A0A0D9QV63_CHLSB Loading...

THAP domain containing 12

AlphaFold DB , UniProt , Accession A0A0D9QV63, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene THAP12, Length 761 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
1M43.8Very low71.4Confident181 Ų18153 Ų5389%0.89229%0.286SS*.  0163.60-67.4-172.8-176.300108.9N3M1-N3 PolarHBondContact O-N 2.82Å; M1-N3 VanDerWaalsContact O-N 3.07Å; M1-N3 PolarHBondContact O-OD1 3.16Å
2P50Low72Confident74 Ų7456.3 Ų56.348%0.48129%0.291SS..  trans-75.795.1176.230.1-33.8000110.2F4 H54P2-F4 PolarHBondContact O-N 3.03Å; P2-H54 WeakPolarHBondContact CG-O 3.2Å
3N62.7Low72.4Confident69 Ų6957.6 Ų57.637%0.36929%0.293SS..  trans-68.416.3-171.2-66.73.2000115.4M1 K13 S14M1-N3 PolarHBondContact O-N 2.82Å; M1-N3 VanDerWaalsContact O-N 3.07Å; M1-N3 PolarHBondContact O-OD1 3.16Å; N3-K13 CarbonylContact O-C 3.59Å; N3-K13 WeakPolarHBondContact O-CA 3.28Å; N3-K13 WeakPolarHBondContact O-CB 3.24Å; N3-S14 PolarHBondContact O-N 3.41Å
4F77.2Confident72Confident97 Ų9757.9 Ų57.943%0.42530%0.303SS..BIsolated β-bridgetrans-113146.8-168.8-66.4-94.1000113.4P2 A6 T11 R12 K13P2-F4 PolarHBondContact O-N 3.03Å; F4-A6 PolarHBondContact O-N 3.28Å; F4-T11 WeakPolarHBondContact CD1-O 3.33Å; F4-R12 WeakPolarHBondContact CA-O 3.46Å; F4-K13 HydrophobicContact CD1-CG 3.68Å; F4-K13 HydrophobicContact CE1-CD 4Å; F4-K13 HydrophobicContact CE1-CG 3.54Å; F4-K13 HydrophobicContact CG-CG 4.29Å; F4-K13 HydrophobicContact CZ-CD 4.07Å; F4-K13 HydrophobicContact CZ-CG 4.05Å
5C83.2Confident71.5Confident0 Ų060.4 Ų60.40%032%0.322CS..  trans-54132.1172.6-174.90000111.7A7 C10 R12 F21 R56 C58 H61 K101C5-A7 VanDerWaalsContact C-N 3.27Å; C5-A7 PolarHBondContact O-N 2.87Å; C5-C10 HydrophobicContact CB-CB 3.98Å; C5-R12 PolarHBondContact N-O 3.18Å; C5-F21 HydrophobicContact CB-CE1 3.94Å; C5-R56 CarbonylContact C-O 3.4Å; C5-R56 WeakPolarHBondContact CA-O 3.4Å; C5-C58 HydrophobicContact CB-CB 4.47Å; C5-C58 PolarHBondContact SG-N 3Å; C5-H61 VanDerWaalsContact SG-CD2 3.5Å; C5-H61 PolarHBondContact SG-NE2 3Å; C5-H61 VanDerWaalsContact SG-NE2 3.44Å; C5-K101 PolarHBondContact O-NZ 3.23Å
6A84.8Confident70.6Confident1 Ų165.2 Ų65.21%0.00834%0.342CS..SBendtrans-72.3-17.2-176.300000113.7F4 F24 R40 Y55 R56 L57F4-A6 PolarHBondContact O-N 3.28Å; A6-F24 HydrophobicContact CB-CE2 3.84Å; A6-F24 HydrophobicContact CB-CZ 4.23Å; A6-R40 VanDerWaalsContact O-CD 3.24Å; A6-R40 WeakPolarHBondContact O-CD 3.36Å; A6-R40 PolarHBondContact O-NH1 2.65Å; A6-Y55 HydrophobicContact CB-CD1 4.27Å; A6-R56 VanDerWaalsContact CB-O 3.31Å; A6-R56 WeakPolarHBondContact CB-O 3.37Å; A6-R56 PolarHBondContact N-O 3.03Å; A6-L57 HydrophobicContact CB-CD2 3.91Å; A6-L57 HydrophobicContact CB-CG 4.47Å
7A83.1Confident70Confident0 Ų063.2 Ų63.20%033%0.334CS..SBendtrans-59.3145.8179.200000112.2C5 C10 L57 H61 F86C5-A7 VanDerWaalsContact C-N 3.27Å; C5-A7 PolarHBondContact O-N 2.87Å; A7-C10 HydrophobicContact CB-CB 3.83Å; A7-C10 PolarHBondContact O-N 3.17Å; A7-L57 HydrophobicContact CB-CD2 3.85Å; A7-L57 VanDerWaalsContact N-CD2 3.32Å; A7-H61 WeakPolarHBondContact CB-CE1 3.36Å; A7-H61 VanDerWaalsContact CB-NE2 3.34Å; A7-H61 WeakPolarHBondContact CB-NE2 3.26Å; A7-F86 HydrophobicContact CB-CD1 3.87Å; A7-F86 HydrophobicContact CB-CE1 3.57Å
8P73.4Confident69.8Low3 Ų369.1 Ų69.12%0.01937%0.366CS..THydrogen-bonded Turntrans-56.8146.2167.725.6-34.5000110.6C10 C38 F86 L88 I103P8-C10 PolarHBondContact O-N 3.27Å; P8-C38 VanDerWaalsContact CD-O 3.23Å; P8-C38 WeakPolarHBondContact CD-O 3.36Å; P8-C38 WeakPolarHBondContact CG-O 3.32Å; P8-F86 HydrophobicContact CG-CD1 4.14Å; P8-L88 HydrophobicContact CG-CD2 3.9Å; P8-I103 HydrophobicContact CB-CD1 3.93Å; P8-I103 HydrophobicContact CB-CG1 3.59Å; P8-I103 HydrophobicContact CG-CG1 4.35Å
9N72.4Confident69.9Low44 Ų4469 Ų6924%0.23537%0.365CS..THydrogen-bonded Turntrans57.9-2.5-178.8-49.4-53.5000116.9T11 D87 S90 R100N9-T11 PolarHBondContact O-N 3.39Å; N9-D87 PolarHBondContact ND2-O 3.01Å; N9-S90 PolarHBondContact ND2-OG 2.98Å; N9-R100 PolarHBondContact OD1-NE 3.05Å; N9-R100 PolarHBondContact OD1-NH2 2.82Å
10C78.4Confident70.3Confident22 Ų2267.1 Ų67.115%0.14936%0.36CS..  trans-86.9113.1-179.4-163.10000112.1C5 A7 P8 H61C5-C10 HydrophobicContact CB-CB 3.98Å; A7-C10 HydrophobicContact CB-CB 3.83Å; A7-C10 PolarHBondContact O-N 3.17Å; P8-C10 PolarHBondContact O-N 3.27Å; C10-H61 PolarHBondContact SG-NE2 3.49Å
11T76.2Confident71Confident92 Ų9265.5 Ų65.556%0.56435%0.35SS*.  trans-90.8-4.5-176.852.70000114.4F4 N9F4-T11 WeakPolarHBondContact CD1-O 3.33Å; N9-T11 PolarHBondContact O-N 3.39Å
12R79Confident73Confident93 Ų9358 Ų5835%0.35131%0.312SS..  trans-64.4139.8-175.2-73.9-179164.1169.7-11.9112.6F4 C5 L19 F21F4-R12 WeakPolarHBondContact CA-O 3.46Å; C5-R12 PolarHBondContact N-O 3.18Å; R12-L19 VanDerWaalsContact CZ-CD1 3.46Å; R12-F21 HydrophobicContact CB-CZ 4.14Å
13K76.8Confident74.8Confident73 Ų7361.6 Ų61.632%0.31732%0.316SS..BIsolated β-bridgetrans-105.5142.3176.2-59.3-178.4-153.2155.20112N3 F4 T15 Q16 S17 F21N3-K13 CarbonylContact O-C 3.59Å; N3-K13 WeakPolarHBondContact O-CA 3.28Å; N3-K13 WeakPolarHBondContact O-CB 3.24Å; F4-K13 HydrophobicContact CD1-CG 3.68Å; F4-K13 HydrophobicContact CE1-CD 4Å; F4-K13 HydrophobicContact CE1-CG 3.54Å; F4-K13 HydrophobicContact CG-CG 4.29Å; F4-K13 HydrophobicContact CZ-CD 4.07Å; F4-K13 HydrophobicContact CZ-CG 4.05Å; K13-T15 PolarHBondContact O-N 2.87Å; K13-T15 VanDerWaalsContact O-N 3.12Å; K13-Q16 HydrophobicContact CB-CB 4.38Å; K13-Q16 PolarHBondContact O-N 3.34Å; K13-S17 WeakPolarHBondContact O-CB 3.41Å; K13-F21 VanDerWaalsContact C-CZ 3.46Å
14S67.6Low75.9Confident61 Ų6158.3 Ų58.343%0.42730%0.299SS..THydrogen-bonded Turntrans-66.1-9.4176.3-1660000114.2N3N3-S14 PolarHBondContact O-N 3.41Å
15T63.7Low76.3Confident96 Ų9654.6 Ų54.659%0.58928%0.284SS*.THydrogen-bonded Turntrans-111.26.2-179.863.60000113K13K13-T15 PolarHBondContact O-N 2.87Å; K13-T15 VanDerWaalsContact O-N 3.12Å
16Q58.2Low76.2Confident137 Ų13762.5 Ų62.564%0.6431%0.314SS*.SBendtrans-151.348.4-175-59.5-170.9-62.700110.5K13K13-Q16 HydrophobicContact CB-CB 4.38Å; K13-Q16 PolarHBondContact O-N 3.34Å
17S59Low76.3Confident31 Ų3166.5 Ų66.522%0.21734%0.335CS..  trans-159.8125.6-170.6174.10000112.5K13 L19K13-S17 WeakPolarHBondContact O-CB 3.41Å; S17-L19 PolarHBondContact O-N 3.19Å
18D67.1Low76.3Confident169 Ų16970.6 Ų70.690%0.90436%0.362SS*.SBendtrans-77.132.4-178.4-30.2-68.9000112.9
19L71.5Confident76.7Confident68 Ų6873 Ų7336%0.35638%0.382SS..SBendtrans-146.7136.1-169.1-66.7170.9000110.4R12 S17 F21R12-L19 VanDerWaalsContact CZ-CD1 3.46Å; S17-L19 PolarHBondContact O-N 3.19Å; L19-F21 VanDerWaalsContact O-CD2 3.22Å; L19-F21 WeakPolarHBondContact O-CD2 3.36Å; L19-F21 WeakPolarHBondContact O-CE2 3.41Å
20A77.9Confident77.2Confident31 Ų3173 Ų7326%0.25638%0.379SS..  trans-59148.3179.900000113.6F22 C58 A59 T75A20-F22 HydrophobicContact CB-CE1 4.07Å; A20-F22 HydrophobicContact CB-CZ 3.92Å; A20-C58 CarbonylContact O-C 3.23Å; A20-C58 WeakPolarHBondContact O-CA 3.49Å; A20-A59 PolarHBondContact O-N 3.03Å; A20-T75 HydrophobicContact CB-CG2 4.09Å
21F84.6Confident77.6Confident34 Ų3472.1 Ų72.115%0.14937%0.372CS..EExtended strand (participates in β ladder)trans-120.3111.8176.3-83.3-107.1000110.4C5 R12 K13 L19 R56 L57 C58C5-F21 HydrophobicContact CB-CE1 3.94Å; R12-F21 HydrophobicContact CB-CZ 4.14Å; K13-F21 VanDerWaalsContact C-CZ 3.46Å; L19-F21 VanDerWaalsContact O-CD2 3.22Å; L19-F21 WeakPolarHBondContact O-CD2 3.36Å; L19-F21 WeakPolarHBondContact O-CE2 3.41Å; F21-R56 HydrophobicContact CB-CB 4.27Å; F21-R56 HydrophobicContact CD1-CB 3.95Å; F21-L57 CarbonylContact C-O 3.5Å; F21-L57 WeakPolarHBondContact CA-O 3.24Å; F21-C58 HydrophobicContact CD1-CB 4.09Å; F21-C58 HydrophobicContact CD2-CB 4.16Å; F21-C58 HydrophobicContact CE1-CB 3.78Å; F21-C58 HydrophobicContact CE2-CB 3.81Å; F21-C58 HydrophobicContact CG-CB 4.29Å; F21-C58 HydrophobicContact CZ-CB 3.62Å
22F86.1Confident78Confident22 Ų2273.3 Ų73.310%0.09637%0.372CS..EExtended strand (participates in β ladder)trans-88.6143.4-177.4-53.9-63.5000111.4A20 W34 R56 L57 A59 F62 T75 L77A20-F22 HydrophobicContact CB-CE1 4.07Å; A20-F22 HydrophobicContact CB-CZ 3.92Å; F22-W34 HydrophobicContact CB-CH2 4.09Å; F22-W34 HydrophobicContact CB-CZ3 4.41Å; F22-R56 CarbonylContact O-C 3.56Å; F22-R56 WeakPolarHBondContact O-CA 3.41Å; F22-L57 PolarHBondContact N-O 3.44Å; F22-L57 PolarHBondContact O-N 2.78Å; F22-A59 HydrophobicContact CE2-CB 3.82Å; F22-A59 HydrophobicContact CZ-CB 4.39Å; F22-F62 AromaticContact CD2-CD2 3.99Å; F22-F62 HydrophobicContact CD2-CD2 3.99Å; F22-F62 AromaticContact CD2-CE2 3.74Å; F22-F62 HydrophobicContact CD2-CE2 3.74Å; F22-F62 HydrophobicContact CD2-CZ 4.38Å; F22-F62 HydrophobicContact CE2-CD2 4.23Å; F22-F62 HydrophobicContact CE2-CE2 4.43Å; F22-T75 WeakPolarHBondContact CE1-O 3.3Å; F22-T75 HydrophobicContact CZ-CG2 4.14Å; F22-L77 HydrophobicContact CB-CD1 3.78Å; F22-L77 HydrophobicContact CD1-CD1 4Å; F22-L77 HydrophobicContact CD1-CG 3.84Å; F22-L77 HydrophobicContact CD2-CD1 3.52Å; F22-L77 HydrophobicContact CD2-CD2 4.03Å; F22-L77 HydrophobicContact CD2-CG 3.7Å; F22-L77 HydrophobicContact CE1-CD1 4.48Å; F22-L77 HydrophobicContact CE1-CG 3.85Å; F22-L77 HydrophobicContact CE2-CD1 4.02Å; F22-L77 HydrophobicContact CE2-CD2 3.66Å; F22-L77 HydrophobicContact CE2-CG 3.67Å; F22-L77 HydrophobicContact CG-CD1 3.47Å; F22-L77 VanDerWaalsContact CG-CD1 3.47Å; F22-L77 HydrophobicContact CG-CG 3.76Å; F22-L77 HydrophobicContact CZ-CD1 4.48Å; F22-L77 HydrophobicContact CZ-CD2 3.96Å; F22-L77 HydrophobicContact CZ-CG 3.75Å
23R87.1Confident78.4Confident151 Ų15173.9 Ų73.957%0.5738%0.377SS*.EExtended strand (participates in β ladder)trans-78.1152.2171.4-46.2-164.2-177.1-169.14.3109.4W34R23-W34 WeakPolarHBondContact O-CH2 3.34Å; R23-W34 WeakPolarHBondContact O-CZ3 3.44Å
24F86.8Confident79Confident0 Ų070.6 Ų70.60%036%0.362CS..PPolyproline II helixtrans-60.1141.6166.2-81.3-108.7000109.7A6 W34 V35 L43 L51 N52 L57A6-F24 HydrophobicContact CB-CE2 3.84Å; A6-F24 HydrophobicContact CB-CZ 4.23Å; F24-W34 HydrophobicContact CD1-CB 3.84Å; F24-W34 HydrophobicContact CD1-CE3 4.11Å; F24-W34 HydrophobicContact CD2-CE3 4.46Å; F24-W34 HydrophobicContact CE1-CB 3.76Å; F24-W34 HydrophobicContact CE1-CE3 4.43Å; F24-W34 HydrophobicContact CG-CE3 4.12Å; F24-V35 HydrophobicContact CD1-CG2 4.25Å; F24-V35 HydrophobicContact CE1-CG2 3.86Å; F24-L43 HydrophobicContact CZ-CD1 4.18Å; F24-L51 HydrophobicContact CB-CB 3.79Å; F24-L51 HydrophobicContact CD1-CB 4.21Å; F24-L51 HydrophobicContact CD1-CD1 4.46Å; F24-L51 HydrophobicContact CG-CB 3.95Å; F24-N52 WeakPolarHBondContact O-CB 3.48Å; F24-N52 PolarHBondContact O-ND2 3.05Å; F24-L57 HydrophobicContact CE2-CD1 4.49Å; F24-L57 HydrophobicContact CE2-CG 4.16Å; F24-L57 HydrophobicContact CZ-CD1 4.31Å; F24-L57 HydrophobicContact CZ-CG 4.36Å
25P84.3Confident79.9Confident19 Ų1968.2 Ų68.212%0.12335%0.345CS..PPolyproline II helixtrans-56.4153.6175-25.534000112.6R30 C31 W34P25-R30 HydrophobicContact CB-CB 4.31Å; P25-R30 HydrophobicContact CB-CG 4.41Å; P25-R30 HydrophobicContact CG-CB 4.25Å; P25-R30 HydrophobicContact CG-CG 3.88Å; P25-C31 HydrophobicContact CB-CB 4.33Å; P25-C31 WeakPolarHBondContact O-CB 3.35Å; P25-C31 PolarHBondContact O-SG 3.1Å; P25-W34 HydrophobicContact CG-CD2 4.09Å; P25-W34 HydrophobicContact CG-CG 4.47Å; P25-W34 HydrophobicContact CG-CH2 4.44Å; P25-W34 HydrophobicContact CG-CZ2 3.93Å
26R82.6Confident80.8Confident166 Ų16668 Ų6863%0.62634%0.338SS*.SBendtrans-84.2-25.7165.7-70.1-168.5-175.3173.7-1.9112.8P28 P48 D49 N52R26-P28 WeakPolarHBondContact O-CD 3.27Å; R26-P48 WeakPolarHBondContact O-CB 3.45Å; R26-D49 WeakPolarHBondContact CD-OD1 3.33Å; R26-D49 IonicContact NE-OD1 2.76Å; R26-N52 HydrophobicContact CG-CB 4.05Å; R26-N52 PolarHBondContact NE-OD1 2.68Å
27D85.5Confident82Confident85 Ų8564.2 Ų64.246%0.45532%0.321SS..SBendtrans-55.6119.6169.5167.248.4000110.2A29 R30 C31D27-A29 PolarHBondContact O-N 2.76Å; D27-R30 HydrophobicContact CB-CB 4.37Å; D27-R30 WeakPolarHBondContact OD2-CA 3.18Å; D27-R30 WeakPolarHBondContact OD2-CB 3.35Å; D27-R30 PolarHBondContact OD2-N 2.63Å; D27-C31 WeakPolarHBondContact O-CB 3.29Å; D27-C31 PolarHBondContact O-N 3.08Å
28P83Confident83.1Confident85 Ų8562.7 Ų62.755%0.55231%0.311SS*.Hα-helixtrans-58.6-42.8-176.5-25.835000113.3R26 C31 Q32 P48R26-P28 WeakPolarHBondContact O-CD 3.27Å; P28-C31 PolarHBondContact O-N 3.31Å; P28-Q32 WeakPolarHBondContact O-CB 3.4Å; P28-Q32 PolarHBondContact O-N 3.45Å; P28-P48 HydrophobicContact CB-CG 4.25Å; P28-P48 HydrophobicContact CG-CG 4.36Å
29A82.4Confident83.6Confident53 Ų5358.5 Ų58.544%0.43828%0.283SS..Hα-helixtrans-68.6-43.9-172.900000112.4D27 K33D27-A29 PolarHBondContact O-N 2.76Å; A29-K33 WeakPolarHBondContact O-CG 3.45Å; A29-K33 PolarHBondContact O-N 3.02Å
30R83.8Confident84Confident46 Ų4655.8 Ų55.817%0.17427%0.268CS..Hα-helixtrans-73-34.4175-167.2-174.9172-169.9-0.1111.6P25 D27 K33 W34 R78 D79 A81P25-R30 HydrophobicContact CB-CB 4.31Å; P25-R30 HydrophobicContact CB-CG 4.41Å; P25-R30 HydrophobicContact CG-CB 4.25Å; P25-R30 HydrophobicContact CG-CG 3.88Å; D27-R30 HydrophobicContact CB-CB 4.37Å; D27-R30 WeakPolarHBondContact OD2-CA 3.18Å; D27-R30 WeakPolarHBondContact OD2-CB 3.35Å; D27-R30 PolarHBondContact OD2-N 2.63Å; R30-K33 PolarHBondContact O-N 2.76Å; R30-W34 PolarHBondContact O-N 3.41Å; R30-W34 VanDerWaalsContact O-N 3.12Å; R30-R78 PolarHBondContact NH2-O 2.91Å; R30-D79 PolarHBondContact NE-O 3.38Å; R30-D79 PolarHBondContact NH1-O 3.46Å; R30-D79 PolarHBondContact NH2-O 2.82Å; R30-A81 PolarHBondContact NE-O 2.76Å; R30-A81 PolarHBondContact NH2-O 2.9Å
31C86.6Confident83.9Confident2 Ų256.7 Ų56.71%0.01428%0.275CS..Hα-helixtrans-64.9-43.5175.4-164.20000111.7P25 D27 P28 K33 W34 V35 P48P25-C31 HydrophobicContact CB-CB 4.33Å; P25-C31 WeakPolarHBondContact O-CB 3.35Å; P25-C31 PolarHBondContact O-SG 3.1Å; D27-C31 WeakPolarHBondContact O-CB 3.29Å; D27-C31 PolarHBondContact O-N 3.08Å; P28-C31 PolarHBondContact O-N 3.31Å; C31-K33 PolarHBondContact O-N 2.84Å; C31-W34 WeakPolarHBondContact O-CB 3.02Å; C31-W34 PolarHBondContact O-N 2.91Å; C31-W34 VanDerWaalsContact O-N 3.14Å; C31-V35 PolarHBondContact O-N 3.4Å; C31-P48 HydrophobicContact CB-CB 4.19Å; C31-P48 HydrophobicContact CB-CG 4.37Å
32Q84.7Confident83.6Confident118 Ų11858.3 Ų58.355%0.55129%0.285SS*.Hα-helixtrans-57.8-48.9173.4-178.3178.4-23.700111.5P28 W34 V35 E36P28-Q32 WeakPolarHBondContact O-CB 3.4Å; P28-Q32 PolarHBondContact O-N 3.45Å; Q32-W34 PolarHBondContact O-N 3.1Å; Q32-V35 WeakPolarHBondContact O-CA 3.37Å; Q32-V35 WeakPolarHBondContact O-CB 3.35Å; Q32-V35 PolarHBondContact O-N 3.38Å; Q32-E36 HydrophobicContact CG-CG 4.26Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.47Å; Q32-E36 PolarHBondContact NE2-OE1 3.37Å; Q32-E36 WeakPolarHBondContact O-CG 3.22Å; Q32-E36 PolarHBondContact O-N 3.02Å
33K86Confident83.5Confident105 Ų10557.3 Ų57.346%0.45728%0.281SS..Hα-helixtrans-58.1-33.1176.1-69.9173.5-175178.70113.1A29 R30 C31 N37 I82A29-K33 WeakPolarHBondContact O-CG 3.45Å; A29-K33 PolarHBondContact O-N 3.02Å; R30-K33 PolarHBondContact O-N 2.76Å; C31-K33 PolarHBondContact O-N 2.84Å; K33-N37 WeakPolarHBondContact O-CB 3.42Å; K33-N37 PolarHBondContact O-N 3.42Å; K33-I82 HydrophobicContact CB-CD1 4.43Å; K33-I82 HydrophobicContact CB-CG2 4.38Å; K33-I82 HydrophobicContact CD-CD1 3.91Å
34W89.9Confident83.2Confident4 Ų454 Ų542%0.01527%0.272CS..Hα-helixtrans-70.3-37.2173-75.938.9000112.4F22 R23 F24 P25 R30 C31 Q32 C38 L57 F62 L77 A81 P83F22-W34 HydrophobicContact CB-CH2 4.09Å; F22-W34 HydrophobicContact CB-CZ3 4.41Å; R23-W34 WeakPolarHBondContact O-CH2 3.34Å; R23-W34 WeakPolarHBondContact O-CZ3 3.44Å; F24-W34 HydrophobicContact CD1-CB 3.84Å; F24-W34 HydrophobicContact CD1-CE3 4.11Å; F24-W34 HydrophobicContact CD2-CE3 4.46Å; F24-W34 HydrophobicContact CE1-CB 3.76Å; F24-W34 HydrophobicContact CE1-CE3 4.43Å; F24-W34 HydrophobicContact CG-CE3 4.12Å; P25-W34 HydrophobicContact CG-CD2 4.09Å; P25-W34 HydrophobicContact CG-CG 4.47Å; P25-W34 HydrophobicContact CG-CH2 4.44Å; P25-W34 HydrophobicContact CG-CZ2 3.93Å; R30-W34 PolarHBondContact O-N 3.41Å; R30-W34 VanDerWaalsContact O-N 3.12Å; C31-W34 WeakPolarHBondContact O-CB 3.02Å; C31-W34 PolarHBondContact O-N 2.91Å; C31-W34 VanDerWaalsContact O-N 3.14Å; Q32-W34 PolarHBondContact O-N 3.1Å; W34-C38 WeakPolarHBondContact O-CB 3.28Å; W34-C38 PolarHBondContact O-N 3.01Å; W34-C38 VanDerWaalsContact O-N 3.13Å; W34-C38 PolarHBondContact O-SG 3.47Å; W34-L57 HydrophobicContact CD2-CD1 4.47Å; W34-L57 HydrophobicContact CE3-CD1 3.72Å; W34-L57 HydrophobicContact CZ3-CD1 4.16Å; W34-F62 HydrophobicContact CD2-CZ 4.43Å; W34-F62 AromaticContact CE2-CE1 3.96Å; W34-F62 HydrophobicContact CE3-CZ 4.21Å; W34-F62 AromaticContact CH2-CE1 3.9Å; W34-F62 HydrophobicContact CH2-CE1 3.9Å; W34-F62 AromaticContact CH2-CZ 3.51Å; W34-F62 HydrophobicContact CH2-CZ 3.51Å; W34-F62 AromaticContact CZ2-CE1 3.6Å; W34-F62 HydrophobicContact CZ2-CE1 3.6Å; W34-F62 AromaticContact CZ2-CZ 3.72Å; W34-F62 HydrophobicContact CZ2-CZ 3.72Å; W34-F62 HydrophobicContact CZ3-CE1 4.46Å; W34-F62 AromaticContact CZ3-CZ 3.76Å; W34-F62 HydrophobicContact CZ3-CZ 3.76Å; W34-L77 HydrophobicContact CH2-CD1 3.57Å; W34-L77 HydrophobicContact CZ2-CD1 3.71Å; W34-A81 PolarHBondContact NE1-O 2.97Å; W34-A81 VanDerWaalsContact NE1-O 3.15Å; W34-P83 HydrophobicContact CB-CG 4.26Å; W34-P83 HydrophobicContact CD2-CG 4.13Å; W34-P83 VanDerWaalsContact CG-CD 3.46Å; W34-P83 HydrophobicContact CG-CG 3.95Å
35V86.3Confident82.9Confident11 Ų1161.3 Ų61.37%0.06731%0.311CS..Hα-helixtrans-68.2-47.8176.2169.50000111.2F24 C31 Q32 N37 C38 R39 L43 E44 L51F24-V35 HydrophobicContact CD1-CG2 4.25Å; F24-V35 HydrophobicContact CE1-CG2 3.86Å; C31-V35 PolarHBondContact O-N 3.4Å; Q32-V35 WeakPolarHBondContact O-CA 3.37Å; Q32-V35 WeakPolarHBondContact O-CB 3.35Å; Q32-V35 PolarHBondContact O-N 3.38Å; V35-N37 PolarHBondContact O-N 3.4Å; V35-C38 WeakPolarHBondContact O-CA 3.41Å; V35-C38 WeakPolarHBondContact O-CB 3.37Å; V35-C38 PolarHBondContact O-N 2.92Å; V35-R39 PolarHBondContact O-N 3.34Å; V35-L43 HydrophobicContact CG1-CB 3.92Å; V35-L43 HydrophobicContact CG2-CB 4.27Å; V35-E44 HydrophobicContact CG1-CG 3.99Å; V35-L51 HydrophobicContact CG2-CD1 3.56Å; V35-L51 HydrophobicContact CG2-CD2 4.44Å
36E83.1Confident83Confident92 Ų9263.4 Ų63.443%0.4332%0.318SS..Hα-helixtrans-55-49.8176.9-72170.6172.800111.2Q32 C38 R39Q32-E36 HydrophobicContact CG-CG 4.26Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.47Å; Q32-E36 PolarHBondContact NE2-OE1 3.37Å; Q32-E36 WeakPolarHBondContact O-CG 3.22Å; Q32-E36 PolarHBondContact O-N 3.02Å; E36-C38 VanDerWaalsContact C-N 3.3Å; E36-C38 PolarHBondContact O-N 3.44Å; E36-R39 WeakPolarHBondContact O-CG 3.16Å; E36-R39 PolarHBondContact O-N 3.2Å
37N83.6Confident83.2Confident56 Ų5658.8 Ų58.830%0.29931%0.308SS..Hα-helixtrans-68.9-26.1178-71.8-4.9000113.1K33 V35 R39 I82 P83 F86K33-N37 WeakPolarHBondContact O-CB 3.42Å; K33-N37 PolarHBondContact O-N 3.42Å; V35-N37 PolarHBondContact O-N 3.4Å; N37-R39 VanDerWaalsContact C-N 3.27Å; N37-R39 PolarHBondContact O-N 3.34Å; N37-I82 WeakPolarHBondContact ND2-CG2 3.46Å; N37-P83 WeakPolarHBondContact CB-O 3.43Å; N37-P83 PolarHBondContact ND2-O 3.35Å; N37-F86 HydrophobicContact CB-CD2 4.34Å; N37-F86 HydrophobicContact CB-CE2 3.74Å; N37-F86 HydrophobicContact CB-CZ 4.47Å; N37-F86 WeakPolarHBondContact O-CD2 3.33Å; N37-F86 WeakPolarHBondContact O-CE2 3.24Å
38C82.6Confident83.1Confident0 Ų056.3 Ų56.30%030%0.297CS..Hα-helixtrans-69.8-19.5170.4-73.80000113.6P8 W34 V35 E36 R40 L43 F86P8-C38 VanDerWaalsContact CD-O 3.23Å; P8-C38 WeakPolarHBondContact CD-O 3.36Å; P8-C38 WeakPolarHBondContact CG-O 3.32Å; W34-C38 WeakPolarHBondContact O-CB 3.28Å; W34-C38 PolarHBondContact O-N 3.01Å; W34-C38 VanDerWaalsContact O-N 3.13Å; W34-C38 PolarHBondContact O-SG 3.47Å; V35-C38 WeakPolarHBondContact O-CA 3.41Å; V35-C38 WeakPolarHBondContact O-CB 3.37Å; V35-C38 PolarHBondContact O-N 2.92Å; E36-C38 VanDerWaalsContact C-N 3.3Å; E36-C38 PolarHBondContact O-N 3.44Å; C38-R40 PolarHBondContact O-N 2.78Å; C38-R40 VanDerWaalsContact O-N 3.12Å; C38-L43 HydrophobicContact CB-CD1 4.15Å; C38-F86 HydrophobicContact CB-CE1 4.48Å
39R77.3Confident83Confident81 Ų8156.5 Ų56.531%0.30629%0.293SS..THydrogen-bonded Turntrans45.741.7179.3-61.3-170-179.8-169.4-3.1114.7V35 E36 N37 L88 I103 K104V35-R39 PolarHBondContact O-N 3.34Å; E36-R39 WeakPolarHBondContact O-CG 3.16Å; E36-R39 PolarHBondContact O-N 3.2Å; N37-R39 VanDerWaalsContact C-N 3.27Å; N37-R39 PolarHBondContact O-N 3.34Å; R39-L88 HydrophobicContact CB-CD2 4.34Å; R39-I103 HydrophobicContact CB-CG2 4.32Å; R39-I103 WeakPolarHBondContact O-CA 3.4Å; R39-K104 PolarHBondContact O-N 3.32Å
40R79.6Confident82.9Confident11 Ų1158.3 Ų58.34%0.04229%0.292CS..  trans-116.9109.1177.9-80.8178.662.1-156.3-4.4109.5A6 C38 D42 L43A6-R40 VanDerWaalsContact O-CD 3.24Å; A6-R40 WeakPolarHBondContact O-CD 3.36Å; A6-R40 PolarHBondContact O-NH1 2.65Å; C38-R40 PolarHBondContact O-N 2.78Å; C38-R40 VanDerWaalsContact O-N 3.12Å; R40-D42 IonicContact CZ-OD1 3.94Å; R40-D42 IonicContact CZ-OD2 2.98Å; R40-D42 IonicContact NE-OD1 3.5Å; R40-D42 PolarHBondContact NE-OD1 3.16Å; R40-D42 IonicContact NH2-OD1 3.7Å; R40-D42 PolarHBondContact NH2-OD1 3.12Å; R40-D42 IonicContact NH2-OD2 3.87Å; R40-D42 PolarHBondContact NH2-OD2 3.21Å; R40-D42 PolarHBondContact O-N 2.75Å; R40-D42 VanDerWaalsContact O-N 3.13Å; R40-L43 HydrophobicContact CB-CD1 4.08Å; R40-L43 HydrophobicContact CB-CG 3.99Å; R40-L43 WeakPolarHBondContact O-CB 3.46Å; R40-L43 PolarHBondContact O-N 3.01Å
41A75.8Confident82.9Confident49 Ų4956.3 Ų56.341%0.40529%0.285SS..G310 helixtrans-52.5-35.7176.900000112.7L43 E44A41-L43 PolarHBondContact O-N 3.06Å; A41-E44 PolarHBondContact O-N 2.74Å
42D78.3Confident82.8Confident68 Ų6857.2 Ų57.236%0.36429%0.29SS..G310 helixtrans-68.2-0.817886.9-84.3000114.9R40 K46R40-D42 IonicContact CZ-OD1 3.94Å; R40-D42 IonicContact CZ-OD2 2.98Å; R40-D42 IonicContact NE-OD1 3.5Å; R40-D42 PolarHBondContact NE-OD1 3.16Å; R40-D42 IonicContact NH2-OD1 3.7Å; R40-D42 PolarHBondContact NH2-OD1 3.12Å; R40-D42 IonicContact NH2-OD2 3.87Å; R40-D42 PolarHBondContact NH2-OD2 3.21Å; R40-D42 PolarHBondContact O-N 2.75Å; R40-D42 VanDerWaalsContact O-N 3.13Å; D42-K46 WeakPolarHBondContact O-CD 3.5Å; D42-K46 VanDerWaalsContact O-CE 3.27Å; D42-K46 WeakPolarHBondContact O-CE 3.48Å; D42-K46 PolarHBondContact O-NZ 2.84Å; D42-K46 IonicContact OD2-NZ 3.96Å
43L84Confident82.6Confident1 Ų158 Ų581%0.00529%0.291CS..G310 helixtrans-108.1-10172.2-57.7-176.4000113.2F24 V35 C38 R40 A41 L51 Y55F24-L43 HydrophobicContact CZ-CD1 4.18Å; V35-L43 HydrophobicContact CG1-CB 3.92Å; V35-L43 HydrophobicContact CG2-CB 4.27Å; C38-L43 HydrophobicContact CB-CD1 4.15Å; R40-L43 HydrophobicContact CB-CD1 4.08Å; R40-L43 HydrophobicContact CB-CG 3.99Å; R40-L43 WeakPolarHBondContact O-CB 3.46Å; R40-L43 PolarHBondContact O-N 3.01Å; A41-L43 PolarHBondContact O-N 3.06Å; L43-L51 HydrophobicContact CB-CD2 4.28Å; L43-L51 HydrophobicContact CD2-CD2 4Å; L43-Y55 HydrophobicContact CD2-CD1 3.81Å; L43-Y55 HydrophobicContact CD2-CD2 4.37Å; L43-Y55 HydrophobicContact CD2-CE1 3.67Å; L43-Y55 HydrophobicContact CD2-CE2 4.24Å; L43-Y55 HydrophobicContact CD2-CG 4.15Å
44E80.8Confident82.2Confident82 Ų8256.8 Ų56.838%0.38329%0.287SS..THydrogen-bonded Turntrans-73.1-40.4-175.2-64.4175.9177.100111.3V35 A41 K46 K104V35-E44 HydrophobicContact CG1-CG 3.99Å; A41-E44 PolarHBondContact O-N 2.74Å; E44-K46 PolarHBondContact O-N 3.48Å; E44-K46 VanDerWaalsContact O-N 3.13Å; E44-K104 WeakPolarHBondContact OE1-CD 3.27Å; E44-K104 IonicContact OE1-NZ 2.57Å; E44-K104 PolarHBondContact OE1-NZ 3.49Å; E44-K104 IonicContact OE2-NZ 3.46Å; E44-K104 PolarHBondContact OE2-NZ 3.43Å
45D81.4Confident81.8Confident153 Ų15359 Ų5982%0.81830%0.296SS*.THydrogen-bonded Turntrans-81.221.3-178.7-49.8-55.3000114.9
46K85Confident81.8Confident64 Ų6460.7 Ų60.728%0.27830%0.301SS..  trans-121.7137.2-169.4-73.2176-179154.50113.3D42 E44 L51 Y55D42-K46 WeakPolarHBondContact O-CD 3.5Å; D42-K46 VanDerWaalsContact O-CE 3.27Å; D42-K46 WeakPolarHBondContact O-CE 3.48Å; D42-K46 PolarHBondContact O-NZ 2.84Å; D42-K46 IonicContact OD2-NZ 3.96Å; E44-K46 PolarHBondContact O-N 3.48Å; E44-K46 VanDerWaalsContact O-N 3.13Å; K46-L51 HydrophobicContact CB-CD1 4.34Å; K46-L51 HydrophobicContact CB-CD2 3.97Å; K46-L51 HydrophobicContact CB-CG 3.92Å; K46-L51 HydrophobicContact CD-CD2 4.38Å; K46-Y55 HydrophobicContact CD-CE2 4.07Å; K46-Y55 PolarHBondContact NZ-OH 3.05Å
47T86.9Confident82Confident68 Ų6856.3 Ų56.342%0.41728%0.281SS..  trans-69.3153.4179.772.60000111.7D49 Q50 L51T47-D49 PolarHBondContact O-N 3.28Å; T47-D49 VanDerWaalsContact O-N 3.15Å; T47-Q50 PolarHBondContact O-N 3.19Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.13Å; T47-Q50 PolarHBondContact OG1-N 2.88Å; T47-L51 WeakPolarHBondContact O-CG 3.44Å; T47-L51 PolarHBondContact O-N 2.9Å
48P85.1Confident82.1Confident33 Ų3353.7 Ų53.721%0.21427%0.267CS..Hα-helixtrans-52.8-35.6176.3-29.236.5000113.6R26 P28 C31 L51 N52R26-P48 WeakPolarHBondContact O-CB 3.45Å; P28-P48 HydrophobicContact CB-CG 4.25Å; P28-P48 HydrophobicContact CG-CG 4.36Å; C31-P48 HydrophobicContact CB-CB 4.19Å; C31-P48 HydrophobicContact CB-CG 4.37Å; P48-L51 PolarHBondContact O-N 3.28Å; P48-N52 WeakPolarHBondContact O-CB 3.44Å; P48-N52 PolarHBondContact O-N 3.17Å
49D79.4Confident82.2Confident90 Ų9054.2 Ų54.248%0.48127%0.271SS..Hα-helixtrans-71.3-38.5175.6-70-61.2000113.8R26 T47 L51 N52 K53R26-D49 WeakPolarHBondContact CD-OD1 3.33Å; R26-D49 IonicContact NE-OD1 2.76Å; T47-D49 PolarHBondContact O-N 3.28Å; T47-D49 VanDerWaalsContact O-N 3.15Å; D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 2.73Å; D49-N52 PolarHBondContact O-N 2.89Å; D49-K53 WeakPolarHBondContact O-CB 3.48Å; D49-K53 PolarHBondContact O-N 3.08Å
50Q80.9Confident82.6Confident90 Ų9057 Ų5742%0.42129%0.286SS..Hα-helixtrans-62.8-40.2173.2-70.3170.12.100110.8T47 H54T47-Q50 PolarHBondContact O-N 3.19Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.13Å; T47-Q50 PolarHBondContact OG1-N 2.88Å; Q50-H54 WeakPolarHBondContact O-CB 3.39Å; Q50-H54 PolarHBondContact O-CD2 2.95Å; Q50-H54 PolarHBondContact O-N 3.1Å
51L83Confident82.9Confident4 Ų457.1 Ų57.12%0.02129%0.287CS..Hα-helixtrans-66.9-48.9175.6-66.4168.3000111.5F24 V35 L43 K46 T47 P48 D49 K53 H54 Y55F24-L51 HydrophobicContact CB-CB 3.79Å; F24-L51 HydrophobicContact CD1-CB 4.21Å; F24-L51 HydrophobicContact CD1-CD1 4.46Å; F24-L51 HydrophobicContact CG-CB 3.95Å; V35-L51 HydrophobicContact CG2-CD1 3.56Å; V35-L51 HydrophobicContact CG2-CD2 4.44Å; L43-L51 HydrophobicContact CB-CD2 4.28Å; L43-L51 HydrophobicContact CD2-CD2 4Å; K46-L51 HydrophobicContact CB-CD1 4.34Å; K46-L51 HydrophobicContact CB-CD2 3.97Å; K46-L51 HydrophobicContact CB-CG 3.92Å; K46-L51 HydrophobicContact CD-CD2 4.38Å; T47-L51 WeakPolarHBondContact O-CG 3.44Å; T47-L51 PolarHBondContact O-N 2.9Å; P48-L51 PolarHBondContact O-N 3.28Å; D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 2.73Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.35Å; L51-H54 PolarHBondContact O-N 3.23Å; L51-Y55 HydrophobicContact CD2-CD2 4.02Å; L51-Y55 HydrophobicContact CD2-CG 4.47Å; L51-Y55 PolarHBondContact O-N 3.13Å
52N85.3Confident83.5Confident21 Ų2155 Ų5511%0.11227%0.268CS..Hα-helixtrans-60.4-37.8176.4-178.6-96.3000112.3F24 R26 P48 D49 R56F24-N52 WeakPolarHBondContact O-CB 3.48Å; F24-N52 PolarHBondContact O-ND2 3.05Å; R26-N52 HydrophobicContact CG-CB 4.05Å; R26-N52 PolarHBondContact NE-OD1 2.68Å; P48-N52 WeakPolarHBondContact O-CB 3.44Å; P48-N52 PolarHBondContact O-N 3.17Å; D49-N52 PolarHBondContact O-N 2.89Å; N52-R56 PolarHBondContact O-NH1 3.11Å
53K79.9Confident83.6Confident134 Ų13455.7 Ų55.758%0.58327%0.269SS*.Hα-helixtrans-73.4-49.3179.1-165.7168.7-174.9172.70111.6D49 L51 R56D49-K53 WeakPolarHBondContact O-CB 3.48Å; D49-K53 PolarHBondContact O-N 3.08Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.35Å; K53-R56 PolarHBondContact O-NH1 2.99Å; K53-R56 PolarHBondContact O-NH2 3.15Å
54H77.6Confident83.1Confident80 Ų8061.7 Ų61.737%0.3731%0.306SS..Hα-helixtrans-107.7-13.1-164.7-61.4-70.9000117P2 Q50 L51P2-H54 WeakPolarHBondContact CG-O 3.2Å; Q50-H54 WeakPolarHBondContact O-CB 3.39Å; Q50-H54 PolarHBondContact O-CD2 2.95Å; Q50-H54 PolarHBondContact O-N 3.1Å; L51-H54 PolarHBondContact O-N 3.23Å
55Y82.7Confident82.8Confident50 Ų5061.3 Ų61.320%0.19631%0.313CS..  trans-123.6145.7-173.7-65.3-88.3000113.2A6 L43 K46 L51A6-Y55 HydrophobicContact CB-CD1 4.27Å; L43-Y55 HydrophobicContact CD2-CD1 3.81Å; L43-Y55 HydrophobicContact CD2-CD2 4.37Å; L43-Y55 HydrophobicContact CD2-CE1 3.67Å; L43-Y55 HydrophobicContact CD2-CE2 4.24Å; L43-Y55 HydrophobicContact CD2-CG 4.15Å; K46-Y55 HydrophobicContact CD-CE2 4.07Å; K46-Y55 PolarHBondContact NZ-OH 3.05Å; L51-Y55 HydrophobicContact CD2-CD2 4.02Å; L51-Y55 HydrophobicContact CD2-CG 4.47Å; L51-Y55 PolarHBondContact O-N 3.13Å
56R86Confident82.6Confident48 Ų4855.6 Ų55.618%0.18128%0.281CS..EExtended strand (participates in β ladder)trans-138.3145.3-175-56.4-69.5174.3-93.5-1.2111.6C5 A6 F21 F22 N52 K53C5-R56 CarbonylContact C-O 3.4Å; C5-R56 WeakPolarHBondContact CA-O 3.4Å; A6-R56 VanDerWaalsContact CB-O 3.31Å; A6-R56 WeakPolarHBondContact CB-O 3.37Å; A6-R56 PolarHBondContact N-O 3.03Å; F21-R56 HydrophobicContact CB-CB 4.27Å; F21-R56 HydrophobicContact CD1-CB 3.95Å; F22-R56 CarbonylContact O-C 3.56Å; F22-R56 WeakPolarHBondContact O-CA 3.41Å; N52-R56 PolarHBondContact O-NH1 3.11Å; K53-R56 PolarHBondContact O-NH1 2.99Å; K53-R56 PolarHBondContact O-NH2 3.15Å
57L87.1Confident82.3Confident0 Ų054.2 Ų54.20%028%0.277CS..EExtended strand (participates in β ladder)trans-114.6131.8169.4-71.4175.7000110.6A6 A7 F21 F22 F24 W34 F62 P83A6-L57 HydrophobicContact CB-CD2 3.91Å; A6-L57 HydrophobicContact CB-CG 4.47Å; A7-L57 HydrophobicContact CB-CD2 3.85Å; A7-L57 VanDerWaalsContact N-CD2 3.32Å; F21-L57 CarbonylContact C-O 3.5Å; F21-L57 WeakPolarHBondContact CA-O 3.24Å; F22-L57 PolarHBondContact N-O 3.44Å; F22-L57 PolarHBondContact O-N 2.78Å; F24-L57 HydrophobicContact CE2-CD1 4.49Å; F24-L57 HydrophobicContact CE2-CG 4.16Å; F24-L57 HydrophobicContact CZ-CD1 4.31Å; F24-L57 HydrophobicContact CZ-CG 4.36Å; W34-L57 HydrophobicContact CD2-CD1 4.47Å; W34-L57 HydrophobicContact CE3-CD1 3.72Å; W34-L57 HydrophobicContact CZ3-CD1 4.16Å; L57-F62 HydrophobicContact CB-CE2 3.87Å; L57-F62 HydrophobicContact CB-CZ 4.25Å; L57-F62 HydrophobicContact CD1-CE2 4.42Å; L57-F62 HydrophobicContact CD1-CZ 4.15Å; L57-P83 HydrophobicContact CD1-CB 3.97Å; L57-P83 HydrophobicContact CD1-CG 3.71Å
58C85.7Confident81.4Confident0 Ų053 Ų530%027%0.27CS..EExtended strand (participates in β ladder)trans-75.4153174.182.50000111.2C5 A20 F21 K60 H61C5-C58 HydrophobicContact CB-CB 4.47Å; C5-C58 PolarHBondContact SG-N 3Å; A20-C58 CarbonylContact O-C 3.23Å; A20-C58 WeakPolarHBondContact O-CA 3.49Å; F21-C58 HydrophobicContact CD1-CB 4.09Å; F21-C58 HydrophobicContact CD2-CB 4.16Å; F21-C58 HydrophobicContact CE1-CB 3.78Å; F21-C58 HydrophobicContact CE2-CB 3.81Å; F21-C58 HydrophobicContact CG-CB 4.29Å; F21-C58 HydrophobicContact CZ-CB 3.62Å; C58-K60 PolarHBondContact O-N 3.46Å; C58-H61 PolarHBondContact O-CD2 3.38Å; C58-H61 PolarHBondContact O-N 2.69Å
59A84.7Confident80.5Confident12 Ų1261.5 Ų61.510%0.09930%0.298CS..G310 helixtrans-53.9-21.7-17500000115.7A20 F22 H61 F62 I67A20-A59 PolarHBondContact O-N 3.03Å; F22-A59 HydrophobicContact CE2-CB 3.82Å; F22-A59 HydrophobicContact CZ-CB 4.39Å; A59-H61 PolarHBondContact O-N 2.91Å; A59-F62 PolarHBondContact O-N 2.82Å; A59-I67 HydrophobicContact CB-CD1 4.1Å
60K84.8Confident79.1Confident140 Ų14061.4 Ų61.461%0.60930%0.301SS*.G310 helixtrans-66.1-5.4178.7-146.4-149.8-179.1-172.20115C58C58-K60 PolarHBondContact O-N 3.46Å
61H87.4Confident77.5Confident13 Ų1358.8 Ų58.86%0.0629%0.293CS..G310 helixtrans-98.5-2.1178.5-62.4-63.9000113.8C5 A7 C10 C58 A59 P83 T84 I85 F86C5-H61 VanDerWaalsContact SG-CD2 3.5Å; C5-H61 PolarHBondContact SG-NE2 3Å; C5-H61 VanDerWaalsContact SG-NE2 3.44Å; A7-H61 WeakPolarHBondContact CB-CE1 3.36Å; A7-H61 VanDerWaalsContact CB-NE2 3.34Å; A7-H61 WeakPolarHBondContact CB-NE2 3.26Å; C10-H61 PolarHBondContact SG-NE2 3.49Å; C58-H61 PolarHBondContact O-CD2 3.38Å; C58-H61 PolarHBondContact O-N 2.69Å; A59-H61 PolarHBondContact O-N 2.91Å; H61-P83 HydrophobicContact CB-CB 4.2Å; H61-P83 CarbonylContact O-C 3.59Å; H61-P83 WeakPolarHBondContact O-CA 3.49Å; H61-P83 WeakPolarHBondContact O-CB 3.46Å; H61-T84 PolarHBondContact O-N 2.75Å; H61-I85 WeakPolarHBondContact CA-O 3.44Å; H61-I85 PolarHBondContact ND1-O 3.41Å; H61-I85 PolarHBondContact O-N 2.89Å; H61-F86 HydrophobicContact CB-CZ 4.49Å; H61-F86 AromaticContact ND1-CD1 3.99Å
62F86.9Confident75.7Confident5 Ų564.4 Ų64.42%0.02233%0.329CS..SBendtrans-117.3150.5179.2-58.3-95.4000109.5F22 W34 L57 A59 I67 L77 A81 P83 I85F22-F62 AromaticContact CD2-CD2 3.99Å; F22-F62 HydrophobicContact CD2-CD2 3.99Å; F22-F62 AromaticContact CD2-CE2 3.74Å; F22-F62 HydrophobicContact CD2-CE2 3.74Å; F22-F62 HydrophobicContact CD2-CZ 4.38Å; F22-F62 HydrophobicContact CE2-CD2 4.23Å; F22-F62 HydrophobicContact CE2-CE2 4.43Å; W34-F62 HydrophobicContact CD2-CZ 4.43Å; W34-F62 AromaticContact CE2-CE1 3.96Å; W34-F62 HydrophobicContact CE3-CZ 4.21Å; W34-F62 AromaticContact CH2-CE1 3.9Å; W34-F62 HydrophobicContact CH2-CE1 3.9Å; W34-F62 AromaticContact CH2-CZ 3.51Å; W34-F62 HydrophobicContact CH2-CZ 3.51Å; W34-F62 AromaticContact CZ2-CE1 3.6Å; W34-F62 HydrophobicContact CZ2-CE1 3.6Å; W34-F62 AromaticContact CZ2-CZ 3.72Å; W34-F62 HydrophobicContact CZ2-CZ 3.72Å; W34-F62 HydrophobicContact CZ3-CE1 4.46Å; W34-F62 AromaticContact CZ3-CZ 3.76Å; W34-F62 HydrophobicContact CZ3-CZ 3.76Å; L57-F62 HydrophobicContact CB-CE2 3.87Å; L57-F62 HydrophobicContact CB-CZ 4.25Å; L57-F62 HydrophobicContact CD1-CE2 4.42Å; L57-F62 HydrophobicContact CD1-CZ 4.15Å; A59-F62 PolarHBondContact O-N 2.82Å; F62-I67 HydrophobicContact CB-CD1 4.23Å; F62-I67 HydrophobicContact CB-CG1 4.27Å; F62-L77 HydrophobicContact CB-CD2 4.01Å; F62-L77 HydrophobicContact CD1-CD1 3.87Å; F62-L77 HydrophobicContact CD1-CD2 3.68Å; F62-L77 HydrophobicContact CD1-CG 4.46Å; F62-L77 HydrophobicContact CD2-CD1 4.4Å; F62-L77 HydrophobicContact CD2-CD2 4.19Å; F62-L77 HydrophobicContact CE1-CD1 3.45Å; F62-L77 VanDerWaalsContact CE1-CD1 3.45Å; F62-L77 HydrophobicContact CE1-CD2 4.18Å; F62-L77 HydrophobicContact CE1-CG 4.48Å; F62-L77 HydrophobicContact CE2-CD1 4.06Å; F62-L77 HydrophobicContact CG-CD1 4.32Å; F62-L77 HydrophobicContact CG-CD2 3.69Å; F62-L77 HydrophobicContact CZ-CD1 3.57Å; F62-A81 HydrophobicContact CD1-CB 4.5Å; F62-P83 HydrophobicContact CD1-CB 4.08Å; F62-P83 HydrophobicContact CE1-CB 3.7Å; F62-P83 HydrophobicContact CE1-CG 4.12Å; F62-P83 HydrophobicContact CE2-CB 4.19Å; F62-P83 HydrophobicContact CG-CB 4.49Å; F62-P83 HydrophobicContact CZ-CB 3.75Å; F62-P83 HydrophobicContact CZ-CG 4.18Å; F62-I85 WeakPolarHBondContact O-CD1 3.42Å
63E80.2Confident73.9Confident81 Ų8172.7 Ų72.738%0.37936%0.36SS..  trans-69.6145171.5-71.3158.5-135.400110.5S65 M66 T84 I85E63-S65 WeakPolarHBondContact CB-OG 3.39Å; E63-S65 PolarHBondContact O-N 3.39Å; E63-S65 VanDerWaalsContact O-N 3.16Å; E63-M66 HydrophobicContact CB-CE 4.32Å; E63-M66 HydrophobicContact CB-CG 4.25Å; E63-M66 HydrophobicContact CB-SD 4.43Å; E63-M66 HydrophobicContact CG-CE 4.49Å; E63-M66 WeakPolarHBondContact O-CB 3.26Å; E63-M66 PolarHBondContact O-N 2.98Å; E63-T84 WeakPolarHBondContact OE1-CB 3.29Å; E63-T84 PolarHBondContact OE1-OG1 3.44Å; E63-I85 HydrophobicContact CG-CD1 4.07Å; E63-I85 HydrophobicContact CG-CG1 4.36Å
64T75.3Confident72.7Confident127 Ų12769.1 Ų69.178%0.77934%0.343SS*.G310 helixtrans-58.8-31-177.7-42.80000112.5M66 I67T64-M66 PolarHBondContact O-N 3.48Å; T64-I67 PolarHBondContact O-N 2.7Å
65S73.8Confident72.4Confident75 Ų7567.7 Ų67.752%0.52434%0.34SS..G310 helixtrans-60-27.6172.849.20000114E63 R78E63-S65 WeakPolarHBondContact CB-OG 3.39Å; E63-S65 PolarHBondContact O-N 3.39Å; E63-S65 VanDerWaalsContact O-N 3.16Å; S65-R78 PolarHBondContact O-NE 3.23Å; S65-R78 VanDerWaalsContact O-NE 3.09Å
66M77.7Confident71.9Confident33 Ų3366.6 Ų66.616%0.16334%0.339CS..G310 helixtrans-88.3-4.8179.9-58.7-176.7-172.400113.1E63 T64 L77 R78 A81 I82 T84E63-M66 HydrophobicContact CB-CE 4.32Å; E63-M66 HydrophobicContact CB-CG 4.25Å; E63-M66 HydrophobicContact CB-SD 4.43Å; E63-M66 HydrophobicContact CG-CE 4.49Å; E63-M66 WeakPolarHBondContact O-CB 3.26Å; E63-M66 PolarHBondContact O-N 2.98Å; T64-M66 PolarHBondContact O-N 3.48Å; M66-L77 WeakPolarHBondContact O-CA 3.42Å; M66-R78 PolarHBondContact O-N 2.92Å; M66-A81 HydrophobicContact CB-CB 3.79Å; M66-A81 HydrophobicContact CG-CB 4.38Å; M66-A81 HydrophobicContact SD-CB 4.28Å; M66-I82 VanDerWaalsContact SD-O 3.39Å; M66-T84 HydrophobicContact CE-CG2 4.44Å
67I77.5Confident71.6Confident35 Ų3565.3 Ų65.318%0.17934%0.335CS..EExtended strand (participates in β ladder)trans-108.1115.7-175.7-62.9166.2000109.4A59 F62 T64 T75 V76 L77A59-I67 HydrophobicContact CB-CD1 4.1Å; F62-I67 HydrophobicContact CB-CD1 4.23Å; F62-I67 HydrophobicContact CB-CG1 4.27Å; T64-I67 PolarHBondContact O-N 2.7Å; I67-T75 HydrophobicContact CG2-CG2 3.32Å; I67-V76 CarbonylContact C-O 3.53Å; I67-V76 WeakPolarHBondContact CA-O 3.24Å; I67-L77 HydrophobicContact CG1-CD2 3.79Å
68C68.4Low71.1Confident42 Ų4271.8 Ų71.828%0.28436%0.36SS..EExtended strand (participates in β ladder)trans-95.4133.7173-65.90000110.3T70 V76 R78C68-T70 HydrophobicContact CB-CG2 4.48Å; C68-V76 PolarHBondContact N-O 3.35Å; C68-V76 PolarHBondContact O-N 3.36Å; C68-R78 VanDerWaalsContact SG-CG 3.55Å
69R65.4Low70.3Confident212 Ų21277.7 Ų77.780%0.839%0.391SS*.EExtended strand (participates in β ladder)trans-101.697.6168.5-68.8-179.1178.1179.9-1.4107.8
70T51.3Low69.9Low87 Ų8783 Ų8353%0.53442%0.418SS..  trans-84.3-18.4-177.861.40000112.2C68 R74 V76C68-T70 HydrophobicContact CB-CG2 4.48Å; T70-R74 PolarHBondContact N-O 2.78Å; T70-R74 VanDerWaalsContact N-O 3.12Å; T70-R74 WeakPolarHBondContact OG1-CD 3.43Å; T70-V76 HydrophobicContact CG2-CG2 4.3Å
71S46.1Very low69.7Low36 Ų3676.4 Ų76.425%0.25239%0.389SS..SBendtrans-155.2171.5168.879.80000110.1Y73 R74S71-Y73 PolarHBondContact O-N 2.97Å; S71-Y73 VanDerWaalsContact O-N 3.1Å; S71-Y73 PolarHBondContact OG-N 3.2Å; S71-R74 PolarHBondContact N-O 3.43Å; S71-R74 PolarHBondContact O-N 2.91Å; S71-R74 WeakPolarHBondContact OG-CB 3.45Å; S71-R74 PolarHBondContact OG-N 3.46Å; S71-R74 VanDerWaalsContact OG-N 3.09Å
72P46.3Very low69.6Low121 Ų12177.8 Ų77.879%0.78640%0.397SS*.SBendtrans-56.3-25.1175.1-25.935.9000113.9
73Y47.3Very low69.6Low196 Ų19677.6 Ų77.677%0.76940%0.396SS*.SBendtrans-105.2-17.5-176.3-50.4-71.3000113.3S71S71-Y73 PolarHBondContact O-N 2.97Å; S71-Y73 VanDerWaalsContact O-N 3.1Å; S71-Y73 PolarHBondContact OG-N 3.2Å
74R55.7Low69.8Low58 Ų5876.7 Ų76.722%0.21940%0.396CS..  trans-114.8109.6-174.5-154.5-169.3-148.8-15913.3111.9T70 S71 V76 V225T70-R74 PolarHBondContact N-O 2.78Å; T70-R74 VanDerWaalsContact N-O 3.12Å; T70-R74 WeakPolarHBondContact OG1-CD 3.43Å; S71-R74 PolarHBondContact N-O 3.43Å; S71-R74 PolarHBondContact O-N 2.91Å; S71-R74 WeakPolarHBondContact OG-CB 3.45Å; S71-R74 PolarHBondContact OG-N 3.46Å; S71-R74 VanDerWaalsContact OG-N 3.09Å; R74-V76 HydrophobicContact CG-CG2 3.94Å; R74-V225 PolarHBondContact NH1-O 3.38Å
75T70Confident70Confident50 Ų5074.5 Ų74.531%0.30738%0.379SS..EExtended strand (participates in β ladder)trans-108.2128.6170.5-58.90000109.2A20 F22 I67A20-T75 HydrophobicContact CB-CG2 4.09Å; F22-T75 WeakPolarHBondContact CE1-O 3.3Å; F22-T75 HydrophobicContact CZ-CG2 4.14Å; I67-T75 HydrophobicContact CG2-CG2 3.32Å
76V71.5Confident70.4Confident28 Ų2872.5 Ų72.517%0.1736%0.361CS..EExtended strand (participates in β ladder)trans-130.5161.4-169.1-172.40000109.6I67 C68 T70 R74 V225I67-V76 CarbonylContact C-O 3.53Å; I67-V76 WeakPolarHBondContact CA-O 3.24Å; C68-V76 PolarHBondContact N-O 3.35Å; C68-V76 PolarHBondContact O-N 3.36Å; T70-V76 HydrophobicContact CG2-CG2 4.3Å; R74-V76 HydrophobicContact CG-CG2 3.94Å; V76-V225 HydrophobicContact CG1-CG1 3.91Å
77L80.8Confident69.9Low20 Ų2075.1 Ų75.111%0.10538%0.375CS..EExtended strand (participates in β ladder)trans-104.7142.4171-72.6174.9000111F22 W34 F62 M66 I67 A81F22-L77 HydrophobicContact CB-CD1 3.78Å; F22-L77 HydrophobicContact CD1-CD1 4Å; F22-L77 HydrophobicContact CD1-CG 3.84Å; F22-L77 HydrophobicContact CD2-CD1 3.52Å; F22-L77 HydrophobicContact CD2-CD2 4.03Å; F22-L77 HydrophobicContact CD2-CG 3.7Å; F22-L77 HydrophobicContact CE1-CD1 4.48Å; F22-L77 HydrophobicContact CE1-CG 3.85Å; F22-L77 HydrophobicContact CE2-CD1 4.02Å; F22-L77 HydrophobicContact CE2-CD2 3.66Å; F22-L77 HydrophobicContact CE2-CG 3.67Å; F22-L77 HydrophobicContact CG-CD1 3.47Å; F22-L77 VanDerWaalsContact CG-CD1 3.47Å; F22-L77 HydrophobicContact CG-CG 3.76Å; F22-L77 HydrophobicContact CZ-CD1 4.48Å; F22-L77 HydrophobicContact CZ-CD2 3.96Å; F22-L77 HydrophobicContact CZ-CG 3.75Å; W34-L77 HydrophobicContact CH2-CD1 3.57Å; W34-L77 HydrophobicContact CZ2-CD1 3.71Å; F62-L77 HydrophobicContact CB-CD2 4.01Å; F62-L77 HydrophobicContact CD1-CD1 3.87Å; F62-L77 HydrophobicContact CD1-CD2 3.68Å; F62-L77 HydrophobicContact CD1-CG 4.46Å; F62-L77 HydrophobicContact CD2-CD1 4.4Å; F62-L77 HydrophobicContact CD2-CD2 4.19Å; F62-L77 HydrophobicContact CE1-CD1 3.45Å; F62-L77 VanDerWaalsContact CE1-CD1 3.45Å; F62-L77 HydrophobicContact CE1-CD2 4.18Å; F62-L77 HydrophobicContact CE1-CG 4.48Å; F62-L77 HydrophobicContact CE2-CD1 4.06Å; F62-L77 HydrophobicContact CG-CD1 4.32Å; F62-L77 HydrophobicContact CG-CD2 3.69Å; F62-L77 HydrophobicContact CZ-CD1 3.57Å; M66-L77 WeakPolarHBondContact O-CA 3.42Å; I67-L77 HydrophobicContact CG1-CD2 3.79Å; L77-A81 HydrophobicContact CB-CB 3.88Å; L77-A81 HydrophobicContact CD2-CB 4.11Å; L77-A81 HydrophobicContact CG-CB 4.4Å
78R76.1Confident69.2Low136 Ų13675.3 Ų75.351%0.51338%0.376SS..  trans-60.4157.4170.4-65.4-174.2179.4-153.9-0.9111.5R30 S65 M66 C68 N80 A81R30-R78 PolarHBondContact NH2-O 2.91Å; S65-R78 PolarHBondContact O-NE 3.23Å; S65-R78 VanDerWaalsContact O-NE 3.09Å; M66-R78 PolarHBondContact O-N 2.92Å; C68-R78 VanDerWaalsContact SG-CG 3.55Å; R78-N80 VanDerWaalsContact C-N 3.29Å; R78-N80 PolarHBondContact O-N 3.46Å; R78-A81 HydrophobicContact CB-CB 4.49Å; R78-A81 WeakPolarHBondContact O-CB 3.36Å; R78-A81 PolarHBondContact O-N 2.79Å
79D68.6Low68.6Low125 Ų12577.8 Ų77.867%0.66839%0.39SS*.THydrogen-bonded Turntrans-69.5-23.5-175.1-66.5-54.6000114.8R30R30-D79 PolarHBondContact NE-O 3.38Å; R30-D79 PolarHBondContact NH1-O 3.46Å; R30-D79 PolarHBondContact NH2-O 2.82Å
80N75.9Confident68Low124 Ų12469 Ų6966%0.66336%0.361SS*.THydrogen-bonded Turntrans-880.117064.8-4.5000113.9R78 I82R78-N80 VanDerWaalsContact C-N 3.29Å; R78-N80 PolarHBondContact O-N 3.46Å; N80-I82 PolarHBondContact O-N 3.37Å
81A81.5Confident68.1Low0 Ų068.8 Ų68.80%035%0.354CS..  trans-67.1129.5-174.400000112.6R30 W34 F62 M66 L77 R78R30-A81 PolarHBondContact NE-O 2.76Å; R30-A81 PolarHBondContact NH2-O 2.9Å; W34-A81 PolarHBondContact NE1-O 2.97Å; W34-A81 VanDerWaalsContact NE1-O 3.15Å; F62-A81 HydrophobicContact CD1-CB 4.5Å; M66-A81 HydrophobicContact CB-CB 3.79Å; M66-A81 HydrophobicContact CG-CB 4.38Å; M66-A81 HydrophobicContact SD-CB 4.28Å; L77-A81 HydrophobicContact CB-CB 3.88Å; L77-A81 HydrophobicContact CD2-CB 4.11Å; L77-A81 HydrophobicContact CG-CB 4.4Å; R78-A81 HydrophobicContact CB-CB 4.49Å; R78-A81 WeakPolarHBondContact O-CB 3.36Å; R78-A81 PolarHBondContact O-N 2.79Å
82I85.6Confident68.4Low43 Ų4373.2 Ų73.222%0.22138%0.375CS..  trans-131.4137.7178.2-64.1166.9000106.4K33 N37 M66 N80 T84K33-I82 HydrophobicContact CB-CD1 4.43Å; K33-I82 HydrophobicContact CB-CG2 4.38Å; K33-I82 HydrophobicContact CD-CD1 3.91Å; N37-I82 WeakPolarHBondContact ND2-CG2 3.46Å; M66-I82 VanDerWaalsContact SD-O 3.39Å; N80-I82 PolarHBondContact O-N 3.37Å; I82-T84 PolarHBondContact O-N 3.32Å
83P86.1Confident68.5Low0 Ų074.2 Ų74.20%037%0.373CS..  trans-70.3125177.330.9-34.7000109.1W34 N37 L57 H61 F62 F86W34-P83 HydrophobicContact CB-CG 4.26Å; W34-P83 HydrophobicContact CD2-CG 4.13Å; W34-P83 VanDerWaalsContact CG-CD 3.46Å; W34-P83 HydrophobicContact CG-CG 3.95Å; N37-P83 WeakPolarHBondContact CB-O 3.43Å; N37-P83 PolarHBondContact ND2-O 3.35Å; L57-P83 HydrophobicContact CD1-CB 3.97Å; L57-P83 HydrophobicContact CD1-CG 3.71Å; H61-P83 HydrophobicContact CB-CB 4.2Å; H61-P83 CarbonylContact O-C 3.59Å; H61-P83 WeakPolarHBondContact O-CA 3.49Å; H61-P83 WeakPolarHBondContact O-CB 3.46Å; F62-P83 HydrophobicContact CD1-CB 4.08Å; F62-P83 HydrophobicContact CE1-CB 3.7Å; F62-P83 HydrophobicContact CE1-CG 4.12Å; F62-P83 HydrophobicContact CE2-CB 4.19Å; F62-P83 HydrophobicContact CG-CB 4.49Å; F62-P83 HydrophobicContact CZ-CB 3.75Å; F62-P83 HydrophobicContact CZ-CG 4.18Å; P83-F86 HydrophobicContact CB-CE2 3.68Å; P83-F86 HydrophobicContact CB-CZ 3.71Å; P83-F86 HydrophobicContact CG-CE2 4.01Å; P83-F86 HydrophobicContact CG-CZ 3.93Å; P83-F86 WeakPolarHBondContact O-CE2 3.24Å
84T83.9Confident68.5Low63 Ų6369.6 Ų69.639%0.38736%0.362SS..  trans-113.4-20.3179.851.50000112.4H61 E63 M66 I82 F86H61-T84 PolarHBondContact O-N 2.75Å; E63-T84 WeakPolarHBondContact OE1-CB 3.29Å; E63-T84 PolarHBondContact OE1-OG1 3.44Å; M66-T84 HydrophobicContact CE-CG2 4.44Å; I82-T84 PolarHBondContact O-N 3.32Å; T84-F86 PolarHBondContact O-N 3.31Å
85I81.4Confident68.1Low81 Ų8171.9 Ų71.942%0.41538%0.384SS..  trans-98.893.7-168-49.4-178.3000110.8H61 F62 E63H61-I85 WeakPolarHBondContact CA-O 3.44Å; H61-I85 PolarHBondContact ND1-O 3.41Å; H61-I85 PolarHBondContact O-N 2.89Å; F62-I85 WeakPolarHBondContact O-CD1 3.42Å; E63-I85 HydrophobicContact CG-CD1 4.07Å; E63-I85 HydrophobicContact CG-CG1 4.36Å
86F81.2Confident67Low32 Ų3277.3 Ų77.314%0.1441%0.406CS..  trans-127.1128.7178.1-67.3-86.2000112.7A7 P8 N37 C38 H61 P83 T84 L88A7-F86 HydrophobicContact CB-CD1 3.87Å; A7-F86 HydrophobicContact CB-CE1 3.57Å; P8-F86 HydrophobicContact CG-CD1 4.14Å; N37-F86 HydrophobicContact CB-CD2 4.34Å; N37-F86 HydrophobicContact CB-CE2 3.74Å; N37-F86 HydrophobicContact CB-CZ 4.47Å; N37-F86 WeakPolarHBondContact O-CD2 3.33Å; N37-F86 WeakPolarHBondContact O-CE2 3.24Å; C38-F86 HydrophobicContact CB-CE1 4.48Å; H61-F86 HydrophobicContact CB-CZ 4.49Å; H61-F86 AromaticContact ND1-CD1 3.99Å; P83-F86 HydrophobicContact CB-CE2 3.68Å; P83-F86 HydrophobicContact CB-CZ 3.71Å; P83-F86 HydrophobicContact CG-CE2 4.01Å; P83-F86 HydrophobicContact CG-CZ 3.93Å; P83-F86 WeakPolarHBondContact O-CE2 3.24Å; T84-F86 PolarHBondContact O-N 3.31Å; F86-L88 HydrophobicContact CB-CD1 4.46Å; F86-L88 HydrophobicContact CB-CD2 4.16Å; F86-L88 HydrophobicContact CB-CG 3.95Å; F86-L88 PolarHBondContact O-N 3.32Å; F86-L88 VanDerWaalsContact O-N 3.14Å
87D67.8Low65.6Low88 Ų8879.7 Ų79.747%0.47142%0.423SS..  trans-78.793.6166179.9-18000108.8N9 T89 S90N9-D87 PolarHBondContact ND2-O 3.01Å; D87-T89 PolarHBondContact OD1-N 3.49Å; D87-S90 VanDerWaalsContact CG-OG 3.23Å; D87-S90 WeakPolarHBondContact OD1-CB 3.48Å; D87-S90 PolarHBondContact OD1-N 3.33Å; D87-S90 PolarHBondContact OD1-OG 3.3Å; D87-S90 WeakPolarHBondContact OD2-CB 3.48Å; D87-S90 PolarHBondContact OD2-OG 3.48Å
88L63.1Low63.8Low39 Ų3990.1 Ų90.120%0.20446%0.461CS..  trans-92.9-23.9177.8-63.1171.3000112.5P8 R39 F86 H91 I103P8-L88 HydrophobicContact CG-CD2 3.9Å; R39-L88 HydrophobicContact CB-CD2 4.34Å; F86-L88 HydrophobicContact CB-CD1 4.46Å; F86-L88 HydrophobicContact CB-CD2 4.16Å; F86-L88 HydrophobicContact CB-CG 3.95Å; F86-L88 PolarHBondContact O-N 3.32Å; F86-L88 VanDerWaalsContact O-N 3.14Å; L88-H91 PolarHBondContact O-CE1 2.98Å; L88-H91 VanDerWaalsContact O-CE1 3.31Å; L88-H91 PolarHBondContact O-ND1 3.34Å; L88-I103 HydrophobicContact CD2-CD1 4.22Å; L88-I103 HydrophobicContact CD2-CG2 4.38Å
89T54.7Low62.3Low94 Ų9491.1 Ų91.158%0.57747%0.472SS*.  trans-92.9-11.3-170.8500000114.9D87 H91 L92D87-T89 PolarHBondContact OD1-N 3.49Å; T89-H91 PolarHBondContact O-N 2.9Å; T89-L92 PolarHBondContact O-N 3.44Å
90S53.9Low61.6Low27 Ų2789.7 Ų89.719%0.18946%0.457CS..THydrogen-bonded Turntrans-571.7172.8500000115.8N9 D87 R100N9-S90 PolarHBondContact ND2-OG 2.98Å; D87-S90 VanDerWaalsContact CG-OG 3.23Å; D87-S90 WeakPolarHBondContact OD1-CB 3.48Å; D87-S90 PolarHBondContact OD1-N 3.33Å; D87-S90 PolarHBondContact OD1-OG 3.3Å; D87-S90 WeakPolarHBondContact OD2-CB 3.48Å; D87-S90 PolarHBondContact OD2-OG 3.48Å; S90-R100 PolarHBondContact O-NH2 3.29Å
91H53.1Low60.9Low84 Ų8486.3 Ų86.339%0.38944%0.436SS..THydrogen-bonded Turntrans-74.1-26.5167.363.3-89.5000113.5L88 T89 R100L88-H91 PolarHBondContact O-CE1 2.98Å; L88-H91 VanDerWaalsContact O-CE1 3.31Å; L88-H91 PolarHBondContact O-ND1 3.34Å; T89-H91 PolarHBondContact O-N 2.9Å; H91-R100 VanDerWaalsContact CA-NH1 3.35Å; H91-R100 VanDerWaalsContact CA-NH2 3.33Å
92L52.4Low59.4Low129 Ų12997 Ų9768%0.67548%0.476SS*.THydrogen-bonded Turntrans-78.5-19.9-177.7-57.1173.4000113.4T89T89-L92 PolarHBondContact O-N 3.44Å
93N48.6Very low58.1Low142 Ų14296.5 Ų96.576%0.75947%0.474SS*.THydrogen-bonded Turntrans-106.2-14.7-167.3-67.1-6.5000115.5
94N45.9Very low56.7Low99 Ų99100.3 Ų100.353%0.52949%0.491SS..  trans-158.7111175.1-166.3-32.5000112.6H96N94-H96 PolarHBondContact O-N 2.81Å; N94-H96 PolarHBondContact OD1-N 2.91Å
95P48.1Very low55.1Low106 Ų106106 Ų10669%0.68851%0.513SS*.THydrogen-bonded Turntrans-83.7-1.3-171.932.4-36.1000116
96H46Very low53.3Low164 Ų164104.5 Ų104.576%0.75951%0.505SS*.THydrogen-bonded Turntrans-120.627.5-166.7-67.8-23.8000116.3N94 R98N94-H96 PolarHBondContact O-N 2.81Å; N94-H96 PolarHBondContact OD1-N 2.91Å; H96-R98 PolarHBondContact O-N 3.19Å
