700111.6E116 K130 V131 L132 I136 M137 L138E116-Q134 VanDerWaalsContact CD-CG 3.42Å; E116-Q134 HydrophobicContact CG-CG 4.11Å; E116-Q134 WeakPolarHBondContact OE1-CG 3.48Å; K130-Q134 WeakPolarHBondContact O-CB 3.5Å; K130-Q134 PolarHBondContact O-N 2.86Å; V131-Q134 WeakPolarHBondContact O-CB 3.38Å; V131-Q134 PolarHBondContact O-N 2.99Å; V131-Q134 VanDerWaalsContact O-N 3.16Å; L132-Q134 VanDerWaalsContact C-N 3.28Å; L132-Q134 PolarHBondContact O-N 3.26Å; Q134-I136 PolarHBondContact O-N 3.31Å; Q134-M137 WeakPolarHBondContact O-CB 3.5Å; Q134-M137 PolarHBondContact O-N 3.24Å; Q134-M137 VanDerWaalsContact OE1-CE 3.3Å; Q134-L138 HydrophobicContact CG-CD1 4.43Å; Q134-L138 WeakPolarHBondContact O-CG 3.39Å; Q134-L138 PolarHBondContact O-N 2.93Å
135L95.6Very high93.5Very high1 Ų178.3 Ų78.31%0.00541%0.405CS..Hα-helixtrans-62.2-42.3176.6-67168.8000112.3Y94 A112 V113 E116 V131 L132 M137 L138 N139Y94-L135 HydrophobicContact CD1-CD1 4.41Å; Y94-L135 HydrophobicContact CD2-CB 4.4Å; Y94-L135 HydrophobicContact CD2-CD1 4.12Å; Y94-L135 HydrophobicContact CE1-CD1 4.44Å; Y94-L135 HydrophobicContact CE2-CB 3.85Å; Y94-L135 HydrophobicContact CE2-CD1 4.2Å; Y94-L135 HydrophobicContact CG-CD1 4.24Å; A112-L135 HydrophobicContact CB-CD2 3.86Å; V113-L135 HydrophobicContact CB-CD1 4.37Å; V113-L135 HydrophobicContact CG1-CD1 4.47Å; V113-L135 HydrophobicContact CG2-CD1 3.64Å; V113-L135 HydrophobicContact CG2-CD2 4.3Å; E116-L135 HydrophobicContact CG-CD2 4.18Å; V131-L135 HydrophobicContact CG1-CD1 3.85Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.3Å; V131-L135 PolarHBondContact O-N 3.18Å; L132-L135 PolarHBondContact O-N 3.38Å; L135-M137 VanDerWaalsContact C-N 3.32Å; L135-M137 PolarHBondContact O-N 3.08Å; L135-L138 PolarHBondContact O-N 3.28Å; L135-N139 PolarHBondContact O-N 2.97Å; L135-N139 PolarHBondContact O-ND2 3.33Å
136I92.8Very high93.2Very high110 Ų11080.1 Ų80.156%0.56442%0.416SS*.Hα-helixtrans-62.9-41.7176-67.5163.6000110.7L132 Q134 N139 S140L132-I136 WeakPolarHBondContact O-CD1 3.26Å; L132-I136 VanDerWaalsContact O-CG1 3.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.4Å; L132-I136 PolarHBondContact O-N 3.48Å; Q134-I136 PolarHBondContact O-N 3.31Å; I136-N139 PolarHBondContact O-N 3.2Å; I136-S140 PolarHBondContact O-N 3.43Å
137M93.9Very high92.9Very high78 Ų7879.7 Ų79.738%0.38441%0.409SS..Hα-helixtrans-62.6-45.7176.5-175.8-81.8-65.800111K133 Q134 L135 N139 S140 L141K133-M137 WeakPolarHBondContact O-CB 3.27Å; K133-M137 PolarHBondContact O-N 2.93Å; K133-M137 VanDerWaalsContact O-N 3.08Å; Q134-M137 WeakPolarHBondContact O-CB 3.5Å; Q134-M137 PolarHBondContact O-N 3.24Å; Q134-M137 VanDerWaalsContact OE1-CE 3.3Å; L135-M137 VanDerWaalsContact C-N 3.32Å; L135-M137 PolarHBondContact O-N 3.08Å; M137-N139 PolarHBondContact O-N 3.08Å; M137-S140 WeakPolarHBondContact O-CB 3.49Å; M137-S140 PolarHBondContact O-N 3.46Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 3.07Å; M137-L141 HydrophobicContact SD-CD1 3.78Å; M137-L141 HydrophobicContact SD-CG 4.28Å
138L90.3Very high92.6Very high60 Ų6082.2 Ų82.231%0.31442%0.416SS..Hα-helixtrans-59.7-45.3176.7-71171.4000112.2Q134 L135 S140 L141Q134-L138 HydrophobicContact CG-CD1 4.43Å; Q134-L138 WeakPolarHBondContact O-CG 3.39Å; Q134-L138 PolarHBondContact O-N 2.93Å; L135-L138 PolarHBondContact O-N 3.28Å; L138-S140 PolarHBondContact O-N 2.65Å; L138-S140 VanDerWaalsContact O-N 3.17Å; L138-L141 WeakPolarHBondContact O-CB 3.49Å; L138-L141 PolarHBondContact O-N 3.17Å
139N86.6Confident92.1Very high57 Ų5784.6 Ų84.631%0.30543%0.43SS..Hα-helixtrans-62.3-22.3176.9-67.7-26.1000113.3Y94 L135 I136 M137 L141Y94-N139 PolarHBondContact OH-ND2 3.15Å; Y94-N139 PolarHBondContact OH-OD1 3.43Å; L135-N139 PolarHBondContact O-N 2.97Å; L135-N139 PolarHBondContact O-ND2 3.33Å; I136-N139 PolarHBondContact O-N 3.2Å; M137-N139 PolarHBondContact O-N 3.08Å; N139-L141 VanDerWaalsContact C-N 3.33Å
140S89.1Confident91.7Very high84 Ų8482.9 Ų82.959%0.58741%0.413SS*.THydrogen-bonded Turntrans-83-11.3177.974.80000113.9I136 M137 L138I136-S140 PolarHBondContact O-N 3.43Å; M137-S140 WeakPolarHBondContact O-CB 3.49Å; M137-S140 PolarHBondContact O-N 3.46Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 3.07Å; L138-S140 PolarHBondContact O-N 2.65Å; L138-S140 VanDerWaalsContact O-N 3.17Å
141L84.8Confident91.1Very high130 Ų13079.4 Ų79.468%0.68140%0.402SS*.  trans-91.1-12.6176-60.7176.8000112.6M137 L138 N139M137-L141 HydrophobicContact SD-CD1 3.78Å; M137-L141 HydrophobicContact SD-CG 4.28Å; L138-L141 WeakPolarHBondContact O-CB 3.49Å; L138-L141 PolarHBondContact O-N 3.17Å; N139-L141 VanDerWaalsContact C-N 3.33Å
142E70.5Confident90.4Very high189 Ų18986.5 Ų86.588%0.88344%0.437SS*.  trans-82.70173.1-62-176.1167.300111.1

Retrieved 142 of 142 residues in 32.5 ms (Link to these results)

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