A0A096NR44_PAPAN Loading...

AP complex subunit sigma

AlphaFold DB (B5DFI3), UniProt , Accession A0A096NR44, Species PAPAN (Papio anubis, Olive baboon), Gene AP1S1, Length 158 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
1M91.4Very high96.9Very high55 Ų5543.7 Ų43.727%0.27119%0.186SC..  0134.50-174.4-161.2-172.600112.3L21 E72 D75 G120M1-L21 HydrophobicContact CE-CD2 3.85Å; M1-L21 HydrophobicContact CE-CG 4.42Å; M1-L21 HydrophobicContact SD-CD2 4.41Å; M1-E72 PolarHBondContact N-OE2 3.1Å; M1-E72 PolarHBondContact O-N 3.43Å; M1-D75 PolarHBondContact N-OD1 3.49Å; M1-D75 PolarHBondContact N-OD2 3.48Å; M1-G120 WeakPolarHBondContact CE-O 3.37Å
2M97.5Very high96.8Very high6 Ų642.5 Ų42.53%0.0320%0.195CC..EExtended strand (participates in β ladder)trans-73127.3171.8-169.3-176.7-58.500111.7M5 Y20 C69 A70 I71 T80 L83 L118 G121M2-M5 HydrophobicContact SD-CB 3.92Å; M2-Y20 HydrophobicContact CB-CD2 4.34Å; M2-Y20 HydrophobicContact CG-CD2 4.29Å; M2-Y20 HydrophobicContact CG-CE2 4.3Å; M2-Y20 WeakPolarHBondContact O-CB 3.45Å; M2-Y20 WeakPolarHBondContact O-CD2 3.32Å; M2-Y20 HydrophobicContact SD-CD2 4.43Å; M2-Y20 HydrophobicContact SD-CE2 3.86Å; M2-C69 HydrophobicContact CE-CB 3.82Å; M2-C69 VanDerWaalsContact CE-SG 3.51Å; M2-C69 HydrophobicContact CG-CB 4.31Å; M2-C69 HydrophobicContact SD-CB 3.89Å; M2-C69 VanDerWaalsContact SD-SG 3.66Å; M2-A70 CarbonylContact C-O 3.5Å; M2-A70 WeakPolarHBondContact CG-O 3.24Å; M2-I71 HydrophobicContact CB-CG2 4.33Å; M2-I71 HydrophobicContact CG-CG2 4.25Å; M2-T80 HydrophobicContact CE-CG2 4.34Å; M2-L83 HydrophobicContact CE-CD1 3.84Å; M2-L83 HydrophobicContact CE-CD2 3.84Å; M2-L118 HydrophobicContact CE-CD1 4.46Å; M2-G121 WeakPolarHBondContact CB-O 3.25Å; M2-G121 PolarHBondContact N-O 3.16Å; M2-G121 WeakPolarHBondContact O-CA 3.01Å
3R97.3Very high96.8Very high86 Ų8648.2 Ų48.233%0.32522%0.219SC..EExtended strand (participates in β ladder)trans-79.1-44.1179-63.1-72.9176.2154.8-4.4111.9Y20 L55 A70 E72R3-Y20 PolarHBondContact O-N 3.44Å; R3-L55 HydrophobicContact CB-CD1 4.38Å; R3-L55 HydrophobicContact CG-CD1 3.99Å; R3-L55 HydrophobicContact CG-CD2 3.9Å; R3-A70 HydrophobicContact CB-CB 4.39Å; R3-A70 PolarHBondContact N-O 3.07Å; R3-E72 IonicContact CZ-OE1 3.52Å; R3-E72 IonicContact NE-OE1 3.35Å; R3-E72 PolarHBondContact NE-OE1 2.84Å; R3-E72 IonicContact NH2-OE1 2.99Å; R3-E72 PolarHBondContact NH2-OE1 3.48Å
4F98.3Very high96.9Very high4 Ų448.9 Ų48.92%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-162.5160.2177.457.8-99.5000111.8L6 K18 W19 M31 L35 W52 C69 A70F4-L6 HydrophobicContact CD2-CD1 4.21Å; F4-L6 HydrophobicContact CD2-CD2 4.19Å; F4-L6 HydrophobicContact CD2-CG 3.82Å; F4-L6 HydrophobicContact CE2-CD1 3.93Å; F4-L6 HydrophobicContact CE2-CG 4.03Å; F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.43Å; F4-K18 WeakPolarHBondContact CB-O 3.29Å; F4-W19 HydrophobicContact CB-CD2 4.01Å; F4-W19 HydrophobicContact CB-CE3 3.63Å; F4-W19 HydrophobicContact CB-CZ3 3.97Å; F4-W19 AromaticContact CD1-CE3 3.76Å; F4-W19 HydrophobicContact CD1-CE3 3.76Å; F4-W19 HydrophobicContact CD1-CH2 4.06Å; F4-W19 AromaticContact CD1-CZ3 3.3Å; F4-W19 HydrophobicContact CD1-CZ3 3.3Å; F4-W19 HydrophobicContact CD2-CZ3 4.47Å; F4-W19 HydrophobicContact CE1-CH2 4.33Å; F4-W19 AromaticContact CE1-CZ3 3.84Å; F4-W19 HydrophobicContact CE1-CZ3 3.84Å; F4-W19 AromaticContact CG-CE3 3.88Å; F4-W19 HydrophobicContact CG-CE3 3.88Å; F4-W19 HydrophobicContact CG-CH2 4.18Å; F4-W19 AromaticContact CG-CZ3 3.67Å; F4-W19 HydrophobicContact CG-CZ3 3.67Å; F4-M31 HydrophobicContact CE1-SD 4.42Å; F4-L35 HydrophobicContact CE2-CD2 3.68Å; F4-L35 HydrophobicContact CZ-CD2 3.9Å; F4-W52 HydrophobicContact CE1-CZ3 4.05Å; F4-W52 HydrophobicContact CZ-CH2 4.14Å; F4-W52 AromaticContact CZ-CZ3 3.65Å; F4-W52 HydrophobicContact CZ-CZ3 3.65Å; F4-C69 WeakPolarHBondContact O-CA 3.36Å; F4-A70 HydrophobicContact CD1-CB 3.97Å; F4-A70 HydrophobicContact CD2-CB 4.02Å; F4-A70 HydrophobicContact CE1-CB 3.52Å; F4-A70 HydrophobicContact CE2-CB 3.57Å; F4-A70 HydrophobicContact CG-CB 4.21Å; F4-A70 HydrophobicContact CZ-CB 3.31Å; F4-A70 PolarHBondContact O-N 2.89Å
5M98.4Very high97Very high0 Ų049.7 Ų49.70%023%0.226CC..EExtended strand (participates in β ladder)trans-125.4130.9172.5-177.3166.8-178.800110.2M2 L7 Q17 K18 F67 C68 Y87 L114 L118M2-M5 HydrophobicContact SD-CB 3.92Å; M5-L7 HydrophobicContact CE-CD1 3.81Å; M5-L7 HydrophobicContact CG-CD1 4.01Å; M5-Q17 WeakPolarHBondContact O-CA 3.33Å; M5-K18 PolarHBondContact N-O 3.42Å; M5-K18 PolarHBondContact O-N 3.11Å; M5-F67 HydrophobicContact CE-CD1 3.83Å; M5-C68 CarbonylContact C-O 3.5Å; M5-C68 WeakPolarHBondContact CA-O 3.36Å; M5-Y87 HydrophobicContact CE-CD1 3.45Å; M5-Y87 VanDerWaalsContact CE-CD1 3.45Å; M5-Y87 HydrophobicContact CE-CE1 3.88Å; M5-Y87 HydrophobicContact CE-CG 4.3Å; M5-L114 HydrophobicContact SD-CD1 3.81Å; M5-L114 HydrophobicContact SD-CD2 4.45Å; M5-L118 HydrophobicContact SD-CD1 4.42Å
6L98.5Very high97Very high0 Ų046.8 Ų46.80%021%0.212CC..EExtended strand (participates in β ladder)trans-121.2137.1178.2-53.7179.5000110.3F4 F8 L14 L16 Q17 W19 V32 L35 C68F4-L6 HydrophobicContact CD2-CD1 4.21Å; F4-L6 HydrophobicContact CD2-CD2 4.19Å; F4-L6 HydrophobicContact CD2-CG 3.82Å; F4-L6 HydrophobicContact CE2-CD1 3.93Å; F4-L6 HydrophobicContact CE2-CG 4.03Å; L6-F8 HydrophobicContact CB-CD1 4.05Å; L6-F8 HydrophobicContact CB-CE1 4.2Å; L6-L14 HydrophobicContact CB-CD1 4.44Å; L6-L14 HydrophobicContact CD2-CD1 4.4Å; L6-L16 WeakPolarHBondContact CA-O 3.49Å; L6-Q17 HydrophobicContact CD2-CB 3.64Å; L6-W19 HydrophobicContact CD2-CZ2 4.46Å; L6-V32 HydrophobicContact CD1-CG2 4Å; L6-V32 HydrophobicContact CD2-CG2 3.89Å; L6-L35 HydrophobicContact CD1-CD2 4.28Å; L6-C68 HydrophobicContact CB-CB 4.37Å; L6-C68 PolarHBondContact N-O 2.62Å; L6-C68 PolarHBondContact O-N 3.38Å
7L98.3Very high97.1Very high0 Ų048.3 Ų48.30%022%0.22CC..EExtended strand (participates in β ladder)trans-115.8128.2165.7-73.656.5000108.3M5 L14 R15 L16 Y66 F67 Y87M5-L7 HydrophobicContact CE-CD1 3.81Å; M5-L7 HydrophobicContact CG-CD1 4.01Å; L7-L14 WeakPolarHBondContact O-CD1 3.37Å; L7-R15 HydrophobicContact CB-CB 4.21Å; L7-R15 PolarHBondContact O-N 2.9Å; L7-L16 HydrophobicContact CB-CB 3.91Å; L7-L16 HydrophobicContact CD1-CB 4.1Å; L7-L16 HydrophobicContact CD1-CD2 4.03Å; L7-L16 HydrophobicContact CD2-CB 3.95Å; L7-L16 HydrophobicContact CD2-CD1 4.47Å; L7-L16 HydrophobicContact CG-CB 4.2Å; L7-L16 PolarHBondContact N-O 2.97Å; L7-L16 PolarHBondContact O-N 2.96Å; L7-Y66 VanDerWaalsContact CA-O 3.28Å; L7-Y66 WeakPolarHBondContact CA-O 3.19Å; L7-F67 HydrophobicContact CD1-CD1 3.9Å; L7-F67 HydrophobicContact CD1-CE1 4.24Å; L7-F67 HydrophobicContact CD2-CD1 4.05Å; L7-F67 HydrophobicContact CD2-CE1 3.55Å; L7-F67 HydrophobicContact CD2-CZ 4.01Å; L7-F67 HydrophobicContact CG-CD1 3.71Å; L7-F67 HydrophobicContact CG-CE1 3.74Å; L7-F67 HydrophobicContact CG-CG 4.26Å; L7-F67 HydrophobicContact CG-CZ 4.3Å; L7-Y87 HydrophobicContact CD2-CE1 4.25Å
8F98.4Very high97.2Very high0 Ų048.3 Ų48.30%022%0.219CC..EExtended strand (participates in β ladder)trans-147.1150.2176.851.2-91.2000112.2L6 K13 L14 M36 V39 L40 Y66 C68L6-F8 HydrophobicContact CB-CD1 4.05Å; L6-F8 HydrophobicContact CB-CE1 4.2Å; F8-K13 CarbonylContact C-O 3.55Å; F8-K13 WeakPolarHBondContact CA-O 3.39Å; F8-K13 WeakPolarHBondContact CB-O 3.41Å; F8-L14 HydrophobicContact CB-CD1 4.45Å; F8-M36 HydrophobicContact CB-CE 3.5Å; F8-M36 HydrophobicContact CB-CG 4.32Å; F8-M36 HydrophobicContact CB-SD 3.97Å; F8-M36 HydrophobicContact CD1-CG 3.59Å; F8-M36 HydrophobicContact CD1-SD 4.16Å; F8-M36 HydrophobicContact CD2-CE 4.06Å; F8-M36 HydrophobicContact CD2-CG 3.98Å; F8-M36 HydrophobicContact CE1-CG 3.77Å; F8-M36 HydrophobicContact CE2-CB 4.46Å; F8-M36 HydrophobicContact CE2-CG 4.15Å; F8-M36 HydrophobicContact CG-CE 3.8Å; F8-M36 HydrophobicContact CG-CG 3.7Å; F8-M36 HydrophobicContact CG-SD 4.02Å; F8-M36 HydrophobicContact CZ-CG 4.05Å; F8-V39 HydrophobicContact CE2-CB 4.35Å; F8-V39 HydrophobicContact CE2-CG1 4.12Å; F8-V39 HydrophobicContact CZ-CB 3.93Å; F8-V39 HydrophobicContact CZ-CG1 3.85Å; F8-V39 HydrophobicContact CZ-CG2 4.39Å; F8-L40 HydrophobicContact CD2-CD2 4.35Å; F8-L40 HydrophobicContact CD2-CG 4.43Å; F8-L40 HydrophobicContact CE2-CD2 4.13Å; F8-L40 HydrophobicContact CE2-CG 4.08Å; F8-Y66 HydrophobicContact CD2-CD2 4.43Å; F8-Y66 HydrophobicContact CD2-CG 4.25Å; F8-Y66 VanDerWaalsContact CE2-CB 3.44Å; F8-Y66 HydrophobicContact CE2-CD1 4.3Å; F8-Y66 HydrophobicContact CE2-CD2 4.28Å; F8-Y66 AromaticContact CE2-CG 3.78Å; F8-Y66 HydrophobicContact CE2-CG 3.78Å; F8-Y66 HydrophobicContact CZ-CG 4.41Å; F8-Y66 PolarHBondContact N-O 3.27Å; F8-Y66 WeakPolarHBondContact O-CB 3.25Å; F8-Y66 PolarHBondContact O-N 2.91Å; F8-C68 HydrophobicContact CE1-CB 3.75Å; F8-C68 HydrophobicContact CZ-CB 4.26Å
9S97.3Very high97.2Very high2 Ų247.5 Ų47.51%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-76164.217980.40000111.9Q11 G12 K13 S64 E100S9-Q11 PolarHBondContact O-N 3.24Å; S9-Q11 VanDerWaalsContact O-N 3.11Å; S9-Q11 PolarHBondContact OG-N 3.42Å; S9-G12 PolarHBondContact O-N 3.03Å; S9-K13 PolarHBondContact N-O 2.99Å; S9-K13 WeakPolarHBondContact OG-CB 3.21Å; S9-K13 PolarHBondContact OG-N 3.42Å; S9-S64 CarbonylContact C-O 3.58Å; S9-S64 WeakPolarHBondContact CA-O 3.35Å; S9-E100 WeakPolarHBondContact CB-OE1 3.48Å
10R95.3Very high97.2Very high164 Ų16446.7 Ų46.762%0.61921%0.209SC*.THydrogen-bonded Turntrans-54.8-26.2169.9-175.3177.6175-178.8-1.2113.3G12 S64 Y66R10-G12 PolarHBondContact O-N 3.29Å; R10-S64 PolarHBondContact N-O 3.2Å; R10-Y66 HydrophobicContact CB-CE2 4.34Å
11Q95.1Very high97.1Very high164 Ų16447.1 Ų47.177%0.76621%0.213SC*.THydrogen-bonded Turntrans-83.94.5177.4-60.8178.9-1.800113.1S9 K13S9-Q11 PolarHBondContact O-N 3.24Å; S9-Q11 VanDerWaalsContact O-N 3.11Å; S9-Q11 PolarHBondContact OG-N 3.42Å; Q11-K13 HydrophobicContact CB-CG 4.44Å
12G95.5Very high97.4Very high29 Ų2949.4 Ų49.430%0.29924%0.241SC..SBendtrans72.929.4-178.100000113.5S9 R10 M36S9-G12 PolarHBondContact O-N 3.03Å; R10-G12 PolarHBondContact O-N 3.29Å; G12-M36 WeakPolarHBondContact O-CE 3.48Å
13K97.3Very high97.2Very high116 Ų11650.9 Ų50.950%0.50425%0.251SS..  trans-95.7122.3171.8-58.4-61.8-174.81780109.6F8 S9 Q11F8-K13 CarbonylContact C-O 3.55Å; F8-K13 WeakPolarHBondContact CA-O 3.39Å; F8-K13 WeakPolarHBondContact CB-O 3.41Å; S9-K13 PolarHBondContact N-O 2.99Å; S9-K13 WeakPolarHBondContact OG-CB 3.21Å; S9-K13 PolarHBondContact OG-N 3.42Å; Q11-K13 HydrophobicContact CB-CG 4.44Å
14L97.9Very high97.2Very high58 Ų5849.6 Ų49.630%0.30426%0.255SS..EExtended strand (participates in β ladder)trans-70.8135.8176.2-167.670.9000110L6 L7 F8 Q17 V32 M36L6-L14 HydrophobicContact CB-CD1 4.44Å; L6-L14 HydrophobicContact CD2-CD1 4.4Å; L7-L14 WeakPolarHBondContact O-CD1 3.37Å; F8-L14 HydrophobicContact CB-CD1 4.45Å; L14-Q17 HydrophobicContact CD1-CB 4.5Å; L14-Q17 HydrophobicContact CD2-CB 4.01Å; L14-Q17 HydrophobicContact CD2-CG 3.72Å; L14-V32 HydrophobicContact CD1-CG1 4.01Å; L14-V32 HydrophobicContact CD2-CG1 4.17Å; L14-M36 HydrophobicContact CD1-SD 4.22Å
15R97.9Very high97.2Very high62 Ų6254.3 Ų54.323%0.23428%0.28CS..EExtended strand (participates in β ladder)trans-113.9-36.8178.7-56.2-52.2-178.9-168.34.6112.2L7 L65 E100 I103 I104L7-R15 HydrophobicContact CB-CB 4.21Å; L7-R15 PolarHBondContact O-N 2.9Å; R15-L65 HydrophobicContact CG-CD2 3.77Å; R15-E100 IonicContact CZ-OE1 2.59Å; R15-E100 VanDerWaalsContact CZ-OE1 3.23Å; R15-E100 IonicContact NE-OE1 3.65Å; R15-E100 PolarHBondContact NE-OE1 3.19Å; R15-E100 IonicContact NH2-OE1 3.49Å; R15-E100 PolarHBondContact NH2-OE1 3.39Å; R15-I103 HydrophobicContact CB-CG2 4.14Å; R15-I104 VanDerWaalsContact CZ-CD1 3.43Å
16L98.2Very high97.1Very high2 Ų263 Ų631%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-147.8142.9177.9-170.6149.4000109.4L6 L7 K18 A110 Y111 L114L6-L16 WeakPolarHBondContact CA-O 3.49Å; L7-L16 HydrophobicContact CB-CB 3.91Å; L7-L16 HydrophobicContact CD1-CB 4.1Å; L7-L16 HydrophobicContact CD1-CD2 4.03Å; L7-L16 HydrophobicContact CD2-CB 3.95Å; L7-L16 HydrophobicContact CD2-CD1 4.47Å; L7-L16 HydrophobicContact CG-CB 4.2Å; L7-L16 PolarHBondContact N-O 2.97Å; L7-L16 PolarHBondContact O-N 2.96Å; L16-K18 HydrophobicContact CD2-CB 4.23Å; L16-A110 HydrophobicContact CD1-CB 4.13Å; L16-Y111 HydrophobicContact CD1-CD1 4.19Å; L16-Y111 HydrophobicContact CD1-CD2 4.25Å; L16-Y111 HydrophobicContact CD1-CE1 4.24Å; L16-Y111 HydrophobicContact CD1-CE2 4.27Å; L16-Y111 HydrophobicContact CD1-CG 4.2Å; L16-Y111 HydrophobicContact CD2-CD1 4.49Å; L16-Y111 HydrophobicContact CD2-CE1 3.99Å; L16-Y111 HydrophobicContact CG-CD1 4.19Å; L16-Y111 HydrophobicContact CG-CD2 4.44Å; L16-Y111 HydrophobicContact CG-CE1 3.73Å; L16-Y111 HydrophobicContact CG-CE2 3.99Å; L16-L114 HydrophobicContact CD1-CD2 4.43Å; L16-L114 HydrophobicContact CD2-CD2 3.73Å
17Q98.1Very high97Very high73 Ų7367.6 Ų67.634%0.34134%0.34SS..EExtended strand (participates in β ladder)trans-142.4106170.648.7164.9-3.900110.8M5 L6 L14 Y111M5-Q17 WeakPolarHBondContact O-CA 3.33Å; L6-Q17 HydrophobicContact CD2-CB 3.64Å; L14-Q17 HydrophobicContact CD1-CB 4.5Å; L14-Q17 HydrophobicContact CD2-CB 4.01Å; L14-Q17 HydrophobicContact CD2-CG 3.72Å; Q17-Y111 PolarHBondContact N-OH 3.19Å; Q17-Y111 PolarHBondContact O-OH 3.06Å