97S43.8Very low51.9Low77 Ų77105.7 Ų105.754%0.53852%0.518SS..  trans-80.2114.9172.3-176.60000112.9H99S97-H99 PolarHBondContact O-N 2.96Å
98R42.7Very low50.8Low239 Ų239108 Ų10890%0.90253%0.526SS*.THydrogen-bonded Turntrans-732.2-177.6-71.6-174174.1-176-2.1115.9H96H96-R98 PolarHBondContact O-N 3.19Å
99H44.8Very low50Low158 Ų158111 Ų11173%0.73154%0.542SS*.THydrogen-bonded Turntrans-12732.3-175.4-69.6-19.6000113.6S97S97-H99 PolarHBondContact O-N 2.96Å
100R53.3Low49.7Very low95 Ų95110.3 Ų110.336%0.35853%0.532SS..PPolyproline II helixtrans-81.2131.4179.5175.1164.8-95.9154.22.1112.8N9 S90 H91N9-R100 PolarHBondContact OD1-NE 3.05Å; N9-R100 PolarHBondContact OD1-NH2 2.82Å; S90-R100 PolarHBondContact O-NH2 3.29Å; H91-R100 VanDerWaalsContact CA-NH1 3.35Å; H91-R100 VanDerWaalsContact CA-NH2 3.33Å
101K60.5Low49.5Very low53 Ų53113.3 Ų113.323%0.2355%0.545CS..PPolyproline II helixtrans-82.5131.7160.7-71157.8178.5160.60108.7C5 I103C5-K101 PolarHBondContact O-NZ 3.23Å; K101-I103 PolarHBondContact O-N 2.87Å
102R51.3Low49.1Very low223 Ų223116.6 Ų116.684%0.84255%0.554SS**PPolyproline II helixtrans-67.9123.3-174.7-154.9175.3-168.4175.22.9109.9
103I58.2Low48.8Very low34 Ų34114.4 Ų114.417%0.17455%0.546CS..PPolyproline II helixtrans-83.4144.2171.8-63.9172.4000107.9P8 R39 L88 K101P8-I103 HydrophobicContact CB-CD1 3.93Å; P8-I103 HydrophobicContact CB-CG1 3.59Å; P8-I103 HydrophobicContact CG-CG1 4.35Å; R39-I103 HydrophobicContact CB-CG2 4.32Å; R39-I103 WeakPolarHBondContact O-CA 3.4Å; L88-I103 HydrophobicContact CD2-CD1 4.22Å; L88-I103 HydrophobicContact CD2-CG2 4.38Å; K101-I103 PolarHBondContact O-N 2.87Å
104K57.1Low48.4Very low80 Ų80112.7 Ų112.735%0.34854%0.537SS..PPolyproline II helixtrans-76.5116.7169.4-171.3169.2176.3176.30109.6R39 E44R39-K104 PolarHBondContact O-N 3.32Å; E44-K104 WeakPolarHBondContact OE1-CD 3.27Å; E44-K104 IonicContact OE1-NZ 2.57Å; E44-K104 PolarHBondContact OE1-NZ 3.49Å; E44-K104 IonicContact OE2-NZ 3.46Å; E44-K104 PolarHBondContact OE2-NZ 3.43Å
105E49.2Very low48.2Very low181 Ų181115.9 Ų115.985%0.84655%0.546SS*.PPolyproline II helixtrans-69.9141.4168.9-71.4167.5-175.800108.7
106L42.9Very low47.7Very low50 Ų50117.1 Ų117.126%0.26254%0.542SS..  trans-112.1149.3-178.1-63.2-178.5000110.5E110L106-E110 HydrophobicContact CB-CB 4.45Å
107S52.4Low47.3Very low58 Ų58118.3 Ų118.341%0.40655%0.545SS..  trans-72.6160170.764.80000112.3D109 E110 I111S107-D109 PolarHBondContact O-N 3.47Å; S107-E110 WeakPolarHBondContact CB-OE2 3.47Å; S107-E110 PolarHBondContact N-OE2 2.97Å; S107-E110 PolarHBondContact O-N 2.91Å; S107-E110 WeakPolarHBondContact OG-CG 3.28Å; S107-E110 PolarHBondContact OG-OE2 2.63Å; S107-I111 PolarHBondContact O-N 3.48Å
108E44.3Very low46.8Very low135 Ų135123.6 Ų123.663%0.63156%0.559SS**Hα-helixtrans-63-29.5178.8-67.4-156164.200113.2I111 R112E108-I111 WeakPolarHBondContact O-CB 3.43Å; E108-I111 PolarHBondContact O-N 3.46Å; E108-R112 WeakPolarHBondContact O-CG 3.13Å; E108-R112 PolarHBondContact O-N 2.98Å; E108-R112 IonicContact OE2-NH2 3.26Å; E108-R112 PolarHBondContact OE2-NH2 2.7Å
109D46.8Very low46.5Very low104 Ų104118.8 Ų118.856%0.55655%0.55SS*.Hα-helixtrans-76-33.7-177.2-63.3-52.1000112.4S107 I111 R112 T113S107-D109 PolarHBondContact O-N 3.47Å; D109-I111 VanDerWaalsContact C-N 3.27Å; D109-I111 PolarHBondContact O-N 2.65Å; D109-R112 PolarHBondContact O-N 2.82Å; D109-R112 VanDerWaalsContact O-N 3.15Å; D109-R112 IonicContact OD1-NH1 2.74Å; D109-T113 PolarHBondContact O-N 3.21Å; D109-T113 PolarHBondContact O-OG1 3.44Å
110E48.4Very low45.7Very low78 Ų78117 Ų11736%0.36455%0.545SS..Hα-helixtrans-60.6-38.3169.4-71.1166.5110.500111.2L106 S107 R112 T113 L114L106-E110 HydrophobicContact CB-CB 4.45Å; S107-E110 WeakPolarHBondContact CB-OE2 3.47Å; S107-E110 PolarHBondContact N-OE2 2.97Å; S107-E110 PolarHBondContact O-N 2.91Å; S107-E110 WeakPolarHBondContact OG-CG 3.28Å; S107-E110 PolarHBondContact OG-OE2 2.63Å; E110-R112 VanDerWaalsContact C-N 3.3Å; E110-R112 PolarHBondContact O-N 3.43Å; E110-T113 PolarHBondContact O-OG1 2.89Å; E110-L114 WeakPolarHBondContact O-CG 3.36Å; E110-L114 PolarHBondContact O-N 2.78Å; E110-L114 VanDerWaalsContact O-N 3.17Å
111I49.8Very low44.5Very low90 Ų90121.6 Ų121.646%0.46257%0.571SS.*Hα-helixtrans-67.6-30.7177-61.6171.5000111.8S107 E108 D109S107-I111 PolarHBondContact O-N 3.48Å; E108-I111 WeakPolarHBondContact O-CB 3.43Å; E108-I111 PolarHBondContact O-N 3.46Å; D109-I111 VanDerWaalsContact C-N 3.27Å; D109-I111 PolarHBondContact O-N 2.65Å
112R43.7Very low43Very low154 Ų154126 Ų12658%0.58160%0.603SS**Hα-helixtrans-74.5-48.3175.9-67.4170.5-171.5-177.15111.6E108 D109 E110 L114 K115 Q116E108-R112 WeakPolarHBondContact O-CG 3.13Å; E108-R112 PolarHBondContact O-N 2.98Å; E108-R112 IonicContact OE2-NH2 3.26Å; E108-R112 PolarHBondContact OE2-NH2 2.7Å; D109-R112 PolarHBondContact O-N 2.82Å; D109-R112 VanDerWaalsContact O-N 3.15Å; D109-R112 IonicContact OD1-NH1 2.74Å; E110-R112 VanDerWaalsContact C-N 3.3Å; E110-R112 PolarHBondContact O-N 3.43Å; R112-L114 VanDerWaalsContact C-N 3.29Å; R112-L114 PolarHBondContact O-N 3.32Å; R112-K115 PolarHBondContact O-N 3.12Å; R112-Q116 PolarHBondContact O-N 3.37Å
113T46.6Very low41.7Very low82 Ų82119.9 Ų119.950%0.50359%0.594SS.*Hα-helixtrans-60-35.4178.555.60000113.4D109 E110 K115 Q116 K117D109-T113 PolarHBondContact O-N 3.21Å; D109-T113 PolarHBondContact O-OG1 3.44Å; E110-T113 PolarHBondContact O-OG1 2.89Å; T113-K115 PolarHBondContact O-N 2.93Å; T113-Q116 PolarHBondContact O-N 2.98Å; T113-Q116 VanDerWaalsContact O-N 3.16Å; T113-K117 PolarHBondContact O-N 3.04Å
114L41.6Very low40.2Very low107 Ų107126.3 Ų126.356%0.5662%0.623SS**Hα-helixtrans-65.9-18.8175.1-76.7170.8000114.5E110 R112E110-L114 WeakPolarHBondContact O-CG 3.36Å; E110-L114 PolarHBondContact O-N 2.78Å; E110-L114 VanDerWaalsContact O-N 3.17Å; R112-L114 VanDerWaalsContact C-N 3.29Å; R112-L114 PolarHBondContact O-N 3.32Å
115K39.8Very low38.6Very low165 Ų165131 Ų13172%0.71765%0.646SS**Hα-helixtrans-85.9-27.4172.2-72.4-173.9176.9-178.50113R112 T113R112-K115 PolarHBondContact O-N 3.12Å; T113-K115 PolarHBondContact O-N 2.93Å
116Q38.4Very low37.4Very low132 Ų132129.3 Ų129.362%0.61764%0.638SS**Hα-helixtrans-81.3-35.7-177-157.964.532.700112.6R112 T113 K118R112-Q116 PolarHBondContact O-N 3.37Å; T113-Q116 PolarHBondContact O-N 2.98Å; T113-Q116 VanDerWaalsContact O-N 3.16Å; Q116-K118 PolarHBondContact O-N 3.5Å
117K38.1Very low36.6Very low189 Ų189132.8 Ų132.882%0.82265%0.653SS**THydrogen-bonded Turntrans-71.839.6179-71.5-167.6168.3-168.40114.9T113T113-K117 PolarHBondContact O-N 3.04Å
118K33.9Very low35.3Very low188 Ų188137 Ų13782%0.81766%0.664SS**THydrogen-bonded Turntrans-136.515.5-177.1-144.3-166.4178.8-171.70114.8Q116Q116-K118 PolarHBondContact O-N 3.5Å
119I35.9Very low34.4Very low139 Ų139137.4 Ų137.471%0.71367%0.666SS**SBendtrans-128.4-40.8-177.4-67.4-178.5000111.7
120D28.5Very low33.3Very low120 Ų120139.9 Ų139.964%0.64267%0.672SS**  trans-101.5167.5-172.6-54.5-64.4000114.1
121E27.4Very low32.2Very low192 Ų192142.6 Ų142.690%0.89768%0.684SS**  trans74.960.6169.9-64.9168.2-162.700117.1
122T28.6Very low31Very low146 Ų146143.8 Ų143.890%0.89670%0.696SS**  trans-96.893.4141.735.20000110.1
123S25Very low30Very low94 Ų94142.6 Ų142.666%0.65770%0.701SS**  trans-172.1166.8147.6-144.70000114.5
124E25.3Very low28.9Very low169 Ų169145.6 Ų145.679%0.7971%0.714SS**  trans5485.9149.1-76.4146.4-103.600122.2
125Q23.4Very low28.1Very low177 Ų177145.6 Ų145.683%0.82772%0.723SS**  31.1135108.5-90.4177.4-26.400124.4
126E24.4Very low27.4Very low146 Ų146145.8 Ų145.868%0.68273%0.732SS**  100.8130.3130-80-145.4122.200126.1
127Q26.3Very low26.7Very low124 Ų124143.8 Ų143.858%0.57974%0.738SS**  trans64.1141.3145.7-66.1-174.934.100120.3
128K24.3Very low26.1Very low145 Ų145143.9 Ų143.963%0.6374%0.741SS**  cis-179.8163.627.7-127.9167.6179148.10113.3
129H25.3Very low25.7Very low145 Ų145142.4 Ų142.467%0.67174%0.742SS**  trans64.3131.6155-66.9-42.8000120.8
130K25.1Very low25.5Very low156 Ų156141.2 Ų141.268%0.67874%0.743SS**  80.6138.161.5-88.4-173.3162.5-124.20114.1
131E25.5Very low25.4Very low134 Ų134139.7 Ų139.763%0.62674%0.743SS**  cis-127.7-1201.3-154104.6-121.600112.4
132T23.3Very low25.3Very low116 Ų116139.1 Ų139.171%0.71274%0.74SS**  cis-163.6130.13.9-28.70000113.6
133N23.4Very low25.1Very low129 Ų129141.8 Ų141.869%0.6974%0.742SS**  trans49.4123148.6-64.73.4000127.6
134N23.7Very low25.1Very low145 Ų145146.8 Ų146.878%0.77576%0.755SS**  90.3148.1119.6-74.61.7000127
135S23.9Very low25.1Very low107 Ų107141.9 Ų141.975%0.74875%0.75SS**  trans86.7142.3161.578.90000117.6
136N25.4Very low25.1Very low169 Ų169143.6 Ų143.690%0.90476%0.758SS**  cis-151.4169.3-7.4-126.7-0.3000111.5
137A23.7Very low25.6Very low89 Ų89139.8 Ų139.874%0.73676%0.757SS**  trans-92.5157.7-171.900000115.7
138Q25.5Very low25.6Very low192 Ų192143 Ų14390%0.89777%0.772SS**  trans-169.2126.8146.4-110.7164.4-0.500113
139N25.8Very low25.7Very low156 Ų156143.3 Ų143.383%0.83478%0.781SS**  trans-102.4173.5157.5-66.6-2.9000108.4
140P32.6Very low26.2Very low114 Ų114145.9 Ų145.974%0.7479%0.794SS**  -149.6165.790.343.2-27.7000116.1
141S24.8Very low26.6Very low89 Ų89145.8 Ų145.862%0.62280%0.8SS**  trans33.2152.6139.167.30000122.4
142E25.4Very low27.5Very low180 Ų180147.2 Ų147.284%0.84181%0.81SS**  cis-178.1154.6-11.5-106.6154.2-157.600105.1
143E25.9Very low28.7Very low202 Ų202148.9 Ų148.994%0.94481%0.814SS**  trans-173.2154140.7-110.1166.7-158.100112.2
144E24.3Very low30.2Very low199 Ų199148.1 Ų148.193%0.9382%0.817SS**  trans-92.4166.3176.1-56.1169.3146.300108.9
145G25Very low32Very low66 Ų66144.3 Ų144.368%0.6880%0.796SS**  cis171.5-161.44.800000109.5
146E24Very low34.5Very low213 Ų213142.9 Ų142.9100%0.99578%0.783SS**  trans65.2162.5177.9-54.1-165.8159.400116.5
147G34.3Very low36.9Very low65 Ų65140.9 Ų140.967%0.6777%0.771SS**  trans-134.1175.8-168.400000114.6
148Q25.7Very low39.4Very low191 Ų191144.2 Ų144.289%0.89377%0.772SS**  trans-157.1169.3177.4-114.1135.989.800110.8
149D27.5Very low42Very low153 Ų153139.3 Ų139.382%0.81875%0.749SS**  trans-62.3163.9-169.7-55.9-93.1000115.4D151D149-D151 PolarHBondContact O-N 3.05Å
150E36.4Very low44.7Very low199 Ų199136.8 Ų136.893%0.9373%0.73SS**  trans-71.270174-68.8-168.8144.400112.2I152E150-I152 PolarHBondContact O-N 2.93Å
151D33Very low47.1Very low154 Ų154134.4 Ų134.482%0.82471%0.709SS**  trans-66123.1167.6-124.2-14.7000109.4D149 L153D149-D151 PolarHBondContact O-N 3.05Å; D151-L153 PolarHBondContact O-N 2.91Å
152I44.1Very low50Low163 Ų163132.2 Ų132.284%0.83669%0.691SS**  trans-71.295-175.1-58.1176.1000109.5E150E150-I152 PolarHBondContact O-N 2.93Å
153L48.3Very low53Low151 Ų151125.2 Ų125.279%0.79166%0.657SS**  trans-53.3132.1176.8-79.7167.2000111.1D151 L155D151-L153 PolarHBondContact O-N 2.91Å; L153-L155 PolarHBondContact O-N 2.96Å
154P55.4Low56Low114 Ų114119.8 Ų119.874%0.7463%0.632SS**  trans-71106.6-176.827.6-34000110.7T156P154-T156 PolarHBondContact O-N 2.98Å
155L60.7Low59.1Low65 Ų65110.8 Ų110.834%0.3459%0.59SS.*  trans-32.6129.4177.2-71.4168.7000113L153 E159 K160 K163L153-L155 PolarHBondContact O-N 2.96Å; L155-E159 HydrophobicContact CD2-CB 4.12Å; L155-K160 HydrophobicContact CB-CD 4.47Å; L155-K160 HydrophobicContact CB-CG 4.08Å; L155-K160 VanDerWaalsContact O-CE 3.28Å; L155-K160 WeakPolarHBondContact O-CE 3.44Å; L155-K160 PolarHBondContact O-NZ 3.16Å; L155-K163 HydrophobicContact CD1-CD 4.37Å
156T77.2Confident62.3Low77 Ų77107.9 Ų107.947%0.47256%0.558SS.*  trans-61163.617865.40000111.6P154 E158 E159 K160P154-T156 PolarHBondContact O-N 2.98Å; T156-E158 PolarHBondContact O-N 3.49Å; T156-E159 VanDerWaalsContact CB-OE2 3.24Å; T156-E159 WeakPolarHBondContact CB-OE2 3.46Å; T156-E159 VanDerWaalsContact CG2-OE2 3.28Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.35Å; T156-E159 PolarHBondContact N-OE2 3.32Å; T156-E159 PolarHBondContact O-N 2.68Å; T156-E159 VanDerWaalsContact OG1-CD 3.31Å; T156-E159 VanDerWaalsContact OG1-CG 3.27Å; T156-E159 WeakPolarHBondContact OG1-CG 3.44Å; T156-E159 PolarHBondContact OG1-N 2.84Å; T156-E159 PolarHBondContact OG1-OE2 2.95Å; T156-K160 WeakPolarHBondContact O-CG 3.35Å; T156-K160 PolarHBondContact O-N 3.39Å
157L75.8Confident65.5Low127 Ų12799 Ų9967%0.66552%0.517SS*.Hα-helixtrans-61.7-35.5176.9-175.662.4000111.9K160 E161L157-K160 PolarHBondContact O-N 3.32Å; L157-E161 WeakPolarHBondContact O-CG 3.44Å; L157-E161 PolarHBondContact O-N 3.47Å
158E75.3Confident68.3Low158 Ų15896.2 Ų96.274%0.73849%0.487SS*.Hα-helixtrans-73-40-179.6-171.8159-163.300112T156 K160 E161 N162T156-E158 PolarHBondContact O-N 3.49Å; E158-K160 VanDerWaalsContact C-N 3.35Å; E158-K160 PolarHBondContact O-N 3.06Å; E158-E161 PolarHBondContact O-N 2.7Å; E158-N162 VanDerWaalsContact O-CB 3.26Å; E158-N162 WeakPolarHBondContact O-CB 3.23Å; E158-N162 PolarHBondContact O-N 2.92Å
159E79.8Confident71.4Confident90 Ų9087.1 Ų87.142%0.42144%0.444SS..Hα-helixtrans-63.1-39.8171.5-70.7163121.500112.1L155 T156 N162 K163L155-E159 HydrophobicContact CD2-CB 4.12Å; T156-E159 VanDerWaalsContact CB-OE2 3.24Å; T156-E159 WeakPolarHBondContact CB-OE2 3.46Å; T156-E159 VanDerWaalsContact CG2-OE2 3.28Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.35Å; T156-E159 PolarHBondContact N-OE2 3.32Å; T156-E159 PolarHBondContact O-N 2.68Å; T156-E159 VanDerWaalsContact OG1-CD 3.31Å; T156-E159 VanDerWaalsContact OG1-CG 3.27Å; T156-E159 WeakPolarHBondContact OG1-CG 3.44Å; T156-E159 PolarHBondContact OG1-N 2.84Å; T156-E159 PolarHBondContact OG1-OE2 2.95Å; E159-N162 CarbonylContact O-C 3.5Å; E159-N162 PolarHBondContact O-N 2.84Å; E159-K163 PolarHBondContact O-N 2.87Å
160K82.9Confident74.6Confident103 Ų10379.8 Ų79.845%0.44841%0.405SS..Hα-helixtrans-63.9-48175.5-75.9167.8172.9144.60111.9L155 T156 L157 E158 N162 K163 E164L155-K160 HydrophobicContact CB-CD 4.47Å; L155-K160 HydrophobicContact CB-CG 4.08Å; L155-K160 VanDerWaalsContact O-CE 3.28Å; L155-K160 WeakPolarHBondContact O-CE 3.44Å; L155-K160 PolarHBondContact O-NZ 3.16Å; T156-K160 WeakPolarHBondContact O-CG 3.35Å; T156-K160 PolarHBondContact O-N 3.39Å; L157-K160 PolarHBondContact O-N 3.32Å; E158-K160 VanDerWaalsContact C-N 3.35Å; E158-K160 PolarHBondContact O-N 3.06Å; K160-N162 PolarHBondContact O-N 2.73Å; K160-K163 PolarHBondContact O-N 3.38Å; K160-E164 WeakPolarHBondContact O-CG 3.47Å; K160-E164 PolarHBondContact O-N 3.31Å
161E83.8Confident77.3Confident64 Ų6473.9 Ų73.930%0.29938%0.378SS..Hα-helixtrans-62.6-29173.8-72.9-175.4177.900112.4L157 E158 Y165 K218L157-E161 WeakPolarHBondContact O-CG 3.44Å; L157-E161 PolarHBondContact O-N 3.47Å; E158-E161 PolarHBondContact O-N 2.7Å; E161-Y165 WeakPolarHBondContact O-CB 3.46Å; E161-Y165 PolarHBondContact O-N 3.17Å; E161-Y165 VanDerWaalsContact O-N 3.09Å; E161-K218 IonicContact OE1-NZ 3.71Å; E161-K218 PolarHBondContact OE1-NZ 3.03Å; E161-K218 IonicContact OE2-NZ 3.12Å; E161-K218 PolarHBondContact OE2-NZ 2.91Å
162N85.3Confident80.2Confident43 Ų4366.6 Ų66.623%0.2334%0.339CS..Hα-helixtrans-75.3-39.9174.6-167.266.4000113.3E158 E159 K160 L166 R219E158-N162 VanDerWaalsContact O-CB 3.26Å; E158-N162 WeakPolarHBondContact O-CB 3.23Å; E158-N162 PolarHBondContact O-N 2.92Å; E159-N162 CarbonylContact O-C 3.5Å; E159-N162 PolarHBondContact O-N 2.84Å; K160-N162 PolarHBondContact O-N 2.73Å; N162-L166 WeakPolarHBondContact O-CG 3.31Å; N162-L166 PolarHBondContact O-N 2.78Å; N162-R219 VanDerWaalsContact OD1-CZ 3.31Å; N162-R219 PolarHBondContact OD1-NH1 3.08Å; N162-R219 PolarHBondContact OD1-NH2 2.91Å
163K89.4Confident82.5Confident33 Ų3358.9 Ų58.914%0.14330%0.299CS..Hα-helixtrans-62.1-51.5173.8-74.4-157.6-176.1-164.90110.9L155 E159 K160 Y165 L166 K167 V737 D738 I741L155-K163 HydrophobicContact CD1-CD 4.37Å; E159-K163 PolarHBondContact O-N 2.87Å; K160-K163 PolarHBondContact O-N 3.38Å; K163-Y165 VanDerWaalsContact C-N 3.33Å; K163-Y165 PolarHBondContact O-N 2.89Å; K163-L166 PolarHBondContact O-N 3.36Å; K163-L166 VanDerWaalsContact O-N 3.08Å; K163-K167 WeakPolarHBondContact O-CG 3.37Å; K163-K167 PolarHBondContact O-N 2.66Å; K163-V737 HydrophobicContact CB-CG1 3.94Å; K163-V737 HydrophobicContact CD-CG1 4.24Å; K163-V737 HydrophobicContact CG-CG1 3.81Å; K163-D738 WeakPolarHBondContact CE-OD1 3.28Å; K163-D738 IonicContact NZ-OD1 2.75Å; K163-D738 PolarHBondContact NZ-OD1 3.17Å; K163-D738 IonicContact NZ-OD2 2.72Å; K163-D738 PolarHBondContact NZ-OD2 2.71Å; K163-I741 HydrophobicContact CG-CD1 3.97Å
164E88.8Confident84.7Confident88 Ų8852 Ų5241%0.41126%0.263SS..Hα-helixtrans-60.8-41.3178.6-65.4-57.5125.600111.7K160 L166 K167 S168 V215K160-E164 WeakPolarHBondContact O-CG 3.47Å; K160-E164 PolarHBondContact O-N 3.31Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.34Å; E164-K167 WeakPolarHBondContact O-CB 3.38Å; E164-K167 PolarHBondContact O-N 3Å; E164-K167 WeakPolarHBondContact OE1-CE 3.23Å; E164-K167 IonicContact OE1-NZ 2.71Å; E164-K167 PolarHBondContact OE1-NZ 2.73Å; E164-S168 PolarHBondContact O-N 2.78Å; E164-S168 VanDerWaalsContact O-N 3.12Å; E164-S168 PolarHBondContact O-OG 2.96Å; E164-S168 VanDerWaalsContact O-OG 3.13Å; E164-V215 HydrophobicContact CB-CG1 4.38Å; E164-V215 HydrophobicContact CB-CG2 4.48Å
165Y88.6Confident86.5Confident10 Ų1050.5 Ų50.54%0.03925%0.248CC..Hα-helixtrans-56.3-42.8172.5171.5-101.7000112.8E161 K163 S168 L169 L216 R219 F229E161-Y165 WeakPolarHBondContact O-CB 3.46Å; E161-Y165 PolarHBondContact O-N 3.17Å; E161-Y165 VanDerWaalsContact O-N 3.09Å; K163-Y165 VanDerWaalsContact C-N 3.33Å; K163-Y165 PolarHBondContact O-N 2.89Å; Y165-S168 WeakPolarHBondContact O-CB 3.47Å; Y165-S168 PolarHBondContact O-N 3.06Å; Y165-L169 HydrophobicContact CE1-CD1 3.83Å; Y165-L169 HydrophobicContact CE1-CG 4.4Å; Y165-L169 HydrophobicContact CE2-CD2 4.3Å; Y165-L169 WeakPolarHBondContact O-CG 3.47Å; Y165-L169 PolarHBondContact O-N 3.03Å; Y165-L216 HydrophobicContact CD2-CD2 3.75Å; Y165-L216 HydrophobicContact CE2-CD2 3.8Å; Y165-R219 VanDerWaalsContact CD1-CZ 3.45Å; Y165-R219 HydrophobicContact CD2-CB 4.04Å; Y165-R219 HydrophobicContact CD2-CG 3.79Å; Y165-R219 HydrophobicContact CE2-CB 4.08Å; Y165-R219 HydrophobicContact CE2-CG 3.65Å; Y165-R219 HydrophobicContact CG-CG 4.41Å; Y165-F229 PolarHBondContact OH-O 3.18Å
166L91.3Very high88Confident4 Ų447.4 Ų47.42%0.02123%0.232CC..Hα-helixtrans-69.6-36.3177.4-70.6168.5000112.1N162 K163 E164 S168 L169 F170 M238 V737 Y740 I741N162-L166 WeakPolarHBondContact O-CG 3.31Å; N162-L166 PolarHBondContact O-N 2.78Å; K163-L166 PolarHBondContact O-N 3.36Å; K163-L166 VanDerWaalsContact O-N 3.08Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.34Å; L166-S168 VanDerWaalsContact C-N 3.33Å; L166-S168 PolarHBondContact O-N 3.21Å; L166-L169 PolarHBondContact O-N 2.8Å; L166-L169 VanDerWaalsContact O-N 3.17Å; L166-F170 VanDerWaalsContact O-CD2 3.29Å; L166-F170 WeakPolarHBondContact O-CD2 3.4Å; L166-F170 PolarHBondContact O-N 2.93Å; L166-M238 HydrophobicContact CD2-SD 4.49Å; L166-V737 HydrophobicContact CB-CG1 4.16Å; L166-V737 HydrophobicContact CB-CG2 3.7Å; L166-V737 HydrophobicContact CD1-CG1 4.16Å; L166-Y740 HydrophobicContact CD1-CD1 3.9Å; L166-Y740 HydrophobicContact CD1-CE1 4.26Å; L166-Y740 HydrophobicContact CD2-CD1 4.15Å; L166-Y740 HydrophobicContact CD2-CE1 4Å; L166-I741 HydrophobicContact CD1-CD1 4.14Å; L166-I741 HydrophobicContact CD1-CG1 3.94Å
167K93.1Very high88.7Confident27 Ų2743.7 Ų43.712%0.11721%0.209CC..Hα-helixtrans-56.3-47.3172.8-65.9-178.3-174.9173.80111.1K163 E164 L169 F170 E171 L733 D734 V737K163-K167 WeakPolarHBondContact O-CG 3.37Å; K163-K167 PolarHBondContact O-N 2.66Å; E164-K167 WeakPolarHBondContact O-CB 3.38Å; E164-K167 PolarHBondContact O-N 3Å; E164-K167 WeakPolarHBondContact OE1-CE 3.23Å; E164-K167 IonicContact OE1-NZ 2.71Å; E164-K167 PolarHBondContact OE1-NZ 2.73Å; K167-L169 VanDerWaalsContact C-N 3.27Å; K167-L169 PolarHBondContact O-N 2.75Å; K167-F170 PolarHBondContact O-N 3.14Å; K167-F170 VanDerWaalsContact O-N 3.1Å; K167-E171 WeakPolarHBondContact O-CG 3.19Å; K167-E171 PolarHBondContact O-N 3.07Å; K167-L733 HydrophobicContact CD-CB 4.47Å; K167-L733 HydrophobicContact CG-CB 4.19Å; K167-D734 WeakPolarHBondContact CE-OD1 3.37Å; K167-D734 VanDerWaalsContact CE-OD2 3.25Å; K167-D734 WeakPolarHBondContact CE-OD2 3.15Å; K167-D734 IonicContact NZ-OD1 3.53Å; K167-D734 PolarHBondContact NZ-OD1 3.22Å; K167-D734 IonicContact NZ-OD2 2.7Å; K167-D734 PolarHBondContact NZ-OD2 3.45Å; K167-V737 HydrophobicContact CG-CG2 3.78Å
168S91.3Very high89.5Confident6 Ų639.4 Ų39.44%0.04219%0.185CC..Hα-helixtrans-53.5-42.8176.3-51.20000112.6E164 Y165 L166 I172 E213E164-S168 PolarHBondContact O-N 2.78Å; E164-S168 VanDerWaalsContact O-N 3.12Å; E164-S168 PolarHBondContact O-OG 2.96Å; E164-S168 VanDerWaalsContact O-OG 3.13Å; Y165-S168 WeakPolarHBondContact O-CB 3.47Å; Y165-S168 PolarHBondContact O-N 3.06Å; L166-S168 VanDerWaalsContact C-N 3.33Å; L166-S168 PolarHBondContact O-N 3.21Å; S168-I172 WeakPolarHBondContact O-CG1 3.46Å; S168-I172 PolarHBondContact O-N 3.34Å; S168-E213 WeakPolarHBondContact CB-OE1 3.42Å; S168-E213 PolarHBondContact OG-OE1 3.32Å
169L91.8Very high90.3Very high0 Ų038 Ų380%018%0.179CC..Hα-helixtrans-70.8-40.4177.9-54.4-171000111.9Y165 L166 K167 I172 L173 F201 L205 L216 C230 M238Y165-L169 HydrophobicContact CE1-CD1 3.83Å; Y165-L169 HydrophobicContact CE1-CG 4.4Å; Y165-L169 HydrophobicContact CE2-CD2 4.3Å; Y165-L169 WeakPolarHBondContact O-CG 3.47Å; Y165-L169 PolarHBondContact O-N 3.03Å; L166-L169 PolarHBondContact O-N 2.8Å; L166-L169 VanDerWaalsContact O-N 3.17Å; K167-L169 VanDerWaalsContact C-N 3.27Å; K167-L169 PolarHBondContact O-N 2.75Å; L169-I172 PolarHBondContact O-N 3.41Å; L169-L173 WeakPolarHBondContact O-CG 2.99Å; L169-L173 PolarHBondContact O-N 3.33Å; L169-L173 VanDerWaalsContact O-N 3.11Å; L169-F201 HydrophobicContact CB-CZ 4.34Å; L169-F201 HydrophobicContact CD2-CZ 4.01Å; L169-L205 HydrophobicContact CD2-CD1 3.63Å; L169-L216 HydrophobicContact CD2-CD2 4.35Å; L169-C230 HydrophobicContact CD1-CB 4.12Å; L169-M238 HydrophobicContact CB-CE 3.5Å; L169-M238 VanDerWaalsContact CB-CE 3.5Å; L169-M238 HydrophobicContact CB-SD 4.09Å; L169-M238 HydrophobicContact CD1-CE 4.46Å; L169-M238 HydrophobicContact CD1-SD 4.1Å
170F94.6Very high90.8Very high0 Ų035.6 Ų35.60%017%0.169CC..Hα-helixtrans-60.9-45175.3-88-67.1000111.6L166 K167 I172 L173 I174 M238 I241 C242 L733 M736 V737 Y740L166-F170 VanDerWaalsContact O-CD2 3.29Å; L166-F170 WeakPolarHBondContact O-CD2 3.4Å; L166-F170 PolarHBondContact O-N 2.93Å; K167-F170 PolarHBondContact O-N 3.14Å; K167-F170 VanDerWaalsContact O-N 3.1Å; F170-I172 VanDerWaalsContact C-N 3.29Å; F170-I172 PolarHBondContact O-N 3.18Å; F170-L173 PolarHBondContact O-N 3.3Å; F170-I174 WeakPolarHBondContact O-CB 3.36Å; F170-I174 WeakPolarHBondContact O-CD1 3.39Å; F170-I174 VanDerWaalsContact O-CG1 3.22Å; F170-I174 WeakPolarHBondContact O-CG1 3.41Å; F170-I174 PolarHBondContact O-N 3.48Å; F170-M238 HydrophobicContact CB-CE 4.28Å; F170-M238 HydrophobicContact CD1-CE 3.87Å; F170-M238 HydrophobicContact CD2-CE 3.4Å; F170-M238 VanDerWaalsContact CD2-CE 3.4Å; F170-M238 HydrophobicContact CE1-CB 3.98Å; F170-M238 HydrophobicContact CE1-CE 4Å; F170-M238 HydrophobicContact CE1-CG 4.4Å; F170-M238 WeakPolarHBondContact CE1-O 3.22Å; F170-M238 HydrophobicContact CE2-CE 3.54Å; F170-M238 HydrophobicContact CG-CE 3.57Å; F170-M238 HydrophobicContact CZ-CB 4.21Å; F170-M238 HydrophobicContact CZ-CE 3.84Å; F170-M238 HydrophobicContact CZ-CG 4.14Å; F170-I241 HydrophobicContact CE1-CB 4.26Å; F170-I241 HydrophobicContact CE1-CG2 4Å; F170-I241 HydrophobicContact CZ-CB 4.33Å; F170-I241 HydrophobicContact CZ-CG2 3.95Å; F170-C242 VanDerWaalsContact CD1-SG 3.52Å; F170-L733 HydrophobicContact CB-CD2 3.87Å; F170-M736 HydrophobicContact CD1-CB 4.06Å; F170-M736 HydrophobicContact CD1-SD 4.1Å; F170-M736 HydrophobicContact CD2-CB 4.26Å; F170-M736 HydrophobicContact CE1-CB 3.91Å; F170-M736 HydrophobicContact CE1-CG 4.48Å; F170-M736 HydrophobicContact CE1-SD 4.49Å; F170-M736 HydrophobicContact CE2-CB 4.11Å; F170-M736 HydrophobicContact CG-CB 4.25Å; F170-M736 HydrophobicContact CZ-CB 3.94Å; F170-V737 HydrophobicContact CD2-CG2 3.66Å; F170-V737 HydrophobicContact CE2-CG2 3.91Å; F170-Y740 HydrophobicContact CZ-CG 4.5Å
171E93.5Very high91.2Very high75 Ų7533.1 Ų33.135%0.3516%0.16SC..Hα-helixtrans-60.7-35.5176.6-69.8-172157.600112.8K167 L175 R208 L733K167-E171 WeakPolarHBondContact O-CG 3.19Å; K167-E171 PolarHBondContact O-N 3.07Å; E171-L175 VanDerWaalsContact O-CB 3.27Å; E171-L175 WeakPolarHBondContact O-CB 3.49Å; E171-L175 PolarHBondContact O-N 3.27Å; E171-R208 VanDerWaalsContact CB-NH2 3.28Å; E171-R208 IonicContact OE2-CZ 3.63Å; E171-R208 IonicContact OE2-NH1 3.76Å; E171-R208 PolarHBondContact OE2-NH1 3.43Å; E171-R208 IonicContact OE2-NH2 2.68Å; E171-R208 PolarHBondContact OE2-NH2 2.92Å; E171-L733 HydrophobicContact CG-CD1 3.58Å; E171-L733 HydrophobicContact CG-CD2 4.04Å; E171-L733 HydrophobicContact CG-CG 4.49Å; E171-L733 WeakPolarHBondContact OE1-CD1 3.45Å
172I92.8Very high91.2Very high1 Ų132.1 Ų32.11%0.00516%0.159CC..Hα-helixtrans-64.8-50.8173.8-64.8162.7000110.3S168 L169 F170 I174 L175 M176 F201 L204 L205S168-I172 WeakPolarHBondContact O-CG1 3.46Å; S168-I172 PolarHBondContact O-N 3.34Å; L169-I172 PolarHBondContact O-N 3.41Å; F170-I172 VanDerWaalsContact C-N 3.29Å; F170-I172 PolarHBondContact O-N 3.18Å; I172-I174 VanDerWaalsContact C-N 3.32Å; I172-I174 PolarHBondContact O-N 2.88Å; I172-L175 PolarHBondContact O-N 2.8Å; I172-M176 HydrophobicContact CG2-CG 4.39Å; I172-M176 HydrophobicContact CG2-SD 3.86Å; I172-M176 VanDerWaalsContact O-CG 3.28Å; I172-M176 WeakPolarHBondContact O-CG 3.09Å; I172-M176 PolarHBondContact O-N 3.32Å; I172-F201 HydrophobicContact CB-CD2 4.36Å; I172-F201 HydrophobicContact CB-CE2 3.97Å; I172-F201 HydrophobicContact CG2-CD2 3.52Å; I172-F201 HydrophobicContact CG2-CE2 3.63Å; I172-F201 HydrophobicContact CG2-CG 4.36Å; I172-L204 HydrophobicContact CG2-CB 3.83Å; I172-L204 HydrophobicContact CG2-CD1 4.15Å; I172-L205 HydrophobicContact CD1-CB 4.03Å; I172-L205 HydrophobicContact CD1-CD1 3.64Å; I172-L205 HydrophobicContact CD1-CG 4.48Å
173L93.6Very high90.8Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-62.6-38.6-179-66.3171.1000112.3L169 F170 M176 G177 L183 F201 M238 L239L169-L173 WeakPolarHBondContact O-CG 2.99Å; L169-L173 PolarHBondContact O-N 3.33Å; L169-L173 VanDerWaalsContact O-N 3.11Å; F170-L173 PolarHBondContact O-N 3.3Å; L173-M176 PolarHBondContact O-N 3.11Å; L173-G177 PolarHBondContact O-N 3.45Å; L173-L183 HydrophobicContact CD2-CD2 3.85Å; L173-F201 HydrophobicContact CD2-CD2 3.67Å; L173-F201 HydrophobicContact CD2-CE2 3.72Å; L173-F201 HydrophobicContact CG-CD2 4.28Å; L173-F201 HydrophobicContact CG-CE2 3.86Å; L173-M238 HydrophobicContact CD1-CB 3.4Å; L173-M238 VanDerWaalsContact CD1-CB 3.4Å; L173-M238 HydrophobicContact CD1-CE 4.17Å; L173-M238 HydrophobicContact CD1-CG 4.44Å; L173-M238 HydrophobicContact CD1-SD 4.38Å; L173-L239 HydrophobicContact CB-CD2 4.06Å; L173-L239 HydrophobicContact CD1-CG 4.27Å; L173-L239 HydrophobicContact CD2-CD1 4.29Å; L173-L239 HydrophobicContact CD2-CD2 4.17Å; L173-L239 HydrophobicContact CD2-CG 4.05Å; L173-L239 HydrophobicContact CG-CD2 4.5Å
174I93.9Very high90Very high6 Ų633.7 Ų33.73%0.03117%0.169CC..Hα-helixtrans-69.2-40.5177.1-65.8165.9000110.7F170 I172 K178 L733 M736F170-I174 WeakPolarHBondContact O-CB 3.36Å; F170-I174 WeakPolarHBondContact O-CD1 3.39Å; F170-I174 VanDerWaalsContact O-CG1 3.22Å; F170-I174 WeakPolarHBondContact O-CG1 3.41Å; F170-I174 PolarHBondContact O-N 3.48Å; I172-I174 VanDerWaalsContact C-N 3.32Å; I172-I174 PolarHBondContact O-N 2.88Å; I174-K178 HydrophobicContact CG2-CD 3.92Å; I174-K178 HydrophobicContact CG2-CG 4.24Å; I174-K178 VanDerWaalsContact O-CB 3.28Å; I174-K178 WeakPolarHBondContact O-CB 3.37Å; I174-K178 VanDerWaalsContact O-CG 3.27Å; I174-K178 WeakPolarHBondContact O-CG 3.43Å; I174-K178 PolarHBondContact O-N 3.15Å; I174-L733 HydrophobicContact CD1-CD2 3.86Å; I174-M736 HydrophobicContact CD1-CE 4.14Å; I174-M736 HydrophobicContact CD1-SD 3.68Å
175L93.6Very high88.8Confident83 Ų8330.8 Ų30.844%0.43516%0.162SC..Hα-helixtrans-60.4-46.9172.8177.163.9000111.2E171 I172 K178 Q179E171-L175 VanDerWaalsContact O-CB 3.27Å; E171-L175 WeakPolarHBondContact O-CB 3.49Å; E171-L175 PolarHBondContact O-N 3.27Å; I172-L175 PolarHBondContact O-N 2.8Å; L175-K178 PolarHBondContact O-N 3.36Å; L175-Q179 HydrophobicContact CD1-CG 3.93Å; L175-Q179 WeakPolarHBondContact O-CB 3.46Å; L175-Q179 WeakPolarHBondContact O-CG 3.41Å; L175-Q179 PolarHBondContact O-N 3.45Å
176M92Very high87.4Confident0 Ų038.8 Ų38.80%020%0.199CC..Hα-helixtrans-60.9-49.5179-68.817682.300111.6I172 L173 Q179 N180 I181 P182 L183 N200 F201 L204I172-M176 HydrophobicContact CG2-CG 4.39Å; I172-M176 HydrophobicContact CG2-SD 3.86Å; I172-M176 VanDerWaalsContact O-CG 3.28Å; I172-M176 WeakPolarHBondContact O-CG 3.09Å; I172-M176 PolarHBondContact O-N 3.32Å; L173-M176 PolarHBondContact O-N 3.11Å; M176-Q179 CarbonylContact O-C 3.57Å; M176-Q179 PolarHBondContact O-N 3.37Å; M176-N180 PolarHBondContact O-N 2.85Å; M176-I181 HydrophobicContact CB-CB 4.16Å; M176-I181 HydrophobicContact CE-CG2 3.98Å; M176-I181 HydrophobicContact CG-CB 4.27Å; M176-I181 HydrophobicContact CG-CG2 4.43Å; M176-I181 PolarHBondContact O-N 2.83Å; M176-P182 VanDerWaalsContact CE-O 3.28Å; M176-P182 WeakPolarHBondContact CE-O 3.49Å; M176-L183 HydrophobicContact CE-CD2 4.14Å; M176-L183 HydrophobicContact SD-CD2 4.33Å; M176-N200 HydrophobicContact CE-CB 3.59Å; M176-F201 HydrophobicContact CE-CB 4.23Å; M176-F201 HydrophobicContact SD-CB 4.01Å; M176-F201 HydrophobicContact SD-CD2 4.02Å; M176-L204 HydrophobicContact CE-CD1 4.48Å; M176-L204 HydrophobicContact CG-CD1 3.42Å; M176-L204 VanDerWaalsContact CG-CD1 3.42Å; M176-L204 HydrophobicContact SD-CD1 3.85Å
177G92.4Very high85.5Confident0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-60.1-50.7175.900000112.8L173 Q179 N180 N724L173-G177 PolarHBondContact O-N 3.45Å; G177-Q179 PolarHBondContact O-N 2.8Å; G177-N180 PolarHBondContact O-N 3.2Å; G177-N180 VanDerWaalsContact O-N 3.11Å; G177-N724 WeakPolarHBondContact O-CA 3.38Å; G177-N724 VanDerWaalsContact O-CB 3.32Å; G177-N724 WeakPolarHBondContact O-CB 3.39Å; G177-N724 PolarHBondContact O-N 2.92Å
178K92.6Very high83.2Confident37 Ų3748.6 Ų48.616%0.16125%0.254CS..Hα-helixtrans-62.5-26.1179.6-70.7-170.5177.6-155.10113.2I174 L175 N724 F727 I729I174-K178 HydrophobicContact CG2-CD 3.92Å; I174-K178 HydrophobicContact CG2-CG 4.24Å; I174-K178 VanDerWaalsContact O-CB 3.28Å; I174-K178 WeakPolarHBondContact O-CB 3.37Å; I174-K178 VanDerWaalsContact O-CG 3.27Å; I174-K178 WeakPolarHBondContact O-CG 3.43Å; I174-K178 PolarHBondContact O-N 3.15Å; L175-K178 PolarHBondContact O-N 3.36Å; K178-N724 PolarHBondContact O-ND2 3.31Å; K178-F727 HydrophobicContact CB-CB 4.22Å; K178-F727 HydrophobicContact CD-CB 4.3Å; K178-F727 WeakPolarHBondContact CD-O 3.35Å; K178-F727 VanDerWaalsContact CE-O 3.22Å; K178-F727 WeakPolarHBondContact CE-O 3.19Å; K178-F727 HydrophobicContact CG-CB 3.96Å; K178-F727 PolarHBondContact NZ-O 3.02Å; K178-I729 PolarHBondContact NZ-O 3.43Å; K178-I729 VanDerWaalsContact NZ-O 3.12Å
179Q91.9Very high81.1Confident129 Ų12956.6 Ų56.660%0.60330%0.297SS*.Hα-helixtrans-100.53.6177.3-62.1-59.1-83.700114.5L175 M176 G177 I181L175-Q179 HydrophobicContact CD1-CG 3.93Å; L175-Q179 WeakPolarHBondContact O-CB 3.46Å; L175-Q179 WeakPolarHBondContact O-CG 3.41Å; L175-Q179 PolarHBondContact O-N 3.45Å; M176-Q179 CarbonylContact O-C 3.57Å; M176-Q179 PolarHBondContact O-N 3.37Å; G177-Q179 PolarHBondContact O-N 2.8Å; Q179-I181 VanDerWaalsContact C-N 3.33Å; Q179-I181 HydrophobicContact CB-CD1 3.94Å; Q179-I181 HydrophobicContact CB-CG1 3.93Å; Q179-I181 PolarHBondContact O-N 3.18Å
180N90.6Very high78.9Confident38 Ų3865 Ų6520%0.20334%0.336CS..THydrogen-bonded Turntrans54.942.8-175.3-160.337.1000114.1M176 G177 Y707 T711M176-N180 PolarHBondContact O-N 2.85Å; G177-N180 PolarHBondContact O-N 3.2Å; G177-N180 VanDerWaalsContact O-N 3.11Å; N180-Y707 WeakPolarHBondContact OD1-CE2 3.43Å; N180-T711 PolarHBondContact ND2-OG1 3.46Å
181I89.6Confident76.9Confident52 Ų5269.1 Ų69.127%0.26736%0.357SS..  trans-90.2119.5175.8-57172.7000107.9M176 Q179 N200M176-I181 HydrophobicContact CB-CB 4.16Å; M176-I181 HydrophobicContact CE-CG2 3.98Å; M176-I181 HydrophobicContact CG-CB 4.27Å; M176-I181 HydrophobicContact CG-CG2 4.43Å; M176-I181 PolarHBondContact O-N 2.83Å; Q179-I181 VanDerWaalsContact C-N 3.33Å; Q179-I181 HydrophobicContact CB-CD1 3.94Å; Q179-I181 HydrophobicContact CB-CG1 3.93Å; Q179-I181 PolarHBondContact O-N 3.18Å; I181-N200 HydrophobicContact CG2-CB 3.92Å
182P85.1Confident74.6Confident42 Ų4269.5 Ų69.527%0.27337%0.366SS..  trans-57.8147.8173.4-24.635.1000111.8M176 N200M176-P182 VanDerWaalsContact CE-O 3.28Å; M176-P182 WeakPolarHBondContact CE-O 3.49Å; P182-N200 WeakPolarHBondContact O-CB 3.44Å; P182-N200 PolarHBondContact O-ND2 3.36Å
183L77.3Confident71.9Confident37 Ų3779.2 Ų79.219%0.19441%0.411CS..SBendtrans-66.9-51.6179.7-64.2161.8000111.2L173 M176 N200 L239 L720L173-L183 HydrophobicContact CD2-CD2 3.85Å; M176-L183 HydrophobicContact CE-CD2 4.14Å; M176-L183 HydrophobicContact SD-CD2 4.33Å; L183-N200 PolarHBondContact O-N 2.78Å; L183-N200 VanDerWaalsContact O-N 3.14Å; L183-L239 HydrophobicContact CD1-CD1 3.38Å; L183-L239 HydrophobicContact CD2-CD1 3.89Å; L183-L239 HydrophobicContact CG-CD1 4.21Å; L183-L720 HydrophobicContact CG-CD1 4.28Å; L183-L720 HydrophobicContact CG-CD2 4.48Å
184D70.9Confident69.5Low73 Ų7383.4 Ų83.439%0.3945%0.454SS..SBendtrans-71.1146175.2-84.7-63.6000111.8N200 K232D184-N200 PolarHBondContact O-ND2 2.87Å; D184-K232 VanDerWaalsContact OD1-CE 3.29Å; D184-K232 WeakPolarHBondContact OD1-CE 3.48Å; D184-K232 IonicContact OD1-NZ 3.51Å; D184-K232 PolarHBondContact OD1-NZ 3.39Å; D184-K232 IonicContact OD2-NZ 3.38Å; D184-K232 PolarHBondContact OD2-NZ 2.96Å
185G65.1Low67.1Low27 Ų2788.7 Ų88.728%0.27848%0.482SS..  trans-78.8-154.4176.600000112.2E187G185-E187 PolarHBondContact O-N 3.1Å
186H58.7Low65Low177 Ų17793.8 Ų93.882%0.81950%0.501SS*.  trans-68.7118169.4-68-61.9000110.5A188H186-A188 PolarHBondContact O-N 2.95Å; H186-A188 VanDerWaalsContact O-N 3.14Å
187E50.9Low63Low187 Ų18797.1 Ų97.187%0.87452%0.522SS*.  trans-64.5109158.1-65.3-166145.400108.1G185G185-E187 PolarHBondContact O-N 3.1Å
188A45.7Very low61.5Low50 Ų50100.2 Ų100.241%0.41354%0.541SS..  trans-109.9117.1171.200000107.7H186 E190H186-A188 PolarHBondContact O-N 2.95Å; H186-A188 VanDerWaalsContact O-N 3.14Å; A188-E190 PolarHBondContact O-N 2.98Å
189D46.8Very low60.7Low174 Ų174100.1 Ų100.193%0.9354%0.543SS*.SBendtrans-54.7-28.9-178.6-62.2-63.5000112.9
190E45.6Very low60.4Low176 Ų17696.5 Ų96.582%0.82253%0.527SS*.  trans-127.1100.9173.7-64.4-173.1165.700110.9A188 P192A188-E190 PolarHBondContact O-N 2.98Å; E190-P192 WeakPolarHBondContact O-CD 3.45Å
191I51.4Low60.2Low87 Ų8794.7 Ų94.745%0.44652%0.518SS..  trans-80.9118.8165.6-58.2172.5000108.2L195 T197I191-L195 VanDerWaalsContact CG2-O 3.23Å; I191-L195 WeakPolarHBondContact CG2-O 3.48Å; I191-T197 WeakPolarHBondContact CD1-OG1 3.45Å; I191-T197 HydrophobicContact CG1-CG2 4.42Å
192P45.2Very low59.8Low83 Ų8393.9 Ų93.954%0.53951%0.513SS..  trans-66.6138-179.2-19.131.7000112.1E190 G194 L195E190-P192 WeakPolarHBondContact O-CD 3.45Å; P192-G194 PolarHBondContact O-N 3.39Å; P192-L195 HydrophobicContact CB-CD1 4.11Å; P192-L195 HydrophobicContact CG-CD1 4.16Å; P192-L195 PolarHBondContact O-N 3.26Å
193E37.6Very low59.6Low206 Ų20693.9 Ų93.996%0.96352%0.516SS*.THydrogen-bonded Turntrans-50.2113.6-175.2-71.5-16515100113.2
194G42.5Very low60.1Low87 Ų8794.2 Ų94.290%0.89752%0.518SS*.THydrogen-bonded Turntrans100.5-3.217600000115.7P192P192-G194 PolarHBondContact O-N 3.39Å
195L43.6Very low60.8Low117 Ų11790.9 Ų90.961%0.61350%0.5SS*.  trans-87.2127.5161.9-85144.9000109.8I191 P192I191-L195 VanDerWaalsContact CG2-O 3.23Å; I191-L195 WeakPolarHBondContact CG2-O 3.48Å; P192-L195 HydrophobicContact CB-CD1 4.11Å; P192-L195 HydrophobicContact CG-CD1 4.16Å; P192-L195 PolarHBondContact O-N 3.26Å
196F49.4Very low61.6Low191 Ų19193 Ų9384%0.83850%0.503SS*.  trans-86123.4157.4-105.8-99.9000107.3P198F196-P198 VanDerWaalsContact O-CD 3.25Å; F196-P198 WeakPolarHBondContact O-CD 3.42Å
197T50.8Low62.8Low70 Ų7088 Ų8843%0.42949%0.487SS..  trans-80.1106.6155.245.90000107.1I191I191-T197 WeakPolarHBondContact CD1-OG1 3.45Å; I191-T197 HydrophobicContact CG1-CG2 4.42Å
198P61Low64.4Low64 Ų6481.8 Ų81.842%0.41646%0.456SS..  trans-64.8138.6170.329.1-33.7000108.7F196 Q202 A203F196-P198 VanDerWaalsContact O-CD 3.25Å; F196-P198 WeakPolarHBondContact O-CD 3.42Å; P198-Q202 HydrophobicContact CB-CB 4.2Å; P198-Q202 HydrophobicContact CB-CG 4.1Å; P198-A203 HydrophobicContact CB-CB 4.41Å; P198-A203 HydrophobicContact CG-CB 4.45Å
199D75.6Confident66.2Low35 Ų3580.3 Ų80.319%0.18744%0.44CS..  trans-65.8162.5162.161.647.9000110F201 Q202 A203D199-F201 PolarHBondContact O-N 2.8Å; D199-F201 WeakPolarHBondContact OD1-CB 3.45Å; D199-F201 PolarHBondContact OD1-N 2.81Å; D199-Q202 PolarHBondContact O-N 3.49Å; D199-Q202 VanDerWaalsContact OD1-CB 3.29Å; D199-Q202 WeakPolarHBondContact OD1-CB 3.3Å; D199-Q202 PolarHBondContact OD1-N 2.68Å; D199-A203 PolarHBondContact O-N 3.44Å
200N84.9Confident67.7Low53 Ų5376.6 Ų76.628%0.28342%0.42SS..Hα-helixtrans-64-28.7-173.3-67.7-36000111.5M176 I181 P182 L183 D184 L204M176-N200 HydrophobicContact CE-CB 3.59Å; I181-N200 HydrophobicContact CG2-CB 3.92Å; P182-N200 WeakPolarHBondContact O-CB 3.44Å; P182-N200 PolarHBondContact O-ND2 3.36Å; L183-N200 PolarHBondContact O-N 2.78Å; L183-N200 VanDerWaalsContact O-N 3.14Å; D184-N200 PolarHBondContact O-ND2 2.87Å; N200-L204 WeakPolarHBondContact O-CG 3.47Å; N200-L204 PolarHBondContact O-N 2.86Å; N200-L204 VanDerWaalsContact O-N 3.14Å
201F85.8Confident69.5Low1 Ų173 Ų730%0.00442%0.415CS..Hα-helixtrans-66.3-49.9174.5179.4-88.5000111.7L169 I172 L173 M176 D199 A203 L204 L205 C230L169-F201 HydrophobicContact CB-CZ 4.34Å; L169-F201 HydrophobicContact CD2-CZ 4.01Å; I172-F201 HydrophobicContact CB-CD2 4.36Å; I172-F201 HydrophobicContact CB-CE2 3.97Å; I172-F201 HydrophobicContact CG2-CD2 3.52Å; I172-F201 HydrophobicContact CG2-CE2 3.63Å; I172-F201 HydrophobicContact CG2-CG 4.36Å; L173-F201 HydrophobicContact CD2-CD2 3.67Å; L173-F201 HydrophobicContact CD2-CE2 3.72Å; L173-F201 HydrophobicContact CG-CD2 4.28Å; L173-F201 HydrophobicContact CG-CE2 3.86Å; M176-F201 HydrophobicContact CE-CB 4.23Å; M176-F201 HydrophobicContact SD-CB 4.01Å; M176-F201 HydrophobicContact SD-CD2 4.02Å; D199-F201 PolarHBondContact O-N 2.8Å; D199-F201 WeakPolarHBondContact OD1-CB 3.45Å; D199-F201 PolarHBondContact OD1-N 2.81Å; F201-A203 VanDerWaalsContact C-N 3.32Å; F201-A203 PolarHBondContact O-N 2.93Å; F201-L204 PolarHBondContact O-N 3.37Å; F201-L205 HydrophobicContact CE1-CD2 4.4Å; F201-L205 WeakPolarHBondContact O-CB 3.43Å; F201-L205 PolarHBondContact O-N 3.14Å; F201-C230 HydrophobicContact CD1-CB 4.38Å; F201-C230 HydrophobicContact CE1-CB 3.43Å; F201-C230 VanDerWaalsContact CE1-CB 3.43Å; F201-C230 HydrophobicContact CZ-CB 3.74Å
202Q81.1Confident70.9Confident34 Ų3470.7 Ų70.716%0.15941%0.413CS..Hα-helixtrans-62-38.5177.1-179.863.32700111.5P198 D199 L205 E206P198-Q202 HydrophobicContact CB-CB 4.2Å; P198-Q202 HydrophobicContact CB-CG 4.1Å; D199-Q202 PolarHBondContact O-N 3.49Å; D199-Q202 VanDerWaalsContact OD1-CB 3.29Å; D199-Q202 WeakPolarHBondContact OD1-CB 3.3Å; D199-Q202 PolarHBondContact OD1-N 2.68Å; Q202-L205 PolarHBondContact O-N 2.92Å; Q202-E206 PolarHBondContact NE2-OE1 2.86Å; Q202-E206 WeakPolarHBondContact O-CB 3.3Å; Q202-E206 WeakPolarHBondContact O-CG 3.49Å; Q202-E206 PolarHBondContact O-N 2.68Å
203A82.3Confident72.6Confident42 Ų4269 Ų6935%0.34740%0.398SS..Hα-helixtrans-62.7-41.7175.100000112.5P198 D199 F201 C207P198-A203 HydrophobicContact CB-CB 4.41Å; P198-A203 HydrophobicContact CG-CB 4.45Å; D199-A203 PolarHBondContact O-N 3.44Å; F201-A203 VanDerWaalsContact C-N 3.32Å; F201-A203 PolarHBondContact O-N 2.93Å; A203-C207 WeakPolarHBondContact O-CB 3.49Å; A203-C207 PolarHBondContact O-N 2.95Å
204L87.6Confident74.7Confident44 Ų4464.6 Ų64.623%0.2338%0.377CS..Hα-helixtrans-71.6-35.4175.7-71.4170.1000112.6I172 M176 N200 F201 C207 R208I172-L204 HydrophobicContact CG2-CB 3.83Å; I172-L204 HydrophobicContact CG2-CD1 4.15Å; M176-L204 HydrophobicContact CE-CD1 4.48Å; M176-L204 HydrophobicContact CG-CD1 3.42Å; M176-L204 VanDerWaalsContact CG-CD1 3.42Å; M176-L204 HydrophobicContact SD-CD1 3.85Å; N200-L204 WeakPolarHBondContact O-CG 3.47Å; N200-L204 PolarHBondContact O-N 2.86Å; N200-L204 VanDerWaalsContact O-N 3.14Å; F201-L204 PolarHBondContact O-N 3.37Å; L204-C207 WeakPolarHBondContact O-CB 3.42Å; L204-C207 PolarHBondContact O-N 3.21Å; L204-R208 PolarHBondContact O-N 3.03Å; L204-R208 VanDerWaalsContact O-N 3.1Å
205L85.2Confident76.5Confident3 Ų362.8 Ų62.82%0.01635%0.349CS..Hα-helixtrans-62.6-47173.7-17470.6000111.5L169 I172 F201 Q202 C207 R208 I209 L216 F229L169-L205 HydrophobicContact CD2-CD1 3.63Å; I172-L205 HydrophobicContact CD1-CB 4.03Å; I172-L205 HydrophobicContact CD1-CD1 3.64Å; I172-L205 HydrophobicContact CD1-CG 4.48Å; F201-L205 HydrophobicContact CE1-CD2 4.4Å; F201-L205 WeakPolarHBondContact O-CB 3.43Å; F201-L205 PolarHBondContact O-N 3.14Å; Q202-L205 PolarHBondContact O-N 2.92Å; L205-C207 VanDerWaalsContact C-N 3.34Å; L205-R208 PolarHBondContact O-N 3.13Å; L205-I209 HydrophobicContact CG-CD1 4.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.35Å; L205-I209 PolarHBondContact O-N 3.21Å; L205-I209 VanDerWaalsContact O-N 3.09Å; L205-L216 HydrophobicContact CD1-CD1 3.92Å; L205-L216 HydrophobicContact CD1-CD2 3.86Å; L205-F229 HydrophobicContact CD2-CB 3.67Å; L205-F229 HydrophobicContact CD2-CD2 4.38Å; L205-F229 HydrophobicContact CD2-CG 4.16Å
206E81.8Confident78.3Confident73 Ų7357.4 Ų57.434%0.34132%0.32SS..Hα-helixtrans-65.6-36.9174.7-74.3-175.2-154.400112Q202 R208 I209 N210Q202-E206 PolarHBondContact NE2-OE1 2.86Å; Q202-E206 WeakPolarHBondContact O-CB 3.3Å; Q202-E206 WeakPolarHBondContact O-CG 3.49Å; Q202-E206 PolarHBondContact O-N 2.68Å; E206-R208 PolarHBondContact O-N 2.74Å; E206-I209 PolarHBondContact O-N 2.86Å; E206-N210 WeakPolarHBondContact O-CB 3.45Å; E206-N210 PolarHBondContact O-N 2.73Å; E206-N210 PolarHBondContact O-ND2 2.79Å
207C83.8Confident79.7Confident70 Ų7051.7 Ų51.747%0.47329%0.293SS..Hα-helixtrans-55.2-50.1173.5-168.80000111.1A203 L204 L205 N210 S211A203-C207 WeakPolarHBondContact O-CB 3.49Å; A203-C207 PolarHBondContact O-N 2.95Å; L204-C207 WeakPolarHBondContact O-CB 3.42Å; L204-C207 PolarHBondContact O-N 3.21Å; L205-C207 VanDerWaalsContact C-N 3.34Å; C207-N210 CarbonylContact O-C 3.43Å; C207-N210 WeakPolarHBondContact O-CB 3.38Å; C207-N210 PolarHBondContact O-N 2.72Å; C207-N210 VanDerWaalsContact O-N 3.16Å; C207-S211 PolarHBondContact O-N 2.94Å; C207-S211 PolarHBondContact O-OG 2.89Å; C207-S211 VanDerWaalsContact O-OG 3.06Å
208R84.6Confident81.1Confident58 Ų5853.1 Ų53.122%0.21929%0.293CS..Hα-helixtrans-61.8-43.6176.7-84.1175.1169.1-102.83.1114.3E171 L204 L205 E206 N210 S211 G212 E213 L216E171-R208 VanDerWaalsContact CB-NH2 3.28Å; E171-R208 IonicContact OE2-CZ 3.63Å; E171-R208 IonicContact OE2-NH1 3.76Å; E171-R208 PolarHBondContact OE2-NH1 3.43Å; E171-R208 IonicContact OE2-NH2 2.68Å; E171-R208 PolarHBondContact OE2-NH2 2.92Å; L204-R208 PolarHBondContact O-N 3.03Å; L204-R208 VanDerWaalsContact O-N 3.1Å; L205-R208 PolarHBondContact O-N 3.13Å; E206-R208 PolarHBondContact O-N 2.74Å; R208-N210 PolarHBondContact O-N 2.91Å; R208-S211 PolarHBondContact O-N 3.33Å; R208-S211 VanDerWaalsContact O-N 3.12Å; R208-G212 PolarHBondContact O-N 3.07Å; R208-E213 HydrophobicContact CB-CB 4.44Å; R208-E213 WeakPolarHBondContact CB-OE2 3.36Å; R208-E213 VanDerWaalsContact CD-OE2 3.27Å; R208-E213 WeakPolarHBondContact CD-OE2 3.24Å; R208-E213 WeakPolarHBondContact CG-OE2 3.46Å; R208-E213 IonicContact CZ-OE2 3.21Å; R208-E213 IonicContact NE-OE2 3.14Å; R208-E213 IonicContact NH1-OE1 2.67Å; R208-E213 PolarHBondContact NH1-OE1 3.32Å; R208-E213 IonicContact NH1-OE2 3.59Å; R208-E213 PolarHBondContact NH1-OE2 2.82Å; R208-E213 WeakPolarHBondContact O-CB 3.39Å; R208-E213 PolarHBondContact O-N 2.82Å; R208-L216 HydrophobicContact CB-CD1 3.76Å
209I83Confident81.8Confident18 Ų1854 Ų549%0.09229%0.288CS..Hα-helixtrans-59-37.6174.6-68.6164.4000110.9L205 E206 L216 R217 F220L205-I209 HydrophobicContact CG-CD1 4.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.35Å; L205-I209 PolarHBondContact O-N 3.21Å; L205-I209 VanDerWaalsContact O-N 3.09Å; E206-I209 PolarHBondContact O-N 2.86Å; I209-L216 HydrophobicContact CD1-CB 4.24Å; I209-L216 HydrophobicContact CG1-CB 3.55Å; I209-L216 HydrophobicContact CG1-CD1 4.16Å; I209-R217 HydrophobicContact CG2-CB 4.33Å; I209-R217 PolarHBondContact O-NH2 2.98Å; I209-F220 HydrophobicContact CD1-CB 4.2Å; I209-F220 HydrophobicContact CD1-CD2 3.73Å; I209-F220 HydrophobicContact CD1-CE2 4.44Å; I209-F220 HydrophobicContact CD1-CG 4.18Å
210N78.9Confident81.5Confident96 Ų9654.3 Ų54.351%0.51329%0.288SS..Hα-helixtrans-75.4-33.1175.7-70.2-52.3000112.7E206 C207 R208 G212E206-N210 WeakPolarHBondContact O-CB 3.45Å; E206-N210 PolarHBondContact O-N 2.73Å; E206-N210 PolarHBondContact O-ND2 2.79Å; C207-N210 CarbonylContact O-C 3.43Å; C207-N210 WeakPolarHBondContact O-CB 3.38Å; C207-N210 PolarHBondContact O-N 2.72Å; C207-N210 VanDerWaalsContact O-N 3.16Å; R208-N210 PolarHBondContact O-N 2.91Å; N210-G212 PolarHBondContact O-N 2.62Å
211S84.4Confident80.9Confident101 Ų10159 Ų5971%0.70631%0.308SS*.Hα-helixtrans-66.2-16.6173.8-59.60000114.2C207 R208C207-S211 PolarHBondContact O-N 2.94Å; C207-S211 PolarHBondContact O-OG 2.89Å; C207-S211 VanDerWaalsContact O-OG 3.06Å; R208-S211 PolarHBondContact O-N 3.33Å; R208-S211 VanDerWaalsContact O-N 3.12Å
212G79.4Confident80.1Confident39 Ų3964.4 Ų64.440%0.40234%0.342SS..THydrogen-bonded Turntrans120.511.6174.500000115.7R208 N210 E214R208-G212 PolarHBondContact O-N 3.07Å; N210-G212 PolarHBondContact O-N 2.62Å; G212-E214 PolarHBondContact O-N 2.95Å
213E82.3Confident79.2Confident47 Ų4764.9 Ų64.922%0.2235%0.347CS..  trans-73.390.4-175.6-162.3163.8171.500111.9S168 R208 V215 L216 R217S168-E213 WeakPolarHBondContact CB-OE1 3.42Å; S168-E213 PolarHBondContact OG-OE1 3.32Å; R208-E213 HydrophobicContact CB-CB 4.44Å; R208-E213 WeakPolarHBondContact CB-OE2 3.36Å; R208-E213 VanDerWaalsContact CD-OE2 3.27Å; R208-E213 WeakPolarHBondContact CD-OE2 3.24Å; R208-E213 WeakPolarHBondContact CG-OE2 3.46Å; R208-E213 IonicContact CZ-OE2 3.21Å; R208-E213 IonicContact NE-OE2 3.14Å; R208-E213 IonicContact NH1-OE1 2.67Å; R208-E213 PolarHBondContact NH1-OE1 3.32Å; R208-E213 IonicContact NH1-OE2 3.59Å; R208-E213 PolarHBondContact NH1-OE2 2.82Å; R208-E213 WeakPolarHBondContact O-CB 3.39Å; R208-E213 PolarHBondContact O-N 2.82Å; E213-V215 VanDerWaalsContact C-N 3.33Å; E213-V215 PolarHBondContact O-N 3.14Å; E213-L216 HydrophobicContact CB-CB 4.47Å; E213-L216 HydrophobicContact CB-CD1 4.11Å; E213-L216 HydrophobicContact CB-CG 4.41Å; E213-L216 HydrophobicContact CG-CB 4.43Å; E213-L216 HydrophobicContact CG-CD1 3.96Å; E213-L216 HydrophobicContact CG-CG 3.99Å; E213-L216 PolarHBondContact O-N 2.93Å; E213-R217 PolarHBondContact O-N 2.95Å
214E80.6Confident77.9Confident113 Ų11366.1 Ų66.153%0.52836%0.357SS..Hα-helixtrans-66.6-28.5-166.7-165.765.3-170.400113.8G212 R217 K218G212-E214 PolarHBondContact O-N 2.95Å; E214-R217 PolarHBondContact O-N 2.7Å; E214-R217 WeakPolarHBondContact OE2-CD 3.5Å; E214-R217 IonicContact OE2-CZ 3.62Å; E214-R217 IonicContact OE2-NE 3.96Å; E214-R217 IonicContact OE2-NH1 2.98Å; E214-R217 PolarHBondContact OE2-NH1 3.13Å; E214-K218 VanDerWaalsContact O-CB 3.3Å; E214-K218 WeakPolarHBondContact O-CB 3.29Å; E214-K218 PolarHBondContact O-N 3.35Å
215V81.4Confident75.8Confident50 Ų5067.6 Ų67.630%0.30337%0.368SS..Hα-helixtrans-64.3-47.9174.7178.70000110.5E164 E213 R217 K218 R219E164-V215 HydrophobicContact CB-CG1 4.38Å; E164-V215 HydrophobicContact CB-CG2 4.48Å; E213-V215 VanDerWaalsContact C-N 3.33Å; E213-V215 PolarHBondContact O-N 3.14Å; V215-R217 VanDerWaalsContact C-N 3.35Å; V215-R217 PolarHBondContact O-N 3.07Å; V215-K218 PolarHBondContact O-N 3.24Å; V215-R219 PolarHBondContact O-N 2.85Å; V215-R219 VanDerWaalsContact O-N 3.11Å
216L80.6Confident73.9Confident4 Ų474.3 Ų74.32%0.02140%0.404CS..Hα-helixtrans-60.7-44.1173.3-67.5-179.2000111.1Y165 L169 L205 R208 I209 E213 R219 F220Y165-L216 HydrophobicContact CD2-CD2 3.75Å; Y165-L216 HydrophobicContact CE2-CD2 3.8Å; L169-L216 HydrophobicContact CD2-CD2 4.35Å; L205-L216 HydrophobicContact CD1-CD1 3.92Å; L205-L216 HydrophobicContact CD1-CD2 3.86Å; R208-L216 HydrophobicContact CB-CD1 3.76Å; I209-L216 HydrophobicContact CD1-CB 4.24Å; I209-L216 HydrophobicContact CG1-CB 3.55Å; I209-L216 HydrophobicContact CG1-CD1 4.16Å; E213-L216 HydrophobicContact CB-CB 4.47Å; E213-L216 HydrophobicContact CB-CD1 4.11Å; E213-L216 HydrophobicContact CB-CG 4.41Å; E213-L216 HydrophobicContact CG-CB 4.43Å; E213-L216 HydrophobicContact CG-CD1 3.96Å; E213-L216 HydrophobicContact CG-CG 3.99Å; E213-L216 PolarHBondContact O-N 2.93Å; L216-R219 WeakPolarHBondContact O-CB 3.43Å; L216-R219 PolarHBondContact O-N 3.43Å; L216-F220 VanDerWaalsContact O-CB 3.32Å; L216-F220 WeakPolarHBondContact O-CB 3.49Å; L216-F220 PolarHBondContact O-N 3.31Å