18K98.2Very high97Very high48 Ų4870.5 Ų70.521%0.20935%0.35CS..EExtended strand (participates in β ladder)trans-102.2122.7173.3-168.174.4178.5-1660109.2F4 M5 L16 Y20 Y111 L114 D115F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.43Å; F4-K18 WeakPolarHBondContact CB-O 3.29Å; M5-K18 PolarHBondContact N-O 3.42Å; M5-K18 PolarHBondContact O-N 3.11Å; L16-K18 HydrophobicContact CD2-CB 4.23Å; K18-Y20 HydrophobicContact CG-CD1 4.33Å; K18-Y20 HydrophobicContact CG-CE1 3.72Å; K18-Y20 HydrophobicContact CG-CE2 4.09Å; K18-Y111 HydrophobicContact CD-CD1 4.28Å; K18-Y111 HydrophobicContact CD-CE1 4.34Å; K18-L114 HydrophobicContact CB-CD2 3.73Å; K18-L114 HydrophobicContact CG-CD2 4.06Å; K18-D115 WeakPolarHBondContact CE-OD1 3.11Å; K18-D115 IonicContact NZ-OD1 2.67Å; K18-D115 PolarHBondContact NZ-OD1 3.4Å; K18-D115 IonicContact NZ-OD2 3.33Å; K18-D115 PolarHBondContact NZ-OD2 2.81Å
19W98.2Very high97Very high33 Ų3377.4 Ų77.413%0.12538%0.38CS..EExtended strand (participates in β ladder)trans-109117.2177-63.289.2000108.6F4 L6 L21 R28 M31 V32F4-W19 HydrophobicContact CB-CD2 4.01Å; F4-W19 HydrophobicContact CB-CE3 3.63Å; F4-W19 HydrophobicContact CB-CZ3 3.97Å; F4-W19 AromaticContact CD1-CE3 3.76Å; F4-W19 HydrophobicContact CD1-CE3 3.76Å; F4-W19 HydrophobicContact CD1-CH2 4.06Å; F4-W19 AromaticContact CD1-CZ3 3.3Å; F4-W19 HydrophobicContact CD1-CZ3 3.3Å; F4-W19 HydrophobicContact CD2-CZ3 4.47Å; F4-W19 HydrophobicContact CE1-CH2 4.33Å; F4-W19 AromaticContact CE1-CZ3 3.84Å; F4-W19 HydrophobicContact CE1-CZ3 3.84Å; F4-W19 AromaticContact CG-CE3 3.88Å; F4-W19 HydrophobicContact CG-CE3 3.88Å; F4-W19 HydrophobicContact CG-CH2 4.18Å; F4-W19 AromaticContact CG-CZ3 3.67Å; F4-W19 HydrophobicContact CG-CZ3 3.67Å; L6-W19 HydrophobicContact CD2-CZ2 4.46Å; W19-L21 VanDerWaalsContact C-N 3.34Å; W19-R28 HydrophobicContact CD2-CB 4.48Å; W19-R28 HydrophobicContact CD2-CG 3.72Å; W19-R28 VanDerWaalsContact CE2-CG 3.47Å; W19-R28 HydrophobicContact CE3-CG 4.05Å; W19-R28 HydrophobicContact CG-CG 4.29Å; W19-R28 HydrophobicContact CH2-CB 4.06Å; W19-R28 HydrophobicContact CH2-CG 4.01Å; W19-R28 HydrophobicContact CZ2-CB 3.49Å; W19-R28 VanDerWaalsContact CZ2-CB 3.49Å; W19-R28 HydrophobicContact CZ2-CG 3.62Å; W19-R28 HydrophobicContact CZ3-CG 4.2Å; W19-M31 HydrophobicContact CE3-CE 4.49Å; W19-M31 HydrophobicContact CH2-CB 3.95Å; W19-M31 HydrophobicContact CH2-CE 3.72Å; W19-M31 HydrophobicContact CH2-SD 4.35Å; W19-M31 HydrophobicContact CZ3-CE 3.46Å; W19-M31 VanDerWaalsContact CZ3-CE 3.46Å; W19-M31 HydrophobicContact CZ3-SD 4.2Å; W19-V32 HydrophobicContact CH2-CG2 4.39Å; W19-V32 HydrophobicContact CZ2-CG2 3.74Å
20Y97.6Very high97Very high31 Ų3182.7 Ų82.712%0.12240%0.403CS..SBendtrans-89.3-5.8-179.8-64.1-68.4000112.9M2 R3 K18 L118 G121M2-Y20 HydrophobicContact CB-CD2 4.34Å; M2-Y20 HydrophobicContact CG-CD2 4.29Å; M2-Y20 HydrophobicContact CG-CE2 4.3Å; M2-Y20 WeakPolarHBondContact O-CB 3.45Å; M2-Y20 WeakPolarHBondContact O-CD2 3.32Å; M2-Y20 HydrophobicContact SD-CD2 4.43Å; M2-Y20 HydrophobicContact SD-CE2 3.86Å; R3-Y20 PolarHBondContact O-N 3.44Å; K18-Y20 HydrophobicContact CG-CD1 4.33Å; K18-Y20 HydrophobicContact CG-CE1 3.72Å; K18-Y20 HydrophobicContact CG-CE2 4.09Å; Y20-L118 WeakPolarHBondContact OH-CB 3.38Å; Y20-L118 WeakPolarHBondContact OH-CD1 3.45Å; Y20-G121 VanDerWaalsContact CG-CA 3.46Å
21L95.3Very high97.1Very high56 Ų5675.8 Ų75.829%0.29338%0.378SS..SBendtrans-124.4152.2173.5-66.4179.2000112.1M1 W19 T23M1-L21 HydrophobicContact CE-CD2 3.85Å; M1-L21 HydrophobicContact CE-CG 4.42Å; M1-L21 HydrophobicContact SD-CD2 4.41Å; W19-L21 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 2.78Å
22A95.9Very high97.2Very high104 Ų10468.6 Ų68.686%0.8635%0.346SS*.  trans-62121.6172.400000109.3
23T94.7Very high97.3Very high37 Ų3775.2 Ų75.223%0.22736%0.362CS..  trans-149.4141.3177.6-500000108.6L21 E27 R28 M31L21-T23 PolarHBondContact O-N 2.78Å; T23-E27 HydrophobicContact CG2-CB 3.66Å; T23-R28 HydrophobicContact CG2-CG 4.11Å; T23-R28 VanDerWaalsContact O-CZ 3.26Å; T23-R28 PolarHBondContact O-NE 3.34Å; T23-R28 VanDerWaalsContact O-NE 3.1Å; T23-M31 HydrophobicContact CG2-CE 3.44Å; T23-M31 VanDerWaalsContact CG2-CE 3.44Å
24S97.2Very high97.3Very high58 Ų5872.4 Ų72.441%0.40635%0.35SS..  trans-63.6143.8-179.769.20000111.2K26 E27 R28S24-K26 PolarHBondContact O-N 2.66Å; S24-K26 VanDerWaalsContact O-N 3.14Å; S24-E27 PolarHBondContact O-N 2.83Å; S24-E27 WeakPolarHBondContact OG-CB 3.43Å; S24-E27 WeakPolarHBondContact OG-CG 3.19Å; S24-E27 PolarHBondContact OG-N 3.23Å; S24-E27 PolarHBondContact OG-OE2 3.24Å; S24-E27 VanDerWaalsContact OG-OE2 3.12Å; S24-R28 WeakPolarHBondContact O-CG 3.49Å; S24-R28 PolarHBondContact O-N 2.83Å
25D96.9Very high97.3Very high104 Ų10469.7 Ų69.756%0.55634%0.336SS*.Hα-helixtrans-59.7-29.8178.8-72.3-34.9000112.9R28 K29D25-R28 PolarHBondContact O-N 2.96Å; D25-R28 IonicContact OD1-NH1 3.23Å; D25-R28 PolarHBondContact OD1-NH1 3.49Å; D25-K29 WeakPolarHBondContact O-CB 3.33Å; D25-K29 VanDerWaalsContact O-CG 3.29Å; D25-K29 WeakPolarHBondContact O-CG 3.22Å; D25-K29 PolarHBondContact O-N 3.05Å
26K97.6Very high97.3Very high182 Ų18267.4 Ų67.479%0.79133%0.328SS*.Hα-helixtrans-62.1-47.2173.2-176.6179.7177.5-178.40111.2S24 K30S24-K26 PolarHBondContact O-N 2.66Å; S24-K26 VanDerWaalsContact O-N 3.14Å; K26-K30 PolarHBondContact O-N 3.39Å; K26-K30 VanDerWaalsContact O-N 3.13Å
27E96.9Very high97.3Very high97 Ų9774 Ų7445%0.45336%0.359SS..Hα-helixtrans-68.5-41.9176-82.9179.8119.700112.3T23 S24 K29 K30 M31T23-E27 HydrophobicContact CG2-CB 3.66Å; S24-E27 PolarHBondContact O-N 2.83Å; S24-E27 WeakPolarHBondContact OG-CB 3.43Å; S24-E27 WeakPolarHBondContact OG-CG 3.19Å; S24-E27 PolarHBondContact OG-N 3.23Å; S24-E27 PolarHBondContact OG-OE2 3.24Å; S24-E27 VanDerWaalsContact OG-OE2 3.12Å; E27-K29 VanDerWaalsContact C-N 3.34Å; E27-K29 PolarHBondContact O-N 3.11Å; E27-K30 WeakPolarHBondContact O-CA 3.35Å; E27-K30 WeakPolarHBondContact O-CB 3.43Å; E27-K30 PolarHBondContact O-N 2.61Å; E27-M31 HydrophobicContact CB-CE 4.09Å; E27-M31 WeakPolarHBondContact O-CB 3.49Å; E27-M31 WeakPolarHBondContact O-CG 3.33Å; E27-M31 PolarHBondContact O-N 3.47Å
28R97.7Very high97.2Very high60 Ų6073.1 Ų73.123%0.22636%0.358CS..Hα-helixtrans-54.1-50.4175.4-68.2178.3173.2164.8-3.4111.2W19 T23 S24 D25 K30 M31 V32W19-R28 HydrophobicContact CD2-CB 4.48Å; W19-R28 HydrophobicContact CD2-CG 3.72Å; W19-R28 VanDerWaalsContact CE2-CG 3.47Å; W19-R28 HydrophobicContact CE3-CG 4.05Å; W19-R28 HydrophobicContact CG-CG 4.29Å; W19-R28 HydrophobicContact CH2-CB 4.06Å; W19-R28 HydrophobicContact CH2-CG 4.01Å; W19-R28 HydrophobicContact CZ2-CB 3.49Å; W19-R28 VanDerWaalsContact CZ2-CB 3.49Å; W19-R28 HydrophobicContact CZ2-CG 3.62Å; W19-R28 HydrophobicContact CZ3-CG 4.2Å; T23-R28 HydrophobicContact CG2-CG 4.11Å; T23-R28 VanDerWaalsContact O-CZ 3.26Å; T23-R28 PolarHBondContact O-NE 3.34Å; T23-R28 VanDerWaalsContact O-NE 3.1Å; S24-R28 WeakPolarHBondContact O-CG 3.49Å; S24-R28 PolarHBondContact O-N 2.83Å; D25-R28 PolarHBondContact O-N 2.96Å; D25-R28 IonicContact OD1-NH1 3.23Å; D25-R28 PolarHBondContact OD1-NH1 3.49Å; R28-K30 VanDerWaalsContact C-N 3.3Å; R28-K30 PolarHBondContact O-N 3.44Å; R28-M31 PolarHBondContact O-N 3.12Å; R28-V32 WeakPolarHBondContact O-CB 3.43Å; R28-V32 VanDerWaalsContact O-CG2 3.25Å; R28-V32 WeakPolarHBondContact O-CG2 3.29Å; R28-V32 PolarHBondContact O-N 3.46Å
29K97.2Very high97.2Very high145 Ų14570.9 Ų70.963%0.6335%0.349SS*.Hα-helixtrans-62.5-33.2176.4-72.1176.5-175.8178.80113.2D25 E27 R33D25-K29 WeakPolarHBondContact O-CB 3.33Å; D25-K29 VanDerWaalsContact O-CG 3.29Å; D25-K29 WeakPolarHBondContact O-CG 3.22Å; D25-K29 PolarHBondContact O-N 3.05Å; E27-K29 VanDerWaalsContact C-N 3.34Å; E27-K29 PolarHBondContact O-N 3.11Å; K29-R33 WeakPolarHBondContact O-CG 3.21Å; K29-R33 PolarHBondContact O-N 3.21Å; K29-R33 PolarHBondContact O-NE 2.89Å; K29-R33 VanDerWaalsContact O-NE 3.15Å
30K97.6Very high97.2Very high114 Ų11471.9 Ų71.950%0.49636%0.356SS..Hα-helixtrans-68.5-50.9174.8-176.2-176.1176.4-171.50110.4K26 E27 R28 R33 E34K26-K30 PolarHBondContact O-N 3.39Å; K26-K30 VanDerWaalsContact O-N 3.13Å; E27-K30 WeakPolarHBondContact O-CA 3.35Å; E27-K30 WeakPolarHBondContact O-CB 3.43Å; E27-K30 PolarHBondContact O-N 2.61Å; R28-K30 VanDerWaalsContact C-N 3.3Å; R28-K30 PolarHBondContact O-N 3.44Å; K30-R33 PolarHBondContact O-N 3.11Å; K30-E34 WeakPolarHBondContact O-CB 3.11Å; K30-E34 PolarHBondContact O-N 2.86Å
31M97.7Very high97.1Very high19 Ų1974.4 Ų74.49%0.09438%0.384CS..Hα-helixtrans-61.1-46.3-179.1-75.3-166.5-80.400112.5F4 W19 T23 E27 R28 R33 E34 L35 W52F4-M31 HydrophobicContact CE1-SD 4.42Å; W19-M31 HydrophobicContact CE3-CE 4.49Å; W19-M31 HydrophobicContact CH2-CB 3.95Å; W19-M31 HydrophobicContact CH2-CE 3.72Å; W19-M31 HydrophobicContact CH2-SD 4.35Å; W19-M31 HydrophobicContact CZ3-CE 3.46Å; W19-M31 VanDerWaalsContact CZ3-CE 3.46Å; W19-M31 HydrophobicContact CZ3-SD 4.2Å; T23-M31 HydrophobicContact CG2-CE 3.44Å; T23-M31 VanDerWaalsContact CG2-CE 3.44Å; E27-M31 HydrophobicContact CB-CE 4.09Å; E27-M31 WeakPolarHBondContact O-CB 3.49Å; E27-M31 WeakPolarHBondContact O-CG 3.33Å; E27-M31 PolarHBondContact O-N 3.47Å; R28-M31 PolarHBondContact O-N 3.12Å; M31-R33 PolarHBondContact O-N 3.46Å; M31-E34 PolarHBondContact O-N 2.76Å; M31-L35 VanDerWaalsContact O-CB 3.28Å; M31-L35 WeakPolarHBondContact O-CB 3.21Å; M31-L35 PolarHBondContact O-N 3.1Å; M31-W52 HydrophobicContact CB-CH2 3.83Å; M31-W52 HydrophobicContact CB-CZ2 4.36Å; M31-W52 HydrophobicContact CG-CH2 3.72Å; M31-W52 HydrophobicContact CG-CZ2 4.29Å; M31-W52 HydrophobicContact SD-CH2 3.96Å
32V98.1Very high97.2Very high13 Ų1374.8 Ų74.88%0.07938%0.381CS..Hα-helixtrans-58.1-50.7177.41690000110.8L6 L14 W19 R28 E34 M36L6-V32 HydrophobicContact CD1-CG2 4Å; L6-V32 HydrophobicContact CD2-CG2 3.89Å; L14-V32 HydrophobicContact CD1-CG1 4.01Å; L14-V32 HydrophobicContact CD2-CG1 4.17Å; W19-V32 HydrophobicContact CH2-CG2 4.39Å; W19-V32 HydrophobicContact CZ2-CG2 3.74Å; R28-V32 WeakPolarHBondContact O-CB 3.43Å; R28-V32 VanDerWaalsContact O-CG2 3.25Å; R28-V32 WeakPolarHBondContact O-CG2 3.29Å; R28-V32 PolarHBondContact O-N 3.46Å; V32-E34 PolarHBondContact O-N 2.78Å; V32-M36 HydrophobicContact CG1-CG 4.3Å; V32-M36 HydrophobicContact CG1-SD 3.39Å; V32-M36 WeakPolarHBondContact CG1-SD 3.34Å; V32-M36 WeakPolarHBondContact O-CB 3.36Å; V32-M36 WeakPolarHBondContact O-CG 3.33Å; V32-M36 PolarHBondContact O-N 3.01Å
33R97.4Very high97.2Very high168 Ų16877 Ų7763%0.63437%0.371SS*.Hα-helixtrans-61.7-46.8-179.3-73.9-174.6-65.3177.33112.1K29 K30 M31 Q37K29-R33 WeakPolarHBondContact O-CG 3.21Å; K29-R33 PolarHBondContact O-N 3.21Å; K29-R33 PolarHBondContact O-NE 2.89Å; K29-R33 VanDerWaalsContact O-NE 3.15Å; K30-R33 PolarHBondContact O-N 3.11Å; M31-R33 PolarHBondContact O-N 3.46Å; R33-Q37 WeakPolarHBondContact O-CB 3.26Å; R33-Q37 VanDerWaalsContact O-CG 3.25Å; R33-Q37 WeakPolarHBondContact O-CG 3.17Å; R33-Q37 PolarHBondContact O-N 3.25Å; R33-Q37 VanDerWaalsContact O-N 3.1Å
34E97.4Very high97.1Very high57 Ų5781.3 Ų81.327%0.26640%0.4SS..Hα-helixtrans-62.6-51.5-179.9-178-178.7141.600111.6K30 M31 V32 M36 Q37 V38 W52 R53K30-E34 WeakPolarHBondContact O-CB 3.11Å; K30-E34 PolarHBondContact O-N 2.86Å; M31-E34 PolarHBondContact O-N 2.76Å; V32-E34 PolarHBondContact O-N 2.78Å; E34-M36 PolarHBondContact O-N 2.9Å; E34-Q37 WeakPolarHBondContact O-CB 3.23Å; E34-Q37 PolarHBondContact O-N 3.28Å; E34-V38 WeakPolarHBondContact O-CG2 3.48Å; E34-V38 PolarHBondContact O-N 3.22Å; E34-W52 HydrophobicContact CG-CZ2 4.39Å; E34-W52 PolarHBondContact OE1-NE1 3.4Å; E34-R53 IonicContact OE1-CZ 2.9Å; E34-R53 IonicContact OE1-NE 2.76Å; E34-R53 PolarHBondContact OE1-NE 2.88Å; E34-R53 IonicContact OE1-NH2 3.26Å; E34-R53 PolarHBondContact OE1-NH2 3.3Å; E34-R53 IonicContact OE2-CZ 2.66Å; E34-R53 IonicContact OE2-NE 2.86Å; E34-R53 IonicContact OE2-NH2 2.97Å; E34-R53 PolarHBondContact OE2-NH2 3.22Å
35L97.9Very high96.9Very high0 Ų088.6 Ų88.60%043%0.425CS..Hα-helixtrans-67.8-39.8-176.3-173.958.3000112F4 L6 M31 Q37 V38 V39 W52 V57F4-L35 HydrophobicContact CE2-CD2 3.68Å; F4-L35 HydrophobicContact CZ-CD2 3.9Å; L6-L35 HydrophobicContact CD1-CD2 4.28Å; M31-L35 VanDerWaalsContact O-CB 3.28Å; M31-L35 WeakPolarHBondContact O-CB 3.21Å; M31-L35 PolarHBondContact O-N 3.1Å; L35-Q37 VanDerWaalsContact C-N 3.32Å; L35-Q37 PolarHBondContact O-N 3.08Å; L35-V38 PolarHBondContact O-N 3.35Å; L35-V39 HydrophobicContact CD1-CG2 4.19Å; L35-V39 HydrophobicContact CG-CG2 4.37Å; L35-V39 WeakPolarHBondContact O-CG2 3.28Å; L35-V39 PolarHBondContact O-N 2.88Å; L35-W52 HydrophobicContact CB-CH2 4.49Å; L35-W52 HydrophobicContact CB-CZ2 4.19Å; L35-W52 HydrophobicContact CD1-CD2 4Å; L35-W52 HydrophobicContact CD1-CE3 4.39Å; L35-W52 HydrophobicContact CD1-CG 4.1Å; L35-W52 HydrophobicContact CD2-CZ3 4.47Å; L35-V57 HydrophobicContact CD1-CB 4.45Å; L35-V57 HydrophobicContact CD1-CG1 4.1Å; L35-V57 HydrophobicContact CD1-CG2 3.87Å; L35-V57 HydrophobicContact CD2-CG1 4.28Å; L35-V57 HydrophobicContact CD2-CG2 4.21Å