217R79.2Confident72.4Confident71 Ų7174.4 Ų74.427%0.26841%0.409SS..Hα-helixtrans-60.8-48.3178.5-173.6178.1-63.6148.1-3.4112.5I209 E213 E214 V215 R219 F220 E221I209-R217 HydrophobicContact CG2-CB 4.33Å; I209-R217 PolarHBondContact O-NH2 2.98Å; E213-R217 PolarHBondContact O-N 2.95Å; E214-R217 PolarHBondContact O-N 2.7Å; E214-R217 WeakPolarHBondContact OE2-CD 3.5Å; E214-R217 IonicContact OE2-CZ 3.62Å; E214-R217 IonicContact OE2-NE 3.96Å; E214-R217 IonicContact OE2-NH1 2.98Å; E214-R217 PolarHBondContact OE2-NH1 3.13Å; V215-R217 VanDerWaalsContact C-N 3.35Å; V215-R217 PolarHBondContact O-N 3.07Å; R217-R219 VanDerWaalsContact C-N 3.3Å; R217-R219 PolarHBondContact O-N 3.48Å; R217-F220 WeakPolarHBondContact O-CB 3.45Å; R217-F220 PolarHBondContact O-N 3.46Å; R217-F220 VanDerWaalsContact O-N 3.09Å; R217-E221 HydrophobicContact CG-CG 4.49Å; R217-E221 PolarHBondContact O-N 2.88Å
218K78.9Confident71.1Confident99 Ų9976.8 Ų76.843%0.4342%0.417SS..Hα-helixtrans-58.5-42.6177.5-170.5-168.8-176.1-162.40111.2E161 E214 V215 T222E161-K218 IonicContact OE1-NZ 3.71Å; E161-K218 PolarHBondContact OE1-NZ 3.03Å; E161-K218 IonicContact OE2-NZ 3.12Å; E161-K218 PolarHBondContact OE2-NZ 2.91Å; E214-K218 VanDerWaalsContact O-CB 3.3Å; E214-K218 WeakPolarHBondContact O-CB 3.29Å; E214-K218 PolarHBondContact O-N 3.35Å; V215-K218 PolarHBondContact O-N 3.24Å; K218-T222 WeakPolarHBondContact O-CB 3.45Å; K218-T222 PolarHBondContact O-N 3.44Å; K218-T222 PolarHBondContact O-OG1 2.98Å
219R75.6Confident70.1Confident83 Ų8375.3 Ų75.331%0.31341%0.412SS..Hα-helixtrans-63.1-44.4173.9-154.1101.5169.5-168-4.7111.1N162 Y165 V215 L216 R217 T222 T223N162-R219 VanDerWaalsContact OD1-CZ 3.31Å; N162-R219 PolarHBondContact OD1-NH1 3.08Å; N162-R219 PolarHBondContact OD1-NH2 2.91Å; Y165-R219 VanDerWaalsContact CD1-CZ 3.45Å; Y165-R219 HydrophobicContact CD2-CB 4.04Å; Y165-R219 HydrophobicContact CD2-CG 3.79Å; Y165-R219 HydrophobicContact CE2-CB 4.08Å; Y165-R219 HydrophobicContact CE2-CG 3.65Å; Y165-R219 HydrophobicContact CG-CG 4.41Å; V215-R219 PolarHBondContact O-N 2.85Å; V215-R219 VanDerWaalsContact O-N 3.11Å; L216-R219 WeakPolarHBondContact O-CB 3.43Å; L216-R219 PolarHBondContact O-N 3.43Å; R217-R219 VanDerWaalsContact C-N 3.3Å; R217-R219 PolarHBondContact O-N 3.48Å; R219-T222 PolarHBondContact O-N 2.87Å; R219-T223 WeakPolarHBondContact O-CB 3.47Å; R219-T223 PolarHBondContact O-N 3.27Å; R219-T223 VanDerWaalsContact O-N 3.07Å; R219-T223 PolarHBondContact O-OG1 3.37Å
220F71.1Confident69.7Low41 Ų4174.7 Ų74.718%0.1841%0.409CS..Hα-helixtrans-63.2-42.2179.8-170.6-82.5000113.5I209 L216 R217 T222 F229I209-F220 HydrophobicContact CD1-CB 4.2Å; I209-F220 HydrophobicContact CD1-CD2 3.73Å; I209-F220 HydrophobicContact CD1-CE2 4.44Å; I209-F220 HydrophobicContact CD1-CG 4.18Å; L216-F220 VanDerWaalsContact O-CB 3.32Å; L216-F220 WeakPolarHBondContact O-CB 3.49Å; L216-F220 PolarHBondContact O-N 3.31Å; R217-F220 WeakPolarHBondContact O-CB 3.45Å; R217-F220 PolarHBondContact O-N 3.46Å; R217-F220 VanDerWaalsContact O-N 3.09Å; F220-T222 VanDerWaalsContact C-N 3.35Å; F220-F229 HydrophobicContact CB-CE1 4.21Å; F220-F229 HydrophobicContact CB-CZ 4.06Å; F220-F229 HydrophobicContact CD2-CD2 4.07Å; F220-F229 HydrophobicContact CD2-CE1 4.07Å; F220-F229 AromaticContact CD2-CE2 3.28Å; F220-F229 HydrophobicContact CD2-CE2 3.28Å; F220-F229 AromaticContact CD2-CZ 3.29Å; F220-F229 HydrophobicContact CD2-CZ 3.29Å; F220-F229 HydrophobicContact CE2-CD2 4.27Å; F220-F229 AromaticContact CE2-CE2 3.44Å; F220-F229 HydrophobicContact CE2-CE2 3.44Å; F220-F229 VanDerWaalsContact CE2-CE2 3.44Å; F220-F229 AromaticContact CE2-CZ 3.85Å; F220-F229 HydrophobicContact CE2-CZ 3.85Å; F220-F229 HydrophobicContact CG-CE1 4.4Å; F220-F229 HydrophobicContact CG-CE2 4.21Å; F220-F229 AromaticContact CG-CZ 3.76Å; F220-F229 HydrophobicContact CG-CZ 3.76Å; F220-F229 HydrophobicContact CZ-CE2 4.45Å
221E70.9Confident69.8Low151 Ų15172.1 Ų72.171%0.70640%0.399SS*.Hα-helixtrans-73.4-25.2178.4-69.9-174.9-169.400113.5R217R217-E221 HydrophobicContact CG-CG 4.49Å; R217-E221 PolarHBondContact O-N 2.88Å
222T69Low69.7Low116 Ų11672.7 Ų72.771%0.71239%0.389SS*.Hα-helixtrans-89.3-27.9-177.3-53.10000112.8K218 R219 F220K218-T222 WeakPolarHBondContact O-CB 3.45Å; K218-T222 PolarHBondContact O-N 3.44Å; K218-T222 PolarHBondContact O-OG1 2.98Å; R219-T222 PolarHBondContact O-N 2.87Å; F220-T222 VanDerWaalsContact C-N 3.35Å
223T63.6Low70Confident44 Ų4475.2 Ų75.227%0.2740%0.396SS..SBendtrans-72.3146.9-175.8-60.80000112.6R219 T227 F229R219-T223 WeakPolarHBondContact O-CB 3.47Å; R219-T223 PolarHBondContact O-N 3.27Å; R219-T223 VanDerWaalsContact O-N 3.07Å; R219-T223 PolarHBondContact O-OG1 3.37Å; T223-T227 WeakPolarHBondContact CG2-OG1 3.44Å; T223-F229 HydrophobicContact CG2-CE1 3.85Å; T223-F229 HydrophobicContact CG2-CZ 4.21Å
224A54Low70.3Confident67 Ų6774.7 Ų74.755%0.55439%0.394SS*.  trans-64.6156.9179.600000112.6N226 T227A224-N226 VanDerWaalsContact C-N 3.29Å; A224-N226 PolarHBondContact O-N 3.33Å; A224-N226 VanDerWaalsContact O-N 3.11Å; A224-T227 WeakPolarHBondContact CB-OG1 3.29Å; A224-T227 PolarHBondContact O-N 3.11Å; A224-T227 PolarHBondContact O-OG1 2.73Å
225V44.5Very low70.6Confident76 Ų7669.8 Ų69.846%0.46137%0.371SS..THydrogen-bonded Turntrans-60.6-33.1-158.3-176.50000114.2R74 V76R74-V225 PolarHBondContact NH1-O 3.38Å; V76-V225 HydrophobicContact CG1-CG1 3.91Å
226N44.7Very low71Confident143 Ų14375.1 Ų75.177%0.76539%0.386SS*.THydrogen-bonded Turntrans-118.220.8-172.2-57.6-9.5000113.3A224A224-N226 VanDerWaalsContact C-N 3.29Å; A224-N226 PolarHBondContact O-N 3.33Å; A224-N226 VanDerWaalsContact O-N 3.11Å
227T50.3Low71.6Confident75 Ų7577.3 Ų77.346%0.4640%0.396SS..  trans-90.6128.3179.6-110000110.1T223 A224T223-T227 WeakPolarHBondContact CG2-OG1 3.44Å; A224-T227 WeakPolarHBondContact CB-OG1 3.29Å; A224-T227 PolarHBondContact O-N 3.11Å; A224-T227 PolarHBondContact O-OG1 2.73Å
228L56Low72.3Confident120 Ų12073.9 Ų73.963%0.62838%0.383SS*.  trans-63.4135.7170.5-69.8171.6000109.9
229F62.8Low73Confident28 Ų2869.4 Ų69.412%0.12336%0.363CS..SBendtrans-72.3-41.6178.8-74.6-72.7000112.7Y165 L205 F220 T223Y165-F229 PolarHBondContact OH-O 3.18Å; L205-F229 HydrophobicContact CD2-CB 3.67Å; L205-F229 HydrophobicContact CD2-CD2 4.38Å; L205-F229 HydrophobicContact CD2-CG 4.16Å; F220-F229 HydrophobicContact CB-CE1 4.21Å; F220-F229 HydrophobicContact CB-CZ 4.06Å; F220-F229 HydrophobicContact CD2-CD2 4.07Å; F220-F229 HydrophobicContact CD2-CE1 4.07Å; F220-F229 AromaticContact CD2-CE2 3.28Å; F220-F229 HydrophobicContact CD2-CE2 3.28Å; F220-F229 AromaticContact CD2-CZ 3.29Å; F220-F229 HydrophobicContact CD2-CZ 3.29Å; F220-F229 HydrophobicContact CE2-CD2 4.27Å; F220-F229 AromaticContact CE2-CE2 3.44Å; F220-F229 HydrophobicContact CE2-CE2 3.44Å; F220-F229 VanDerWaalsContact CE2-CE2 3.44Å; F220-F229 AromaticContact CE2-CZ 3.85Å; F220-F229 HydrophobicContact CE2-CZ 3.85Å; F220-F229 HydrophobicContact CG-CE1 4.4Å; F220-F229 HydrophobicContact CG-CE2 4.21Å; F220-F229 AromaticContact CG-CZ 3.76Å; F220-F229 HydrophobicContact CG-CZ 3.76Å; F220-F229 HydrophobicContact CZ-CE2 4.45Å; T223-F229 HydrophobicContact CG2-CE1 3.85Å; T223-F229 HydrophobicContact CG2-CZ 4.21Å
230C75.5Confident73.9Confident4 Ų469 Ų693%0.02737%0.365CS..SBendtrans-132.1109.7169.5-166.30000107.2L169 F201 Q234 Q235L169-C230 HydrophobicContact CD1-CB 4.12Å; F201-C230 HydrophobicContact CD1-CB 4.38Å; F201-C230 HydrophobicContact CE1-CB 3.43Å; F201-C230 VanDerWaalsContact CE1-CB 3.43Å; F201-C230 HydrophobicContact CZ-CB 3.74Å; C230-Q234 VanDerWaalsContact SG-CG 3.51Å; C230-Q235 HydrophobicContact CB-CG 4.08Å; C230-Q235 PolarHBondContact O-NE2 2.74Å; C230-Q235 VanDerWaalsContact O-NE2 3.08Å; C230-Q235 WeakPolarHBondContact SG-CG 3.3Å
231S80.4Confident75Confident43 Ų4367.2 Ų67.230%0.30136%0.357SS..  trans-65.8155.917969.80000111T233 Q234 Q235S231-T233 PolarHBondContact O-N 3.34Å; S231-T233 VanDerWaalsContact O-N 3.13Å; S231-Q234 CarbonylContact O-C 3.55Å; S231-Q234 WeakPolarHBondContact O-CA 3.29Å; S231-Q234 WeakPolarHBondContact O-CB 3.42Å; S231-Q234 PolarHBondContact O-N 3.5Å; S231-Q234 WeakPolarHBondContact OG-CB 3.17Å; S231-Q234 PolarHBondContact OG-N 3.28Å; S231-Q234 VanDerWaalsContact OG-N 3.14Å; S231-Q235 WeakPolarHBondContact O-CG 3.38Å; S231-Q235 PolarHBondContact O-N 3.35Å
232K82.6Confident76.1Confident113 Ų11360 Ų6049%0.49132%0.324SS..Hα-helixtrans-55.3-32.7175.6-72.3-160.9174.7-163.90113D184 R236D184-K232 VanDerWaalsContact OD1-CE 3.29Å; D184-K232 WeakPolarHBondContact OD1-CE 3.48Å; D184-K232 IonicContact OD1-NZ 3.51Å; D184-K232 PolarHBondContact OD1-NZ 3.39Å; D184-K232 IonicContact OD2-NZ 3.38Å; D184-K232 PolarHBondContact OD2-NZ 2.96Å; K232-R236 WeakPolarHBondContact O-CB 3.24Å; K232-R236 PolarHBondContact O-N 3.24Å; K232-R236 VanDerWaalsContact O-N 3.1Å
233T86.3Confident77.3Confident92 Ų9255.2 Ų55.256%0.56429%0.293SS*.Hα-helixtrans-64.1-46.5172.5-50.20000111.6S231 R236 Q237S231-T233 PolarHBondContact O-N 3.34Å; S231-T233 VanDerWaalsContact O-N 3.13Å; T233-R236 WeakPolarHBondContact O-CB 3.4Å; T233-R236 PolarHBondContact O-N 2.86Å; T233-Q237 VanDerWaalsContact O-CG 3.3Å; T233-Q237 WeakPolarHBondContact O-CG 3.47Å; T233-Q237 PolarHBondContact O-N 2.95Å
234Q87.4Confident78.8Confident36 Ų3656.3 Ų56.317%0.16830%0.303CS..Hα-helixtrans-66.1-42.2177.7-175.4178.31.500112.2C230 S231 R236 Q237 M238 Y740C230-Q234 VanDerWaalsContact SG-CG 3.51Å; S231-Q234 CarbonylContact O-C 3.55Å; S231-Q234 WeakPolarHBondContact O-CA 3.29Å; S231-Q234 WeakPolarHBondContact O-CB 3.42Å; S231-Q234 PolarHBondContact O-N 3.5Å; S231-Q234 WeakPolarHBondContact OG-CB 3.17Å; S231-Q234 PolarHBondContact OG-N 3.28Å; S231-Q234 VanDerWaalsContact OG-N 3.14Å; Q234-R236 VanDerWaalsContact C-N 3.28Å; Q234-R236 PolarHBondContact O-N 2.76Å; Q234-Q237 PolarHBondContact O-N 2.89Å; Q234-M238 HydrophobicContact CG-CG 4.43Å; Q234-M238 HydrophobicContact CG-SD 4.1Å; Q234-M238 WeakPolarHBondContact O-CB 3.31Å; Q234-M238 VanDerWaalsContact O-CG 3.29Å; Q234-M238 WeakPolarHBondContact O-CG 3.25Å; Q234-M238 PolarHBondContact O-N 2.89Å; Q234-Y740 HydrophobicContact CG-CE2 4.42Å; Q234-Y740 WeakPolarHBondContact CG-OH 3.43Å
235Q88.3Confident80.6Confident9 Ų954.2 Ų54.24%0.04228%0.284CS..Hα-helixtrans-56.7-44174.3-66.3177.727.200110.6C230 S231 M238 L239C230-Q235 HydrophobicContact CB-CG 4.08Å; C230-Q235 PolarHBondContact O-NE2 2.74Å; C230-Q235 VanDerWaalsContact O-NE2 3.08Å; C230-Q235 WeakPolarHBondContact SG-CG 3.3Å; S231-Q235 WeakPolarHBondContact O-CG 3.38Å; S231-Q235 PolarHBondContact O-N 3.35Å; Q235-M238 PolarHBondContact O-N 3.37Å; Q235-L239 WeakPolarHBondContact O-CB 3.08Å; Q235-L239 WeakPolarHBondContact O-CD1 3.49Å; Q235-L239 VanDerWaalsContact O-CG 3.25Å; Q235-L239 WeakPolarHBondContact O-CG 3.35Å; Q235-L239 PolarHBondContact O-N 2.83Å
236R89.3Confident83Confident163 Ų16350.6 Ų50.662%0.61526%0.262SS*.Hα-helixtrans-63.1-50175.4-168.4-172.1-60.4-171.5-2.1112.3K232 T233 Q234 M238 L239 E240K232-R236 WeakPolarHBondContact O-CB 3.24Å; K232-R236 PolarHBondContact O-N 3.24Å; K232-R236 VanDerWaalsContact O-N 3.1Å; T233-R236 WeakPolarHBondContact O-CB 3.4Å; T233-R236 PolarHBondContact O-N 2.86Å; Q234-R236 VanDerWaalsContact C-N 3.28Å; Q234-R236 PolarHBondContact O-N 2.76Å; R236-M238 VanDerWaalsContact C-N 3.27Å; R236-M238 PolarHBondContact O-N 3.5Å; R236-L239 WeakPolarHBondContact O-CB 3.24Å; R236-L239 PolarHBondContact O-N 3.46Å; R236-L239 VanDerWaalsContact O-N 3.08Å; R236-E240 WeakPolarHBondContact CG-OE1 3.2Å; R236-E240 WeakPolarHBondContact O-CG 3.44Å; R236-E240 PolarHBondContact O-N 3.22Å
237Q93.4Very high85.3Confident49 Ų4944.4 Ų44.423%0.22923%0.228CC..Hα-helixtrans-57.7-38.1177.5-74.8170.6-34.200112.7T233 Q234 I241 Y740 Y744T233-Q237 VanDerWaalsContact O-CG 3.3Å; T233-Q237 WeakPolarHBondContact O-CG 3.47Å; T233-Q237 PolarHBondContact O-N 2.95Å; Q234-Q237 PolarHBondContact O-N 2.89Å; Q237-I241 PolarHBondContact O-N 3.25Å; Q237-Y740 HydrophobicContact CB-CE2 4.19Å; Q237-Y744 HydrophobicContact CB-CD2 3.88Å; Q237-Y744 HydrophobicContact CB-CE1 4.45Å; Q237-Y744 HydrophobicContact CB-CE2 3.57Å; Q237-Y744 HydrophobicContact CB-CG 4.41Å; Q237-Y744 HydrophobicContact CG-CD1 4.19Å; Q237-Y744 HydrophobicContact CG-CD2 4.27Å; Q237-Y744 HydrophobicContact CG-CE1 3.86Å; Q237-Y744 HydrophobicContact CG-CE2 3.9Å; Q237-Y744 HydrophobicContact CG-CG 4.39Å
238M94.4Very high87.4Confident0 Ų044.3 Ų44.30%022%0.222CC..Hα-helixtrans-71.9-40.3174.5-68.8-177.566.900111.6L166 L169 F170 L173 Q234 Q235 R236 E240 I241 C242 Y740L166-M238 HydrophobicContact CD2-SD 4.49Å; L169-M238 HydrophobicContact CB-CE 3.5Å; L169-M238 VanDerWaalsContact CB-CE 3.5Å; L169-M238 HydrophobicContact CB-SD 4.09Å; L169-M238 HydrophobicContact CD1-CE 4.46Å; L169-M238 HydrophobicContact CD1-SD 4.1Å; F170-M238 HydrophobicContact CB-CE 4.28Å; F170-M238 HydrophobicContact CD1-CE 3.87Å; F170-M238 HydrophobicContact CD2-CE 3.4Å; F170-M238 VanDerWaalsContact CD2-CE 3.4Å; F170-M238 HydrophobicContact CE1-CB 3.98Å; F170-M238 HydrophobicContact CE1-CE 4Å; F170-M238 HydrophobicContact CE1-CG 4.4Å; F170-M238 WeakPolarHBondContact CE1-O 3.22Å; F170-M238 HydrophobicContact CE2-CE 3.54Å; F170-M238 HydrophobicContact CG-CE 3.57Å; F170-M238 HydrophobicContact CZ-CB 4.21Å; F170-M238 HydrophobicContact CZ-CE 3.84Å; F170-M238 HydrophobicContact CZ-CG 4.14Å; L173-M238 HydrophobicContact CD1-CB 3.4Å; L173-M238 VanDerWaalsContact CD1-CB 3.4Å; L173-M238 HydrophobicContact CD1-CE 4.17Å; L173-M238 HydrophobicContact CD1-CG 4.44Å; L173-M238 HydrophobicContact CD1-SD 4.38Å; Q234-M238 HydrophobicContact CG-CG 4.43Å; Q234-M238 HydrophobicContact CG-SD 4.1Å; Q234-M238 WeakPolarHBondContact O-CB 3.31Å; Q234-M238 VanDerWaalsContact O-CG 3.29Å; Q234-M238 WeakPolarHBondContact O-CG 3.25Å; Q234-M238 PolarHBondContact O-N 2.89Å; Q235-M238 PolarHBondContact O-N 3.37Å; R236-M238 VanDerWaalsContact C-N 3.27Å; R236-M238 PolarHBondContact O-N 3.5Å; M238-E240 PolarHBondContact O-N 2.96Å; M238-I241 CarbonylContact O-C 3.55Å; M238-I241 PolarHBondContact O-N 3.17Å; M238-I241 VanDerWaalsContact O-N 3.12Å; M238-C242 PolarHBondContact O-N 2.94Å; M238-C242 PolarHBondContact O-SG 3.12Å; M238-Y740 HydrophobicContact CG-CD2 3.62Å; M238-Y740 HydrophobicContact CG-CE2 3.58Å
239L93.1Very high89.2Confident4 Ų441.2 Ų41.22%0.02120%0.204CC..Hα-helixtrans-66.1-32.5175.5-77.8165.7000114L173 L183 Q235 R236 I241 C242 E243 N719 L720 L723L173-L239 HydrophobicContact CB-CD2 4.06Å; L173-L239 HydrophobicContact CD1-CG 4.27Å; L173-L239 HydrophobicContact CD2-CD1 4.29Å; L173-L239 HydrophobicContact CD2-CD2 4.17Å; L173-L239 HydrophobicContact CD2-CG 4.05Å; L173-L239 HydrophobicContact CG-CD2 4.5Å; L183-L239 HydrophobicContact CD1-CD1 3.38Å; L183-L239 HydrophobicContact CD2-CD1 3.89Å; L183-L239 HydrophobicContact CG-CD1 4.21Å; Q235-L239 WeakPolarHBondContact O-CB 3.08Å; Q235-L239 WeakPolarHBondContact O-CD1 3.49Å; Q235-L239 VanDerWaalsContact O-CG 3.25Å; Q235-L239 WeakPolarHBondContact O-CG 3.35Å; Q235-L239 PolarHBondContact O-N 2.83Å; R236-L239 WeakPolarHBondContact O-CB 3.24Å; R236-L239 PolarHBondContact O-N 3.46Å; R236-L239 VanDerWaalsContact O-N 3.08Å; L239-I241 VanDerWaalsContact C-N 3.26Å; L239-I241 PolarHBondContact O-N 3.44Å; L239-C242 PolarHBondContact O-N 3.08Å; L239-E243 VanDerWaalsContact O-CB 3.26Å; L239-E243 WeakPolarHBondContact O-CB 3.5Å; L239-E243 PolarHBondContact O-N 3.36Å; L239-N719 HydrophobicContact CB-CB 3.99Å; L239-N719 PolarHBondContact O-ND2 2.85Å; L239-L720 HydrophobicContact CD2-CD2 4Å; L239-L723 HydrophobicContact CD2-CD1 3.88Å
240E93.6Very high90.6Very high74 Ų7439.9 Ų39.935%0.34620%0.198SC..Hα-helixtrans-62-37170.6-72.3161.2-172.200111R236 M238 S244 N719 Y744R236-E240 WeakPolarHBondContact CG-OE1 3.2Å; R236-E240 WeakPolarHBondContact O-CG 3.44Å; R236-E240 PolarHBondContact O-N 3.22Å; M238-E240 PolarHBondContact O-N 2.96Å; E240-S244 VanDerWaalsContact O-CB 3.29Å; E240-S244 WeakPolarHBondContact O-CB 3.43Å; E240-S244 PolarHBondContact O-N 3.47Å; E240-N719 PolarHBondContact N-ND2 3.18Å; E240-Y744 PolarHBondContact OE2-OH 3.18Å
241I95.1Very high91.6Very high4 Ų439.9 Ų39.92%0.02120%0.198CC..Hα-helixtrans-76.6-40.9175.8-68.7173.5000111.6F170 Q237 M238 L239 E243 S244 C245 M736 T739 Y740 L743 Y744F170-I241 HydrophobicContact CE1-CB 4.26Å; F170-I241 HydrophobicContact CE1-CG2 4Å; F170-I241 HydrophobicContact CZ-CB 4.33Å; F170-I241 HydrophobicContact CZ-CG2 3.95Å; Q237-I241 PolarHBondContact O-N 3.25Å; M238-I241 CarbonylContact O-C 3.55Å; M238-I241 PolarHBondContact O-N 3.17Å; M238-I241 VanDerWaalsContact O-N 3.12Å; L239-I241 VanDerWaalsContact C-N 3.26Å; L239-I241 PolarHBondContact O-N 3.44Å; I241-E243 VanDerWaalsContact C-N 3.26Å; I241-E243 PolarHBondContact O-N 3.41Å; I241-S244 PolarHBondContact O-N 3.09Å; I241-C245 WeakPolarHBondContact O-CB 3.5Å; I241-C245 PolarHBondContact O-N 3.23Å; I241-C245 PolarHBondContact O-SG 2.84Å; I241-M736 HydrophobicContact CG2-CB 4.14Å; I241-M736 HydrophobicContact CG2-CG 4.21Å; I241-T739 HydrophobicContact CD1-CG2 4.12Å; I241-T739 HydrophobicContact CG1-CG2 4.21Å; I241-T739 HydrophobicContact CG2-CG2 4.14Å; I241-Y740 HydrophobicContact CD1-CD2 4.01Å; I241-Y740 HydrophobicContact CD1-CG 4.31Å; I241-L743 HydrophobicContact CD1-CD1 4.21Å; I241-L743 HydrophobicContact CG1-CD1 4.43Å; I241-Y744 HydrophobicContact CD1-CD2 4.03Å; I241-Y744 HydrophobicContact CD1-CE2 3.87Å; I241-Y744 HydrophobicContact CG1-CE2 4.44Å
242C94.7Very high92.2Very high0 Ų042.1 Ų42.10%020%0.2CC..Hα-helixtrans-53.7-47.8170.2-63.30000110.7F170 M238 L239 I246 L723F170-C242 VanDerWaalsContact CD1-SG 3.52Å; M238-C242 PolarHBondContact O-N 2.94Å; M238-C242 PolarHBondContact O-SG 3.12Å; L239-C242 PolarHBondContact O-N 3.08Å; C242-I246 WeakPolarHBondContact O-CB 3.27Å; C242-I246 PolarHBondContact O-N 2.75Å; C242-L723 HydrophobicContact CB-CD1 3.97Å; C242-L723 HydrophobicContact CB-CD2 3.88Å; C242-L723 HydrophobicContact CB-CG 4.46Å
243E93.9Very high92.8Very high16 Ų1639.8 Ų39.88%0.07519%0.191CC..Hα-helixtrans-62.3-49.3177.5-167.5-163.1101.800111.1L239 I241 R247 S718 N719 L722L239-E243 VanDerWaalsContact O-CB 3.26Å; L239-E243 WeakPolarHBondContact O-CB 3.5Å; L239-E243 PolarHBondContact O-N 3.36Å; I241-E243 VanDerWaalsContact C-N 3.26Å; I241-E243 PolarHBondContact O-N 3.41Å; E243-R247 VanDerWaalsContact CD-NH2 3.33Å; E243-R247 VanDerWaalsContact O-CB 3.24Å; E243-R247 WeakPolarHBondContact O-CB 3.42Å; E243-R247 PolarHBondContact O-N 3.26Å; E243-R247 IonicContact OE1-CZ 3.64Å; E243-R247 IonicContact OE1-NH1 2.78Å; E243-R247 PolarHBondContact OE1-NH1 2.75Å; E243-R247 IonicContact OE1-NH2 3.38Å; E243-R247 PolarHBondContact OE1-NH2 3.12Å; E243-S718 PolarHBondContact OE2-OG 3.14Å; E243-N719 WeakPolarHBondContact OE2-CA 3.15Å; E243-N719 PolarHBondContact OE2-N 3.48Å; E243-N719 PolarHBondContact OE2-ND2 3.49Å; E243-L722 HydrophobicContact CB-CD2 4.32Å; E243-L722 HydrophobicContact CG-CB 4.04Å; E243-L722 HydrophobicContact CG-CD2 3.51Å; E243-L722 HydrophobicContact CG-CG 4.35Å; E243-L722 WeakPolarHBondContact O-CD2 3.2Å
244S93.4Very high93.2Very high67 Ų6735.4 Ų35.447%0.46916%0.164SC..Hα-helixtrans-64.9-44.9-177.2-165.10000113E240 I241 E248E240-S244 VanDerWaalsContact O-CB 3.29Å; E240-S244 WeakPolarHBondContact O-CB 3.43Å; E240-S244 PolarHBondContact O-N 3.47Å; I241-S244 PolarHBondContact O-N 3.09Å; S244-E248 VanDerWaalsContact O-CB 3.24Å; S244-E248 WeakPolarHBondContact O-CB 3.37Å; S244-E248 PolarHBondContact O-N 3.4Å
245C93.7Very high93.6Very high22 Ų2237.7 Ų37.715%0.14917%0.171CC..Hα-helixtrans-70.1-40.1-177.3-68.80000112.5I241 E248 E249 M736I241-C245 WeakPolarHBondContact O-CB 3.5Å; I241-C245 PolarHBondContact O-N 3.23Å; I241-C245 PolarHBondContact O-SG 2.84Å; C245-E248 PolarHBondContact O-N 2.88Å; C245-E249 PolarHBondContact O-N 3.24Å; C245-M736 HydrophobicContact CB-CE 3.67Å; C245-M736 HydrophobicContact CB-CG 3.95Å
246I92.9Very high93.9Very high0 Ų042.8 Ų42.80%020%0.198CC..Hα-helixtrans-71.1-35.2177.2-78.6162000111.5C242 T250 L722 L723 N726 I729 H731 M736C242-I246 WeakPolarHBondContact O-CB 3.27Å; C242-I246 PolarHBondContact O-N 2.75Å; I246-T250 PolarHBondContact O-OG1 3.05Å; I246-L722 HydrophobicContact CG2-CD2 4.47Å; I246-L723 HydrophobicContact CD1-CD2 3.36Å; I246-N726 HydrophobicContact CG2-CB 3.84Å; I246-I729 HydrophobicContact CG2-CB 4.22Å; I246-I729 HydrophobicContact CG2-CG2 4.27Å; I246-H731 HydrophobicContact CD1-CB 4.26Å; I246-H731 HydrophobicContact CG1-CB 4.17Å; I246-M736 HydrophobicContact CD1-CE 4.13Å; I246-M736 HydrophobicContact CG1-CE 4.11Å
247R94.8Very high94Very high14 Ų1435.3 Ų35.35%0.05317%0.171CC..Hα-helixtrans-61.9-48.1170-178.3-176.1-69.4115.92.7111.7E243 E249 T250 L251 I294 W318 L722E243-R247 VanDerWaalsContact CD-NH2 3.33Å; E243-R247 VanDerWaalsContact O-CB 3.24Å; E243-R247 WeakPolarHBondContact O-CB 3.42Å; E243-R247 PolarHBondContact O-N 3.26Å; E243-R247 IonicContact OE1-CZ 3.64Å; E243-R247 IonicContact OE1-NH1 2.78Å; E243-R247 PolarHBondContact OE1-NH1 2.75Å; E243-R247 IonicContact OE1-NH2 3.38Å; E243-R247 PolarHBondContact OE1-NH2 3.12Å; R247-E249 VanDerWaalsContact C-N 3.27Å; R247-E249 PolarHBondContact O-N 2.88Å; R247-T250 WeakPolarHBondContact O-CA 3.42Å; R247-T250 WeakPolarHBondContact O-CB 3.35Å; R247-T250 PolarHBondContact O-N 3.04Å; R247-L251 HydrophobicContact CG-CD1 3.65Å; R247-L251 HydrophobicContact CG-CG 4.03Å; R247-L251 WeakPolarHBondContact O-CG 3.44Å; R247-L251 PolarHBondContact O-N 3.45Å; R247-I294 HydrophobicContact CG-CG2 4.02Å; R247-I294 PolarHBondContact NE-O 2.93Å; R247-I294 PolarHBondContact NH2-O 3.23Å; R247-W318 VanDerWaalsContact CD-CD1 3.49Å; R247-L722 HydrophobicContact CB-CD2 3.96Å
248E94.7Very high93.9Very high72 Ų7236.9 Ų36.934%0.33618%0.178SC..Hα-helixtrans-65.4-27.6-174.9174.953.9-164.100113.2S244 C245 L251 R252 R255S244-E248 VanDerWaalsContact O-CB 3.24Å; S244-E248 WeakPolarHBondContact O-CB 3.37Å; S244-E248 PolarHBondContact O-N 3.4Å; C245-E248 PolarHBondContact O-N 2.88Å; E248-L251 PolarHBondContact O-N 3.47Å; E248-R252 WeakPolarHBondContact O-CB 3.18Å; E248-R252 PolarHBondContact O-N 3.03Å; E248-R255 IonicContact OE1-CZ 2.7Å; E248-R255 IonicContact OE1-NH1 3.32Å; E248-R255 PolarHBondContact OE1-NH1 3.3Å; E248-R255 IonicContact OE1-NH2 3.43Å; E248-R255 PolarHBondContact OE1-NH2 3.13Å; E248-R255 IonicContact OE2-CZ 3.48Å; E248-R255 IonicContact OE2-NH1 3.88Å; E248-R255 PolarHBondContact OE2-NH1 3.32Å; E248-R255 IonicContact OE2-NH2 2.78Å
249E92.8Very high94Very high56 Ų5637.8 Ų37.826%0.26218%0.182SC..Hα-helixtrans-61.3-46.6168.8-162.866.8-162.800111.3C245 R247 R252 E253 I729C245-E249 PolarHBondContact O-N 3.24Å; R247-E249 VanDerWaalsContact C-N 3.27Å; R247-E249 PolarHBondContact O-N 2.88Å; E249-R252 WeakPolarHBondContact O-CB 3.28Å; E249-R252 PolarHBondContact O-N 3.4Å; E249-R252 IonicContact OE1-CZ 3.32Å; E249-R252 IonicContact OE1-NH1 2.84Å; E249-R252 PolarHBondContact OE1-NH1 3.32Å; E249-R252 IonicContact OE2-CZ 2.84Å; E249-R252 IonicContact OE2-NH1 2.7Å; E249-R252 PolarHBondContact OE2-NH1 3.26Å; E249-R252 IonicContact OE2-NH2 2.75Å; E249-R252 PolarHBondContact OE2-NH2 3.23Å; E249-E253 PolarHBondContact O-N 3.05Å; E249-I729 HydrophobicContact CB-CG2 3.87Å; E249-I729 HydrophobicContact CG-CG2 3.92Å
250T92.5Very high94.2Very high0 Ų037.7 Ų37.70%018%0.182CC..Hα-helixtrans-65.1-42.7176.9-39.70000111.6I246 R247 R252 E253 V254 E292 I294 I729I246-T250 PolarHBondContact O-OG1 3.05Å; R247-T250 WeakPolarHBondContact O-CA 3.42Å; R247-T250 WeakPolarHBondContact O-CB 3.35Å; R247-T250 PolarHBondContact O-N 3.04Å; T250-R252 VanDerWaalsContact C-N 3.26Å; T250-R252 PolarHBondContact O-N 3.33Å; T250-E253 PolarHBondContact O-N 3.17Å; T250-V254 WeakPolarHBondContact O-CG2 3.03Å; T250-V254 PolarHBondContact O-N 3.19Å; T250-E292 HydrophobicContact CG2-CB 3.84Å; T250-E292 HydrophobicContact CG2-CG 4.27Å; T250-I294 HydrophobicContact CG2-CD1 3.62Å; T250-I729 WeakPolarHBondContact OG1-CD1 3.3Å
251L95.5Very high94.4Very high4 Ų434.2 Ų34.22%0.02117%0.166CC..Hα-helixtrans-65.7-29.5178.7-66.2171.7000112R247 E248 V254 R255 I294 W318 L320R247-L251 HydrophobicContact CG-CD1 3.65Å; R247-L251 HydrophobicContact CG-CG 4.03Å; R247-L251 WeakPolarHBondContact O-CG 3.44Å; R247-L251 PolarHBondContact O-N 3.45Å; E248-L251 PolarHBondContact O-N 3.47Å; L251-V254 PolarHBondContact O-N 2.91Å; L251-R255 VanDerWaalsContact O-CG 3.24Å; L251-R255 WeakPolarHBondContact O-CG 3.24Å; L251-R255 PolarHBondContact O-N 2.93Å; L251-R255 PolarHBondContact O-NE 2.92Å; L251-I294 HydrophobicContact CD2-CD1 4.32Å; L251-I294 HydrophobicContact CD2-CG2 3.97Å; L251-W318 HydrophobicContact CD1-CB 3.89Å; L251-W318 HydrophobicContact CD1-CG 4.34Å; L251-W318 WeakPolarHBondContact CD1-O 3.48Å; L251-W318 HydrophobicContact CD2-CB 4.04Å; L251-L320 HydrophobicContact CD2-CD1 3.87Å; L251-L320 HydrophobicContact CD2-CD2 3.82Å; L251-L320 HydrophobicContact CD2-CG 3.84Å
252R94.6Very high94.6Very high90 Ų9034 Ų3434%0.3417%0.165SC..Hα-helixtrans-63.1-53.6171.6-157.3-172.9-51.5119.715.8111E248 E249 T250 V254 R255 D256E248-R252 WeakPolarHBondContact O-CB 3.18Å; E248-R252 PolarHBondContact O-N 3.03Å; E249-R252 WeakPolarHBondContact O-CB 3.28Å; E249-R252 PolarHBondContact O-N 3.4Å; E249-R252 IonicContact OE1-CZ 3.32Å; E249-R252 IonicContact OE1-NH1 2.84Å; E249-R252 PolarHBondContact OE1-NH1 3.32Å; E249-R252 IonicContact OE2-CZ 2.84Å; E249-R252 IonicContact OE2-NH1 2.7Å; E249-R252 PolarHBondContact OE2-NH1 3.26Å; E249-R252 IonicContact OE2-NH2 2.75Å; E249-R252 PolarHBondContact OE2-NH2 3.23Å; T250-R252 VanDerWaalsContact C-N 3.26Å; T250-R252 PolarHBondContact O-N 3.33Å; R252-V254 PolarHBondContact O-N 3.2Å; R252-R255 PolarHBondContact O-N 2.84Å; R252-D256 VanDerWaalsContact O-CG 3.24Å; R252-D256 PolarHBondContact O-N 3.06Å
253E93.9Very high94.6Very high63 Ų6334 Ų3429%0.29417%0.165SC..Hα-helixtrans-54.8-39.3176.3-65.3-164.1-122.400112.8E249 T250 S257 F282 R290E249-E253 PolarHBondContact O-N 3.05Å; T250-E253 PolarHBondContact O-N 3.17Å; E253-S257 WeakPolarHBondContact O-CB 3.2Å; E253-S257 PolarHBondContact O-N 3Å; E253-F282 HydrophobicContact CB-CE2 3.73Å; E253-F282 HydrophobicContact CB-CZ 3.93Å; E253-R290 IonicContact OE1-CZ 3.16Å; E253-R290 IonicContact OE1-NH1 2.76Å; E253-R290 PolarHBondContact OE1-NH1 2.94Å; E253-R290 IonicContact OE1-NH2 2.62Å; E253-R290 IonicContact OE2-CZ 2.74Å; E253-R290 IonicContact OE2-NH1 2.74Å; E253-R290 PolarHBondContact OE2-NH1 3.43Å
254V95.6Very high94.7Very high0 Ų033.2 Ų33.20%016%0.161CC..Hα-helixtrans-63.5-45.2176.6176.20000111.4T250 L251 R252 S257 H258 F260 V280 F282 L320T250-V254 WeakPolarHBondContact O-CG2 3.03Å; T250-V254 PolarHBondContact O-N 3.19Å; L251-V254 PolarHBondContact O-N 2.91Å; R252-V254 PolarHBondContact O-N 3.2Å; V254-S257 WeakPolarHBondContact O-CB 3.42Å; V254-S257 PolarHBondContact O-N 2.84Å; V254-H258 PolarHBondContact O-N 2.65Å; V254-F260 HydrophobicContact CG1-CB 3.82Å; V254-F260 HydrophobicContact CG1-CD1 4.12Å; V254-F260 HydrophobicContact CG1-CG 3.96Å; V254-V280 HydrophobicContact CG1-CG1 3.85Å; V254-V280 HydrophobicContact CG2-CG1 3.94Å; V254-F282 HydrophobicContact CG2-CD1 3.61Å; V254-F282 HydrophobicContact CG2-CE1 3.77Å; V254-F282 HydrophobicContact CG2-CG 4.06Å; V254-F282 HydrophobicContact CG2-CZ 4.33Å; V254-L320 HydrophobicContact CB-CD2 4.18Å; V254-L320 HydrophobicContact CG1-CD1 4.36Å; V254-L320 HydrophobicContact CG1-CD2 3.66Å
255R95.4Very high94.6Very high84 Ų8430.5 Ų30.532%0.31714%0.141SC..Hα-helixtrans-69.8-36.1179.9-67.2174.6-46.6-128.94.7111.7E248 L251 R252 S257 H258 L320E248-R255 IonicContact OE1-CZ 2.7Å; E248-R255 IonicContact OE1-NH1 3.32Å; E248-R255 PolarHBondContact OE1-NH1 3.3Å; E248-R255 IonicContact OE1-NH2 3.43Å; E248-R255 PolarHBondContact OE1-NH2 3.13Å; E248-R255 IonicContact OE2-CZ 3.48Å; E248-R255 IonicContact OE2-NH1 3.88Å; E248-R255 PolarHBondContact OE2-NH1 3.32Å; E248-R255 IonicContact OE2-NH2 2.78Å; L251-R255 VanDerWaalsContact O-CG 3.24Å; L251-R255 WeakPolarHBondContact O-CG 3.24Å; L251-R255 PolarHBondContact O-N 2.93Å; L251-R255 PolarHBondContact O-NE 2.92Å; R252-R255 PolarHBondContact O-N 2.84Å; R255-S257 VanDerWaalsContact C-N 3.34Å; R255-H258 WeakPolarHBondContact O-CA 3.49Å; R255-H258 PolarHBondContact O-N 3.07Å; R255-L320 HydrophobicContact CG-CD2 3.98Å
256D93.8Very high94.5Very high116 Ų11631.8 Ų31.862%0.6215%0.146SC*.Hα-helixtrans-70-30.7175.1-62.1-28000111.8R252 H258R252-D256 VanDerWaalsContact O-CG 3.24Å; R252-D256 PolarHBondContact O-N 3.06Å; D256-H258 PolarHBondContact O-N 3.29Å
257S92.3Very high94.4Very high7 Ų733 Ų335%0.04915%0.154CC..THydrogen-bonded Turntrans-67.4-17.6168.7-163.60000113.7E253 V254 R255 F259 V283 K682E253-S257 WeakPolarHBondContact O-CB 3.2Å; E253-S257 PolarHBondContact O-N 3Å; V254-S257 WeakPolarHBondContact O-CB 3.42Å; V254-S257 PolarHBondContact O-N 2.84Å; R255-S257 VanDerWaalsContact C-N 3.34Å; S257-F259 VanDerWaalsContact C-N 3.26Å; S257-F259 PolarHBondContact O-N 2.92Å; S257-V283 WeakPolarHBondContact CB-O 3.41Å; S257-V283 PolarHBondContact OG-N 2.95Å; S257-V283 PolarHBondContact OG-O 3.47Å; S257-K682 PolarHBondContact O-NZ 3.34Å; S257-K682 PolarHBondContact OG-NZ 3.36Å; S257-K682 VanDerWaalsContact OG-NZ 3.09Å
258H91.2Very high94.3Very high81 Ų8133.1 Ų33.138%0.37516%0.156SC..  trans68.8-65.7-173.7-153.869.9000113.7V254 R255 D256 Y324V254-H258 PolarHBondContact O-N 2.65Å; R255-H258 WeakPolarHBondContact O-CA 3.49Å; R255-H258 PolarHBondContact O-N 3.07Å; D256-H258 PolarHBondContact O-N 3.29Å; H258-Y324 AromaticContact CE1-CE1 3.56Å; H258-Y324 AromaticContact CE1-CE2 3.63Å; H258-Y324 AromaticContact CE1-CZ 3.28Å; H258-Y324 PolarHBondContact CE1-OH 2.82Å; H258-Y324 AromaticContact ND1-CE2 3.94Å; H258-Y324 AromaticContact NE2-CD1 3.71Å; H258-Y324 AromaticContact NE2-CE1 3.35Å; H258-Y324 VanDerWaalsContact NE2-CE1 3.35Å; H258-Y324 WeakPolarHBondContact NE2-CE1 3.36Å; H258-Y324 AromaticContact NE2-CZ 3.61Å; H258-Y324 WeakPolarHBondContact O-CB 3.49Å
259F96.8Very high94.2Very high19 Ų1932.7 Ų32.78%0.08316%0.156CC..  trans-94.6141.5-176.2-55.5-65.4000112.8S257 Y324 R326 D631 V683 I686S257-F259 VanDerWaalsContact C-N 3.26Å; S257-F259 PolarHBondContact O-N 2.92Å; F259-Y324 WeakPolarHBondContact CA-O 3.49Å; F259-Y324 HydrophobicContact CE1-CD1 4.33Å; F259-R326 HydrophobicContact CB-CG 4.42Å; F259-R326 HydrophobicContact CD1-CG 4.22Å; F259-D631 HydrophobicContact CE1-CB 4.09Å; F259-D631 HydrophobicContact CE2-CB 4.36Å; F259-D631 HydrophobicContact CZ-CB 3.6Å; F259-V683 HydrophobicContact CD1-CG2 4.49Å; F259-V683 HydrophobicContact CD2-CG2 3.64Å; F259-V683 HydrophobicContact CE2-CG2 3.83Å; F259-V683 HydrophobicContact CG-CG2 4Å; F259-V683 HydrophobicContact CZ-CG2 4.35Å; F259-I686 HydrophobicContact CB-CD1 3.48Å; F259-I686 VanDerWaalsContact CB-CD1 3.48Å
260F97.9Very high94.1Very high3 Ų330.4 Ų30.41%0.01315%0.146CC..EExtended strand (participates in β ladder)trans-147.4169-179.668.4-84.4000113.2V254 I262 V280 R281 F282 L320 N321 M322 Y324 C325 R326V254-F260 HydrophobicContact CG1-CB 3.82Å; V254-F260 HydrophobicContact CG1-CD1 4.12Å; V254-F260 HydrophobicContact CG1-CG 3.96Å; F260-I262 HydrophobicContact CD2-CG1 4.18Å; F260-I262 HydrophobicContact CE2-CD1 4.07Å; F260-I262 HydrophobicContact CE2-CG1 3.84Å; F260-V280 HydrophobicContact CB-CG1 3.85Å; F260-V280 HydrophobicContact CD2-CG1 3.92Å; F260-V280 HydrophobicContact CG-CG1 4.2Å; F260-R281 CarbonylContact C-O 3.58Å; F260-R281 VanDerWaalsContact CA-O 3.28Å; F260-R281 WeakPolarHBondContact CA-O 3.31Å; F260-F282 HydrophobicContact CB-CB 4.39Å; F260-L320 HydrophobicContact CE1-CB 4.29Å; F260-L320 HydrophobicContact CE2-CB 4.39Å; F260-L320 HydrophobicContact CE2-CD1 4.17Å; F260-L320 HydrophobicContact CZ-CB 3.85Å; F260-L320 HydrophobicContact CZ-CD1 4.41Å; F260-N321 WeakPolarHBondContact CE1-O 3.43Å; F260-M322 HydrophobicContact CZ-SD 4.39Å; F260-Y324 PolarHBondContact N-O 3.02Å; F260-Y324 VanDerWaalsContact N-O 3.17Å; F260-C325 HydrophobicContact CE1-CB 4.49Å; F260-C325 HydrophobicContact CE2-CB 3.99Å; F260-C325 HydrophobicContact CZ-CB 3.92Å; F260-C325 CarbonylContact O-C 3.24Å; F260-C325 VanDerWaalsContact O-CA 3.28Å; F260-C325 WeakPolarHBondContact O-CA 3.47Å; F260-R326 PolarHBondContact O-N 3.1Å
261S98Very high93.8Very high0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-129.4152.2170.2-63.10000111V280 R281 G327 I686S261-V280 WeakPolarHBondContact O-CA 3.49Å; S261-R281 PolarHBondContact N-O 3.21Å; S261-R281 PolarHBondContact O-N 2.89Å; S261-G327 CarbonylContact C-O 3.51Å; S261-G327 WeakPolarHBondContact CA-O 3.5Å; S261-G327 WeakPolarHBondContact CB-O 3.43Å; S261-G327 WeakPolarHBondContact OG-CA 3.38Å; S261-G327 PolarHBondContact OG-N 3.28Å; S261-I686 WeakPolarHBondContact CB-O 3.45Å; S261-I686 PolarHBondContact OG-O 3.44Å
262I97.7Very high93.4Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-106.8136.7-179-59.4155.3000109.6F260 V278 F310 I314 M322 G327 Q328 A329F260-I262 HydrophobicContact CD2-CG1 4.18Å; F260-I262 HydrophobicContact CE2-CD1 4.07Å; F260-I262 HydrophobicContact CE2-CG1 3.84Å; I262-V278 HydrophobicContact CG2-CG1 3.84Å; I262-F310 HydrophobicContact CG2-CE1 4.02Å; I262-F310 HydrophobicContact CG2-CZ 3.74Å; I262-I314 HydrophobicContact CD1-CD1 3.61Å; I262-I314 HydrophobicContact CD1-CG2 4.38Å; I262-I314 HydrophobicContact CG1-CD1 4.15Å; I262-I314 HydrophobicContact CG2-CD1 4.07Å; I262-M322 HydrophobicContact CD1-CE 3.83Å; I262-M322 HydrophobicContact CD1-SD 3.54Å; I262-M322 VanDerWaalsContact CD1-SD 3.54Å; I262-G327 PolarHBondContact N-O 3.48Å; I262-Q328 WeakPolarHBondContact O-CA 3.32Å; I262-A329 PolarHBondContact O-N 3.31Å
263I96.3Very high93.2Very high0 Ų038.5 Ų38.50%022%0.216CC..EExtended strand (participates in β ladder)trans-138.8134.3179.1-46.2170.1000110.1L279 R281 E291 A329 I331 C359 P688I263-L279 PolarHBondContact N-O 2.97Å; I263-L279 WeakPolarHBondContact O-CA 3.47Å; I263-L279 PolarHBondContact O-N 2.92Å; I263-R281 HydrophobicContact CD1-CB 4.02Å; I263-E291 HydrophobicContact CD1-CG 4.46Å; I263-E291 VanDerWaalsContact CD1-OE2 3.27Å; I263-E291 WeakPolarHBondContact CD1-OE2 3.31Å; I263-A329 VanDerWaalsContact CA-O 3.27Å; I263-A329 WeakPolarHBondContact CA-O 3.48Å; I263-A329 HydrophobicContact CG1-CB 4.49Å; I263-A329 HydrophobicContact CG2-CB 4.16Å; I263-I331 HydrophobicContact CG2-CD1 4.2Å; I263-I331 HydrophobicContact CG2-CG1 4.38Å; I263-C359 HydrophobicContact CG2-CB 4.14Å; I263-P688 HydrophobicContact CD1-CB 4.04Å; I263-P688 HydrophobicContact CD1-CG 4.29Å; I263-P688 HydrophobicContact CG1-CB 4.12Å; I263-P688 HydrophobicContact CG1-CG 4.04Å
264T95.1Very high93.2Very high0 Ų040.2 Ų40.20%023%0.225CC..EExtended strand (participates in β ladder)trans-104.2165.1168.8740000112.5P277 V278 F310 A329 Y330 I331 V332 M340 R701T264-P277 VanDerWaalsContact CA-O 3.25Å; T264-P277 WeakPolarHBondContact CA-O 3.29Å; T264-P277 WeakPolarHBondContact CB-O 3.14Å; T264-V278 HydrophobicContact CG2-CG2 4.5Å; T264-F310 HydrophobicContact CG2-CE2 3.91Å; T264-F310 HydrophobicContact CG2-CZ 4.14Å; T264-A329 PolarHBondContact N-O 3.06Å; T264-Y330 HydrophobicContact CG2-CD1 3.7Å; T264-Y330 HydrophobicContact CG2-CE1 3.9Å; T264-I331 WeakPolarHBondContact O-CB 3.35Å; T264-I331 WeakPolarHBondContact O-CG1 3.48Å; T264-V332 VanDerWaalsContact OG1-CG2 3.3Å; T264-V332 WeakPolarHBondContact OG1-CG2 3.49Å; T264-M340 HydrophobicContact CG2-CE 4.47Å; T264-R701 PolarHBondContact O-NH1 3.26Å
265D91.9Very high93.1Very high10 Ų1041.1 Ų41.15%0.05323%0.229CC..  trans-113.2-172.9161.7-138.8-47000109P277 I331 R701 L704 K705D265-P277 HydrophobicContact CB-CB 4.5Å; D265-P277 HydrophobicContact CB-CG 4.3Å; D265-P277 PolarHBondContact N-O 3.32Å; D265-I331 CarbonylContact C-O 3.51Å; D265-R701 VanDerWaalsContact CG-NH1 3.26Å; D265-R701 WeakPolarHBondContact OD2-CD 3.49Å; D265-R701 IonicContact OD2-CZ 3.13Å; D265-R701 IonicContact OD2-NE 2.73Å; D265-R701 IonicContact OD2-NH1 2.67Å; D265-R701 PolarHBondContact OD2-NH1 2.94Å; D265-L704 HydrophobicContact CB-CD2 4.35Å; D265-K705 VanDerWaalsContact OD2-CE 3.26Å; D265-K705 WeakPolarHBondContact OD2-CE 3.3Å; D265-K705 IonicContact OD2-NZ 3.82Å
266D90.3Very high93.1Very high48 Ų4837.1 Ų37.126%0.25721%0.214SC..  trans-55.8153.5177.8-70.5-52.6000113.2P277 I331 S333 K370D266-P277 WeakPolarHBondContact O-CD 3.38Å; D266-P277 WeakPolarHBondContact O-CG 3.28Å; D266-I331 PolarHBondContact N-O 3.26Å; D266-S333 WeakPolarHBondContact OD1-CB 3.36Å; D266-S333 PolarHBondContact OD1-N 3.28Å; D266-S333 PolarHBondContact OD1-OG 3.35Å; D266-K370 IonicContact OD1-NZ 3.77Å; D266-K370 PolarHBondContact OD1-NZ 2.84Å; D266-K370 IonicContact OD2-NZ 2.67Å; D266-K370 PolarHBondContact OD2-NZ 2.69Å
267V92.1Very high93.2Very high26 Ų2631.7 Ų31.716%0.15818%0.184CC..  trans-61.4135.2170.9178.70000109.8E274 H275 L276 Y299 V332 F336V267-E274 HydrophobicContact CG1-CB 3.79Å; V267-E274 HydrophobicContact CG1-CG 4.15Å; V267-H275 CarbonylContact C-O 3.55Å; V267-H275 WeakPolarHBondContact CA-O 3.35Å; V267-L276 HydrophobicContact CG2-CD2 3.83Å; V267-L276 HydrophobicContact CG2-CG 4.23Å; V267-Y299 HydrophobicContact CG2-CD2 4.06Å; V267-Y299 HydrophobicContact CG2-CE2 4.04Å; V267-Y299 HydrophobicContact CG2-CG 4.46Å; V267-V332 HydrophobicContact CG2-CG1 3.92Å; V267-F336 HydrophobicContact CB-CD2 4.17Å; V267-F336 HydrophobicContact CB-CE2 4.15Å; V267-F336 HydrophobicContact CB-CZ 4.44Å; V267-F336 HydrophobicContact CG1-CZ 4.36Å; V267-F336 HydrophobicContact CG2-CB 4.14Å; V267-F336 HydrophobicContact CG2-CD1 4.15Å; V267-F336 HydrophobicContact CG2-CD2 3.96Å; V267-F336 HydrophobicContact CG2-CE1 4.5Å; V267-F336 HydrophobicContact CG2-CE2 4.36Å; V267-F336 HydrophobicContact CG2-CG 3.84Å
268V92.8Very high93.4Very high17 Ų1731.3 Ų31.310%0.10318%0.182CC..EExtended strand (participates in β ladder)trans-125142-179.6-63.40000111.1I270 H275 P277 F296 L708V268-I270 HydrophobicContact CG2-CD1 4.21Å; V268-I270 HydrophobicContact CG2-CG1 4.16Å; V268-H275 HydrophobicContact CG2-CB 4.31Å; V268-H275 WeakPolarHBondContact CG2-O 3.44Å; V268-H275 PolarHBondContact N-O 3.25Å; V268-H275 PolarHBondContact O-N 3.48Å; V268-P277 HydrophobicContact CG1-CG 4.25Å; V268-P277 HydrophobicContact CG2-CG 4.05Å; V268-F296 HydrophobicContact CG2-CD1 4.08Å; V268-F296 HydrophobicContact CG2-CE1 3.83Å; V268-L708 HydrophobicContact CB-CD2 3.95Å; V268-L708 HydrophobicContact CG1-CD1 3.7Å; V268-L708 HydrophobicContact CG1-CD2 3.73Å; V268-L708 HydrophobicContact CG1-CG 4.36Å; V268-L708 HydrophobicContact CG2-CD2 4.25Å
269D92.5Very high93.7Very high62 Ų6227.5 Ų27.533%0.33216%0.164SC..EExtended strand (participates in β ladder)trans-75128.9165.9-177.5-40.5000109.6G272 T713 R716D269-G272 WeakPolarHBondContact OD1-CA 3.43Å; D269-G272 PolarHBondContact OD1-N 3.09Å; D269-T713 HydrophobicContact CB-CG2 3.58Å; D269-T713 WeakPolarHBondContact OD1-CG2 3.46Å; D269-R716 WeakPolarHBondContact O-CD 3.3Å; D269-R716 PolarHBondContact O-NH1 3.34Å
270I90.9Very high93.6Very high8 Ų826.7 Ų26.74%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-129118.6167-59.3178.7000107.4V268 G272 E273 H275 F296 R716V268-I270 HydrophobicContact CG2-CD1 4.21Å; V268-I270 HydrophobicContact CG2-CG1 4.16Å; I270-G272 PolarHBondContact O-N 3.25Å; I270-G272 VanDerWaalsContact O-N 3.14Å; I270-E273 PolarHBondContact N-O 3.14Å; I270-E273 PolarHBondContact O-N 2.53Å; I270-H275 HydrophobicContact CD1-CB 4.07Å; I270-H275 HydrophobicContact CG1-CB 4.39Å; I270-F296 HydrophobicContact CD1-CB 4.13Å; I270-F296 HydrophobicContact CD1-CD1 3.54Å; I270-F296 HydrophobicContact CD1-CD2 3.43Å; I270-F296 VanDerWaalsContact CD1-CD2 3.43Å; I270-F296 HydrophobicContact CD1-CE1 3.71Å; I270-F296 HydrophobicContact CD1-CE2 3.61Å; I270-F296 HydrophobicContact CD1-CG 3.4Å; I270-F296 HydrophobicContact CD1-CZ 3.74Å; I270-R716 HydrophobicContact CB-CB 4.44Å; I270-R716 HydrophobicContact CG1-CB 4.42Å; I270-R716 HydrophobicContact CG2-CB 4.18Å
271A85Confident93.5Very high77 Ų7726.5 Ų26.564%0.63616%0.16SC*.THydrogen-bonded Turntrans53.827.7179.500000115.1
272G86.5Confident93.4Very high60 Ų6026.5 Ų26.562%0.61916%0.16SC*.THydrogen-bonded Turntrans89.14.2-178.500000115.1D269 I270D269-G272 WeakPolarHBondContact OD1-CA 3.43Å; D269-G272 PolarHBondContact OD1-N 3.09Å; I270-G272 PolarHBondContact O-N 3.25Å; I270-G272 VanDerWaalsContact O-N 3.14Å
273E91.1Very high93.2Very high127 Ų12726.6 Ų26.659%0.59316%0.161SC*.EExtended strand (participates in β ladder)trans-114.2134.7176.1-71.1-175175.100111.7I270 H275I270-E273 PolarHBondContact N-O 3.14Å; I270-E273 PolarHBondContact O-N 2.53Å; E273-H275 PolarHBondContact O-ND1 3.03Å; E273-H275 IonicContact OE2-CE1 2.81Å
274E93.3Very high93Very high100 Ų10027.7 Ų27.747%0.46717%0.167SC..EExtended strand (participates in β ladder)trans-66.4131.2174.7-70.6-174.8160.800111.2V267 Y299 F336V267-E274 HydrophobicContact CG1-CB 3.79Å; V267-E274 HydrophobicContact CG1-CG 4.15Å; E274-Y299 HydrophobicContact CB-CD1 4.47Å; E274-Y299 HydrophobicContact CB-CG 4.41Å; E274-Y299 VanDerWaalsContact O-CB 3.23Å; E274-Y299 WeakPolarHBondContact O-CB 3.21Å; E274-Y299 PolarHBondContact O-N 3.16Å; E274-Y299 WeakPolarHBondContact OE2-CD1 3.47Å; E274-F336 WeakPolarHBondContact OE1-CZ 3.3Å
275H94.5Very high92.7Very high19 Ų1936.5 Ų36.59%0.08821%0.208CC..EExtended strand (participates in β ladder)trans-138139.3-176.6-80.681.5000111.9V267 V268 I270 E273 F296 L297V267-H275 CarbonylContact C-O 3.55Å; V267-H275 WeakPolarHBondContact CA-O 3.35Å; V268-H275 HydrophobicContact CG2-CB 4.31Å; V268-H275 WeakPolarHBondContact CG2-O 3.44Å; V268-H275 PolarHBondContact N-O 3.25Å; V268-H275 PolarHBondContact O-N 3.48Å; I270-H275 HydrophobicContact CD1-CB 4.07Å; I270-H275 HydrophobicContact CG1-CB 4.39Å; E273-H275 PolarHBondContact O-ND1 3.03Å; E273-H275 IonicContact OE2-CE1 2.81Å; H275-F296 HydrophobicContact CB-CB 4.12Å; H275-F296 HydrophobicContact CB-CD1 4.34Å; H275-L297 CarbonylContact C-O 3.5Å; H275-L297 WeakPolarHBondContact CA-O 3.48Å
276L94.9Very high92.6Very high0 Ų039.8 Ų39.80%023%0.232CC..EExtended strand (participates in β ladder)trans-89.1123168.5-82.2164.1000110.7V267 F296 L297 Y299 L306 V332 M340V267-L276 HydrophobicContact CG2-CD2 3.83Å; V267-L276 HydrophobicContact CG2-CG 4.23Å; L276-F296 WeakPolarHBondContact O-CA 3.46Å; L276-L297 HydrophobicContact CB-CB 4.38Å; L276-L297 HydrophobicContact CB-CD2 4.31Å; L276-L297 HydrophobicContact CD1-CD2 3.91Å; L276-L297 PolarHBondContact N-O 2.89Å; L276-L297 PolarHBondContact O-N 2.64Å; L276-Y299 HydrophobicContact CD1-CD2 3.64Å; L276-Y299 HydrophobicContact CD1-CE2 3.77Å; L276-Y299 HydrophobicContact CG-CD2 3.73Å; L276-Y299 HydrophobicContact CG-CE2 4.08Å; L276-L306 HydrophobicContact CD1-CD1 4.21Å; L276-V332 HydrophobicContact CD2-CG1 4.45Å; L276-V332 HydrophobicContact CD2-CG2 3.95Å; L276-M340 HydrophobicContact CD1-CE 3.98Å; L276-M340 HydrophobicContact CD1-SD 3.58Å; L276-M340 VanDerWaalsContact CD1-SD 3.58Å; L276-M340 HydrophobicContact CD2-SD 4.36Å
277P96.1Very high92.7Very high1 Ų139.9 Ų39.91%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-70.5128.3166.1-9.324.5000109.9T264 D265 D266 V268 F293 F296 L704T264-P277 VanDerWaalsContact CA-O 3.25Å; T264-P277 WeakPolarHBondContact CA-O 3.29Å; T264-P277 WeakPolarHBondContact CB-O 3.14Å; D265-P277 HydrophobicContact CB-CB 4.5Å; D265-P277 HydrophobicContact CB-CG 4.3Å; D265-P277 PolarHBondContact N-O 3.32Å; D266-P277 WeakPolarHBondContact O-CD 3.38Å; D266-P277 WeakPolarHBondContact O-CG 3.28Å; V268-P277 HydrophobicContact CG1-CG 4.25Å; V268-P277 HydrophobicContact CG2-CG 4.05Å; P277-F293 HydrophobicContact CB-CE2 3.91Å; P277-F296 HydrophobicContact CB-CD1 4.12Å; P277-F296 HydrophobicContact CB-CE1 3.89Å; P277-F296 HydrophobicContact CG-CD1 4.27Å; P277-F296 HydrophobicContact CG-CE1 4Å; P277-L704 HydrophobicContact CB-CD1 4.24Å; P277-L704 HydrophobicContact CB-CD2 3.54Å; P277-L704 HydrophobicContact CG-CD2 4.12Å
278V96.6Very high92.6Very high0 Ų039 Ų390%023%0.225CC..EExtended strand (participates in β ladder)trans-114.7127176.2-166.10000110.8I262 T264 F293 I294 G295 L297 F310 W318I262-V278 HydrophobicContact CG2-CG1 3.84Å; T264-V278 HydrophobicContact CG2-CG2 4.5Å; V278-F293 WeakPolarHBondContact O-CD2 3.37Å; V278-I294 PolarHBondContact O-N 3.3Å; V278-G295 PolarHBondContact N-O 3.29Å; V278-G295 PolarHBondContact O-N 2.94Å; V278-L297 HydrophobicContact CG2-CB 4.18Å; V278-F310 HydrophobicContact CG2-CE2 4.26Å; V278-W318 HydrophobicContact CB-CH2 3.83Å; V278-W318 HydrophobicContact CB-CZ3 3.93Å; V278-W318 HydrophobicContact CG1-CH2 4.34Å; V278-W318 HydrophobicContact CG1-CZ3 3.92Å; V278-W318 HydrophobicContact CG2-CH2 3.99Å; V278-W318 HydrophobicContact CG2-CZ3 4.3Å
279L96.4Very high92.7Very high0 Ų038.7 Ų38.70%022%0.222CC..EExtended strand (participates in β ladder)trans-113.9151174.4-59.690.7000109.5I263 E291 E292 F293 R701 L704I263-L279 PolarHBondContact N-O 2.97Å; I263-L279 WeakPolarHBondContact O-CA 3.47Å; I263-L279 PolarHBondContact O-N 2.92Å; L279-E291 HydrophobicContact CB-CG 4.3Å; L279-E291 HydrophobicContact CD2-CG 4.01Å; L279-E292 CarbonylContact C-O 3.6Å; L279-E292 WeakPolarHBondContact CA-O 3.31Å; L279-E292 WeakPolarHBondContact CB-O 3.14Å; L279-F293 HydrophobicContact CG-CB 4.46Å; L279-F293 HydrophobicContact CG-CD2 4.26Å; L279-R701 HydrophobicContact CD2-CB 3.81Å; L279-R701 HydrophobicContact CD2-CG 4.46Å; L279-L704 HydrophobicContact CD1-CD2 4.27Å
280V96.1Very high92.6Very high2 Ų237.1 Ų37.11%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-122.6137.6173.5173.40000109.5V254 F260 S261 E292 I294 L320V254-V280 HydrophobicContact CG1-CG1 3.85Å; V254-V280 HydrophobicContact CG2-CG1 3.94Å; F260-V280 HydrophobicContact CB-CG1 3.85Å; F260-V280 HydrophobicContact CD2-CG1 3.92Å; F260-V280 HydrophobicContact CG-CG1 4.2Å; S261-V280 WeakPolarHBondContact O-CA 3.49Å; V280-E292 PolarHBondContact N-O 3.48Å; V280-E292 PolarHBondContact O-N 3.36Å; V280-I294 HydrophobicContact CB-CD1 4.33Å; V280-I294 HydrophobicContact CB-CG1 3.83Å; V280-I294 HydrophobicContact CG2-CG1 3.6Å; V280-L320 HydrophobicContact CG2-CD1 4.07Å
281R95.4Very high92.7Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-114125.9-179.3179.1-176.4-76.1-156.7-1.2110.3F260 S261 I263 L289 R290 E291 S360 I686 L687 P688 M690F260-R281 CarbonylContact C-O 3.58Å; F260-R281 VanDerWaalsContact CA-O 3.28Å; F260-R281 WeakPolarHBondContact CA-O 3.31Å; S261-R281 PolarHBondContact N-O 3.21Å; S261-R281 PolarHBondContact O-N 2.89Å; I263-R281 HydrophobicContact CD1-CB 4.02Å; R281-L289 HydrophobicContact CG-CD1 3.63Å; R281-L289 HydrophobicContact CG-CG 4.29Å; R281-R290 VanDerWaalsContact CA-O 3.23Å; R281-R290 WeakPolarHBondContact CA-O 3.37Å; R281-E291 IonicContact CZ-OE2 3.67Å; R281-E291 IonicContact NE-OE2 3.5Å; R281-E291 PolarHBondContact NE-OE2 2.88Å; R281-E291 VanDerWaalsContact NE-OE2 3.12Å; R281-E291 IonicContact NH2-OE2 2.68Å; R281-E291 PolarHBondContact NH2-OE2 3.46Å; R281-S360 PolarHBondContact NH2-OG 3.48Å; R281-I686 VanDerWaalsContact CD-O 3.28Å; R281-I686 WeakPolarHBondContact CD-O 3.48Å; R281-L687 PolarHBondContact NH1-O 3.34Å; R281-P688 PolarHBondContact NH1-O 3.26Å; R281-M690 PolarHBondContact NH1-O 3.24Å
282F95.6Very high93.1Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans-150.2173.1-174.767-80.8000110.9E253 V254 F260 R290 E292E253-F282 HydrophobicContact CB-CE2 3.73Å; E253-F282 HydrophobicContact CB-CZ 3.93Å; V254-F282 HydrophobicContact CG2-CD1 3.61Å; V254-F282 HydrophobicContact CG2-CE1 3.77Å; V254-F282 HydrophobicContact CG2-CG 4.06Å; V254-F282 HydrophobicContact CG2-CZ 4.33Å; F260-F282 HydrophobicContact CB-CB 4.39Å; F282-R290 HydrophobicContact CD1-CB 4.49Å; F282-R290 HydrophobicContact CE1-CB 4.09Å; F282-R290 HydrophobicContact CZ-CB 4.12Å; F282-R290 PolarHBondContact N-O 3.17Å; F282-R290 PolarHBondContact O-N 3.36Å; F282-E292 HydrophobicContact CE1-CB 4.43Å; F282-E292 HydrophobicContact CE1-CG 3.94Å; F282-E292 HydrophobicContact CZ-CG 4.41Å
283V94Very high93.6Very high1 Ų130.4 Ų30.41%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-112.7120.3177.4169.20000110.5S257 N288 L289 C685 I686S257-V283 WeakPolarHBondContact CB-O 3.41Å; S257-V283 PolarHBondContact OG-N 2.95Å; S257-V283 PolarHBondContact OG-O 3.47Å; V283-N288 CarbonylContact C-O 3.55Å; V283-N288 VanDerWaalsContact CA-O 3.28Å; V283-N288 WeakPolarHBondContact CA-O 3.33Å; V283-L289 HydrophobicContact CG2-CD1 4.06Å; V283-C685 HydrophobicContact CG2-CB 4.09Å; V283-I686 HydrophobicContact CG2-CG2 3.79Å
284D91.4Very high93.8Very high24 Ų2424.3 Ų24.313%0.12812%0.123CC..  trans-71173.5-176.772.219.7000113.9S286 H287 N288D284-S286 PolarHBondContact O-N 3.18Å; D284-S286 VanDerWaalsContact OD1-CA 3.22Å; D284-S286 WeakPolarHBondContact OD1-CA 3.39Å; D284-S286 WeakPolarHBondContact OD1-CB 3.27Å; D284-S286 PolarHBondContact OD1-N 3.28Å; D284-H287 PolarHBondContact O-N 3.33Å; D284-H287 PolarHBondContact OD1-N 3.41Å; D284-N288 PolarHBondContact N-O 3.48Å; D284-N288 PolarHBondContact OD1-N 3.3Å; D284-N288 PolarHBondContact OD1-ND2 3.05Å; D284-N288 WeakPolarHBondContact OD2-CB 3.45Å; D284-N288 PolarHBondContact OD2-ND2 3.11Å; D284-N288 VanDerWaalsContact OD2-ND2 3.09Å
285E89.6Confident93.9Very high185 Ų18519.6 Ų19.686%0.86410%0.1SC*.THydrogen-bonded Turntrans-56.8-28.8176.7-63-168.4133.800112.9H287E285-H287 VanDerWaalsContact C-N 3.26Å; E285-H287 PolarHBondContact O-N 2.85Å; E285-H287 PolarHBondContact O-ND1 3.21Å
286S90.3Very high93.9Very high79 Ų7919.1 Ų19.155%0.55210%0.098SC*.THydrogen-bonded Turntrans-89.815.4177.7-63.20000112.9D284 N288 H667D284-S286 PolarHBondContact O-N 3.18Å; D284-S286 VanDerWaalsContact OD1-CA 3.22Å; D284-S286 WeakPolarHBondContact OD1-CA 3.39Å; D284-S286 WeakPolarHBondContact OD1-CB 3.27Å; D284-S286 PolarHBondContact OD1-N 3.28Å; S286-N288 VanDerWaalsContact C-N 3.27Å; S286-N288 VanDerWaalsContact CB-ND2 3.33Å; S286-N288 WeakPolarHBondContact CB-ND2 3.46Å; S286-N288 PolarHBondContact O-N 3.18Å; S286-N288 PolarHBondContact O-ND2 3.14Å; S286-H667 PolarHBondContact O-NE2 2.85Å
287H90.8Very high93.9Very high49 Ų4919.2 Ų19.223%0.22710%0.099CC..SBendtrans64.720.1175.9-50.6-20.4000115.3D284 E285 L666 Y678D284-H287 PolarHBondContact O-N 3.33Å; D284-H287 PolarHBondContact OD1-N 3.41Å; E285-H287 VanDerWaalsContact C-N 3.26Å; E285-H287 PolarHBondContact O-N 2.85Å; E285-H287 PolarHBondContact O-ND1 3.21Å; H287-L666 HydrophobicContact CB-CB 4.21Å; H287-L666 PolarHBondContact CD2-O 2.67Å; H287-L666 VanDerWaalsContact CD2-O 3.28Å; H287-Y678 AromaticContact CE1-CE2 3.99Å; H287-Y678 PolarHBondContact CE1-OH 3.13Å; H287-Y678 VanDerWaalsContact CE1-OH 3.24Å
288N91.6Very high93.8Very high8 Ų821.6 Ų21.64%0.04311%0.114CC..  trans-87.2136.7174.1-50.1-81.9000111.1V283 D284 S286 R290 Y697V283-N288 CarbonylContact C-O 3.55Å; V283-N288 VanDerWaalsContact CA-O 3.28Å; V283-N288 WeakPolarHBondContact CA-O 3.33Å; D284-N288 PolarHBondContact N-O 3.48Å; D284-N288 PolarHBondContact OD1-N 3.3Å; D284-N288 PolarHBondContact OD1-ND2 3.05Å; D284-N288 WeakPolarHBondContact OD2-CB 3.45Å; D284-N288 PolarHBondContact OD2-ND2 3.11Å; D284-N288 VanDerWaalsContact OD2-ND2 3.09Å; S286-N288 VanDerWaalsContact C-N 3.27Å; S286-N288 VanDerWaalsContact CB-ND2 3.33Å; S286-N288 WeakPolarHBondContact CB-ND2 3.46Å; S286-N288 PolarHBondContact O-N 3.18Å; S286-N288 PolarHBondContact O-ND2 3.14Å; N288-R290 PolarHBondContact O-N 2.56Å; N288-Y697 HydrophobicContact CB-CD1 4.47Å; N288-Y697 HydrophobicContact CB-CD2 3.78Å; N288-Y697 HydrophobicContact CB-CE1 4.24Å; N288-Y697 HydrophobicContact CB-CE2 3.53Å; N288-Y697 HydrophobicContact CB-CG 4.27Å; N288-Y697 VanDerWaalsContact CG-CE2 3.4Å; N288-Y697 VanDerWaalsContact CG-CZ 3.45Å; N288-Y697 PolarHBondContact ND2-OH 3.16Å; N288-Y697 WeakPolarHBondContact OD1-CE2 3.28Å; N288-Y697 PolarHBondContact OD1-OH 2.91Å
289L93Very high93.5Very high10 Ų1022.5 Ų22.55%0.05212%0.118CC..EExtended strand (participates in β ladder)trans-74117.8167.4-176.264000109.6R281 V283 C685 I686 V692 Y697R281-L289 HydrophobicContact CG-CD1 3.63Å; R281-L289 HydrophobicContact CG-CG 4.29Å; V283-L289 HydrophobicContact CG2-CD1 4.06Å; L289-C685 WeakPolarHBondContact CD1-O 3.46Å; L289-C685 VanDerWaalsContact CD2-O 3.31Å; L289-C685 WeakPolarHBondContact CD2-O 3.21Å; L289-I686 HydrophobicContact CD1-CG2 4.1Å; L289-V692 HydrophobicContact CD2-CG2 3.99Å; L289-V692 HydrophobicContact CG-CG2 4.26Å; L289-Y697 WeakPolarHBondContact O-CB 3.15Å
290R91.9Very high93.3Very high29 Ų2924.7 Ų24.711%0.10913%0.128CC..EExtended strand (participates in β ladder)trans-110.2145.7176.4-65.8-179.266.1-178-3111.3E253 R281 F282 N288 E292 Y697E253-R290 IonicContact OE1-CZ 3.16Å; E253-R290 IonicContact OE1-NH1 2.76Å; E253-R290 PolarHBondContact OE1-NH1 2.94Å; E253-R290 IonicContact OE1-NH2 2.62Å; E253-R290 IonicContact OE2-CZ 2.74Å; E253-R290 IonicContact OE2-NH1 2.74Å; E253-R290 PolarHBondContact OE2-NH1 3.43Å; R281-R290 VanDerWaalsContact CA-O 3.23Å; R281-R290 WeakPolarHBondContact CA-O 3.37Å; F282-R290 HydrophobicContact CD1-CB 4.49Å; F282-R290 HydrophobicContact CE1-CB 4.09Å; F282-R290 HydrophobicContact CZ-CB 4.12Å; F282-R290 PolarHBondContact N-O 3.17Å; F282-R290 PolarHBondContact O-N 3.36Å; N288-R290 PolarHBondContact O-N 2.56Å; R290-E292 HydrophobicContact CB-CG 4.31Å; R290-E292 IonicContact CZ-OE1 2.86Å; R290-E292 IonicContact NE-OE1 2.75Å; R290-E292 PolarHBondContact NE-OE1 2.96Å; R290-E292 IonicContact NH2-OE1 3.2Å; R290-E292 PolarHBondContact NH2-OE1 3.38Å; R290-Y697 HydrophobicContact CG-CD1 3.93Å; R290-Y697 HydrophobicContact CG-CG 4.27Å
291E93.5Very high93Very high0 Ų028.6 Ų28.60%016%0.161CC..EExtended strand (participates in β ladder)trans-127.7102.8170-178.6173127.600109.7I263 L279 R281 Y697 G700 R701I263-E291 HydrophobicContact CD1-CG 4.46Å; I263-E291 VanDerWaalsContact CD1-OE2 3.27Å; I263-E291 WeakPolarHBondContact CD1-OE2 3.31Å; L279-E291 HydrophobicContact CB-CG 4.3Å; L279-E291 HydrophobicContact CD2-CG 4.01Å; R281-E291 IonicContact CZ-OE2 3.67Å; R281-E291 IonicContact NE-OE2 3.5Å; R281-E291 PolarHBondContact NE-OE2 2.88Å; R281-E291 VanDerWaalsContact NE-OE2 3.12Å; R281-E291 IonicContact NH2-OE2 2.68Å; R281-E291 PolarHBondContact NH2-OE2 3.46Å; E291-Y697 PolarHBondContact N-O 3.24Å; E291-G700 PolarHBondContact O-N 2.86Å; E291-R701 IonicContact OE1-CZ 2.64Å; E291-R701 IonicContact OE1-NE 2.82Å; E291-R701 PolarHBondContact OE1-NE 3.37Å; E291-R701 IonicContact OE1-NH2 3.8Å; E291-R701 PolarHBondContact OE1-NH2 2.88Å
292E93.3Very high92.9Very high4 Ų432.3 Ų32.32%0.01918%0.18CC..EExtended strand (participates in β ladder)trans-115.5150.4-171.3-57-60.6177.200112.2T250 L279 V280 F282 R290T250-E292 HydrophobicContact CG2-CB 3.84Å; T250-E292 HydrophobicContact CG2-CG 4.27Å; L279-E292 CarbonylContact C-O 3.6Å; L279-E292 WeakPolarHBondContact CA-O 3.31Å; L279-E292 WeakPolarHBondContact CB-O 3.14Å; V280-E292 PolarHBondContact N-O 3.48Å; V280-E292 PolarHBondContact O-N 3.36Å; F282-E292 HydrophobicContact CE1-CB 4.43Å; F282-E292 HydrophobicContact CE1-CG 3.94Å; F282-E292 HydrophobicContact CZ-CG 4.41Å; R290-E292 HydrophobicContact CB-CG 4.31Å; R290-E292 IonicContact CZ-OE1 2.86Å; R290-E292 IonicContact NE-OE1 2.75Å; R290-E292 PolarHBondContact NE-OE1 2.96Å; R290-E292 IonicContact NH2-OE1 3.2Å; R290-E292 PolarHBondContact NH2-OE1 3.38Å
293F95.6Very high92.8Very high0 Ų033.2 Ų33.20%019%0.188CC..EExtended strand (participates in β ladder)trans-89.4120.7-178.9175.6-109.6000111.1P277 V278 L279 G295 F296 L704 L722 I725 N726P277-F293 HydrophobicContact CB-CE2 3.91Å; V278-F293 WeakPolarHBondContact O-CD2 3.37Å; L279-F293 HydrophobicContact CG-CB 4.46Å; L279-F293 HydrophobicContact CG-CD2 4.26Å; F293-G295 WeakPolarHBondContact CE2-O 3.39Å; F293-G295 WeakPolarHBondContact CZ-O 3.13Å; F293-F296 HydrophobicContact CE1-CD2 4.38Å; F293-F296 AromaticContact CE1-CE2 3.84Å; F293-F296 HydrophobicContact CE1-CE2 3.84Å; F293-F296 HydrophobicContact CE1-CZ 4.06Å; F293-F296 HydrophobicContact CE2-CD1 4.36Å; F293-F296 HydrophobicContact CE2-CE1 4.07Å; F293-F296 HydrophobicContact CE2-CE2 4.49Å; F293-F296 HydrophobicContact CE2-CZ 4.15Å; F293-F296 HydrophobicContact CZ-CD1 4Å; F293-F296 AromaticContact CZ-CD2 3.72Å; F293-F296 HydrophobicContact CZ-CD2 3.72Å; F293-F296 AromaticContact CZ-CE1 3.71Å; F293-F296 HydrophobicContact CZ-CE1 3.71Å; F293-F296 AromaticContact CZ-CE2 3.39Å; F293-F296 HydrophobicContact CZ-CE2 3.39Å; F293-F296 HydrophobicContact CZ-CG 4.01Å; F293-F296 AromaticContact CZ-CZ 3.39Å; F293-F296 HydrophobicContact CZ-CZ 3.39Å; F293-L704 HydrophobicContact CD2-CD2 4.4Å; F293-L704 HydrophobicContact CE2-CD1 4.37Å; F293-L722 HydrophobicContact CD1-CD1 3.76Å; F293-L722 HydrophobicContact CE1-CD1 3.71Å; F293-I725 HydrophobicContact CB-CG2 3.57Å; F293-I725 HydrophobicContact CD1-CB 3.96Å; F293-I725 HydrophobicContact CD1-CD1 3.62Å; F293-I725 HydrophobicContact CD1-CG1 4.4Å; F293-I725 HydrophobicContact CD1-CG2 3.7Å; F293-I725 HydrophobicContact CE1-CD1 3.65Å; F293-I725 HydrophobicContact CG-CD1 4.27Å; F293-I725 HydrophobicContact CG-CG2 3.9Å; F293-I725 HydrophobicContact CZ-CD1 4.33Å; F293-N726 PolarHBondContact O-ND2 3.48Å
294I95.7Very high92.9Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-95.2-33.6-176-57.4-54.1000111.6R247 T250 L251 V278 V280 W318 L722R247-I294 HydrophobicContact CG-CG2 4.02Å; R247-I294 PolarHBondContact NE-O 2.93Å; R247-I294 PolarHBondContact NH2-O 3.23Å; T250-I294 HydrophobicContact CG2-CD1 3.62Å; L251-I294 HydrophobicContact CD2-CD1 4.32Å; L251-I294 HydrophobicContact CD2-CG2 3.97Å; V278-I294 PolarHBondContact O-N 3.3Å; V280-I294 HydrophobicContact CB-CD1 4.33Å; V280-I294 HydrophobicContact CB-CG1 3.83Å; V280-I294 HydrophobicContact CG2-CG1 3.6Å; I294-W318 HydrophobicContact CB-CE3 4.44Å; I294-W318 HydrophobicContact CB-CH2 4.47Å; I294-W318 HydrophobicContact CB-CZ3 4.29Å; I294-W318 HydrophobicContact CG2-CD2 3.58Å; I294-W318 HydrophobicContact CG2-CE3 3.59Å; I294-W318 HydrophobicContact CG2-CG 4.15Å; I294-W318 HydrophobicContact CG2-CH2 4.11Å; I294-W318 HydrophobicContact CG2-CZ2 4.07Å; I294-W318 HydrophobicContact CG2-CZ3 3.86Å; I294-L722 VanDerWaalsContact O-CD1 3.3Å; I294-L722 WeakPolarHBondContact O-CD1 3.37Å
295G95.6Very high93.1Very high0 Ų039.9 Ų39.90%022%0.22CC..EExtended strand (participates in β ladder)trans158-173.4177.100000113.9V278 F293V278-G295 PolarHBondContact N-O 3.29Å; V278-G295 PolarHBondContact O-N 2.94Å; F293-G295 WeakPolarHBondContact CE2-O 3.39Å; F293-G295 WeakPolarHBondContact CZ-O 3.13Å
296F95.3Very high93.4Very high10 Ų1031 Ų314%0.04418%0.179CC..EExtended strand (participates in β ladder)trans-101.3140.4176-60.3-76.4000111.3V268 I270 H275 L276 P277 F293 L704 A721V268-F296 HydrophobicContact CG2-CD1 4.08Å; V268-F296 HydrophobicContact CG2-CE1 3.83Å; I270-F296 HydrophobicContact CD1-CB 4.13Å; I270-F296 HydrophobicContact CD1-CD1 3.54Å; I270-F296 HydrophobicContact CD1-CD2 3.43Å; I270-F296 VanDerWaalsContact CD1-CD2 3.43Å; I270-F296 HydrophobicContact CD1-CE1 3.71Å; I270-F296 HydrophobicContact CD1-CE2 3.61Å; I270-F296 HydrophobicContact CD1-CG 3.4Å; I270-F296 HydrophobicContact CD1-CZ 3.74Å; H275-F296 HydrophobicContact CB-CB 4.12Å; H275-F296 HydrophobicContact CB-CD1 4.34Å; L276-F296 WeakPolarHBondContact O-CA 3.46Å; P277-F296 HydrophobicContact CB-CD1 4.12Å; P277-F296 HydrophobicContact CB-CE1 3.89Å; P277-F296 HydrophobicContact CG-CD1 4.27Å; P277-F296 HydrophobicContact CG-CE1 4Å; F293-F296 HydrophobicContact CE1-CD2 4.38Å; F293-F296 AromaticContact CE1-CE2 3.84Å; F293-F296 HydrophobicContact CE1-CE2 3.84Å; F293-F296 HydrophobicContact CE1-CZ 4.06Å; F293-F296 HydrophobicContact CE2-CD1 4.36Å; F293-F296 HydrophobicContact CE2-CE1 4.07Å; F293-F296 HydrophobicContact CE2-CE2 4.49Å; F293-F296 HydrophobicContact CE2-CZ 4.15Å; F293-F296 HydrophobicContact CZ-CD1 4Å; F293-F296 AromaticContact CZ-CD2 3.72Å; F293-F296 HydrophobicContact CZ-CD2 3.72Å; F293-F296 AromaticContact CZ-CE1 3.71Å; F293-F296 HydrophobicContact CZ-CE1 3.71Å; F293-F296 AromaticContact CZ-CE2 3.39Å; F293-F296 HydrophobicContact CZ-CE2 3.39Å; F293-F296 HydrophobicContact CZ-CG 4.01Å; F293-F296 AromaticContact CZ-CZ 3.39Å; F293-F296 HydrophobicContact CZ-CZ 3.39Å; F296-L704 HydrophobicContact CE1-CD1 3.99Å; F296-L704 HydrophobicContact CZ-CD1 3.89Å; F296-A721 HydrophobicContact CE2-CB 3.6Å; F296-A721 HydrophobicContact CZ-CB 4.15Å
297L94.6Very high93.7Very high2 Ų227.6 Ų27.61%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-105.3123.1168.9173.9136.5000108.7H275 L276 V278 Y299 L306 F310 M313H275-L297 CarbonylContact C-O 3.5Å; H275-L297 WeakPolarHBondContact CA-O 3.48Å; L276-L297 HydrophobicContact CB-CB 4.38Å; L276-L297 HydrophobicContact CB-CD2 4.31Å; L276-L297 HydrophobicContact CD1-CD2 3.91Å; L276-L297 PolarHBondContact N-O 2.89Å; L276-L297 PolarHBondContact O-N 2.64Å; V278-L297 HydrophobicContact CG2-CB 4.18Å; L297-Y299 PolarHBondContact O-N 2.98Å; L297-L306 HydrophobicContact CD2-CD1 3.68Å; L297-F310 VanDerWaalsContact CD1-CA 3.49Å; L297-F310 HydrophobicContact CD1-CB 4.06Å; L297-F310 HydrophobicContact CD1-CD2 3.89Å; L297-F310 HydrophobicContact CD1-CG 4.26Å; L297-F310 HydrophobicContact CD2-CD2 4.36Å; L297-M313 HydrophobicContact CB-CE 4.09Å; L297-M313 HydrophobicContact CB-SD 3.75Å; L297-M313 HydrophobicContact CD1-CB 4.01Å; L297-M313 HydrophobicContact CD1-CE 3.99Å; L297-M313 HydrophobicContact CD1-CG 4.49Å; L297-M313 HydrophobicContact CD1-SD 3.87Å; L297-M313 HydrophobicContact CG-CE 3.99Å; L297-M313 HydrophobicContact CG-SD 4.11Å
298P93.1Very high94Very high51 Ų5129.8 Ų29.833%0.33117%0.172SC..EExtended strand (participates in β ladder)trans-56.8130.7172.6-23.533.2000110.4
299Y91Very high94.3Very high19 Ų1933.8 Ų33.88%0.07519%0.189CC..  trans-75.5160.9-176.5-161.4-110.2000112V267 E274 L276 L297 L306 F336 K339 M340V267-Y299 HydrophobicContact CG2-CD2 4.06Å; V267-Y299 HydrophobicContact CG2-CE2 4.04Å; V267-Y299 HydrophobicContact CG2-CG 4.46Å; E274-Y299 HydrophobicContact CB-CD1 4.47Å; E274-Y299 HydrophobicContact CB-CG 4.41Å; E274-Y299 VanDerWaalsContact O-CB 3.23Å; E274-Y299 WeakPolarHBondContact O-CB 3.21Å; E274-Y299 PolarHBondContact O-N 3.16Å; E274-Y299 WeakPolarHBondContact OE2-CD1 3.47Å; L276-Y299 HydrophobicContact CD1-CD2 3.64Å; L276-Y299 HydrophobicContact CD1-CE2 3.77Å; L276-Y299 HydrophobicContact CG-CD2 3.73Å; L276-Y299 HydrophobicContact CG-CE2 4.08Å; L297-Y299 PolarHBondContact O-N 2.98Å; Y299-L306 HydrophobicContact CD2-CD1 4.06Å; Y299-L306 HydrophobicContact CD2-CD2 4.17Å; Y299-L306 HydrophobicContact CE2-CD1 4.21Å; Y299-L306 HydrophobicContact CE2-CD2 3.48Å; Y299-L306 VanDerWaalsContact CE2-CD2 3.48Å; Y299-F336 HydrophobicContact CD1-CD1 4.18Å; Y299-F336 HydrophobicContact CD1-CE1 4.13Å; Y299-F336 AromaticContact CE1-CD1 3.36Å; Y299-F336 HydrophobicContact CE1-CD1 3.36Å; Y299-F336 AromaticContact CE1-CE1 3.7Å; Y299-F336 HydrophobicContact CE1-CE1 3.7Å; Y299-F336 HydrophobicContact CE1-CG 4.46Å; Y299-F336 HydrophobicContact CE2-CD1 4.5Å; Y299-F336 AromaticContact CZ-CD1 3.55Å; Y299-F336 WeakPolarHBondContact OH-CA 3.37Å; Y299-F336 WeakPolarHBondContact OH-CD1 3.47Å; Y299-K339 HydrophobicContact CE1-CD 4.09Å; Y299-K339 WeakPolarHBondContact OH-CB 3.48Å; Y299-K339 WeakPolarHBondContact OH-CD 3.43Å; Y299-M340 HydrophobicContact CE2-SD 4.41Å
300E92.4Very high94.5Very high46 Ų4633.4 Ų33.422%0.21519%0.186CC..  trans-131.7144.5-177.7-83.8-63.4171.300113.8D302 I305 L306 K309 K339E300-D302 VanDerWaalsContact C-N 3.32Å; E300-I305 HydrophobicContact CG-CG2 4.06Å; E300-L306 HydrophobicContact CB-CB 3.91Å; E300-L306 HydrophobicContact CB-CD1 4.13Å; E300-K309 HydrophobicContact CG-CD 3.9Å; E300-K309 WeakPolarHBondContact OE1-CE 3.31Å; E300-K309 IonicContact OE1-NZ 3.55Å; E300-K309 PolarHBondContact OE1-NZ 3.35Å; E300-K339 PolarHBondContact O-NZ 2.95Å
301A88.5Confident94.7Very high84 Ų8433.2 Ų33.269%0.69419%0.187SC*.SBendtrans-69.2-34.7179.300000111.5K339A301-K339 VanDerWaalsContact C-NZ 3.35Å; A301-K339 WeakPolarHBondContact O-CE 3.34Å; A301-K339 PolarHBondContact O-NZ 3.44Å
302D93.8Very high94.9Very high78 Ų7835.6 Ų35.642%0.41720%0.201SC..SBendtrans-99.4135.4178.1-176.2-75.3000111.5E300 E304 I305 L306E300-D302 VanDerWaalsContact C-N 3.32Å; D302-E304 WeakPolarHBondContact OD1-CA 3.42Å; D302-E304 WeakPolarHBondContact OD1-CB 3.23Å; D302-E304 PolarHBondContact OD1-N 3.42Å; D302-I305 HydrophobicContact CB-CB 4.11Å; D302-I305 HydrophobicContact CB-CD1 3.91Å; D302-I305 HydrophobicContact CB-CG1 3.94Å; D302-I305 PolarHBondContact OD1-N 3.43Å; D302-L306 VanDerWaalsContact O-CB 3.3Å; D302-L306 WeakPolarHBondContact O-CB 3.47Å; D302-L306 PolarHBondContact O-N 3.17Å
303A93.8Very high95.1Very high19 Ų1936.5 Ų36.516%0.15721%0.206CC..Hα-helixtrans-77.4-25.9-173.600000114.1A307 K339 V342A303-A307 WeakPolarHBondContact O-CB 3.17Å; A303-A307 PolarHBondContact O-N 2.64Å; A303-K339 HydrophobicContact CB-CB 4.04Å; A303-K339 HydrophobicContact CB-CG 4.13Å; A303-V342 HydrophobicContact CB-CB 3.91Å; A303-V342 HydrophobicContact CB-CG1 4.13Å; A303-V342 HydrophobicContact CB-CG2 3.97Å
304E95.5Very high95.1Very high80 Ų8036.7 Ų36.737%0.37421%0.207SC..Hα-helixtrans-79.3-41.4176.3-60.2-74.8-166.400109.9D302 L306 A307 V308 R346D302-E304 WeakPolarHBondContact OD1-CA 3.42Å; D302-E304 WeakPolarHBondContact OD1-CB 3.23Å; D302-E304 PolarHBondContact OD1-N 3.42Å; E304-L306 VanDerWaalsContact C-N 3.29Å; E304-L306 PolarHBondContact O-N 2.99Å; E304-A307 PolarHBondContact O-N 3.15Å; E304-V308 WeakPolarHBondContact O-CG2 3.17Å; E304-V308 PolarHBondContact O-N 3.4Å; E304-R346 IonicContact OE1-CZ 2.65Å; E304-R346 IonicContact OE1-NE 3.57Å; E304-R346 PolarHBondContact OE1-NE 3.22Å; E304-R346 IonicContact OE1-NH2 3.77Å; E304-R346 PolarHBondContact OE1-NH2 2.67Å; E304-R346 IonicContact OE2-CZ 2.78Å; E304-R346 IonicContact OE2-NE 3.5Å; E304-R346 PolarHBondContact OE2-NE 3.31Å; E304-R346 IonicContact OE2-NH2 3.95Å; E304-R346 PolarHBondContact OE2-NH2 2.85Å
305I96.5Very high95.2Very high84 Ų8438.3 Ų38.343%0.43122%0.217SC..Hα-helixtrans-61.5-41.2171.4-57.8-178.6000110.1E300 D302 V308 K309E300-I305 HydrophobicContact CG-CG2 4.06Å; D302-I305 HydrophobicContact CB-CB 4.11Å; D302-I305 HydrophobicContact CB-CD1 3.91Å; D302-I305 HydrophobicContact CB-CG1 3.94Å; D302-I305 PolarHBondContact OD1-N 3.43Å; I305-V308 PolarHBondContact O-N 2.79Å; I305-K309 PolarHBondContact O-N 2.93Å
306L96.1Very high95.2Very high0 Ų045 Ų450%025%0.248CC..Hα-helixtrans-58.4-47173-17560.1000111.7L276 L297 Y299 E300 D302 E304 V308 K309 F310 K339 M340 V343L276-L306 HydrophobicContact CD1-CD1 4.21Å; L297-L306 HydrophobicContact CD2-CD1 3.68Å; Y299-L306 HydrophobicContact CD2-CD1 4.06Å; Y299-L306 HydrophobicContact CD2-CD2 4.17Å; Y299-L306 HydrophobicContact CE2-CD1 4.21Å; Y299-L306 HydrophobicContact CE2-CD2 3.48Å; Y299-L306 VanDerWaalsContact CE2-CD2 3.48Å; E300-L306 HydrophobicContact CB-CB 3.91Å; E300-L306 HydrophobicContact CB-CD1 4.13Å; D302-L306 VanDerWaalsContact O-CB 3.3Å; D302-L306 WeakPolarHBondContact O-CB 3.47Å; D302-L306 PolarHBondContact O-N 3.17Å; E304-L306 VanDerWaalsContact C-N 3.29Å; E304-L306 PolarHBondContact O-N 2.99Å; L306-V308 PolarHBondContact O-N 3.43Å; L306-K309 PolarHBondContact O-N 3.24Å; L306-F310 VanDerWaalsContact O-CB 3.24Å; L306-F310 WeakPolarHBondContact O-CB 3.34Å; L306-F310 PolarHBondContact O-N 3.3Å; L306-K339 HydrophobicContact CD2-CB 4.4Å; L306-M340 HydrophobicContact CD2-SD 3.76Å; L306-V343 HydrophobicContact CB-CG2 4.37Å; L306-V343 HydrophobicContact CD2-CG2 3.96Å; L306-V343 HydrophobicContact CG-CG2 3.88Å
307A96.9Very high95.1Very high6 Ų651.1 Ų51.15%0.0528%0.275CS..Hα-helixtrans-61.9-41.2179.100000112.6A303 E304 F310 H311 V343 R346A303-A307 WeakPolarHBondContact O-CB 3.17Å; A303-A307 PolarHBondContact O-N 2.64Å; E304-A307 PolarHBondContact O-N 3.15Å; A307-F310 PolarHBondContact O-N 3.49Å; A307-H311 PolarHBondContact O-N 2.95Å; A307-V343 HydrophobicContact CB-CB 4.44Å; A307-V343 HydrophobicContact CB-CG2 4.12Å; A307-R346 HydrophobicContact CB-CB 3.97Å; A307-R346 HydrophobicContact CB-CG 3.95Å
308V97.3Very high95.2Very high96 Ų9651.3 Ų51.358%0.58228%0.275SS*.Hα-helixtrans-64.8-49.6174.8173.70000111E304 I305 L306 F310 H311 T312E304-V308 WeakPolarHBondContact O-CG2 3.17Å; E304-V308 PolarHBondContact O-N 3.4Å; I305-V308 PolarHBondContact O-N 2.79Å; L306-V308 PolarHBondContact O-N 3.43Å; V308-F310 VanDerWaalsContact C-N 3.29Å; V308-F310 PolarHBondContact O-N 3.19Å; V308-H311 PolarHBondContact O-N 3.04Å; V308-T312 WeakPolarHBondContact O-CB 3.24Å; V308-T312 PolarHBondContact O-N 3.37Å
309K96.8Very high95.3Very high92 Ų9250.9 Ų50.940%0.428%0.281SS..Hα-helixtrans-61.4-36.4177.6-75.2-166.5179.4-176.40112.5E300 I305 L306 M313E300-K309 HydrophobicContact CG-CD 3.9Å; E300-K309 WeakPolarHBondContact OE1-CE 3.31Å; E300-K309 IonicContact OE1-NZ 3.55Å; E300-K309 PolarHBondContact OE1-NZ 3.35Å; I305-K309 PolarHBondContact O-N 2.93Å; L306-K309 PolarHBondContact O-N 3.24Å; K309-M313 VanDerWaalsContact O-CB 3.24Å; K309-M313 WeakPolarHBondContact O-CB 3.48Å; K309-M313 PolarHBondContact O-N 3.13Å
310F97Very high95.6Very high1 Ų150.1 Ų50.10%0.00428%0.278CS..Hα-helixtrans-65.6-44.3176-162.8-82.4000111.7I262 T264 V278 L297 L306 A307 V308 I314 Y330 M340 V343 L347I262-F310 HydrophobicContact CG2-CE1 4.02Å; I262-F310 HydrophobicContact CG2-CZ 3.74Å; T264-F310 HydrophobicContact CG2-CE2 3.91Å; T264-F310 HydrophobicContact CG2-CZ 4.14Å; V278-F310 HydrophobicContact CG2-CE2 4.26Å; L297-F310 VanDerWaalsContact CD1-CA 3.49Å; L297-F310 HydrophobicContact CD1-CB 4.06Å; L297-F310 HydrophobicContact CD1-CD2 3.89Å; L297-F310 HydrophobicContact CD1-CG 4.26Å; L297-F310 HydrophobicContact CD2-CD2 4.36Å; L306-F310 VanDerWaalsContact O-CB 3.24Å; L306-F310 WeakPolarHBondContact O-CB 3.34Å; L306-F310 PolarHBondContact O-N 3.3Å; A307-F310 PolarHBondContact O-N 3.49Å; V308-F310 VanDerWaalsContact C-N 3.29Å; V308-F310 PolarHBondContact O-N 3.19Å; F310-I314 HydrophobicContact CD1-CD1 3.75Å; F310-I314 HydrophobicContact CE1-CD1 3.35Å; F310-I314 HydrophobicContact CZ-CD1 3.94Å; F310-I314 WeakPolarHBondContact O-CG1 3.48Å; F310-I314 PolarHBondContact O-N 3.5Å; F310-Y330 HydrophobicContact CE1-CE1 4.31Å; F310-Y330 HydrophobicContact CE2-CE1 4.19Å; F310-Y330 AromaticContact CZ-CE1 3.74Å; F310-Y330 HydrophobicContact CZ-CE1 3.74Å; F310-M340 HydrophobicContact CD2-CE 4.46Å; F310-M340 HydrophobicContact CE2-CE 4.24Å; F310-V343 HydrophobicContact CB-CG1 4.12Å; F310-V343 HydrophobicContact CD1-CG1 4.02Å; F310-V343 HydrophobicContact CD2-CG1 4.44Å; F310-V343 HydrophobicContact CG-CG1 3.95Å; F310-L347 HydrophobicContact CD1-CD1 3.85Å; F310-L347 HydrophobicContact CE1-CD1 3.88Å
311H97.5Very high95.8Very high25 Ų2551.1 Ų51.112%0.11629%0.285CS..Hα-helixtrans-64.2-50.9175.5-176.6-96.1000112.6A307 V308 M313 I314 T315 L347 K350 Y351A307-H311 PolarHBondContact O-N 2.95Å; V308-H311 PolarHBondContact O-N 3.04Å; H311-M313 PolarHBondContact O-N 3.18Å; H311-I314 PolarHBondContact O-N 3.12Å; H311-T315 PolarHBondContact CE1-OG1 3.12Å; H311-T315 VanDerWaalsContact NE2-CG2 3.35Å; H311-T315 WeakPolarHBondContact NE2-CG2 3.1Å; H311-T315 PolarHBondContact O-N 3Å; H311-T315 PolarHBondContact O-OG1 3.15Å; H311-L347 HydrophobicContact CB-CD2 4.2Å; H311-K350 PolarHBondContact CE1-NZ 3.31Å; H311-K350 PolarHBondContact ND1-NZ 2.93Å; H311-K350 VanDerWaalsContact ND1-NZ 3.1Å; H311-K350 PolarHBondContact NE2-NZ 2.89Å; H311-Y351 AromaticContact CD2-CE2 3.65Å; H311-Y351 AromaticContact NE2-CE2 3.5Å; H311-Y351 AromaticContact NE2-CZ 3.62Å; H311-Y351 PolarHBondContact NE2-OH 2.79Å
312T97.4Very high96.2Very high51 Ų5147.2 Ų47.231%0.31325%0.252SS..Hα-helixtrans-63.1-38.9179.2-790000112.3V308 I314 E316 K317V308-T312 WeakPolarHBondContact O-CB 3.24Å; V308-T312 PolarHBondContact O-N 3.37Å; T312-I314 PolarHBondContact O-N 3.36Å; T312-E316 WeakPolarHBondContact CB-OE1 3.44Å; T312-E316 HydrophobicContact CG2-CB 4.35Å; T312-E316 HydrophobicContact CG2-CG 4.41Å; T312-E316 WeakPolarHBondContact CG2-OE1 3.48Å; T312-E316 WeakPolarHBondContact O-CA 3.41Å; T312-E316 VanDerWaalsContact O-CB 3.3Å; T312-E316 WeakPolarHBondContact O-CB 3.23Å; T312-E316 PolarHBondContact O-N 2.89Å; T312-E316 PolarHBondContact OG1-OE1 2.72Å; T312-K317 PolarHBondContact O-N 3.12Å
313M96.5Very high96.3Very high23 Ų2348.7 Ų48.711%0.11326%0.256CS..Iπ-helixtrans-62.5-43.7177.2-176166.3-59.500111.9L297 K309 H311 K317 W318L297-M313 HydrophobicContact CB-CE 4.09Å; L297-M313 HydrophobicContact CB-SD 3.75Å; L297-M313 HydrophobicContact CD1-CB 4.01Å; L297-M313 HydrophobicContact CD1-CE 3.99Å; L297-M313 HydrophobicContact CD1-CG 4.49Å; L297-M313 HydrophobicContact CD1-SD 3.87Å; L297-M313 HydrophobicContact CG-CE 3.99Å; L297-M313 HydrophobicContact CG-SD 4.11Å; K309-M313 VanDerWaalsContact O-CB 3.24Å; K309-M313 WeakPolarHBondContact O-CB 3.48Å; K309-M313 PolarHBondContact O-N 3.13Å; H311-M313 PolarHBondContact O-N 3.18Å; M313-K317 HydrophobicContact CG-CB 4.38Å; M313-K317 HydrophobicContact CG-CD 4.42Å; M313-K317 CarbonylContact O-C 3.59Å; M313-K317 WeakPolarHBondContact O-CB 3.43Å; M313-K317 PolarHBondContact O-N 3.44Å; M313-W318 HydrophobicContact CG-CD2 4.06Å; M313-W318 HydrophobicContact CG-CE3 4.34Å; M313-W318 HydrophobicContact CG-CH2 4.07Å; M313-W318 HydrophobicContact CG-CZ2 3.78Å; M313-W318 HydrophobicContact CG-CZ3 4.34Å; M313-W318 PolarHBondContact O-N 3.06Å; M313-W318 HydrophobicContact SD-CH2 3.73Å; M313-W318 HydrophobicContact SD-CZ2 3.44Å; M313-W318 WeakPolarHBondContact SD-CZ2 3.11Å
314I96.6Very high96.4Very high3 Ų351.8 Ų51.82%0.01527%0.265CS..Iπ-helixtrans-72.8-42.4-177.2-66.8-179.4000111.3I262 F310 H311 T312 W318 G319 L320 M322I262-I314 HydrophobicContact CD1-CD1 3.61Å; I262-I314 HydrophobicContact CD1-CG2 4.38Å; I262-I314 HydrophobicContact CG1-CD1 4.15Å; I262-I314 HydrophobicContact CG2-CD1 4.07Å; F310-I314 HydrophobicContact CD1-CD1 3.75Å; F310-I314 HydrophobicContact CE1-CD1 3.35Å; F310-I314 HydrophobicContact CZ-CD1 3.94Å; F310-I314 WeakPolarHBondContact O-CG1 3.48Å; F310-I314 PolarHBondContact O-N 3.5Å; H311-I314 PolarHBondContact O-N 3.12Å; T312-I314 PolarHBondContact O-N 3.36Å; I314-W318 HydrophobicContact CG1-CE3 3.87Å; I314-W318 HydrophobicContact CG1-CZ3 3.97Å; I314-W318 CarbonylContact O-C 3.6Å; I314-G319 PolarHBondContact O-N 2.74Å; I314-L320 HydrophobicContact CG2-CB 3.86Å; I314-L320 HydrophobicContact CG2-CD1 4.34Å; I314-L320 PolarHBondContact O-N 3.36Å; I314-M322 HydrophobicContact CG2-CG 4.44Å; I314-M322 HydrophobicContact CG2-SD 3.82Å
315T96.6Very high96.5Very high35 Ų3548 Ų4822%0.21525%0.247CC..Iπ-helixtrans-84-43.3-176.653.40000114.2H311 G319 M322H311-T315 PolarHBondContact CE1-OG1 3.12Å; H311-T315 VanDerWaalsContact NE2-CG2 3.35Å; H311-T315 WeakPolarHBondContact NE2-CG2 3.1Å; H311-T315 PolarHBondContact O-N 3Å; H311-T315 PolarHBondContact O-OG1 3.15Å; T315-G319 VanDerWaalsContact O-CA 3.29Å; T315-G319 WeakPolarHBondContact O-CA 3.03Å; T315-G319 PolarHBondContact O-N 3.44Å; T315-M322 HydrophobicContact CG2-CB 4.38Å; T315-M322 HydrophobicContact CG2-CG 3.65Å
316E95.8Very high96.5Very high141 Ų14144.5 Ų44.566%0.65923%0.228SC*.Iπ-helixtrans-96.1-43.5-173-59169.2-126.900112.4T312T312-E316 WeakPolarHBondContact CB-OE1 3.44Å; T312-E316 HydrophobicContact CG2-CB 4.35Å; T312-E316 HydrophobicContact CG2-CG 4.41Å; T312-E316 WeakPolarHBondContact CG2-OE1 3.48Å; T312-E316 WeakPolarHBondContact O-CA 3.41Å; T312-E316 VanDerWaalsContact O-CB 3.3Å; T312-E316 WeakPolarHBondContact O-CB 3.23Å; T312-E316 PolarHBondContact O-N 2.89Å; T312-E316 PolarHBondContact OG1-OE1 2.72Å
317K93.9Very high96.6Very high137 Ų13744.5 Ų44.560%0.59623%0.228SC*.Iπ-helixtrans-82.6-30.7-179.3-167.1-179.2179.4-175.40113T312 M313T312-K317 PolarHBondContact O-N 3.12Å; M313-K317 HydrophobicContact CG-CB 4.38Å; M313-K317 HydrophobicContact CG-CD 4.42Å; M313-K317 CarbonylContact O-C 3.59Å; M313-K317 WeakPolarHBondContact O-CB 3.43Å; M313-K317 PolarHBondContact O-N 3.44Å
318W95.6Very high96.6Very high6 Ų644.2 Ų44.22%0.02323%0.226CC..SBendtrans-112.8-1.9-179.4-59.5-19.4000114.2R247 L251 V278 I294 M313 I314 L320R247-W318 VanDerWaalsContact CD-CD1 3.49Å; L251-W318 HydrophobicContact CD1-CB 3.89Å; L251-W318 HydrophobicContact CD1-CG 4.34Å; L251-W318 WeakPolarHBondContact CD1-O 3.48Å; L251-W318 HydrophobicContact CD2-CB 4.04Å; V278-W318 HydrophobicContact CB-CH2 3.83Å; V278-W318 HydrophobicContact CB-CZ3 3.93Å; V278-W318 HydrophobicContact CG1-CH2 4.34Å; V278-W318 HydrophobicContact CG1-CZ3 3.92Å; V278-W318 HydrophobicContact CG2-CH2 3.99Å; V278-W318 HydrophobicContact CG2-CZ3 4.3Å; I294-W318 HydrophobicContact CB-CE3 4.44Å; I294-W318 HydrophobicContact CB-CH2 4.47Å; I294-W318 HydrophobicContact CB-CZ3 4.29Å; I294-W318 HydrophobicContact CG2-CD2 3.58Å; I294-W318 HydrophobicContact CG2-CE3 3.59Å; I294-W318 HydrophobicContact CG2-CG 4.15Å; I294-W318 HydrophobicContact CG2-CH2 4.11Å; I294-W318 HydrophobicContact CG2-CZ2 4.07Å; I294-W318 HydrophobicContact CG2-CZ3 3.86Å; M313-W318 HydrophobicContact CG-CD2 4.06Å; M313-W318 HydrophobicContact CG-CE3 4.34Å; M313-W318 HydrophobicContact CG-CH2 4.07Å; M313-W318 HydrophobicContact CG-CZ2 3.78Å; M313-W318 HydrophobicContact CG-CZ3 4.34Å; M313-W318 PolarHBondContact O-N 3.06Å; M313-W318 HydrophobicContact SD-CH2 3.73Å; M313-W318 HydrophobicContact SD-CZ2 3.44Å; M313-W318 WeakPolarHBondContact SD-CZ2 3.11Å; I314-W318 HydrophobicContact CG1-CE3 3.87Å; I314-W318 HydrophobicContact CG1-CZ3 3.97Å; I314-W318 CarbonylContact O-C 3.6Å; W318-L320 PolarHBondContact O-N 3.41Å; W318-L320 VanDerWaalsContact O-N 3.12Å
319G95.9Very high96.5Very high43 Ų4339.7 Ų39.744%0.44320%0.198SC..  trans62.720.117200000115.2I314 T315I314-G319 PolarHBondContact O-N 2.74Å; T315-G319 VanDerWaalsContact O-CA 3.29Å; T315-G319 WeakPolarHBondContact O-CA 3.03Å; T315-G319 PolarHBondContact O-N 3.44Å
320L96.8Very high96.4Very high3 Ų335.4 Ų35.42%0.01618%0.18CC..  trans-87.7121.1-179.9-64.7-175.8000110.5L251 V254 R255 F260 V280 I314 W318 M322L251-L320 HydrophobicContact CD2-CD1 3.87Å; L251-L320 HydrophobicContact CD2-CD2 3.82Å; L251-L320 HydrophobicContact CD2-CG 3.84Å; V254-L320 HydrophobicContact CB-CD2 4.18Å; V254-L320 HydrophobicContact CG1-CD1 4.36Å; V254-L320 HydrophobicContact CG1-CD2 3.66Å; R255-L320 HydrophobicContact CG-CD2 3.98Å; F260-L320 HydrophobicContact CE1-CB 4.29Å; F260-L320 HydrophobicContact CE2-CB 4.39Å; F260-L320 HydrophobicContact CE2-CD1 4.17Å; F260-L320 HydrophobicContact CZ-CB 3.85Å; F260-L320 HydrophobicContact CZ-CD1 4.41Å; V280-L320 HydrophobicContact CG2-CD1 4.07Å; I314-L320 HydrophobicContact CG2-CB 3.86Å; I314-L320 HydrophobicContact CG2-CD1 4.34Å; I314-L320 PolarHBondContact O-N 3.36Å; W318-L320 PolarHBondContact O-N 3.41Å; W318-L320 VanDerWaalsContact O-N 3.12Å; L320-M322 PolarHBondContact O-N 2.62Å
321N96.6Very high96.1Very high67 Ų6735.5 Ų35.536%0.35818%0.18SC..  trans-75.9107.7177.6-177.214.1000111.1F260 E323 Y324F260-N321 WeakPolarHBondContact CE1-O 3.43Å; N321-E323 PolarHBondContact O-N 3.11Å; N321-E323 VanDerWaalsContact O-N 3.12Å; N321-E323 WeakPolarHBondContact OD1-CG 3.48Å; N321-E323 PolarHBondContact OD1-N 2.88Å; N321-E323 VanDerWaalsContact OD1-N 3.16Å; N321-Y324 HydrophobicContact CB-CD2 3.85Å; N321-Y324 HydrophobicContact CB-CE2 4.05Å; N321-Y324 WeakPolarHBondContact ND2-CE2 3.47Å; N321-Y324 PolarHBondContact O-N 2.96Å
322M97.1Very high95.5Very high2 Ų234.4 Ų34.41%0.0118%0.175CC..G310 helixtrans-59.8-19.7178.6-74.2-63.4-60.600114.6F260 I262 I314 T315 L320 Y324 C325 L347 Y351F260-M322 HydrophobicContact CZ-SD 4.39Å; I262-M322 HydrophobicContact CD1-CE 3.83Å; I262-M322 HydrophobicContact CD1-SD 3.54Å; I262-M322 VanDerWaalsContact CD1-SD 3.54Å; I314-M322 HydrophobicContact CG2-CG 4.44Å; I314-M322 HydrophobicContact CG2-SD 3.82Å; T315-M322 HydrophobicContact CG2-CB 4.38Å; T315-M322 HydrophobicContact CG2-CG 3.65Å; L320-M322 PolarHBondContact O-N 2.62Å; M322-Y324 PolarHBondContact O-N 3.18Å; M322-Y324 VanDerWaalsContact O-N 3.16Å; M322-C325 HydrophobicContact CE-CB 3.82Å; M322-C325 VanDerWaalsContact O-CB 3.24Å; M322-C325 WeakPolarHBondContact O-CB 3.25Å; M322-C325 PolarHBondContact O-N 3.31Å; M322-C325 HydrophobicContact SD-CB 4.08Å; M322-L347 HydrophobicContact CE-CD1 4.26Å; M322-L347 HydrophobicContact CE-CD2 4.39Å; M322-Y351 HydrophobicContact CB-CD1 3.84Å; M322-Y351 HydrophobicContact CB-CD2 3.76Å; M322-Y351 HydrophobicContact CB-CE1 3.52Å; M322-Y351 HydrophobicContact CB-CE2 3.43Å; M322-Y351 VanDerWaalsContact CB-CE2 3.43Å; M322-Y351 HydrophobicContact CB-CG 3.95Å; M322-Y351 HydrophobicContact CE-CD2 3.91Å; M322-Y351 HydrophobicContact CE-CE2 4.33Å; M322-Y351 HydrophobicContact CE-CG 4.48Å; M322-Y351 HydrophobicContact CG-CD2 4.34Å; M322-Y351 HydrophobicContact CG-CE2 3.88Å
323E95.6Very high94.8Very high109 Ų10933.2 Ų33.251%0.50917%0.169SC..G310 helixtrans-62.6-18171.5-59.4-61.9164.100113.1N321 R326 Y351N321-E323 PolarHBondContact O-N 3.11Å; N321-E323 VanDerWaalsContact O-N 3.12Å; N321-E323 WeakPolarHBondContact OD1-CG 3.48Å; N321-E323 PolarHBondContact OD1-N 2.88Å; N321-E323 VanDerWaalsContact OD1-N 3.16Å; E323-R326 PolarHBondContact O-NH1 2.81Å; E323-R326 PolarHBondContact O-NH2 2.78Å; E323-Y351 HydrophobicContact CG-CE1 4.36Å; E323-Y351 WeakPolarHBondContact OE1-CE1 3.11Å
324Y96.9Very high93.8Very high84 Ų8433.5 Ų33.533%0.32917%0.173SC..G310 helixtrans-102.13.9173.2-48.9-43.6000113.4H258 F259 F260 N321 M322H258-Y324 AromaticContact CE1-CE1 3.56Å; H258-Y324 AromaticContact CE1-CE2 3.63Å; H258-Y324 AromaticContact CE1-CZ 3.28Å; H258-Y324 PolarHBondContact CE1-OH 2.82Å; H258-Y324 AromaticContact ND1-CE2 3.94Å; H258-Y324 AromaticContact NE2-CD1 3.71Å; H258-Y324 AromaticContact NE2-CE1 3.35Å; H258-Y324 VanDerWaalsContact NE2-CE1 3.35Å; H258-Y324 WeakPolarHBondContact NE2-CE1 3.36Å; H258-Y324 AromaticContact NE2-CZ 3.61Å; H258-Y324 WeakPolarHBondContact O-CB 3.49Å; F259-Y324 WeakPolarHBondContact CA-O 3.49Å; F259-Y324 HydrophobicContact CE1-CD1 4.33Å; F260-Y324 PolarHBondContact N-O 3.02Å; F260-Y324 VanDerWaalsContact N-O 3.17Å; N321-Y324 HydrophobicContact CB-CD2 3.85Å; N321-Y324 HydrophobicContact CB-CE2 4.05Å; N321-Y324 WeakPolarHBondContact ND2-CE2 3.47Å; N321-Y324 PolarHBondContact O-N 2.96Å; M322-Y324 PolarHBondContact O-N 3.18Å; M322-Y324 VanDerWaalsContact O-N 3.16Å
325C97.8Very high92.6Very high1 Ų135.7 Ų35.71%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-73.9128.1171.5-169.20000110F260 M322 G327 A354F260-C325 HydrophobicContact CE1-CB 4.49Å; F260-C325 HydrophobicContact CE2-CB 3.99Å; F260-C325 HydrophobicContact CZ-CB 3.92Å; F260-C325 CarbonylContact O-C 3.24Å; F260-C325 VanDerWaalsContact O-CA 3.28Å; F260-C325 WeakPolarHBondContact O-CA 3.47Å; M322-C325 HydrophobicContact CE-CB 3.82Å; M322-C325 VanDerWaalsContact O-CB 3.24Å; M322-C325 WeakPolarHBondContact O-CB 3.25Å; M322-C325 PolarHBondContact O-N 3.31Å; M322-C325 HydrophobicContact SD-CB 4.08Å; C325-G327 PolarHBondContact SG-O 3.5Å; C325-A354 HydrophobicContact CB-CB 4.13Å
326R96.7Very high92.1Very high9 Ų936.5 Ų36.53%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-117.8-8.5-177.1-65.8-69170.7-823.1114.6F259 F260 E323 Q353 I355 D631 V683 I686 L687F259-R326 HydrophobicContact CB-CG 4.42Å; F259-R326 HydrophobicContact CD1-CG 4.22Å; F260-R326 PolarHBondContact O-N 3.1Å; E323-R326 PolarHBondContact O-NH1 2.81Å; E323-R326 PolarHBondContact O-NH2 2.78Å; R326-Q353 CarbonylContact C-O 3.49Å; R326-Q353 WeakPolarHBondContact CA-O 3.38Å; R326-I355 PolarHBondContact O-N 2.91Å; R326-D631 IonicContact CZ-OD1 2.65Å; R326-D631 IonicContact CZ-OD2 2.63Å; R326-D631 IonicContact NE-OD1 2.68Å; R326-D631 IonicContact NE-OD2 3.59Å; R326-D631 PolarHBondContact NE-OD2 3.08Å; R326-D631 IonicContact NH2-OD1 3.45Å; R326-D631 PolarHBondContact NH2-OD1 2.84Å; R326-D631 IonicContact NH2-OD2 3.68Å; R326-D631 PolarHBondContact NH2-OD2 3.33Å; R326-V683 HydrophobicContact CB-CG1 4.26Å; R326-V683 HydrophobicContact CG-CG1 3.97Å; R326-I686 HydrophobicContact CB-CD1 3.81Å; R326-I686 HydrophobicContact CB-CG1 4.4Å; R326-I686 HydrophobicContact CG-CD1 4.15Å; R326-L687 VanDerWaalsContact O-CD2 3.24Å; R326-L687 WeakPolarHBondContact O-CD2 3.32Å
327G97Very high91.7Very high0 Ų030.3 Ų30.30%017%0.17CC..EExtended strand (participates in β ladder)trans-157.3149.6174.200000113S261 I262 C325 I355S261-G327 CarbonylContact C-O 3.51Å; S261-G327 WeakPolarHBondContact CA-O 3.5Å; S261-G327 WeakPolarHBondContact CB-O 3.43Å; S261-G327 WeakPolarHBondContact OG-CA 3.38Å; S261-G327 PolarHBondContact OG-N 3.28Å; I262-G327 PolarHBondContact N-O 3.48Å; C325-G327 PolarHBondContact SG-O 3.5Å; G327-I355 CarbonylContact C-O 3.47Å; G327-I355 VanDerWaalsContact CA-O 3.27Å; G327-I355 WeakPolarHBondContact CA-O 3.28Å
328Q96.9Very high91.4Very high1 Ų127 Ų271%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-136.3135.3174.457-179.7-47.500109.9I262 Y330 A354 I355 Y356 T357I262-Q328 WeakPolarHBondContact O-CA 3.32Å; Q328-Y330 HydrophobicContact CB-CE2 4.39Å; Q328-Y330 PolarHBondContact OE1-OH 3.36Å; Q328-A354 WeakPolarHBondContact CG-O 3.46Å; Q328-A354 PolarHBondContact NE2-O 3.2Å; Q328-I355 PolarHBondContact N-O 2.88Å; Q328-Y356 HydrophobicContact CG-CD2 4.32Å; Q328-Y356 WeakPolarHBondContact O-CA 3.23Å; Q328-T357 PolarHBondContact O-N 2.94Å
329A96Very high91.2Very high0 Ų029.1 Ų29.10%017%0.173CC..EExtended strand (participates in β ladder)trans-143.5134.4179.200000112I262 I263 T264 T357 C359 P688I262-A329 PolarHBondContact O-N 3.31Å; I263-A329 VanDerWaalsContact CA-O 3.27Å; I263-A329 WeakPolarHBondContact CA-O 3.48Å; I263-A329 HydrophobicContact CG1-CB 4.49Å; I263-A329 HydrophobicContact CG2-CB 4.16Å; T264-A329 PolarHBondContact N-O 3.06Å; A329-T357 WeakPolarHBondContact CA-O 3.44Å; A329-T357 WeakPolarHBondContact CB-O 3.34Å; A329-C359 HydrophobicContact CB-CB 4.07Å; A329-P688 HydrophobicContact CB-CB 3.47Å; A329-P688 VanDerWaalsContact CB-CB 3.47Å; A329-P688 HydrophobicContact CB-CG 3.78Å
330Y94.6Very high91.1Very high3 Ų327.1 Ų27.11%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-120.8109-174.7-60.1-61.8000109.6T264 F310 Q328 V332 M340 A344 L347 Y356 W367T264-Y330 HydrophobicContact CG2-CD1 3.7Å; T264-Y330 HydrophobicContact CG2-CE1 3.9Å; F310-Y330 HydrophobicContact CE1-CE1 4.31Å; F310-Y330 HydrophobicContact CE2-CE1 4.19Å; F310-Y330 AromaticContact CZ-CE1 3.74Å; F310-Y330 HydrophobicContact CZ-CE1 3.74Å; Q328-Y330 HydrophobicContact CB-CE2 4.39Å; Q328-Y330 PolarHBondContact OE1-OH 3.36Å; Y330-V332 PolarHBondContact O-N 2.8Å; Y330-M340 HydrophobicContact CD1-CE 3.3Å; Y330-M340 HydrophobicContact CD2-CB 4.44Å; Y330-M340 HydrophobicContact CE1-CE 3.38Å; Y330-M340 HydrophobicContact CG-CB 4.08Å; Y330-M340 HydrophobicContact CG-CE 3.93Å; Y330-A344 HydrophobicContact CD2-CB 3.96Å; Y330-A344 HydrophobicContact CE2-CB 3.65Å; Y330-L347 WeakPolarHBondContact OH-CD1 3.17Å; Y330-Y356 HydrophobicContact CD2-CD2 4.21Å; Y330-Y356 AromaticContact CD2-CE2 3.79Å; Y330-Y356 HydrophobicContact CD2-CE2 3.79Å; Y330-Y356 HydrophobicContact CE2-CD2 4.5Å; Y330-W367 PolarHBondContact O-NE1 3.35Å
331I89.9Confident90.9Very high3 Ų329.4 Ų29.42%0.01516%0.162CC..  trans-99.961.6-178.4-42.8176.3000109.1I263 T264 D265 D266 C359 C362I263-I331 HydrophobicContact CG2-CD1 4.2Å; I263-I331 HydrophobicContact CG2-CG1 4.38Å; T264-I331 WeakPolarHBondContact O-CB 3.35Å; T264-I331 WeakPolarHBondContact O-CG1 3.48Å; D265-I331 CarbonylContact C-O 3.51Å; D266-I331 PolarHBondContact N-O 3.26Å; I331-C359 HydrophobicContact CD1-CB 3.47Å; I331-C359 VanDerWaalsContact CD1-CB 3.47Å; I331-C359 HydrophobicContact CG1-CB 3.85Å; I331-C362 HydrophobicContact CD1-CB 4.06Å; I331-C362 HydrophobicContact CG2-CB 3.64Å
332V84.7Confident90.8Very high2 Ų228.3 Ų28.31%0.01216%0.158CC..  trans-119.2127.6-170.6-162.80000111T264 V267 L276 Y330 F336 S337 M340T264-V332 VanDerWaalsContact OG1-CG2 3.3Å; T264-V332 WeakPolarHBondContact OG1-CG2 3.49Å; V267-V332 HydrophobicContact CG2-CG1 3.92Å; L276-V332 HydrophobicContact CD2-CG1 4.45Å; L276-V332 HydrophobicContact CD2-CG2 3.95Å; Y330-V332 PolarHBondContact O-N 2.8Å; V332-F336 HydrophobicContact CG1-CB 3.57Å; V332-F336 HydrophobicContact CG1-CG 4.47Å; V332-S337 WeakPolarHBondContact O-CB 3.26Å; V332-S337 PolarHBondContact O-OG 3.48Å; V332-M340 HydrophobicContact CB-CG 4.2Å; V332-M340 HydrophobicContact CG2-CG 3.86Å
333S84.3Confident90.8Very high26 Ų2628.2 Ų28.218%0.18216%0.158CC..  trans-79.5155.8-178.1-510000114D266 K370D266-S333 WeakPolarHBondContact OD1-CB 3.36Å; D266-S333 PolarHBondContact OD1-N 3.28Å; D266-S333 PolarHBondContact OD1-OG 3.35Å; S333-K370 CarbonylContact C-O 3.57Å; S333-K370 VanDerWaalsContact OG-CD 3.28Å; S333-K370 WeakPolarHBondContact OG-CD 3.45Å; S333-K370 WeakPolarHBondContact OG-CE 3.47Å; S333-K370 WeakPolarHBondContact OG-CG 3.15Å; S333-K370 PolarHBondContact OG-NZ 3.2Å
334S75.1Confident90.8Very high28 Ų2823.2 Ų23.220%0.19613%0.134CC..THydrogen-bonded Turntrans65.2-152.5163.8820000114.9F336 S337 K370 S378S334-F336 PolarHBondContact O-N 2.88Å; S334-S337 WeakPolarHBondContact O-CB 3.39Å; S334-S337 PolarHBondContact O-N 3.09Å; S334-K370 PolarHBondContact N-O 3.45Å; S334-S378 WeakPolarHBondContact CB-OG 3.21Å
335G71.8Confident90.7Very high50 Ų5022.1 Ų22.152%0.51514%0.139SC..Hα-helixtrans-62.7-7.8-179.300000115.4S338G335-S338 PolarHBondContact O-OG 2.68Å
336F84.8Confident90.7Very high51 Ų5126.8 Ų26.822%0.22416%0.157CC..Hα-helixtrans-75.8-28167.8-54.3-59.5000112.4V267 E274 Y299 V332 S334 K339 M340V267-F336 HydrophobicContact CB-CD2 4.17Å; V267-F336 HydrophobicContact CB-CE2 4.15Å; V267-F336 HydrophobicContact CB-CZ 4.44Å; V267-F336 HydrophobicContact CG1-CZ 4.36Å; V267-F336 HydrophobicContact CG2-CB 4.14Å; V267-F336 HydrophobicContact CG2-CD1 4.15Å; V267-F336 HydrophobicContact CG2-CD2 3.96Å; V267-F336 HydrophobicContact CG2-CE1 4.5Å; V267-F336 HydrophobicContact CG2-CE2 4.36Å; V267-F336 HydrophobicContact CG2-CG 3.84Å; E274-F336 WeakPolarHBondContact OE1-CZ 3.3Å; Y299-F336 HydrophobicContact CD1-CD1 4.18Å; Y299-F336 HydrophobicContact CD1-CE1 4.13Å; Y299-F336 AromaticContact CE1-CD1 3.36Å; Y299-F336 HydrophobicContact CE1-CD1 3.36Å; Y299-F336 AromaticContact CE1-CE1 3.7Å; Y299-F336 HydrophobicContact CE1-CE1 3.7Å; Y299-F336 HydrophobicContact CE1-CG 4.46Å; Y299-F336 HydrophobicContact CE2-CD1 4.5Å; Y299-F336 AromaticContact CZ-CD1 3.55Å; Y299-F336 WeakPolarHBondContact OH-CA 3.37Å; Y299-F336 WeakPolarHBondContact OH-CD1 3.47Å; V332-F336 HydrophobicContact CG1-CB 3.57Å; V332-F336 HydrophobicContact CG1-CG 4.47Å; S334-F336 PolarHBondContact O-N 2.88Å; F336-K339 WeakPolarHBondContact O-CB 3.22Å; F336-K339 PolarHBondContact O-N 2.95Å; F336-M340 PolarHBondContact O-N 2.85Å
337S87.4Confident90.7Very high11 Ų1126.6 Ų26.68%0.07716%0.156CC..Hα-helixtrans-64.1-44.9-176.2-146.30000112.1V332 S334 K339 M340 K341V332-S337 WeakPolarHBondContact O-CB 3.26Å; V332-S337 PolarHBondContact O-OG 3.48Å; S334-S337 WeakPolarHBondContact O-CB 3.39Å; S334-S337 PolarHBondContact O-N 3.09Å; S337-K339 VanDerWaalsContact C-N 3.28Å; S337-K339 PolarHBondContact O-N 3.12Å; S337-M340 PolarHBondContact O-N 3.12Å; S337-M340 VanDerWaalsContact O-N 3.12Å; S337-K341 PolarHBondContact O-N 3.3Å
338S88.2Confident90.6Very high68 Ų6829 Ų2948%0.47617%0.169SC..Hα-helixtrans-63.4-31.6176.8560000113.2G335 K341 V342G335-S338 PolarHBondContact O-OG 2.68Å; S338-K341 WeakPolarHBondContact O-CB 3.48Å; S338-K341 PolarHBondContact O-N 2.82Å; S338-V342 PolarHBondContact O-N 2.68Å
339K91.3Very high90.6Very high50 Ų5035 Ų3522%0.21720%0.197CC..Hα-helixtrans-70.3-42.7171.8-65173.9159.9-167.50111.6Y299 E300 A301 A303 L306 F336 S337 K341 V342 V343Y299-K339 HydrophobicContact CE1-CD 4.09Å; Y299-K339 WeakPolarHBondContact OH-CB 3.48Å; Y299-K339 WeakPolarHBondContact OH-CD 3.43Å; E300-K339 PolarHBondContact O-NZ 2.95Å; A301-K339 VanDerWaalsContact C-NZ 3.35Å; A301-K339 WeakPolarHBondContact O-CE 3.34Å; A301-K339 PolarHBondContact O-NZ 3.44Å; A303-K339 HydrophobicContact CB-CB 4.04Å; A303-K339 HydrophobicContact CB-CG 4.13Å; L306-K339 HydrophobicContact CD2-CB 4.4Å; F336-K339 WeakPolarHBondContact O-CB 3.22Å; F336-K339 PolarHBondContact O-N 2.95Å; S337-K339 VanDerWaalsContact C-N 3.28Å; S337-K339 PolarHBondContact O-N 3.12Å; K339-K341 PolarHBondContact O-N 2.89Å; K339-V342 WeakPolarHBondContact O-CB 3.5Å; K339-V342 PolarHBondContact O-N 2.88Å; K339-V343 PolarHBondContact O-N 2.84Å
340M93.8Very high90.6Very high1 Ų140.4 Ų40.41%0.00522%0.22CC..Hα-helixtrans-64.4-26.3174.8-65.7-47.8-62.900112.9T264 L276 Y299 L306 F310 Y330 V332 F336 S337 V342 V343 A344T264-M340 HydrophobicContact CG2-CE 4.47Å; L276-M340 HydrophobicContact CD1-CE 3.98Å; L276-M340 HydrophobicContact CD1-SD 3.58Å; L276-M340 VanDerWaalsContact CD1-SD 3.58Å; L276-M340 HydrophobicContact CD2-SD 4.36Å; Y299-M340 HydrophobicContact CE2-SD 4.41Å; L306-M340 HydrophobicContact CD2-SD 3.76Å; F310-M340 HydrophobicContact CD2-CE 4.46Å; F310-M340 HydrophobicContact CE2-CE 4.24Å; Y330-M340 HydrophobicContact CD1-CE 3.3Å; Y330-M340 HydrophobicContact CD2-CB 4.44Å; Y330-M340 HydrophobicContact CE1-CE 3.38Å; Y330-M340 HydrophobicContact CG-CB 4.08Å; Y330-M340 HydrophobicContact CG-CE 3.93Å; V332-M340 HydrophobicContact CB-CG 4.2Å; V332-M340 HydrophobicContact CG2-CG 3.86Å; F336-M340 PolarHBondContact O-N 2.85Å; S337-M340 PolarHBondContact O-N 3.12Å; S337-M340 VanDerWaalsContact O-N 3.12Å; M340-V342 VanDerWaalsContact C-N 3.35Å; M340-V343 HydrophobicContact CE-CB 4.13Å; M340-V343 HydrophobicContact CE-CG1 4.22Å; M340-V343 HydrophobicContact CE-CG2 4.14Å; M340-V343 WeakPolarHBondContact O-CB 3.3Å; M340-V343 PolarHBondContact O-N 3.29Å; M340-V343 HydrophobicContact SD-CG2 4.12Å; M340-A344 WeakPolarHBondContact O-CB 3.14Å; M340-A344 PolarHBondContact O-N 2.54Å
341K92.3Very high90.7Very high52 Ų5241.3 Ų41.323%0.22622%0.224CC..Hα-helixtrans-63.7-37.6170.4-165.1167.5-173.7163.50112.5S337 S338 K339 A344 S345 E589 D592S337-K341 PolarHBondContact O-N 3.3Å; S338-K341 WeakPolarHBondContact O-CB 3.48Å; S338-K341 PolarHBondContact O-N 2.82Å; K339-K341 PolarHBondContact O-N 2.89Å; K341-A344 WeakPolarHBondContact O-CB 3.44Å; K341-A344 PolarHBondContact O-N 3.41Å; K341-S345 PolarHBondContact O-N 3.21Å; K341-S345 PolarHBondContact O-OG 3.49Å; K341-E589 WeakPolarHBondContact CD-OE1 3.43Å; K341-E589 WeakPolarHBondContact CE-OE1 3.27Å; K341-E589 VanDerWaalsContact NZ-CD 3.34Å; K341-E589 IonicContact NZ-OE1 2.68Å; K341-E589 PolarHBondContact NZ-OE1 3.33Å; K341-E589 IonicContact NZ-OE2 3.7Å; K341-D592 WeakPolarHBondContact CE-OD2 3.35Å; K341-D592 IonicContact NZ-OD2 2.68Å; K341-D592 PolarHBondContact NZ-OD2 2.9Å
342V95Very high90.9Very high44 Ų4444.7 Ų44.727%0.26725%0.246SC..Hα-helixtrans-64.5-44.6171.4-177.70000110.7A303 S338 K339 M340 A344 S345 R346A303-V342 HydrophobicContact CB-CB 3.91Å; A303-V342 HydrophobicContact CB-CG1 4.13Å; A303-V342 HydrophobicContact CB-CG2 3.97Å; S338-V342 PolarHBondContact O-N 2.68Å; K339-V342 WeakPolarHBondContact O-CB 3.5Å; K339-V342 PolarHBondContact O-N 2.88Å; M340-V342 VanDerWaalsContact C-N 3.35Å; V342-A344 VanDerWaalsContact C-N 3.3Å; V342-A344 PolarHBondContact O-N 3.1Å; V342-S345 PolarHBondContact O-N 3.11Å; V342-R346 HydrophobicContact CG1-CG 4.32Å; V342-R346 WeakPolarHBondContact O-CG 3.43Å; V342-R346 PolarHBondContact O-N 3.34Å
343V95.8Very high91.2Very high0 Ų046.9 Ų46.90%026%0.256CS..Hα-helixtrans-56.6-45.6174.1-176.60000110.8L306 A307 F310 K339 M340 S345 R346 L347L306-V343 HydrophobicContact CB-CG2 4.37Å; L306-V343 HydrophobicContact CD2-CG2 3.96Å; L306-V343 HydrophobicContact CG-CG2 3.88Å; A307-V343 HydrophobicContact CB-CB 4.44Å; A307-V343 HydrophobicContact CB-CG2 4.12Å; F310-V343 HydrophobicContact CB-CG1 4.12Å; F310-V343 HydrophobicContact CD1-CG1 4.02Å; F310-V343 HydrophobicContact CD2-CG1 4.44Å; F310-V343 HydrophobicContact CG-CG1 3.95Å; K339-V343 PolarHBondContact O-N 2.84Å; M340-V343 HydrophobicContact CE-CB 4.13Å; M340-V343 HydrophobicContact CE-CG1 4.22Å; M340-V343 HydrophobicContact CE-CG2 4.14Å; M340-V343 WeakPolarHBondContact O-CB 3.3Å; M340-V343 PolarHBondContact O-N 3.29Å; M340-V343 HydrophobicContact SD-CG2 4.12Å; V343-S345 PolarHBondContact O-N 3.27Å; V343-R346 PolarHBondContact O-N 3.03Å; V343-L347 HydrophobicContact CG1-CD1 4.31Å; V343-L347 HydrophobicContact CG1-CG 4.44Å; V343-L347 WeakPolarHBondContact O-CG 3.38Å; V343-L347 PolarHBondContact O-N 3.31Å
344A95.6Very high91.8Very high3 Ų345.6 Ų45.63%0.02525%0.247CC..Hα-helixtrans-58.8-48.1177.100000112.2Y330 M340 K341 V342 L347 L348 Y356Y330-A344 HydrophobicContact CD2-CB 3.96Å; Y330-A344 HydrophobicContact CE2-CB 3.65Å; M340-A344 WeakPolarHBondContact O-CB 3.14Å; M340-A344 PolarHBondContact O-N 2.54Å; K341-A344 WeakPolarHBondContact O-CB 3.44Å; K341-A344 PolarHBondContact O-N 3.41Å; V342-A344 VanDerWaalsContact C-N 3.3Å; V342-A344 PolarHBondContact O-N 3.1Å; A344-L347 PolarHBondContact O-N 3.1Å; A344-L348 VanDerWaalsContact O-CB 3.26Å; A344-L348 WeakPolarHBondContact O-CB 3.45Å; A344-L348 PolarHBondContact O-N 2.79Å; A344-Y356 HydrophobicContact CB-CD2 3.87Å; A344-Y356 HydrophobicContact CB-CE2 4.05Å; A344-Y356 HydrophobicContact CB-CG 4.11Å
345S95.6Very high92.7Very high62 Ų6244.3 Ų44.343%0.43424%0.238SC..Hα-helixtrans-60.2-47.6175.7-61.90000111.9K341 V342 V343 L347 L348 E349K341-S345 PolarHBondContact O-N 3.21Å; K341-S345 PolarHBondContact O-OG 3.49Å; V342-S345 PolarHBondContact O-N 3.11Å; V343-S345 PolarHBondContact O-N 3.27Å; S345-L347 PolarHBondContact O-N 3.13Å; S345-L348 PolarHBondContact O-N 3.44Å; S345-E349 WeakPolarHBondContact O-CB 3.33Å; S345-E349 VanDerWaalsContact O-CG 3.29Å; S345-E349 WeakPolarHBondContact O-CG 3.4Å; S345-E349 PolarHBondContact O-N 2.97Å
346R97.2Very high93.9Very high99 Ų9942.9 Ų42.937%0.37422%0.218SC..Hα-helixtrans-63.6-37.7179.7-69.2-50.8-171.2-159-4.8113.4E304 A307 V342 V343 E349 K350E304-R346 IonicContact OE1-CZ 2.65Å; E304-R346 IonicContact OE1-NE 3.57Å; E304-R346 PolarHBondContact OE1-NE 3.22Å; E304-R346 IonicContact OE1-NH2 3.77Å; E304-R346 PolarHBondContact OE1-NH2 2.67Å; E304-R346 IonicContact OE2-CZ 2.78Å; E304-R346 IonicContact OE2-NE 3.5Å; E304-R346 PolarHBondContact OE2-NE 3.31Å; E304-R346 IonicContact OE2-NH2 3.95Å; E304-R346 PolarHBondContact OE2-NH2 2.85Å; A307-R346 HydrophobicContact CB-CB 3.97Å; A307-R346 HydrophobicContact CB-CG 3.95Å; V342-R346 HydrophobicContact CG1-CG 4.32Å; V342-R346 WeakPolarHBondContact O-CG 3.43Å; V342-R346 PolarHBondContact O-N 3.34Å; V343-R346 PolarHBondContact O-N 3.03Å; R346-E349 WeakPolarHBondContact CD-OE2 3.39Å; R346-E349 IonicContact CZ-OE2 2.88Å; R346-E349 IonicContact NE-OE2 3.48Å; R346-E349 IonicContact NH1-OE1 3.32Å; R346-E349 PolarHBondContact NH1-OE1 2.85Å; R346-E349 IonicContact NH1-OE2 2.71Å; R346-E349 PolarHBondContact NH1-OE2 2.87Å; R346-K350 WeakPolarHBondContact O-CB 3.16Å; R346-K350 PolarHBondContact O-N 2.66Å
347L96.8Very high94.3Very high4 Ų440.6 Ų40.62%0.02121%0.208CC..Hα-helixtrans-72.8-36174.4-67-173000112.1F310 H311 M322 Y330 V343 A344 S345 K350 Y351F310-L347 HydrophobicContact CD1-CD1 3.85Å; F310-L347 HydrophobicContact CE1-CD1 3.88Å; H311-L347 HydrophobicContact CB-CD2 4.2Å; M322-L347 HydrophobicContact CE-CD1 4.26Å; M322-L347 HydrophobicContact CE-CD2 4.39Å; Y330-L347 WeakPolarHBondContact OH-CD1 3.17Å; V343-L347 HydrophobicContact CG1-CD1 4.31Å; V343-L347 HydrophobicContact CG1-CG 4.44Å; V343-L347 WeakPolarHBondContact O-CG 3.38Å; V343-L347 PolarHBondContact O-N 3.31Å; A344-L347 PolarHBondContact O-N 3.1Å; S345-L347 PolarHBondContact O-N 3.13Å; L347-K350 PolarHBondContact O-N 2.83Å; L347-Y351 WeakPolarHBondContact O-CA 3.48Å; L347-Y351 WeakPolarHBondContact O-CB 3.41Å; L347-Y351 PolarHBondContact O-N 3.02Å