36M97.7Very high96.9Very high14 Ų1487.8 Ų87.87%0.06942%0.418CS..Hα-helixtrans-60-43174.3-73.8175.660.300111.6F8 G12 L14 V32 E34 V39 L40F8-M36 HydrophobicContact CB-CE 3.5Å; F8-M36 HydrophobicContact CB-CG 4.32Å; F8-M36 HydrophobicContact CB-SD 3.97Å; F8-M36 HydrophobicContact CD1-CG 3.59Å; F8-M36 HydrophobicContact CD1-SD 4.16Å; F8-M36 HydrophobicContact CD2-CE 4.06Å; F8-M36 HydrophobicContact CD2-CG 3.98Å; F8-M36 HydrophobicContact CE1-CG 3.77Å; F8-M36 HydrophobicContact CE2-CB 4.46Å; F8-M36 HydrophobicContact CE2-CG 4.15Å; F8-M36 HydrophobicContact CG-CE 3.8Å; F8-M36 HydrophobicContact CG-CG 3.7Å; F8-M36 HydrophobicContact CG-SD 4.02Å; F8-M36 HydrophobicContact CZ-CG 4.05Å; G12-M36 WeakPolarHBondContact O-CE 3.48Å; L14-M36 HydrophobicContact CD1-SD 4.22Å; V32-M36 HydrophobicContact CG1-CG 4.3Å; V32-M36 HydrophobicContact CG1-SD 3.39Å; V32-M36 WeakPolarHBondContact CG1-SD 3.34Å; V32-M36 WeakPolarHBondContact O-CB 3.36Å; V32-M36 WeakPolarHBondContact O-CG 3.33Å; V32-M36 PolarHBondContact O-N 3.01Å; E34-M36 PolarHBondContact O-N 2.9Å; M36-V39 PolarHBondContact O-N 2.84Å; M36-L40 VanDerWaalsContact O-CB 3.23Å; M36-L40 WeakPolarHBondContact O-CB 3.43Å; M36-L40 WeakPolarHBondContact O-CG 3.42Å; M36-L40 PolarHBondContact O-N 3.47Å
37Q97.1Very high96.8Very high141 Ų14182.4 Ų82.466%0.65940%0.403SS*.Hα-helixtrans-61.3-45.2175.8-76.5174.6-13.200111.6R33 E34 L35 A41R33-Q37 WeakPolarHBondContact O-CB 3.26Å; R33-Q37 VanDerWaalsContact O-CG 3.25Å; R33-Q37 WeakPolarHBondContact O-CG 3.17Å; R33-Q37 PolarHBondContact O-N 3.25Å; R33-Q37 VanDerWaalsContact O-N 3.1Å; E34-Q37 WeakPolarHBondContact O-CB 3.23Å; E34-Q37 PolarHBondContact O-N 3.28Å; L35-Q37 VanDerWaalsContact C-N 3.32Å; L35-Q37 PolarHBondContact O-N 3.08Å; Q37-A41 VanDerWaalsContact O-CB 3.26Å; Q37-A41 WeakPolarHBondContact O-CB 3.17Å; Q37-A41 PolarHBondContact O-N 3.5Å
38V97.5Very high96.9Very high55 Ų5579.4 Ų79.433%0.33339%0.393SS..Hα-helixtrans-60.7-49.5177.8173.10000111E34 L35 A41 R42 L50E34-V38 WeakPolarHBondContact O-CG2 3.48Å; E34-V38 PolarHBondContact O-N 3.22Å; L35-V38 PolarHBondContact O-N 3.35Å; V38-A41 PolarHBondContact O-N 3.36Å; V38-R42 WeakPolarHBondContact O-CG 3.31Å; V38-L50 HydrophobicContact CG1-CD1 3.47Å; V38-L50 VanDerWaalsContact CG1-CD1 3.47Å
39V97.8Very high96.9Very high1 Ų179.2 Ų79.21%0.00639%0.394CS..Hα-helixtrans-67.3-42.6-177.9173.50000111.7F8 L35 M36 A41 R42 L50 Y59 Y66F8-V39 HydrophobicContact CE2-CB 4.35Å; F8-V39 HydrophobicContact CE2-CG1 4.12Å; F8-V39 HydrophobicContact CZ-CB 3.93Å; F8-V39 HydrophobicContact CZ-CG1 3.85Å; F8-V39 HydrophobicContact CZ-CG2 4.39Å; L35-V39 HydrophobicContact CD1-CG2 4.19Å; L35-V39 HydrophobicContact CG-CG2 4.37Å; L35-V39 WeakPolarHBondContact O-CG2 3.28Å; L35-V39 PolarHBondContact O-N 2.88Å; M36-V39 PolarHBondContact O-N 2.84Å; V39-A41 VanDerWaalsContact C-N 3.3Å; V39-A41 PolarHBondContact O-N 2.93Å; V39-R42 WeakPolarHBondContact O-CB 3.15Å; V39-R42 PolarHBondContact O-N 3.13Å; V39-L50 HydrophobicContact CG2-CD2 4.46Å; V39-Y59 HydrophobicContact CG1-CD1 4.45Å; V39-Y59 HydrophobicContact CG1-CD2 3.62Å; V39-Y59 HydrophobicContact CG1-CE2 4.04Å; V39-Y59 HydrophobicContact CG1-CG 3.86Å; V39-Y59 HydrophobicContact CG2-CD1 4.4Å; V39-Y59 HydrophobicContact CG2-CG 4.37Å; V39-Y66 HydrophobicContact CG1-CD1 3.56Å; V39-Y66 HydrophobicContact CG1-CE1 3.9Å; V39-Y66 HydrophobicContact CG1-CG 4.46Å
40L97.2Very high96.9Very high53 Ų5373.4 Ų73.428%0.27737%0.37SS..Hα-helixtrans-70.2-24.7-179.5-68.7173.1000113.2F8 M36 R42 Y66F8-L40 HydrophobicContact CD2-CD2 4.35Å; F8-L40 HydrophobicContact CD2-CG 4.43Å; F8-L40 HydrophobicContact CE2-CD2 4.13Å; F8-L40 HydrophobicContact CE2-CG 4.08Å; M36-L40 VanDerWaalsContact O-CB 3.23Å; M36-L40 WeakPolarHBondContact O-CB 3.43Å; M36-L40 WeakPolarHBondContact O-CG 3.42Å; M36-L40 PolarHBondContact O-N 3.47Å; L40-R42 VanDerWaalsContact C-N 3.28Å; L40-R42 PolarHBondContact O-N 3.09Å; L40-Y66 HydrophobicContact CD2-CD2 4.01Å; L40-Y66 HydrophobicContact CD2-CE2 3.7Å
41A97.2Very high96.8Very high85 Ų8576.4 Ų76.470%0.70239%0.385SS*.THydrogen-bonded Turntrans-75.4-13.617500000113.7Q37 V38 V39Q37-A41 VanDerWaalsContact O-CB 3.26Å; Q37-A41 WeakPolarHBondContact O-CB 3.17Å; Q37-A41 PolarHBondContact O-N 3.5Å; V38-A41 PolarHBondContact O-N 3.36Å; V39-A41 VanDerWaalsContact C-N 3.3Å; V39-A41 PolarHBondContact O-N 2.93Å
42R97.2Very high96.8Very high63 Ų6376.5 Ų76.524%0.23839%0.385CS..SBendtrans-77.8142-176.8-6817273.286.4-7.9112.3V38 V39 L40 M46 C47 F49 Y59V38-R42 WeakPolarHBondContact O-CG 3.31Å; V39-R42 WeakPolarHBondContact O-CB 3.15Å; V39-R42 PolarHBondContact O-N 3.13Å; L40-R42 VanDerWaalsContact C-N 3.28Å; L40-R42 PolarHBondContact O-N 3.09Å; R42-M46 HydrophobicContact CB-CB 4.48Å; R42-M46 HydrophobicContact CB-SD 3.75Å; R42-M46 HydrophobicContact CG-SD 3.95Å; R42-C47 PolarHBondContact NH2-O 3.03Å; R42-F49 PolarHBondContact NH2-O 3.46Å; R42-Y59 WeakPolarHBondContact CD-OH 3.4Å; R42-Y59 PolarHBondContact NE-OH 3.23Å
43K95.4Very high96.7Very high150 Ų15080.2 Ų80.265%0.65240%0.397SS*.  trans-72.9150176.7-61.8179.7-177.5176.50110.6K45 M46K43-K45 PolarHBondContact O-N 2.91Å; K43-M46 HydrophobicContact CB-CE 4.38Å; K43-M46 HydrophobicContact CB-CG 4.16Å; K43-M46 HydrophobicContact CB-SD 4.33Å; K43-M46 HydrophobicContact CD-CE 4.43Å; K43-M46 HydrophobicContact CG-CE 4.29Å; K43-M46 PolarHBondContact N-SD 3.34Å; K43-M46 VanDerWaalsContact N-SD 3.42Å; K43-M46 WeakPolarHBondContact O-CB 3.25Å; K43-M46 PolarHBondContact O-N 3.15Å
44P91.7Very high96.5Very high129 Ų12980.2 Ų80.284%0.83841%0.41SS*.THydrogen-bonded Turntrans-57.3-24.4-175.1-28.735.7000116.8
45K92.9Very high96.5Very high211 Ų21179 Ų7992%0.91741%0.405SS*.THydrogen-bonded Turntrans-93.62179.8-64.1-172.8176.9-175.20113.9K43K43-K45 PolarHBondContact O-N 2.91Å
46M96.8Very high96.5Very high86 Ų8681.2 Ų81.242%0.42442%0.415SS..SBendtrans-71.5157176.7-72.2-176.4165.200111R42 K43R42-M46 HydrophobicContact CB-CB 4.48Å; R42-M46 HydrophobicContact CB-SD 3.75Å; R42-M46 HydrophobicContact CG-SD 3.95Å; K43-M46 HydrophobicContact CB-CE 4.38Å; K43-M46 HydrophobicContact CB-CG 4.16Å; K43-M46 HydrophobicContact CB-SD 4.33Å; K43-M46 HydrophobicContact CD-CE 4.43Å; K43-M46 HydrophobicContact CG-CE 4.29Å; K43-M46 PolarHBondContact N-SD 3.34Å; K43-M46 VanDerWaalsContact N-SD 3.42Å; K43-M46 WeakPolarHBondContact O-CB 3.25Å; K43-M46 PolarHBondContact O-N 3.15Å
47C97Very high96.6Very high70 Ų7080.6 Ų80.647%0.47341%0.412SS..  trans-54139.3176.5-171.70000111.3R42 F49 Y59R42-C47 PolarHBondContact NH2-O 3.03Å; C47-F49 PolarHBondContact O-N 2.98Å; C47-F49 VanDerWaalsContact O-N 3.16Å; C47-F49 WeakPolarHBondContact SG-CD2 3.5Å; C47-F49 PolarHBondContact SG-N 2.82Å; C47-F49 VanDerWaalsContact SG-N 3.42Å; C47-Y59 WeakPolarHBondContact O-CE1 3.17Å; C47-Y59 PolarHBondContact O-OH 3.45Å; C47-Y59 VanDerWaalsContact O-OH 3.14Å
48S97.6Very high96.6Very high34 Ų3473.9 Ų73.924%0.23838%0.38CS..SBendtrans-67.4-4.8173.7-57.30000113.4Y59S48-Y59 WeakPolarHBondContact CB-O 3.46Å; S48-Y59 VanDerWaalsContact O-CD1 3.29Å; S48-Y59 WeakPolarHBondContact O-CD1 3.48Å; S48-Y59 PolarHBondContact O-N 3.13Å
49F98Very high96.7Very high56 Ų5672.2 Ų72.225%0.24637%0.368CS..EExtended strand (participates in β ladder)trans-118.3142.8-178.8-37.2-51.3000109.8R42 C47 V57 V58 E77 L78 L81R42-F49 PolarHBondContact NH2-O 3.46Å; C47-F49 PolarHBondContact O-N 2.98Å; C47-F49 VanDerWaalsContact O-N 3.16Å; C47-F49 WeakPolarHBondContact SG-CD2 3.5Å; C47-F49 PolarHBondContact SG-N 2.82Å; C47-F49 VanDerWaalsContact SG-N 3.42Å; F49-V57 CarbonylContact C-O 3.6Å; F49-V57 VanDerWaalsContact CA-O 3.29Å; F49-V57 WeakPolarHBondContact CA-O 3.41Å; F49-V58 HydrophobicContact CD1-CB 4.32Å; F49-V58 HydrophobicContact CD1-CG1 4Å; F49-V58 HydrophobicContact CD1-CG2 3.93Å; F49-V58 HydrophobicContact CE1-CG1 3.94Å; F49-V58 HydrophobicContact CE1-CG2 4.42Å; F49-E77 HydrophobicContact CB-CG 4.47Å; F49-E77 HydrophobicContact CD1-CB 3.73Å; F49-E77 HydrophobicContact CD1-CG 4.29Å; F49-E77 HydrophobicContact CD2-CB 4.25Å; F49-E77 HydrophobicContact CE1-CB 3.82Å; F49-E77 HydrophobicContact CE2-CB 4.35Å; F49-E77 HydrophobicContact CG-CB 3.97Å; F49-E77 HydrophobicContact CG-CG 4.2Å; F49-E77 HydrophobicContact CZ-CB 4.16Å; F49-L78 HydrophobicContact CE2-CD2 4.14Å; F49-L78 HydrophobicContact CZ-CD2 3.76Å; F49-L81 HydrophobicContact CE1-CB 4.39Å; F49-L81 HydrophobicContact CE1-CD1 4.5Å; F49-L81 HydrophobicContact CE1-CD2 4.21Å; F49-L81 HydrophobicContact CZ-CD2 4.15Å
50L97.2Very high96.7Very high23 Ų2375.7 Ų75.712%0.1238%0.383CS..EExtended strand (participates in β ladder)trans-147.8155.9168.366.9140.3000111V38 V39 W52 V57 Y59V38-L50 HydrophobicContact CG1-CD1 3.47Å; V38-L50 VanDerWaalsContact CG1-CD1 3.47Å; V39-L50 HydrophobicContact CG2-CD2 4.46Å; L50-W52 HydrophobicContact CD1-CB 4.38Å; L50-V57 HydrophobicContact CD2-CB 3.99Å; L50-V57 HydrophobicContact CD2-CG1 4.01Å; L50-V57 HydrophobicContact CG-CB 3.99Å; L50-V57 PolarHBondContact N-O 2.92Å; L50-V57 PolarHBondContact O-N 3.31Å; L50-Y59 HydrophobicContact CD2-CD1 3.61Å; L50-Y59 HydrophobicContact CD2-CE1 3.65Å
51E97.1Very high96.7Very high176 Ų17677.7 Ų77.782%0.82239%0.387SS*.EExtended strand (participates in β ladder)trans-87.5135.3170.7-64.6179.8171.300110
52W97.5Very high96.7Very high22 Ų2276.3 Ų76.38%0.08336%0.364CS..EExtended strand (participates in β ladder)trans-155.1120.4179.5176.377.4000110.3F4 M31 E34 L35 L50 D54 L55 V57F4-W52 HydrophobicContact CE1-CZ3 4.05Å; F4-W52 HydrophobicContact CZ-CH2 4.14Å; F4-W52 AromaticContact CZ-CZ3 3.65Å; F4-W52 HydrophobicContact CZ-CZ3 3.65Å; M31-W52 HydrophobicContact CB-CH2 3.83Å; M31-W52 HydrophobicContact CB-CZ2 4.36Å; M31-W52 HydrophobicContact CG-CH2 3.72Å; M31-W52 HydrophobicContact CG-CZ2 4.29Å; M31-W52 HydrophobicContact SD-CH2 3.96Å; E34-W52 HydrophobicContact CG-CZ2 4.39Å; E34-W52 PolarHBondContact OE1-NE1 3.4Å; L35-W52 HydrophobicContact CB-CH2 4.49Å; L35-W52 HydrophobicContact CB-CZ2 4.19Å; L35-W52 HydrophobicContact CD1-CD2 4Å; L35-W52 HydrophobicContact CD1-CE3 4.39Å; L35-W52 HydrophobicContact CD1-CG 4.1Å; L35-W52 HydrophobicContact CD2-CZ3 4.47Å; L50-W52 HydrophobicContact CD1-CB 4.38Å; W52-D54 PolarHBondContact O-N 3.1Å; W52-L55 PolarHBondContact N-O 2.93Å; W52-L55 WeakPolarHBondContact O-CA 3.1Å; W52-L55 WeakPolarHBondContact O-CB 3.19Å; W52-L55 PolarHBondContact O-N 3.32Å; W52-V57 HydrophobicContact CB-CG2 3.87Å; W52-V57 HydrophobicContact CE3-CG2 4.11Å; W52-V57 HydrophobicContact CG-CG2 4.48Å
53R94.4Very high96.5Very high91 Ų9177.5 Ų77.534%0.34339%0.387SS..THydrogen-bonded Turntrans50.251.4178.1-61.2-175.6173.9-150.6-12.4114.1E34 L55E34-R53 IonicContact OE1-CZ 2.9Å; E34-R53 IonicContact OE1-NE 2.76Å; E34-R53 PolarHBondContact OE1-NE 2.88Å; E34-R53 IonicContact OE1-NH2 3.26Å; E34-R53 PolarHBondContact OE1-NH2 3.3Å; E34-R53 IonicContact OE2-CZ 2.66Å; E34-R53 IonicContact OE2-NE 2.86Å; E34-R53 IonicContact OE2-NH2 2.97Å; E34-R53 PolarHBondContact OE2-NH2 3.22Å; R53-L55 PolarHBondContact O-N 3.49Å
54D94.7Very high96.4Very high168 Ų16872.5 Ų72.590%0.89837%0.371SS*.THydrogen-bonded Turntrans6112.7-178.6-48.1-61.7000114.4W52W52-D54 PolarHBondContact O-N 3.1Å
55L97.2Very high96.7Very high30 Ų3066.7 Ų66.716%0.15733%0.333CS..EExtended strand (participates in β ladder)trans-113.6156.6173.1-60.4174.1000110R3 W52 R53 A70R3-L55 HydrophobicContact CB-CD1 4.38Å; R3-L55 HydrophobicContact CG-CD1 3.99Å; R3-L55 HydrophobicContact CG-CD2 3.9Å; W52-L55 PolarHBondContact N-O 2.93Å; W52-L55 WeakPolarHBondContact O-CA 3.1Å; W52-L55 WeakPolarHBondContact O-CB 3.19Å; W52-L55 PolarHBondContact O-N 3.32Å; R53-L55 PolarHBondContact O-N 3.49Å; L55-A70 HydrophobicContact CD1-CB 4.16Å
56K98.1Very high96.9Very high48 Ų4857.7 Ų57.721%0.20929%0.294CS..EExtended strand (participates in β ladder)trans-93.3130.4166.7-66.5168.7170.2-169.30107.9I71 G73 E77K56-I71 HydrophobicContact CB-CD1 4.32Å; K56-I71 HydrophobicContact CB-CG1 3.75Å; K56-I71 PolarHBondContact N-O 2.8Å; K56-I71 WeakPolarHBondContact O-CG1 3.28Å; K56-I71 PolarHBondContact O-N 3.22Å; K56-G73 WeakPolarHBondContact CE-O 3.39Å; K56-G73 PolarHBondContact NZ-O 3.44Å; K56-E77 HydrophobicContact CD-CG 4.17Å; K56-E77 WeakPolarHBondContact CD-OE1 3.48Å; K56-E77 WeakPolarHBondContact CE-OE1 3.48Å; K56-E77 IonicContact NZ-OE1 2.73Å; K56-E77 PolarHBondContact NZ-OE1 3.05Å; K56-E77 IonicContact NZ-OE2 3.57Å
57V98.5Very high97Very high1 Ų153.9 Ų53.91%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-106.7124.9173.9176.30000108.9L35 F49 L50 W52 C68 C69 A70L35-V57 HydrophobicContact CD1-CB 4.45Å; L35-V57 HydrophobicContact CD1-CG1 4.1Å; L35-V57 HydrophobicContact CD1-CG2 3.87Å; L35-V57 HydrophobicContact CD2-CG1 4.28Å; L35-V57 HydrophobicContact CD2-CG2 4.21Å; F49-V57 CarbonylContact C-O 3.6Å; F49-V57 VanDerWaalsContact CA-O 3.29Å; F49-V57 WeakPolarHBondContact CA-O 3.41Å; L50-V57 HydrophobicContact CD2-CB 3.99Å; L50-V57 HydrophobicContact CD2-CG1 4.01Å; L50-V57 HydrophobicContact CG-CB 3.99Å; L50-V57 PolarHBondContact N-O 2.92Å; L50-V57 PolarHBondContact O-N 3.31Å; W52-V57 HydrophobicContact CB-CG2 3.87Å; W52-V57 HydrophobicContact CE3-CG2 4.11Å; W52-V57 HydrophobicContact CG-CG2 4.48Å; V57-C68 WeakPolarHBondContact CG1-SG 3.49Å; V57-C69 WeakPolarHBondContact CA-O 3.39Å; V57-A70 HydrophobicContact CG2-CB 4.49Å
58V98.7Very high97.1Very high0 Ų050.5 Ų50.50%025%0.252CS..EExtended strand (participates in β ladder)trans-108.1122174.4179.50000107.6F49 C68 C69 I71 E77 T80 L81 I84F49-V58 HydrophobicContact CD1-CB 4.32Å; F49-V58 HydrophobicContact CD1-CG1 4Å; F49-V58 HydrophobicContact CD1-CG2 3.93Å; F49-V58 HydrophobicContact CE1-CG1 3.94Å; F49-V58 HydrophobicContact CE1-CG2 4.42Å; V58-C68 CarbonylContact O-C 3.58Å; V58-C68 WeakPolarHBondContact O-CA 3.49Å; V58-C69 PolarHBondContact N-O 3.05Å; V58-C69 PolarHBondContact O-N 2.71Å; V58-I71 HydrophobicContact CG2-CD1 3.77Å; V58-I71 HydrophobicContact CG2-CG1 4.46Å; V58-E77 HydrophobicContact CG2-CB 4.01Å; V58-E77 HydrophobicContact CG2-CG 4.23Å; V58-T80 HydrophobicContact CB-CG2 3.86Å; V58-T80 HydrophobicContact CG1-CG2 4.1Å; V58-T80 HydrophobicContact CG2-CG2 3.95Å; V58-L81 HydrophobicContact CG1-CB 4.1Å; V58-L81 HydrophobicContact CG1-CD1 3.86Å; V58-I84 HydrophobicContact CG1-CD1 4.06Å
59Y98.4Very high97.1Very high19 Ų1948.9 Ų48.98%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-132.7145.3177.576.9-83.3000112.2V39 R42 C47 S48 L50 Y66 F67V39-Y59 HydrophobicContact CG1-CD1 4.45Å; V39-Y59 HydrophobicContact CG1-CD2 3.62Å; V39-Y59 HydrophobicContact CG1-CE2 4.04Å; V39-Y59 HydrophobicContact CG1-CG 3.86Å; V39-Y59 HydrophobicContact CG2-CD1 4.4Å; V39-Y59 HydrophobicContact CG2-CG 4.37Å; R42-Y59 WeakPolarHBondContact CD-OH 3.4Å; R42-Y59 PolarHBondContact NE-OH 3.23Å; C47-Y59 WeakPolarHBondContact O-CE1 3.17Å; C47-Y59 PolarHBondContact O-OH 3.45Å; C47-Y59 VanDerWaalsContact O-OH 3.14Å; S48-Y59 WeakPolarHBondContact CB-O 3.46Å; S48-Y59 VanDerWaalsContact O-CD1 3.29Å; S48-Y59 WeakPolarHBondContact O-CD1 3.48Å; S48-Y59 PolarHBondContact O-N 3.13Å; L50-Y59 HydrophobicContact CD2-CD1 3.61Å; L50-Y59 HydrophobicContact CD2-CE1 3.65Å; Y59-Y66 HydrophobicContact CD2-CD1 4.15Å; Y59-Y66 HydrophobicContact CD2-CE1 4.42Å; Y59-Y66 HydrophobicContact CE2-CE1 4.48Å; Y59-F67 CarbonylContact C-O 3.49Å; Y59-F67 WeakPolarHBondContact CA-O 3.44Å; Y59-F67 WeakPolarHBondContact CB-O 3.41Å
60K98Very high97.1Very high74 Ų7446.2 Ų46.232%0.32223%0.229SC..EExtended strand (participates in β ladder)trans-138.7136173.6-170.168173.2740109.9Y62 F67 L81 I84K60-Y62 HydrophobicContact CB-CD2 4.44Å; K60-Y62 HydrophobicContact CB-CE2 3.84Å; K60-Y62 HydrophobicContact CG-CD2 4.04Å; K60-Y62 HydrophobicContact CG-CE2 3.38Å; K60-F67 PolarHBondContact N-O 2.9Å; K60-F67 PolarHBondContact O-N 3.17Å; K60-L81 HydrophobicContact CB-CD1 3.9Å; K60-L81 HydrophobicContact CD-CD1 4.28Å; K60-L81 HydrophobicContact CG-CD1 4.39Å; K60-I84 HydrophobicContact CB-CG2 4.25Å
61R97.2Very high97.2Very high95 Ų9545.2 Ų45.236%0.35822%0.224SC..EExtended strand (participates in β ladder)trans-92.9132172.8-172.9-176.4168.4-160.5-10.9110.5A63 L65 Y66R61-A63 PolarHBondContact NE-O 2.89Å; R61-A63 PolarHBondContact NH2-O 3.45Å; R61-L65 WeakPolarHBondContact CA-O 3.36Å; R61-L65 WeakPolarHBondContact CG-O 3.47Å; R61-Y66 HydrophobicContact CB-CD1 4.22Å; R61-Y66 HydrophobicContact CB-CE1 4.12Å; R61-Y66 HydrophobicContact CG-CD2 4.31Å; R61-Y66 HydrophobicContact CG-CE1 4.35Å; R61-Y66 HydrophobicContact CG-CE2 4.06Å
62Y96.5Very high97.2Very high56 Ų5638.5 Ų38.522%0.2219%0.192CC..EExtended strand (participates in β ladder)trans-125.6115.6169.1-67.6-90000108K60 S64 L65 F67 I84 H85 V88K60-Y62 HydrophobicContact CB-CD2 4.44Å; K60-Y62 HydrophobicContact CB-CE2 3.84Å; K60-Y62 HydrophobicContact CG-CD2 4.04Å; K60-Y62 HydrophobicContact CG-CE2 3.38Å; Y62-S64 PolarHBondContact O-N 3.38Å; Y62-S64 VanDerWaalsContact O-N 3.13Å; Y62-L65 PolarHBondContact N-O 3.02Å; Y62-L65 PolarHBondContact O-N 3.31Å; Y62-L65 VanDerWaalsContact O-O 3.1Å; Y62-F67 AromaticContact CD2-CD2 3.78Å; Y62-F67 HydrophobicContact CD2-CD2 3.78Å; Y62-F67 HydrophobicContact CD2-CE2 4.1Å; Y62-I84 HydrophobicContact CE2-CG2 3.97Å; Y62-H85 AromaticContact CE1-ND1 3.79Å; Y62-H85 AromaticContact CZ-ND1 3.69Å; Y62-H85 WeakPolarHBondContact OH-CB 3.32Å; Y62-H85 PolarHBondContact OH-ND1 2.78Å; Y62-V88 HydrophobicContact CD1-CG1 4.15Å; Y62-V88 HydrophobicContact CD2-CG2 3.84Å; Y62-V88 HydrophobicContact CE1-CG1 4.31Å; Y62-V88 HydrophobicContact CE2-CG2 3.82Å; Y62-V88 HydrophobicContact CG-CG1 4.38Å; Y62-V88 HydrophobicContact CG-CG2 4.24Å
63A94.3Very high97.1Very high88 Ų8839.7 Ų39.773%0.72721%0.211SC*.THydrogen-bonded Turntrans50.1-114-173.300000113.7R61R61-A63 PolarHBondContact NE-O 2.89Å; R61-A63 PolarHBondContact NH2-O 3.45Å
64S93Very high97.2Very high45 Ų4543.1 Ų43.132%0.31523%0.231SC..THydrogen-bonded Turntrans-91.6-9.417855.40000114S9 R10 Y62 E100S9-S64 CarbonylContact C-O 3.58Å; S9-S64 WeakPolarHBondContact CA-O 3.35Å; R10-S64 PolarHBondContact N-O 3.2Å; Y62-S64 PolarHBondContact O-N 3.38Å; Y62-S64 VanDerWaalsContact O-N 3.13Å; S64-E100 VanDerWaalsContact CB-OE2 3.29Å; S64-E100 WeakPolarHBondContact CB-OE2 3.46Å; S64-E100 PolarHBondContact OG-OE2 3.24Å
65L96.9Very high97.3Very high8 Ų837 Ų374%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-100.4141-176.1-73.7176.2000112.8R15 R61 Y62 F67 E100 I103R15-L65 HydrophobicContact CG-CD2 3.77Å; R61-L65 WeakPolarHBondContact CA-O 3.36Å; R61-L65 WeakPolarHBondContact CG-O 3.47Å; Y62-L65 PolarHBondContact N-O 3.02Å; Y62-L65 PolarHBondContact O-N 3.31Å; Y62-L65 VanDerWaalsContact O-O 3.1Å; L65-F67 HydrophobicContact CB-CD2 4.43Å; L65-F67 HydrophobicContact CB-CE2 3.89Å; L65-F67 HydrophobicContact CD1-CE2 4.47Å; L65-E100 HydrophobicContact CD1-CB 3.9Å; L65-E100 HydrophobicContact CD1-CG 4.19Å; L65-E100 HydrophobicContact CD2-CB 4.32Å; L65-E100 HydrophobicContact CD2-CG 3.82Å; L65-E100 HydrophobicContact CG-CB 3.92Å; L65-E100 HydrophobicContact CG-CG 4Å; L65-I103 HydrophobicContact CD1-CD1 3.57Å
66Y98.2Very high97.3Very high22 Ų2239.1 Ų39.19%0.08621%0.21CC..EExtended strand (participates in β ladder)trans-105129.1167.8-73.8-104000108.5L7 F8 R10 V39 L40 Y59 R61L7-Y66 VanDerWaalsContact CA-O 3.28Å; L7-Y66 WeakPolarHBondContact CA-O 3.19Å; F8-Y66 HydrophobicContact CD2-CD2 4.43Å; F8-Y66 HydrophobicContact CD2-CG 4.25Å; F8-Y66 VanDerWaalsContact CE2-CB 3.44Å; F8-Y66 HydrophobicContact CE2-CD1 4.3Å; F8-Y66 HydrophobicContact CE2-CD2 4.28Å; F8-Y66 AromaticContact CE2-CG 3.78Å; F8-Y66 HydrophobicContact CE2-CG 3.78Å; F8-Y66 HydrophobicContact CZ-CG 4.41Å; F8-Y66 PolarHBondContact N-O 3.27Å; F8-Y66 WeakPolarHBondContact O-CB 3.25Å; F8-Y66 PolarHBondContact O-N 2.91Å; R10-Y66 HydrophobicContact CB-CE2 4.34Å; V39-Y66 HydrophobicContact CG1-CD1 3.56Å; V39-Y66 HydrophobicContact CG1-CE1 3.9Å; V39-Y66 HydrophobicContact CG1-CG 4.46Å; L40-Y66 HydrophobicContact CD2-CD2 4.01Å; L40-Y66 HydrophobicContact CD2-CE2 3.7Å; Y59-Y66 HydrophobicContact CD2-CD1 4.15Å; Y59-Y66 HydrophobicContact CD2-CE1 4.42Å; Y59-Y66 HydrophobicContact CE2-CE1 4.48Å; R61-Y66 HydrophobicContact CB-CD1 4.22Å; R61-Y66 HydrophobicContact CB-CE1 4.12Å; R61-Y66 HydrophobicContact CG-CD2 4.31Å; R61-Y66 HydrophobicContact CG-CE1 4.35Å; R61-Y66 HydrophobicContact CG-CE2 4.06Å
67F98.5Very high97.3Very high5 Ų539.3 Ų39.32%0.02221%0.212CC..EExtended strand (participates in β ladder)trans-105.1129.1169.6-68.6-108.4000107M5 L7 Y59 K60 Y62 L65 I84 Y87 V88 L91M5-F67 HydrophobicContact CE-CD1 3.83Å; L7-F67 HydrophobicContact CD1-CD1 3.9Å; L7-F67 HydrophobicContact CD1-CE1 4.24Å; L7-F67 HydrophobicContact CD2-CD1 4.05Å; L7-F67 HydrophobicContact CD2-CE1 3.55Å; L7-F67 HydrophobicContact CD2-CZ 4.01Å; L7-F67 HydrophobicContact CG-CD1 3.71Å; L7-F67 HydrophobicContact CG-CE1 3.74Å; L7-F67 HydrophobicContact CG-CG 4.26Å; L7-F67 HydrophobicContact CG-CZ 4.3Å; Y59-F67 CarbonylContact C-O 3.49Å; Y59-F67 WeakPolarHBondContact CA-O 3.44Å; Y59-F67 WeakPolarHBondContact CB-O 3.41Å; K60-F67 PolarHBondContact N-O 2.9Å; K60-F67 PolarHBondContact O-N 3.17Å; Y62-F67 AromaticContact CD2-CD2 3.78Å; Y62-F67 HydrophobicContact CD2-CD2 3.78Å; Y62-F67 HydrophobicContact CD2-CE2 4.1Å; L65-F67 HydrophobicContact CB-CD2 4.43Å; L65-F67 HydrophobicContact CB-CE2 3.89Å; L65-F67 HydrophobicContact CD1-CE2 4.47Å; F67-I84 HydrophobicContact CB-CG2 3.47Å; F67-I84 VanDerWaalsContact CB-CG2 3.47Å; F67-I84 HydrophobicContact CD1-CG2 4.3Å; F67-I84 HydrophobicContact CG-CG2 4Å; F67-Y87 HydrophobicContact CD1-CD1 4.15Å; F67-Y87 HydrophobicContact CD1-CE1 4.49Å; F67-Y87 AromaticContact CE1-CD1 3.85Å; F67-Y87 HydrophobicContact CE1-CD1 3.85Å; F67-Y87 AromaticContact CE1-CE1 3.99Å; F67-Y87 HydrophobicContact CE1-CE1 3.99Å; F67-V88 HydrophobicContact CD1-CG2 4.14Å; F67-V88 HydrophobicContact CD2-CG2 4.3Å; F67-V88 HydrophobicContact CE1-CG2 3.73Å; F67-V88 HydrophobicContact CE2-CG2 3.92Å; F67-V88 HydrophobicContact CG-CG2 4.42Å; F67-V88 HydrophobicContact CZ-CG2 3.63Å; F67-L91 HydrophobicContact CE1-CD1 4.08Å; F67-L91 HydrophobicContact CZ-CD1 4.25Å
68C98.4Very high97.3Very high0 Ų044.5 Ų44.50%024%0.239CC..EExtended strand (participates in β ladder)trans-140.8122.2-170.4-175.20000110.1M5 L6 F8 V57 V58M5-C68 CarbonylContact C-O 3.5Å; M5-C68 WeakPolarHBondContact CA-O 3.36Å; L6-C68 HydrophobicContact CB-CB 4.37Å; L6-C68 PolarHBondContact N-O 2.62Å; L6-C68 PolarHBondContact O-N 3.38Å; F8-C68 HydrophobicContact CE1-CB 3.75Å; F8-C68 HydrophobicContact CZ-CB 4.26Å; V57-C68 WeakPolarHBondContact CG1-SG 3.49Å; V58-C68 CarbonylContact O-C 3.58Å; V58-C68 WeakPolarHBondContact O-CA 3.49Å
69C98.6Very high97.2Very high0 Ų050 Ų500%027%0.267CS..EExtended strand (participates in β ladder)trans-116.4136.9177.3-64.10000109.3M2 F4 V57 V58 I71 T80 I84M2-C69 HydrophobicContact CE-CB 3.82Å; M2-C69 VanDerWaalsContact CE-SG 3.51Å; M2-C69 HydrophobicContact CG-CB 4.31Å; M2-C69 HydrophobicContact SD-CB 3.89Å; M2-C69 VanDerWaalsContact SD-SG 3.66Å; F4-C69 WeakPolarHBondContact O-CA 3.36Å; V57-C69 WeakPolarHBondContact CA-O 3.39Å; V58-C69 PolarHBondContact N-O 3.05Å; V58-C69 PolarHBondContact O-N 2.71Å; C69-I71 HydrophobicContact CB-CG2 4.5Å; C69-T80 HydrophobicContact CB-CG2 3.78Å; C69-I84 HydrophobicContact CB-CD1 4.4Å
70A98.4Very high97.2Very high0 Ų049.6 Ų49.60%027%0.266CS..EExtended strand (participates in β ladder)trans-103.3122.8167.800000109.1M2 R3 F4 L55 V57M2-A70 CarbonylContact C-O 3.5Å; M2-A70 WeakPolarHBondContact CG-O 3.24Å; R3-A70 HydrophobicContact CB-CB 4.39Å; R3-A70 PolarHBondContact N-O 3.07Å; F4-A70 HydrophobicContact CD1-CB 3.97Å; F4-A70 HydrophobicContact CD2-CB 4.02Å; F4-A70 HydrophobicContact CE1-CB 3.52Å; F4-A70 HydrophobicContact CE2-CB 3.57Å; F4-A70 HydrophobicContact CG-CB 4.21Å; F4-A70 HydrophobicContact CZ-CB 3.31Å; F4-A70 PolarHBondContact O-N 2.89Å; L55-A70 HydrophobicContact CD1-CB 4.16Å; V57-A70 HydrophobicContact CG2-CB 4.49Å
71I98.1Very high97.2Very high2 Ų247.7 Ų47.71%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-123.8162.6-176.468.1-178.4000110.6M2 K56 V58 C69 D75 E77 T80M2-I71 HydrophobicContact CB-CG2 4.33Å; M2-I71 HydrophobicContact CG-CG2 4.25Å; K56-I71 HydrophobicContact CB-CD1 4.32Å; K56-I71 HydrophobicContact CB-CG1 3.75Å; K56-I71 PolarHBondContact N-O 2.8Å; K56-I71 WeakPolarHBondContact O-CG1 3.28Å; K56-I71 PolarHBondContact O-N 3.22Å; V58-I71 HydrophobicContact CG2-CD1 3.77Å; V58-I71 HydrophobicContact CG2-CG1 4.46Å; C69-I71 HydrophobicContact CB-CG2 4.5Å; I71-D75 HydrophobicContact CB-CB 4Å; I71-D75 HydrophobicContact CD1-CB 3.86Å; I71-D75 HydrophobicContact CG1-CB 4.1Å; I71-E77 HydrophobicContact CD1-CG 4.39Å; I71-T80 HydrophobicContact CD1-CG2 4.35Å; I71-T80 WeakPolarHBondContact CD1-OG1 3.33Å; I71-T80 HydrophobicContact CG2-CG2 3.71Å
72E97.3Very high97.3Very high34 Ų3449.1 Ų49.116%0.15927%0.27CS..  trans-75.7159.7178.4-67.4175.1156.700111.6M1 R3 Q74 D75M1-E72 PolarHBondContact N-OE2 3.1Å; M1-E72 PolarHBondContact O-N 3.43Å; R3-E72 IonicContact CZ-OE1 3.52Å; R3-E72 IonicContact NE-OE1 3.35Å; R3-E72 PolarHBondContact NE-OE1 2.84Å; R3-E72 IonicContact NH2-OE1 2.99Å; R3-E72 PolarHBondContact NH2-OE1 3.48Å; E72-Q74 HydrophobicContact CB-CG 4.16Å; E72-Q74 PolarHBondContact O-N 2.93Å; E72-Q74 VanDerWaalsContact O-N 3.1Å; E72-Q74 PolarHBondContact OE2-NE2 3.26Å; E72-D75 PolarHBondContact N-OD2 2.97Å; E72-D75 PolarHBondContact O-N 2.95Å
73G95.8Very high97.3Very high47 Ų4747.4 Ų47.449%0.48527%0.265SS..THydrogen-bonded Turntrans-58.4-26.6-178.100000114.6K56K56-G73 WeakPolarHBondContact CE-O 3.39Å; K56-G73 PolarHBondContact NZ-O 3.44Å
74Q96.4Very high97.5Very high163 Ų16343.2 Ų43.276%0.76223%0.23SC*.THydrogen-bonded Turntrans-81.4-15179.163.4-169.3-5.500114.3E72E72-Q74 HydrophobicContact CB-CG 4.16Å; E72-Q74 PolarHBondContact O-N 2.93Å; E72-Q74 VanDerWaalsContact O-N 3.1Å; E72-Q74 PolarHBondContact OE2-NE2 3.26Å
75D96.9Very high97.7Very high39 Ų3944.6 Ų44.621%0.20923%0.231CC..SBendtrans-80.5156.6-178.3-63.6-44000112M1 I71 E72M1-D75 PolarHBondContact N-OD1 3.49Å; M1-D75 PolarHBondContact N-OD2 3.48Å; I71-D75 HydrophobicContact CB-CB 4Å; I71-D75 HydrophobicContact CD1-CB 3.86Å; I71-D75 HydrophobicContact CG1-CB 4.1Å; E72-D75 PolarHBondContact N-OD2 2.97Å; E72-D75 PolarHBondContact O-N 2.95Å
76N97.3Very high97.8Very high76 Ų7647.7 Ų47.741%0.40624%0.243SC..  trans-89120.2-180-172.8-44000111.3L78 I79 T80N76-L78 PolarHBondContact O-N 2.98Å; N76-L78 WeakPolarHBondContact OD1-CB 3.44Å; N76-L78 PolarHBondContact OD1-N 2.97Å; N76-I79 HydrophobicContact CB-CB 4.15Å; N76-I79 HydrophobicContact CB-CD1 3.92Å; N76-I79 HydrophobicContact CB-CG1 4.05Å; N76-I79 PolarHBondContact O-N 3.1Å; N76-I79 PolarHBondContact OD1-N 3.02Å; N76-T80 PolarHBondContact O-N 3.41Å; N76-T80 VanDerWaalsContact O-N 3.13Å; N76-T80 PolarHBondContact O-OG1 3.4Å