348L95.4Very high94.6Very high50 Ų5040 Ų4026%0.26220%0.204SC..Hα-helixtrans-72.3-36.5177.9-171.266.2000112.6A344 S345 K350 Y351 P352A344-L348 VanDerWaalsContact O-CB 3.26Å; A344-L348 WeakPolarHBondContact O-CB 3.45Å; A344-L348 PolarHBondContact O-N 2.79Å; S345-L348 PolarHBondContact O-N 3.44Å; L348-K350 VanDerWaalsContact C-N 3.27Å; L348-K350 PolarHBondContact O-N 3.44Å; L348-Y351 CarbonylContact O-C 3.52Å; L348-P352 WeakPolarHBondContact O-CA 3.46Å
349E96.3Very high94.7Very high129 Ų12936.8 Ų36.860%0.60318%0.181SC*.Hα-helixtrans-57.8-39.5170.7-79.3175.1167.800111.8S345 R346S345-E349 WeakPolarHBondContact O-CB 3.33Å; S345-E349 VanDerWaalsContact O-CG 3.29Å; S345-E349 WeakPolarHBondContact O-CG 3.4Å; S345-E349 PolarHBondContact O-N 2.97Å; R346-E349 WeakPolarHBondContact CD-OE2 3.39Å; R346-E349 IonicContact CZ-OE2 2.88Å; R346-E349 IonicContact NE-OE2 3.48Å; R346-E349 IonicContact NH1-OE1 3.32Å; R346-E349 PolarHBondContact NH1-OE1 2.85Å; R346-E349 IonicContact NH1-OE2 2.71Å; R346-E349 PolarHBondContact NH1-OE2 2.87Å
350K97.1Very high94.7Very high112 Ų11235.6 Ų35.649%0.48718%0.179SC..Hα-helixtrans-88.3-32.7-176.5-167.6174178.2179.40113.2H311 R346 L347 L348H311-K350 PolarHBondContact CE1-NZ 3.31Å; H311-K350 PolarHBondContact ND1-NZ 2.93Å; H311-K350 VanDerWaalsContact ND1-NZ 3.1Å; H311-K350 PolarHBondContact NE2-NZ 2.89Å; R346-K350 WeakPolarHBondContact O-CB 3.16Å; R346-K350 PolarHBondContact O-N 2.66Å; L347-K350 PolarHBondContact O-N 2.83Å; L348-K350 VanDerWaalsContact C-N 3.27Å; L348-K350 PolarHBondContact O-N 3.44Å
351Y96.3Very high94.4Very high23 Ų2336.8 Ų36.89%0.0919%0.188CC..  trans-133.179.8-177.2-56.1-72.8000110.7H311 M322 E323 L347 L348 Q353 A354H311-Y351 AromaticContact CD2-CE2 3.65Å; H311-Y351 AromaticContact NE2-CE2 3.5Å; H311-Y351 AromaticContact NE2-CZ 3.62Å; H311-Y351 PolarHBondContact NE2-OH 2.79Å; M322-Y351 HydrophobicContact CB-CD1 3.84Å; M322-Y351 HydrophobicContact CB-CD2 3.76Å; M322-Y351 HydrophobicContact CB-CE1 3.52Å; M322-Y351 HydrophobicContact CB-CE2 3.43Å; M322-Y351 VanDerWaalsContact CB-CE2 3.43Å; M322-Y351 HydrophobicContact CB-CG 3.95Å; M322-Y351 HydrophobicContact CE-CD2 3.91Å; M322-Y351 HydrophobicContact CE-CE2 4.33Å; M322-Y351 HydrophobicContact CE-CG 4.48Å; M322-Y351 HydrophobicContact CG-CD2 4.34Å; M322-Y351 HydrophobicContact CG-CE2 3.88Å; E323-Y351 HydrophobicContact CG-CE1 4.36Å; E323-Y351 WeakPolarHBondContact OE1-CE1 3.11Å; L347-Y351 WeakPolarHBondContact O-CA 3.48Å; L347-Y351 WeakPolarHBondContact O-CB 3.41Å; L347-Y351 PolarHBondContact O-N 3.02Å; L348-Y351 CarbonylContact O-C 3.52Å; Y351-Q353 PolarHBondContact O-N 3.15Å; Y351-A354 WeakPolarHBondContact O-CB 3.46Å; Y351-A354 PolarHBondContact O-N 2.99Å
352P93.4Very high94.3Very high74 Ų7434.9 Ų34.948%0.48118%0.181SC..THydrogen-bonded Turntrans-63.2-8-174.5-25.836.4000115.9L348 Q597L348-P352 WeakPolarHBondContact O-CA 3.46Å; P352-Q597 PolarHBondContact O-NE2 2.98Å
353Q92.7Very high94.2Very high47 Ų4733.2 Ų33.222%0.2217%0.171CC..THydrogen-bonded Turntrans-90.4-12.3172.9-65.4-70.410.400113.3R326 Y351 I355 M627R326-Q353 CarbonylContact C-O 3.49Å; R326-Q353 WeakPolarHBondContact CA-O 3.38Å; Y351-Q353 PolarHBondContact O-N 3.15Å; Q353-I355 VanDerWaalsContact C-N 3.33Å; Q353-I355 PolarHBondContact O-N 2.99Å; Q353-M627 PolarHBondContact NE2-O 3.02Å
354A95.8Very high94.2Very high0 Ų033.2 Ų33.20%017%0.171CC..SBendtrans-81.976.7176.900000110.1C325 Q328 Y351 Y356C325-A354 HydrophobicContact CB-CB 4.13Å; Q328-A354 WeakPolarHBondContact CG-O 3.46Å; Q328-A354 PolarHBondContact NE2-O 3.2Å; Y351-A354 WeakPolarHBondContact O-CB 3.46Å; Y351-A354 PolarHBondContact O-N 2.99Å; A354-Y356 PolarHBondContact O-N 3.12Å
355I95.3Very high94.2Very high1 Ų133.1 Ų33.11%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-60.9120.3-171-62.2177.9000111.3R326 G327 Q328 Q353 T357 Q597 H598 A601 M627 Y628R326-I355 PolarHBondContact O-N 2.91Å; G327-I355 CarbonylContact C-O 3.47Å; G327-I355 VanDerWaalsContact CA-O 3.27Å; G327-I355 WeakPolarHBondContact CA-O 3.28Å; Q328-I355 PolarHBondContact N-O 2.88Å; Q353-I355 VanDerWaalsContact C-N 3.33Å; Q353-I355 PolarHBondContact O-N 2.99Å; I355-T357 PolarHBondContact O-N 2.86Å; I355-Q597 HydrophobicContact CD1-CB 4.44Å; I355-Q597 HydrophobicContact CG1-CB 4.5Å; I355-H598 HydrophobicContact CG2-CB 3.62Å; I355-A601 HydrophobicContact CD1-CB 3.88Å; I355-M627 HydrophobicContact CD1-CE 3.93Å; I355-Y628 WeakPolarHBondContact CD1-OH 3.16Å
356Y95.6Very high94.1Very high20 Ų2030.6 Ų30.68%0.07815%0.152CC..EExtended strand (participates in β ladder)trans-69.5126.7168.7179.1-125.9000110.4Q328 Y330 A344 A354 W367 I593Q328-Y356 HydrophobicContact CG-CD2 4.32Å; Q328-Y356 WeakPolarHBondContact O-CA 3.23Å; Y330-Y356 HydrophobicContact CD2-CD2 4.21Å; Y330-Y356 AromaticContact CD2-CE2 3.79Å; Y330-Y356 HydrophobicContact CD2-CE2 3.79Å; Y330-Y356 HydrophobicContact CE2-CD2 4.5Å; A344-Y356 HydrophobicContact CB-CD2 3.87Å; A344-Y356 HydrophobicContact CB-CE2 4.05Å; A344-Y356 HydrophobicContact CB-CG 4.11Å; A354-Y356 PolarHBondContact O-N 3.12Å; Y356-W367 WeakPolarHBondContact OH-CZ2 3.3Å; Y356-I593 HydrophobicContact CE1-CG1 4.23Å
357T94.1Very high93.9Very high2 Ų226.1 Ų26.11%0.01214%0.135CC..  trans-156.6171.1-175.8-174.90000112Q328 A329 I355 H598 P688Q328-T357 PolarHBondContact O-N 2.94Å; A329-T357 WeakPolarHBondContact CA-O 3.44Å; A329-T357 WeakPolarHBondContact CB-O 3.34Å; I355-T357 PolarHBondContact O-N 2.86Å; T357-H598 PolarHBondContact OG1-CE1 2.84Å; T357-H598 PolarHBondContact OG1-NE2 3.34Å; T357-P688 HydrophobicContact CG2-CB 3.99Å; T357-P688 HydrophobicContact CG2-CG 3.95Å
358L92.6Very high93.8Very high0 Ų025.9 Ų25.90%013%0.134CC..  trans-73.7159.3172.872.797.4000111.3L364 L500 Q501 I593 F594 P688 V689L358-L364 HydrophobicContact CD2-CD1 4.25Å; L358-L500 HydrophobicContact CD2-CD1 4.22Å; L358-Q501 HydrophobicContact CD1-CG 4.17Å; L358-I593 HydrophobicContact CB-CG2 4.31Å; L358-F594 HydrophobicContact CD2-CE1 4.37Å; L358-F594 HydrophobicContact CD2-CE2 4.3Å; L358-F594 HydrophobicContact CD2-CZ 3.58Å; L358-P688 CarbonylContact O-C 3.47Å; L358-P688 VanDerWaalsContact O-C 3.24Å; L358-V689 HydrophobicContact CD1-CB 4.36Å; L358-V689 HydrophobicContact CD1-CG2 3.99Å; L358-V689 HydrophobicContact CD2-CG2 4.31Å; L358-V689 HydrophobicContact CG-CB 4.26Å; L358-V689 HydrophobicContact CG-CG2 4.03Å; L358-V689 VanDerWaalsContact O-CA 3.31Å; L358-V689 WeakPolarHBondContact O-CA 3.47Å; L358-V689 PolarHBondContact O-N 3.48Å
359C91.6Very high93.8Very high0 Ų023.5 Ų23.50%012%0.122CC..  trans-102.4138.2174.8-172.10000112.5I263 A329 I331 S361 C362 Q501 P688I263-C359 HydrophobicContact CG2-CB 4.14Å; A329-C359 HydrophobicContact CB-CB 4.07Å; I331-C359 HydrophobicContact CD1-CB 3.47Å; I331-C359 VanDerWaalsContact CD1-CB 3.47Å; I331-C359 HydrophobicContact CG1-CB 3.85Å; C359-S361 PolarHBondContact O-N 2.94Å; C359-S361 VanDerWaalsContact O-N 3.13Å; C359-S361 PolarHBondContact SG-OG 3.06Å; C359-C362 PolarHBondContact O-N 2.87Å; C359-C362 VanDerWaalsContact O-O 3.1Å; C359-Q501 PolarHBondContact O-NE2 3.06Å; C359-P688 CarbonylContact C-O 3.48Å; C359-P688 WeakPolarHBondContact CA-O 3.26Å; C359-P688 HydrophobicContact CB-CB 4.42Å
360S90.7Very high93.6Very high25 Ų2518.7 Ų18.718%0.17510%0.099CC..THydrogen-bonded Turntrans-57-24.5176.269.50000114.7R281 C362 P688 M690R281-S360 PolarHBondContact NH2-OG 3.48Å; S360-C362 VanDerWaalsContact C-N 3.34Å; S360-P688 PolarHBondContact N-O 3Å; S360-M690 WeakPolarHBondContact CB-O 3.31Å; S360-M690 PolarHBondContact OG-O 3.07Å
361S87.1Confident93.4Very high26 Ų2613.6 Ų13.618%0.1828%0.077CC..THydrogen-bonded Turntrans-88.36.3-177.560.20000114.5C359 E698 R701C359-S361 PolarHBondContact O-N 2.94Å; C359-S361 VanDerWaalsContact O-N 3.13Å; C359-S361 PolarHBondContact SG-OG 3.06Å; S361-E698 WeakPolarHBondContact CB-OE1 3.39Å; S361-R701 PolarHBondContact OG-NE 2.73Å; S361-R701 VanDerWaalsContact OG-NE 3.08Å
362C90.7Very high93.3Very high12 Ų1212.6 Ų12.68%0.0817%0.074CC..SBendtrans-137.2120.6170.9-173.50000109.7I331 C359 S360 L364 Q501I331-C362 HydrophobicContact CD1-CB 4.06Å; I331-C362 HydrophobicContact CG2-CB 3.64Å; C359-C362 PolarHBondContact O-N 2.87Å; C359-C362 VanDerWaalsContact O-O 3.1Å; S360-C362 VanDerWaalsContact C-N 3.34Å; C362-L364 PolarHBondContact O-N 2.79Å; C362-Q501 PolarHBondContact O-NE2 2.66Å
363A93.1Very high93.2Very high8 Ų813.2 Ų13.27%0.0668%0.078CC..  trans-56.5135.4179.100000111N365 T366 W367 G429A363-N365 PolarHBondContact O-N 2.84Å; A363-T366 WeakPolarHBondContact O-CA 3.44Å; A363-T366 WeakPolarHBondContact O-CB 3.23Å; A363-T366 PolarHBondContact O-N 2.92Å; A363-W367 PolarHBondContact O-N 3.32Å; A363-G429 WeakPolarHBondContact CB-O 3.34Å
364L94.9Very high93.1Very high0 Ų011.9 Ų11.90%07%0.073CC..Hα-helixtrans-46.3-40.3-177.8175.562.7000113.3L358 C362 W367 L368 F496 L500 L590L358-L364 HydrophobicContact CD2-CD1 4.25Å; C362-L364 PolarHBondContact O-N 2.79Å; L364-W367 PolarHBondContact O-N 3.29Å; L364-L368 HydrophobicContact CD1-CD1 3.89Å; L364-L368 HydrophobicContact CD1-CG 3.91Å; L364-L368 HydrophobicContact CD2-CD1 4.46Å; L364-L368 HydrophobicContact CG-CD1 3.82Å; L364-L368 HydrophobicContact CG-CG 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.24Å; L364-L368 VanDerWaalsContact O-CG 3.27Å; L364-L368 WeakPolarHBondContact O-CG 3.02Å; L364-L368 PolarHBondContact O-N 2.97Å; L364-F496 HydrophobicContact CD2-CD1 3.53Å; L364-F496 HydrophobicContact CD2-CE1 3.75Å; L364-L500 HydrophobicContact CD2-CD1 4.16Å; L364-L590 HydrophobicContact CD1-CD2 4.46Å; L364-L590 HydrophobicContact CD2-CD2 4.49Å
365N95.3Very high92.8Very high2 Ų218.2 Ų18.21%0.01110%0.104CC..Hα-helixtrans-70.2-38.4-179-69.77.7000112.5A363 A369 H431 L490 T493 R494A363-N365 PolarHBondContact O-N 2.84Å; N365-A369 WeakPolarHBondContact O-CB 3.14Å; N365-A369 PolarHBondContact O-N 2.87Å; N365-H431 PolarHBondContact ND2-O 2.97Å; N365-L490 HydrophobicContact CB-CB 4.12Å; N365-L490 HydrophobicContact CB-CD1 4.29Å; N365-L490 HydrophobicContact CB-CD2 4.42Å; N365-L490 PolarHBondContact ND2-O 3.37Å; N365-L490 WeakPolarHBondContact O-CD1 3.25Å; N365-T493 WeakPolarHBondContact OD1-CB 3.24Å; N365-T493 PolarHBondContact OD1-OG1 3.11Å; N365-R494 WeakPolarHBondContact ND2-CA 3.28Å
366T93.4Very high92.6Very high9 Ų919.7 Ų19.76%0.05512%0.119CC..Hα-helixtrans-66.3-41.5172.4-48.70000110.5A363 K370 T428A363-T366 WeakPolarHBondContact O-CA 3.44Å; A363-T366 WeakPolarHBondContact O-CB 3.23Å; A363-T366 PolarHBondContact O-N 2.92Å; T366-K370 WeakPolarHBondContact O-CB 3.23Å; T366-K370 VanDerWaalsContact O-CG 3.3Å; T366-K370 WeakPolarHBondContact O-CG 3.31Å; T366-K370 PolarHBondContact O-N 3.43Å; T366-T428 PolarHBondContact OG1-O 3.07Å; T366-T428 VanDerWaalsContact OG1-O 3.14Å
367W93.6Very high92.5Very high4 Ų418.7 Ų18.72%0.01512%0.115CC..Hα-helixtrans-62.5-48.6176.5-169.798.1000111.7Y330 Y356 A363 L364 A369 K370 S371 E589 I593Y330-W367 PolarHBondContact O-NE1 3.35Å; Y356-W367 WeakPolarHBondContact OH-CZ2 3.3Å; A363-W367 PolarHBondContact O-N 3.32Å; L364-W367 PolarHBondContact O-N 3.29Å; W367-A369 PolarHBondContact O-N 3.39Å; W367-K370 WeakPolarHBondContact O-CB 3.24Å; W367-K370 PolarHBondContact O-N 2.91Å; W367-S371 PolarHBondContact O-N 3.18Å; W367-S371 VanDerWaalsContact O-N 3.13Å; W367-E589 HydrophobicContact CH2-CG 4.4Å; W367-E589 HydrophobicContact CZ3-CB 4.17Å; W367-E589 HydrophobicContact CZ3-CG 4.08Å; W367-I593 HydrophobicContact CE3-CD1 3.78Å; W367-I593 HydrophobicContact CH2-CD1 3.68Å; W367-I593 HydrophobicContact CH2-CG1 4.17Å; W367-I593 HydrophobicContact CZ2-CD1 4.42Å; W367-I593 HydrophobicContact CZ3-CD1 3.33Å; W367-I593 HydrophobicContact CZ3-CG1 4.29Å
368L95.1Very high92.4Very high0 Ų020.3 Ų20.30%013%0.126CC..Hα-helixtrans-58.9-50.2178.1-76.5169.4000110.7L364 K370 S371 V372 L490 T493 I586 E589 L590L364-L368 HydrophobicContact CD1-CD1 3.89Å; L364-L368 HydrophobicContact CD1-CG 3.91Å; L364-L368 HydrophobicContact CD2-CD1 4.46Å; L364-L368 HydrophobicContact CG-CD1 3.82Å; L364-L368 HydrophobicContact CG-CG 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.24Å; L364-L368 VanDerWaalsContact O-CG 3.27Å; L364-L368 WeakPolarHBondContact O-CG 3.02Å; L364-L368 PolarHBondContact O-N 2.97Å; L368-K370 VanDerWaalsContact C-N 3.31Å; L368-K370 PolarHBondContact O-N 3.09Å; L368-S371 PolarHBondContact O-N 3.32Å; L368-S371 VanDerWaalsContact O-N 3.13Å; L368-S371 PolarHBondContact O-OG 3.14Å; L368-V372 WeakPolarHBondContact O-CG2 3.31Å; L368-V372 PolarHBondContact O-N 2.71Å; L368-L490 HydrophobicContact CB-CD2 3.81Å; L368-L490 HydrophobicContact CD1-CD2 3.9Å; L368-T493 HydrophobicContact CD1-CG2 3.94Å; L368-I586 HydrophobicContact CB-CG1 4.39Å; L368-I586 HydrophobicContact CD1-CG2 4.21Å; L368-I586 HydrophobicContact CD2-CG2 4.39Å; L368-E589 HydrophobicContact CD2-CB 3.98Å; L368-L590 HydrophobicContact CD1-CD2 4.28Å; L368-L590 HydrophobicContact CD1-CG 4.5Å; L368-L590 HydrophobicContact CD2-CD2 4.39Å; L368-L590 HydrophobicContact CD2-CG 4.25Å
369A95.1Very high92.4Very high0 Ų024.3 Ų24.30%015%0.151CC..Hα-helixtrans-56.7-43176.300000112.5N365 W367 S371 V372 V377 L381 F434 L486 L490N365-A369 WeakPolarHBondContact O-CB 3.14Å; N365-A369 PolarHBondContact O-N 2.87Å; W367-A369 PolarHBondContact O-N 3.39Å; A369-S371 VanDerWaalsContact C-N 3.27Å; A369-S371 PolarHBondContact O-N 3.05Å; A369-V372 PolarHBondContact O-N 3.09Å; A369-V377 VanDerWaalsContact O-CG1 3.3Å; A369-V377 WeakPolarHBondContact O-CG1 3.36Å; A369-L381 HydrophobicContact CB-CD1 4.23Å; A369-L381 HydrophobicContact CB-CD2 4.14Å; A369-F434 HydrophobicContact CB-CE2 3.94Å; A369-F434 HydrophobicContact CB-CZ 3.58Å; A369-L486 HydrophobicContact CB-CD2 4.1Å; A369-L490 HydrophobicContact CB-CD1 4.07Å
370K92.8Very high92.6Very high27 Ų2724.4 Ų24.412%0.11715%0.151CC..Hα-helixtrans-60.6-32.4178-83.5-175.9163.3-151.70114D266 S333 S334 T366 W367 L368 L381D266-K370 IonicContact OD1-NZ 3.77Å; D266-K370 PolarHBondContact OD1-NZ 2.84Å; D266-K370 IonicContact OD2-NZ 2.67Å; D266-K370 PolarHBondContact OD2-NZ 2.69Å; S333-K370 CarbonylContact C-O 3.57Å; S333-K370 VanDerWaalsContact OG-CD 3.28Å; S333-K370 WeakPolarHBondContact OG-CD 3.45Å; S333-K370 WeakPolarHBondContact OG-CE 3.47Å; S333-K370 WeakPolarHBondContact OG-CG 3.15Å; S333-K370 PolarHBondContact OG-NZ 3.2Å; S334-K370 PolarHBondContact N-O 3.45Å; T366-K370 WeakPolarHBondContact O-CB 3.23Å; T366-K370 VanDerWaalsContact O-CG 3.3Å; T366-K370 WeakPolarHBondContact O-CG 3.31Å; T366-K370 PolarHBondContact O-N 3.43Å; W367-K370 WeakPolarHBondContact O-CB 3.24Å; W367-K370 PolarHBondContact O-N 2.91Å; L368-K370 VanDerWaalsContact C-N 3.31Å; L368-K370 PolarHBondContact O-N 3.09Å; K370-L381 HydrophobicContact CG-CD1 4.18Å
371S93.3Very high92.7Very high5 Ų524.3 Ų24.34%0.03515%0.149CC..Hα-helixtrans-80.2-20.1-17972.50000114.2W367 L368 A369 P373 H585W367-S371 PolarHBondContact O-N 3.18Å; W367-S371 VanDerWaalsContact O-N 3.13Å; L368-S371 PolarHBondContact O-N 3.32Å; L368-S371 VanDerWaalsContact O-N 3.13Å; L368-S371 PolarHBondContact O-OG 3.14Å; A369-S371 VanDerWaalsContact C-N 3.27Å; A369-S371 PolarHBondContact O-N 3.05Å; S371-P373 WeakPolarHBondContact O-CD 3.24Å; S371-H585 VanDerWaalsContact C-NE2 3.29Å; S371-H585 PolarHBondContact O-CE1 2.8Å; S371-H585 VanDerWaalsContact O-CE1 3.29Å; S371-H585 PolarHBondContact O-NE2 3.08Å; S371-H585 VanDerWaalsContact O-NE2 3.11Å; S371-H585 PolarHBondContact OG-NE2 3.04Å
372V93.7Very high93Very high2 Ų224.8 Ų24.81%0.01216%0.158CC..  trans-63.6120.9-175.7174.40000110.6L368 A369 V374 V377 T582 I586L368-V372 WeakPolarHBondContact O-CG2 3.31Å; L368-V372 PolarHBondContact O-N 2.71Å; A369-V372 PolarHBondContact O-N 3.09Å; V372-V374 HydrophobicContact CG1-CB 3.81Å; V372-V374 HydrophobicContact CG1-CG2 3.63Å; V372-V374 PolarHBondContact O-N 3.32Å; V372-V377 HydrophobicContact CB-CG1 4.15Å; V372-V377 HydrophobicContact CG1-CB 4.33Å; V372-V377 HydrophobicContact CG1-CG1 4.47Å; V372-V377 HydrophobicContact CG1-CG2 4.06Å; V372-T582 HydrophobicContact CG1-CG2 4.5Å; V372-T582 HydrophobicContact CG2-CG2 4.32Å; V372-I586 HydrophobicContact CG2-CD1 4.32Å; V372-I586 HydrophobicContact CG2-CG1 4.1Å
373P90.6Very high93.2Very high88 Ų8824.9 Ų24.957%0.57116%0.158SC*.  trans-78.222.5-174.833-37.3000114S371 H585S371-P373 WeakPolarHBondContact O-CD 3.24Å; P373-H585 VanDerWaalsContact CD-ND1 3.33Å; P373-H585 WeakPolarHBondContact CD-ND1 3.43Å
374V91.3Very high93.2Very high18 Ų1825 Ų2511%0.10916%0.157CC..  trans-92.3120.4179.7178.40000109.3V372 G376 V377 S378 L578 P581V372-V374 HydrophobicContact CG1-CB 3.81Å; V372-V374 HydrophobicContact CG1-CG2 3.63Å; V372-V374 PolarHBondContact O-N 3.32Å; V374-G376 PolarHBondContact O-N 3.3Å; V374-V377 HydrophobicContact CB-CB 4.37Å; V374-V377 HydrophobicContact CB-CG2 4.08Å; V374-V377 HydrophobicContact CG1-CG2 4.32Å; V374-V377 WeakPolarHBondContact O-CB 3.22Å; V374-V377 PolarHBondContact O-N 2.87Å; V374-S378 PolarHBondContact O-N 2.91Å; V374-S378 VanDerWaalsContact O-N 3.1Å; V374-L578 HydrophobicContact CG1-CD1 4.14Å; V374-P581 HydrophobicContact CG2-CB 4Å; V374-P581 HydrophobicContact CG2-CG 3.96Å
375M89Confident93.1Very high134 Ų13428.7 Ų28.766%0.6618%0.175SC*.Hα-helixtrans-56.7-35.8-177.3-175.358.163.600113.1S378 V379M375-S378 PolarHBondContact O-N 3Å; M375-V379 HydrophobicContact CG-CG2 4.43Å; M375-V379 WeakPolarHBondContact O-CG2 3.33Å; M375-V379 PolarHBondContact O-N 3.49Å; M375-V379 HydrophobicContact SD-CG2 4.24Å
376G90.6Very high92.9Very high31 Ų3132.4 Ų32.432%0.3219%0.192SC..Hα-helixtrans-60.1-44.5174.900000112.8V374 V379 A380V374-G376 PolarHBondContact O-N 3.3Å; G376-V379 PolarHBondContact O-N 3.5Å; G376-A380 WeakPolarHBondContact O-CB 3.5Å; G376-A380 PolarHBondContact O-N 2.92Å
377V94.6Very high93Very high0 Ų032.2 Ų32.20%019%0.19CC..Hα-helixtrans-62-46174.9174.50000110.8A369 V372 V374 V379 A380 L381 T482 L486 L578A369-V377 VanDerWaalsContact O-CG1 3.3Å; A369-V377 WeakPolarHBondContact O-CG1 3.36Å; V372-V377 HydrophobicContact CB-CG1 4.15Å; V372-V377 HydrophobicContact CG1-CB 4.33Å; V372-V377 HydrophobicContact CG1-CG1 4.47Å; V372-V377 HydrophobicContact CG1-CG2 4.06Å; V374-V377 HydrophobicContact CB-CB 4.37Å; V374-V377 HydrophobicContact CB-CG2 4.08Å; V374-V377 HydrophobicContact CG1-CG2 4.32Å; V374-V377 WeakPolarHBondContact O-CB 3.22Å; V374-V377 PolarHBondContact O-N 2.87Å; V377-V379 VanDerWaalsContact C-N 3.35Å; V377-V379 PolarHBondContact O-N 3.03Å; V377-A380 PolarHBondContact O-N 3Å; V377-L381 HydrophobicContact CG1-CD1 3.92Å; V377-L381 HydrophobicContact CG1-CG 4.34Å; V377-L381 WeakPolarHBondContact O-CB 3.38Å; V377-L381 VanDerWaalsContact O-CG 3.29Å; V377-L381 WeakPolarHBondContact O-CG 3.11Å; V377-L381 PolarHBondContact O-N 3.27Å; V377-T482 HydrophobicContact CB-CG2 4.39Å; V377-T482 HydrophobicContact CG2-CG2 3.9Å; V377-L486 HydrophobicContact CG1-CD1 4.04Å; V377-L486 HydrophobicContact CG1-CD2 4.1Å; V377-L486 HydrophobicContact CG2-CD1 4.3Å; V377-L486 HydrophobicContact CG2-CD2 4.15Å; V377-L486 HydrophobicContact CG2-CG 4.41Å; V377-L578 HydrophobicContact CG2-CD1 3.97Å
378S92.1Very high92.9Very high35 Ų3532.3 Ų32.325%0.24519%0.192CC..Hα-helixtrans-60.4-41.2177.3-172.30000113.1S334 V374 M375 G382S334-S378 WeakPolarHBondContact CB-OG 3.21Å; V374-S378 PolarHBondContact O-N 2.91Å; V374-S378 VanDerWaalsContact O-N 3.1Å; M375-S378 PolarHBondContact O-N 3Å; S378-G382 PolarHBondContact O-N 3.09Å
379V92.4Very high92.7Very high85 Ų8534.8 Ų34.852%0.51521%0.209SC..Hα-helixtrans-68.1-46.2176.9170.40000110.5M375 G376 V377 L381 G382 T383M375-V379 HydrophobicContact CG-CG2 4.43Å; M375-V379 WeakPolarHBondContact O-CG2 3.33Å; M375-V379 PolarHBondContact O-N 3.49Å; M375-V379 HydrophobicContact SD-CG2 4.24Å; G376-V379 PolarHBondContact O-N 3.5Å; V377-V379 VanDerWaalsContact C-N 3.35Å; V377-V379 PolarHBondContact O-N 3.03Å; V379-L381 PolarHBondContact O-N 3.48Å; V379-G382 PolarHBondContact O-N 2.85Å; V379-G382 VanDerWaalsContact O-N 3.15Å; V379-T383 PolarHBondContact O-N 3.3Å; V379-T383 PolarHBondContact O-OG1 3.34Å
380A94.9Very high92.5Very high1 Ų134.9 Ų34.91%0.00821%0.21CC..Hα-helixtrans-60.5-43.4179.200000112.3G376 V377 G382 T383 I384 F479 T482 I483G376-A380 WeakPolarHBondContact O-CB 3.5Å; G376-A380 PolarHBondContact O-N 2.92Å; V377-A380 PolarHBondContact O-N 3Å; A380-G382 VanDerWaalsContact C-N 3.34Å; A380-G382 PolarHBondContact O-N 3.12Å; A380-T383 PolarHBondContact O-N 3.3Å; A380-I384 WeakPolarHBondContact O-CB 3.46Å; A380-I384 WeakPolarHBondContact O-CD1 3.47Å; A380-I384 WeakPolarHBondContact O-CG1 3.45Å; A380-I384 PolarHBondContact O-N 3.17Å; A380-F479 HydrophobicContact CB-CD2 3.82Å; A380-F479 HydrophobicContact CB-CE2 4.02Å; A380-T482 HydrophobicContact CB-CG2 3.64Å; A380-I483 HydrophobicContact CB-CG2 4.37Å
381L93.8Very high92.5Very high24 Ų2433.9 Ų33.913%0.12621%0.205CC..Hα-helixtrans-59.5-43.2174-71.5171.8000112.2A369 K370 V377 V379 I384 E385 F434A369-L381 HydrophobicContact CB-CD1 4.23Å; A369-L381 HydrophobicContact CB-CD2 4.14Å; K370-L381 HydrophobicContact CG-CD1 4.18Å; V377-L381 HydrophobicContact CG1-CD1 3.92Å; V377-L381 HydrophobicContact CG1-CG 4.34Å; V377-L381 WeakPolarHBondContact O-CB 3.38Å; V377-L381 VanDerWaalsContact O-CG 3.29Å; V377-L381 WeakPolarHBondContact O-CG 3.11Å; V377-L381 PolarHBondContact O-N 3.27Å; V379-L381 PolarHBondContact O-N 3.48Å; L381-I384 PolarHBondContact O-N 2.93Å; L381-E385 PolarHBondContact O-N 2.88Å; L381-E385 VanDerWaalsContact O-N 3.11Å; L381-F434 HydrophobicContact CD2-CE1 4.06Å; L381-F434 HydrophobicContact CD2-CZ 3.88Å
382G92.2Very high92.4Very high35 Ų3537.7 Ų37.736%0.36122%0.222SC..Hα-helixtrans-58.7-51.5173.400000112S378 V379 A380 I384 E385 E386S378-G382 PolarHBondContact O-N 3.09Å; V379-G382 PolarHBondContact O-N 2.85Å; V379-G382 VanDerWaalsContact O-N 3.15Å; A380-G382 VanDerWaalsContact C-N 3.34Å; A380-G382 PolarHBondContact O-N 3.12Å; G382-I384 VanDerWaalsContact C-N 3.29Å; G382-I384 PolarHBondContact O-N 3.36Å; G382-E385 PolarHBondContact O-N 3.47Å; G382-E386 WeakPolarHBondContact O-CG 3.5Å; G382-E386 PolarHBondContact O-N 3.47Å
383T95.1Very high92.1Very high14 Ų1444.9 Ų44.99%0.08625%0.249CC..Hα-helixtrans-58.8-38.4177.1-57.80000112.4V379 A380 E386 V387 A473 V474 F479V379-T383 PolarHBondContact O-N 3.3Å; V379-T383 PolarHBondContact O-OG1 3.34Å; A380-T383 PolarHBondContact O-N 3.3Å; T383-E386 PolarHBondContact O-N 3Å; T383-V387 HydrophobicContact CG2-CG2 4.38Å; T383-V387 WeakPolarHBondContact O-CB 3.23Å; T383-V387 VanDerWaalsContact O-CG2 3.26Å; T383-V387 WeakPolarHBondContact O-CG2 3.42Å; T383-V387 PolarHBondContact O-N 2.96Å; T383-A473 HydrophobicContact CG2-CB 3.75Å; T383-V474 HydrophobicContact CG2-CG1 3.84Å; T383-F479 HydrophobicContact CG2-CD2 4.18Å; T383-F479 HydrophobicContact CG2-CE2 3.81Å; T383-F479 HydrophobicContact CG2-CZ 4.39Å
384I94.6Very high92Very high10 Ų1042 Ų425%0.05123%0.231CC..Hα-helixtrans-62.3-47.4177.3-72.6162.4000111.5A380 L381 G382 V387 C388 W427 T428 F434 L437 F479 I483A380-I384 WeakPolarHBondContact O-CB 3.46Å; A380-I384 WeakPolarHBondContact O-CD1 3.47Å; A380-I384 WeakPolarHBondContact O-CG1 3.45Å; A380-I384 PolarHBondContact O-N 3.17Å; L381-I384 PolarHBondContact O-N 2.93Å; G382-I384 VanDerWaalsContact C-N 3.29Å; G382-I384 PolarHBondContact O-N 3.36Å; I384-V387 PolarHBondContact O-N 3.45Å; I384-C388 WeakPolarHBondContact O-CB 3.46Å; I384-C388 PolarHBondContact O-N 3.31Å; I384-W427 HydrophobicContact CG2-CH2 3.89Å; I384-W427 HydrophobicContact CG2-CZ3 4.35Å; I384-T428 HydrophobicContact CG2-CG2 3.48Å; I384-T428 VanDerWaalsContact CG2-CG2 3.48Å; I384-F434 HydrophobicContact CD1-CD1 4.43Å; I384-F434 HydrophobicContact CD1-CE1 4.08Å; I384-L437 HydrophobicContact CD1-CD2 3.36Å; I384-L437 HydrophobicContact CG1-CD2 3.52Å; I384-F479 HydrophobicContact CG1-CE2 4.08Å; I384-F479 HydrophobicContact CG1-CZ 4.07Å; I384-I483 HydrophobicContact CD1-CG2 4.16Å
385E90.8Very high91.9Very high79 Ų7946.3 Ų46.337%0.36926%0.26SS..Hα-helixtrans-68.4-36.5176-73.4-62.715800112.2L381 G382 V387 C388 S389 H426 T428L381-E385 PolarHBondContact O-N 2.88Å; L381-E385 VanDerWaalsContact O-N 3.11Å; G382-E385 PolarHBondContact O-N 3.47Å; E385-V387 PolarHBondContact O-N 3.03Å; E385-C388 PolarHBondContact O-N 3.35Å; E385-S389 WeakPolarHBondContact O-CB 3.44Å; E385-S389 PolarHBondContact O-N 3.37Å; E385-H426 IonicContact OE1-CE1 3.75Å; E385-H426 IonicContact OE2-CE1 3.1Å; E385-T428 WeakPolarHBondContact OE1-CB 3.16Å; E385-T428 PolarHBondContact OE1-OG1 3.43Å
386E92.4Very high92.1Very high80 Ų8045.5 Ų45.537%0.37425%0.254SS..Hα-helixtrans-64.8-37.7174.4-71.1-161.8138.200112.8G382 T383 F390 R466 L470G382-E386 WeakPolarHBondContact O-CG 3.5Å; G382-E386 PolarHBondContact O-N 3.47Å; T383-E386 PolarHBondContact O-N 3Å; E386-F390 VanDerWaalsContact O-CB 3.31Å; E386-F390 WeakPolarHBondContact O-CB 3.4Å; E386-F390 PolarHBondContact O-N 3.2Å; E386-R466 IonicContact OE1-CZ 3.25Å; E386-R466 IonicContact OE1-NH1 2.73Å; E386-R466 IonicContact OE1-NH2 2.91Å; E386-R466 PolarHBondContact OE1-NH2 2.82Å; E386-R466 IonicContact OE2-CZ 2.86Å; E386-R466 IonicContact OE2-NH1 2.99Å; E386-R466 IonicContact OE2-NH2 2.81Å; E386-R466 PolarHBondContact OE2-NH2 3.16Å; E386-L470 HydrophobicContact CB-CD2 3.84Å
387V94.4Very high92.2Very high4 Ų444 Ų442%0.02424%0.239CC..Hα-helixtrans-68.5-45.9173.8168.60000110.8T383 I384 E385 S389 F390 F391 L444 L470 V474T383-V387 HydrophobicContact CG2-CG2 4.38Å; T383-V387 WeakPolarHBondContact O-CB 3.23Å; T383-V387 VanDerWaalsContact O-CG2 3.26Å; T383-V387 WeakPolarHBondContact O-CG2 3.42Å; T383-V387 PolarHBondContact O-N 2.96Å; I384-V387 PolarHBondContact O-N 3.45Å; E385-V387 PolarHBondContact O-N 3.03Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 3.25Å; V387-F390 PolarHBondContact O-N 3.34Å; V387-F391 HydrophobicContact CG1-CD2 4.03Å; V387-F391 HydrophobicContact CG1-CE2 3.93Å; V387-F391 WeakPolarHBondContact O-CD2 3.39Å; V387-F391 PolarHBondContact O-N 3.03Å; V387-L444 HydrophobicContact CG1-CD1 4.46Å; V387-L444 HydrophobicContact CG1-CD2 3.97Å; V387-L470 HydrophobicContact CG2-CB 4.31Å; V387-L470 HydrophobicContact CG2-CD1 4.49Å; V387-L470 HydrophobicContact CG2-CD2 4.1Å; V387-V474 HydrophobicContact CG2-CG1 3.89Å
388C92.3Very high92.1Very high6 Ų644.8 Ų44.84%0.04124%0.243CC..Hα-helixtrans-59.1-46.8175.8-168.20000111I384 E385 F390 H392 T428I384-C388 WeakPolarHBondContact O-CB 3.46Å; I384-C388 PolarHBondContact O-N 3.31Å; E385-C388 PolarHBondContact O-N 3.35Å; C388-F390 PolarHBondContact O-N 2.83Å; C388-H392 PolarHBondContact O-N 3.31Å; C388-H392 PolarHBondContact O-ND1 3.34Å; C388-T428 HydrophobicContact CB-CG2 3.77Å
389S89.8Confident92.2Very high52 Ų5247.5 Ų47.536%0.36425%0.254SS..Hα-helixtrans-56.3-48.8173.21770000111.7E385 V387 F391 H392 R393E385-S389 WeakPolarHBondContact O-CB 3.44Å; E385-S389 PolarHBondContact O-N 3.37Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 3.25Å; S389-F391 PolarHBondContact O-N 3.28Å; S389-H392 PolarHBondContact O-N 2.76Å; S389-R393 WeakPolarHBondContact O-CG 3.2Å; S389-R393 PolarHBondContact O-N 3.22Å; S389-R393 VanDerWaalsContact O-N 3.14Å
390F92.8Very high92.3Very high3 Ų345.5 Ų45.51%0.01324%0.239CC..Hα-helixtrans-56-51.4-177.5174.8-96.7000112.4E386 V387 C388 H392 R393 L397 L448 I451 I463 R466 A467 L470E386-F390 VanDerWaalsContact O-CB 3.31Å; E386-F390 WeakPolarHBondContact O-CB 3.4Å; E386-F390 PolarHBondContact O-N 3.2Å; V387-F390 PolarHBondContact O-N 3.34Å; C388-F390 PolarHBondContact O-N 2.83Å; F390-H392 VanDerWaalsContact C-N 3.33Å; F390-H392 PolarHBondContact O-N 2.96Å; F390-R393 WeakPolarHBondContact O-CB 3.42Å; F390-R393 PolarHBondContact O-N 3.3Å; F390-L397 HydrophobicContact CE1-CD1 4.25Å; F390-L397 HydrophobicContact CE1-CD2 4.03Å; F390-L397 HydrophobicContact CE2-CD1 4.5Å; F390-L397 HydrophobicContact CZ-CD1 4.21Å; F390-L397 HydrophobicContact CZ-CD2 3.98Å; F390-L397 VanDerWaalsContact O-CD1 3.28Å; F390-L397 WeakPolarHBondContact O-CD1 3.35Å; F390-L448 HydrophobicContact CD1-CD2 3.85Å; F390-L448 HydrophobicContact CE1-CD2 3.64Å; F390-L448 HydrophobicContact CZ-CD2 4.39Å; F390-I451 HydrophobicContact CE1-CD1 4.15Å; F390-I451 HydrophobicContact CZ-CG2 4.36Å; F390-I463 HydrophobicContact CE2-CG2 4.13Å; F390-I463 HydrophobicContact CZ-CG2 3.97Å; F390-R466 HydrophobicContact CD2-CB 4.45Å; F390-R466 HydrophobicContact CD2-CG 3.96Å; F390-R466 HydrophobicContact CE2-CB 4.26Å; F390-R466 HydrophobicContact CE2-CG 4.26Å; F390-A467 HydrophobicContact CE1-CB 4.48Å; F390-A467 HydrophobicContact CE2-CB 4.42Å; F390-A467 HydrophobicContact CZ-CB 3.85Å; F390-L470 HydrophobicContact CB-CD1 3.5Å; F390-L470 HydrophobicContact CD1-CD1 4.22Å; F390-L470 HydrophobicContact CD2-CD1 3.85Å; F390-L470 HydrophobicContact CG-CD1 3.59Å
391F92.8Very high92.3Very high6 Ų645.7 Ų45.73%0.02624%0.24CC..Hα-helixtrans-64-37.6178.5-75-70.2000112.3V387 S389 R393 L397 L398 L401 L444 C447 L448 I451V387-F391 HydrophobicContact CG1-CD2 4.03Å; V387-F391 HydrophobicContact CG1-CE2 3.93Å; V387-F391 WeakPolarHBondContact O-CD2 3.39Å; V387-F391 PolarHBondContact O-N 3.03Å; S389-F391 PolarHBondContact O-N 3.28Å; F391-R393 PolarHBondContact O-N 3.32Å; F391-L397 HydrophobicContact CD1-CB 3.95Å; F391-L397 WeakPolarHBondContact CD1-O 3.09Å; F391-L398 HydrophobicContact CB-CD2 4.09Å; F391-L398 HydrophobicContact CB-CG 4.25Å; F391-L401 HydrophobicContact CD1-CB 4.07Å; F391-L401 HydrophobicContact CD1-CD2 4.16Å; F391-L401 HydrophobicContact CD2-CD2 4.15Å; F391-L401 HydrophobicContact CE1-CB 3.9Å; F391-L401 HydrophobicContact CE1-CD2 4.27Å; F391-L401 HydrophobicContact CE2-CD2 4.24Å; F391-L401 HydrophobicContact CG-CD2 4.13Å; F391-L401 HydrophobicContact CZ-CB 4.48Å; F391-L401 HydrophobicContact CZ-CD1 4.44Å; F391-L401 HydrophobicContact CZ-CD2 4.31Å; F391-L444 HydrophobicContact CD2-CD2 4.24Å; F391-L444 HydrophobicContact CE2-CD2 3.62Å; F391-L444 HydrophobicContact CZ-CD2 4.32Å; F391-C447 HydrophobicContact CZ-CB 4.28Å; F391-L448 HydrophobicContact CE2-CD2 4.23Å; F391-L448 HydrophobicContact CE2-CG 4.45Å; F391-L448 HydrophobicContact CZ-CD2 4.01Å; F391-L448 HydrophobicContact CZ-CG 4.18Å; F391-I451 HydrophobicContact CE1-CD1 4.32Å
392H89.6Confident92.4Very high84 Ų8445.6 Ų45.639%0.38924%0.24SC..Hα-helixtrans-72-6.4176.9-74.687.5000115C388 S389 F390 S394 C423C388-H392 PolarHBondContact O-N 3.31Å; C388-H392 PolarHBondContact O-ND1 3.34Å; S389-H392 PolarHBondContact O-N 2.76Å; F390-H392 VanDerWaalsContact C-N 3.33Å; F390-H392 PolarHBondContact O-N 2.96Å; H392-S394 VanDerWaalsContact C-N 3.3Å; H392-S394 PolarHBondContact O-N 2.91Å; H392-C423 PolarHBondContact CE1-O 3.39Å
393R88.1Confident92.6Very high153 Ų15347.4 Ų47.458%0.57724%0.241SC*.THydrogen-bonded Turntrans-69.2-24174.9-72.1167.2-166.6-149.2-1.5113.8S389 F390 F391 L397S389-R393 WeakPolarHBondContact O-CG 3.2Å; S389-R393 PolarHBondContact O-N 3.22Å; S389-R393 VanDerWaalsContact O-N 3.14Å; F390-R393 WeakPolarHBondContact O-CB 3.42Å; F390-R393 PolarHBondContact O-N 3.3Å; F391-R393 PolarHBondContact O-N 3.32Å; R393-L397 HydrophobicContact CB-CD1 4.48Å
394S87.6Confident92.6Very high27 Ų2748 Ų4819%0.18924%0.244CC..  trans-154.6132.6179.1176.20000111.3H392 Q396 L397H392-S394 VanDerWaalsContact C-N 3.3Å; H392-S394 PolarHBondContact O-N 2.91Å; S394-Q396 PolarHBondContact O-N 3.05Å; S394-Q396 PolarHBondContact OG-N 2.95Å; S394-L397 WeakPolarHBondContact O-CB 3.34Å; S394-L397 PolarHBondContact O-N 2.82Å
395P90.6Very high92.7Very high110 Ų11047.5 Ų47.571%0.71424%0.242SC*.Hα-helixtrans-54.5-24172.6-26.435.2000114L397 L399P395-L397 VanDerWaalsContact C-N 3.34Å; P395-L399 WeakPolarHBondContact O-CB 3.36Å; P395-L399 PolarHBondContact O-N 2.85Å
396Q91.6Very high92.9Very high116 Ų11646 Ų4654%0.54224%0.24SC..Hα-helixtrans-69.9-28.6176.5-64.4177.1-21.200113.1S394 E400 W459S394-Q396 PolarHBondContact O-N 3.05Å; S394-Q396 PolarHBondContact OG-N 2.95Å; Q396-E400 PolarHBondContact O-N 3.06Å; Q396-W459 HydrophobicContact CB-CH2 4.07Å; Q396-W459 HydrophobicContact CB-CZ3 4.05Å
397L93.1Very high93Very high1 Ų146.7 Ų46.71%0.00525%0.25CC..Hα-helixtrans-76.3-44.2177.3-65.4167.6000110.2F390 F391 R393 S394 P395 L399 E400 L401 I451 W459 I463F390-L397 HydrophobicContact CE1-CD1 4.25Å; F390-L397 HydrophobicContact CE1-CD2 4.03Å; F390-L397 HydrophobicContact CE2-CD1 4.5Å; F390-L397 HydrophobicContact CZ-CD1 4.21Å; F390-L397 HydrophobicContact CZ-CD2 3.98Å; F390-L397 VanDerWaalsContact O-CD1 3.28Å; F390-L397 WeakPolarHBondContact O-CD1 3.35Å; F391-L397 HydrophobicContact CD1-CB 3.95Å; F391-L397 WeakPolarHBondContact CD1-O 3.09Å; R393-L397 HydrophobicContact CB-CD1 4.48Å; S394-L397 WeakPolarHBondContact O-CB 3.34Å; S394-L397 PolarHBondContact O-N 2.82Å; P395-L397 VanDerWaalsContact C-N 3.34Å; L397-L399 VanDerWaalsContact C-N 3.33Å; L397-L399 PolarHBondContact O-N 2.93Å; L397-E400 PolarHBondContact O-N 3.44Å; L397-E400 VanDerWaalsContact O-N 3.14Å; L397-L401 PolarHBondContact O-N 3.31Å; L397-I451 HydrophobicContact CD2-CD1 3.79Å; L397-W459 HydrophobicContact CD2-CE3 4Å; L397-W459 HydrophobicContact CD2-CH2 3.67Å; L397-W459 HydrophobicContact CD2-CZ2 4.24Å; L397-W459 HydrophobicContact CD2-CZ3 3.54Å; L397-W459 HydrophobicContact CG-CH2 4.28Å; L397-W459 HydrophobicContact CG-CZ3 4.05Å; L397-I463 HydrophobicContact CD2-CG2 3.98Å
398L93.4Very high92.9Very high15 Ų1549.2 Ų49.28%0.07926%0.263CS..Hα-helixtrans-58.9-42.3171.1-80.5164.5000111.9F391 E400 L401 D402F391-L398 HydrophobicContact CB-CD2 4.09Å; F391-L398 HydrophobicContact CB-CG 4.25Å; L398-E400 VanDerWaalsContact C-N 3.26Å; L398-E400 PolarHBondContact O-N 3.37Å; L398-L401 PolarHBondContact O-N 2.92Å; L398-D402 PolarHBondContact O-N 3.48Å
399L94.3Very high92.9Very high92 Ų9250.4 Ų50.448%0.48227%0.267SS..Hα-helixtrans-61.8-33.5175.1-177.861.5000112.6P395 L397 D402 N403P395-L399 WeakPolarHBondContact O-CB 3.36Å; P395-L399 PolarHBondContact O-N 2.85Å; L397-L399 VanDerWaalsContact C-N 3.33Å; L397-L399 PolarHBondContact O-N 2.93Å; L399-D402 WeakPolarHBondContact O-CB 3.5Å; L399-D402 PolarHBondContact O-N 2.6Å; L399-N403 PolarHBondContact O-N 2.91Å; L399-N403 PolarHBondContact O-ND2 2.86Å
400E94.4Very high93Very high44 Ų4453.4 Ų53.421%0.20628%0.276CS..Hα-helixtrans-72.5-39.4176.1-158.668164.600112.3Q396 L397 L398 D402 N403 V404 R458 W459Q396-E400 PolarHBondContact O-N 3.06Å; L397-E400 PolarHBondContact O-N 3.44Å; L397-E400 VanDerWaalsContact O-N 3.14Å; L398-E400 VanDerWaalsContact C-N 3.26Å; L398-E400 PolarHBondContact O-N 3.37Å; E400-D402 VanDerWaalsContact C-N 3.33Å; E400-D402 PolarHBondContact O-N 2.73Å; E400-N403 WeakPolarHBondContact O-CB 3.45Å; E400-N403 PolarHBondContact O-N 3.04Å; E400-N403 PolarHBondContact OE2-ND2 2.89Å; E400-V404 WeakPolarHBondContact O-CG2 3.37Å; E400-V404 PolarHBondContact O-N 3.32Å; E400-R458 VanDerWaalsContact CD-NH2 3.32Å; E400-R458 IonicContact OE1-CZ 3.7Å; E400-R458 IonicContact OE1-NH1 2.8Å; E400-R458 PolarHBondContact OE1-NH1 2.87Å; E400-R458 IonicContact OE1-NH2 3.83Å; E400-R458 IonicContact OE2-CZ 3.3Å; E400-R458 VanDerWaalsContact OE2-CZ 3.3Å; E400-R458 IonicContact OE2-NH1 3Å; E400-R458 PolarHBondContact OE2-NH1 3.28Å; E400-R458 IonicContact OE2-NH2 2.71Å; E400-R458 PolarHBondContact OE2-NH2 3.45Å; E400-W459 HydrophobicContact CB-CZ2 4.38Å; E400-W459 HydrophobicContact CG-CZ2 4.42Å
401L95.4Very high92.8Very high4 Ų461.3 Ų61.32%0.02132%0.318CS..Hα-helixtrans-62.1-41.6171.1-175.159000111.3F391 L397 L398 N403 V404 I405 C423 A443 L444 C447F391-L401 HydrophobicContact CD1-CB 4.07Å; F391-L401 HydrophobicContact CD1-CD2 4.16Å; F391-L401 HydrophobicContact CD2-CD2 4.15Å; F391-L401 HydrophobicContact CE1-CB 3.9Å; F391-L401 HydrophobicContact CE1-CD2 4.27Å; F391-L401 HydrophobicContact CE2-CD2 4.24Å; F391-L401 HydrophobicContact CG-CD2 4.13Å; F391-L401 HydrophobicContact CZ-CB 4.48Å; F391-L401 HydrophobicContact CZ-CD1 4.44Å; F391-L401 HydrophobicContact CZ-CD2 4.31Å; L397-L401 PolarHBondContact O-N 3.31Å; L398-L401 PolarHBondContact O-N 2.92Å; L401-N403 VanDerWaalsContact C-N 3.29Å; L401-N403 PolarHBondContact O-N 3.33Å; L401-V404 PolarHBondContact O-N 2.82Å; L401-I405 HydrophobicContact CD1-CD1 4.29Å; L401-I405 HydrophobicContact CD1-CG1 4.41Å; L401-I405 HydrophobicContact CG-CD1 3.93Å; L401-I405 HydrophobicContact CG-CG1 4.48Å; L401-I405 WeakPolarHBondContact O-CB 3.34Å; L401-I405 VanDerWaalsContact O-CG1 3.28Å; L401-I405 WeakPolarHBondContact O-CG1 3.22Å; L401-I405 PolarHBondContact O-N 3.48Å; L401-C423 HydrophobicContact CD2-CB 4.3Å; L401-A443 HydrophobicContact CD1-CB 4.09Å; L401-L444 HydrophobicContact CD1-CD2 4.01Å; L401-L444 HydrophobicContact CD2-CD2 3.97Å; L401-C447 HydrophobicContact CD1-CB 4.09Å
402D95.8Very high92.8Very high22 Ų2263.7 Ų63.712%0.11834%0.335CS..Hα-helixtrans-59.3-38.3173-79.6-9.6000112.3L398 L399 E400 S406 K420 H424L398-D402 PolarHBondContact O-N 3.48Å; L399-D402 WeakPolarHBondContact O-CB 3.5Å; L399-D402 PolarHBondContact O-N 2.6Å; E400-D402 VanDerWaalsContact C-N 3.33Å; E400-D402 PolarHBondContact O-N 2.73Å; D402-S406 WeakPolarHBondContact O-CB 3.49Å; D402-S406 PolarHBondContact O-N 2.77Å; D402-S406 PolarHBondContact O-OG 3.22Å; D402-K420 HydrophobicContact CB-CD 4.03Å; D402-K420 HydrophobicContact CB-CG 4.45Å; D402-K420 WeakPolarHBondContact O-CE 3.42Å; D402-K420 PolarHBondContact O-NZ 3.03Å; D402-K420 VanDerWaalsContact OD1-CB 3.3Å; D402-K420 WeakPolarHBondContact OD1-CB 3.04Å; D402-K420 WeakPolarHBondContact OD1-CD 3.27Å; D402-K420 WeakPolarHBondContact OD1-CG 3.36Å; D402-H424 IonicContact OD1-CD2 3.68Å; D402-H424 IonicContact OD1-NE2 3.34Å; D402-H424 PolarHBondContact OD1-NE2 2.87Å; D402-H424 IonicContact OD2-CD2 2.73Å; D402-H424 IonicContact OD2-CE1 2.6Å; D402-H424 IonicContact OD2-NE2 2.69Å; D402-H424 PolarHBondContact OD2-NE2 2.87Å
403N94.6Very high92.8Very high73 Ų7367.6 Ų67.639%0.3935%0.351SS..Hα-helixtrans-64.9-47.8175.5-70.3-30.5000110.8L399 E400 L401 S406 V407L399-N403 PolarHBondContact O-N 2.91Å; L399-N403 PolarHBondContact O-ND2 2.86Å; E400-N403 WeakPolarHBondContact O-CB 3.45Å; E400-N403 PolarHBondContact O-N 3.04Å; E400-N403 PolarHBondContact OE2-ND2 2.89Å; L401-N403 VanDerWaalsContact C-N 3.29Å; L401-N403 PolarHBondContact O-N 3.33Å; N403-S406 VanDerWaalsContact O-CB 3.28Å; N403-S406 WeakPolarHBondContact O-CB 3.36Å; N403-S406 PolarHBondContact O-N 3.14Å; N403-S406 VanDerWaalsContact O-N 3.14Å; N403-V407 WeakPolarHBondContact O-CG2 3.29Å; N403-V407 PolarHBondContact O-N 3.24Å; N403-V407 VanDerWaalsContact O-N 3.13Å
404V95.9Very high93.1Very high26 Ų2668.7 Ų68.716%0.15836%0.363CS..Hα-helixtrans-64.1-43.1178.2177.50000111.7E400 L401 S406 V407 L408 A443 L446 C447E400-V404 WeakPolarHBondContact O-CG2 3.37Å; E400-V404 PolarHBondContact O-N 3.32Å; L401-V404 PolarHBondContact O-N 2.82Å; V404-S406 VanDerWaalsContact C-N 3.28Å; V404-S406 PolarHBondContact O-N 2.75Å; V404-V407 PolarHBondContact O-N 2.88Å; V404-V407 VanDerWaalsContact O-N 3.08Å; V404-L408 HydrophobicContact CG1-CD1 4.05Å; V404-L408 HydrophobicContact CG1-CG 4.47Å; V404-L408 PolarHBondContact O-N 3.05Å; V404-A443 HydrophobicContact CG1-CB 4.15Å; V404-L446 HydrophobicContact CG1-CB 3.94Å; V404-C447 HydrophobicContact CB-CB 4.42Å; V404-C447 HydrophobicContact CG2-CB 3.99Å
405I95.8Very high93.3Very high0 Ų070.2 Ų70.20%036%0.364CS..Hα-helixtrans-59.3-40.6172.7-67.7168.2000110.4L401 V407 L408 F409 G416 L419 K420 L440 A443L401-I405 HydrophobicContact CD1-CD1 4.29Å; L401-I405 HydrophobicContact CD1-CG1 4.41Å; L401-I405 HydrophobicContact CG-CD1 3.93Å; L401-I405 HydrophobicContact CG-CG1 4.48Å; L401-I405 WeakPolarHBondContact O-CB 3.34Å; L401-I405 VanDerWaalsContact O-CG1 3.28Å; L401-I405 WeakPolarHBondContact O-CG1 3.22Å; L401-I405 PolarHBondContact O-N 3.48Å; I405-V407 PolarHBondContact O-N 3.03Å; I405-L408 PolarHBondContact O-N 2.83Å; I405-F409 HydrophobicContact CG2-CD2 3.91Å; I405-F409 HydrophobicContact CG2-CE2 4.49Å; I405-F409 WeakPolarHBondContact O-CB 3.43Å; I405-F409 WeakPolarHBondContact O-CD2 3.29Å; I405-F409 PolarHBondContact O-N 2.81Å; I405-G416 WeakPolarHBondContact CG2-O 3.14Å; I405-L419 HydrophobicContact CG2-CB 4.4Å; I405-K420 HydrophobicContact CB-CG 4.39Å; I405-K420 HydrophobicContact CD1-CG 4.28Å; I405-K420 HydrophobicContact CG2-CG 3.97Å; I405-L440 HydrophobicContact CD1-CD2 3.79Å; I405-L440 HydrophobicContact CG1-CD2 4.21Å; I405-A443 HydrophobicContact CG1-CB 3.81Å
406S95.1Very high93.4Very high48 Ų4865.2 Ų65.234%0.33633%0.333SS..Hα-helixtrans-60.8-32.3176.2-53.70000113.1D402 N403 V404 Q410 K420D402-S406 WeakPolarHBondContact O-CB 3.49Å; D402-S406 PolarHBondContact O-N 2.77Å; D402-S406 PolarHBondContact O-OG 3.22Å; N403-S406 VanDerWaalsContact O-CB 3.28Å; N403-S406 WeakPolarHBondContact O-CB 3.36Å; N403-S406 PolarHBondContact O-N 3.14Å; N403-S406 VanDerWaalsContact O-N 3.14Å; V404-S406 VanDerWaalsContact C-N 3.28Å; V404-S406 PolarHBondContact O-N 2.75Å; S406-Q410 WeakPolarHBondContact O-CG 3.37Å; S406-K420 WeakPolarHBondContact OG-CE 3.34Å; S406-K420 PolarHBondContact OG-NZ 3.12Å
407V94.7Very high93.4Very high95 Ų9565.3 Ų65.358%0.57633%0.332SS*.Hα-helixtrans-81.6-40.9-179.5173.50000111.7N403 V404 I405 Q410N403-V407 WeakPolarHBondContact O-CG2 3.29Å; N403-V407 PolarHBondContact O-N 3.24Å; N403-V407 VanDerWaalsContact O-N 3.13Å; V404-V407 PolarHBondContact O-N 2.88Å; V404-V407 VanDerWaalsContact O-N 3.08Å; I405-V407 PolarHBondContact O-N 3.03Å; V407-Q410 WeakPolarHBondContact O-CG 3.39Å
408L93.1Very high93.5Very high56 Ų5669.1 Ų69.129%0.29335%0.35SS..Hα-helixtrans-72-38.2178.3-68.4172.7000112.6V404 I405 Q442 A443 L446V404-L408 HydrophobicContact CG1-CD1 4.05Å; V404-L408 HydrophobicContact CG1-CG 4.47Å; V404-L408 PolarHBondContact O-N 3.05Å; I405-L408 PolarHBondContact O-N 2.83Å; L408-Q442 HydrophobicContact CD1-CB 4.25Å; L408-Q442 HydrophobicContact CD1-CG 4Å; L408-Q442 HydrophobicContact CD2-CG 4.17Å; L408-A443 HydrophobicContact CD1-CB 3.74Å; L408-L446 HydrophobicContact CD1-CD1 4.31Å; L408-L446 HydrophobicContact CD2-CD1 4.03Å
409F92.4Very high93.5Very high31 Ų3168.4 Ų68.414%0.13635%0.346CS..THydrogen-bonded Turntrans-100.426.1-175.1-64.2-99.1000113.1I405 N411 S412 K413 R415 L419I405-F409 HydrophobicContact CG2-CD2 3.91Å; I405-F409 HydrophobicContact CG2-CE2 4.49Å; I405-F409 WeakPolarHBondContact O-CB 3.43Å; I405-F409 WeakPolarHBondContact O-CD2 3.29Å; I405-F409 PolarHBondContact O-N 2.81Å; F409-N411 PolarHBondContact O-N 2.87Å; F409-S412 CarbonylContact O-C 3.32Å; F409-S412 VanDerWaalsContact O-C 3.27Å; F409-S412 PolarHBondContact O-N 3.34Å; F409-K413 PolarHBondContact O-N 3.22Å; F409-R415 HydrophobicContact CD1-CG 4.3Å; F409-R415 HydrophobicContact CE1-CG 4.27Å; F409-L419 HydrophobicContact CD1-CD1 4.01Å; F409-L419 HydrophobicContact CD2-CD1 4.33Å; F409-L419 HydrophobicContact CE1-CD1 3.42Å; F409-L419 VanDerWaalsContact CE1-CD1 3.42Å; F409-L419 HydrophobicContact CE2-CD1 3.79Å; F409-L419 HydrophobicContact CG-CD1 4.45Å; F409-L419 HydrophobicContact CZ-CD1 3.31Å
410Q90.8Very high93.4Very high116 Ų11666.3 Ų66.354%0.54233%0.333SS..THydrogen-bonded Turntrans-54.6-35.3177.9-74.4-178.61400113.4S406 V407 S412 K413S406-Q410 WeakPolarHBondContact O-CG 3.37Å; V407-Q410 WeakPolarHBondContact O-CG 3.39Å; Q410-S412 VanDerWaalsContact C-N 3.35Å; Q410-K413 WeakPolarHBondContact O-CE 3.4Å; Q410-K413 WeakPolarHBondContact O-CG 3.18Å
411N90.4Very high93.4Very high169 Ų16969.5 Ų69.590%0.90435%0.348SS*.THydrogen-bonded Turntrans-81.7-12.1-180-64.5-28.7000113.4F409F409-N411 PolarHBondContact O-N 2.87Å
412S92.6Very high93.2Very high55 Ų5569.6 Ų69.639%0.38535%0.348SS..  trans-13949.6-170.5480000110.9F409 Q410 E414 R415 G416F409-S412 CarbonylContact O-C 3.32Å; F409-S412 VanDerWaalsContact O-C 3.27Å; F409-S412 PolarHBondContact O-N 3.34Å; Q410-S412 VanDerWaalsContact C-N 3.35Å; S412-E414 PolarHBondContact O-N 2.87Å; S412-R415 PolarHBondContact O-N 3.43Å; S412-G416 PolarHBondContact O-N 2.78Å
413K89.9Confident92.9Very high167 Ų16768.7 Ų68.773%0.72634%0.344SS*.THydrogen-bonded Turntrans-53.1-28.4-168.9-62.5-177.3-180176.40115.5F409 Q410 G416 K417F409-K413 PolarHBondContact O-N 3.22Å; Q410-K413 WeakPolarHBondContact O-CE 3.4Å; Q410-K413 WeakPolarHBondContact O-CG 3.18Å; K413-G416 CarbonylContact O-C 3.27Å; K413-K417 WeakPolarHBondContact O-CB 3.39Å; K413-K417 PolarHBondContact O-N 2.85Å
414E93.1Very high92.6Very high175 Ų17569.9 Ų69.982%0.81835%0.347SS*.THydrogen-bonded Turntrans-70.7-50.1176.4-63.9-177.3159.400111.2S412 G416 K417 E418S412-E414 PolarHBondContact O-N 2.87Å; E414-G416 VanDerWaalsContact C-N 3.29Å; E414-G416 PolarHBondContact O-N 3.41Å; E414-K417 WeakPolarHBondContact O-CB 3.48Å; E414-K417 PolarHBondContact O-N 3.36Å; E414-E418 PolarHBondContact O-N 3.23Å
415R92.3Very high92Very high59 Ų5970.8 Ų70.822%0.22335%0.354CS..Hα-helixtrans-61.4-39.2171.1-174.256.7168.6-176.4-1.5111.4F409 S412 K417 E418 L419 E439F409-R415 HydrophobicContact CD1-CG 4.3Å; F409-R415 HydrophobicContact CE1-CG 4.27Å; S412-R415 PolarHBondContact O-N 3.43Å; R415-K417 PolarHBondContact O-N 2.91Å; R415-E418 VanDerWaalsContact CD-OE2 3.25Å; R415-E418 WeakPolarHBondContact CD-OE2 3.38Å; R415-E418 IonicContact CZ-OE2 3.96Å; R415-E418 IonicContact NE-OE2 2.88Å; R415-E418 IonicContact NH1-OE1 3.75Å; R415-E418 PolarHBondContact NH1-OE1 3.09Å; R415-E418 IonicContact NH1-OE2 2.74Å; R415-E418 PolarHBondContact NH1-OE2 3.29Å; R415-E418 PolarHBondContact O-N 3.37Å; R415-L419 HydrophobicContact CG-CD1 4.02Å; R415-L419 HydrophobicContact CG-CG 4.26Å; R415-L419 WeakPolarHBondContact O-CB 3.17Å; R415-L419 WeakPolarHBondContact O-CG 3.3Å; R415-L419 PolarHBondContact O-N 3.32Å; R415-E439 IonicContact CZ-OE1 2.73Å; R415-E439 IonicContact CZ-OE2 3.82Å; R415-E439 IonicContact NE-OE1 3.91Å; R415-E439 IonicContact NE-OE2 3.71Å; R415-E439 PolarHBondContact NE-OE2 2.98Å; R415-E439 IonicContact NH2-OE1 2.94Å; R415-E439 PolarHBondContact NH2-OE1 2.78Å; R415-E439 IonicContact NH2-OE2 3.86Å; R415-E439 PolarHBondContact NH2-OE2 3.46Å; R415-E439 VanDerWaalsContact NH2-OE2 3.1Å
416G92.1Very high91.1Very high6 Ų675.6 Ų75.66%0.06238%0.376CS..Hα-helixtrans-66.3-12.517300000115.3I405 S412 K413 E414 K420I405-G416 WeakPolarHBondContact CG2-O 3.14Å; S412-G416 PolarHBondContact O-N 2.78Å; K413-G416 CarbonylContact O-C 3.27Å; E414-G416 VanDerWaalsContact C-N 3.29Å; E414-G416 PolarHBondContact O-N 3.41Å; G416-K420 WeakPolarHBondContact O-CD 3.38Å; G416-K420 VanDerWaalsContact O-CE 3.29Å; G416-K420 WeakPolarHBondContact O-CE 3.49Å; G416-K420 WeakPolarHBondContact O-CG 3.28Å
417K93Very high90.5Very high118 Ų11873.9 Ų73.951%0.51336%0.362SS..Hα-helixtrans-93.1-46.4169.4176.1179.4173.3-67.90110.5K413 E414 R415 L419 K420 E421K413-K417 WeakPolarHBondContact O-CB 3.39Å; K413-K417 PolarHBondContact O-N 2.85Å; E414-K417 WeakPolarHBondContact O-CB 3.48Å; E414-K417 PolarHBondContact O-N 3.36Å; R415-K417 PolarHBondContact O-N 2.91Å; K417-L419 PolarHBondContact O-N 2.93Å; K417-K420 WeakPolarHBondContact O-CB 3.39Å; K417-K420 PolarHBondContact O-N 3.44Å; K417-K420 VanDerWaalsContact O-N 3.14Å; K417-E421 VanDerWaalsContact CE-OE1 3.3Å; K417-E421 WeakPolarHBondContact CE-OE1 3.39Å; K417-E421 VanDerWaalsContact NZ-CD 3.28Å; K417-E421 IonicContact NZ-OE1 2.59Å; K417-E421 PolarHBondContact NZ-OE1 3.32Å; K417-E421 IonicContact NZ-OE2 3.22Å; K417-E421 PolarHBondContact NZ-OE2 3.18Å; K417-E421 PolarHBondContact O-N 3.23Å; K417-E421 VanDerWaalsContact O-N 3.08Å
418E93.7Very high90Very high81 Ų8169.6 Ų69.638%0.37934%0.337SS..Hα-helixtrans-56-47.2176.7-170.7-164.1171.400111.8E414 R415 K420 E421 I422E414-E418 PolarHBondContact O-N 3.23Å; R415-E418 VanDerWaalsContact CD-OE2 3.25Å; R415-E418 WeakPolarHBondContact CD-OE2 3.38Å; R415-E418 IonicContact CZ-OE2 3.96Å; R415-E418 IonicContact NE-OE2 2.88Å; R415-E418 IonicContact NH1-OE1 3.75Å; R415-E418 PolarHBondContact NH1-OE1 3.09Å; R415-E418 IonicContact NH1-OE2 2.74Å; R415-E418 PolarHBondContact NH1-OE2 3.29Å; R415-E418 PolarHBondContact O-N 3.37Å; E418-K420 PolarHBondContact O-N 2.91Å; E418-E421 PolarHBondContact O-N 3.12Å; E418-E421 VanDerWaalsContact O-N 3.12Å; E418-I422 HydrophobicContact CG-CD1 4.03Å; E418-I422 VanDerWaalsContact O-CG1 3.3Å; E418-I422 WeakPolarHBondContact O-CG1 3.48Å; E418-I422 PolarHBondContact O-N 3.21Å
419L93.1Very high89.5Confident0 Ų068.4 Ų68.40%034%0.338CS..Hα-helixtrans-60.5-31.4178.6-74.4173.9000112.9I405 F409 R415 K417 C423 I436 L440I405-L419 HydrophobicContact CG2-CB 4.4Å; F409-L419 HydrophobicContact CD1-CD1 4.01Å; F409-L419 HydrophobicContact CD2-CD1 4.33Å; F409-L419 HydrophobicContact CE1-CD1 3.42Å; F409-L419 VanDerWaalsContact CE1-CD1 3.42Å; F409-L419 HydrophobicContact CE2-CD1 3.79Å; F409-L419 HydrophobicContact CG-CD1 4.45Å; F409-L419 HydrophobicContact CZ-CD1 3.31Å; R415-L419 HydrophobicContact CG-CD1 4.02Å; R415-L419 HydrophobicContact CG-CG 4.26Å; R415-L419 WeakPolarHBondContact O-CB 3.17Å; R415-L419 WeakPolarHBondContact O-CG 3.3Å; R415-L419 PolarHBondContact O-N 3.32Å; K417-L419 PolarHBondContact O-N 2.93Å; L419-C423 PolarHBondContact O-N 3.37Å; L419-C423 PolarHBondContact O-SG 3.45Å; L419-I436 HydrophobicContact CD2-CD1 3.96Å; L419-I436 HydrophobicContact CD2-CG2 4.4Å; L419-L440 HydrophobicContact CB-CD2 4.19Å; L419-L440 HydrophobicContact CD1-CD2 4.37Å; L419-L440 HydrophobicContact CD2-CD2 4.23Å; L419-L440 HydrophobicContact CD2-CG 4.3Å