77E97.9Very high97.8Very high52 Ų5246.7 Ų46.724%0.24324%0.239CC..Hα-helixtrans-64.8-37.1-178.5-61.590155.100112.7F49 K56 V58 I71 T80 L81F49-E77 HydrophobicContact CB-CG 4.47Å; F49-E77 HydrophobicContact CD1-CB 3.73Å; F49-E77 HydrophobicContact CD1-CG 4.29Å; F49-E77 HydrophobicContact CD2-CB 4.25Å; F49-E77 HydrophobicContact CE1-CB 3.82Å; F49-E77 HydrophobicContact CE2-CB 4.35Å; F49-E77 HydrophobicContact CG-CB 3.97Å; F49-E77 HydrophobicContact CG-CG 4.2Å; F49-E77 HydrophobicContact CZ-CB 4.16Å; K56-E77 HydrophobicContact CD-CG 4.17Å; K56-E77 WeakPolarHBondContact CD-OE1 3.48Å; K56-E77 WeakPolarHBondContact CE-OE1 3.48Å; K56-E77 IonicContact NZ-OE1 2.73Å; K56-E77 PolarHBondContact NZ-OE1 3.05Å; K56-E77 IonicContact NZ-OE2 3.57Å; V58-E77 HydrophobicContact CG2-CB 4.01Å; V58-E77 HydrophobicContact CG2-CG 4.23Å; I71-E77 HydrophobicContact CD1-CG 4.39Å; E77-T80 PolarHBondContact O-N 2.9Å; E77-L81 WeakPolarHBondContact O-CB 3.41Å; E77-L81 PolarHBondContact O-N 3.39Å
78L98.1Very high97.8Very high109 Ų10947.4 Ų47.457%0.57124%0.244SC*.Hα-helixtrans-71.5-41.6-178.4-61.9174.6000111.3F49 N76 T80 L81 E82F49-L78 HydrophobicContact CE2-CD2 4.14Å; F49-L78 HydrophobicContact CZ-CD2 3.76Å; N76-L78 PolarHBondContact O-N 2.98Å; N76-L78 WeakPolarHBondContact OD1-CB 3.44Å; N76-L78 PolarHBondContact OD1-N 2.97Å; L78-T80 VanDerWaalsContact C-N 3.27Å; L78-T80 PolarHBondContact O-N 3.38Å; L78-L81 WeakPolarHBondContact O-CB 3.39Å; L78-L81 PolarHBondContact O-N 3.48Å; L78-L81 VanDerWaalsContact O-N 3.14Å; L78-E82 PolarHBondContact O-N 2.81Å
79I97.5Very high97.7Very high115 Ų11550.3 Ų50.359%0.5926%0.257SS*.Hα-helixtrans-63.1-39.2174.7-64.4178.3000110.3N76 L81 E82 L83N76-I79 HydrophobicContact CB-CB 4.15Å; N76-I79 HydrophobicContact CB-CD1 3.92Å; N76-I79 HydrophobicContact CB-CG1 4.05Å; N76-I79 PolarHBondContact O-N 3.1Å; N76-I79 PolarHBondContact OD1-N 3.02Å; I79-L81 VanDerWaalsContact C-N 3.3Å; I79-L81 PolarHBondContact O-N 2.88Å; I79-E82 PolarHBondContact O-N 3.28Å; I79-L83 WeakPolarHBondContact O-CB 3.47Å; I79-L83 PolarHBondContact O-N 3.34Å
80T98.1Very high97.7Very high11 Ų1150.3 Ų50.37%0.06726%0.257CS..Hα-helixtrans-65.5-35.6175.3-55.10000111.7M2 V58 C69 I71 N76 E77 L78 L83 I84M2-T80 HydrophobicContact CE-CG2 4.34Å; V58-T80 HydrophobicContact CB-CG2 3.86Å; V58-T80 HydrophobicContact CG1-CG2 4.1Å; V58-T80 HydrophobicContact CG2-CG2 3.95Å; C69-T80 HydrophobicContact CB-CG2 3.78Å; I71-T80 HydrophobicContact CD1-CG2 4.35Å; I71-T80 WeakPolarHBondContact CD1-OG1 3.33Å; I71-T80 HydrophobicContact CG2-CG2 3.71Å; N76-T80 PolarHBondContact O-N 3.41Å; N76-T80 VanDerWaalsContact O-N 3.13Å; N76-T80 PolarHBondContact O-OG1 3.4Å; E77-T80 PolarHBondContact O-N 2.9Å; L78-T80 VanDerWaalsContact C-N 3.27Å; L78-T80 PolarHBondContact O-N 3.38Å; T80-L83 WeakPolarHBondContact O-CB 3.48Å; T80-L83 PolarHBondContact O-N 3.28Å; T80-I84 WeakPolarHBondContact O-CG1 3.37Å; T80-I84 PolarHBondContact O-N 3.13Å
81L98.2Very high97.6Very high34 Ų3450.3 Ų50.318%0.17826%0.257CS..Hα-helixtrans-66.1-40.7175.1-165.767.3000111.8F49 V58 K60 E77 L78 I79 I84 H85F49-L81 HydrophobicContact CE1-CB 4.39Å; F49-L81 HydrophobicContact CE1-CD1 4.5Å; F49-L81 HydrophobicContact CE1-CD2 4.21Å; F49-L81 HydrophobicContact CZ-CD2 4.15Å; V58-L81 HydrophobicContact CG1-CB 4.1Å; V58-L81 HydrophobicContact CG1-CD1 3.86Å; K60-L81 HydrophobicContact CB-CD1 3.9Å; K60-L81 HydrophobicContact CD-CD1 4.28Å; K60-L81 HydrophobicContact CG-CD1 4.39Å; E77-L81 WeakPolarHBondContact O-CB 3.41Å; E77-L81 PolarHBondContact O-N 3.39Å; L78-L81 WeakPolarHBondContact O-CB 3.39Å; L78-L81 PolarHBondContact O-N 3.48Å; L78-L81 VanDerWaalsContact O-N 3.14Å; I79-L81 VanDerWaalsContact C-N 3.3Å; I79-L81 PolarHBondContact O-N 2.88Å; L81-I84 PolarHBondContact O-N 3.04Å; L81-H85 PolarHBondContact O-N 2.98Å
82E97.8Very high97.6Very high125 Ų12553.8 Ų53.858%0.58428%0.276SS*.Hα-helixtrans-66.2-37173.3-72.7-59.5136.900112.2L78 I79 H85 R86L78-E82 PolarHBondContact O-N 2.81Å; I79-E82 PolarHBondContact O-N 3.28Å; E82-H85 WeakPolarHBondContact O-CB 3.42Å; E82-H85 PolarHBondContact O-N 3.39Å; E82-H85 VanDerWaalsContact O-N 3.15Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 2.88Å
83L97.8Very high97.5Very high21 Ų2159.1 Ų59.111%0.1130%0.299CS..Hα-helixtrans-59.5-46.6172.7176.7167.7000111.1M2 I79 T80 H85 R86 Y87 F117 L118 V123M2-L83 HydrophobicContact CE-CD1 3.84Å; M2-L83 HydrophobicContact CE-CD2 3.84Å; I79-L83 WeakPolarHBondContact O-CB 3.47Å; I79-L83 PolarHBondContact O-N 3.34Å; T80-L83 WeakPolarHBondContact O-CB 3.48Å; T80-L83 PolarHBondContact O-N 3.28Å; L83-H85 VanDerWaalsContact C-N 3.29Å; L83-H85 PolarHBondContact O-N 3.5Å; L83-R86 PolarHBondContact O-N 3.28Å; L83-Y87 PolarHBondContact O-N 3.24Å; L83-F117 HydrophobicContact CD2-CE1 4Å; L83-F117 HydrophobicContact CG-CE1 3.83Å; L83-F117 HydrophobicContact CG-CZ 3.94Å; L83-L118 HydrophobicContact CD1-CD2 3.79Å; L83-L118 HydrophobicContact CD2-CD1 3.95Å; L83-L118 HydrophobicContact CD2-CD2 4.23Å; L83-L118 HydrophobicContact CG-CD2 4.03Å; L83-V123 HydrophobicContact CD1-CG2 3.55Å; L83-V123 HydrophobicContact CG-CG2 4.14Å
84I98.3Very high97.6Very high0 Ų060 Ų600%029%0.288CS..Hα-helixtrans-58.1-45.2174.1-69.5171000110.1V58 K60 Y62 F67 C69 T80 L81 Y87 V88V58-I84 HydrophobicContact CG1-CD1 4.06Å; K60-I84 HydrophobicContact CB-CG2 4.25Å; Y62-I84 HydrophobicContact CE2-CG2 3.97Å; F67-I84 HydrophobicContact CB-CG2 3.47Å; F67-I84 VanDerWaalsContact CB-CG2 3.47Å; F67-I84 HydrophobicContact CD1-CG2 4.3Å; F67-I84 HydrophobicContact CG-CG2 4Å; C69-I84 HydrophobicContact CB-CD1 4.4Å; T80-I84 WeakPolarHBondContact O-CG1 3.37Å; T80-I84 PolarHBondContact O-N 3.13Å; L81-I84 PolarHBondContact O-N 3.04Å; I84-Y87 PolarHBondContact O-N 2.99Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.33Å; I84-V88 VanDerWaalsContact O-N 3.08Å
85H98Very high97.6Very high73 Ų7354.4 Ų54.434%0.33826%0.261SS..Hα-helixtrans-61.8-44.9179-169.255.5000111.7Y62 L81 E82 L83 Y87 V88 E89Y62-H85 AromaticContact CE1-ND1 3.79Å; Y62-H85 AromaticContact CZ-ND1 3.69Å; Y62-H85 WeakPolarHBondContact OH-CB 3.32Å; Y62-H85 PolarHBondContact OH-ND1 2.78Å; L81-H85 PolarHBondContact O-N 2.98Å; E82-H85 WeakPolarHBondContact O-CB 3.42Å; E82-H85 PolarHBondContact O-N 3.39Å; E82-H85 VanDerWaalsContact O-N 3.15Å; L83-H85 VanDerWaalsContact C-N 3.29Å; L83-H85 PolarHBondContact O-N 3.5Å; H85-Y87 VanDerWaalsContact C-N 3.33Å; H85-Y87 PolarHBondContact O-N 3.14Å; H85-V88 WeakPolarHBondContact O-CB 3.41Å; H85-V88 PolarHBondContact O-N 3.43Å; H85-V88 VanDerWaalsContact O-N 3.12Å; H85-E89 PolarHBondContact O-N 3.24Å
86R97.8Very high97.4Very high74 Ų7455 Ų5528%0.27928%0.276SS..Hα-helixtrans-59.4-42.2176.2178.155.16580.69.9112.1E82 L83 V88 E89 L90 F117 T126E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 2.88Å; L83-R86 PolarHBondContact O-N 3.28Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 3.48Å; R86-E89 IonicContact NE-OE2 3.35Å; R86-E89 PolarHBondContact NE-OE2 2.89Å; R86-E89 WeakPolarHBondContact O-CB 3.29Å; R86-E89 PolarHBondContact O-N 3.41Å; R86-L90 HydrophobicContact CG-CD1 4.37Å; R86-L90 WeakPolarHBondContact O-CG 3.27Å; R86-L90 PolarHBondContact O-N 3.41Å; R86-F117 HydrophobicContact CB-CE1 4.4Å; R86-F117 HydrophobicContact CB-CZ 3.93Å; R86-F117 HydrophobicContact CG-CE1 4.3Å; R86-F117 HydrophobicContact CG-CE2 3.86Å; R86-F117 HydrophobicContact CG-CZ 3.67Å; R86-T126 PolarHBondContact NH1-O 2.93Å
87Y98.2Very high97.2Very high0 Ų056.2 Ų56.20%029%0.291CS..Hα-helixtrans-63-39.6176-179.2-122.3000111.9M5 L7 F67 L83 I84 H85 E89 L90 L91 A110 I113 L114 F117M5-Y87 HydrophobicContact CE-CD1 3.45Å; M5-Y87 VanDerWaalsContact CE-CD1 3.45Å; M5-Y87 HydrophobicContact CE-CE1 3.88Å; M5-Y87 HydrophobicContact CE-CG 4.3Å; L7-Y87 HydrophobicContact CD2-CE1 4.25Å; F67-Y87 HydrophobicContact CD1-CD1 4.15Å; F67-Y87 HydrophobicContact CD1-CE1 4.49Å; F67-Y87 AromaticContact CE1-CD1 3.85Å; F67-Y87 HydrophobicContact CE1-CD1 3.85Å; F67-Y87 AromaticContact CE1-CE1 3.99Å; F67-Y87 HydrophobicContact CE1-CE1 3.99Å; L83-Y87 PolarHBondContact O-N 3.24Å; I84-Y87 PolarHBondContact O-N 2.99Å; H85-Y87 VanDerWaalsContact C-N 3.33Å; H85-Y87 PolarHBondContact O-N 3.14Å; Y87-E89 PolarHBondContact O-N 2.99Å; Y87-L90 WeakPolarHBondContact O-CB 3.16Å; Y87-L90 PolarHBondContact O-N 3.03Å; Y87-L91 HydrophobicContact CD1-CD1 3.92Å; Y87-L91 HydrophobicContact CD2-CG 4.44Å; Y87-L91 HydrophobicContact CE1-CD1 3.59Å; Y87-L91 HydrophobicContact CE1-CG 4.27Å; Y87-L91 HydrophobicContact CE2-CD1 4.31Å; Y87-L91 HydrophobicContact CE2-CD2 4.24Å; Y87-L91 HydrophobicContact CE2-CG 4.09Å; Y87-L91 HydrophobicContact CG-CD1 4.44Å; Y87-L91 WeakPolarHBondContact O-CG 3.45Å; Y87-L91 PolarHBondContact O-N 2.89Å; Y87-A110 PolarHBondContact OH-O 2.96Å; Y87-I113 HydrophobicContact CD2-CG2 4.36Å; Y87-I113 HydrophobicContact CE2-CB 4.34Å; Y87-I113 HydrophobicContact CE2-CG2 3.94Å; Y87-L114 HydrophobicContact CD1-CD1 4.28Å; Y87-L114 HydrophobicContact CD2-CD1 3.84Å; Y87-L114 HydrophobicContact CE1-CD1 4.11Å; Y87-L114 HydrophobicContact CE2-CB 3.71Å; Y87-L114 HydrophobicContact CE2-CD1 3.7Å; Y87-L114 HydrophobicContact CE2-CG 4.31Å; Y87-L114 HydrophobicContact CG-CD1 4.14Å; Y87-F117 HydrophobicContact CD2-CD1 4.28Å
88V97.7Very high97.1Very high21 Ų2155.5 Ų55.513%0.12729%0.29CS..Hα-helixtrans-63.3-40.2173.1174.90000111.7Y62 F67 I84 H85 R86 L90 L91 D92Y62-V88 HydrophobicContact CD1-CG1 4.15Å; Y62-V88 HydrophobicContact CD2-CG2 3.84Å; Y62-V88 HydrophobicContact CE1-CG1 4.31Å; Y62-V88 HydrophobicContact CE2-CG2 3.82Å; Y62-V88 HydrophobicContact CG-CG1 4.38Å; Y62-V88 HydrophobicContact CG-CG2 4.24Å; F67-V88 HydrophobicContact CD1-CG2 4.14Å; F67-V88 HydrophobicContact CD2-CG2 4.3Å; F67-V88 HydrophobicContact CE1-CG2 3.73Å; F67-V88 HydrophobicContact CE2-CG2 3.92Å; F67-V88 HydrophobicContact CG-CG2 4.42Å; F67-V88 HydrophobicContact CZ-CG2 3.63Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.33Å; I84-V88 VanDerWaalsContact O-N 3.08Å; H85-V88 WeakPolarHBondContact O-CB 3.41Å; H85-V88 PolarHBondContact O-N 3.43Å; H85-V88 VanDerWaalsContact O-N 3.12Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 3.48Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 2.87Å; V88-L91 PolarHBondContact O-N 3.42Å; V88-D92 WeakPolarHBondContact O-CB 3.37Å; V88-D92 PolarHBondContact O-N 3.47Å
89E97.4Very high96.9Very high60 Ų6053.1 Ų53.128%0.2828%0.281SS..Hα-helixtrans-64.2-36.5174.4-64.7-168.6116.600112.9H85 R86 Y87 K93 K128H85-E89 PolarHBondContact O-N 3.24Å; R86-E89 IonicContact NE-OE2 3.35Å; R86-E89 PolarHBondContact NE-OE2 2.89Å; R86-E89 WeakPolarHBondContact O-CB 3.29Å; R86-E89 PolarHBondContact O-N 3.41Å; Y87-E89 PolarHBondContact O-N 2.99Å; E89-K93 VanDerWaalsContact O-CB 3.28Å; E89-K93 WeakPolarHBondContact O-CB 3.47Å; E89-K93 PolarHBondContact O-N 3.25Å; E89-K128 HydrophobicContact CB-CD 3.92Å; E89-K128 IonicContact OE1-NZ 3.28Å; E89-K128 PolarHBondContact OE1-NZ 3.28Å; E89-K128 IonicContact OE2-NZ 2.71Å; E89-K128 PolarHBondContact OE2-NZ 2.8Å
90L97.7Very high96.8Very high0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-64.8-47.9175.9-73.4168.7000110.6R86 Y87 V88 D92 K93 Y94 I113 F117 K128 V131 L132R86-L90 HydrophobicContact CG-CD1 4.37Å; R86-L90 WeakPolarHBondContact O-CG 3.27Å; R86-L90 PolarHBondContact O-N 3.41Å; Y87-L90 WeakPolarHBondContact O-CB 3.16Å; Y87-L90 PolarHBondContact O-N 3.03Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 2.87Å; L90-D92 PolarHBondContact O-N 3.49Å; L90-K93 PolarHBondContact O-N 2.94Å; L90-Y94 WeakPolarHBondContact O-CB 3.37Å; L90-Y94 PolarHBondContact O-N 3.48Å; L90-I113 HydrophobicContact CB-CG2 3.88Å; L90-F117 HydrophobicContact CD1-CB 3.83Å; L90-F117 HydrophobicContact CD1-CD1 4.05Å; L90-F117 HydrophobicContact CD1-CD2 4.03Å; L90-F117 HydrophobicContact CD1-CG 3.7Å; L90-K128 HydrophobicContact CD2-CG 3.83Å; L90-V131 HydrophobicContact CD1-CB 4.49Å; L90-V131 HydrophobicContact CD1-CG1 3.87Å; L90-V131 HydrophobicContact CD2-CB 3.93Å; L90-V131 HydrophobicContact CD2-CG1 3.76Å; L90-V131 HydrophobicContact CG-CG1 4.47Å; L90-L132 HydrophobicContact CD2-CD1 4.39Å; L90-L132 HydrophobicContact CD2-CD2 4.07Å; L90-L132 HydrophobicContact CD2-CG 3.77Å
91L97.8Very high96.7Very high1 Ų153.1 Ų53.11%0.00528%0.281CS..Hα-helixtrans-57.9-47.1174.3-71170000111.5F67 Y87 V88 K93 Y94 F95 V98 I103 A110 I113F67-L91 HydrophobicContact CE1-CD1 4.08Å; F67-L91 HydrophobicContact CZ-CD1 4.25Å; Y87-L91 HydrophobicContact CD1-CD1 3.92Å; Y87-L91 HydrophobicContact CD2-CG 4.44Å; Y87-L91 HydrophobicContact CE1-CD1 3.59Å; Y87-L91 HydrophobicContact CE1-CG 4.27Å; Y87-L91 HydrophobicContact CE2-CD1 4.31Å; Y87-L91 HydrophobicContact CE2-CD2 4.24Å; Y87-L91 HydrophobicContact CE2-CG 4.09Å; Y87-L91 HydrophobicContact CG-CD1 4.44Å; Y87-L91 WeakPolarHBondContact O-CG 3.45Å; Y87-L91 PolarHBondContact O-N 2.89Å; V88-L91 PolarHBondContact O-N 3.42Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 2.93Å; L91-Y94 PolarHBondContact O-N 3.12Å; L91-F95 HydrophobicContact CB-CD2 4.5Å; L91-F95 HydrophobicContact CD2-CD2 4.31Å; L91-F95 HydrophobicContact CD2-CE2 3.8Å; L91-F95 WeakPolarHBondContact O-CD2 3.42Å; L91-F95 PolarHBondContact O-N 3.08Å; L91-V98 HydrophobicContact CB-CB 4.49Å; L91-V98 HydrophobicContact CB-CG1 4.2Å; L91-V98 HydrophobicContact CB-CG2 4.24Å; L91-I103 HydrophobicContact CD1-CD1 4.25Å; L91-A110 HydrophobicContact CD2-CB 4.15Å; L91-I113 HydrophobicContact CD2-CD1 3.93Å
92D97.1Very high96.6Very high74 Ų7453.7 Ų53.740%0.39628%0.284SS..Hα-helixtrans-62.6-40-180-173.463.9000112.4V88 L90 G96 S97 V98V88-D92 WeakPolarHBondContact O-CB 3.37Å; V88-D92 PolarHBondContact O-N 3.47Å; L90-D92 PolarHBondContact O-N 3.49Å; D92-G96 WeakPolarHBondContact O-CA 3.28Å; D92-G96 PolarHBondContact O-N 2.97Å; D92-S97 WeakPolarHBondContact OD1-CA 3.43Å; D92-S97 PolarHBondContact OD1-N 3.49Å; D92-V98 HydrophobicContact CB-CG1 3.81Å; D92-V98 PolarHBondContact OD1-N 2.89Å; D92-V98 VanDerWaalsContact OD1-N 3.1Å
93K96.5Very high96.5Very high147 Ų14747.9 Ų47.964%0.63926%0.257SS*.Hα-helixtrans-73.4-31.9179.3-171.953.9175.6170.90112.7E89 L90 L91 L132E89-K93 VanDerWaalsContact O-CB 3.28Å; E89-K93 WeakPolarHBondContact O-CB 3.47Å; E89-K93 PolarHBondContact O-N 3.25Å; L90-K93 PolarHBondContact O-N 2.94Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 2.93Å; K93-L132 HydrophobicContact CB-CD1 3.91Å; K93-L132 HydrophobicContact CB-CD2 4.06Å; K93-L132 HydrophobicContact CG-CD1 3.36Å; K93-L132 HydrophobicContact CG-CD2 4.05Å; K93-L132 HydrophobicContact CG-CG 4.36Å
94Y96.6Very high96.5Very high65 Ų6549.8 Ų49.826%0.25527%0.267SS..Hα-helixtrans-73.4-53.5176.7-177-95000112L90 L91 K109 I113 I135 D139L90-Y94 WeakPolarHBondContact O-CB 3.37Å; L90-Y94 PolarHBondContact O-N 3.48Å; L91-Y94 PolarHBondContact O-N 3.12Å; Y94-K109 HydrophobicContact CE1-CB 4.07Å; Y94-K109 HydrophobicContact CE1-CG 4.47Å; Y94-I113 HydrophobicContact CD1-CD1 3.51Å; Y94-I113 HydrophobicContact CD2-CD1 4.18Å; Y94-I113 HydrophobicContact CD2-CG1 4.47Å; Y94-I113 HydrophobicContact CE1-CD1 4.04Å; Y94-I113 HydrophobicContact CG-CD1 3.57Å; Y94-I113 HydrophobicContact CG-CG1 4.31Å; Y94-I135 HydrophobicContact CD2-CG2 3.73Å; Y94-I135 HydrophobicContact CE2-CG2 3.42Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.42Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.38Å; Y94-D139 VanDerWaalsContact CZ-OD2 3.3Å; Y94-D139 PolarHBondContact OH-OD2 2.98Å
95F95.9Very high96.4Very high45 Ų4556.6 Ų56.620%0.19730%0.297CS..Hα-helixtrans-81.4-25.6-176.8-69.1-67000113.7L91 V98 D102 N106 K109 I113L91-F95 HydrophobicContact CB-CD2 4.5Å; L91-F95 HydrophobicContact CD2-CD2 4.31Å; L91-F95 HydrophobicContact CD2-CE2 3.8Å; L91-F95 WeakPolarHBondContact O-CD2 3.42Å; L91-F95 PolarHBondContact O-N 3.08Å; F95-V98 HydrophobicContact CB-CB 4.1Å; F95-V98 HydrophobicContact CB-CG2 4.18Å; F95-V98 HydrophobicContact CD2-CB 4.29Å; F95-V98 HydrophobicContact CD2-CG2 3.64Å; F95-V98 HydrophobicContact CE2-CG2 4.45Å; F95-V98 HydrophobicContact CG-CG2 4.21Å; F95-D102 HydrophobicContact CB-CB 4.46Å; F95-D102 HydrophobicContact CD1-CB 3.99Å; F95-D102 HydrophobicContact CD2-CB 4.39Å; F95-D102 HydrophobicContact CE1-CB 4.33Å; F95-D102 HydrophobicContact CG-CB 4.03Å; F95-N106 HydrophobicContact CE1-CB 3.77Å; F95-N106 HydrophobicContact CZ-CB 3.98Å; F95-K109 HydrophobicContact CZ-CB 4.26Å; F95-I113 HydrophobicContact CE2-CD1 4.13Å
96G94.3Very high96.3Very high51 Ų5155.9 Ų55.953%0.52630%0.295SS..THydrogen-bonded Turntrans7495.2-173.800000112.4D92D92-G96 WeakPolarHBondContact O-CA 3.28Å; D92-G96 PolarHBondContact O-N 2.97Å
97S92.3Very high96.2Very high103 Ų10357.5 Ų57.572%0.7230%0.304SS*.SBendtrans63.658.3-172.4-53.60000112.5D92 C99D92-S97 WeakPolarHBondContact OD1-CA 3.43Å; D92-S97 PolarHBondContact OD1-N 3.49Å; S97-C99 PolarHBondContact O-N 2.87Å
98V95.1Very high96.1Very high36 Ų3660.7 Ų60.722%0.21832%0.319CS..  trans-58.1135.2-172.265.50000112.5L91 D92 F95 D102 I103L91-V98 HydrophobicContact CB-CB 4.49Å; L91-V98 HydrophobicContact CB-CG1 4.2Å; L91-V98 HydrophobicContact CB-CG2 4.24Å; D92-V98 HydrophobicContact CB-CG1 3.81Å; D92-V98 PolarHBondContact OD1-N 2.89Å; D92-V98 VanDerWaalsContact OD1-N 3.1Å; F95-V98 HydrophobicContact CB-CB 4.1Å; F95-V98 HydrophobicContact CB-CG2 4.18Å; F95-V98 HydrophobicContact CD2-CB 4.29Å; F95-V98 HydrophobicContact CD2-CG2 3.64Å; F95-V98 HydrophobicContact CE2-CG2 4.45Å; F95-V98 HydrophobicContact CG-CG2 4.21Å; V98-D102 HydrophobicContact CG2-CB 4.33Å; V98-I103 HydrophobicContact CG2-CD1 4.42Å; V98-I103 HydrophobicContact CG2-CG1 4.35Å
99C94.5Very high96Very high59 Ų5961.4 Ų61.440%0.39932%0.321SS..  trans-122171.3171.877.50000112S97 L101 D102S97-C99 PolarHBondContact O-N 2.87Å; C99-L101 PolarHBondContact O-N 3.01Å; C99-L101 VanDerWaalsContact SG-CB 3.59Å; C99-L101 PolarHBondContact SG-N 3.23Å; C99-D102 PolarHBondContact N-OD2 2.71Å; C99-D102 PolarHBondContact O-N 3.03Å; C99-D102 PolarHBondContact SG-OD2 3.09Å
100E95.1Very high96.1Very high34 Ų3458.5 Ų58.516%0.15931%0.307CS..Hα-helixtrans-58.9-31.8177.3172.8172.3-179.200112.4S9 R15 S64 L65 I103 I104S9-E100 WeakPolarHBondContact CB-OE1 3.48Å; R15-E100 IonicContact CZ-OE1 2.59Å; R15-E100 VanDerWaalsContact CZ-OE1 3.23Å; R15-E100 IonicContact NE-OE1 3.65Å; R15-E100 PolarHBondContact NE-OE1 3.19Å; R15-E100 IonicContact NH2-OE1 3.49Å; R15-E100 PolarHBondContact NH2-OE1 3.39Å; S64-E100 VanDerWaalsContact CB-OE2 3.29Å; S64-E100 WeakPolarHBondContact CB-OE2 3.46Å; S64-E100 PolarHBondContact OG-OE2 3.24Å; L65-E100 HydrophobicContact CD1-CB 3.9Å; L65-E100 HydrophobicContact CD1-CG 4.19Å; L65-E100 HydrophobicContact CD2-CB 4.32Å; L65-E100 HydrophobicContact CD2-CG 3.82Å; L65-E100 HydrophobicContact CG-CB 3.92Å; L65-E100 HydrophobicContact CG-CG 4Å; E100-I103 PolarHBondContact O-N 3.25Å; E100-I104 HydrophobicContact CG-CD1 3.85Å; E100-I104 HydrophobicContact CG-CG1 4.36Å; E100-I104 WeakPolarHBondContact O-CG1 3.19Å; E100-I104 PolarHBondContact O-N 3.42Å; E100-I104 VanDerWaalsContact O-N 3.1Å
101L96.1Very high96.1Very high93 Ų9361.2 Ų61.249%0.48732%0.318SS..Hα-helixtrans-69.4-35.6-176.7-161.761.9000111.9C99 I103 I104 F105C99-L101 PolarHBondContact O-N 3.01Å; C99-L101 VanDerWaalsContact SG-CB 3.59Å; C99-L101 PolarHBondContact SG-N 3.23Å; L101-I103 VanDerWaalsContact C-N 3.3Å; L101-I103 PolarHBondContact O-N 2.92Å; L101-I104 HydrophobicContact CD1-CD1 4.35Å; L101-I104 WeakPolarHBondContact O-CB 3.12Å; L101-I104 PolarHBondContact O-N 3.28Å; L101-I104 VanDerWaalsContact O-N 3.11Å; L101-F105 HydrophobicContact CD1-CD2 3.91Å; L101-F105 HydrophobicContact CD1-CE2 3.43Å; L101-F105 VanDerWaalsContact CD1-CE2 3.43Å; L101-F105 HydrophobicContact CD1-CZ 4.32Å; L101-F105 HydrophobicContact CD2-CD2 4.46Å; L101-F105 HydrophobicContact CD2-CE2 3.96Å; L101-F105 HydrophobicContact CG-CD2 3.66Å; L101-F105 HydrophobicContact CG-CE2 3.47Å; L101-F105 VanDerWaalsContact CG-CE2 3.47Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 PolarHBondContact O-N 2.99Å
102D96.6Very high96Very high46 Ų4665.9 Ų65.925%0.24634%0.338CS..Hα-helixtrans-62.7-40.1176.7-55-43.3000111.1F95 V98 C99 I104 N106F95-D102 HydrophobicContact CB-CB 4.46Å; F95-D102 HydrophobicContact CD1-CB 3.99Å; F95-D102 HydrophobicContact CD2-CB 4.39Å; F95-D102 HydrophobicContact CE1-CB 4.33Å; F95-D102 HydrophobicContact CG-CB 4.03Å; V98-D102 HydrophobicContact CG2-CB 4.33Å; C99-D102 PolarHBondContact N-OD2 2.71Å; C99-D102 PolarHBondContact O-N 3.03Å; C99-D102 PolarHBondContact SG-OD2 3.09Å; D102-I104 VanDerWaalsContact C-N 3.35Å; D102-N106 WeakPolarHBondContact O-CB 3.46Å; D102-N106 PolarHBondContact O-N 2.78Å; D102-N106 PolarHBondContact O-ND2 3.12Å
103I96.8Very high96.1Very high3 Ų362.4 Ų62.42%0.01532%0.319CS..Hα-helixtrans-70.1-32.6175.9-62.4166.8000111.2R15 L65 L91 V98 E100 L101 F107 A110R15-I103 HydrophobicContact CB-CG2 4.14Å; L65-I103 HydrophobicContact CD1-CD1 3.57Å; L91-I103 HydrophobicContact CD1-CD1 4.25Å; V98-I103 HydrophobicContact CG2-CD1 4.42Å; V98-I103 HydrophobicContact CG2-CG1 4.35Å; E100-I103 PolarHBondContact O-N 3.25Å; L101-I103 VanDerWaalsContact C-N 3.3Å; L101-I103 PolarHBondContact O-N 2.92Å; I103-F107 WeakPolarHBondContact O-CA 3.07Å; I103-F107 WeakPolarHBondContact O-CB 3.39Å; I103-F107 PolarHBondContact O-N 2.86Å; I103-A110 HydrophobicContact CG2-CB 4.34Å
104I96.6Very high96.1Very high61 Ų6155.4 Ų55.431%0.31329%0.289SS..Hα-helixtrans-68.1-45.1176.7-70.9166.1000110.9R15 E100 L101 D102R15-I104 VanDerWaalsContact CZ-CD1 3.43Å; E100-I104 HydrophobicContact CG-CD1 3.85Å; E100-I104 HydrophobicContact CG-CG1 4.36Å; E100-I104 WeakPolarHBondContact O-CG1 3.19Å; E100-I104 PolarHBondContact O-N 3.42Å; E100-I104 VanDerWaalsContact O-N 3.1Å; L101-I104 HydrophobicContact CD1-CD1 4.35Å; L101-I104 WeakPolarHBondContact O-CB 3.12Å; L101-I104 PolarHBondContact O-N 3.28Å; L101-I104 VanDerWaalsContact O-N 3.11Å; D102-I104 VanDerWaalsContact C-N 3.35Å
105F96.5Very high96.2Very high143 Ų14354.9 Ų54.963%0.62729%0.291SS*.Hα-helixtrans-82.1-30.1-176.2-75.8-63.9000113.6L101L101-F105 HydrophobicContact CD1-CD2 3.91Å; L101-F105 HydrophobicContact CD1-CE2 3.43Å; L101-F105 VanDerWaalsContact CD1-CE2 3.43Å; L101-F105 HydrophobicContact CD1-CZ 4.32Å; L101-F105 HydrophobicContact CD2-CD2 4.46Å; L101-F105 HydrophobicContact CD2-CE2 3.96Å; L101-F105 HydrophobicContact CG-CD2 3.66Å; L101-F105 HydrophobicContact CG-CE2 3.47Å; L101-F105 VanDerWaalsContact CG-CE2 3.47Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 PolarHBondContact O-N 2.99Å
106N95.9Very high96.2Very high58 Ų5856.1 Ų56.131%0.3130%0.297SS..SBendtrans-120.449.9-178.1-46.4-80.5000110.1F95 D102 E108 K109 A110F95-N106 HydrophobicContact CE1-CB 3.77Å; F95-N106 HydrophobicContact CZ-CB 3.98Å; D102-N106 WeakPolarHBondContact O-CB 3.46Å; D102-N106 PolarHBondContact O-N 2.78Å; D102-N106 PolarHBondContact O-ND2 3.12Å; N106-E108 PolarHBondContact O-N 2.88Å; N106-K109 HydrophobicContact CB-CB 4.15Å; N106-K109 HydrophobicContact CB-CG 4.23Å; N106-K109 PolarHBondContact O-N 2.88Å; N106-A110 PolarHBondContact O-N 2.83Å; N106-A110 VanDerWaalsContact O-N 3.08Å
107F95.7Very high96.4Very high108 Ų10854 Ų5447%0.47427%0.273SS..Hα-helixtrans-64.1-35.1-174.571-89.2000111.1I103 A110 Y111I103-F107 WeakPolarHBondContact O-CA 3.07Å; I103-F107 WeakPolarHBondContact O-CB 3.39Å; I103-F107 PolarHBondContact O-N 2.86Å; F107-A110 WeakPolarHBondContact O-CB 3.46Å; F107-A110 PolarHBondContact O-N 2.99Å; F107-Y111 HydrophobicContact CD2-CD2 4.11Å; F107-Y111 HydrophobicContact CD2-CE2 4.05Å; F107-Y111 WeakPolarHBondContact O-CD2 3.29Å; F107-Y111 PolarHBondContact O-N 3.49Å
108E96.1Very high96.7Very high67 Ų6749.1 Ų49.131%0.31324%0.239SC..Hα-helixtrans-60.2-46.5174.464-70.2165.500111.8N106 A110 Y111 F112N106-E108 PolarHBondContact O-N 2.88Å; E108-A110 VanDerWaalsContact C-N 3.29Å; E108-A110 PolarHBondContact O-N 2.59Å; E108-Y111 WeakPolarHBondContact O-CA 3.48Å; E108-Y111 WeakPolarHBondContact O-CB 3.43Å; E108-Y111 PolarHBondContact O-N 2.75Å; E108-F112 HydrophobicContact CB-CZ 4.41Å; E108-F112 WeakPolarHBondContact O-CG 3.38Å; E108-F112 PolarHBondContact O-N 2.66Å
109K96.2Very high96.7Very high35 Ų3553.3 Ų53.315%0.15226%0.258CS..Hα-helixtrans-62.4-39174.7-61.9-58-167.6175.20110.9Y94 F95 N106 Y111 F112 I113 D139Y94-K109 HydrophobicContact CE1-CB 4.07Å; Y94-K109 HydrophobicContact CE1-CG 4.47Å; F95-K109 HydrophobicContact CZ-CB 4.26Å; N106-K109 HydrophobicContact CB-CB 4.15Å; N106-K109 HydrophobicContact CB-CG 4.23Å; N106-K109 PolarHBondContact O-N 2.88Å; K109-Y111 VanDerWaalsContact C-N 3.31Å; K109-Y111 PolarHBondContact O-N 3.15Å; K109-F112 HydrophobicContact CD-CD2 3.85Å; K109-F112 HydrophobicContact CD-CE2 4.21Å; K109-F112 PolarHBondContact O-N 3.32Å; K109-I113 WeakPolarHBondContact O-CD1 3.38Å; K109-I113 WeakPolarHBondContact O-CG1 3.48Å; K109-I113 PolarHBondContact O-N 2.87Å; K109-D139 IonicContact NZ-OD1 2.75Å; K109-D139 PolarHBondContact NZ-OD1 2.93Å
110A97.9Very high96.8Very high0 Ų052.4 Ų52.40%026%0.259CS..Hα-helixtrans-61.6-36.8173.500000112.9L16 Y87 L91 I103 N106 F107 E108 L114L16-A110 HydrophobicContact CD1-CB 4.13Å; Y87-A110 PolarHBondContact OH-O 2.96Å; L91-A110 HydrophobicContact CD2-CB 4.15Å; I103-A110 HydrophobicContact CG2-CB 4.34Å; N106-A110 PolarHBondContact O-N 2.83Å; N106-A110 VanDerWaalsContact O-N 3.08Å; F107-A110 WeakPolarHBondContact O-CB 3.46Å; F107-A110 PolarHBondContact O-N 2.99Å; E108-A110 VanDerWaalsContact C-N 3.29Å; E108-A110 PolarHBondContact O-N 2.59Å; A110-L114 WeakPolarHBondContact O-CB 3.48Å; A110-L114 PolarHBondContact O-N 2.82Å; A110-L114 VanDerWaalsContact O-N 3.09Å
111Y98Very high96.9Very high57 Ų5751 Ų5122%0.22425%0.253CS..Hα-helixtrans-66.8-42.6171.3-82.3-78.2000112.2L16 Q17 K18 F107 E108 K109 L114 D115L16-Y111 HydrophobicContact CD1-CD1 4.19Å; L16-Y111 HydrophobicContact CD1-CD2 4.25Å; L16-Y111 HydrophobicContact CD1-CE1 4.24Å; L16-Y111 HydrophobicContact CD1-CE2 4.27Å; L16-Y111 HydrophobicContact CD1-CG 4.2Å; L16-Y111 HydrophobicContact CD2-CD1 4.49Å; L16-Y111 HydrophobicContact CD2-CE1 3.99Å; L16-Y111 HydrophobicContact CG-CD1 4.19Å; L16-Y111 HydrophobicContact CG-CD2 4.44Å; L16-Y111 HydrophobicContact CG-CE1 3.73Å; L16-Y111 HydrophobicContact CG-CE2 3.99Å; Q17-Y111 PolarHBondContact N-OH 3.19Å; Q17-Y111 PolarHBondContact O-OH 3.06Å; K18-Y111 HydrophobicContact CD-CD1 4.28Å; K18-Y111 HydrophobicContact CD-CE1 4.34Å; F107-Y111 HydrophobicContact CD2-CD2 4.11Å; F107-Y111 HydrophobicContact CD2-CE2 4.05Å; F107-Y111 WeakPolarHBondContact O-CD2 3.29Å; F107-Y111 PolarHBondContact O-N 3.49Å; E108-Y111 WeakPolarHBondContact O-CA 3.48Å; E108-Y111 WeakPolarHBondContact O-CB 3.43Å; E108-Y111 PolarHBondContact O-N 2.75Å; K109-Y111 VanDerWaalsContact C-N 3.31Å; K109-Y111 PolarHBondContact O-N 3.15Å; Y111-L114 WeakPolarHBondContact O-CB 3.37Å; Y111-L114 PolarHBondContact O-N 2.88Å; Y111-L114 VanDerWaalsContact O-N 3.15Å; Y111-D115 WeakPolarHBondContact O-CB 3.25Å; Y111-D115 VanDerWaalsContact O-CG 3.29Å; Y111-D115 PolarHBondContact O-N 2.9Å