420K93.9Very high89.4Confident47 Ų4770.9 Ų70.920%0.20435%0.346CS..Hα-helixtrans-71.5-47.6173-59.4178.1-178-170.70111.4D402 I405 S406 G416 K417 E418 I422 C423 H424D402-K420 HydrophobicContact CB-CD 4.03Å; D402-K420 HydrophobicContact CB-CG 4.45Å; D402-K420 WeakPolarHBondContact O-CE 3.42Å; D402-K420 PolarHBondContact O-NZ 3.03Å; D402-K420 VanDerWaalsContact OD1-CB 3.3Å; D402-K420 WeakPolarHBondContact OD1-CB 3.04Å; D402-K420 WeakPolarHBondContact OD1-CD 3.27Å; D402-K420 WeakPolarHBondContact OD1-CG 3.36Å; I405-K420 HydrophobicContact CB-CG 4.39Å; I405-K420 HydrophobicContact CD1-CG 4.28Å; I405-K420 HydrophobicContact CG2-CG 3.97Å; S406-K420 WeakPolarHBondContact OG-CE 3.34Å; S406-K420 PolarHBondContact OG-NZ 3.12Å; G416-K420 WeakPolarHBondContact O-CD 3.38Å; G416-K420 VanDerWaalsContact O-CE 3.29Å; G416-K420 WeakPolarHBondContact O-CE 3.49Å; G416-K420 WeakPolarHBondContact O-CG 3.28Å; K417-K420 WeakPolarHBondContact O-CB 3.39Å; K417-K420 PolarHBondContact O-N 3.44Å; K417-K420 VanDerWaalsContact O-N 3.14Å; E418-K420 PolarHBondContact O-N 2.91Å; K420-I422 PolarHBondContact O-N 3.39Å; K420-C423 CarbonylContact O-C 3.59Å; K420-C423 WeakPolarHBondContact O-CA 3.25Å; K420-C423 WeakPolarHBondContact O-CB 3.38Å; K420-C423 PolarHBondContact O-N 2.99Å; K420-H424 PolarHBondContact O-CD2 3.45Å; K420-H424 PolarHBondContact O-N 3.14Å
421E93.1Very high89.4Confident111 Ų11167 Ų6752%0.51933%0.328SS..Hα-helixtrans-58-30.5176.6-70.4172.717100111.2K417 E418K417-E421 VanDerWaalsContact CE-OE1 3.3Å; K417-E421 WeakPolarHBondContact CE-OE1 3.39Å; K417-E421 VanDerWaalsContact NZ-CD 3.28Å; K417-E421 IonicContact NZ-OE1 2.59Å; K417-E421 PolarHBondContact NZ-OE1 3.32Å; K417-E421 IonicContact NZ-OE2 3.22Å; K417-E421 PolarHBondContact NZ-OE2 3.18Å; K417-E421 PolarHBondContact O-N 3.23Å; K417-E421 VanDerWaalsContact O-N 3.08Å; E418-E421 PolarHBondContact O-N 3.12Å; E418-E421 VanDerWaalsContact O-N 3.12Å
422I91.1Very high89.5Confident7 Ų760 Ų604%0.03629%0.29CS..Hα-helixtrans-73-46.4169.1-63.7168.3000111.8E418 K420 H424 S425 W427 I436E418-I422 HydrophobicContact CG-CD1 4.03Å; E418-I422 VanDerWaalsContact O-CG1 3.3Å; E418-I422 WeakPolarHBondContact O-CG1 3.48Å; E418-I422 PolarHBondContact O-N 3.21Å; K420-I422 PolarHBondContact O-N 3.39Å; I422-H424 VanDerWaalsContact C-N 3.34Å; I422-H424 PolarHBondContact O-N 2.8Å; I422-S425 CarbonylContact O-C 3.56Å; I422-S425 WeakPolarHBondContact O-CA 3.35Å; I422-S425 WeakPolarHBondContact O-CB 3.39Å; I422-S425 PolarHBondContact O-N 2.98Å; I422-S425 VanDerWaalsContact O-O 3.12Å; I422-S425 PolarHBondContact O-OG 3.35Å; I422-W427 HydrophobicContact CG2-CB 3.42Å; I422-W427 VanDerWaalsContact CG2-CB 3.42Å; I422-W427 HydrophobicContact CG2-CG 4.14Å; I422-I436 HydrophobicContact CD1-CD1 3.74Å; I422-I436 HydrophobicContact CD1-CG1 4.44Å; I422-I436 HydrophobicContact CG2-CG2 3.88Å
423C90Very high89.6Confident3 Ų357.5 Ų57.52%0.0227%0.274CS..Hα-helixtrans-60.2-34.9176.6-74.30000114.6H392 L401 L419 K420 S425 L440H392-C423 PolarHBondContact CE1-O 3.39Å; L401-C423 HydrophobicContact CD2-CB 4.3Å; L419-C423 PolarHBondContact O-N 3.37Å; L419-C423 PolarHBondContact O-SG 3.45Å; K420-C423 CarbonylContact O-C 3.59Å; K420-C423 WeakPolarHBondContact O-CA 3.25Å; K420-C423 WeakPolarHBondContact O-CB 3.38Å; K420-C423 PolarHBondContact O-N 2.99Å; C423-S425 PolarHBondContact O-N 3.37Å; C423-L440 VanDerWaalsContact SG-CD1 3.53Å
424H87.6Confident89.9Confident98 Ų9849.9 Ų49.945%0.45424%0.241SC..THydrogen-bonded Turntrans-75.91.7172.8-73.8-82.1000113.2D402 K420 I422D402-H424 IonicContact OD1-CD2 3.68Å; D402-H424 IonicContact OD1-NE2 3.34Å; D402-H424 PolarHBondContact OD1-NE2 2.87Å; D402-H424 IonicContact OD2-CD2 2.73Å; D402-H424 IonicContact OD2-CE1 2.6Å; D402-H424 IonicContact OD2-NE2 2.69Å; D402-H424 PolarHBondContact OD2-NE2 2.87Å; K420-H424 PolarHBondContact O-CD2 3.45Å; K420-H424 PolarHBondContact O-N 3.14Å; I422-H424 VanDerWaalsContact C-N 3.34Å; I422-H424 PolarHBondContact O-N 2.8Å
425S84.5Confident90Very high44 Ų4444 Ų4431%0.30821%0.213SC..SBendtrans-113.7164.7173.282.10000111.2I422 C423 W427I422-S425 CarbonylContact O-C 3.56Å; I422-S425 WeakPolarHBondContact O-CA 3.35Å; I422-S425 WeakPolarHBondContact O-CB 3.39Å; I422-S425 PolarHBondContact O-N 2.98Å; I422-S425 VanDerWaalsContact O-O 3.12Å; I422-S425 PolarHBondContact O-OG 3.35Å; C423-S425 PolarHBondContact O-N 3.37Å; S425-W427 PolarHBondContact O-N 2.74Å
426H75.8Confident90.1Very high102 Ų10241.3 Ų41.347%0.47220%0.203SC..  trans-7671.4172.7-175.847.2000110.5E385 T428 G429E385-H426 IonicContact OE1-CE1 3.75Å; E385-H426 IonicContact OE2-CE1 3.1Å; H426-T428 VanDerWaalsContact C-N 3.29Å; H426-T428 PolarHBondContact CE1-OG1 3.43Å; H426-T428 PolarHBondContact ND1-OG1 3.25Å; H426-T428 PolarHBondContact O-N 3.41Å; H426-G429 PolarHBondContact O-N 3.43Å
427W83.2Confident90.2Very high11 Ų1141.2 Ų41.24%0.04220%0.201CC..G310 helixtrans-71-19.2-168.463.8-96000114.7I384 I422 S425 G429 R430 A433 I436 L437I384-W427 HydrophobicContact CG2-CH2 3.89Å; I384-W427 HydrophobicContact CG2-CZ3 4.35Å; I422-W427 HydrophobicContact CG2-CB 3.42Å; I422-W427 VanDerWaalsContact CG2-CB 3.42Å; I422-W427 HydrophobicContact CG2-CG 4.14Å; S425-W427 PolarHBondContact O-N 2.74Å; W427-G429 PolarHBondContact O-N 2.89Å; W427-R430 VanDerWaalsContact O-CB 3.27Å; W427-R430 WeakPolarHBondContact O-CB 3.33Å; W427-R430 WeakPolarHBondContact O-CG 3.49Å; W427-R430 PolarHBondContact O-N 2.89Å; W427-R430 VanDerWaalsContact O-N 3.15Å; W427-A433 HydrophobicContact CE3-CB 4.2Å; W427-A433 HydrophobicContact CZ3-CB 4.26Å; W427-A433 WeakPolarHBondContact CZ3-O 3.42Å; W427-A433 WeakPolarHBondContact O-CB 3.28Å; W427-I436 HydrophobicContact CE3-CG2 4.26Å; W427-L437 HydrophobicContact CH2-CB 4.02Å; W427-L437 HydrophobicContact CH2-CD1 4.03Å; W427-L437 HydrophobicContact CH2-CG 4.43Å; W427-L437 HydrophobicContact CZ3-CB 3.96Å
428T83.5Confident90.4Very high6 Ų636.2 Ų36.24%0.03718%0.18CC..G310 helixtrans-65-26.3179.658.50000112.6T366 I384 E385 C388 H426 R430T366-T428 PolarHBondContact OG1-O 3.07Å; T366-T428 VanDerWaalsContact OG1-O 3.14Å; I384-T428 HydrophobicContact CG2-CG2 3.48Å; I384-T428 VanDerWaalsContact CG2-CG2 3.48Å; E385-T428 WeakPolarHBondContact OE1-CB 3.16Å; E385-T428 PolarHBondContact OE1-OG1 3.43Å; C388-T428 HydrophobicContact CB-CG2 3.77Å; H426-T428 VanDerWaalsContact C-N 3.29Å; H426-T428 PolarHBondContact CE1-OG1 3.43Å; H426-T428 PolarHBondContact ND1-OG1 3.25Å; H426-T428 PolarHBondContact O-N 3.41Å; T428-R430 VanDerWaalsContact C-N 3.29Å; T428-R430 PolarHBondContact O-N 2.86Å
429G83.6Confident90.4Very high31 Ų3135.7 Ų35.732%0.3218%0.178SC..G310 helixtrans-81.912173.500000115.5A363 H426 W427A363-G429 WeakPolarHBondContact CB-O 3.34Å; H426-G429 PolarHBondContact O-N 3.43Å; W427-G429 PolarHBondContact O-N 2.89Å
430R89.6Confident90.4Very high83 Ų8335.7 Ų35.731%0.31318%0.178SC..SBendtrans-96.1152.2-178.6-64.7173.452.9120.41113W427 T428 D432 A433W427-R430 VanDerWaalsContact O-CB 3.27Å; W427-R430 WeakPolarHBondContact O-CB 3.33Å; W427-R430 WeakPolarHBondContact O-CG 3.49Å; W427-R430 PolarHBondContact O-N 2.89Å; W427-R430 VanDerWaalsContact O-N 3.15Å; T428-R430 VanDerWaalsContact C-N 3.29Å; T428-R430 PolarHBondContact O-N 2.86Å; R430-D432 WeakPolarHBondContact CB-OD1 3.38Å; R430-D432 IonicContact CZ-OD1 2.8Å; R430-D432 VanDerWaalsContact CZ-OD1 3.25Å; R430-D432 IonicContact NE-OD1 3.69Å; R430-D432 PolarHBondContact NE-OD1 2.97Å; R430-D432 VanDerWaalsContact NH2-CG 3.32Å; R430-D432 IonicContact NH2-OD1 3.4Å; R430-D432 PolarHBondContact NH2-OD1 2.88Å; R430-D432 IonicContact NH2-OD2 3.8Å; R430-D432 PolarHBondContact NH2-OD2 3.23Å; R430-D432 PolarHBondContact O-N 3.47Å; R430-D432 VanDerWaalsContact O-N 3.14Å; R430-A433 VanDerWaalsContact O-CB 3.32Å; R430-A433 WeakPolarHBondContact O-CB 3.27Å; R430-A433 PolarHBondContact O-N 3.02Å; R430-A433 VanDerWaalsContact O-N 3.09Å
431H91.7Very high90.5Very high34 Ų3433.5 Ų33.516%0.15717%0.169CC..THydrogen-bonded Turntrans-57.4-28.3172.6-62.2-84.6000113.9N365 R494 G497 K498 Q501N365-H431 PolarHBondContact ND2-O 2.97Å; H431-R494 HydrophobicContact CB-CG 4.14Å; H431-G497 PolarHBondContact CE1-O 2.59Å; H431-K498 PolarHBondContact CE1-N 3.19Å; H431-K498 VanDerWaalsContact CE1-N 3.34Å; H431-Q501 PolarHBondContact CE1-OE1 3.32Å; H431-Q501 PolarHBondContact NE2-OE1 3.1Å
432D93.2Very high90.6Very high21 Ų2130.5 Ų30.511%0.11215%0.154CC..THydrogen-bonded Turntrans-104.517.1179.746.919.9000113.9R430 F434 E435 I436 R494R430-D432 WeakPolarHBondContact CB-OD1 3.38Å; R430-D432 IonicContact CZ-OD1 2.8Å; R430-D432 VanDerWaalsContact CZ-OD1 3.25Å; R430-D432 IonicContact NE-OD1 3.69Å; R430-D432 PolarHBondContact NE-OD1 2.97Å; R430-D432 VanDerWaalsContact NH2-CG 3.32Å; R430-D432 IonicContact NH2-OD1 3.4Å; R430-D432 PolarHBondContact NH2-OD1 2.88Å; R430-D432 IonicContact NH2-OD2 3.8Å; R430-D432 PolarHBondContact NH2-OD2 3.23Å; R430-D432 PolarHBondContact O-N 3.47Å; R430-D432 VanDerWaalsContact O-N 3.14Å; D432-F434 VanDerWaalsContact C-N 3.27Å; D432-F434 PolarHBondContact O-N 3.12Å; D432-E435 HydrophobicContact CB-CB 4.29Å; D432-E435 WeakPolarHBondContact O-CB 3.38Å; D432-E435 PolarHBondContact O-N 2.75Å; D432-I436 WeakPolarHBondContact O-CG1 3.27Å; D432-I436 PolarHBondContact O-N 2.88Å; D432-R494 VanDerWaalsContact CB-NH2 3.32Å; D432-R494 IonicContact OD2-CZ 2.66Å; D432-R494 IonicContact OD2-NE 3.79Å; D432-R494 IonicContact OD2-NH2 2.84Å; D432-R494 PolarHBondContact OD2-NH2 3.33Å
433A93.9Very high90.8Very high4 Ų430.1 Ų30.13%0.03315%0.153CC..Hα-helixtrans-51.1-43.1-179.200000113.5W427 R430 L437W427-A433 HydrophobicContact CE3-CB 4.2Å; W427-A433 HydrophobicContact CZ3-CB 4.26Å; W427-A433 WeakPolarHBondContact CZ3-O 3.42Å; W427-A433 WeakPolarHBondContact O-CB 3.28Å; R430-A433 VanDerWaalsContact O-CB 3.32Å; R430-A433 WeakPolarHBondContact O-CB 3.27Å; R430-A433 PolarHBondContact O-N 3.02Å; R430-A433 VanDerWaalsContact O-N 3.09Å; A433-L437 VanDerWaalsContact O-CB 3.22Å; A433-L437 WeakPolarHBondContact O-CB 3.18Å; A433-L437 PolarHBondContact O-N 3.43Å
434F96.1Very high91Very high7 Ų730.2 Ų30.23%0.03115%0.153CC..Hα-helixtrans-73.1-31.4-180-55.4-72000113.7A369 L381 I384 D432 V438 L486 K487 L490A369-F434 HydrophobicContact CB-CE2 3.94Å; A369-F434 HydrophobicContact CB-CZ 3.58Å; L381-F434 HydrophobicContact CD2-CE1 4.06Å; L381-F434 HydrophobicContact CD2-CZ 3.88Å; I384-F434 HydrophobicContact CD1-CD1 4.43Å; I384-F434 HydrophobicContact CD1-CE1 4.08Å; D432-F434 VanDerWaalsContact C-N 3.27Å; D432-F434 PolarHBondContact O-N 3.12Å; F434-V438 WeakPolarHBondContact O-CG2 3.39Å; F434-V438 PolarHBondContact O-N 2.72Å; F434-V438 VanDerWaalsContact O-N 3.08Å; F434-L486 HydrophobicContact CD1-CB 3.83Å; F434-L486 HydrophobicContact CD1-CD1 4.11Å; F434-L486 HydrophobicContact CD2-CB 4.28Å; F434-L486 HydrophobicContact CE1-CB 4.1Å; F434-L486 HydrophobicContact CE1-CD1 3.68Å; F434-L486 HydrophobicContact CE1-CG 4.48Å; F434-L486 HydrophobicContact CG-CB 3.94Å; F434-L486 HydrophobicContact CZ-CB 4.45Å; F434-L486 HydrophobicContact CZ-CD1 4.19Å; F434-K487 HydrophobicContact CB-CB 3.97Å; F434-L490 HydrophobicContact CD2-CD1 3.7Å; F434-L490 HydrophobicContact CE2-CD1 3.47Å; F434-L490 VanDerWaalsContact CE2-CD1 3.47Å; F434-L490 HydrophobicContact CZ-CD1 4.37Å
435E94.9Very high91.4Very high51 Ų5126.3 Ų26.324%0.23814%0.136CC..Hα-helixtrans-68.3-48.6174179-179.2121.800110.3D432 L437 V438 E439 R494D432-E435 HydrophobicContact CB-CB 4.29Å; D432-E435 WeakPolarHBondContact O-CB 3.38Å; D432-E435 PolarHBondContact O-N 2.75Å; E435-L437 VanDerWaalsContact C-N 3.35Å; E435-L437 PolarHBondContact O-N 3.42Å; E435-V438 PolarHBondContact O-N 3.19Å; E435-E439 PolarHBondContact O-N 2.71Å; E435-E439 VanDerWaalsContact O-N 3.14Å; E435-R494 IonicContact OE1-CZ 2.79Å; E435-R494 IonicContact OE1-NH1 2.73Å; E435-R494 PolarHBondContact OE1-NH1 2.75Å; E435-R494 IonicContact OE1-NH2 2.84Å; E435-R494 PolarHBondContact OE1-NH2 3.13Å; E435-R494 IonicContact OE2-CZ 3.63Å; E435-R494 IonicContact OE2-NH1 2.8Å; E435-R494 PolarHBondContact OE2-NH1 3.46Å; E435-R494 IonicContact OE2-NH2 2.69Å
436I94.6Very high91.9Very high2 Ų228.2 Ų28.21%0.0114%0.142CC..Hα-helixtrans-59.7-42.8173.5-65.6-58.5000111.5L419 I422 W427 D432 E439 L440L419-I436 HydrophobicContact CD2-CD1 3.96Å; L419-I436 HydrophobicContact CD2-CG2 4.4Å; I422-I436 HydrophobicContact CD1-CD1 3.74Å; I422-I436 HydrophobicContact CD1-CG1 4.44Å; I422-I436 HydrophobicContact CG2-CG2 3.88Å; W427-I436 HydrophobicContact CE3-CG2 4.26Å; D432-I436 WeakPolarHBondContact O-CG1 3.27Å; D432-I436 PolarHBondContact O-N 2.88Å; I436-E439 PolarHBondContact O-N 3.17Å; I436-L440 HydrophobicContact CG2-CD1 3.59Å; I436-L440 HydrophobicContact CG2-CG 4.17Å; I436-L440 VanDerWaalsContact O-CB 3.3Å; I436-L440 WeakPolarHBondContact O-CB 3.37Å; I436-L440 VanDerWaalsContact O-CG 3.28Å; I436-L440 WeakPolarHBondContact O-CG 3.31Å; I436-L440 PolarHBondContact O-N 2.9Å
437L95.2Very high92.8Very high4 Ų423.4 Ų23.42%0.02112%0.12CC..Hα-helixtrans-63.1-42.4178.2173.559.7000112.5I384 W427 A433 E435 E439 L440 L441 L444 F479 I483I384-L437 HydrophobicContact CD1-CD2 3.36Å; I384-L437 HydrophobicContact CG1-CD2 3.52Å; W427-L437 HydrophobicContact CH2-CB 4.02Å; W427-L437 HydrophobicContact CH2-CD1 4.03Å; W427-L437 HydrophobicContact CH2-CG 4.43Å; W427-L437 HydrophobicContact CZ3-CB 3.96Å; A433-L437 VanDerWaalsContact O-CB 3.22Å; A433-L437 WeakPolarHBondContact O-CB 3.18Å; A433-L437 PolarHBondContact O-N 3.43Å; E435-L437 VanDerWaalsContact C-N 3.35Å; E435-L437 PolarHBondContact O-N 3.42Å; L437-E439 VanDerWaalsContact C-N 3.34Å; L437-L440 CarbonylContact O-C 3.58Å; L437-L440 PolarHBondContact O-N 2.7Å; L437-L441 WeakPolarHBondContact O-CB 3.27Å; L437-L441 PolarHBondContact O-N 3.11Å; L437-L444 HydrophobicContact CD1-CD1 3.73Å; L437-F479 HydrophobicContact CD2-CZ 4.22Å; L437-I483 HydrophobicContact CD2-CB 4.03Å; L437-I483 HydrophobicContact CD2-CD1 3.98Å; L437-I483 HydrophobicContact CD2-CG2 3.63Å; L437-I483 HydrophobicContact CG-CD1 3.86Å
438V95.8Very high93.4Very high14 Ų1422.9 Ų22.99%0.08512%0.118CC..Hα-helixtrans-65.4-37.9177.5166.10000111.3F434 E435 I483 V484 K487 L542F434-V438 WeakPolarHBondContact O-CG2 3.39Å; F434-V438 PolarHBondContact O-N 2.72Å; F434-V438 VanDerWaalsContact O-N 3.08Å; E435-V438 PolarHBondContact O-N 3.19Å; V438-I483 HydrophobicContact CG2-CD1 3.95Å; V438-I483 HydrophobicContact CG2-CG1 4.15Å; V438-V484 HydrophobicContact CG2-CG2 4.18Å; V438-K487 HydrophobicContact CB-CD 3.91Å; V438-K487 HydrophobicContact CG1-CD 4.04Å; V438-K487 HydrophobicContact CG2-CB 4.44Å; V438-K487 HydrophobicContact CG2-CD 3.81Å; V438-L542 HydrophobicContact CG1-CD1 3.7Å; V438-L542 HydrophobicContact CG1-CD2 4.26Å
439E93.8Very high93.8Very high69 Ų6926.1 Ų26.132%0.32214%0.135SC..Hα-helixtrans-66.1-40.6170.9-79.6-177.4-123.600113.1R415 E435 I436 L437R415-E439 IonicContact CZ-OE1 2.73Å; R415-E439 IonicContact CZ-OE2 3.82Å; R415-E439 IonicContact NE-OE1 3.91Å; R415-E439 IonicContact NE-OE2 3.71Å; R415-E439 PolarHBondContact NE-OE2 2.98Å; R415-E439 IonicContact NH2-OE1 2.94Å; R415-E439 PolarHBondContact NH2-OE1 2.78Å; R415-E439 IonicContact NH2-OE2 3.86Å; R415-E439 PolarHBondContact NH2-OE2 3.46Å; R415-E439 VanDerWaalsContact NH2-OE2 3.1Å; E435-E439 PolarHBondContact O-N 2.71Å; E435-E439 VanDerWaalsContact O-N 3.14Å; I436-E439 PolarHBondContact O-N 3.17Å; L437-E439 VanDerWaalsContact C-N 3.34Å
440L94.1Very high94.2Very high0 Ų026.5 Ų26.50%014%0.139CC..Hα-helixtrans-78.6-17.1-178.7-73.8178000113.9I405 L419 C423 I436 L437 Q442 A443 L444I405-L440 HydrophobicContact CD1-CD2 3.79Å; I405-L440 HydrophobicContact CG1-CD2 4.21Å; L419-L440 HydrophobicContact CB-CD2 4.19Å; L419-L440 HydrophobicContact CD1-CD2 4.37Å; L419-L440 HydrophobicContact CD2-CD2 4.23Å; L419-L440 HydrophobicContact CD2-CG 4.3Å; C423-L440 VanDerWaalsContact SG-CD1 3.53Å; I436-L440 HydrophobicContact CG2-CD1 3.59Å; I436-L440 HydrophobicContact CG2-CG 4.17Å; I436-L440 VanDerWaalsContact O-CB 3.3Å; I436-L440 WeakPolarHBondContact O-CB 3.37Å; I436-L440 VanDerWaalsContact O-CG 3.28Å; I436-L440 WeakPolarHBondContact O-CG 3.31Å; I436-L440 PolarHBondContact O-N 2.9Å; L437-L440 CarbonylContact O-C 3.58Å; L437-L440 PolarHBondContact O-N 2.7Å; L440-Q442 VanDerWaalsContact C-N 3.27Å; L440-Q442 PolarHBondContact O-N 2.71Å; L440-Q442 VanDerWaalsContact O-N 3.12Å; L440-A443 CarbonylContact O-C 3.56Å; L440-A443 WeakPolarHBondContact O-CA 3.37Å; L440-A443 WeakPolarHBondContact O-CB 3.14Å; L440-A443 PolarHBondContact O-N 2.68Å; L440-L444 HydrophobicContact CB-CD1 4.01Å; L440-L444 HydrophobicContact CB-CG 4.21Å; L440-L444 WeakPolarHBondContact O-CG 3.29Å; L440-L444 PolarHBondContact O-N 2.93Å
441L95.3Very high94.4Very high2 Ų222.6 Ų22.61%0.0113%0.125CC..Hα-helixtrans-50-45.7-171.3-176.567000112.6L437 A443 L444 V445 V474 F479 I480 I483 L546L437-L441 WeakPolarHBondContact O-CB 3.27Å; L437-L441 PolarHBondContact O-N 3.11Å; L441-A443 PolarHBondContact O-N 3.12Å; L441-L444 PolarHBondContact O-N 2.7Å; L441-V445 HydrophobicContact CD1-CG2 4.46Å; L441-V445 VanDerWaalsContact O-CG2 3.3Å; L441-V445 WeakPolarHBondContact O-CG2 3.46Å; L441-V445 PolarHBondContact O-N 3.19Å; L441-V474 HydrophobicContact CD1-CB 4.34Å; L441-F479 HydrophobicContact CD1-CE1 4.12Å; L441-I480 HydrophobicContact CD2-CD1 4.34Å; L441-I480 HydrophobicContact CD2-CG1 4.09Å; L441-I483 HydrophobicContact CD1-CD1 4.34Å; L441-I483 HydrophobicContact CD2-CD1 4.39Å; L441-L546 HydrophobicContact CD2-CD1 3.75Å; L441-L546 HydrophobicContact CG-CD1 3.95Å
442Q94.8Very high94.2Very high47 Ų4723.5 Ų23.522%0.2213%0.13CC..Hα-helixtrans-66.3-34.9177.4-173.3172.317.100113.2L408 L440 L446 L546L408-Q442 HydrophobicContact CD1-CB 4.25Å; L408-Q442 HydrophobicContact CD1-CG 4Å; L408-Q442 HydrophobicContact CD2-CG 4.17Å; L440-Q442 VanDerWaalsContact C-N 3.27Å; L440-Q442 PolarHBondContact O-N 2.71Å; L440-Q442 VanDerWaalsContact O-N 3.12Å; Q442-L446 HydrophobicContact CG-CD1 4.05Å; Q442-L446 WeakPolarHBondContact O-CB 2.92Å; Q442-L446 VanDerWaalsContact O-CG 3.3Å; Q442-L446 WeakPolarHBondContact O-CG 3.22Å; Q442-L446 PolarHBondContact O-N 3.45Å; Q442-L446 VanDerWaalsContact O-N 3.17Å; Q442-L546 HydrophobicContact CB-CD2 3.88Å; Q442-L546 HydrophobicContact CG-CD2 3.78Å
443A95.1Very high93.9Very high0 Ų025.7 Ų25.70%015%0.148CC..Hα-helixtrans-70.2-40.4175.400000111.6L401 V404 I405 L408 L440 L441 C447L401-A443 HydrophobicContact CD1-CB 4.09Å; V404-A443 HydrophobicContact CG1-CB 4.15Å; I405-A443 HydrophobicContact CG1-CB 3.81Å; L408-A443 HydrophobicContact CD1-CB 3.74Å; L440-A443 CarbonylContact O-C 3.56Å; L440-A443 WeakPolarHBondContact O-CA 3.37Å; L440-A443 WeakPolarHBondContact O-CB 3.14Å; L440-A443 PolarHBondContact O-N 2.68Å; L441-A443 PolarHBondContact O-N 3.12Å; A443-C447 WeakPolarHBondContact O-CB 3.19Å; A443-C447 PolarHBondContact O-N 3.28Å
444L95.7Very high93.5Very high4 Ų427.5 Ų27.52%0.02116%0.157CC..Hα-helixtrans-64.9-48.5177.7-64.7168.7000111.1V387 F391 L401 L437 L440 L441 C447 L448V387-L444 HydrophobicContact CG1-CD1 4.46Å; V387-L444 HydrophobicContact CG1-CD2 3.97Å; F391-L444 HydrophobicContact CD2-CD2 4.24Å; F391-L444 HydrophobicContact CE2-CD2 3.62Å; F391-L444 HydrophobicContact CZ-CD2 4.32Å; L401-L444 HydrophobicContact CD1-CD2 4.01Å; L401-L444 HydrophobicContact CD2-CD2 3.97Å; L437-L444 HydrophobicContact CD1-CD1 3.73Å; L440-L444 HydrophobicContact CB-CD1 4.01Å; L440-L444 HydrophobicContact CB-CG 4.21Å; L440-L444 WeakPolarHBondContact O-CG 3.29Å; L440-L444 PolarHBondContact O-N 2.93Å; L441-L444 PolarHBondContact O-N 2.7Å; L444-C447 PolarHBondContact O-N 3.49Å; L444-L448 WeakPolarHBondContact O-CB 3.48Å; L444-L448 WeakPolarHBondContact O-CG 3.32Å; L444-L448 PolarHBondContact O-N 3.38Å
445V95.1Very high92.5Very high16 Ų1633.2 Ų33.210%0.09719%0.192CC..Hα-helixtrans-59.2-52.7177.51710000111.4L441 C447 L448 D449 V474 T475 L546L441-V445 HydrophobicContact CD1-CG2 4.46Å; L441-V445 VanDerWaalsContact O-CG2 3.3Å; L441-V445 WeakPolarHBondContact O-CG2 3.46Å; L441-V445 PolarHBondContact O-N 3.19Å; V445-C447 VanDerWaalsContact C-N 3.31Å; V445-C447 PolarHBondContact O-N 3.25Å; V445-L448 PolarHBondContact O-N 3Å; V445-D449 WeakPolarHBondContact O-CB 3.18Å; V445-D449 PolarHBondContact O-N 3.32Å; V445-V474 HydrophobicContact CG2-CG2 3.85Å; V445-T475 HydrophobicContact CB-CG2 4.43Å; V445-T475 HydrophobicContact CG1-CG2 3.81Å; V445-T475 HydrophobicContact CG2-CG2 3.71Å; V445-L546 HydrophobicContact CG2-CD1 4.44Å
446L94.5Very high91.7Very high84 Ų8437 Ų3744%0.4421%0.214SC..Hα-helixtrans-64.8-33.5-179-70.1174.7000112.8V404 L408 Q442 G450V404-L446 HydrophobicContact CG1-CB 3.94Å; L408-L446 HydrophobicContact CD1-CD1 4.31Å; L408-L446 HydrophobicContact CD2-CD1 4.03Å; Q442-L446 HydrophobicContact CG-CD1 4.05Å; Q442-L446 WeakPolarHBondContact O-CB 2.92Å; Q442-L446 VanDerWaalsContact O-CG 3.3Å; Q442-L446 WeakPolarHBondContact O-CG 3.22Å; Q442-L446 PolarHBondContact O-N 3.45Å; Q442-L446 VanDerWaalsContact O-N 3.17Å; L446-G450 PolarHBondContact O-N 3.33Å
447C95.3Very high90.6Very high2 Ų242.9 Ų42.91%0.01425%0.25CC..Hα-helixtrans-71.8-45.7175.8-169.20000111.8F391 L401 V404 A443 L444 V445 G450 I451F391-C447 HydrophobicContact CZ-CB 4.28Å; L401-C447 HydrophobicContact CD1-CB 4.09Å; V404-C447 HydrophobicContact CB-CB 4.42Å; V404-C447 HydrophobicContact CG2-CB 3.99Å; A443-C447 WeakPolarHBondContact O-CB 3.19Å; A443-C447 PolarHBondContact O-N 3.28Å; L444-C447 PolarHBondContact O-N 3.49Å; V445-C447 VanDerWaalsContact C-N 3.31Å; V445-C447 PolarHBondContact O-N 3.25Å; C447-G450 PolarHBondContact O-N 3.02Å; C447-I451 WeakPolarHBondContact O-CB 3.31Å; C447-I451 WeakPolarHBondContact O-CD1 3.42Å; C447-I451 WeakPolarHBondContact O-CG1 3.48Å; C447-I451 PolarHBondContact O-N 3.18Å
448L95.4Very high90.1Very high0 Ų047.8 Ų47.80%027%0.268CS..Hα-helixtrans-66.7-40.9-179.9-69.3168.2000112.3F390 F391 L444 V445 I451 N452 A467 L470 C471 V474F390-L448 HydrophobicContact CD1-CD2 3.85Å; F390-L448 HydrophobicContact CE1-CD2 3.64Å; F390-L448 HydrophobicContact CZ-CD2 4.39Å; F391-L448 HydrophobicContact CE2-CD2 4.23Å; F391-L448 HydrophobicContact CE2-CG 4.45Å; F391-L448 HydrophobicContact CZ-CD2 4.01Å; F391-L448 HydrophobicContact CZ-CG 4.18Å; L444-L448 WeakPolarHBondContact O-CB 3.48Å; L444-L448 WeakPolarHBondContact O-CG 3.32Å; L444-L448 PolarHBondContact O-N 3.38Å; V445-L448 PolarHBondContact O-N 3Å; L448-I451 PolarHBondContact O-N 3.44Å; L448-N452 WeakPolarHBondContact O-CB 3.37Å; L448-N452 PolarHBondContact O-N 3.21Å; L448-A467 HydrophobicContact CD2-CB 4.17Å; L448-L470 HydrophobicContact CD1-CB 4.06Å; L448-L470 HydrophobicContact CD2-CB 4.22Å; L448-C471 HydrophobicContact CB-CB 3.83Å; L448-V474 HydrophobicContact CD1-CG2 4.08Å
449D92.5Very high89.8Confident73 Ų7347.8 Ų47.839%0.3927%0.267SS..Hα-helixtrans-67-42.8172.7-177.344.7000111.8V445 I451 N452 S453V445-D449 WeakPolarHBondContact O-CB 3.18Å; V445-D449 PolarHBondContact O-N 3.32Å; D449-I451 VanDerWaalsContact C-N 3.27Å; D449-I451 PolarHBondContact O-N 3.38Å; D449-N452 PolarHBondContact O-N 3.4Å; D449-N452 VanDerWaalsContact O-N 3.17Å; D449-S453 VanDerWaalsContact O-CB 3.25Å; D449-S453 WeakPolarHBondContact O-CB 3.47Å; D449-S453 PolarHBondContact O-N 3.29Å; D449-S453 PolarHBondContact O-OG 3.1Å; D449-S453 PolarHBondContact OD1-OG 3.45Å
450G92.1Very high89.5Confident40 Ų4048.7 Ų48.741%0.41227%0.274SS..Hα-helixtrans-59.5-34.4174.900000113.8L446 C447 D454L446-G450 PolarHBondContact O-N 3.33Å; C447-G450 PolarHBondContact O-N 3.02Å; G450-D454 PolarHBondContact O-N 2.73Å
451I92.7Very high89.2Confident1 Ų155.5 Ų55.51%0.00531%0.31CS..Hα-helixtrans-73.6-39.9174.9-70161.2000111.7F390 F391 L397 C447 L448 D449 W459 I463 A467F390-I451 HydrophobicContact CE1-CD1 4.15Å; F390-I451 HydrophobicContact CZ-CG2 4.36Å; F391-I451 HydrophobicContact CE1-CD1 4.32Å; L397-I451 HydrophobicContact CD2-CD1 3.79Å; C447-I451 WeakPolarHBondContact O-CB 3.31Å; C447-I451 WeakPolarHBondContact O-CD1 3.42Å; C447-I451 WeakPolarHBondContact O-CG1 3.48Å; C447-I451 PolarHBondContact O-N 3.18Å; L448-I451 PolarHBondContact O-N 3.44Å; D449-I451 VanDerWaalsContact C-N 3.27Å; D449-I451 PolarHBondContact O-N 3.38Å; I451-W459 HydrophobicContact CG1-CZ2 4.03Å; I451-W459 HydrophobicContact CG2-CD2 4.21Å; I451-W459 HydrophobicContact CG2-CG 3.95Å; I451-I463 HydrophobicContact CG2-CG2 3.93Å; I451-A467 HydrophobicContact CB-CB 4.02Å; I451-A467 HydrophobicContact CG2-CB 3.62Å
452N89Confident88.9Confident52 Ų5260.5 Ų60.528%0.27834%0.344SS..Hα-helixtrans-67.4-43.3176.7164.362.9000112.4L448 D449 D454 A467 F468L448-N452 WeakPolarHBondContact O-CB 3.37Å; L448-N452 PolarHBondContact O-N 3.21Å; D449-N452 PolarHBondContact O-N 3.4Å; D449-N452 VanDerWaalsContact O-N 3.17Å; N452-D454 VanDerWaalsContact C-N 3.32Å; N452-D454 PolarHBondContact O-N 3.15Å; N452-A467 HydrophobicContact CB-CB 4.45Å; N452-F468 HydrophobicContact CB-CB 4.35Å; N452-F468 WeakPolarHBondContact OD1-CB 3.01Å
453S86.4Confident88.7Confident68 Ų6860.2 Ų60.248%0.47634%0.343SS..THydrogen-bonded Turntrans-88.48.1-171.8-62.80000113.7D449 T455D449-S453 VanDerWaalsContact O-CB 3.25Å; D449-S453 WeakPolarHBondContact O-CB 3.47Å; D449-S453 PolarHBondContact O-N 3.29Å; D449-S453 PolarHBondContact O-OG 3.1Å; D449-S453 PolarHBondContact OD1-OG 3.45Å; S453-T455 PolarHBondContact O-N 2.99Å
454D84.5Confident88.5Confident42 Ų4261.1 Ų61.123%0.22535%0.351CS..  trans-75.6105.3-177.3-173.611.3000113.2G450 N452 N456 R458G450-D454 PolarHBondContact O-N 2.73Å; N452-D454 VanDerWaalsContact C-N 3.32Å; N452-D454 PolarHBondContact O-N 3.15Å; D454-N456 PolarHBondContact O-N 3.22Å; D454-N456 VanDerWaalsContact OD1-CB 3.24Å; D454-N456 WeakPolarHBondContact OD1-CB 3.43Å; D454-N456 PolarHBondContact OD1-N 3.04Å; D454-N456 PolarHBondContact OD1-ND2 3.14Å; D454-R458 WeakPolarHBondContact OD2-CB 3.38Å
455T75.7Confident88.3Confident126 Ų12662.7 Ų62.777%0.77337%0.368SS*.THydrogen-bonded Turntrans-74.9-6.8176.256.10000114.4S453 V457S453-T455 PolarHBondContact O-N 2.99Å; T455-V457 VanDerWaalsContact C-N 3.33Å; T455-V457 PolarHBondContact O-N 3.39Å
456N77.3Confident88.3Confident131 Ų13165.1 Ų65.170%0.70138%0.375SS*.THydrogen-bonded Turntrans-86.93.1-174-55.9-81.7000114D454 R458D454-N456 PolarHBondContact O-N 3.22Å; D454-N456 VanDerWaalsContact OD1-CB 3.24Å; D454-N456 WeakPolarHBondContact OD1-CB 3.43Å; D454-N456 PolarHBondContact OD1-N 3.04Å; D454-N456 PolarHBondContact OD1-ND2 3.14Å; N456-R458 PolarHBondContact O-N 3.12Å
457V73.4Confident88.3Confident125 Ų12561.1 Ų61.176%0.75835%0.354SS*.  trans59.427.4177.6-153.70000113.3T455 W459T455-V457 VanDerWaalsContact C-N 3.33Å; T455-V457 PolarHBondContact O-N 3.39Å; V457-W459 VanDerWaalsContact C-N 3.28Å
458R84.6Confident88.3Confident107 Ų10766.4 Ų66.440%0.40438%0.378SS..  trans-65.3-34.8171.7-178.1-178167.1-176.3-5.3111.8E400 D454 N456E400-R458 VanDerWaalsContact CD-NH2 3.32Å; E400-R458 IonicContact OE1-CZ 3.7Å; E400-R458 IonicContact OE1-NH1 2.8Å; E400-R458 PolarHBondContact OE1-NH1 2.87Å; E400-R458 IonicContact OE1-NH2 3.83Å; E400-R458 IonicContact OE2-CZ 3.3Å; E400-R458 VanDerWaalsContact OE2-CZ 3.3Å; E400-R458 IonicContact OE2-NH1 3Å; E400-R458 PolarHBondContact OE2-NH1 3.28Å; E400-R458 IonicContact OE2-NH2 2.71Å; E400-R458 PolarHBondContact OE2-NH2 3.45Å; D454-R458 WeakPolarHBondContact OD2-CB 3.38Å; N456-R458 PolarHBondContact O-N 3.12Å
459W88.2Confident88.3Confident15 Ų1570 Ų706%0.05740%0.399CS..SBendtrans-107.1143.1-178.3-49.6115.5000110.4Q396 L397 E400 I451 V457 I463Q396-W459 HydrophobicContact CB-CH2 4.07Å; Q396-W459 HydrophobicContact CB-CZ3 4.05Å; L397-W459 HydrophobicContact CD2-CE3 4Å; L397-W459 HydrophobicContact CD2-CH2 3.67Å; L397-W459 HydrophobicContact CD2-CZ2 4.24Å; L397-W459 HydrophobicContact CD2-CZ3 3.54Å; L397-W459 HydrophobicContact CG-CH2 4.28Å; L397-W459 HydrophobicContact CG-CZ3 4.05Å; E400-W459 HydrophobicContact CB-CZ2 4.38Å; E400-W459 HydrophobicContact CG-CZ2 4.42Å; I451-W459 HydrophobicContact CG1-CZ2 4.03Å; I451-W459 HydrophobicContact CG2-CD2 4.21Å; I451-W459 HydrophobicContact CG2-CG 3.95Å; V457-W459 VanDerWaalsContact C-N 3.28Å; W459-I463 HydrophobicContact CB-CB 4.39Å; W459-I463 HydrophobicContact CB-CG2 4.11Å; W459-I463 HydrophobicContact CD2-CG2 4.35Å; W459-I463 HydrophobicContact CE3-CG2 4.12Å; W459-I463 HydrophobicContact CG-CG2 4.37Å
460N88.1Confident88.5Confident87 Ų8766.5 Ų66.547%0.46538%0.381SS..  trans-77.9159.2171.168.153.4000111C462 I463 A464N460-C462 PolarHBondContact O-N 3.27Å; N460-C462 VanDerWaalsContact O-N 3.08Å; N460-C462 WeakPolarHBondContact OD1-CB 3.48Å; N460-C462 PolarHBondContact OD1-N 2.99Å; N460-C462 VanDerWaalsContact OD1-N 3.13Å; N460-I463 PolarHBondContact O-N 3.35Å; N460-I463 PolarHBondContact OD1-N 3.1Å; N460-A464 PolarHBondContact O-N 2.97Å
461N87.8Confident88.7Confident144 Ų14465.3 Ų65.377%0.7737%0.366SS*.Hα-helixtrans-56.1-30.2-176.2-61.61.5000113.4G465N461-G465 PolarHBondContact O-N 2.89Å
462C88.1Confident88.7Confident106 Ų10668.1 Ų68.172%0.71639%0.385SS*.Hα-helixtrans-72.2-36.7178.3-53.80000112N460 R466N460-C462 PolarHBondContact O-N 3.27Å; N460-C462 VanDerWaalsContact O-N 3.08Å; N460-C462 WeakPolarHBondContact OD1-CB 3.48Å; N460-C462 PolarHBondContact OD1-N 2.99Å; N460-C462 VanDerWaalsContact OD1-N 3.13Å; C462-R466 WeakPolarHBondContact O-CB 3.39Å; C462-R466 PolarHBondContact O-N 2.81Å
463I91.4Very high89Confident41 Ų4167 Ų6721%0.2138%0.383CS..Hα-helixtrans-70.8-50.7173.7-68.2172.8000110F390 L397 I451 W459 N460 R466 A467F390-I463 HydrophobicContact CE2-CG2 4.13Å; F390-I463 HydrophobicContact CZ-CG2 3.97Å; L397-I463 HydrophobicContact CD2-CG2 3.98Å; I451-I463 HydrophobicContact CG2-CG2 3.93Å; W459-I463 HydrophobicContact CB-CB 4.39Å; W459-I463 HydrophobicContact CB-CG2 4.11Å; W459-I463 HydrophobicContact CD2-CG2 4.35Å; W459-I463 HydrophobicContact CE3-CG2 4.12Å; W459-I463 HydrophobicContact CG-CG2 4.37Å; N460-I463 PolarHBondContact O-N 3.35Å; N460-I463 PolarHBondContact OD1-N 3.1Å; I463-R466 PolarHBondContact O-N 3.41Å; I463-A467 WeakPolarHBondContact O-CB 3.44Å; I463-A467 PolarHBondContact O-N 3.05Å
464A91.5Very high89.4Confident19 Ų1963.8 Ų63.816%0.15736%0.361CS..Hα-helixtrans-62.1-48-179.100000112N460 R466 A467 F468N460-A464 PolarHBondContact O-N 2.97Å; A464-R466 VanDerWaalsContact C-N 3.3Å; A464-R466 PolarHBondContact O-N 3.07Å; A464-A467 WeakPolarHBondContact O-CB 3.44Å; A464-A467 PolarHBondContact O-N 3.02Å; A464-A467 VanDerWaalsContact O-N 3.14Å; A464-F468 PolarHBondContact O-N 3.18Å
465G91.9Very high89.8Confident37 Ų3763.7 Ų63.738%0.38136%0.362SS..Hα-helixtrans-63.9-31.6176.800000113.5N461 V469N461-G465 PolarHBondContact O-N 2.89Å; G465-V469 WeakPolarHBondContact O-CG2 3.44Å; G465-V469 PolarHBondContact O-N 2.82Å
466R94.1Very high90.6Very high67 Ų6761 Ų6125%0.25334%0.343SS..Hα-helixtrans-75-36.3172.5-174.156.6174.7-156.9-8.5112.2E386 F390 C462 I463 A464 F468 V469 L470E386-R466 IonicContact OE1-CZ 3.25Å; E386-R466 IonicContact OE1-NH1 2.73Å; E386-R466 IonicContact OE1-NH2 2.91Å; E386-R466 PolarHBondContact OE1-NH2 2.82Å; E386-R466 IonicContact OE2-CZ 2.86Å; E386-R466 IonicContact OE2-NH1 2.99Å; E386-R466 IonicContact OE2-NH2 2.81Å; E386-R466 PolarHBondContact OE2-NH2 3.16Å; F390-R466 HydrophobicContact CD2-CB 4.45Å; F390-R466 HydrophobicContact CD2-CG 3.96Å; F390-R466 HydrophobicContact CE2-CB 4.26Å; F390-R466 HydrophobicContact CE2-CG 4.26Å; C462-R466 WeakPolarHBondContact O-CB 3.39Å; C462-R466 PolarHBondContact O-N 2.81Å; I463-R466 PolarHBondContact O-N 3.41Å; A464-R466 VanDerWaalsContact C-N 3.3Å; A464-R466 PolarHBondContact O-N 3.07Å; R466-F468 VanDerWaalsContact C-N 3.32Å; R466-F468 PolarHBondContact O-N 3.11Å; R466-V469 PolarHBondContact O-N 3.08Å; R466-L470 HydrophobicContact CG-CD1 4.11Å; R466-L470 HydrophobicContact CG-CG 4.44Å; R466-L470 WeakPolarHBondContact O-CG 3.43Å; R466-L470 PolarHBondContact O-N 3.22Å
467A95.3Very high91.3Very high0 Ų055 Ų550%031%0.31CS..Hα-helixtrans-61.5-40.8173.300000111.4F390 L448 I451 N452 I463 A464 L470 C471F390-A467 HydrophobicContact CE1-CB 4.48Å; F390-A467 HydrophobicContact CE2-CB 4.42Å; F390-A467 HydrophobicContact CZ-CB 3.85Å; L448-A467 HydrophobicContact CD2-CB 4.17Å; I451-A467 HydrophobicContact CB-CB 4.02Å; I451-A467 HydrophobicContact CG2-CB 3.62Å; N452-A467 HydrophobicContact CB-CB 4.45Å; I463-A467 WeakPolarHBondContact O-CB 3.44Å; I463-A467 PolarHBondContact O-N 3.05Å; A464-A467 WeakPolarHBondContact O-CB 3.44Å; A464-A467 PolarHBondContact O-N 3.02Å; A464-A467 VanDerWaalsContact O-N 3.14Å; A467-L470 PolarHBondContact O-N 2.67Å; A467-C471 VanDerWaalsContact O-CB 3.23Å; A467-C471 WeakPolarHBondContact O-CB 3.47Å; A467-C471 PolarHBondContact O-N 3.05Å
468F94.5Very high92.2Very high114 Ų11451.5 Ų51.550%0.529%0.287SS..Hα-helixtrans-56.7-49.1172.9178.3-106.4000113.1N452 A464 R466 C471 S472N452-F468 HydrophobicContact CB-CB 4.35Å; N452-F468 WeakPolarHBondContact OD1-CB 3.01Å; A464-F468 PolarHBondContact O-N 3.18Å; R466-F468 VanDerWaalsContact C-N 3.32Å; R466-F468 PolarHBondContact O-N 3.11Å; F468-C471 PolarHBondContact O-N 3.44Å; F468-S472 WeakPolarHBondContact O-CB 3.37Å; F468-S472 PolarHBondContact O-N 2.67Å; F468-S472 PolarHBondContact O-OG 2.92Å
469V95.8Very high92.7Very high74 Ų7447 Ų4745%0.44827%0.271SS..Hα-helixtrans-64-43.8179.61720000111G465 R466 S472 A473G465-V469 WeakPolarHBondContact O-CG2 3.44Å; G465-V469 PolarHBondContact O-N 2.82Å; R466-V469 PolarHBondContact O-N 3.08Å; V469-S472 PolarHBondContact O-N 3.47Å; V469-A473 PolarHBondContact O-N 3Å
470L96.4Very high93.1Very high1 Ų146.2 Ų46.21%0.00527%0.268CS..Hα-helixtrans-67.6-40.6177.8-66.9173.6000112E386 V387 F390 L448 R466 A467 S472 A473 V474E386-L470 HydrophobicContact CB-CD2 3.84Å; V387-L470 HydrophobicContact CG2-CB 4.31Å; V387-L470 HydrophobicContact CG2-CD1 4.49Å; V387-L470 HydrophobicContact CG2-CD2 4.1Å; F390-L470 HydrophobicContact CB-CD1 3.5Å; F390-L470 HydrophobicContact CD1-CD1 4.22Å; F390-L470 HydrophobicContact CD2-CD1 3.85Å; F390-L470 HydrophobicContact CG-CD1 3.59Å; L448-L470 HydrophobicContact CD1-CB 4.06Å; L448-L470 HydrophobicContact CD2-CB 4.22Å; R466-L470 HydrophobicContact CG-CD1 4.11Å; R466-L470 HydrophobicContact CG-CG 4.44Å; R466-L470 WeakPolarHBondContact O-CG 3.43Å; R466-L470 PolarHBondContact O-N 3.22Å; A467-L470 PolarHBondContact O-N 2.67Å; L470-S472 VanDerWaalsContact C-N 3.33Å; L470-S472 PolarHBondContact O-N 3.04Å; L470-A473 PolarHBondContact O-N 3.46Å; L470-A473 VanDerWaalsContact O-N 3.16Å; L470-V474 WeakPolarHBondContact O-CG2 3.47Å; L470-V474 PolarHBondContact O-N 2.9Å
471C95.4Very high93.5Very high15 Ų1542.1 Ų42.110%0.10125%0.246CC..Hα-helixtrans-58.6-46.5173.7-165.30000110.7L448 A467 F468 A473 V474 T475L448-C471 HydrophobicContact CB-CB 3.83Å; A467-C471 VanDerWaalsContact O-CB 3.23Å; A467-C471 WeakPolarHBondContact O-CB 3.47Å; A467-C471 PolarHBondContact O-N 3.05Å; F468-C471 PolarHBondContact O-N 3.44Å; C471-A473 PolarHBondContact O-N 3.09Å; C471-V474 PolarHBondContact O-N 3.14Å; C471-T475 WeakPolarHBondContact O-CB 3.46Å; C471-T475 WeakPolarHBondContact O-CG2 3.4Å; C471-T475 PolarHBondContact O-N 2.81Å; C471-T475 PolarHBondContact O-OG1 3.16Å
472S93.1Very high93.9Very high59 Ų5935.4 Ų35.441%0.41321%0.21SC..Hα-helixtrans-61.2-31.1176.8-57.40000113.1F468 V469 L470F468-S472 WeakPolarHBondContact O-CB 3.37Å; F468-S472 PolarHBondContact O-N 2.67Å; F468-S472 PolarHBondContact O-OG 2.92Å; V469-S472 PolarHBondContact O-N 3.47Å; L470-S472 VanDerWaalsContact C-N 3.33Å; L470-S472 PolarHBondContact O-N 3.04Å
473A94.7Very high94.4Very high29 Ų2930.4 Ų30.424%0.2418%0.176CC..Hα-helixtrans-78.8-46177.200000112.5T383 V469 L470 C471 T475 D476 F479T383-A473 HydrophobicContact CG2-CB 3.75Å; V469-A473 PolarHBondContact O-N 3Å; L470-A473 PolarHBondContact O-N 3.46Å; L470-A473 VanDerWaalsContact O-N 3.16Å; C471-A473 PolarHBondContact O-N 3.09Å; A473-T475 PolarHBondContact O-N 3.18Å; A473-D476 PolarHBondContact O-N 3.32Å; A473-F479 WeakPolarHBondContact O-CB 3.49Å
474V95.1Very high94.7Very high1 Ų128.4 Ų28.41%0.00617%0.166CC..Hα-helixtrans-74.8-13.8179.4-57.50000113.7T383 V387 L441 V445 L448 L470 C471 F479T383-V474 HydrophobicContact CG2-CG1 3.84Å; V387-V474 HydrophobicContact CG2-CG1 3.89Å; L441-V474 HydrophobicContact CD1-CB 4.34Å; V445-V474 HydrophobicContact CG2-CG2 3.85Å; L448-V474 HydrophobicContact CD1-CG2 4.08Å; L470-V474 WeakPolarHBondContact O-CG2 3.47Å; L470-V474 PolarHBondContact O-N 2.9Å; C471-V474 PolarHBondContact O-N 3.14Å; V474-F479 HydrophobicContact CB-CD1 4.19Å; V474-F479 HydrophobicContact CB-CE1 3.88Å; V474-F479 HydrophobicContact CB-CZ 4.44Å; V474-F479 HydrophobicContact CG1-CE1 3.92Å; V474-F479 HydrophobicContact CG1-CZ 3.97Å
475T93.3Very high95Very high39 Ų3927.5 Ų27.524%0.23916%0.159CC..THydrogen-bonded Turntrans-95.54171.757.30000113.8V445 C471 A473 I548V445-T475 HydrophobicContact CB-CG2 4.43Å; V445-T475 HydrophobicContact CG1-CG2 3.81Å; V445-T475 HydrophobicContact CG2-CG2 3.71Å; C471-T475 WeakPolarHBondContact O-CB 3.46Å; C471-T475 WeakPolarHBondContact O-CG2 3.4Å; C471-T475 PolarHBondContact O-N 2.81Å; C471-T475 PolarHBondContact O-OG1 3.16Å; A473-T475 PolarHBondContact O-N 3.18Å; T475-I548 HydrophobicContact CG2-CD1 3.9Å; T475-I548 HydrophobicContact CG2-CG1 4.41Å; T475-I548 VanDerWaalsContact O-CG2 3.22Å; T475-I548 WeakPolarHBondContact O-CG2 3.39Å
476D92.3Very high95.3Very high70 Ų7025.8 Ų25.837%0.37414%0.141SC..  trans-74138.7170.4-163.5-2.2000110.6A473 D478 F479 I480A473-D476 PolarHBondContact O-N 3.32Å; D476-D478 VanDerWaalsContact C-N 3.29Å; D476-D478 PolarHBondContact O-N 3.18Å; D476-D478 PolarHBondContact OD1-N 2.86Å; D476-F479 HydrophobicContact CB-CB 4.38Å; D476-F479 WeakPolarHBondContact O-CB 3.17Å; D476-F479 PolarHBondContact O-N 2.81Å; D476-F479 VanDerWaalsContact O-N 3.16Å; D476-I480 WeakPolarHBondContact O-CG1 3.47Å; D476-I480 PolarHBondContact O-N 3.47Å; D476-I480 VanDerWaalsContact O-N 3.09Å
477F92.4Very high95.5Very high5 Ų524.7 Ų24.72%0.02214%0.138CC..Hα-helixtrans-68.4-31.9179.1-169.1-92.7000111.6F479 I480 V481 F536 A539 A543 M550 Y574F477-F479 PolarHBondContact O-N 3.2Å; F477-I480 PolarHBondContact O-N 3.04Å; F477-V481 HydrophobicContact CD1-CB 4.47Å; F477-V481 HydrophobicContact CD1-CG1 4.43Å; F477-V481 HydrophobicContact CE1-CB 3.95Å; F477-V481 HydrophobicContact CE1-CG1 4.27Å; F477-V481 HydrophobicContact CE1-CG2 4.48Å; F477-V481 HydrophobicContact CZ-CB 4.34Å; F477-V481 WeakPolarHBondContact O-CG1 3.48Å; F477-V481 PolarHBondContact O-N 3.12Å; F477-F536 AromaticContact CE1-CE2 3.81Å; F477-F536 HydrophobicContact CE1-CE2 3.81Å; F477-F536 HydrophobicContact CE1-CZ 4.46Å; F477-F536 AromaticContact CZ-CE2 3.94Å; F477-F536 HydrophobicContact CZ-CE2 3.94Å; F477-F536 HydrophobicContact CZ-CZ 4.41Å; F477-A539 HydrophobicContact CE2-CB 4.37Å; F477-A539 HydrophobicContact CZ-CB 4.1Å; F477-A543 HydrophobicContact CD2-CB 3.8Å; F477-A543 HydrophobicContact CE2-CB 3.91Å; F477-M550 HydrophobicContact CD2-CG 3.79Å; F477-M550 HydrophobicContact CE1-CE 4.03Å; F477-M550 HydrophobicContact CE2-CE 3.95Å; F477-M550 HydrophobicContact CE2-CG 3.93Å; F477-M550 HydrophobicContact CE2-SD 4.45Å; F477-M550 HydrophobicContact CG-CG 4.27Å; F477-M550 HydrophobicContact CZ-CE 3.65Å; F477-Y574 AromaticContact CD1-CE2 3.96Å; F477-Y574 HydrophobicContact CD1-CE2 3.96Å; F477-Y574 AromaticContact CD1-CZ 3.98Å; F477-Y574 HydrophobicContact CE1-CD2 4.35Å; F477-Y574 AromaticContact CE1-CE2 3.77Å; F477-Y574 HydrophobicContact CE1-CE2 3.77Å
478D92.6Very high95.6Very high51 Ų5125.8 Ų25.827%0.27314%0.144SC..Hα-helixtrans-58.8-36.9172.1-85-5.1000111.6D476 T482 P553 Y574D476-D478 VanDerWaalsContact C-N 3.29Å; D476-D478 PolarHBondContact O-N 3.18Å; D476-D478 PolarHBondContact OD1-N 2.86Å; D478-T482 VanDerWaalsContact O-CB 3.25Å; D478-T482 WeakPolarHBondContact O-CB 3.33Å; D478-T482 PolarHBondContact O-N 3.29Å; D478-T482 PolarHBondContact O-OG1 3.14Å; D478-P553 WeakPolarHBondContact OD1-CG 3.47Å; D478-Y574 WeakPolarHBondContact OD1-CE1 3.21Å; D478-Y574 VanDerWaalsContact OD1-CZ 3.3Å; D478-Y574 PolarHBondContact OD1-OH 2.66Å
479F95.4Very high95.7Very high12 Ų1220.4 Ų20.45%0.05312%0.12CC..Hα-helixtrans-69.2-50173.8178.3-95.3000111.3A380 T383 I384 L437 L441 A473 V474 D476 F477 V481 T482 I483A380-F479 HydrophobicContact CB-CD2 3.82Å; A380-F479 HydrophobicContact CB-CE2 4.02Å; T383-F479 HydrophobicContact CG2-CD2 4.18Å; T383-F479 HydrophobicContact CG2-CE2 3.81Å; T383-F479 HydrophobicContact CG2-CZ 4.39Å; I384-F479 HydrophobicContact CG1-CE2 4.08Å; I384-F479 HydrophobicContact CG1-CZ 4.07Å; L437-F479 HydrophobicContact CD2-CZ 4.22Å; L441-F479 HydrophobicContact CD1-CE1 4.12Å; A473-F479 WeakPolarHBondContact O-CB 3.49Å; V474-F479 HydrophobicContact CB-CD1 4.19Å; V474-F479 HydrophobicContact CB-CE1 3.88Å; V474-F479 HydrophobicContact CB-CZ 4.44Å; V474-F479 HydrophobicContact CG1-CE1 3.92Å; V474-F479 HydrophobicContact CG1-CZ 3.97Å; D476-F479 HydrophobicContact CB-CB 4.38Å; D476-F479 WeakPolarHBondContact O-CB 3.17Å; D476-F479 PolarHBondContact O-N 2.81Å; D476-F479 VanDerWaalsContact O-N 3.16Å; F477-F479 PolarHBondContact O-N 3.2Å; F479-V481 PolarHBondContact O-N 2.88Å; F479-T482 WeakPolarHBondContact O-CB 3.43Å; F479-T482 PolarHBondContact O-N 2.92Å; F479-I483 HydrophobicContact CD1-CD1 4.36Å; F479-I483 HydrophobicContact CD1-CG2 4.47Å; F479-I483 HydrophobicContact CD2-CG2 4.45Å; F479-I483 HydrophobicContact CE1-CD1 3.87Å; F479-I483 HydrophobicContact CE1-CG1 4.49Å; F479-I483 HydrophobicContact CE1-CG2 4.11Å; F479-I483 HydrophobicContact CE2-CG2 4.07Å; F479-I483 HydrophobicContact CZ-CG2 3.89Å; F479-I483 PolarHBondContact O-N 2.91Å
480I96.1Very high95.8Very high0 Ų017 Ų170%010%0.099CC..Hα-helixtrans-60.1-49.3-176-65.7173.8000111.7L441 D476 F477 T482 I483 V484 A539 L542 A543 I548L441-I480 HydrophobicContact CD2-CD1 4.34Å; L441-I480 HydrophobicContact CD2-CG1 4.09Å; D476-I480 WeakPolarHBondContact O-CG1 3.47Å; D476-I480 PolarHBondContact O-N 3.47Å; D476-I480 VanDerWaalsContact O-N 3.09Å; F477-I480 PolarHBondContact O-N 3.04Å; I480-T482 VanDerWaalsContact C-N 3.31Å; I480-T482 PolarHBondContact O-N 3.32Å; I480-I483 VanDerWaalsContact O-CG1 3.23Å; I480-I483 WeakPolarHBondContact O-CG1 3.22Å; I480-I483 PolarHBondContact O-N 2.98Å; I480-V484 VanDerWaalsContact O-CG2 3.31Å; I480-V484 WeakPolarHBondContact O-CG2 3.13Å; I480-V484 PolarHBondContact O-N 3.21Å; I480-V484 VanDerWaalsContact O-N 3.14Å; I480-A539 HydrophobicContact CG2-CB 4.25Å; I480-L542 HydrophobicContact CG2-CB 4.22Å; I480-A543 HydrophobicContact CD1-CB 4.3Å; I480-I548 HydrophobicContact CD1-CD1 3.47Å; I480-I548 VanDerWaalsContact CD1-CD1 3.47Å
481V96Very high95.8Very high0 Ų019.6 Ų19.60%012%0.118CC..Hα-helixtrans-65.8-35.6178.872.10000111.6F477 F479 V484 V485 F536 A539 Y574 L578F477-V481 HydrophobicContact CD1-CB 4.47Å; F477-V481 HydrophobicContact CD1-CG1 4.43Å; F477-V481 HydrophobicContact CE1-CB 3.95Å; F477-V481 HydrophobicContact CE1-CG1 4.27Å; F477-V481 HydrophobicContact CE1-CG2 4.48Å; F477-V481 HydrophobicContact CZ-CB 4.34Å; F477-V481 WeakPolarHBondContact O-CG1 3.48Å; F477-V481 PolarHBondContact O-N 3.12Å; F479-V481 PolarHBondContact O-N 2.88Å; V481-V484 PolarHBondContact O-N 3.09Å; V481-V485 HydrophobicContact CG2-CG2 4.48Å; V481-V485 VanDerWaalsContact O-CG2 3.3Å; V481-V485 WeakPolarHBondContact O-CG2 3.42Å; V481-V485 PolarHBondContact O-N 3.34Å; V481-F536 HydrophobicContact CG2-CD2 4.32Å; V481-A539 HydrophobicContact CB-CB 4.06Å; V481-A539 HydrophobicContact CG2-CB 4.09Å; V481-Y574 HydrophobicContact CG1-CD1 3.65Å; V481-Y574 HydrophobicContact CG1-CE1 3.62Å; V481-Y574 HydrophobicContact CG1-CG 4.15Å; V481-Y574 HydrophobicContact CG2-CG 4.32Å; V481-L578 HydrophobicContact CG1-CD2 3.9Å; V481-L578 HydrophobicContact CG2-CD2 4.26Å
482T97.1Very high95.8Very high4 Ų422.2 Ų22.23%0.02513%0.127CC..Hα-helixtrans-61.7-47.9175.4-63.10000112.1V377 A380 D478 F479 I480 V484 V485 L486 L578V377-T482 HydrophobicContact CB-CG2 4.39Å; V377-T482 HydrophobicContact CG2-CG2 3.9Å; A380-T482 HydrophobicContact CB-CG2 3.64Å; D478-T482 VanDerWaalsContact O-CB 3.25Å; D478-T482 WeakPolarHBondContact O-CB 3.33Å; D478-T482 PolarHBondContact O-N 3.29Å; D478-T482 PolarHBondContact O-OG1 3.14Å; F479-T482 WeakPolarHBondContact O-CB 3.43Å; F479-T482 PolarHBondContact O-N 2.92Å; I480-T482 VanDerWaalsContact C-N 3.31Å; I480-T482 PolarHBondContact O-N 3.32Å; T482-V484 VanDerWaalsContact C-N 3.32Å; T482-V484 PolarHBondContact O-N 3.22Å; T482-V485 PolarHBondContact O-N 2.95Å; T482-L486 HydrophobicContact CG2-CD1 3.91Å; T482-L486 WeakPolarHBondContact O-CB 3.33Å; T482-L486 VanDerWaalsContact O-CG 3.29Å; T482-L486 WeakPolarHBondContact O-CG 3.28Å; T482-L486 PolarHBondContact O-N 3.28Å; T482-L578 HydrophobicContact CG2-CD1 4.33Å
483I97.4Very high96Very high0 Ų019.4 Ų19.40%011%0.108CC..Hα-helixtrans-70.3-29.1-178.563.9164.8000112.7A380 I384 L437 V438 L441 F479 I480 K487A380-I483 HydrophobicContact CB-CG2 4.37Å; I384-I483 HydrophobicContact CD1-CG2 4.16Å; L437-I483 HydrophobicContact CD2-CB 4.03Å; L437-I483 HydrophobicContact CD2-CD1 3.98Å; L437-I483 HydrophobicContact CD2-CG2 3.63Å; L437-I483 HydrophobicContact CG-CD1 3.86Å; V438-I483 HydrophobicContact CG2-CD1 3.95Å; V438-I483 HydrophobicContact CG2-CG1 4.15Å; L441-I483 HydrophobicContact CD1-CD1 4.34Å; L441-I483 HydrophobicContact CD2-CD1 4.39Å; F479-I483 HydrophobicContact CD1-CD1 4.36Å; F479-I483 HydrophobicContact CD1-CG2 4.47Å; F479-I483 HydrophobicContact CD2-CG2 4.45Å; F479-I483 HydrophobicContact CE1-CD1 3.87Å; F479-I483 HydrophobicContact CE1-CG1 4.49Å; F479-I483 HydrophobicContact CE1-CG2 4.11Å; F479-I483 HydrophobicContact CE2-CG2 4.07Å; F479-I483 HydrophobicContact CZ-CG2 3.89Å; F479-I483 PolarHBondContact O-N 2.91Å; I480-I483 VanDerWaalsContact O-CG1 3.23Å; I480-I483 WeakPolarHBondContact O-CG1 3.22Å; I480-I483 PolarHBondContact O-N 2.98Å; I483-K487 VanDerWaalsContact O-CB 3.25Å; I483-K487 WeakPolarHBondContact O-CB 3.07Å; I483-K487 PolarHBondContact O-N 3.19Å
484V98.1Very high96Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-71.8-43.7175.1171.10000111.6V438 I480 V481 T482 K487 N488 W535 E538 A539 L542V438-V484 HydrophobicContact CG2-CG2 4.18Å; I480-V484 VanDerWaalsContact O-CG2 3.31Å; I480-V484 WeakPolarHBondContact O-CG2 3.13Å; I480-V484 PolarHBondContact O-N 3.21Å; I480-V484 VanDerWaalsContact O-N 3.14Å; V481-V484 PolarHBondContact O-N 3.09Å; T482-V484 VanDerWaalsContact C-N 3.32Å; T482-V484 PolarHBondContact O-N 3.22Å; V484-K487 WeakPolarHBondContact O-CB 3.35Å; V484-K487 PolarHBondContact O-N 3.1Å; V484-N488 PolarHBondContact O-N 3.34Å; V484-N488 PolarHBondContact O-ND2 3.45Å; V484-W535 HydrophobicContact CG1-CB 4.34Å; V484-W535 VanDerWaalsContact CG1-O 3.29Å; V484-W535 WeakPolarHBondContact CG1-O 3.32Å; V484-E538 HydrophobicContact CG1-CB 3.94Å; V484-E538 HydrophobicContact CG1-CG 3.87Å; V484-E538 HydrophobicContact CG2-CG 4.35Å; V484-A539 HydrophobicContact CB-CB 4.3Å; V484-A539 HydrophobicContact CG1-CB 4.41Å; V484-A539 HydrophobicContact CG2-CB 4.21Å; V484-L542 HydrophobicContact CG2-CD1 3.52Å
485V98.3Very high96Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-60.4-47.6172.8171.40000110.3V481 T482 K487 N488 V489 W535 L578 S579 T582V481-V485 HydrophobicContact CG2-CG2 4.48Å; V481-V485 VanDerWaalsContact O-CG2 3.3Å; V481-V485 WeakPolarHBondContact O-CG2 3.42Å; V481-V485 PolarHBondContact O-N 3.34Å; T482-V485 PolarHBondContact O-N 2.95Å; V485-K487 PolarHBondContact O-N 2.94Å; V485-N488 PolarHBondContact O-N 2.84Å; V485-V489 HydrophobicContact CG1-CG2 4.16Å; V485-V489 WeakPolarHBondContact O-CB 3.5Å; V485-V489 VanDerWaalsContact O-CG2 3.31Å; V485-V489 WeakPolarHBondContact O-CG2 3.4Å; V485-V489 PolarHBondContact O-N 2.97Å; V485-W535 HydrophobicContact CG1-CE3 4.31Å; V485-W535 HydrophobicContact CG1-CZ3 4.37Å; V485-W535 HydrophobicContact CG2-CE3 4.12Å; V485-L578 HydrophobicContact CB-CD2 4.32Å; V485-L578 HydrophobicContact CB-CG 4.42Å; V485-L578 HydrophobicContact CG1-CG 4.35Å; V485-L578 HydrophobicContact CG2-CD2 3.93Å; V485-L578 HydrophobicContact CG2-CG 4.26Å; V485-S579 WeakPolarHBondContact CG2-OG 3.13Å; V485-T582 HydrophobicContact CG1-CG2 4.33Å
486L97.9Very high96.1Very high0 Ų023.5 Ų23.50%013%0.127CC..Hα-helixtrans-61.2-44.7177.3-70.2169.5000112.4A369 V377 F434 T482 N488 L490 T582A369-L486 HydrophobicContact CB-CD2 4.1Å; V377-L486 HydrophobicContact CG1-CD1 4.04Å; V377-L486 HydrophobicContact CG1-CD2 4.1Å; V377-L486 HydrophobicContact CG2-CD1 4.3Å; V377-L486 HydrophobicContact CG2-CD2 4.15Å; V377-L486 HydrophobicContact CG2-CG 4.41Å; F434-L486 HydrophobicContact CD1-CB 3.83Å; F434-L486 HydrophobicContact CD1-CD1 4.11Å; F434-L486 HydrophobicContact CD2-CB 4.28Å; F434-L486 HydrophobicContact CE1-CB 4.1Å; F434-L486 HydrophobicContact CE1-CD1 3.68Å; F434-L486 HydrophobicContact CE1-CG 4.48Å; F434-L486 HydrophobicContact CG-CB 3.94Å; F434-L486 HydrophobicContact CZ-CB 4.45Å; F434-L486 HydrophobicContact CZ-CD1 4.19Å; T482-L486 HydrophobicContact CG2-CD1 3.91Å; T482-L486 WeakPolarHBondContact O-CB 3.33Å; T482-L486 VanDerWaalsContact O-CG 3.29Å; T482-L486 WeakPolarHBondContact O-CG 3.28Å; T482-L486 PolarHBondContact O-N 3.28Å; L486-N488 PolarHBondContact O-N 3.14Å; L486-L490 HydrophobicContact CB-CD1 4.34Å; L486-L490 HydrophobicContact CD2-CD1 4.17Å; L486-L490 WeakPolarHBondContact O-CB 3.5Å; L486-L490 WeakPolarHBondContact O-CG 3.42Å; L486-L490 PolarHBondContact O-N 3.22Å; L486-T582 HydrophobicContact CD2-CG2 4.18Å
487K97.8Very high96.2Very high44 Ų4420.2 Ų20.219%0.19111%0.109CC..Hα-helixtrans-51.9-52.7172.9162.9-176.4165.1-82.20111.3F434 V438 I483 V484 V485 S491 E538F434-K487 HydrophobicContact CB-CB 3.97Å; V438-K487 HydrophobicContact CB-CD 3.91Å; V438-K487 HydrophobicContact CG1-CD 4.04Å; V438-K487 HydrophobicContact CG2-CB 4.44Å; V438-K487 HydrophobicContact CG2-CD 3.81Å; I483-K487 VanDerWaalsContact O-CB 3.25Å; I483-K487 WeakPolarHBondContact O-CB 3.07Å; I483-K487 PolarHBondContact O-N 3.19Å; V484-K487 WeakPolarHBondContact O-CB 3.35Å; V484-K487 PolarHBondContact O-N 3.1Å; V485-K487 PolarHBondContact O-N 2.94Å; K487-S491 PolarHBondContact O-N 2.94Å; K487-E538 VanDerWaalsContact CE-OE1 3.29Å; K487-E538 WeakPolarHBondContact CE-OE1 3.38Å; K487-E538 IonicContact NZ-OE1 3.2Å; K487-E538 PolarHBondContact NZ-OE1 2.96Å; K487-E538 IonicContact NZ-OE2 3.94Å; K487-E538 PolarHBondContact NZ-OE2 3.25Å