112F97Very high96.9Very high99 Ų9950.8 Ų50.843%0.43425%0.253SS..Hα-helixtrans-62.1-45.3177.7-59.5-23.7000111.7E108 K109 L114 D115 E116E108-F112 HydrophobicContact CB-CZ 4.41Å; E108-F112 WeakPolarHBondContact O-CG 3.38Å; E108-F112 PolarHBondContact O-N 2.66Å; K109-F112 HydrophobicContact CD-CD2 3.85Å; K109-F112 HydrophobicContact CD-CE2 4.21Å; K109-F112 PolarHBondContact O-N 3.32Å; F112-L114 PolarHBondContact O-N 2.97Å; F112-D115 CarbonylContact O-C 3.54Å; F112-D115 PolarHBondContact O-N 3.26Å; F112-D115 VanDerWaalsContact O-N 3.12Å; F112-E116 PolarHBondContact O-N 3.1Å
113I97.6Very high97Very high0 Ų051.5 Ų51.50%026%0.259CS..Hα-helixtrans-59.7-39.5174.7-60.9162000110.8Y87 L90 L91 Y94 F95 K109 F117 I135Y87-I113 HydrophobicContact CD2-CG2 4.36Å; Y87-I113 HydrophobicContact CE2-CB 4.34Å; Y87-I113 HydrophobicContact CE2-CG2 3.94Å; L90-I113 HydrophobicContact CB-CG2 3.88Å; L91-I113 HydrophobicContact CD2-CD1 3.93Å; Y94-I113 HydrophobicContact CD1-CD1 3.51Å; Y94-I113 HydrophobicContact CD2-CD1 4.18Å; Y94-I113 HydrophobicContact CD2-CG1 4.47Å; Y94-I113 HydrophobicContact CE1-CD1 4.04Å; Y94-I113 HydrophobicContact CG-CD1 3.57Å; Y94-I113 HydrophobicContact CG-CG1 4.31Å; F95-I113 HydrophobicContact CE2-CD1 4.13Å; K109-I113 WeakPolarHBondContact O-CD1 3.38Å; K109-I113 WeakPolarHBondContact O-CG1 3.48Å; K109-I113 PolarHBondContact O-N 2.87Å; I113-F117 WeakPolarHBondContact O-CB 3.35Å; I113-F117 PolarHBondContact O-N 3.12Å; I113-I135 HydrophobicContact CB-CD1 4.08Å; I113-I135 HydrophobicContact CG1-CD1 3.89Å; I113-I135 HydrophobicContact CG1-CG2 4.32Å; I113-I135 HydrophobicContact CG2-CD1 3.89Å
114L98Very high97Very high0 Ų055.2 Ų55.20%028%0.276CS..Hα-helixtrans-67-40.3177.5-172.364.2000111.4M5 L16 K18 Y87 A110 Y111 F112 F117 L118M5-L114 HydrophobicContact SD-CD1 3.81Å; M5-L114 HydrophobicContact SD-CD2 4.45Å; L16-L114 HydrophobicContact CD1-CD2 4.43Å; L16-L114 HydrophobicContact CD2-CD2 3.73Å; K18-L114 HydrophobicContact CB-CD2 3.73Å; K18-L114 HydrophobicContact CG-CD2 4.06Å; Y87-L114 HydrophobicContact CD1-CD1 4.28Å; Y87-L114 HydrophobicContact CD2-CD1 3.84Å; Y87-L114 HydrophobicContact CE1-CD1 4.11Å; Y87-L114 HydrophobicContact CE2-CB 3.71Å; Y87-L114 HydrophobicContact CE2-CD1 3.7Å; Y87-L114 HydrophobicContact CE2-CG 4.31Å; Y87-L114 HydrophobicContact CG-CD1 4.14Å; A110-L114 WeakPolarHBondContact O-CB 3.48Å; A110-L114 PolarHBondContact O-N 2.82Å; A110-L114 VanDerWaalsContact O-N 3.09Å; Y111-L114 WeakPolarHBondContact O-CB 3.37Å; Y111-L114 PolarHBondContact O-N 2.88Å; Y111-L114 VanDerWaalsContact O-N 3.15Å; F112-L114 PolarHBondContact O-N 2.97Å; L114-F117 PolarHBondContact O-N 2.88Å; L114-L118 HydrophobicContact CD1-CD1 3.63Å; L114-L118 HydrophobicContact CD1-CG 4.15Å; L114-L118 HydrophobicContact CG-CD1 4.48Å; L114-L118 PolarHBondContact O-N 3.14Å
115D97.5Very high96.9Very high55 Ų5554.5 Ų54.529%0.29427%0.273SS..Hα-helixtrans-77.2-21.4-177.5-72.5-6.3000112.9K18 Y111 F112 Q124K18-D115 WeakPolarHBondContact CE-OD1 3.11Å; K18-D115 IonicContact NZ-OD1 2.67Å; K18-D115 PolarHBondContact NZ-OD1 3.4Å; K18-D115 IonicContact NZ-OD2 3.33Å; K18-D115 PolarHBondContact NZ-OD2 2.81Å; Y111-D115 WeakPolarHBondContact O-CB 3.25Å; Y111-D115 VanDerWaalsContact O-CG 3.29Å; Y111-D115 PolarHBondContact O-N 2.9Å; F112-D115 CarbonylContact O-C 3.54Å; F112-D115 PolarHBondContact O-N 3.26Å; F112-D115 VanDerWaalsContact O-N 3.12Å; D115-Q124 PolarHBondContact O-NE2 3.41Å
116E96.9Very high96.8Very high71 Ų7153.2 Ų53.233%0.33228%0.277SS..Hα-helixtrans-80.5-16.4166.9-75.3-61.1138.400112.5F112 Q124 V131 A134 I135F112-E116 PolarHBondContact O-N 3.1Å; E116-Q124 PolarHBondContact O-NE2 3.38Å; E116-V131 HydrophobicContact CB-CG1 4.07Å; E116-A134 WeakPolarHBondContact OE2-CB 3.4Å; E116-I135 HydrophobicContact CB-CD1 4.24Å; E116-I135 HydrophobicContact CB-CG1 3.8Å; E116-I135 HydrophobicContact CG-CG1 3.75Å
117F98Very high96.8Very high5 Ų553 Ų532%0.02228%0.279CS..Hα-helixtrans-99.5-41.2177.2178.3-137.4000113.7L83 R86 Y87 L90 I113 L114 V123 Q124 V131L83-F117 HydrophobicContact CD2-CE1 4Å; L83-F117 HydrophobicContact CG-CE1 3.83Å; L83-F117 HydrophobicContact CG-CZ 3.94Å; R86-F117 HydrophobicContact CB-CE1 4.4Å; R86-F117 HydrophobicContact CB-CZ 3.93Å; R86-F117 HydrophobicContact CG-CE1 4.3Å; R86-F117 HydrophobicContact CG-CE2 3.86Å; R86-F117 HydrophobicContact CG-CZ 3.67Å; Y87-F117 HydrophobicContact CD2-CD1 4.28Å; L90-F117 HydrophobicContact CD1-CB 3.83Å; L90-F117 HydrophobicContact CD1-CD1 4.05Å; L90-F117 HydrophobicContact CD1-CD2 4.03Å; L90-F117 HydrophobicContact CD1-CG 3.7Å; I113-F117 WeakPolarHBondContact O-CB 3.35Å; I113-F117 PolarHBondContact O-N 3.12Å; L114-F117 PolarHBondContact O-N 2.88Å; F117-V123 HydrophobicContact CD2-CG1 4.31Å; F117-V123 HydrophobicContact CE2-CG1 3.75Å; F117-V123 HydrophobicContact CE2-CG2 4.43Å; F117-V123 HydrophobicContact CZ-CG1 4.45Å; F117-V123 HydrophobicContact CZ-CG2 4.35Å; F117-Q124 PolarHBondContact O-N 3.15Å; F117-Q124 VanDerWaalsContact O-N 3.1Å; F117-V131 HydrophobicContact CB-CG1 4.32Å; F117-V131 HydrophobicContact CD2-CG2 4.49Å
118L97.7Very high96.8Very high2 Ų251.1 Ų51.11%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-124.5135.6-173.3-58.2-177.3000110.9M2 M5 Y20 L83 L114 D122 V123M2-L118 HydrophobicContact CE-CD1 4.46Å; M5-L118 HydrophobicContact SD-CD1 4.42Å; Y20-L118 WeakPolarHBondContact OH-CB 3.38Å; Y20-L118 WeakPolarHBondContact OH-CD1 3.45Å; L83-L118 HydrophobicContact CD1-CD2 3.79Å; L83-L118 HydrophobicContact CD2-CD1 3.95Å; L83-L118 HydrophobicContact CD2-CD2 4.23Å; L83-L118 HydrophobicContact CG-CD2 4.03Å; L114-L118 HydrophobicContact CD1-CD1 3.63Å; L114-L118 HydrophobicContact CD1-CG 4.15Å; L114-L118 HydrophobicContact CG-CD1 4.48Å; L114-L118 PolarHBondContact O-N 3.14Å; L118-D122 WeakPolarHBondContact CA-O 3.48Å; L118-V123 HydrophobicContact CD2-CB 4.31Å; L118-V123 HydrophobicContact CD2-CG2 3.75Å
119M96.9Very high96.8Very high123 Ų12356.2 Ų56.261%0.60629%0.292SS*.EExtended strand (participates in β ladder)trans-135.6133.9174.6-167179-64.800110G121 D122 Q124M119-G121 PolarHBondContact O-N 2.87Å; M119-D122 PolarHBondContact N-O 3.06Å; M119-D122 PolarHBondContact O-N 2.87Å; M119-D122 VanDerWaalsContact O-O 3.1Å; M119-Q124 HydrophobicContact CB-CB 4.24Å; M119-Q124 VanDerWaalsContact CE-OE1 3.24Å
120G96.2Very high96.8Very high41 Ų4157 Ų5742%0.42330%0.302SS..THydrogen-bonded Turntrans61.815.4176.800000115.4M1M1-G120 WeakPolarHBondContact CE-O 3.37Å
121G96.4Very high96.8Very high4 Ų457.1 Ų57.14%0.04130%0.303CS..THydrogen-bonded Turntrans90.67.4-176.800000114.4M2 Y20 M119M2-G121 WeakPolarHBondContact CB-O 3.25Å; M2-G121 PolarHBondContact N-O 3.16Å; M2-G121 WeakPolarHBondContact O-CA 3.01Å; Y20-G121 VanDerWaalsContact CG-CA 3.46Å; M119-G121 PolarHBondContact O-N 2.87Å
122D96.8Very high96.7Very high89 Ų8956 Ų5648%0.47630%0.301SS..EExtended strand (participates in β ladder)trans-127.2162.1176.4-65.7-70.3000110.8L118 M119L118-D122 WeakPolarHBondContact CA-O 3.48Å; M119-D122 PolarHBondContact N-O 3.06Å; M119-D122 PolarHBondContact O-N 2.87Å; M119-D122 VanDerWaalsContact O-O 3.1Å
123V97.2Very high96.7Very high60 Ų6057 Ų5736%0.36431%0.305SS..EExtended strand (participates in β ladder)trans-75.4126.2177.9178.90000109.2L83 F117 L118 D125 T126L83-V123 HydrophobicContact CD1-CG2 3.55Å; L83-V123 HydrophobicContact CG-CG2 4.14Å; F117-V123 HydrophobicContact CD2-CG1 4.31Å; F117-V123 HydrophobicContact CE2-CG1 3.75Å; F117-V123 HydrophobicContact CE2-CG2 4.43Å; F117-V123 HydrophobicContact CZ-CG1 4.45Å; F117-V123 HydrophobicContact CZ-CG2 4.35Å; L118-V123 HydrophobicContact CD2-CB 4.31Å; L118-V123 HydrophobicContact CD2-CG2 3.75Å; V123-D125 WeakPolarHBondContact CG1-O 3.36Å; V123-T126 HydrophobicContact CG1-CG2 4.06Å
124Q96.9Very high96.7Very high82 Ų8258.4 Ų58.438%0.38332%0.316SS..SBendtrans-89.7-37.3176.880.7-170.7-56.700112.5D115 E116 F117 M119D115-Q124 PolarHBondContact O-NE2 3.41Å; E116-Q124 PolarHBondContact O-NE2 3.38Å; F117-Q124 PolarHBondContact O-N 3.15Å; F117-Q124 VanDerWaalsContact O-N 3.1Å; M119-Q124 HydrophobicContact CB-CB 4.24Å; M119-Q124 VanDerWaalsContact CE-OE1 3.24Å
125D94.8Very high96.6Very high46 Ų4658.6 Ų58.625%0.24632%0.317CS..  trans-136.1126.4179.8-165-29.5000110.2V123 S127 S130 V131V123-D125 WeakPolarHBondContact CG1-O 3.36Å; D125-S127 WeakPolarHBondContact OD1-CA 3.47Å; D125-S127 VanDerWaalsContact OD1-CB 3.31Å; D125-S127 WeakPolarHBondContact OD1-CB 3.38Å; D125-S127 PolarHBondContact OD1-N 3.2Å; D125-S130 WeakPolarHBondContact OD2-CB 3.5Å; D125-S130 PolarHBondContact OD2-OG 3.04Å; D125-V131 HydrophobicContact CB-CG2 3.79Å
126T95.6Very high96.5Very high116 Ų11661.9 Ų61.971%0.71233%0.331SS*.  trans-91.1-6.8-178.461.80000112.7R86 V123R86-T126 PolarHBondContact NH1-O 2.93Å; V123-T126 HydrophobicContact CG1-CG2 4.06Å
127S96Very high96.4Very high52 Ų5263.8 Ų63.836%0.36434%0.34SS..  trans-94.5112.5-179.7178.40000111D125 K129 S130 V131D125-S127 WeakPolarHBondContact OD1-CA 3.47Å; D125-S127 VanDerWaalsContact OD1-CB 3.31Å; D125-S127 WeakPolarHBondContact OD1-CB 3.38Å; D125-S127 PolarHBondContact OD1-N 3.2Å; S127-K129 PolarHBondContact O-N 3.13Å; S127-S130 PolarHBondContact O-N 3.4Å; S127-S130 VanDerWaalsContact O-N 3.1Å; S127-S130 PolarHBondContact OG-N 2.96Å; S127-V131 WeakPolarHBondContact O-CG2 3.33Å; S127-V131 PolarHBondContact O-N 3.33Å; S127-V131 VanDerWaalsContact O-N 3.15Å
128K94.7Very high96.3Very high70 Ų7065.9 Ų65.930%0.30436%0.358SS..Hα-helixtrans-53.1-40.1173.5-177.5163.863.9-171.90112.2E89 L90 L132E89-K128 HydrophobicContact CB-CD 3.92Å; E89-K128 IonicContact OE1-NZ 3.28Å; E89-K128 PolarHBondContact OE1-NZ 3.28Å; E89-K128 IonicContact OE2-NZ 2.71Å; E89-K128 PolarHBondContact OE2-NZ 2.8Å; L90-K128 HydrophobicContact CD2-CG 3.83Å; K128-L132 HydrophobicContact CG-CD1 3.82Å; K128-L132 WeakPolarHBondContact O-CB 3.36Å; K128-L132 WeakPolarHBondContact O-CD1 3.48Å; K128-L132 VanDerWaalsContact O-CG 3.25Å; K128-L132 WeakPolarHBondContact O-CG 3.37Å; K128-L132 PolarHBondContact O-N 3.16Å; K128-L132 VanDerWaalsContact O-N 3.13Å
129K96.1Very high96.1Very high173 Ų17366.9 Ų66.975%0.75236%0.364SS*.Hα-helixtrans-68.3-37.3-178.8-175.6179.3179-1780112.2S127 K133S127-K129 PolarHBondContact O-N 3.13Å; K129-K133 WeakPolarHBondContact O-CB 3.48Å; K129-K133 PolarHBondContact O-N 2.87Å; K129-K133 VanDerWaalsContact O-N 3.16Å
130S97Very high96Very high52 Ų5265.5 Ų65.536%0.36436%0.358SS..Hα-helixtrans-67.5-51.5-179.9-171.90000110.5D125 S127 L132 K133 A134D125-S130 WeakPolarHBondContact OD2-CB 3.5Å; D125-S130 PolarHBondContact OD2-OG 3.04Å; S127-S130 PolarHBondContact O-N 3.4Å; S127-S130 VanDerWaalsContact O-N 3.1Å; S127-S130 PolarHBondContact OG-N 2.96Å; S130-L132 PolarHBondContact O-N 3.13Å; S130-K133 PolarHBondContact O-N 3.19Å; S130-K133 VanDerWaalsContact O-N 3.13Å; S130-A134 PolarHBondContact O-N 2.77Å
131V97.1Very high95.8Very high3 Ų368.2 Ų68.22%0.01836%0.362CS..Hα-helixtrans-56.2-49177.5177.40000111.6L90 E116 F117 D125 S127 K133 A134 I135L90-V131 HydrophobicContact CD1-CB 4.49Å; L90-V131 HydrophobicContact CD1-CG1 3.87Å; L90-V131 HydrophobicContact CD2-CB 3.93Å; L90-V131 HydrophobicContact CD2-CG1 3.76Å; L90-V131 HydrophobicContact CG-CG1 4.47Å; E116-V131 HydrophobicContact CB-CG1 4.07Å; F117-V131 HydrophobicContact CB-CG1 4.32Å; F117-V131 HydrophobicContact CD2-CG2 4.49Å; D125-V131 HydrophobicContact CB-CG2 3.79Å; S127-V131 WeakPolarHBondContact O-CG2 3.33Å; S127-V131 PolarHBondContact O-N 3.33Å; S127-V131 VanDerWaalsContact O-N 3.15Å; V131-K133 VanDerWaalsContact C-N 3.31Å; V131-K133 PolarHBondContact O-N 2.97Å; V131-A134 PolarHBondContact O-N 3.39Å; V131-I135 HydrophobicContact CG1-CD1 3.7Å; V131-I135 WeakPolarHBondContact O-CD1 3.49Å; V131-I135 VanDerWaalsContact O-CG1 3.29Å; V131-I135 WeakPolarHBondContact O-CG1 3.37Å; V131-I135 PolarHBondContact O-N 2.68Å
132L96.2Very high95.5Very high33 Ų3371.4 Ų71.417%0.17338%0.376CS..Hα-helixtrans-61.3-38.7178.9-72.4165.3000113L90 K93 K128 S130 I135 E136L90-L132 HydrophobicContact CD2-CD1 4.39Å; L90-L132 HydrophobicContact CD2-CD2 4.07Å; L90-L132 HydrophobicContact CD2-CG 3.77Å; K93-L132 HydrophobicContact CB-CD1 3.91Å; K93-L132 HydrophobicContact CB-CD2 4.06Å; K93-L132 HydrophobicContact CG-CD1 3.36Å; K93-L132 HydrophobicContact CG-CD2 4.05Å; K93-L132 HydrophobicContact CG-CG 4.36Å; K128-L132 HydrophobicContact CG-CD1 3.82Å; K128-L132 WeakPolarHBondContact O-CB 3.36Å; K128-L132 WeakPolarHBondContact O-CD1 3.48Å; K128-L132 VanDerWaalsContact O-CG 3.25Å; K128-L132 WeakPolarHBondContact O-CG 3.37Å; K128-L132 PolarHBondContact O-N 3.16Å; K128-L132 VanDerWaalsContact O-N 3.13Å; S130-L132 PolarHBondContact O-N 3.13Å; L132-I135 PolarHBondContact O-N 3.35Å; L132-E136 WeakPolarHBondContact O-CB 3.5Å; L132-E136 PolarHBondContact O-N 2.81Å