488N98Very high96.3Very high24 Ų2426.8 Ų26.813%0.12814%0.137CC..Hα-helixtrans-76.3-41.6-170.3-69.2-33.7000112.1V484 V485 L486 S491 F492 W535 E538V484-N488 PolarHBondContact O-N 3.34Å; V484-N488 PolarHBondContact O-ND2 3.45Å; V485-N488 PolarHBondContact O-N 2.84Å; L486-N488 PolarHBondContact O-N 3.14Å; N488-S491 WeakPolarHBondContact O-CB 3.48Å; N488-S491 PolarHBondContact O-N 2.98Å; N488-S491 PolarHBondContact O-OG 3.37Å; N488-F492 WeakPolarHBondContact O-CD2 3.41Å; N488-F492 WeakPolarHBondContact O-CE2 3.14Å; N488-W535 HydrophobicContact CB-CD2 4.17Å; N488-W535 HydrophobicContact CB-CG 4.14Å; N488-W535 HydrophobicContact CB-CZ2 4.31Å; N488-E538 PolarHBondContact ND2-OE2 3.35Å
489V97.3Very high96.4Very high0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-67.7-40.2177.2-179.60000112V485 S491 F492 L521 W535 V583 I586V485-V489 HydrophobicContact CG1-CG2 4.16Å; V485-V489 WeakPolarHBondContact O-CB 3.5Å; V485-V489 VanDerWaalsContact O-CG2 3.31Å; V485-V489 WeakPolarHBondContact O-CG2 3.4Å; V485-V489 PolarHBondContact O-N 2.97Å; V489-S491 VanDerWaalsContact C-N 3.28Å; V489-S491 PolarHBondContact O-N 2.81Å; V489-F492 WeakPolarHBondContact O-CD2 3.45Å; V489-L521 HydrophobicContact CG1-CD2 4.26Å; V489-W535 HydrophobicContact CG2-CH2 3.39Å; V489-W535 HydrophobicContact CG2-CZ2 4.05Å; V489-W535 HydrophobicContact CG2-CZ3 3.66Å; V489-V583 HydrophobicContact CB-CG2 4.48Å; V489-V583 HydrophobicContact CG1-CG2 3.99Å; V489-V583 HydrophobicContact CG2-CG2 3.55Å; V489-I586 HydrophobicContact CG1-CD1 3.66Å
490L97.3Very high96.2Very high3 Ų327.2 Ų27.22%0.01614%0.14CC..Hα-helixtrans-82.8-3.3-179.1-61.2167.5000113.3N365 L368 A369 F434 L486 F492 T493 R494 I586N365-L490 HydrophobicContact CB-CB 4.12Å; N365-L490 HydrophobicContact CB-CD1 4.29Å; N365-L490 HydrophobicContact CB-CD2 4.42Å; N365-L490 PolarHBondContact ND2-O 3.37Å; N365-L490 WeakPolarHBondContact O-CD1 3.25Å; L368-L490 HydrophobicContact CB-CD2 3.81Å; L368-L490 HydrophobicContact CD1-CD2 3.9Å; A369-L490 HydrophobicContact CB-CD1 4.07Å; F434-L490 HydrophobicContact CD2-CD1 3.7Å; F434-L490 HydrophobicContact CE2-CD1 3.47Å; F434-L490 VanDerWaalsContact CE2-CD1 3.47Å; F434-L490 HydrophobicContact CZ-CD1 4.37Å; L486-L490 HydrophobicContact CB-CD1 4.34Å; L486-L490 HydrophobicContact CD2-CD1 4.17Å; L486-L490 WeakPolarHBondContact O-CB 3.5Å; L486-L490 WeakPolarHBondContact O-CG 3.42Å; L486-L490 PolarHBondContact O-N 3.22Å; L490-F492 VanDerWaalsContact C-N 3.31Å; L490-F492 PolarHBondContact O-N 2.99Å; L490-T493 WeakPolarHBondContact CA-OG1 3.49Å; L490-T493 PolarHBondContact O-N 2.96Å; L490-T493 PolarHBondContact O-OG1 3.3Å; L490-T493 VanDerWaalsContact O-OG1 3.04Å; L490-R494 PolarHBondContact O-N 3.43Å; L490-R494 VanDerWaalsContact O-N 3.09Å; L490-I586 HydrophobicContact CD2-CD1 3.74Å; L490-I586 HydrophobicContact CG-CD1 4.29Å
491S96.4Very high95.9Very high56 Ų5628.6 Ų28.639%0.39215%0.147SC..Hα-helixtrans-61.2-41.1171.673.60000111.5K487 N488 V489 T493 R494K487-S491 PolarHBondContact O-N 2.94Å; N488-S491 WeakPolarHBondContact O-CB 3.48Å; N488-S491 PolarHBondContact O-N 2.98Å; N488-S491 PolarHBondContact O-OG 3.37Å; V489-S491 VanDerWaalsContact C-N 3.28Å; V489-S491 PolarHBondContact O-N 2.81Å; S491-T493 VanDerWaalsContact C-N 3.28Å; S491-T493 PolarHBondContact O-N 3.09Å; S491-R494 VanDerWaalsContact O-CB 3.31Å; S491-R494 WeakPolarHBondContact O-CB 3.09Å; S491-R494 PolarHBondContact O-N 3.41Å
492F95.9Very high95.6Very high69 Ų6929.7 Ų29.730%0.30316%0.159SC..Hα-helixtrans-62.2-31.8177.7-62.2-87.2000112.8N488 V489 L490 L521 V524N488-F492 WeakPolarHBondContact O-CD2 3.41Å; N488-F492 WeakPolarHBondContact O-CE2 3.14Å; V489-F492 WeakPolarHBondContact O-CD2 3.45Å; L490-F492 VanDerWaalsContact C-N 3.31Å; L490-F492 PolarHBondContact O-N 2.99Å; F492-L521 HydrophobicContact CB-CD2 3.95Å; F492-L521 HydrophobicContact CB-CG 4.27Å; F492-L521 HydrophobicContact CD2-CD2 4.2Å; F492-L521 HydrophobicContact CG-CD2 4.22Å; F492-V524 HydrophobicContact CD2-CG2 4.46Å; F492-V524 HydrophobicContact CE1-CG2 4.04Å; F492-V524 HydrophobicContact CE2-CG2 3.68Å; F492-V524 HydrophobicContact CZ-CG2 3.43Å; F492-V524 VanDerWaalsContact CZ-CG2 3.43Å
493T96Very high95.3Very high0 Ų034.6 Ų34.60%018%0.181CC..Hα-helixtrans-91.4-11.4178.353.30000113.9N365 L368 L490 S491 A495 F496 G497 V517 L521 L590N365-T493 WeakPolarHBondContact OD1-CB 3.24Å; N365-T493 PolarHBondContact OD1-OG1 3.11Å; L368-T493 HydrophobicContact CD1-CG2 3.94Å; L490-T493 WeakPolarHBondContact CA-OG1 3.49Å; L490-T493 PolarHBondContact O-N 2.96Å; L490-T493 PolarHBondContact O-OG1 3.3Å; L490-T493 VanDerWaalsContact O-OG1 3.04Å; S491-T493 VanDerWaalsContact C-N 3.28Å; S491-T493 PolarHBondContact O-N 3.09Å; T493-A495 PolarHBondContact O-N 3.13Å; T493-F496 PolarHBondContact O-N 2.99Å; T493-G497 PolarHBondContact O-N 2.9Å; T493-V517 HydrophobicContact CG2-CG1 3.99Å; T493-L521 HydrophobicContact CG2-CD1 4.13Å; T493-L590 HydrophobicContact CG2-CD1 3.82Å
494R94.6Very high95.1Very high82 Ų8234.6 Ų34.631%0.30918%0.181SC..Hα-helixtrans-54.8-53-175.2-175.7-170.5-179.8175.514.9113.1N365 H431 D432 E435 L490 S491 K498N365-R494 WeakPolarHBondContact ND2-CA 3.28Å; H431-R494 HydrophobicContact CB-CG 4.14Å; D432-R494 VanDerWaalsContact CB-NH2 3.32Å; D432-R494 IonicContact OD2-CZ 2.66Å; D432-R494 IonicContact OD2-NE 3.79Å; D432-R494 IonicContact OD2-NH2 2.84Å; D432-R494 PolarHBondContact OD2-NH2 3.33Å; E435-R494 IonicContact OE1-CZ 2.79Å; E435-R494 IonicContact OE1-NH1 2.73Å; E435-R494 PolarHBondContact OE1-NH1 2.75Å; E435-R494 IonicContact OE1-NH2 2.84Å; E435-R494 PolarHBondContact OE1-NH2 3.13Å; E435-R494 IonicContact OE2-CZ 3.63Å; E435-R494 IonicContact OE2-NH1 2.8Å; E435-R494 PolarHBondContact OE2-NH1 3.46Å; E435-R494 IonicContact OE2-NH2 2.69Å; L490-R494 PolarHBondContact O-N 3.43Å; L490-R494 VanDerWaalsContact O-N 3.09Å; S491-R494 VanDerWaalsContact O-CB 3.31Å; S491-R494 WeakPolarHBondContact O-CB 3.09Å; S491-R494 PolarHBondContact O-N 3.41Å; R494-K498 WeakPolarHBondContact O-CB 3.36Å; R494-K498 PolarHBondContact O-N 2.99Å; R494-K498 VanDerWaalsContact O-N 3.12Å
495A95.3Very high94.9Very high65 Ų6534.9 Ų34.954%0.53718%0.183SC..Hα-helixtrans-71.7-41.2-177.300000112.1T493 K498 N499T493-A495 PolarHBondContact O-N 3.13Å; A495-K498 PolarHBondContact O-N 2.75Å; A495-N499 VanDerWaalsContact O-CG 3.24Å; A495-N499 PolarHBondContact O-N 3.34Å; A495-N499 VanDerWaalsContact O-N 3.07Å; A495-N499 PolarHBondContact O-OD1 3.2Å
496F95.6Very high94.7Very high9 Ų937.7 Ų37.74%0.03920%0.198CC..Hα-helixtrans-60.3-49.9176.6169.3-111.7000111.9L364 T493 K498 N499 L500 A510 L514 V517 L590 F594L364-F496 HydrophobicContact CD2-CD1 3.53Å; L364-F496 HydrophobicContact CD2-CE1 3.75Å; T493-F496 PolarHBondContact O-N 2.99Å; F496-K498 PolarHBondContact O-N 2.85Å; F496-N499 PolarHBondContact O-N 3.31Å; F496-L500 HydrophobicContact CD1-CD1 3.84Å; F496-L500 HydrophobicContact CD2-CD1 4.15Å; F496-L500 HydrophobicContact CD2-CG 4.49Å; F496-L500 HydrophobicContact CE1-CD1 3.47Å; F496-L500 VanDerWaalsContact CE1-CD1 3.47Å; F496-L500 HydrophobicContact CE2-CD1 3.81Å; F496-L500 HydrophobicContact CE2-CG 4.26Å; F496-L500 HydrophobicContact CG-CD1 4.17Å; F496-L500 HydrophobicContact CZ-CD1 3.45Å; F496-L500 VanDerWaalsContact CZ-CD1 3.45Å; F496-L500 HydrophobicContact CZ-CG 4.35Å; F496-L500 WeakPolarHBondContact O-CG 3.42Å; F496-L500 PolarHBondContact O-N 3.46Å; F496-A510 HydrophobicContact CD2-CB 4.21Å; F496-A510 HydrophobicContact CE2-CB 4.42Å; F496-A510 VanDerWaalsContact CE2-O 3.31Å; F496-A510 WeakPolarHBondContact CE2-O 3.3Å; F496-L514 HydrophobicContact CE1-CD1 4.17Å; F496-L514 HydrophobicContact CE2-CB 3.99Å; F496-L514 HydrophobicContact CE2-CD1 4.36Å; F496-L514 HydrophobicContact CZ-CB 4.08Å; F496-L514 HydrophobicContact CZ-CD1 3.65Å; F496-L514 HydrophobicContact CZ-CG 4.42Å; F496-V517 HydrophobicContact CB-CG2 3.72Å; F496-V517 HydrophobicContact CD1-CG1 4.31Å; F496-V517 HydrophobicContact CD1-CG2 4.31Å; F496-V517 HydrophobicContact CD2-CG2 3.96Å; F496-V517 HydrophobicContact CG-CG2 3.76Å; F496-L590 HydrophobicContact CE1-CD2 4.03Å; F496-F594 AromaticContact CE1-CE2 3.97Å; F496-F594 HydrophobicContact CE1-CE2 3.97Å; F496-F594 HydrophobicContact CE1-CZ 4.07Å; F496-F594 HydrophobicContact CZ-CD2 4.48Å; F496-F594 HydrophobicContact CZ-CE1 4.22Å; F496-F594 AromaticContact CZ-CE2 3.98Å; F496-F594 HydrophobicContact CZ-CE2 3.98Å; F496-F594 AromaticContact CZ-CZ 3.85Å; F496-F594 HydrophobicContact CZ-CZ 3.85Å
497G94.7Very high94.6Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-60.4-44.3175.700000112.9H431 T493 N499 L500 Q501H431-G497 PolarHBondContact CE1-O 2.59Å; T493-G497 PolarHBondContact O-N 2.9Å; G497-N499 VanDerWaalsContact C-N 3.26Å; G497-N499 PolarHBondContact O-N 2.93Å; G497-L500 PolarHBondContact O-N 2.57Å; G497-Q501 PolarHBondContact O-N 2.98Å; G497-Q501 VanDerWaalsContact O-N 3.13Å
498K93.8Very high94.5Very high143 Ų14335.9 Ų35.962%0.62219%0.19SC*.Hα-helixtrans-59.6-38.4177.8-175.3-176.5177-174.90112H431 R494 A495 F496 Q501 G502H431-K498 PolarHBondContact CE1-N 3.19Å; H431-K498 VanDerWaalsContact CE1-N 3.34Å; R494-K498 WeakPolarHBondContact O-CB 3.36Å; R494-K498 PolarHBondContact O-N 2.99Å; R494-K498 VanDerWaalsContact O-N 3.12Å; A495-K498 PolarHBondContact O-N 2.75Å; F496-K498 PolarHBondContact O-N 2.85Å; K498-Q501 CarbonylContact O-C 3.58Å; K498-G502 PolarHBondContact O-N 3.34Å; K498-G502 VanDerWaalsContact O-N 3.14Å
499N94.6Very high94.3Very high71 Ų7139.2 Ų39.238%0.3820%0.204SC..Hα-helixtrans-74.4-38.2178.4-65.8-3.1000111.8A495 F496 G497 Q501 G502 D506 V507 A510A495-N499 VanDerWaalsContact O-CG 3.24Å; A495-N499 PolarHBondContact O-N 3.34Å; A495-N499 VanDerWaalsContact O-N 3.07Å; A495-N499 PolarHBondContact O-OD1 3.2Å; F496-N499 PolarHBondContact O-N 3.31Å; G497-N499 VanDerWaalsContact C-N 3.26Å; G497-N499 PolarHBondContact O-N 2.93Å; N499-Q501 PolarHBondContact O-N 3.11Å; N499-G502 PolarHBondContact O-N 2.96Å; N499-G502 VanDerWaalsContact O-N 3.1Å; N499-D506 HydrophobicContact CB-CB 4.14Å; N499-D506 CarbonylContact O-C 3.51Å; N499-D506 VanDerWaalsContact O-C 3.23Å; N499-D506 VanDerWaalsContact O-CB 3.3Å; N499-D506 WeakPolarHBondContact O-CB 3.39Å; N499-V507 PolarHBondContact O-N 2.88Å; N499-V507 VanDerWaalsContact O-N 3.16Å; N499-A510 HydrophobicContact CB-CB 3.84Å
500L92.8Very high94.2Very high1 Ų139.3 Ų39.31%0.00521%0.205CC..Hα-helixtrans-61.4-23.3173.1-76.1166.2000114.2L358 L364 F496 G497 V507 A510 F594 L602L358-L500 HydrophobicContact CD2-CD1 4.22Å; L364-L500 HydrophobicContact CD2-CD1 4.16Å; F496-L500 HydrophobicContact CD1-CD1 3.84Å; F496-L500 HydrophobicContact CD2-CD1 4.15Å; F496-L500 HydrophobicContact CD2-CG 4.49Å; F496-L500 HydrophobicContact CE1-CD1 3.47Å; F496-L500 VanDerWaalsContact CE1-CD1 3.47Å; F496-L500 HydrophobicContact CE2-CD1 3.81Å; F496-L500 HydrophobicContact CE2-CG 4.26Å; F496-L500 HydrophobicContact CG-CD1 4.17Å; F496-L500 HydrophobicContact CZ-CD1 3.45Å; F496-L500 VanDerWaalsContact CZ-CD1 3.45Å; F496-L500 HydrophobicContact CZ-CG 4.35Å; F496-L500 WeakPolarHBondContact O-CG 3.42Å; F496-L500 PolarHBondContact O-N 3.46Å; G497-L500 PolarHBondContact O-N 2.57Å; L500-V507 HydrophobicContact CD2-CG1 4.1Å; L500-V507 VanDerWaalsContact O-CG2 3.3Å; L500-V507 WeakPolarHBondContact O-CG2 3.41Å; L500-A510 HydrophobicContact CD2-CB 3.88Å; L500-A510 HydrophobicContact CG-CB 3.79Å; L500-F594 HydrophobicContact CD1-CE1 3.99Å; L500-F594 HydrophobicContact CD1-CE2 4.44Å; L500-F594 HydrophobicContact CD1-CZ 3.47Å; L500-F594 VanDerWaalsContact CD1-CZ 3.47Å; L500-F594 HydrophobicContact CD2-CE1 3.97Å; L500-F594 HydrophobicContact CD2-CZ 4.31Å; L500-L602 HydrophobicContact CD2-CD1 4.13Å
501Q89.3Confident94Very high29 Ų2939.5 Ų39.514%0.13621%0.207CC..THydrogen-bonded Turntrans-113.519.4178.2-65171.3-53.400111.2L358 C359 C362 H431 G497 K498 N499L358-Q501 HydrophobicContact CD1-CG 4.17Å; C359-Q501 PolarHBondContact O-NE2 3.06Å; C362-Q501 PolarHBondContact O-NE2 2.66Å; H431-Q501 PolarHBondContact CE1-OE1 3.32Å; H431-Q501 PolarHBondContact NE2-OE1 3.1Å; G497-Q501 PolarHBondContact O-N 2.98Å; G497-Q501 VanDerWaalsContact O-N 3.13Å; K498-Q501 CarbonylContact O-C 3.58Å; N499-Q501 PolarHBondContact O-N 3.11Å
502G89.8Confident93.6Very high24 Ų2439.1 Ų39.125%0.24721%0.212CC..SBendtrans-93-146.2176.900000113.6K498 N499K498-G502 PolarHBondContact O-N 3.34Å; K498-G502 VanDerWaalsContact O-N 3.14Å; N499-G502 PolarHBondContact O-N 2.96Å; N499-G502 VanDerWaalsContact O-N 3.1Å
503Q90.3Very high93.5Very high106 Ų10638.6 Ų38.650%0.49522%0.217SC..  trans-75.7163.7172.9-64.5-169.9-8.800111.3S505 D506 V507Q503-S505 PolarHBondContact O-N 2.84Å; Q503-S505 VanDerWaalsContact O-N 3.11Å; Q503-D506 PolarHBondContact N-OD2 3.06Å; Q503-D506 WeakPolarHBondContact O-CA 3.36Å; Q503-D506 WeakPolarHBondContact O-CB 3.29Å; Q503-D506 PolarHBondContact O-N 3.16Å; Q503-V507 WeakPolarHBondContact O-CG2 3.48Å; Q503-V507 PolarHBondContact O-N 3.28Å; Q503-V507 VanDerWaalsContact O-N 3.16Å
504T93.6Very high93.5Very high1 Ų139 Ų391%0.00622%0.219CC..Hα-helixtrans-57.4-32-175.4-58.40000113.8F508 L605 V608 V611 I662 M690T504-F508 WeakPolarHBondContact O-CB 3.19Å; T504-F508 PolarHBondContact O-N 3.46Å; T504-L605 HydrophobicContact CG2-CB 3.9Å; T504-L605 HydrophobicContact CG2-CD1 4.21Å; T504-L605 HydrophobicContact CG2-CD2 3.96Å; T504-L605 HydrophobicContact CG2-CG 4.24Å; T504-V608 HydrophobicContact CG2-CB 4.16Å; T504-V608 HydrophobicContact CG2-CG1 4.43Å; T504-V608 HydrophobicContact CG2-CG2 3.9Å; T504-V611 HydrophobicContact CG2-CG2 4.37Å; T504-I662 HydrophobicContact CG2-CG1 4.38Å; T504-M690 HydrophobicContact CG2-CE 4.48Å
505S93.7Very high93.5Very high6 Ų640.3 Ų40.34%0.04224%0.236CC..Hα-helixtrans-64.9-37.517149.70000113.7Q503 F508 F509Q503-S505 PolarHBondContact O-N 2.84Å; Q503-S505 VanDerWaalsContact O-N 3.11Å; S505-F508 PolarHBondContact O-N 2.98Å; S505-F509 WeakPolarHBondContact O-CD2 3.28Å; S505-F509 PolarHBondContact O-N 3.48Å
506D94.9Very high93.6Very high58 Ų5840 Ų4031%0.3123%0.233SC..Hα-helixtrans-71.1-40.7-175.2-48.3-23000109.2N499 Q503 F509 A510N499-D506 HydrophobicContact CB-CB 4.14Å; N499-D506 CarbonylContact O-C 3.51Å; N499-D506 VanDerWaalsContact O-C 3.23Å; N499-D506 VanDerWaalsContact O-CB 3.3Å; N499-D506 WeakPolarHBondContact O-CB 3.39Å; Q503-D506 PolarHBondContact N-OD2 3.06Å; Q503-D506 WeakPolarHBondContact O-CA 3.36Å; Q503-D506 WeakPolarHBondContact O-CB 3.29Å; Q503-D506 PolarHBondContact O-N 3.16Å; D506-F509 PolarHBondContact O-N 3.13Å; D506-A510 WeakPolarHBondContact O-CB 3.5Å; D506-A510 PolarHBondContact O-N 3.33Å
507V95.3Very high93.6Very high3 Ų340.4 Ų40.42%0.01824%0.237CC..Hα-helixtrans-61.9-46.5173-165.80000111N499 L500 Q503 F509 A510 A511 L602 L605N499-V507 PolarHBondContact O-N 2.88Å; N499-V507 VanDerWaalsContact O-N 3.16Å; L500-V507 HydrophobicContact CD2-CG1 4.1Å; L500-V507 VanDerWaalsContact O-CG2 3.3Å; L500-V507 WeakPolarHBondContact O-CG2 3.41Å; Q503-V507 WeakPolarHBondContact O-CG2 3.48Å; Q503-V507 PolarHBondContact O-N 3.28Å; Q503-V507 VanDerWaalsContact O-N 3.16Å; V507-F509 PolarHBondContact O-N 2.81Å; V507-A510 PolarHBondContact O-N 3.1Å; V507-A511 PolarHBondContact O-N 2.84Å; V507-L602 HydrophobicContact CG1-CD1 4.33Å; V507-L602 HydrophobicContact CG1-CD2 3.74Å; V507-L605 HydrophobicContact CB-CD1 3.86Å; V507-L605 HydrophobicContact CG1-CD1 3.88Å
508F94.8Very high93.8Very high3 Ų341.8 Ų41.81%0.01324%0.244CC..Hα-helixtrans-59-44.8179173.9-91000112.8T504 S505 K603 L605 V611 L615 E621T504-F508 WeakPolarHBondContact O-CB 3.19Å; T504-F508 PolarHBondContact O-N 3.46Å; S505-F508 PolarHBondContact O-N 2.98Å; F508-K603 HydrophobicContact CE2-CD 4.46Å; F508-L605 HydrophobicContact CB-CB 4.18Å; F508-L605 HydrophobicContact CD2-CB 4.22Å; F508-V611 HydrophobicContact CB-CG1 4.16Å; F508-V611 HydrophobicContact CD1-CG1 3.6Å; F508-V611 HydrophobicContact CD2-CG1 4.03Å; F508-V611 HydrophobicContact CE1-CG1 4.02Å; F508-V611 HydrophobicContact CE2-CG1 4.38Å; F508-V611 HydrophobicContact CG-CG1 3.63Å; F508-V611 HydrophobicContact CZ-CG1 4.39Å; F508-L615 HydrophobicContact CE1-CD1 4.02Å; F508-L615 HydrophobicContact CE1-CD2 4.01Å; F508-L615 HydrophobicContact CE1-CG 4.3Å; F508-L615 HydrophobicContact CZ-CD1 3.76Å; F508-L615 HydrophobicContact CZ-CD2 4.26Å; F508-L615 HydrophobicContact CZ-CG 4.48Å; F508-E621 WeakPolarHBondContact CE2-OE2 3.48Å; F508-E621 WeakPolarHBondContact CZ-OE2 3.3Å
509F94.2Very high94Very high95 Ų9541.2 Ų41.242%0.41724%0.243SC..Hα-helixtrans-79-28.8177.8-70-57.9000113.3S505 D506 V507 G512 S513 Q614 L615S505-F509 WeakPolarHBondContact O-CD2 3.28Å; S505-F509 PolarHBondContact O-N 3.48Å; D506-F509 PolarHBondContact O-N 3.13Å; V507-F509 PolarHBondContact O-N 2.81Å; F509-G512 PolarHBondContact O-N 3.48Å; F509-S513 PolarHBondContact O-N 3.36Å; F509-S513 PolarHBondContact O-OG 3.45Å; F509-Q614 HydrophobicContact CE2-CB 4.29Å; F509-Q614 HydrophobicContact CZ-CB 4.2Å; F509-L615 HydrophobicContact CE1-CD2 4.44Å
510A94.8Very high94.1Very high1 Ų139.8 Ų39.81%0.00824%0.239CC..Hα-helixtrans-63.5-42.3172.400000111.1F496 N499 L500 D506 V507 G512 S513 L514F496-A510 HydrophobicContact CD2-CB 4.21Å; F496-A510 HydrophobicContact CE2-CB 4.42Å; F496-A510 VanDerWaalsContact CE2-O 3.31Å; F496-A510 WeakPolarHBondContact CE2-O 3.3Å; N499-A510 HydrophobicContact CB-CB 3.84Å; L500-A510 HydrophobicContact CD2-CB 3.88Å; L500-A510 HydrophobicContact CG-CB 3.79Å; D506-A510 WeakPolarHBondContact O-CB 3.5Å; D506-A510 PolarHBondContact O-N 3.33Å; V507-A510 PolarHBondContact O-N 3.1Å; A510-G512 PolarHBondContact O-N 2.93Å; A510-S513 WeakPolarHBondContact O-CA 3.38Å; A510-S513 WeakPolarHBondContact O-CB 3.49Å; A510-S513 PolarHBondContact O-N 2.97Å; A510-L514 PolarHBondContact O-N 3.4Å
511A92.8Very high94.4Very high8 Ų839.7 Ų39.77%0.06624%0.238CC..Hα-helixtrans-55.9-33.9174.500000113.1V507 S513 L599 L602 K603V507-A511 PolarHBondContact O-N 2.84Å; A511-S513 VanDerWaalsContact C-N 3.34Å; A511-L599 HydrophobicContact CB-CD2 4.21Å; A511-L602 HydrophobicContact CB-CB 3.74Å; A511-L602 HydrophobicContact CB-CD1 3.79Å; A511-L602 HydrophobicContact CB-CG 4.44Å; A511-K603 HydrophobicContact CB-CD 4.08Å
512G89.7Confident94.8Very high48 Ų4840.8 Ų40.850%0.49525%0.245SC..Hα-helixtrans-76.3-15.8172.800000114.9F509 A510F509-G512 PolarHBondContact O-N 3.48Å; A510-G512 PolarHBondContact O-N 2.93Å
513S93.1Very high95.2Very high58 Ų5843.7 Ų43.741%0.40625%0.252SS..Hα-helixtrans-94.1-11.4-178.1-560000114F509 A510 A511 T515 A516 V517F509-S513 PolarHBondContact O-N 3.36Å; F509-S513 PolarHBondContact O-OG 3.45Å; A510-S513 WeakPolarHBondContact O-CA 3.38Å; A510-S513 WeakPolarHBondContact O-CB 3.49Å; A510-S513 PolarHBondContact O-N 2.97Å; A511-S513 VanDerWaalsContact C-N 3.34Å; S513-T515 PolarHBondContact O-N 3.28Å; S513-T515 VanDerWaalsContact O-N 3.17Å; S513-A516 WeakPolarHBondContact O-CB 3.36Å; S513-A516 PolarHBondContact O-N 3.35Å; S513-V517 PolarHBondContact O-N 3.14Å
514L95.3Very high95.5Very high9 Ų938.7 Ų38.75%0.04723%0.229CC..Hα-helixtrans-52.3-39.6-176.7171.166.7000113.2F496 A510 A516 V517 L518 F594 L599F496-L514 HydrophobicContact CE1-CD1 4.17Å; F496-L514 HydrophobicContact CE2-CB 3.99Å; F496-L514 HydrophobicContact CE2-CD1 4.36Å; F496-L514 HydrophobicContact CZ-CB 4.08Å; F496-L514 HydrophobicContact CZ-CD1 3.65Å; F496-L514 HydrophobicContact CZ-CG 4.42Å; A510-L514 PolarHBondContact O-N 3.4Å; L514-A516 VanDerWaalsContact C-N 3.26Å; L514-A516 PolarHBondContact O-N 2.9Å; L514-V517 PolarHBondContact O-N 3.31Å; L514-L518 HydrophobicContact CD1-CD1 3.99Å; L514-L518 HydrophobicContact CD1-CG 3.94Å; L514-L518 HydrophobicContact CD2-CD1 4.41Å; L514-L518 HydrophobicContact CG-CD1 3.9Å; L514-L518 HydrophobicContact CG-CG 4.28Å; L514-L518 PolarHBondContact O-N 2.98Å; L514-F594 HydrophobicContact CD1-CD2 4.17Å; L514-F594 HydrophobicContact CD1-CG 4.35Å; L514-F594 HydrophobicContact CD2-CB 3.35Å; L514-F594 HydrophobicContact CD2-CD1 4.44Å; L514-F594 HydrophobicContact CD2-CD2 4.45Å; L514-F594 HydrophobicContact CD2-CG 3.85Å; L514-L599 HydrophobicContact CD2-CD1 4.05Å; L514-L599 HydrophobicContact CD2-CD2 4.02Å
515T94.8Very high95.7Very high109 Ų10940.8 Ų40.867%0.66924%0.239SC*.Hα-helixtrans-62.6-32.6-179.650.70000112.7S513 H519S513-T515 PolarHBondContact O-N 3.28Å; S513-T515 VanDerWaalsContact O-N 3.17Å; T515-H519 WeakPolarHBondContact O-CB 3.42Å; T515-H519 PolarHBondContact O-N 2.94Å
516A96.8Very high95.9Very high58 Ų5848 Ų4848%0.47927%0.272SS..Hα-helixtrans-72.9-41.6174.800000111.6S513 L514 H519 S520S513-A516 WeakPolarHBondContact O-CB 3.36Å; S513-A516 PolarHBondContact O-N 3.35Å; L514-A516 VanDerWaalsContact C-N 3.26Å; L514-A516 PolarHBondContact O-N 2.9Å; A516-H519 PolarHBondContact O-N 3.39Å; A516-S520 PolarHBondContact O-N 3.41Å; A516-S520 PolarHBondContact O-OG 2.8Å
517V97.2Very high96Very high18 Ų1849 Ų4911%0.10928%0.278CS..Hα-helixtrans-61.8-46176.3-179.10000110.8T493 F496 S513 L514 L521 L590T493-V517 HydrophobicContact CG2-CG1 3.99Å; F496-V517 HydrophobicContact CB-CG2 3.72Å; F496-V517 HydrophobicContact CD1-CG1 4.31Å; F496-V517 HydrophobicContact CD1-CG2 4.31Å; F496-V517 HydrophobicContact CD2-CG2 3.96Å; F496-V517 HydrophobicContact CG-CG2 3.76Å; S513-V517 PolarHBondContact O-N 3.14Å; L514-V517 PolarHBondContact O-N 3.31Å; V517-L521 HydrophobicContact CG1-CD1 4.18Å; V517-L521 WeakPolarHBondContact O-CG 3.47Å; V517-L521 PolarHBondContact O-N 3.19Å; V517-L521 VanDerWaalsContact O-N 3.08Å; V517-L590 HydrophobicContact CG1-CD1 4.4Å
518L97.8Very high96.1Very high28 Ų2849.7 Ų49.715%0.14728%0.281CS..Hα-helixtrans-61.3-44.1173.5-74.3173.9000111.1L514 S520 L521 N522 L590 K591L514-L518 HydrophobicContact CD1-CD1 3.99Å; L514-L518 HydrophobicContact CD1-CG 3.94Å; L514-L518 HydrophobicContact CD2-CD1 4.41Å; L514-L518 HydrophobicContact CG-CD1 3.9Å; L514-L518 HydrophobicContact CG-CG 4.28Å; L514-L518 PolarHBondContact O-N 2.98Å; L518-S520 PolarHBondContact O-N 2.73Å; L518-L521 PolarHBondContact O-N 3.2Å; L518-N522 PolarHBondContact O-N 3.08Å; L518-N522 PolarHBondContact O-ND2 3.22Å; L518-L590 HydrophobicContact CD2-CB 3.74Å; L518-L590 HydrophobicContact CD2-CD1 4.42Å; L518-K591 HydrophobicContact CD1-CG 4.4Å; L518-K591 HydrophobicContact CD2-CG 4.23Å
519H98Very high96.2Very high131 Ų13155.6 Ų55.661%0.60631%0.308SS*.Hα-helixtrans-59.1-49.4178.9-175.325.2000112.1T515 A516 L521 N522 E523T515-H519 WeakPolarHBondContact O-CB 3.42Å; T515-H519 PolarHBondContact O-N 2.94Å; A516-H519 PolarHBondContact O-N 3.39Å; H519-L521 VanDerWaalsContact C-N 3.33Å; H519-L521 PolarHBondContact O-N 2.89Å; H519-N522 PolarHBondContact O-N 2.82Å; H519-E523 PolarHBondContact O-N 3.29Å
520S97.9Very high96.3Very high41 Ų4154.7 Ų54.729%0.28731%0.311SS..Hα-helixtrans-63.6-34.2177.8-62.40000113.4A516 L518 E523 V524A516-S520 PolarHBondContact O-N 3.41Å; A516-S520 PolarHBondContact O-OG 2.8Å; L518-S520 PolarHBondContact O-N 2.73Å; S520-E523 WeakPolarHBondContact O-CB 3.3Å; S520-E523 PolarHBondContact O-N 3.08Å; S520-V524 WeakPolarHBondContact O-CG2 3.45Å; S520-V524 PolarHBondContact O-N 2.93Å
521L98Very high96.5Very high0 Ų057.7 Ų57.70%032%0.322CS..Hα-helixtrans-71.2-36.4174.5-72.3168.9000112.5V489 F492 T493 V517 L518 H519 V524 M525 I586 I587 L590V489-L521 HydrophobicContact CG1-CD2 4.26Å; F492-L521 HydrophobicContact CB-CD2 3.95Å; F492-L521 HydrophobicContact CB-CG 4.27Å; F492-L521 HydrophobicContact CD2-CD2 4.2Å; F492-L521 HydrophobicContact CG-CD2 4.22Å; T493-L521 HydrophobicContact CG2-CD1 4.13Å; V517-L521 HydrophobicContact CG1-CD1 4.18Å; V517-L521 WeakPolarHBondContact O-CG 3.47Å; V517-L521 PolarHBondContact O-N 3.19Å; V517-L521 VanDerWaalsContact O-N 3.08Å; L518-L521 PolarHBondContact O-N 3.2Å; H519-L521 VanDerWaalsContact C-N 3.33Å; H519-L521 PolarHBondContact O-N 2.89Å; L521-V524 PolarHBondContact O-N 3.49Å; L521-M525 PolarHBondContact O-N 3.22Å; L521-I586 HydrophobicContact CD1-CG2 4.17Å; L521-I587 HydrophobicContact CB-CD1 4.15Å; L521-I587 HydrophobicContact CB-CG1 3.66Å; L521-I587 WeakPolarHBondContact O-CD1 3.19Å; L521-L590 HydrophobicContact CD1-CD1 3.38Å
522N98.1Very high96.7Very high51 Ų5157.4 Ų57.427%0.27332%0.319SS..Hα-helixtrans-69.1-35.7173-71.6-94.7000111.1L518 H519 V524 M525 E526L518-N522 PolarHBondContact O-N 3.08Å; L518-N522 PolarHBondContact O-ND2 3.22Å; H519-N522 PolarHBondContact O-N 2.82Å; N522-V524 VanDerWaalsContact C-N 3.34Å; N522-V524 PolarHBondContact O-N 3.39Å; N522-M525 CarbonylContact O-C 3.59Å; N522-M525 PolarHBondContact O-N 2.96Å; N522-M525 VanDerWaalsContact O-N 3.1Å; N522-E526 WeakPolarHBondContact O-CB 3.29Å; N522-E526 WeakPolarHBondContact O-CG 3.27Å; N522-E526 PolarHBondContact O-N 3.13Å
523E97.9Very high97Very high86 Ų8660.4 Ų60.440%0.40232%0.321SS..Hα-helixtrans-59.1-42.5171.3-177.8-173.7169.700111.9H519 S520 M525 E526 N527H519-E523 PolarHBondContact O-N 3.29Å; S520-E523 WeakPolarHBondContact O-CB 3.3Å; S520-E523 PolarHBondContact O-N 3.08Å; E523-M525 VanDerWaalsContact C-N 3.32Å; E523-M525 PolarHBondContact O-N 3.49Å; E523-E526 PolarHBondContact O-N 3.34Å; E523-N527 PolarHBondContact O-N 3.21Å; E523-N527 VanDerWaalsContact O-N 3.13Å; E523-N527 PolarHBondContact O-ND2 3.41Å
524V97.6Very high97.2Very high0 Ų063.5 Ų63.50%033%0.327CS..Hα-helixtrans-62.1-38.4172.5169.70000111.9F492 S520 L521 N522 N527 I528 Y531 W535 V583F492-V524 HydrophobicContact CD2-CG2 4.46Å; F492-V524 HydrophobicContact CE1-CG2 4.04Å; F492-V524 HydrophobicContact CE2-CG2 3.68Å; F492-V524 HydrophobicContact CZ-CG2 3.43Å; F492-V524 VanDerWaalsContact CZ-CG2 3.43Å; S520-V524 WeakPolarHBondContact O-CG2 3.45Å; S520-V524 PolarHBondContact O-N 2.93Å; L521-V524 PolarHBondContact O-N 3.49Å; N522-V524 VanDerWaalsContact C-N 3.34Å; N522-V524 PolarHBondContact O-N 3.39Å; V524-N527 CarbonylContact O-C 3.47Å; V524-I528 HydrophobicContact CG1-CD1 4.43Å; V524-I528 WeakPolarHBondContact O-CA 3.36Å; V524-I528 PolarHBondContact O-N 2.99Å; V524-Y531 HydrophobicContact CB-CD2 4.24Å; V524-Y531 HydrophobicContact CB-CE2 4.25Å; V524-Y531 HydrophobicContact CG1-CD2 4.16Å; V524-Y531 HydrophobicContact CG1-CG 4.1Å; V524-Y531 HydrophobicContact CG2-CD1 4.32Å; V524-Y531 HydrophobicContact CG2-CD2 4.24Å; V524-Y531 HydrophobicContact CG2-CE1 4Å; V524-Y531 HydrophobicContact CG2-CE2 3.91Å; V524-Y531 HydrophobicContact CG2-CG 4.43Å; V524-W535 HydrophobicContact CG1-CH2 3.65Å; V524-W535 HydrophobicContact CG1-CZ2 3.89Å; V524-V583 HydrophobicContact CG1-CG1 4.45Å; V524-V583 HydrophobicContact CG1-CG2 4.38Å
525M97.6Very high97.4Very high45 Ų4563.7 Ų63.722%0.22233%0.327CS..Hα-helixtrans-72.2-41.1178.3-170.757.1-153.900112.8L521 N522 E523 N527 I528 V580 V583 E584 I587L521-M525 PolarHBondContact O-N 3.22Å; N522-M525 CarbonylContact O-C 3.59Å; N522-M525 PolarHBondContact O-N 2.96Å; N522-M525 VanDerWaalsContact O-N 3.1Å; E523-M525 VanDerWaalsContact C-N 3.32Å; E523-M525 PolarHBondContact O-N 3.49Å; M525-N527 PolarHBondContact O-N 2.99Å; M525-I528 WeakPolarHBondContact O-CB 3.26Å; M525-I528 WeakPolarHBondContact O-CG2 3.36Å; M525-I528 PolarHBondContact O-N 3.02Å; M525-I528 HydrophobicContact SD-CB 4.48Å; M525-V580 HydrophobicContact CE-CG1 3.97Å; M525-V580 HydrophobicContact CE-CG2 4.35Å; M525-V583 HydrophobicContact CB-CG1 3.81Å; M525-V583 HydrophobicContact CG-CG1 4.26Å; M525-V583 HydrophobicContact SD-CB 4.15Å; M525-V583 HydrophobicContact SD-CG1 3.84Å; M525-E584 HydrophobicContact CE-CG 3.72Å; M525-E584 HydrophobicContact SD-CG 3.82Å; M525-I587 HydrophobicContact CB-CD1 3.9Å; M525-I587 HydrophobicContact CG-CD1 4.42Å
526E97.8Very high97.5Very high158 Ų15859.5 Ų59.574%0.73830%0.299SS*.Hα-helixtrans-63.8-29176.2-74.5173-166.700112.3N522 E523N522-E526 WeakPolarHBondContact O-CB 3.29Å; N522-E526 WeakPolarHBondContact O-CG 3.27Å; N522-E526 PolarHBondContact O-N 3.13Å; E523-E526 PolarHBondContact O-N 3.34Å
527N97.6Very high97.4Very high80 Ų8061.8 Ų61.843%0.42830%0.3SS..THydrogen-bonded Turntrans-113.224.1-179.2-59.7-89.1000112.5E523 V524 M525 E529 V530 Y531E523-N527 PolarHBondContact O-N 3.21Å; E523-N527 VanDerWaalsContact O-N 3.13Å; E523-N527 PolarHBondContact O-ND2 3.41Å; V524-N527 CarbonylContact O-C 3.47Å; M525-N527 PolarHBondContact O-N 2.99Å; N527-E529 PolarHBondContact O-N 2.88Å; N527-V530 PolarHBondContact O-N 3.03Å; N527-V530 VanDerWaalsContact O-N 3.08Å; N527-Y531 HydrophobicContact CB-CD2 4.01Å; N527-Y531 HydrophobicContact CB-CE2 3.99Å; N527-Y531 PolarHBondContact O-N 3.21Å
528I97.3Very high97.4Very high16 Ų1663.3 Ų63.38%0.08231%0.306CS..Hα-helixtrans-58.5-24.5-166.7-169.456.9000114.4V524 M525 H532 W535 V580 V583V524-I528 HydrophobicContact CG1-CD1 4.43Å; V524-I528 WeakPolarHBondContact O-CA 3.36Å; V524-I528 PolarHBondContact O-N 2.99Å; M525-I528 WeakPolarHBondContact O-CB 3.26Å; M525-I528 WeakPolarHBondContact O-CG2 3.36Å; M525-I528 PolarHBondContact O-N 3.02Å; M525-I528 HydrophobicContact SD-CB 4.48Å; I528-H532 WeakPolarHBondContact O-CB 3.44Å; I528-H532 PolarHBondContact O-N 3.32Å; I528-W535 HydrophobicContact CD1-CH2 3.91Å; I528-W535 HydrophobicContact CD1-CZ3 3.81Å; I528-V580 HydrophobicContact CG1-CG2 4.09Å; I528-V580 HydrophobicContact CG2-CG2 4.3Å; I528-V583 HydrophobicContact CD1-CG2 4.06Å
529E95.6Very high97.3Very high128 Ų12862 Ų6260%0.59830%0.299SS*.Hα-helixtrans-64.6-48177.1-48.3-154.6115.800111.5N527 H532 E533 K575N527-E529 PolarHBondContact O-N 2.88Å; E529-H532 PolarHBondContact O-N 3.19Å; E529-E533 PolarHBondContact O-N 3.34Å; E529-K575 HydrophobicContact CG-CD 4.34Å; E529-K575 IonicContact OE1-NZ 3.36Å; E529-K575 PolarHBondContact OE1-NZ 3.37Å
530V97Very high97.2Very high76 Ų7657.3 Ų57.346%0.46128%0.28SS..Hα-helixtrans-69.4-40.1179.1179.10000110.9N527 F534N527-V530 PolarHBondContact O-N 3.03Å; N527-V530 VanDerWaalsContact O-N 3.08Å; V530-F534 HydrophobicContact CG1-CD2 4.25Å; V530-F534 HydrophobicContact CG1-CE2 3.76Å; V530-F534 WeakPolarHBondContact O-CD2 3.35Å; V530-F534 PolarHBondContact O-N 3.28Å
531Y97.8Very high97Very high64 Ų6459.5 Ų59.525%0.25129%0.288SS..Hα-helixtrans-65.3-40.8175.4-80.4-75.2000112V524 N527 F534 W535V524-Y531 HydrophobicContact CB-CD2 4.24Å; V524-Y531 HydrophobicContact CB-CE2 4.25Å; V524-Y531 HydrophobicContact CG1-CD2 4.16Å; V524-Y531 HydrophobicContact CG1-CG 4.1Å; V524-Y531 HydrophobicContact CG2-CD1 4.32Å; V524-Y531 HydrophobicContact CG2-CD2 4.24Å; V524-Y531 HydrophobicContact CG2-CE1 4Å; V524-Y531 HydrophobicContact CG2-CE2 3.91Å; V524-Y531 HydrophobicContact CG2-CG 4.43Å; N527-Y531 HydrophobicContact CB-CD2 4.01Å; N527-Y531 HydrophobicContact CB-CE2 3.99Å; N527-Y531 PolarHBondContact O-N 3.21Å; Y531-F534 PolarHBondContact O-N 3.05Å; Y531-W535 HydrophobicContact CD1-CZ2 4.11Å; Y531-W535 HydrophobicContact CG-CZ2 4.23Å; Y531-W535 VanDerWaalsContact O-CD2 3.32Å; Y531-W535 PolarHBondContact O-N 2.96Å; Y531-W535 VanDerWaalsContact O-N 3.12Å; Y531-W535 PolarHBondContact O-NE1 3.16Å
532H97.6Very high96.8Very high1 Ų160.8 Ų60.81%0.00530%0.295CS..Hα-helixtrans-66.4-40.9177.5-176.275.9000112.5I528 E529 F534 W535 F536 E571 Y574 K575 S579I528-H532 WeakPolarHBondContact O-CB 3.44Å; I528-H532 PolarHBondContact O-N 3.32Å; E529-H532 PolarHBondContact O-N 3.19Å; H532-F534 VanDerWaalsContact C-N 3.32Å; H532-F534 PolarHBondContact O-N 2.85Å; H532-W535 PolarHBondContact O-N 3.26Å; H532-W535 VanDerWaalsContact O-N 3.11Å; H532-F536 VanDerWaalsContact O-CB 3.31Å; H532-F536 WeakPolarHBondContact O-CB 3.35Å; H532-F536 PolarHBondContact O-N 3.1Å; H532-E571 PolarHBondContact NE2-O 3.48Å; H532-E571 VanDerWaalsContact NE2-O 3.09Å; H532-Y574 VanDerWaalsContact CE1-C 3.49Å; H532-K575 HydrophobicContact CB-CG 3.96Å; H532-K575 PolarHBondContact CE1-N 3.31Å; H532-K575 VanDerWaalsContact CE1-N 3.34Å; H532-K575 PolarHBondContact NE2-N 3.32Å; H532-S579 PolarHBondContact CE1-OG 3.34Å; H532-S579 PolarHBondContact ND1-OG 2.71Å
533E97Very high96.5Very high112 Ų11258.4 Ų58.452%0.52328%0.283SS..Hα-helixtrans-51-51.8175.6-174.9178.4-172.600110.5E529 W535 F536 E537E529-E533 PolarHBondContact O-N 3.34Å; E533-W535 PolarHBondContact O-N 2.82Å; E533-F536 PolarHBondContact O-N 3.23Å; E533-E537 WeakPolarHBondContact O-CB 3.42Å; E533-E537 PolarHBondContact O-N 3.14Å
534F97.7Very high96.2Very high123 Ų12358.9 Ų58.954%0.53929%0.292SS..Hα-helixtrans-64.7-38.2176.9-68.3-57.8000114.1V530 Y531 H532 E538V530-F534 HydrophobicContact CG1-CD2 4.25Å; V530-F534 HydrophobicContact CG1-CE2 3.76Å; V530-F534 WeakPolarHBondContact O-CD2 3.35Å; V530-F534 PolarHBondContact O-N 3.28Å; Y531-F534 PolarHBondContact O-N 3.05Å; H532-F534 VanDerWaalsContact C-N 3.32Å; H532-F534 PolarHBondContact O-N 2.85Å; F534-E538 WeakPolarHBondContact O-CB 3.47Å; F534-E538 PolarHBondContact O-N 3.3Å
535W97.9Very high95.9Very high13 Ų1365.3 Ų65.35%0.04932%0.319CS..Hα-helixtrans-70.4-35.7178.4-57.1-12.7000111.9V484 V485 N488 V489 V524 I528 Y531 H532 E533 A539 V583V484-W535 HydrophobicContact CG1-CB 4.34Å; V484-W535 VanDerWaalsContact CG1-O 3.29Å; V484-W535 WeakPolarHBondContact CG1-O 3.32Å; V485-W535 HydrophobicContact CG1-CE3 4.31Å; V485-W535 HydrophobicContact CG1-CZ3 4.37Å; V485-W535 HydrophobicContact CG2-CE3 4.12Å; N488-W535 HydrophobicContact CB-CD2 4.17Å; N488-W535 HydrophobicContact CB-CG 4.14Å; N488-W535 HydrophobicContact CB-CZ2 4.31Å; V489-W535 HydrophobicContact CG2-CH2 3.39Å; V489-W535 HydrophobicContact CG2-CZ2 4.05Å; V489-W535 HydrophobicContact CG2-CZ3 3.66Å; V524-W535 HydrophobicContact CG1-CH2 3.65Å; V524-W535 HydrophobicContact CG1-CZ2 3.89Å; I528-W535 HydrophobicContact CD1-CH2 3.91Å; I528-W535 HydrophobicContact CD1-CZ3 3.81Å; Y531-W535 HydrophobicContact CD1-CZ2 4.11Å; Y531-W535 HydrophobicContact CG-CZ2 4.23Å; Y531-W535 VanDerWaalsContact O-CD2 3.32Å; Y531-W535 PolarHBondContact O-N 2.96Å; Y531-W535 VanDerWaalsContact O-N 3.12Å; Y531-W535 PolarHBondContact O-NE1 3.16Å; H532-W535 PolarHBondContact O-N 3.26Å; H532-W535 VanDerWaalsContact O-N 3.11Å; E533-W535 PolarHBondContact O-N 2.82Å; W535-A539 WeakPolarHBondContact O-CB 3.37Å; W535-A539 PolarHBondContact O-N 2.97Å; W535-V583 HydrophobicContact CH2-CG2 4.03Å; W535-V583 HydrophobicContact CZ3-CG2 4.23Å
536F96.5Very high95.4Very high20 Ų2064.7 Ų64.79%0.08832%0.317CS..Hα-helixtrans-72.6-36.6176-170.3-103000111.4F477 V481 H532 E533 A539 T540 M550 E571 Y574F477-F536 AromaticContact CE1-CE2 3.81Å; F477-F536 HydrophobicContact CE1-CE2 3.81Å; F477-F536 HydrophobicContact CE1-CZ 4.46Å; F477-F536 AromaticContact CZ-CE2 3.94Å; F477-F536 HydrophobicContact CZ-CE2 3.94Å; F477-F536 HydrophobicContact CZ-CZ 4.41Å; V481-F536 HydrophobicContact CG2-CD2 4.32Å; H532-F536 VanDerWaalsContact O-CB 3.31Å; H532-F536 WeakPolarHBondContact O-CB 3.35Å; H532-F536 PolarHBondContact O-N 3.1Å; E533-F536 PolarHBondContact O-N 3.23Å; F536-A539 PolarHBondContact O-N 3.26Å; F536-T540 VanDerWaalsContact O-CB 3.29Å; F536-T540 WeakPolarHBondContact O-CB 3.31Å; F536-T540 PolarHBondContact O-N 3.11Å; F536-T540 PolarHBondContact O-OG1 3.07Å; F536-M550 HydrophobicContact CE1-CE 4.21Å; F536-M550 HydrophobicContact CE2-CE 4.32Å; F536-M550 HydrophobicContact CZ-CE 3.57Å; F536-E571 HydrophobicContact CB-CG 4.3Å; F536-E571 HydrophobicContact CD1-CB 3.82Å; F536-E571 HydrophobicContact CD1-CG 3.85Å; F536-E571 HydrophobicContact CE1-CB 3.85Å; F536-E571 HydrophobicContact CE1-CG 4.39Å; F536-E571 HydrophobicContact CG-CB 4.18Å; F536-E571 HydrophobicContact CG-CG 4.01Å; F536-E571 HydrophobicContact CZ-CB 4.22Å; F536-Y574 HydrophobicContact CD2-CD2 4.22Å; F536-Y574 AromaticContact CE2-CD2 3.63Å; F536-Y574 HydrophobicContact CE2-CD2 3.63Å; F536-Y574 HydrophobicContact CE2-CE2 4.15Å
537E96.2Very high94.8Very high107 Ų10764.5 Ų64.550%0.532%0.321SS..Hα-helixtrans-63.6-45.3170.6-153.5-146.5144.600111.4E533 A539 T540 N541E533-E537 WeakPolarHBondContact O-CB 3.42Å; E533-E537 PolarHBondContact O-N 3.14Å; E537-A539 PolarHBondContact O-N 2.83Å; E537-T540 PolarHBondContact O-N 2.88Å; E537-N541 WeakPolarHBondContact O-CB 3.49Å; E537-N541 PolarHBondContact O-N 2.75Å; E537-N541 PolarHBondContact O-ND2 3.44Å; E537-N541 PolarHBondContact OE1-ND2 2.97Å
538E96.9Very high94.2Very high50 Ų5061.8 Ų61.823%0.23431%0.306CS..Hα-helixtrans-58-48175178.3175.1-163.500111.5V484 K487 N488 F534 T540 N541 L542V484-E538 HydrophobicContact CG1-CB 3.94Å; V484-E538 HydrophobicContact CG1-CG 3.87Å; V484-E538 HydrophobicContact CG2-CG 4.35Å; K487-E538 VanDerWaalsContact CE-OE1 3.29Å; K487-E538 WeakPolarHBondContact CE-OE1 3.38Å; K487-E538 IonicContact NZ-OE1 3.2Å; K487-E538 PolarHBondContact NZ-OE1 2.96Å; K487-E538 IonicContact NZ-OE2 3.94Å; K487-E538 PolarHBondContact NZ-OE2 3.25Å; N488-E538 PolarHBondContact ND2-OE2 3.35Å; F534-E538 WeakPolarHBondContact O-CB 3.47Å; F534-E538 PolarHBondContact O-N 3.3Å; E538-T540 VanDerWaalsContact C-N 3.35Å; E538-T540 PolarHBondContact O-N 2.86Å; E538-N541 PolarHBondContact O-N 3.15Å; E538-L542 HydrophobicContact CG-CD1 3.93Å; E538-L542 WeakPolarHBondContact O-CB 3.23Å; E538-L542 VanDerWaalsContact O-CG 3.3Å; E538-L542 WeakPolarHBondContact O-CG 3.43Å; E538-L542 PolarHBondContact O-N 2.95Å
539A96.1Very high93Very high0 Ų068.2 Ų68.20%034%0.336CS..Hα-helixtrans-62-40177.200000112.7F477 I480 V481 V484 W535 F536 E537 L542 A543F477-A539 HydrophobicContact CE2-CB 4.37Å; F477-A539 HydrophobicContact CZ-CB 4.1Å; I480-A539 HydrophobicContact CG2-CB 4.25Å; V481-A539 HydrophobicContact CB-CB 4.06Å; V481-A539 HydrophobicContact CG2-CB 4.09Å; V484-A539 HydrophobicContact CB-CB 4.3Å; V484-A539 HydrophobicContact CG1-CB 4.41Å; V484-A539 HydrophobicContact CG2-CB 4.21Å; W535-A539 WeakPolarHBondContact O-CB 3.37Å; W535-A539 PolarHBondContact O-N 2.97Å; F536-A539 PolarHBondContact O-N 3.26Å; E537-A539 PolarHBondContact O-N 2.83Å; A539-L542 PolarHBondContact O-N 3.16Å; A539-A543 WeakPolarHBondContact O-CB 3.34Å; A539-A543 PolarHBondContact O-N 2.82Å
540T94.3Very high91.7Very high33 Ų3365.7 Ų65.720%0.20233%0.325CS..Hα-helixtrans-68.5-40.8177.9-58.90000111.6F536 E537 E538 A543 T544 M550F536-T540 VanDerWaalsContact O-CB 3.29Å; F536-T540 WeakPolarHBondContact O-CB 3.31Å; F536-T540 PolarHBondContact O-N 3.11Å; F536-T540 PolarHBondContact O-OG1 3.07Å; E537-T540 PolarHBondContact O-N 2.88Å; E538-T540 VanDerWaalsContact C-N 3.35Å; E538-T540 PolarHBondContact O-N 2.86Å; T540-A543 PolarHBondContact O-N 2.94Å; T540-T544 VanDerWaalsContact O-CB 3.31Å; T540-T544 WeakPolarHBondContact O-CB 2.99Å; T540-T544 PolarHBondContact O-N 3.44Å; T540-T544 PolarHBondContact O-OG1 3.18Å; T540-M550 HydrophobicContact CG2-CE 4.4Å; T540-M550 HydrophobicContact CG2-SD 3.95Å
541N94.4Very high90.3Very high86 Ų8668.7 Ų68.746%0.4633%0.332SS..Hα-helixtrans-65.4-40.9175.1-79.4-46.7000111.4E537 E538 T544 K545E537-N541 WeakPolarHBondContact O-CB 3.49Å; E537-N541 PolarHBondContact O-N 2.75Å; E537-N541 PolarHBondContact O-ND2 3.44Å; E537-N541 PolarHBondContact OE1-ND2 2.97Å; E538-N541 PolarHBondContact O-N 3.15Å; N541-T544 PolarHBondContact O-N 3.27Å; N541-K545 WeakPolarHBondContact O-CB 3.4Å; N541-K545 PolarHBondContact O-N 2.93Å
542L93.6Very high88.6Confident28 Ų2868.3 Ų68.315%0.14733%0.334CS..Hα-helixtrans-63.7-46.8174.5-74.8165.4000112.4V438 I480 V484 E538 A539 T544 K545 L546V438-L542 HydrophobicContact CG1-CD1 3.7Å; V438-L542 HydrophobicContact CG1-CD2 4.26Å; I480-L542 HydrophobicContact CG2-CB 4.22Å; V484-L542 HydrophobicContact CG2-CD1 3.52Å; E538-L542 HydrophobicContact CG-CD1 3.93Å; E538-L542 WeakPolarHBondContact O-CB 3.23Å; E538-L542 VanDerWaalsContact O-CG 3.3Å; E538-L542 WeakPolarHBondContact O-CG 3.43Å; E538-L542 PolarHBondContact O-N 2.95Å; A539-L542 PolarHBondContact O-N 3.16Å; L542-T544 PolarHBondContact O-N 2.95Å; L542-K545 WeakPolarHBondContact O-CB 3.2Å; L542-K545 PolarHBondContact O-N 3.31Å; L542-L546 WeakPolarHBondContact O-CG 3.5Å; L542-L546 PolarHBondContact O-N 2.92Å
543A92.6Very high87Confident1 Ų168.7 Ų68.71%0.00834%0.337CS..Hα-helixtrans-60.8-44175.600000111.7F477 I480 A539 T540 K545 L546 D547 I548F477-A543 HydrophobicContact CD2-CB 3.8Å; F477-A543 HydrophobicContact CE2-CB 3.91Å; I480-A543 HydrophobicContact CD1-CB 4.3Å; A539-A543 WeakPolarHBondContact O-CB 3.34Å; A539-A543 PolarHBondContact O-N 2.82Å; T540-A543 PolarHBondContact O-N 2.94Å; A543-K545 VanDerWaalsContact C-N 3.33Å; A543-K545 PolarHBondContact O-N 3.05Å; A543-L546 CarbonylContact O-C 3.59Å; A543-L546 PolarHBondContact O-N 3.05Å; A543-D547 PolarHBondContact O-N 3.14Å; A543-I548 HydrophobicContact CB-CB 4.13Å; A543-I548 HydrophobicContact CB-CG2 4.37Å; A543-I548 PolarHBondContact O-N 3.12Å
544T92.2Very high85.4Confident96 Ų9665.3 Ų65.359%0.58933%0.332SS*.Hα-helixtrans-60.9-39.7176.9-57.60000112.2T540 N541 L542 L546 D547T540-T544 VanDerWaalsContact O-CB 3.31Å; T540-T544 WeakPolarHBondContact O-CB 2.99Å; T540-T544 PolarHBondContact O-N 3.44Å; T540-T544 PolarHBondContact O-OG1 3.18Å; N541-T544 PolarHBondContact O-N 3.27Å; L542-T544 PolarHBondContact O-N 2.95Å; T544-L546 PolarHBondContact O-N 3.24Å; T544-L546 VanDerWaalsContact O-N 3.14Å; T544-D547 PolarHBondContact O-N 2.96Å
545K89.8Confident83.5Confident134 Ų13466.5 Ų66.558%0.58334%0.337SS*.THydrogen-bonded Turntrans-63.1-16.9175.9-160.7-163.6-173-159.90113.4N541 L542 A543N541-K545 WeakPolarHBondContact O-CB 3.4Å; N541-K545 PolarHBondContact O-N 2.93Å; L542-K545 WeakPolarHBondContact O-CB 3.2Å; L542-K545 PolarHBondContact O-N 3.31Å; A543-K545 VanDerWaalsContact C-N 3.33Å; A543-K545 PolarHBondContact O-N 3.05Å
546L88.6Confident81.6Confident33 Ų3366.7 Ų66.717%0.17334%0.338CS..THydrogen-bonded Turntrans-1116.5-177.4-61.3171.1000112.9L441 Q442 V445 L542 A543 T544 I548L441-L546 HydrophobicContact CD2-CD1 3.75Å; L441-L546 HydrophobicContact CG-CD1 3.95Å; Q442-L546 HydrophobicContact CB-CD2 3.88Å; Q442-L546 HydrophobicContact CG-CD2 3.78Å; V445-L546 HydrophobicContact CG2-CD1 4.44Å; L542-L546 WeakPolarHBondContact O-CG 3.5Å; L542-L546 PolarHBondContact O-N 2.92Å; A543-L546 CarbonylContact O-C 3.59Å; A543-L546 PolarHBondContact O-N 3.05Å; T544-L546 PolarHBondContact O-N 3.24Å; T544-L546 VanDerWaalsContact O-N 3.14Å; L546-I548 HydrophobicContact CB-CD1 3.53Å; L546-I548 HydrophobicContact CB-CG1 3.73Å; L546-I548 HydrophobicContact CD1-CD1 3.76Å; L546-I548 HydrophobicContact CG-CD1 4.29Å; L546-I548 PolarHBondContact O-N 2.64Å
547D84.9Confident79.8Confident153 Ų15372.1 Ų72.182%0.81836%0.358SS*.THydrogen-bonded Turntrans56.129.6-173.2-156.828.8000114A543 T544 Q549A543-D547 PolarHBondContact O-N 3.14Å; T544-D547 PolarHBondContact O-N 2.96Å; D547-Q549 PolarHBondContact O-N 3.26Å
548I83.8Confident78Confident24 Ų2475 Ų7512%0.12336%0.364CS..  trans-85.3115-177.5-64.8169.8000110.2T475 I480 A543 L546 M550T475-I548 HydrophobicContact CG2-CD1 3.9Å; T475-I548 HydrophobicContact CG2-CG1 4.41Å; T475-I548 VanDerWaalsContact O-CG2 3.22Å; T475-I548 WeakPolarHBondContact O-CG2 3.39Å; I480-I548 HydrophobicContact CD1-CD1 3.47Å; I480-I548 VanDerWaalsContact CD1-CD1 3.47Å; A543-I548 HydrophobicContact CB-CB 4.13Å; A543-I548 HydrophobicContact CB-CG2 4.37Å; A543-I548 PolarHBondContact O-N 3.12Å; L546-I548 HydrophobicContact CB-CD1 3.53Å; L546-I548 HydrophobicContact CB-CG1 3.73Å; L546-I548 HydrophobicContact CD1-CD1 3.76Å; L546-I548 HydrophobicContact CG-CD1 4.29Å; L546-I548 PolarHBondContact O-N 2.64Å; I548-M550 PolarHBondContact O-N 3.41Å
549Q71.9Confident76Confident150 Ų15075.6 Ų75.670%0.70138%0.377SS*.  trans-70.3120.2171-66.1-175.6-1.100111.4D547 K551D547-Q549 PolarHBondContact O-N 3.26Å; Q549-K551 PolarHBondContact O-N 3.35Å
550M69.3Low74.1Confident76 Ų7680.1 Ų80.137%0.37440%0.398SS..  trans-60.7100.7175.1-62.7168.479.100111.4F477 F536 T540 I548F477-M550 HydrophobicContact CD2-CG 3.79Å; F477-M550 HydrophobicContact CE1-CE 4.03Å; F477-M550 HydrophobicContact CE2-CE 3.95Å; F477-M550 HydrophobicContact CE2-CG 3.93Å; F477-M550 HydrophobicContact CE2-SD 4.45Å; F477-M550 HydrophobicContact CG-CG 4.27Å; F477-M550 HydrophobicContact CZ-CE 3.65Å; F536-M550 HydrophobicContact CE1-CE 4.21Å; F536-M550 HydrophobicContact CE2-CE 4.32Å; F536-M550 HydrophobicContact CZ-CE 3.57Å; T540-M550 HydrophobicContact CG2-CE 4.4Å; T540-M550 HydrophobicContact CG2-SD 3.95Å; I548-M550 PolarHBondContact O-N 3.41Å
551K66.8Low72.2Confident139 Ų13986 Ų8660%0.60442%0.424SS*.  trans-98.790.9-179.9-74.8165.2-172.2162.20110.5Q549Q549-K551 PolarHBondContact O-N 3.35Å
552L63Low70.1Confident56 Ų5684.2 Ų84.229%0.29343%0.425SS..  trans-45.3142.5-177.8-64.3169.7000113.7F556 R557L552-F556 HydrophobicContact CB-CD1 4.14Å; L552-F556 HydrophobicContact CD1-CD1 4.07Å; L552-F556 HydrophobicContact CD1-CE1 3.81Å; L552-R557 PolarHBondContact O-NE 3.19Å; L552-R557 PolarHBondContact O-NH2 2.92Å
553P64.3Low68.3Low9 Ų990.9 Ų90.96%0.05846%0.46CS..  trans-61149.4-170.1-32.241.9000114.5D478 K555 F556 R557 Y573 Y574D478-P553 WeakPolarHBondContact OD1-CG 3.47Å; P553-K555 PolarHBondContact O-N 3.1Å; P553-F556 WeakPolarHBondContact O-CB 3.15Å; P553-F556 PolarHBondContact O-N 2.93Å; P553-F556 VanDerWaalsContact O-N 3.09Å; P553-R557 PolarHBondContact O-N 3.02Å; P553-R557 VanDerWaalsContact O-N 3.07Å; P553-Y573 HydrophobicContact CB-CE1 4.34Å; P553-Y573 HydrophobicContact CG-CE1 3.72Å; P553-Y574 WeakPolarHBondContact CD-OH 3.41Å; P553-Y574 HydrophobicContact CG-CE1 4.37Å; P553-Y574 WeakPolarHBondContact CG-OH 3.38Å
554G61.7Low66.3Low41 Ų4197.5 Ų97.542%0.42350%0.495SS..THydrogen-bonded Turntrans-62.6-11.6177.500000114.3R558G554-R558 PolarHBondContact O-NE 3.18Å; G554-R558 PolarHBondContact O-NH2 3.33Å
555K58.7Low64.2Low148 Ų14899.5 Ų99.564%0.64350%0.498SS*.THydrogen-bonded Turntrans-80.1-53.2169-69.8179.3179.9177.30111P553 R557 R558 A559P553-K555 PolarHBondContact O-N 3.1Å; K555-R557 VanDerWaalsContact C-N 3.33Å; K555-R557 PolarHBondContact O-N 3.32Å; K555-R558 PolarHBondContact O-N 3.15Å; K555-A559 PolarHBondContact O-N 3.24Å
556F59Low62.4Low16 Ų1698.8 Ų98.87%0.0751%0.51CS..Hα-helixtrans-50.6-49.7175.1-177.4-82.6000111.9L552 P553 R558 A559 H560 L568 Y573L552-F556 HydrophobicContact CB-CD1 4.14Å; L552-F556 HydrophobicContact CD1-CD1 4.07Å; L552-F556 HydrophobicContact CD1-CE1 3.81Å; P553-F556 WeakPolarHBondContact O-CB 3.15Å; P553-F556 PolarHBondContact O-N 2.93Å; P553-F556 VanDerWaalsContact O-N 3.09Å; F556-R558 PolarHBondContact O-N 3.02Å; F556-A559 PolarHBondContact O-N 3.41Å; F556-H560 AromaticContact CE1-CD2 3.92Å; F556-H560 AromaticContact CZ-NE2 3.82Å; F556-H560 PolarHBondContact O-N 3.33Å; F556-H560 VanDerWaalsContact O-N 3.13Å; F556-L568 HydrophobicContact CD2-CD2 4.27Å; F556-L568 HydrophobicContact CE2-CB 4.37Å; F556-L568 HydrophobicContact CE2-CD2 4.1Å; F556-L568 HydrophobicContact CE2-CG 4.41Å; F556-L568 WeakPolarHBondContact CE2-O 3.3Å; F556-L568 WeakPolarHBondContact CZ-O 3.46Å; F556-Y573 HydrophobicContact CB-CD2 4.24Å; F556-Y573 HydrophobicContact CB-CE2 4.21Å; F556-Y573 AromaticContact CD2-CD2 3.76Å; F556-Y573 HydrophobicContact CD2-CD2 3.76Å; F556-Y573 AromaticContact CD2-CG 3.83Å; F556-Y573 HydrophobicContact CD2-CG 3.83Å
557R57.4Low60.7Low134 Ų134105.7 Ų105.751%0.50654%0.541SS..Hα-helixtrans-61.8-26.4179.1-64.5-172.1-130.91745.6114.3L552 P553 K555 Q561L552-R557 PolarHBondContact O-NE 3.19Å; L552-R557 PolarHBondContact O-NH2 2.92Å; P553-R557 PolarHBondContact O-N 3.02Å; P553-R557 VanDerWaalsContact O-N 3.07Å; K555-R557 VanDerWaalsContact C-N 3.33Å; K555-R557 PolarHBondContact O-N 3.32Å; R557-Q561 WeakPolarHBondContact O-CG 3.3Å
558R58.4Low59.7Low169 Ų169101.1 Ų101.164%0.63852%0.516SS*.Hα-helixtrans-84.1-34.8176.6-82.1-179.4-73.2178.2-4.3112.3G554 K555 F556 Q561G554-R558 PolarHBondContact O-NE 3.18Å; G554-R558 PolarHBondContact O-NH2 3.33Å; K555-R558 PolarHBondContact O-N 3.15Å; F556-R558 PolarHBondContact O-N 3.02Å; R558-Q561 PolarHBondContact O-N 2.89Å; R558-Q561 VanDerWaalsContact O-N 3.17Å
559A54.8Low59.5Low61 Ų61103.4 Ų103.450%0.50453%0.532SS..Hα-helixtrans-59.6-49.3171.900000110.8K555 F556 Q561 G562K555-A559 PolarHBondContact O-N 3.24Å; F556-A559 PolarHBondContact O-N 3.41Å; A559-Q561 PolarHBondContact O-N 3.21Å; A559-G562 PolarHBondContact O-N 2.94Å; A559-G562 VanDerWaalsContact O-N 3.08Å
560H56Low60Low95 Ų9597.9 Ų97.944%0.4451%0.51SS..THydrogen-bonded Turntrans-64.6-5.7175.4-91.923.3000115.7F556F556-H560 AromaticContact CE1-CD2 3.92Å; F556-H560 AromaticContact CZ-NE2 3.82Å; F556-H560 PolarHBondContact O-N 3.33Å; F556-H560 VanDerWaalsContact O-N 3.13Å
561Q54.5Low60.9Low158 Ų15897.6 Ų97.674%0.73851%0.507SS*.THydrogen-bonded Turntrans-93.3-13.6173.1-77.4175.2-16.500113.5R557 R558 A559R557-Q561 WeakPolarHBondContact O-CG 3.3Å; R558-Q561 PolarHBondContact O-N 2.89Å; R558-Q561 VanDerWaalsContact O-N 3.17Å; A559-Q561 PolarHBondContact O-N 3.21Å
562G51.6Low62Low47 Ų4792.5 Ų92.549%0.48549%0.489SS..SBendtrans-118.6102.9176.500000110.9A559 L564A559-G562 PolarHBondContact O-N 2.94Å; A559-G562 VanDerWaalsContact O-N 3.08Å; G562-L564 PolarHBondContact O-N 3.37Å
563N54.8Low63.2Low168 Ų16891.4 Ų91.490%0.89848%0.481SS*.SBendtrans-43.587.5-169.5-70.7-17.2000116.6
564L50.9Low64.6Low140 Ų14091.3 Ų91.373%0.73348%0.48SS*.SBendtrans-150.4144154.4-148.166000108.6G562G562-L564 PolarHBondContact O-N 3.37Å
565E49.2Very low66.1Low138 Ų13890.8 Ų90.865%0.64547%0.466SS*.  trans58.671.4174.5-65.9174.7-16100117.1Q567E565-Q567 PolarHBondContact O-N 3.04Å
566S50.3Low67.8Low119 Ų11988.3 Ų88.383%0.83246%0.456SS*.THydrogen-bonded Turntrans-74.842.2168.866.20000113.8