133K97.3Very high95.2Very high120 Ų12073.4 Ų73.452%0.52238%0.383SS..Hα-helixtrans-66.9-40.2177.2-175.3-177.3175.8-170.70111.2K129 S130 V131 E136 Q137K129-K133 WeakPolarHBondContact O-CB 3.48Å; K129-K133 PolarHBondContact O-N 2.87Å; K129-K133 VanDerWaalsContact O-N 3.16Å; S130-K133 PolarHBondContact O-N 3.19Å; S130-K133 VanDerWaalsContact O-N 3.13Å; V131-K133 VanDerWaalsContact C-N 3.31Å; V131-K133 PolarHBondContact O-N 2.97Å; K133-E136 PolarHBondContact O-N 3Å; K133-Q137 VanDerWaalsContact O-CG 3.27Å; K133-Q137 WeakPolarHBondContact O-CG 3.46Å; K133-Q137 PolarHBondContact O-N 3.01Å
134A97.2Very high94.6Very high29 Ų2976.7 Ų76.724%0.2439%0.394CS..Hα-helixtrans-63.1-44.517700000111.4E116 S130 V131 Q137 A138E116-A134 WeakPolarHBondContact OE2-CB 3.4Å; S130-A134 PolarHBondContact O-N 2.77Å; V131-A134 PolarHBondContact O-N 3.39Å; A134-Q137 PolarHBondContact O-N 3.18Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 2.9Å
135I95.7Very high93.9Very high4 Ų477.3 Ų77.32%0.02140%0.4CS..Hα-helixtrans-61-46.4175.6-62.2155000111Y94 I113 E116 V131 L132 Q137 A138 D139Y94-I135 HydrophobicContact CD2-CG2 3.73Å; Y94-I135 HydrophobicContact CE2-CG2 3.42Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.42Å; I113-I135 HydrophobicContact CB-CD1 4.08Å; I113-I135 HydrophobicContact CG1-CD1 3.89Å; I113-I135 HydrophobicContact CG1-CG2 4.32Å; I113-I135 HydrophobicContact CG2-CD1 3.89Å; E116-I135 HydrophobicContact CB-CD1 4.24Å; E116-I135 HydrophobicContact CB-CG1 3.8Å; E116-I135 HydrophobicContact CG-CG1 3.75Å; V131-I135 HydrophobicContact CG1-CD1 3.7Å; V131-I135 WeakPolarHBondContact O-CD1 3.49Å; V131-I135 VanDerWaalsContact O-CG1 3.29Å; V131-I135 WeakPolarHBondContact O-CG1 3.37Å; V131-I135 PolarHBondContact O-N 2.68Å; L132-I135 PolarHBondContact O-N 3.35Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 2.99Å; I135-A138 PolarHBondContact O-N 3.4Å; I135-D139 PolarHBondContact O-N 2.97Å
136E95.3Very high93.2Very high124 Ų12481.5 Ų81.558%0.57942%0.418SS*.Hα-helixtrans-59.5-41.4177.5-177.9-179.6-163.900111.8L132 K133 L140L132-E136 WeakPolarHBondContact O-CB 3.5Å; L132-E136 PolarHBondContact O-N 2.81Å; K133-E136 PolarHBondContact O-N 3Å; E136-L140 VanDerWaalsContact O-CG 3.31Å; E136-L140 WeakPolarHBondContact O-CG 3.49Å; E136-L140 PolarHBondContact O-N 3.37Å
137Q95.9Very high92.3Very high111 Ų11177.8 Ų77.852%0.51940%0.397SS..Hα-helixtrans-67.6-38.3176.2-71.4179.2-45.500112.6K133 A134 I135 L141K133-Q137 VanDerWaalsContact O-CG 3.27Å; K133-Q137 WeakPolarHBondContact O-CG 3.46Å; K133-Q137 PolarHBondContact O-N 3.01Å; A134-Q137 PolarHBondContact O-N 3.18Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 2.99Å; Q137-L141 PolarHBondContact O-N 2.88Å; Q137-L141 VanDerWaalsContact O-N 3.1Å
138A95.3Very high91.3Very high49 Ų4980.1 Ų80.141%0.40541%0.411SS..Hα-helixtrans-67.3-39.9176.600000111.9A134 I135 L141 Q142A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 2.9Å; I135-A138 PolarHBondContact O-N 3.4Å; A138-L141 PolarHBondContact O-N 3.24Å; A138-Q142 PolarHBondContact O-N 3.42Å
139D94.2Very high90.5Very high24 Ų2486.1 Ų86.113%0.12843%0.432CS..Hα-helixtrans-64.5-43.3175.6-77.6-21.4000111.5Y94 K109 I135 L141 Q142 E143Y94-D139 WeakPolarHBondContact CE2-OD2 3.38Å; Y94-D139 VanDerWaalsContact CZ-OD2 3.3Å; Y94-D139 PolarHBondContact OH-OD2 2.98Å; K109-D139 IonicContact NZ-OD1 2.75Å; K109-D139 PolarHBondContact NZ-OD1 2.93Å; I135-D139 PolarHBondContact O-N 2.97Å; D139-L141 VanDerWaalsContact C-N 3.33Å; D139-L141 PolarHBondContact O-N 3.29Å; D139-Q142 PolarHBondContact O-N 3.14Å; D139-E143 WeakPolarHBondContact O-CG 3.29Å; D139-E143 PolarHBondContact O-N 3.46Å
140L94.3Very high89.4Confident93 Ų9378.8 Ų78.849%0.48740%0.403SS..Hα-helixtrans-60.1-41.9175.1-73.1171.3000112.2E136 E143 E144E136-L140 VanDerWaalsContact O-CG 3.31Å; E136-L140 WeakPolarHBondContact O-CG 3.49Å; E136-L140 PolarHBondContact O-N 3.37Å; L140-E143 PolarHBondContact O-N 2.68Å; L140-E144 WeakPolarHBondContact O-CG 3.31Å; L140-E144 PolarHBondContact O-N 3.33Å
141L92.8Very high88.3Confident98 Ų9879.1 Ų79.151%0.51340%0.402SS..Hα-helixtrans-65.2-41.1176.7-175.864.8000111.5Q137 A138 D139 E143 E144 D145Q137-L141 PolarHBondContact O-N 2.88Å; Q137-L141 VanDerWaalsContact O-N 3.1Å; A138-L141 PolarHBondContact O-N 3.24Å; D139-L141 VanDerWaalsContact C-N 3.33Å; D139-L141 PolarHBondContact O-N 3.29Å; L141-E143 VanDerWaalsContact C-N 3.32Å; L141-E143 PolarHBondContact O-N 3.2Å; L141-E144 WeakPolarHBondContact O-CB 3.36Å; L141-E144 PolarHBondContact O-N 3.15Å; L141-D145 PolarHBondContact O-N 2.77Å; L141-D145 VanDerWaalsContact O-N 3.13Å
142Q89.9Confident87.3Confident71 Ų7182.5 Ų82.533%0.33242%0.42SS..Hα-helixtrans-62.3-40.4175.6-169.9-171.1-29.400111.5A138 D139 E144 D145 E146A138-Q142 PolarHBondContact O-N 3.42Å; D139-Q142 PolarHBondContact O-N 3.14Å; Q142-E144 VanDerWaalsContact C-N 3.33Å; Q142-D145 PolarHBondContact O-N 2.97Å; Q142-E146 PolarHBondContact NE2-OE1 2.62Å; Q142-E146 WeakPolarHBondContact O-CG 3.44Å; Q142-E146 PolarHBondContact O-N 3.41Å; Q142-E146 VanDerWaalsContact O-N 3.09Å
143E89.1Confident86.5Confident131 Ų13187 Ų8761%0.61244%0.44SS*.Hα-helixtrans-65.3-34.4175.6-73-179.1-179.100112.8D139 L140 L141 E146 S147D139-E143 WeakPolarHBondContact O-CG 3.29Å; D139-E143 PolarHBondContact O-N 3.46Å; L140-E143 PolarHBondContact O-N 2.68Å; L141-E143 VanDerWaalsContact C-N 3.32Å; L141-E143 PolarHBondContact O-N 3.2Å; E143-E146 PolarHBondContact O-N 2.9Å; E143-S147 PolarHBondContact O-N 2.89Å
144E85.1Confident85.6Confident129 Ų12989 Ų8960%0.60345%0.451SS*.Hα-helixtrans-64-43.3174-75.7-179.9176.200111.7L140 L141 Q142 E146 S147 S150L140-E144 WeakPolarHBondContact O-CG 3.31Å; L140-E144 PolarHBondContact O-N 3.33Å; L141-E144 WeakPolarHBondContact O-CB 3.36Å; L141-E144 PolarHBondContact O-N 3.15Å; Q142-E144 VanDerWaalsContact C-N 3.33Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E144-E146 PolarHBondContact O-N 3.13Å; E144-S147 WeakPolarHBondContact O-CB 3.45Å; E144-S147 PolarHBondContact O-N 2.79Å; E144-S147 PolarHBondContact O-OG 2.77Å; E144-S150 PolarHBondContact O-OG 3.1Å
145D81.7Confident84.8Confident96 Ų9693.7 Ų93.751%0.51347%0.47SS..Hα-helixtrans-67.1-33.4177.5-72.9-22.2000112.4L141 Q142 S147 S150L141-D145 PolarHBondContact O-N 2.77Å; L141-D145 VanDerWaalsContact O-N 3.13Å; Q142-D145 PolarHBondContact O-N 2.97Å; D145-S147 VanDerWaalsContact C-N 3.26Å; D145-S147 PolarHBondContact O-N 2.99Å; D145-S150 PolarHBondContact O-OG 2.67Å
146E79.9Confident83.9Confident133 Ų13396.5 Ų96.562%0.62150%0.5SS*.THydrogen-bonded Turntrans-80.8-2.2176-69.5-179.4-162.700113.5Q142 E143 E144Q142-E146 PolarHBondContact NE2-OE1 2.62Å; Q142-E146 WeakPolarHBondContact O-CG 3.44Å; Q142-E146 PolarHBondContact O-N 3.41Å; Q142-E146 VanDerWaalsContact O-N 3.09Å; E143-E146 PolarHBondContact O-N 2.9Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E144-E146 PolarHBondContact O-N 3.13Å
147S78.3Confident83.1Confident39 Ų3996.3 Ų96.327%0.27350%0.502SS..SBendtrans-64.3146.8-179.582.10000111.7E143 E144 D145 R149 S150 V151E143-S147 PolarHBondContact O-N 2.89Å; E144-S147 WeakPolarHBondContact O-CB 3.45Å; E144-S147 PolarHBondContact O-N 2.79Å; E144-S147 PolarHBondContact O-OG 2.77Å; D145-S147 VanDerWaalsContact C-N 3.26Å; D145-S147 PolarHBondContact O-N 2.99Å; S147-R149 PolarHBondContact O-N 2.91Å; S147-S150 PolarHBondContact N-OG 2.84Å; S147-S150 PolarHBondContact O-N 3.48Å; S147-S150 PolarHBondContact O-OG 3.35Å; S147-S150 PolarHBondContact OG-N 2.95Å; S147-S150 PolarHBondContact OG-OG 3.1Å; S147-V151 WeakPolarHBondContact O-CG2 3.17Å; S147-V151 PolarHBondContact O-N 2.9Å
148P74.2Confident81.7Confident101 Ų10197 Ų9766%0.65653%0.526SS*.Hα-helixtrans-57.1-27.5177.3-26.834.2000113.3L152P148-L152 VanDerWaalsContact O-CB 3.24Å; P148-L152 WeakPolarHBondContact O-CB 3.5Å; P148-L152 VanDerWaalsContact O-CD1 3.25Å; P148-L152 WeakPolarHBondContact O-CD1 3.4Å; P148-L152 WeakPolarHBondContact O-CG 2.93Å; P148-L152 PolarHBondContact O-N 3.5Å
149R77.3Confident81Confident195 Ų19599.4 Ų99.474%0.73653%0.532SS*.Hα-helixtrans-71.7-50.5178.5-76-174177.9177.4-0.8111.9S147 V151 L152 E153S147-R149 PolarHBondContact O-N 2.91Å; R149-V151 VanDerWaalsContact C-N 3.3Å; R149-V151 PolarHBondContact O-N 3.45Å; R149-L152 PolarHBondContact O-N 3.2Å; R149-E153 WeakPolarHBondContact O-CB 3.36Å; R149-E153 WeakPolarHBondContact O-CG 3.06Å; R149-E153 PolarHBondContact O-N 3.01Å
150S73Confident80.3Confident20 Ų20103.3 Ų103.314%0.1455%0.553CS.*Hα-helixtrans-59.7-43.7176.7490000110.7E144 D145 S147 L152 E153 E154E144-S150 PolarHBondContact O-OG 3.1Å; D145-S150 PolarHBondContact O-OG 2.67Å; S147-S150 PolarHBondContact N-OG 2.84Å; S147-S150 PolarHBondContact O-N 3.48Å; S147-S150 PolarHBondContact O-OG 3.35Å; S147-S150 PolarHBondContact OG-N 2.95Å; S147-S150 PolarHBondContact OG-OG 3.1Å; S150-L152 PolarHBondContact O-N 3.43Å; S150-E153 PolarHBondContact O-N 3.03Å; S150-E154 WeakPolarHBondContact O-CB 3.02Å; S150-E154 WeakPolarHBondContact O-CG 3.47Å; S150-E154 PolarHBondContact O-N 3.02Å
151V74.2Confident79.5Confident58 Ų58103.9 Ų103.935%0.35256%0.557SS.*Hα-helixtrans-62-41.7176.21770000111.7S147 R149 E154 M155S147-V151 WeakPolarHBondContact O-CG2 3.17Å; S147-V151 PolarHBondContact O-N 2.9Å; R149-V151 VanDerWaalsContact C-N 3.3Å; R149-V151 PolarHBondContact O-N 3.45Å; V151-E154 PolarHBondContact O-N 3.03Å; V151-M155 HydrophobicContact CG1-SD 4.04Å; V151-M155 WeakPolarHBondContact O-CB 3.18Å; V151-M155 WeakPolarHBondContact O-CG 3.15Å; V151-M155 PolarHBondContact O-N 2.63Å
152L75.9Confident78.7Confident75 Ų75104.2 Ų104.239%0.39356%0.56SS.*Hα-helixtrans-67.5-38.8176.5-73.9167.9000112.2P148 R149 S150 M155 G156 L157 A158P148-L152 VanDerWaalsContact O-CB 3.24Å; P148-L152 WeakPolarHBondContact O-CB 3.5Å; P148-L152 VanDerWaalsContact O-CD1 3.25Å; P148-L152 WeakPolarHBondContact O-CD1 3.4Å; P148-L152 WeakPolarHBondContact O-CG 2.93Å; P148-L152 PolarHBondContact O-N 3.5Å; R149-L152 PolarHBondContact O-N 3.2Å; S150-L152 PolarHBondContact O-N 3.43Å; L152-M155 CarbonylContact O-C 3.56Å; L152-M155 PolarHBondContact O-N 3Å; L152-G156 PolarHBondContact O-N 2.73Å; L152-G156 VanDerWaalsContact O-N 3.11Å; L152-L157 HydrophobicContact CB-CB 4.48Å; L152-L157 HydrophobicContact CD2-CB 3.9Å; L152-L157 HydrophobicContact CD2-CD1 3.92Å; L152-L157 PolarHBondContact O-N 3.27Å; L152-A158 HydrophobicContact CB-CB 4.38Å
153E80.6Confident78Confident128 Ų128106.3 Ų106.360%0.59857%0.574SS**Hα-helixtrans-64.2-43.7175-74.8173.3-169.900111R149 S150 M155 G156 A158R149-E153 WeakPolarHBondContact O-CB 3.36Å; R149-E153 WeakPolarHBondContact O-CG 3.06Å; R149-E153 PolarHBondContact O-N 3.01Å; S150-E153 PolarHBondContact O-N 3.03Å; E153-M155 VanDerWaalsContact C-N 3.32Å; E153-M155 PolarHBondContact O-N 2.84Å; E153-G156 PolarHBondContact O-N 2.89Å; E153-A158 HydrophobicContact CG-CB 3.73Å
154E77.2Confident77.3Confident160 Ų160104.7 Ų104.775%0.74857%0.571SS**Hα-helixtrans-63.4-36173.7-75.2-170.5164.100112.7S150 V151 G156S150-E154 WeakPolarHBondContact O-CB 3.02Å; S150-E154 WeakPolarHBondContact O-CG 3.47Å; S150-E154 PolarHBondContact O-N 3.02Å; V151-E154 PolarHBondContact O-N 3.03Å; E154-G156 PolarHBondContact O-N 3.1Å
155M81Confident76.7Confident129 Ų129102.9 Ų102.964%0.63557%0.569SS**THydrogen-bonded Turntrans-77.2-3.5174.8-69-178.175.700113.3V151 L152 E153 L157V151-M155 HydrophobicContact CG1-SD 4.04Å; V151-M155 WeakPolarHBondContact O-CB 3.18Å; V151-M155 WeakPolarHBondContact O-CG 3.15Å; V151-M155 PolarHBondContact O-N 2.63Å; L152-M155 CarbonylContact O-C 3.56Å; L152-M155 PolarHBondContact O-N 3Å; E153-M155 VanDerWaalsContact C-N 3.32Å; E153-M155 PolarHBondContact O-N 2.84Å; M155-L157 VanDerWaalsContact C-N 3.31Å; M155-L157 HydrophobicContact CB-CD1 3.87Å; M155-L157 HydrophobicContact CB-CG 4.03Å; M155-L157 HydrophobicContact CE-CD1 4.16Å; M155-L157 PolarHBondContact O-N 2.91Å; M155-L157 HydrophobicContact SD-CD1 4.42Å
156G76.7Confident76.4Confident63 Ų63103.5 Ų103.565%0.64957%0.573SS**THydrogen-bonded Turntrans6827.5-178.500000113.9L152 E153 E154L152-G156 PolarHBondContact O-N 2.73Å; L152-G156 VanDerWaalsContact O-N 3.11Å; E153-G156 PolarHBondContact O-N 2.89Å; E154-G156 PolarHBondContact O-N 3.1Å
157L78.3Confident76.1Confident120 Ų120101 Ų10163%0.62857%0.569SS**  trans-103.63.4-176.3-64.7173.4000113.5L152 M155L152-L157 HydrophobicContact CB-CB 4.48Å; L152-L157 HydrophobicContact CD2-CB 3.9Å; L152-L157 HydrophobicContact CD2-CD1 3.92Å; L152-L157 PolarHBondContact O-N 3.27Å; M155-L157 VanDerWaalsContact C-N 3.31Å; M155-L157 HydrophobicContact CB-CD1 3.87Å; M155-L157 HydrophobicContact CB-CG 4.03Å; M155-L157 HydrophobicContact CE-CD1 4.16Å; M155-L157 PolarHBondContact O-N 2.91Å; M155-L157 HydrophobicContact SD-CD1 4.42Å
158A66.3Low75.9Confident124 Ų124106.6 Ų106.6100%1.02560%0.596SS**  trans-122.70179.700000112.3L152 E153L152-A158 HydrophobicContact CB-CB 4.38Å; E153-A158 HydrophobicContact CG-CB 3.73Å

Retrieved 158 of 158 residues in 1131.1 ms (Link to these results)

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