567Q54.4Low69.3Low178 Ų17890.5 Ų90.583%0.83247%0.472SS*.THydrogen-bonded Turntrans-139-13.6-177.2-74.4-171.1-27.300114.9E565 T569E565-Q567 PolarHBondContact O-N 3.04Å; Q567-T569 PolarHBondContact O-N 2.86Å; Q567-T569 VanDerWaalsContact O-N 3.15Å
568L62.7Low71.1Confident58 Ų5884.5 Ų84.530%0.30445%0.449SS..  trans-70.3110.8-176.4-155.178.5000111.2F556 S572 Y573F556-L568 HydrophobicContact CD2-CD2 4.27Å; F556-L568 HydrophobicContact CE2-CB 4.37Å; F556-L568 HydrophobicContact CE2-CD2 4.1Å; F556-L568 HydrophobicContact CE2-CG 4.41Å; F556-L568 WeakPolarHBondContact CE2-O 3.3Å; F556-L568 WeakPolarHBondContact CZ-O 3.46Å; L568-S572 WeakPolarHBondContact CD1-OG 3.37Å; L568-Y573 HydrophobicContact CD2-CD2 4.3Å
569T80.6Confident72.9Confident72 Ų7276.4 Ų76.444%0.44242%0.419SS..  trans-75.6165173.564.40000111.2Q567 E571 S572 Y573Q567-T569 PolarHBondContact O-N 2.86Å; Q567-T569 VanDerWaalsContact O-N 3.15Å; T569-E571 VanDerWaalsContact C-N 3.29Å; T569-E571 PolarHBondContact O-N 3.13Å; T569-S572 PolarHBondContact O-N 3.48Å; T569-S572 VanDerWaalsContact OG1-CB 3.23Å; T569-S572 WeakPolarHBondContact OG1-CB 3.33Å; T569-S572 PolarHBondContact OG1-N 3.35Å; T569-Y573 PolarHBondContact O-N 3.04Å
570S81.6Confident75Confident34 Ų3474.5 Ų74.524%0.23840%0.401CS..Hα-helixtrans-59.2-43.1173.753.70000112.3Y573 Y574S570-Y573 WeakPolarHBondContact O-CB 3.15Å; S570-Y573 PolarHBondContact O-N 2.9Å; S570-Y574 WeakPolarHBondContact O-CD2 3.4Å; S570-Y574 PolarHBondContact O-N 3.46Å
571E88.8Confident76.9Confident69 Ų6971.7 Ų71.732%0.32239%0.391SS..Hα-helixtrans-60.2-55.7174.2-179-170.1165.900110.9H532 F536 T569 Y573 Y574 K575H532-E571 PolarHBondContact NE2-O 3.48Å; H532-E571 VanDerWaalsContact NE2-O 3.09Å; F536-E571 HydrophobicContact CB-CG 4.3Å; F536-E571 HydrophobicContact CD1-CB 3.82Å; F536-E571 HydrophobicContact CD1-CG 3.85Å; F536-E571 HydrophobicContact CE1-CB 3.85Å; F536-E571 HydrophobicContact CE1-CG 4.39Å; F536-E571 HydrophobicContact CG-CB 4.18Å; F536-E571 HydrophobicContact CG-CG 4.01Å; F536-E571 HydrophobicContact CZ-CB 4.22Å; T569-E571 VanDerWaalsContact C-N 3.29Å; T569-E571 PolarHBondContact O-N 3.13Å; E571-Y573 PolarHBondContact O-N 3.14Å; E571-Y573 VanDerWaalsContact O-N 3.16Å; E571-Y574 CarbonylContact O-C 3.53Å; E571-Y574 PolarHBondContact O-N 3.04Å; E571-K575 PolarHBondContact O-N 2.77Å
572S88.6Confident79Confident32 Ų3264.1 Ų64.122%0.22436%0.356CS..Hα-helixtrans-53.7-39.8176.8173.70000112.3L568 T569 Y574 K575 E576L568-S572 WeakPolarHBondContact CD1-OG 3.37Å; T569-S572 PolarHBondContact O-N 3.48Å; T569-S572 VanDerWaalsContact OG1-CB 3.23Å; T569-S572 WeakPolarHBondContact OG1-CB 3.33Å; T569-S572 PolarHBondContact OG1-N 3.35Å; S572-Y574 PolarHBondContact O-N 3.41Å; S572-K575 WeakPolarHBondContact O-CB 3.44Å; S572-K575 PolarHBondContact O-N 3.04Å; S572-E576 WeakPolarHBondContact O-CG 3.47Å; S572-E576 PolarHBondContact O-N 3.38Å
573Y89.5Confident81.2Confident33 Ų3361.9 Ų61.913%0.12933%0.333CS..Hα-helixtrans-59.1-44.6173.5170.9-87.6000112.9P553 F556 L568 T569 S570 E571 T577P553-Y573 HydrophobicContact CB-CE1 4.34Å; P553-Y573 HydrophobicContact CG-CE1 3.72Å; F556-Y573 HydrophobicContact CB-CD2 4.24Å; F556-Y573 HydrophobicContact CB-CE2 4.21Å; F556-Y573 AromaticContact CD2-CD2 3.76Å; F556-Y573 HydrophobicContact CD2-CD2 3.76Å; F556-Y573 AromaticContact CD2-CG 3.83Å; F556-Y573 HydrophobicContact CD2-CG 3.83Å; L568-Y573 HydrophobicContact CD2-CD2 4.3Å; T569-Y573 PolarHBondContact O-N 3.04Å; S570-Y573 WeakPolarHBondContact O-CB 3.15Å; S570-Y573 PolarHBondContact O-N 2.9Å; E571-Y573 PolarHBondContact O-N 3.14Å; E571-Y573 VanDerWaalsContact O-N 3.16Å; Y573-T577 HydrophobicContact CD2-CG2 4.04Å; Y573-T577 WeakPolarHBondContact CE1-OG1 3.42Å; Y573-T577 HydrophobicContact CE2-CG2 3.86Å; Y573-T577 VanDerWaalsContact O-CB 3.32Å; Y573-T577 WeakPolarHBondContact O-CB 3.23Å; Y573-T577 WeakPolarHBondContact O-CG2 3.25Å; Y573-T577 PolarHBondContact O-N 3.39Å; Y573-T577 PolarHBondContact O-OG1 3.06Å
574Y92.4Very high83.2Confident7 Ų758.8 Ų58.83%0.02731%0.313CS..Hα-helixtrans-77.2-23.1177.5-67.1-67.6000113.4F477 D478 V481 H532 F536 P553 S570 E571 S572 L578 S579F477-Y574 AromaticContact CD1-CE2 3.96Å; F477-Y574 HydrophobicContact CD1-CE2 3.96Å; F477-Y574 AromaticContact CD1-CZ 3.98Å; F477-Y574 HydrophobicContact CE1-CD2 4.35Å; F477-Y574 AromaticContact CE1-CE2 3.77Å; F477-Y574 HydrophobicContact CE1-CE2 3.77Å; D478-Y574 WeakPolarHBondContact OD1-CE1 3.21Å; D478-Y574 VanDerWaalsContact OD1-CZ 3.3Å; D478-Y574 PolarHBondContact OD1-OH 2.66Å; V481-Y574 HydrophobicContact CG1-CD1 3.65Å; V481-Y574 HydrophobicContact CG1-CE1 3.62Å; V481-Y574 HydrophobicContact CG1-CG 4.15Å; V481-Y574 HydrophobicContact CG2-CG 4.32Å; H532-Y574 VanDerWaalsContact CE1-C 3.49Å; F536-Y574 HydrophobicContact CD2-CD2 4.22Å; F536-Y574 AromaticContact CE2-CD2 3.63Å; F536-Y574 HydrophobicContact CE2-CD2 3.63Å; F536-Y574 HydrophobicContact CE2-CE2 4.15Å; P553-Y574 WeakPolarHBondContact CD-OH 3.41Å; P553-Y574 HydrophobicContact CG-CE1 4.37Å; P553-Y574 WeakPolarHBondContact CG-OH 3.38Å; S570-Y574 WeakPolarHBondContact O-CD2 3.4Å; S570-Y574 PolarHBondContact O-N 3.46Å; E571-Y574 CarbonylContact O-C 3.53Å; E571-Y574 PolarHBondContact O-N 3.04Å; S572-Y574 PolarHBondContact O-N 3.41Å; Y574-L578 HydrophobicContact CD1-CD2 4.44Å; Y574-L578 WeakPolarHBondContact O-CB 3.36Å; Y574-L578 PolarHBondContact O-N 3.42Å; Y574-S579 PolarHBondContact O-N 3.12Å; Y574-S579 PolarHBondContact O-OG 3.04Å
575K94.7Very high85.4Confident30 Ų3053.8 Ų53.813%0.1329%0.286CS..Iπ-helixtrans-60.9-57.5169.5-161.7-172.275.8-176.80109.6E529 H532 E571 S572 S579 V580E529-K575 HydrophobicContact CG-CD 4.34Å; E529-K575 IonicContact OE1-NZ 3.36Å; E529-K575 PolarHBondContact OE1-NZ 3.37Å; H532-K575 HydrophobicContact CB-CG 3.96Å; H532-K575 PolarHBondContact CE1-N 3.31Å; H532-K575 VanDerWaalsContact CE1-N 3.34Å; H532-K575 PolarHBondContact NE2-N 3.32Å; E571-K575 PolarHBondContact O-N 2.77Å; S572-K575 WeakPolarHBondContact O-CB 3.44Å; S572-K575 PolarHBondContact O-N 3.04Å; K575-S579 PolarHBondContact O-N 2.83Å; K575-V580 HydrophobicContact CG-CG2 4.43Å; K575-V580 WeakPolarHBondContact O-CB 3.47Å; K575-V580 WeakPolarHBondContact O-CG2 3.48Å; K575-V580 PolarHBondContact O-N 3Å
576E93Very high87.7Confident96 Ų9647.2 Ų47.245%0.44926%0.255SS..Iπ-helixtrans-73.8-37.5-175.6-54.4-51.9149.700113.8S572 P581S572-E576 WeakPolarHBondContact O-CG 3.47Å; S572-E576 PolarHBondContact O-N 3.38Å; E576-P581 VanDerWaalsContact O-CD 3.27Å; E576-P581 WeakPolarHBondContact O-CD 3.48Å
577T91.6Very high90Very high63 Ų6341.9 Ų41.939%0.38722%0.217SC..Iπ-helixtrans-94-10.5-172.566.40000115.2Y573Y573-T577 HydrophobicContact CD2-CG2 4.04Å; Y573-T577 WeakPolarHBondContact CE1-OG1 3.42Å; Y573-T577 HydrophobicContact CE2-CG2 3.86Å; Y573-T577 VanDerWaalsContact O-CB 3.32Å; Y573-T577 WeakPolarHBondContact O-CB 3.23Å; Y573-T577 WeakPolarHBondContact O-CG2 3.25Å; Y573-T577 PolarHBondContact O-N 3.39Å; Y573-T577 PolarHBondContact O-OG1 3.06Å
578L94.5Very high91.9Very high7 Ų737.3 Ų37.34%0.03720%0.196CC..Iπ-helixtrans-134.9-56.1-177.6168.267.4000112.2V374 V377 V481 T482 V485 Y574 T582V374-L578 HydrophobicContact CG1-CD1 4.14Å; V377-L578 HydrophobicContact CG2-CD1 3.97Å; V481-L578 HydrophobicContact CG1-CD2 3.9Å; V481-L578 HydrophobicContact CG2-CD2 4.26Å; T482-L578 HydrophobicContact CG2-CD1 4.33Å; V485-L578 HydrophobicContact CB-CD2 4.32Å; V485-L578 HydrophobicContact CB-CG 4.42Å; V485-L578 HydrophobicContact CG1-CG 4.35Å; V485-L578 HydrophobicContact CG2-CD2 3.93Å; V485-L578 HydrophobicContact CG2-CG 4.26Å; Y574-L578 HydrophobicContact CD1-CD2 4.44Å; Y574-L578 WeakPolarHBondContact O-CB 3.36Å; Y574-L578 PolarHBondContact O-N 3.42Å; L578-T582 WeakPolarHBondContact O-CB 3.32Å; L578-T582 PolarHBondContact O-N 3.19Å; L578-T582 VanDerWaalsContact O-N 3.12Å; L578-T582 PolarHBondContact O-OG1 2.84Å
579S97.4Very high93.5Very high0 Ų034.9 Ų34.90%018%0.182CC..Iπ-helixtrans-72.8-52.8-167.6-57.50000112.9V485 H532 Y574 K575 T582 V583V485-S579 WeakPolarHBondContact CG2-OG 3.13Å; H532-S579 PolarHBondContact CE1-OG 3.34Å; H532-S579 PolarHBondContact ND1-OG 2.71Å; Y574-S579 PolarHBondContact O-N 3.12Å; Y574-S579 PolarHBondContact O-OG 3.04Å; K575-S579 PolarHBondContact O-N 2.83Å; S579-T582 PolarHBondContact O-N 3.34Å; S579-V583 WeakPolarHBondContact O-CG2 3.36Å; S579-V583 PolarHBondContact O-N 3.33Å
580V97.6Very high94.2Very high20 Ų2031.4 Ų31.412%0.12116%0.161CC..Hα-helixtrans-52.5-60.5174.2164.70000111.5M525 I528 K575 T582 V583 E584M525-V580 HydrophobicContact CE-CG1 3.97Å; M525-V580 HydrophobicContact CE-CG2 4.35Å; I528-V580 HydrophobicContact CG1-CG2 4.09Å; I528-V580 HydrophobicContact CG2-CG2 4.3Å; K575-V580 HydrophobicContact CG-CG2 4.43Å; K575-V580 WeakPolarHBondContact O-CB 3.47Å; K575-V580 WeakPolarHBondContact O-CG2 3.48Å; K575-V580 PolarHBondContact O-N 3Å; V580-T582 PolarHBondContact O-N 3.48Å; V580-V583 PolarHBondContact O-N 3.34Å; V580-V583 VanDerWaalsContact O-N 3.15Å; V580-E584 HydrophobicContact CG1-CG 4.34Å; V580-E584 WeakPolarHBondContact O-CG 3.25Å; V580-E584 PolarHBondContact O-N 3.24Å
581P96.9Very high94.8Very high36 Ų3634.1 Ų34.123%0.23417%0.169CC..Hα-helixtrans-66.2-23.4-176.524.8-35.2000114V374 E576 H585V374-P581 HydrophobicContact CG2-CB 4Å; V374-P581 HydrophobicContact CG2-CG 3.96Å; E576-P581 VanDerWaalsContact O-CD 3.27Å; E576-P581 WeakPolarHBondContact O-CD 3.48Å; P581-H585 WeakPolarHBondContact O-CB 3.27Å; P581-H585 PolarHBondContact O-N 3.36Å
582T97.3Very high95Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-72.8-45.3173.8-620000111.3V372 V485 L486 L578 S579 V580 I586V372-T582 HydrophobicContact CG1-CG2 4.5Å; V372-T582 HydrophobicContact CG2-CG2 4.32Å; V485-T582 HydrophobicContact CG1-CG2 4.33Å; L486-T582 HydrophobicContact CD2-CG2 4.18Å; L578-T582 WeakPolarHBondContact O-CB 3.32Å; L578-T582 PolarHBondContact O-N 3.19Å; L578-T582 VanDerWaalsContact O-N 3.12Å; L578-T582 PolarHBondContact O-OG1 2.84Å; S579-T582 PolarHBondContact O-N 3.34Å; V580-T582 PolarHBondContact O-N 3.48Å; T582-I586 HydrophobicContact CG2-CD1 3.76Å; T582-I586 WeakPolarHBondContact O-CB 3.15Å; T582-I586 WeakPolarHBondContact O-CD1 3.47Å; T582-I586 VanDerWaalsContact O-CG1 3.25Å; T582-I586 WeakPolarHBondContact O-CG1 3.29Å; T582-I586 PolarHBondContact O-N 3.39Å; T582-I586 VanDerWaalsContact O-N 3.09Å
583V98.2Very high95.2Very high0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-67.4-48.1179.2173.80000110.9V489 V524 M525 I528 W535 S579 V580 H585 I586 I587V489-V583 HydrophobicContact CB-CG2 4.48Å; V489-V583 HydrophobicContact CG1-CG2 3.99Å; V489-V583 HydrophobicContact CG2-CG2 3.55Å; V524-V583 HydrophobicContact CG1-CG1 4.45Å; V524-V583 HydrophobicContact CG1-CG2 4.38Å; M525-V583 HydrophobicContact CB-CG1 3.81Å; M525-V583 HydrophobicContact CG-CG1 4.26Å; M525-V583 HydrophobicContact SD-CB 4.15Å; M525-V583 HydrophobicContact SD-CG1 3.84Å; I528-V583 HydrophobicContact CD1-CG2 4.06Å; W535-V583 HydrophobicContact CH2-CG2 4.03Å; W535-V583 HydrophobicContact CZ3-CG2 4.23Å; S579-V583 WeakPolarHBondContact O-CG2 3.36Å; S579-V583 PolarHBondContact O-N 3.33Å; V580-V583 PolarHBondContact O-N 3.34Å; V580-V583 VanDerWaalsContact O-N 3.15Å; V583-H585 PolarHBondContact O-N 3.07Å; V583-I586 PolarHBondContact O-N 3.17Å; V583-I587 HydrophobicContact CG1-CD1 3.73Å; V583-I587 HydrophobicContact CG1-CG1 4.48Å; V583-I587 VanDerWaalsContact O-CG1 3.29Å; V583-I587 WeakPolarHBondContact O-CG1 3.34Å; V583-I587 PolarHBondContact O-N 3.13Å
584E97.7Very high95.4Very high103 Ų10330.7 Ų30.748%0.48115%0.152SC..Hα-helixtrans-57.7-47.1177.9-70-176.9137.400112.1M525 V580 I587 Q588M525-E584 HydrophobicContact CE-CG 3.72Å; M525-E584 HydrophobicContact SD-CG 3.82Å; V580-E584 HydrophobicContact CG1-CG 4.34Å; V580-E584 WeakPolarHBondContact O-CG 3.25Å; V580-E584 PolarHBondContact O-N 3.24Å; E584-I587 PolarHBondContact O-N 3.13Å; E584-Q588 WeakPolarHBondContact O-CB 3.45Å; E584-Q588 PolarHBondContact O-N 2.74Å
585H96.4Very high95.4Very high35 Ų3531.8 Ų31.816%0.16216%0.161CC..Hα-helixtrans-64.3-43179.4-179.685.7000112.3S371 P373 P581 V583 I587 Q588 E589S371-H585 VanDerWaalsContact C-NE2 3.29Å; S371-H585 PolarHBondContact O-CE1 2.8Å; S371-H585 VanDerWaalsContact O-CE1 3.29Å; S371-H585 PolarHBondContact O-NE2 3.08Å; S371-H585 VanDerWaalsContact O-NE2 3.11Å; S371-H585 PolarHBondContact OG-NE2 3.04Å; P373-H585 VanDerWaalsContact CD-ND1 3.33Å; P373-H585 WeakPolarHBondContact CD-ND1 3.43Å; P581-H585 WeakPolarHBondContact O-CB 3.27Å; P581-H585 PolarHBondContact O-N 3.36Å; V583-H585 PolarHBondContact O-N 3.07Å; H585-I587 VanDerWaalsContact C-N 3.35Å; H585-I587 PolarHBondContact O-N 3.2Å; H585-Q588 PolarHBondContact O-N 3.2Å; H585-Q588 VanDerWaalsContact O-N 3.14Å; H585-E589 IonicContact CE1-OE1 3.77Å; H585-E589 WeakPolarHBondContact NE2-CG 3.41Å; H585-E589 IonicContact NE2-OE1 2.7Å; H585-E589 PolarHBondContact O-N 3.09Å
586I97.1Very high95.3Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-64.3-39.9177.9-73.3167.5000111.2L368 V372 V489 L490 L521 T582 V583 Q588 L590L368-I586 HydrophobicContact CB-CG1 4.39Å; L368-I586 HydrophobicContact CD1-CG2 4.21Å; L368-I586 HydrophobicContact CD2-CG2 4.39Å; V372-I586 HydrophobicContact CG2-CD1 4.32Å; V372-I586 HydrophobicContact CG2-CG1 4.1Å; V489-I586 HydrophobicContact CG1-CD1 3.66Å; L490-I586 HydrophobicContact CD2-CD1 3.74Å; L490-I586 HydrophobicContact CG-CD1 4.29Å; L521-I586 HydrophobicContact CD1-CG2 4.17Å; T582-I586 HydrophobicContact CG2-CD1 3.76Å; T582-I586 WeakPolarHBondContact O-CB 3.15Å; T582-I586 WeakPolarHBondContact O-CD1 3.47Å; T582-I586 VanDerWaalsContact O-CG1 3.25Å; T582-I586 WeakPolarHBondContact O-CG1 3.29Å; T582-I586 PolarHBondContact O-N 3.39Å; T582-I586 VanDerWaalsContact O-N 3.09Å; V583-I586 PolarHBondContact O-N 3.17Å; I586-Q588 VanDerWaalsContact C-N 3.29Å; I586-Q588 PolarHBondContact O-N 3.01Å; I586-L590 HydrophobicContact CG2-CD1 4.17Å; I586-L590 WeakPolarHBondContact O-CB 3.38Å; I586-L590 VanDerWaalsContact O-CG 3.3Å; I586-L590 WeakPolarHBondContact O-CG 3.39Å; I586-L590 PolarHBondContact O-N 2.92Å; I586-L590 VanDerWaalsContact O-N 3.13Å
587I98Very high95.2Very high7 Ų735 Ų354%0.03618%0.176CC..Hα-helixtrans-61.6-38.9173.1-70.9165.8000111.1L521 M525 V583 E584 H585 K591L521-I587 HydrophobicContact CB-CD1 4.15Å; L521-I587 HydrophobicContact CB-CG1 3.66Å; L521-I587 WeakPolarHBondContact O-CD1 3.19Å; M525-I587 HydrophobicContact CB-CD1 3.9Å; M525-I587 HydrophobicContact CG-CD1 4.42Å; V583-I587 HydrophobicContact CG1-CD1 3.73Å; V583-I587 HydrophobicContact CG1-CG1 4.48Å; V583-I587 VanDerWaalsContact O-CG1 3.29Å; V583-I587 WeakPolarHBondContact O-CG1 3.34Å; V583-I587 PolarHBondContact O-N 3.13Å; E584-I587 PolarHBondContact O-N 3.13Å; H585-I587 VanDerWaalsContact C-N 3.35Å; H585-I587 PolarHBondContact O-N 3.2Å; I587-K591 HydrophobicContact CG2-CD 4.47Å; I587-K591 VanDerWaalsContact CG2-CE 3.49Å; I587-K591 VanDerWaalsContact CG2-NZ 3.35Å; I587-K591 WeakPolarHBondContact O-CG 3.3Å; I587-K591 PolarHBondContact O-N 3.05Å
588Q95.9Very high95.3Very high82 Ų8232 Ų3238%0.38316%0.158SC..Hα-helixtrans-75-44.9-178.2-171.753.241.300112.5E584 H585 I586 L590 K591 D592E584-Q588 WeakPolarHBondContact O-CB 3.45Å; E584-Q588 PolarHBondContact O-N 2.74Å; H585-Q588 PolarHBondContact O-N 3.2Å; H585-Q588 VanDerWaalsContact O-N 3.14Å; I586-Q588 VanDerWaalsContact C-N 3.29Å; I586-Q588 PolarHBondContact O-N 3.01Å; Q588-L590 VanDerWaalsContact C-N 3.31Å; Q588-L590 PolarHBondContact O-N 3.33Å; Q588-K591 WeakPolarHBondContact O-CA 3.48Å; Q588-K591 WeakPolarHBondContact O-CB 3.48Å; Q588-K591 PolarHBondContact O-N 3.28Å; Q588-D592 VanDerWaalsContact NE2-CG 3.29Å; Q588-D592 PolarHBondContact NE2-OD1 2.91Å; Q588-D592 PolarHBondContact NE2-OD2 3.02Å; Q588-D592 VanDerWaalsContact NE2-OD2 3.1Å; Q588-D592 PolarHBondContact O-N 2.78Å
589E94.7Very high95.3Very high6 Ų633.8 Ų33.83%0.02817%0.167CC..Hα-helixtrans-61-38.3174.9-78.7-59.4156.700112.6K341 W367 L368 H585 K591 D592 I593K341-E589 WeakPolarHBondContact CD-OE1 3.43Å; K341-E589 WeakPolarHBondContact CE-OE1 3.27Å; K341-E589 VanDerWaalsContact NZ-CD 3.34Å; K341-E589 IonicContact NZ-OE1 2.68Å; K341-E589 PolarHBondContact NZ-OE1 3.33Å; K341-E589 IonicContact NZ-OE2 3.7Å; W367-E589 HydrophobicContact CH2-CG 4.4Å; W367-E589 HydrophobicContact CZ3-CB 4.17Å; W367-E589 HydrophobicContact CZ3-CG 4.08Å; L368-E589 HydrophobicContact CD2-CB 3.98Å; H585-E589 IonicContact CE1-OE1 3.77Å; H585-E589 WeakPolarHBondContact NE2-CG 3.41Å; H585-E589 IonicContact NE2-OE1 2.7Å; H585-E589 PolarHBondContact O-N 3.09Å; E589-K591 PolarHBondContact O-N 3.46Å; E589-D592 PolarHBondContact O-N 3.26Å; E589-D592 VanDerWaalsContact O-N 3.15Å; E589-I593 HydrophobicContact CB-CD1 4.16Å; E589-I593 WeakPolarHBondContact O-CB 3.33Å; E589-I593 WeakPolarHBondContact O-CD1 3.39Å; E589-I593 WeakPolarHBondContact O-CG1 3.19Å; E589-I593 PolarHBondContact O-N 2.65Å
590L95.8Very high95.1Very high0 Ų036.5 Ų36.50%018%0.179CC..Hα-helixtrans-63.8-22.6173.8-73.5172.9000113.5L364 L368 T493 F496 V517 L518 L521 I586 Q588 F594L364-L590 HydrophobicContact CD1-CD2 4.46Å; L364-L590 HydrophobicContact CD2-CD2 4.49Å; L368-L590 HydrophobicContact CD1-CD2 4.28Å; L368-L590 HydrophobicContact CD1-CG 4.5Å; L368-L590 HydrophobicContact CD2-CD2 4.39Å; L368-L590 HydrophobicContact CD2-CG 4.25Å; T493-L590 HydrophobicContact CG2-CD1 3.82Å; F496-L590 HydrophobicContact CE1-CD2 4.03Å; V517-L590 HydrophobicContact CG1-CD1 4.4Å; L518-L590 HydrophobicContact CD2-CB 3.74Å; L518-L590 HydrophobicContact CD2-CD1 4.42Å; L521-L590 HydrophobicContact CD1-CD1 3.38Å; I586-L590 HydrophobicContact CG2-CD1 4.17Å; I586-L590 WeakPolarHBondContact O-CB 3.38Å; I586-L590 VanDerWaalsContact O-CG 3.3Å; I586-L590 WeakPolarHBondContact O-CG 3.39Å; I586-L590 PolarHBondContact O-N 2.92Å; I586-L590 VanDerWaalsContact O-N 3.13Å; Q588-L590 VanDerWaalsContact C-N 3.31Å; Q588-L590 PolarHBondContact O-N 3.33Å; L590-F594 HydrophobicContact CD2-CD2 4.31Å; L590-F594 HydrophobicContact CD2-CE2 4.02Å; L590-F594 WeakPolarHBondContact O-CD2 3.44Å
591K95.1Very high94.9Very high91 Ų9135.6 Ų35.640%0.39617%0.173SC..Hα-helixtrans-81.8-39.2171.4-65.4163.5-172.2170.70111.5L518 I587 Q588 E589L518-K591 HydrophobicContact CD1-CG 4.4Å; L518-K591 HydrophobicContact CD2-CG 4.23Å; I587-K591 HydrophobicContact CG2-CD 4.47Å; I587-K591 VanDerWaalsContact CG2-CE 3.49Å; I587-K591 VanDerWaalsContact CG2-NZ 3.35Å; I587-K591 WeakPolarHBondContact O-CG 3.3Å; I587-K591 PolarHBondContact O-N 3.05Å; Q588-K591 WeakPolarHBondContact O-CA 3.48Å; Q588-K591 WeakPolarHBondContact O-CB 3.48Å; Q588-K591 PolarHBondContact O-N 3.28Å; E589-K591 PolarHBondContact O-N 3.46Å
592D92.1Very high94.8Very high54 Ų5433.9 Ų33.929%0.28916%0.162SC..Hα-helixtrans-76.8-39.4-174-63.4-29000112.8K341 Q588 E589K341-D592 WeakPolarHBondContact CE-OD2 3.35Å; K341-D592 IonicContact NZ-OD2 2.68Å; K341-D592 PolarHBondContact NZ-OD2 2.9Å; Q588-D592 VanDerWaalsContact NE2-CG 3.29Å; Q588-D592 PolarHBondContact NE2-OD1 2.91Å; Q588-D592 PolarHBondContact NE2-OD2 3.02Å; Q588-D592 VanDerWaalsContact NE2-OD2 3.1Å; Q588-D592 PolarHBondContact O-N 2.78Å; E589-D592 PolarHBondContact O-N 3.26Å; E589-D592 VanDerWaalsContact O-N 3.15Å
593I92.8Very high94.6Very high0 Ų035.3 Ų35.30%017%0.169CC..Hα-helixtrans-70.1-38.4176-60162.4000111Y356 L358 W367 E589 S595 H598Y356-I593 HydrophobicContact CE1-CG1 4.23Å; L358-I593 HydrophobicContact CB-CG2 4.31Å; W367-I593 HydrophobicContact CE3-CD1 3.78Å; W367-I593 HydrophobicContact CH2-CD1 3.68Å; W367-I593 HydrophobicContact CH2-CG1 4.17Å; W367-I593 HydrophobicContact CZ2-CD1 4.42Å; W367-I593 HydrophobicContact CZ3-CD1 3.33Å; W367-I593 HydrophobicContact CZ3-CG1 4.29Å; E589-I593 HydrophobicContact CB-CD1 4.16Å; E589-I593 WeakPolarHBondContact O-CB 3.33Å; E589-I593 WeakPolarHBondContact O-CD1 3.39Å; E589-I593 WeakPolarHBondContact O-CG1 3.19Å; E589-I593 PolarHBondContact O-N 2.65Å; I593-S595 VanDerWaalsContact C-N 3.33Å; I593-S595 PolarHBondContact O-N 2.98Å; I593-H598 PolarHBondContact O-ND1 3.44Å
594F94.5Very high94.4Very high8 Ų835.4 Ų35.44%0.03517%0.169CC..THydrogen-bonded Turntrans-98.454.7-177.5-65.6-83000112L358 F496 L500 L514 L590 H598 L599 L602L358-F594 HydrophobicContact CD2-CE1 4.37Å; L358-F594 HydrophobicContact CD2-CE2 4.3Å; L358-F594 HydrophobicContact CD2-CZ 3.58Å; F496-F594 AromaticContact CE1-CE2 3.97Å; F496-F594 HydrophobicContact CE1-CE2 3.97Å; F496-F594 HydrophobicContact CE1-CZ 4.07Å; F496-F594 HydrophobicContact CZ-CD2 4.48Å; F496-F594 HydrophobicContact CZ-CE1 4.22Å; F496-F594 AromaticContact CZ-CE2 3.98Å; F496-F594 HydrophobicContact CZ-CE2 3.98Å; F496-F594 AromaticContact CZ-CZ 3.85Å; F496-F594 HydrophobicContact CZ-CZ 3.85Å; L500-F594 HydrophobicContact CD1-CE1 3.99Å; L500-F594 HydrophobicContact CD1-CE2 4.44Å; L500-F594 HydrophobicContact CD1-CZ 3.47Å; L500-F594 VanDerWaalsContact CD1-CZ 3.47Å; L500-F594 HydrophobicContact CD2-CE1 3.97Å; L500-F594 HydrophobicContact CD2-CZ 4.31Å; L514-F594 HydrophobicContact CD1-CD2 4.17Å; L514-F594 HydrophobicContact CD1-CG 4.35Å; L514-F594 HydrophobicContact CD2-CB 3.35Å; L514-F594 HydrophobicContact CD2-CD1 4.44Å; L514-F594 HydrophobicContact CD2-CD2 4.45Å; L514-F594 HydrophobicContact CD2-CG 3.85Å; L590-F594 HydrophobicContact CD2-CD2 4.31Å; L590-F594 HydrophobicContact CD2-CE2 4.02Å; L590-F594 WeakPolarHBondContact O-CD2 3.44Å; F594-H598 AromaticContact CD1-CE1 3.54Å; F594-H598 AromaticContact CD1-ND1 3.57Å; F594-H598 AromaticContact CE1-CE1 3.46Å; F594-H598 VanDerWaalsContact CE1-CE1 3.46Å; F594-H598 WeakPolarHBondContact CE1-CE1 3.33Å; F594-H598 AromaticContact CE1-ND1 3.98Å; F594-L599 HydrophobicContact CB-CD2 4.26Å; F594-L599 HydrophobicContact CB-CG 4.35Å; F594-L599 HydrophobicContact CD1-CD2 4.12Å; F594-L599 WeakPolarHBondContact O-CD1 3.49Å; F594-L602 HydrophobicContact CE1-CD1 4.32Å
595S92.9Very high94.2Very high30 Ų3030.5 Ų30.521%0.2115%0.146CC..  trans-54.8158.2171.471.80000112.4I593 Q597 H598 L599I593-S595 VanDerWaalsContact C-N 3.33Å; I593-S595 PolarHBondContact O-N 2.98Å; S595-Q597 PolarHBondContact O-N 3.07Å; S595-H598 PolarHBondContact O-N 2.68Å; S595-H598 PolarHBondContact OG-N 2.67Å; S595-L599 PolarHBondContact O-N 3.49Å
596E91.6Very high94.1Very high138 Ų13828.9 Ų28.965%0.64514%0.138SC*.Hα-helixtrans-57.8-33.7179.2-156.8-156.6163.500112.2K600E596-K600 WeakPolarHBondContact O-CB 3.47Å; E596-K600 WeakPolarHBondContact O-CD 3.5Å; E596-K600 WeakPolarHBondContact O-CG 3.45Å; E596-K600 PolarHBondContact O-N 3.16Å; E596-K600 WeakPolarHBondContact OE1-CE 3.33Å; E596-K600 IonicContact OE1-NZ 2.73Å; E596-K600 PolarHBondContact OE1-NZ 2.9Å; E596-K600 IonicContact OE2-NZ 2.75Å; E596-K600 PolarHBondContact OE2-NZ 3.28Å
597Q90.8Very high93.9Very high54 Ų5428.9 Ų28.925%0.25214%0.138SC..Hα-helixtrans-68.2-45.1174.6-64.9177.3-65.900112P352 I355 S595 L599 K600 A601 M627P352-Q597 PolarHBondContact O-NE2 2.98Å; I355-Q597 HydrophobicContact CD1-CB 4.44Å; I355-Q597 HydrophobicContact CG1-CB 4.5Å; S595-Q597 PolarHBondContact O-N 3.07Å; Q597-L599 VanDerWaalsContact C-N 3.35Å; Q597-L599 PolarHBondContact O-N 3.09Å; Q597-K600 PolarHBondContact O-N 3.31Å; Q597-A601 PolarHBondContact O-N 3.46Å; Q597-M627 HydrophobicContact CB-CE 4.47Å; Q597-M627 HydrophobicContact CB-SD 3.87Å; Q597-M627 HydrophobicContact CG-SD 4.02Å; Q597-M627 WeakPolarHBondContact O-CE 3.1Å
598H94.6Very high93.8Very high1 Ų128.5 Ų28.51%0.00514%0.137CC..Hα-helixtrans-61.2-44.5176.5-179.1-157.6000111.1I355 T357 I593 F594 S595 K600 A601 L602I355-H598 HydrophobicContact CG2-CB 3.62Å; T357-H598 PolarHBondContact OG1-CE1 2.84Å; T357-H598 PolarHBondContact OG1-NE2 3.34Å; I593-H598 PolarHBondContact O-ND1 3.44Å; F594-H598 AromaticContact CD1-CE1 3.54Å; F594-H598 AromaticContact CD1-ND1 3.57Å; F594-H598 AromaticContact CE1-CE1 3.46Å; F594-H598 VanDerWaalsContact CE1-CE1 3.46Å; F594-H598 WeakPolarHBondContact CE1-CE1 3.33Å; F594-H598 AromaticContact CE1-ND1 3.98Å; S595-H598 PolarHBondContact O-N 2.68Å; S595-H598 PolarHBondContact OG-N 2.67Å; H598-K600 PolarHBondContact O-N 2.65Å; H598-A601 WeakPolarHBondContact O-CB 3.49Å; H598-A601 PolarHBondContact O-N 3.15Å; H598-L602 WeakPolarHBondContact O-CG 3.43Å; H598-L602 PolarHBondContact O-N 2.89Å
599L94Very high93.7Very high45 Ų4524.6 Ų24.624%0.23612%0.119CC..Hα-helixtrans-63.7-39.7176.5-67.9173000112.5A511 L514 F594 S595 Q597 L602 K603A511-L599 HydrophobicContact CB-CD2 4.21Å; L514-L599 HydrophobicContact CD2-CD1 4.05Å; L514-L599 HydrophobicContact CD2-CD2 4.02Å; F594-L599 HydrophobicContact CB-CD2 4.26Å; F594-L599 HydrophobicContact CB-CG 4.35Å; F594-L599 HydrophobicContact CD1-CD2 4.12Å; F594-L599 WeakPolarHBondContact O-CD1 3.49Å; S595-L599 PolarHBondContact O-N 3.49Å; Q597-L599 VanDerWaalsContact C-N 3.35Å; Q597-L599 PolarHBondContact O-N 3.09Å; L599-L602 PolarHBondContact O-N 3.37Å; L599-K603 VanDerWaalsContact O-CG 3.3Å; L599-K603 WeakPolarHBondContact O-CG 3.48Å; L599-K603 PolarHBondContact O-N 2.81Å
600K92.8Very high93.7Very high57 Ų5725.1 Ų25.125%0.24812%0.123CC..Hα-helixtrans-59.8-45.4171.7-76.1166.5-175.7165.80111.6E596 Q597 H598 K603 C604 H624 M627E596-K600 WeakPolarHBondContact O-CB 3.47Å; E596-K600 WeakPolarHBondContact O-CD 3.5Å; E596-K600 WeakPolarHBondContact O-CG 3.45Å; E596-K600 PolarHBondContact O-N 3.16Å; E596-K600 WeakPolarHBondContact OE1-CE 3.33Å; E596-K600 IonicContact OE1-NZ 2.73Å; E596-K600 PolarHBondContact OE1-NZ 2.9Å; E596-K600 IonicContact OE2-NZ 2.75Å; E596-K600 PolarHBondContact OE2-NZ 3.28Å; Q597-K600 PolarHBondContact O-N 3.31Å; H598-K600 PolarHBondContact O-N 2.65Å; K600-K603 PolarHBondContact O-N 2.9Å; K600-K603 VanDerWaalsContact O-N 3.13Å; K600-C604 PolarHBondContact O-N 3.2Å; K600-C604 PolarHBondContact O-SG 3.29Å; K600-C604 VanDerWaalsContact O-SG 3.34Å; K600-H624 HydrophobicContact CB-CB 4.17Å; K600-H624 HydrophobicContact CG-CB 4.47Å; K600-M627 HydrophobicContact CB-CE 4.4Å; K600-M627 HydrophobicContact CB-SD 4.16Å; K600-M627 HydrophobicContact CD-SD 4.3Å
601A94.1Very high93.7Very high0 Ų025.1 Ų25.10%012%0.123CC..Hα-helixtrans-61.1-44.7176.200000112.1I355 Q597 H598 K603 C604 M627 Y628 L684 L687I355-A601 HydrophobicContact CD1-CB 3.88Å; Q597-A601 PolarHBondContact O-N 3.46Å; H598-A601 WeakPolarHBondContact O-CB 3.49Å; H598-A601 PolarHBondContact O-N 3.15Å; A601-K603 VanDerWaalsContact C-N 3.25Å; A601-K603 PolarHBondContact O-N 3.43Å; A601-C604 WeakPolarHBondContact O-CB 3.39Å; A601-C604 PolarHBondContact O-N 2.89Å; A601-C604 VanDerWaalsContact O-N 3.07Å; A601-M627 HydrophobicContact CB-CE 4.14Å; A601-Y628 HydrophobicContact CB-CE2 4.4Å; A601-Y628 VanDerWaalsContact CB-OH 3.31Å; A601-Y628 WeakPolarHBondContact CB-OH 3.16Å; A601-L684 HydrophobicContact CB-CD2 4.26Å; A601-L684 VanDerWaalsContact O-CD2 3.29Å; A601-L684 WeakPolarHBondContact O-CD2 3.42Å; A601-L687 HydrophobicContact CB-CD1 3.94Å
602L94.6Very high93.6Very high0 Ų020.8 Ų20.80%010%0.104CC..Hα-helixtrans-64.4-27.9174.7-65.3-173.3000112.9L500 V507 A511 F594 H598 L599 L605 V689L500-L602 HydrophobicContact CD2-CD1 4.13Å; V507-L602 HydrophobicContact CG1-CD1 4.33Å; V507-L602 HydrophobicContact CG1-CD2 3.74Å; A511-L602 HydrophobicContact CB-CB 3.74Å; A511-L602 HydrophobicContact CB-CD1 3.79Å; A511-L602 HydrophobicContact CB-CG 4.44Å; F594-L602 HydrophobicContact CE1-CD1 4.32Å; H598-L602 WeakPolarHBondContact O-CG 3.43Å; H598-L602 PolarHBondContact O-N 2.89Å; L599-L602 PolarHBondContact O-N 3.37Å; L602-L605 HydrophobicContact CD2-CD1 4.07Å; L602-L605 VanDerWaalsContact O-CB 3.24Å; L602-L605 WeakPolarHBondContact O-CB 3.47Å; L602-L605 VanDerWaalsContact O-CG 3.23Å; L602-L605 WeakPolarHBondContact O-CG 3.47Å; L602-L605 PolarHBondContact O-N 3.01Å; L602-V689 HydrophobicContact CD2-CG1 3.97Å
603K93.1Very high93.6Very high31 Ų3119.3 Ų19.314%0.13510%0.101CC..Hα-helixtrans-75-25.2172-68.1-7.7-137.980.60113.5F508 A511 L599 K600 A601 L605 S606 E621F508-K603 HydrophobicContact CE2-CD 4.46Å; A511-K603 HydrophobicContact CB-CD 4.08Å; L599-K603 VanDerWaalsContact O-CG 3.3Å; L599-K603 WeakPolarHBondContact O-CG 3.48Å; L599-K603 PolarHBondContact O-N 2.81Å; K600-K603 PolarHBondContact O-N 2.9Å; K600-K603 VanDerWaalsContact O-N 3.13Å; A601-K603 VanDerWaalsContact C-N 3.25Å; A601-K603 PolarHBondContact O-N 3.43Å; K603-L605 PolarHBondContact O-N 3.39Å; K603-S606 VanDerWaalsContact O-CB 3.31Å; K603-S606 WeakPolarHBondContact O-CB 3.39Å; K603-S606 PolarHBondContact O-N 3.37Å; K603-S606 VanDerWaalsContact O-N 3.09Å; K603-S606 PolarHBondContact O-OG 3.26Å; K603-E621 HydrophobicContact CB-CB 4.32Å; K603-E621 VanDerWaalsContact CB-OE2 3.24Å; K603-E621 WeakPolarHBondContact CB-OE2 3.29Å; K603-E621 VanDerWaalsContact CG-OE2 3.23Å; K603-E621 WeakPolarHBondContact CG-OE2 3.48Å; K603-E621 IonicContact NZ-OE1 3.66Å; K603-E621 PolarHBondContact NZ-OE1 3.48Å; K603-E621 IonicContact NZ-OE2 3.82Å; K603-E621 PolarHBondContact NZ-OE2 2.67Å
604C93.8Very high93.5Very high1 Ų123.7 Ų23.71%0.00712%0.122CC..G310 helixtrans-65.7-11.3168.5-610000113.4K600 A601 S606 L607 A625 L684K600-C604 PolarHBondContact O-N 3.2Å; K600-C604 PolarHBondContact O-SG 3.29Å; K600-C604 VanDerWaalsContact O-SG 3.34Å; A601-C604 WeakPolarHBondContact O-CB 3.39Å; A601-C604 PolarHBondContact O-N 2.89Å; A601-C604 VanDerWaalsContact O-N 3.07Å; C604-S606 PolarHBondContact O-N 3.33Å; C604-S606 VanDerWaalsContact O-N 3.14Å; C604-L607 HydrophobicContact CB-CD1 4.49Å; C604-L607 VanDerWaalsContact O-CB 3.31Å; C604-L607 WeakPolarHBondContact O-CB 3.48Å; C604-L607 WeakPolarHBondContact O-CD1 3.48Å; C604-L607 WeakPolarHBondContact O-CG 3.23Å; C604-L607 PolarHBondContact O-N 3.08Å; C604-A625 PolarHBondContact SG-N 3.07Å; C604-L684 HydrophobicContact CB-CD1 3.65Å; C604-L684 HydrophobicContact CB-CD2 3.9Å; C604-L684 HydrophobicContact CB-CG 4.38Å
605L94.4Very high93.4Very high1 Ų125.3 Ų25.31%0.00513%0.131CC..G310 helixtrans-62.8-14.2168.4-58.3178.1000113T504 V507 F508 L602 K603 L607 V608 I662 L684 M690T504-L605 HydrophobicContact CG2-CB 3.9Å; T504-L605 HydrophobicContact CG2-CD1 4.21Å; T504-L605 HydrophobicContact CG2-CD2 3.96Å; T504-L605 HydrophobicContact CG2-CG 4.24Å; V507-L605 HydrophobicContact CB-CD1 3.86Å; V507-L605 HydrophobicContact CG1-CD1 3.88Å; F508-L605 HydrophobicContact CB-CB 4.18Å; F508-L605 HydrophobicContact CD2-CB 4.22Å; L602-L605 HydrophobicContact CD2-CD1 4.07Å; L602-L605 VanDerWaalsContact O-CB 3.24Å; L602-L605 WeakPolarHBondContact O-CB 3.47Å; L602-L605 VanDerWaalsContact O-CG 3.23Å; L602-L605 WeakPolarHBondContact O-CG 3.47Å; L602-L605 PolarHBondContact O-N 3.01Å; K603-L605 PolarHBondContact O-N 3.39Å; L605-L607 PolarHBondContact O-N 2.98Å; L605-L607 VanDerWaalsContact O-N 3.09Å; L605-V608 PolarHBondContact O-N 3.01Å; L605-I662 HydrophobicContact CD2-CD1 3.76Å; L605-I662 HydrophobicContact CD2-CG1 4.45Å; L605-L684 HydrophobicContact CD2-CB 4.43Å; L605-M690 HydrophobicContact CD1-SD 4.08Å; L605-M690 HydrophobicContact CD2-CE 4.26Å; L605-M690 HydrophobicContact CD2-SD 4.04Å
606S93.7Very high93.3Very high0 Ų032.4 Ų32.40%016%0.158CC..G310 helixtrans-58.4-13.3166.959.20000114.5K603 C604 V608 M612K603-S606 VanDerWaalsContact O-CB 3.31Å; K603-S606 WeakPolarHBondContact O-CB 3.39Å; K603-S606 PolarHBondContact O-N 3.37Å; K603-S606 VanDerWaalsContact O-N 3.09Å; K603-S606 PolarHBondContact O-OG 3.26Å; C604-S606 PolarHBondContact O-N 3.33Å; C604-S606 VanDerWaalsContact O-N 3.14Å; S606-V608 VanDerWaalsContact C-N 3.28Å; S606-V608 PolarHBondContact O-N 2.85Å; S606-M612 WeakPolarHBondContact O-CG 3.4Å
607L93.3Very high93.1Very high0 Ų027.4 Ų27.40%013%0.134CC..G310 helixtrans-69.8-20.9171.5-63.9173.5000113.6C604 L605 E622 L642 W645 L680 L681 L684C604-L607 HydrophobicContact CB-CD1 4.49Å; C604-L607 VanDerWaalsContact O-CB 3.31Å; C604-L607 WeakPolarHBondContact O-CB 3.48Å; C604-L607 WeakPolarHBondContact O-CD1 3.48Å; C604-L607 WeakPolarHBondContact O-CG 3.23Å; C604-L607 PolarHBondContact O-N 3.08Å; L605-L607 PolarHBondContact O-N 2.98Å; L605-L607 VanDerWaalsContact O-N 3.09Å; L607-E622 HydrophobicContact CD2-CG 4.04Å; L607-L642 HydrophobicContact CD2-CD2 3.26Å; L607-W645 PolarHBondContact O-NE1 3.45Å; L607-L680 HydrophobicContact CD1-CB 3.83Å; L607-L680 HydrophobicContact CD1-CD1 3.92Å; L607-L680 HydrophobicContact CD1-CG 4.39Å; L607-L681 HydrophobicContact CB-CD2 4.31Å; L607-L684 HydrophobicContact CD1-CD1 4.26Å
608V94.8Very high92.7Very high0 Ų030.7 Ų30.70%015%0.153CC..SBendtrans-77.1130.6-179.2177.80000110.1T504 L605 S606 S610 V611 M612 P659 I662 L681T504-V608 HydrophobicContact CG2-CB 4.16Å; T504-V608 HydrophobicContact CG2-CG1 4.43Å; T504-V608 HydrophobicContact CG2-CG2 3.9Å; L605-V608 PolarHBondContact O-N 3.01Å; S606-V608 VanDerWaalsContact C-N 3.28Å; S606-V608 PolarHBondContact O-N 2.85Å; V608-S610 VanDerWaalsContact C-N 3.32Å; V608-S610 PolarHBondContact O-N 3.44Å; V608-V611 HydrophobicContact CB-CG2 4.19Å; V608-V611 WeakPolarHBondContact O-CB 3.37Å; V608-V611 PolarHBondContact O-N 3.11Å; V608-M612 PolarHBondContact O-N 3.4Å; V608-P659 WeakPolarHBondContact CG1-O 3.25Å; V608-I662 HydrophobicContact CG2-CG1 3.88Å; V608-L681 HydrophobicContact CG2-CD2 3.94Å
609P94.6Very high91.5Very high0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-57.4-34.4-169.4-29.736.7000115.9M612 G613 W645 W649 L658 P659P609-M612 WeakPolarHBondContact O-CB 3.36Å; P609-M612 PolarHBondContact O-N 3.49Å; P609-G613 PolarHBondContact O-N 3.23Å; P609-W645 HydrophobicContact CG-CZ2 4.04Å; P609-W649 HydrophobicContact CB-CB 4.45Å; P609-W649 HydrophobicContact CB-CD2 3.74Å; P609-W649 HydrophobicContact CB-CE3 4.07Å; P609-W649 HydrophobicContact CB-CG 3.87Å; P609-W649 HydrophobicContact CG-CD2 3.76Å; P609-W649 HydrophobicContact CG-CE3 4.4Å; P609-W649 HydrophobicContact CG-CG 3.97Å; P609-W649 HydrophobicContact CG-CZ2 4.06Å; P609-L658 HydrophobicContact CB-CB 4.19Å; P609-L658 HydrophobicContact CB-CD2 3.68Å; P609-P659 HydrophobicContact CB-CB 4.47Å; P609-P659 HydrophobicContact CB-CG 4.5Å; P609-P659 HydrophobicContact CG-CB 4.06Å; P609-P659 HydrophobicContact CG-CG 4.12Å
610S94.8Very high90.6Very high16 Ų1632.2 Ų32.211%0.11217%0.167CC..Hα-helixtrans-59.5-47174.557.40000112.3V608 G613 Q614 P659 S660V608-S610 VanDerWaalsContact C-N 3.32Å; V608-S610 PolarHBondContact O-N 3.44Å; S610-G613 WeakPolarHBondContact O-CA 3.16Å; S610-G613 PolarHBondContact O-N 3.29Å; S610-G613 VanDerWaalsContact O-N 3.1Å; S610-Q614 WeakPolarHBondContact O-CG 3.47Å; S610-Q614 PolarHBondContact O-N 3.01Å; S610-P659 WeakPolarHBondContact CB-O 3.31Å; S610-P659 PolarHBondContact N-O 2.66Å; S610-P659 PolarHBondContact OG-O 3.35Å; S610-S660 PolarHBondContact OG-O 3.33Å
611V94.6Very high89.6Confident0 Ų031.9 Ų31.90%017%0.167CC..Hα-helixtrans-65.1-42.3178.6-1680000110.1T504 F508 V608 G613 Q614 L615T504-V611 HydrophobicContact CG2-CG2 4.37Å; F508-V611 HydrophobicContact CB-CG1 4.16Å; F508-V611 HydrophobicContact CD1-CG1 3.6Å; F508-V611 HydrophobicContact CD2-CG1 4.03Å; F508-V611 HydrophobicContact CE1-CG1 4.02Å; F508-V611 HydrophobicContact CE2-CG1 4.38Å; F508-V611 HydrophobicContact CG-CG1 3.63Å; F508-V611 HydrophobicContact CZ-CG1 4.39Å; V608-V611 HydrophobicContact CB-CG2 4.19Å; V608-V611 WeakPolarHBondContact O-CB 3.37Å; V608-V611 PolarHBondContact O-N 3.11Å; V611-G613 VanDerWaalsContact C-N 3.28Å; V611-G613 PolarHBondContact O-N 2.93Å; V611-Q614 PolarHBondContact O-N 3.43Å; V611-L615 HydrophobicContact CG1-CD1 4.07Å; V611-L615 HydrophobicContact CG1-CG 4.47Å; V611-L615 WeakPolarHBondContact O-CB 3.45Å; V611-L615 VanDerWaalsContact O-CG 3.31Å; V611-L615 WeakPolarHBondContact O-CG 3.37Å; V611-L615 PolarHBondContact O-N 3.27Å
612M93.6Very high88.3Confident0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-55.7-43.2170.4-66.4-161.8166.100112.3S606 V608 P609 L615 K616 F617 T619 R646S606-M612 WeakPolarHBondContact O-CG 3.4Å; V608-M612 PolarHBondContact O-N 3.4Å; P609-M612 WeakPolarHBondContact O-CB 3.36Å; P609-M612 PolarHBondContact O-N 3.49Å; M612-L615 CarbonylContact O-C 3.57Å; M612-L615 PolarHBondContact O-N 3.01Å; M612-K616 PolarHBondContact O-N 3.48Å; M612-K616 VanDerWaalsContact O-N 3.12Å; M612-F617 HydrophobicContact CB-CD1 3.71Å; M612-F617 HydrophobicContact CB-CE1 3.67Å; M612-F617 PolarHBondContact O-N 2.81Å; M612-F617 HydrophobicContact SD-CD1 4.31Å; M612-F617 HydrophobicContact SD-CE1 4.49Å; M612-T619 HydrophobicContact CG-CG2 4.13Å; M612-R646 HydrophobicContact CE-CB 4.4Å; M612-R646 HydrophobicContact SD-CB 4.37Å; M612-R646 HydrophobicContact SD-CG 4.2Å
613G91.9Very high87.5Confident23 Ų2339 Ų3924%0.23720%0.2CC..Hα-helixtrans-62.4-45.3177.800000112.9P609 S610 V611 K616P609-G613 PolarHBondContact O-N 3.23Å; S610-G613 WeakPolarHBondContact O-CA 3.16Å; S610-G613 PolarHBondContact O-N 3.29Å; S610-G613 VanDerWaalsContact O-N 3.1Å; V611-G613 VanDerWaalsContact C-N 3.28Å; V611-G613 PolarHBondContact O-N 2.93Å; G613-K616 PolarHBondContact O-N 3.4Å
614Q92.2Very high87.1Confident93 Ų9340.5 Ų40.544%0.43521%0.207SC..Hα-helixtrans-63.9-40.2176.2-67.6162.9-13.400111.7F509 S610 V611 K616F509-Q614 HydrophobicContact CE2-CB 4.29Å; F509-Q614 HydrophobicContact CZ-CB 4.2Å; S610-Q614 WeakPolarHBondContact O-CG 3.47Å; S610-Q614 PolarHBondContact O-N 3.01Å; V611-Q614 PolarHBondContact O-N 3.43Å; Q614-K616 PolarHBondContact O-N 3.17Å
615L91.1Very high86.7Confident42 Ų4240.4 Ų40.422%0.2221%0.207CC..THydrogen-bonded Turntrans-73.33.8171.8-67.1173.5000114F508 F509 V611 M612 F617 N618 T619F508-L615 HydrophobicContact CE1-CD1 4.02Å; F508-L615 HydrophobicContact CE1-CD2 4.01Å; F508-L615 HydrophobicContact CE1-CG 4.3Å; F508-L615 HydrophobicContact CZ-CD1 3.76Å; F508-L615 HydrophobicContact CZ-CD2 4.26Å; F508-L615 HydrophobicContact CZ-CG 4.48Å; F509-L615 HydrophobicContact CE1-CD2 4.44Å; V611-L615 HydrophobicContact CG1-CD1 4.07Å; V611-L615 HydrophobicContact CG1-CG 4.47Å; V611-L615 WeakPolarHBondContact O-CB 3.45Å; V611-L615 VanDerWaalsContact O-CG 3.31Å; V611-L615 WeakPolarHBondContact O-CG 3.37Å; V611-L615 PolarHBondContact O-N 3.27Å; M612-L615 CarbonylContact O-C 3.57Å; M612-L615 PolarHBondContact O-N 3.01Å; L615-F617 PolarHBondContact O-N 3.17Å; L615-F617 VanDerWaalsContact O-N 3.14Å; L615-N618 WeakPolarHBondContact O-CB 3.18Å; L615-N618 PolarHBondContact O-N 3.39Å; L615-T619 HydrophobicContact CB-CG2 4.49Å; L615-T619 HydrophobicContact CD1-CG2 3.8Å
616K90.9Very high86.3Confident179 Ų17944 Ų4478%0.77823%0.226SC*.THydrogen-bonded Turntrans54.829.8-178.2-55.5172.8-175.4170.30113.1M612 G613 Q614 N618M612-K616 PolarHBondContact O-N 3.48Å; M612-K616 VanDerWaalsContact O-N 3.12Å; G613-K616 PolarHBondContact O-N 3.4Å; Q614-K616 PolarHBondContact O-N 3.17Å; K616-N618 PolarHBondContact O-N 3.13Å
617F88.3Confident86.1Confident33 Ų3345.7 Ų45.715%0.14523%0.234CC..THydrogen-bonded Turntrans61.220.9-173.8-53.2-85.4000114.8M612 L615 T619 R646 W649 K650M612-F617 HydrophobicContact CB-CD1 3.71Å; M612-F617 HydrophobicContact CB-CE1 3.67Å; M612-F617 PolarHBondContact O-N 2.81Å; M612-F617 HydrophobicContact SD-CD1 4.31Å; M612-F617 HydrophobicContact SD-CE1 4.49Å; L615-F617 PolarHBondContact O-N 3.17Å; L615-F617 VanDerWaalsContact O-N 3.14Å; F617-T619 VanDerWaalsContact C-N 3.3Å; F617-T619 PolarHBondContact O-N 2.59Å; F617-R646 HydrophobicContact CB-CG 4.33Å; F617-R646 HydrophobicContact CD1-CG 4.35Å; F617-R646 PolarHBondContact O-NH1 3.19Å; F617-W649 HydrophobicContact CE1-CB 3.8Å; F617-W649 HydrophobicContact CZ-CB 4.46Å; F617-W649 WeakPolarHBondContact CZ-O 3.14Å; F617-K650 HydrophobicContact CB-CB 4.47Å; F617-K650 HydrophobicContact CB-CD 4.22Å; F617-K650 HydrophobicContact CB-CG 4.42Å; F617-K650 HydrophobicContact CD1-CB 3.9Å; F617-K650 HydrophobicContact CD2-CB 4.04Å; F617-K650 HydrophobicContact CD2-CG 3.95Å; F617-K650 HydrophobicContact CE1-CB 4.17Å; F617-K650 HydrophobicContact CE2-CB 4.3Å; F617-K650 HydrophobicContact CE2-CG 4.44Å; F617-K650 HydrophobicContact CG-CB 3.85Å; F617-K650 HydrophobicContact CG-CD 4.39Å; F617-K650 HydrophobicContact CG-CG 4.05Å; F617-K650 HydrophobicContact CZ-CB 4.37Å
618N81.4Confident86Confident123 Ų12345.8 Ų45.866%0.65824%0.235SC*.  trans-91.159.1170.9-170.941000111.5L615 K616 S620L615-N618 WeakPolarHBondContact O-CB 3.18Å; L615-N618 PolarHBondContact O-N 3.39Å; K616-N618 PolarHBondContact O-N 3.13Å; N618-S620 PolarHBondContact O-N 3.37Å; N618-S620 VanDerWaalsContact O-N 3.16Å
619T70.4Confident85.8Confident1 Ų150.1 Ų50.11%0.00625%0.251CS..  trans-8484.6-17938.70000111M612 L615 F617 E622 R646M612-T619 HydrophobicContact CG-CG2 4.13Å; L615-T619 HydrophobicContact CB-CG2 4.49Å; L615-T619 HydrophobicContact CD1-CG2 3.8Å; F617-T619 VanDerWaalsContact C-N 3.3Å; F617-T619 PolarHBondContact O-N 2.59Å; T619-E622 WeakPolarHBondContact CB-OE1 3.17Å; T619-E622 PolarHBondContact OG1-OE1 3.41Å; T619-R646 PolarHBondContact O-NH1 3.21Å; T619-R646 PolarHBondContact O-NH2 3.5Å; T619-R646 PolarHBondContact OG1-NE 2.93Å; T619-R646 PolarHBondContact OG1-NH1 3.42Å; T619-R646 PolarHBondContact OG1-NH2 3.22Å
620S74.6Confident85.7Confident76 Ų7654.5 Ų54.553%0.53128%0.281SS..  trans-78.7-22.3168.250.10000112.7N618 E622 H623N618-S620 PolarHBondContact O-N 3.37Å; N618-S620 VanDerWaalsContact O-N 3.16Å; S620-E622 PolarHBondContact O-N 3.33Å; S620-H623 PolarHBondContact O-ND1 3.15Å
621E71.4Confident85.6Confident50 Ų5054.5 Ų54.523%0.23428%0.28CS..G310 helixtrans-75-7.7-178.1-62.5-170.4-17400113.9F508 K603 H623 H624F508-E621 WeakPolarHBondContact CE2-OE2 3.48Å; F508-E621 WeakPolarHBondContact CZ-OE2 3.3Å; K603-E621 HydrophobicContact CB-CB 4.32Å; K603-E621 VanDerWaalsContact CB-OE2 3.24Å; K603-E621 WeakPolarHBondContact CB-OE2 3.29Å; K603-E621 VanDerWaalsContact CG-OE2 3.23Å; K603-E621 WeakPolarHBondContact CG-OE2 3.48Å; K603-E621 IonicContact NZ-OE1 3.66Å; K603-E621 PolarHBondContact NZ-OE1 3.48Å; K603-E621 IonicContact NZ-OE2 3.82Å; K603-E621 PolarHBondContact NZ-OE2 2.67Å; E621-H623 PolarHBondContact O-N 3.09Å; E621-H623 VanDerWaalsContact O-N 3.11Å; E621-H624 WeakPolarHBondContact O-CB 3.31Å; E621-H624 PolarHBondContact O-CD2 2.84Å; E621-H624 PolarHBondContact O-N 3.32Å
622E68.2Low85.6Confident11 Ų1155.1 Ų55.15%0.05128%0.283CS..G310 helixtrans-55.5-26.2174.1-86.6171.6-146.300113.5L607 T619 S620 H624 A625 L642 R646L607-E622 HydrophobicContact CD2-CG 4.04Å; T619-E622 WeakPolarHBondContact CB-OE1 3.17Å; T619-E622 PolarHBondContact OG1-OE1 3.41Å; S620-E622 PolarHBondContact O-N 3.33Å; E622-H624 PolarHBondContact O-N 3.48Å; E622-H624 VanDerWaalsContact O-N 3.16Å; E622-A625 VanDerWaalsContact O-CB 3.23Å; E622-A625 WeakPolarHBondContact O-CB 3.32Å; E622-A625 PolarHBondContact O-N 2.73Å; E622-L642 HydrophobicContact CB-CD1 4.26Å; E622-L642 HydrophobicContact CG-CD2 4.47Å; E622-R646 IonicContact OE1-CZ 3.7Å; E622-R646 IonicContact OE1-NE 2.93Å; E622-R646 PolarHBondContact OE1-NE 3.42Å; E622-R646 VanDerWaalsContact OE1-NE 3.14Å; E622-R646 IonicContact OE1-NH2 3.95Å; E622-R646 PolarHBondContact OE1-NH2 3.44Å; E622-R646 IonicContact OE2-CZ 2.73Å; E622-R646 IonicContact OE2-NE 2.8Å; E622-R646 IonicContact OE2-NH2 3.16Å; E622-R646 PolarHBondContact OE2-NH2 3.14Å
623H77.8Confident85.6Confident138 Ų13858.8 Ų58.864%0.63931%0.308SS*.G310 helixtrans-63.9-15.8175.9-58.395.7000113.8S620 E621 A625 D626S620-H623 PolarHBondContact O-ND1 3.15Å; E621-H623 PolarHBondContact O-N 3.09Å; E621-H623 VanDerWaalsContact O-N 3.11Å; H623-A625 PolarHBondContact O-N 3.09Å; H623-D626 PolarHBondContact O-N 3.14Å
624H84.5Confident85.8Confident63 Ų6361.6 Ų61.629%0.29232%0.317SS..G310 helixtrans-69.6-16.3173.5-61.2-46.1000112.7K600 E621 E622 D626 M627K600-H624 HydrophobicContact CB-CB 4.17Å; K600-H624 HydrophobicContact CG-CB 4.47Å; E621-H624 WeakPolarHBondContact O-CB 3.31Å; E621-H624 PolarHBondContact O-CD2 2.84Å; E621-H624 PolarHBondContact O-N 3.32Å; E622-H624 PolarHBondContact O-N 3.48Å; E622-H624 VanDerWaalsContact O-N 3.16Å; H624-D626 PolarHBondContact O-N 3.15Å; H624-M627 WeakPolarHBondContact O-CB 3.5Å; H624-M627 PolarHBondContact O-N 3.41Å
625A84.6Confident85.8Confident0 Ų059 Ų590%031%0.309CS..G310 helixtrans-64.5-23.117500000113.6C604 E622 H623 M627 Y628 L638 L680C604-A625 PolarHBondContact SG-N 3.07Å; E622-A625 VanDerWaalsContact O-CB 3.23Å; E622-A625 WeakPolarHBondContact O-CB 3.32Å; E622-A625 PolarHBondContact O-N 2.73Å; H623-A625 PolarHBondContact O-N 3.09Å; A625-M627 PolarHBondContact O-N 3.46Å; A625-M627 VanDerWaalsContact O-N 3.14Å; A625-Y628 PolarHBondContact O-N 2.6Å; A625-L638 HydrophobicContact CB-CD2 4.32Å; A625-L680 HydrophobicContact CB-CD1 3.81Å; A625-L680 HydrophobicContact CB-CD2 3.94Å
626D85.6Confident85.9Confident75 Ų7564 Ų6440%0.40134%0.335SS..G310 helixtrans-63.6-14.8174.5-81.5-59.2000113H623 H624 Y628 R629H623-D626 PolarHBondContact O-N 3.14Å; H624-D626 PolarHBondContact O-N 3.15Å; D626-Y628 PolarHBondContact O-N 3.43Å; D626-R629 VanDerWaalsContact O-CB 3.22Å; D626-R629 WeakPolarHBondContact O-CB 3.49Å; D626-R629 PolarHBondContact O-N 3.48Å; D626-R629 IonicContact OD1-CZ 2.7Å; D626-R629 IonicContact OD1-NH1 3.42Å; D626-R629 PolarHBondContact OD1-NH1 3.02Å
627M88.8Confident86Confident37 Ų3758.5 Ų58.518%0.18232%0.317CS..G310 helixtrans-62-30169.9-170.1174.374.800112.4Q353 I355 Q597 K600 A601 H624 A625Q353-M627 PolarHBondContact NE2-O 3.02Å; I355-M627 HydrophobicContact CD1-CE 3.93Å; Q597-M627 HydrophobicContact CB-CE 4.47Å; Q597-M627 HydrophobicContact CB-SD 3.87Å; Q597-M627 HydrophobicContact CG-SD 4.02Å; Q597-M627 WeakPolarHBondContact O-CE 3.1Å; K600-M627 HydrophobicContact CB-CE 4.4Å; K600-M627 HydrophobicContact CB-SD 4.16Å; K600-M627 HydrophobicContact CD-SD 4.3Å; A601-M627 HydrophobicContact CB-CE 4.14Å; H624-M627 WeakPolarHBondContact O-CB 3.5Å; H624-M627 PolarHBondContact O-N 3.41Å; A625-M627 PolarHBondContact O-N 3.46Å; A625-M627 VanDerWaalsContact O-N 3.14Å
628Y91.3Very high86.2Confident1 Ų157.2 Ų57.20%0.00431%0.312CS..G310 helixtrans-99.518.7177.5-61.2-60.5000112.5I355 A601 A625 D626 S630 D631 L632 L680 V683 L684I355-Y628 WeakPolarHBondContact CD1-OH 3.16Å; A601-Y628 HydrophobicContact CB-CE2 4.4Å; A601-Y628 VanDerWaalsContact CB-OH 3.31Å; A601-Y628 WeakPolarHBondContact CB-OH 3.16Å; A625-Y628 PolarHBondContact O-N 2.6Å; D626-Y628 PolarHBondContact O-N 3.43Å; Y628-S630 PolarHBondContact O-N 3.36Å; Y628-D631 WeakPolarHBondContact CD1-OD2 3.4Å; Y628-D631 WeakPolarHBondContact O-CB 3.48Å; Y628-D631 PolarHBondContact O-N 3.32Å; Y628-L632 WeakPolarHBondContact O-CG 3.39Å; Y628-L680 HydrophobicContact CD2-CD2 3.94Å; Y628-L680 HydrophobicContact CG-CD2 4.36Å; Y628-V683 HydrophobicContact CD1-CG1 3.73Å; Y628-V683 HydrophobicContact CD2-CG1 4.29Å; Y628-V683 HydrophobicContact CE1-CG1 3.55Å; Y628-V683 HydrophobicContact CE2-CG1 4.13Å; Y628-V683 HydrophobicContact CG-CG1 4.1Å; Y628-L684 HydrophobicContact CE2-CD2 4.1Å
629R91.6Very high86.7Confident91 Ų9156 Ų5634%0.34331%0.313SS..G310 helixtrans-55.8-28-175.3-169.7176.6-171.574.114.4114D626 D631 P635 D636D626-R629 VanDerWaalsContact O-CB 3.22Å; D626-R629 WeakPolarHBondContact O-CB 3.49Å; D626-R629 PolarHBondContact O-N 3.48Å; D626-R629 IonicContact OD1-CZ 2.7Å; D626-R629 IonicContact OD1-NH1 3.42Å; D626-R629 PolarHBondContact OD1-NH1 3.02Å; R629-D631 VanDerWaalsContact C-N 3.28Å; R629-D631 PolarHBondContact O-N 3.42Å; R629-P635 HydrophobicContact CG-CB 3.78Å; R629-P635 PolarHBondContact NH1-O 3.24Å; R629-P635 VanDerWaalsContact NH1-O 3.17Å; R629-P635 PolarHBondContact NH2-O 3.22Å; R629-P635 WeakPolarHBondContact O-CG 3.36Å; R629-D636 IonicContact CZ-OD1 3.9Å; R629-D636 IonicContact NH2-OD1 3.18Å; R629-D636 PolarHBondContact NH2-OD1 3.09Å
630S91.8Very high87.8Confident92 Ų9259.1 Ų59.164%0.64334%0.339SS*.G310 helixtrans-66.5-24.8173.649.80000114.5Y628Y628-S630 PolarHBondContact O-N 3.36Å
631D93.1Very high88.7Confident17 Ų1756.4 Ų56.49%0.09132%0.317CS..G310 helixtrans-99-1.3-167.4-54.5-13.5000112F259 R326 Y628 R629F259-D631 HydrophobicContact CE1-CB 4.09Å; F259-D631 HydrophobicContact CE2-CB 4.36Å; F259-D631 HydrophobicContact CZ-CB 3.6Å; R326-D631 IonicContact CZ-OD1 2.65Å; R326-D631 IonicContact CZ-OD2 2.63Å; R326-D631 IonicContact NE-OD1 2.68Å; R326-D631 IonicContact NE-OD2 3.59Å; R326-D631 PolarHBondContact NE-OD2 3.08Å; R326-D631 IonicContact NH2-OD1 3.45Å; R326-D631 PolarHBondContact NH2-OD1 2.84Å; R326-D631 IonicContact NH2-OD2 3.68Å; R326-D631 PolarHBondContact NH2-OD2 3.33Å; Y628-D631 WeakPolarHBondContact CD1-OD2 3.4Å; Y628-D631 WeakPolarHBondContact O-CB 3.48Å; Y628-D631 PolarHBondContact O-N 3.32Å; R629-D631 VanDerWaalsContact C-N 3.28Å; R629-D631 PolarHBondContact O-N 3.42Å
632L94.1Very high89.7Confident12 Ų1254.4 Ų54.46%0.06331%0.308CS..  trans-91.3132.8-172.4-59.1-175.7000111.6Y628 N634 P635 L638 N676 A679 L680Y628-L632 WeakPolarHBondContact O-CG 3.39Å; L632-N634 VanDerWaalsContact C-N 3.26Å; L632-N634 PolarHBondContact O-N 3.21Å; L632-P635 HydrophobicContact CB-CB 4.27Å; L632-P635 HydrophobicContact CB-CG 4.05Å; L632-P635 HydrophobicContact CD1-CB 4.46Å; L632-P635 WeakPolarHBondContact O-CD 3.27Å; L632-L638 HydrophobicContact CD1-CB 4.24Å; L632-L638 HydrophobicContact CD1-CD1 3.98Å; L632-L638 HydrophobicContact CD1-CD2 3.72Å; L632-L638 HydrophobicContact CD1-CG 4.18Å; L632-N676 WeakPolarHBondContact CB-OD1 3.32Å; L632-N676 HydrophobicContact CD2-CB 4.32Å; L632-A679 HydrophobicContact CD2-CB 4.43Å; L632-L680 HydrophobicContact CD2-CD1 4.17Å; L632-L680 HydrophobicContact CD2-CD2 3.95Å; L632-L680 HydrophobicContact CD2-CG 3.68Å
633P94.7Very high90.9Very high78 Ų7859.2 Ų59.251%0.50633%0.33SS..SBendtrans-60.1-31.9175.4-26.635.4000114.3P675 A679P633-P675 HydrophobicContact CG-CB 4.49Å; P633-A679 HydrophobicContact CG-CB 4.28Å
634N94.8Very high91.6Very high82 Ų8256 Ų5644%0.43932%0.322SS..SBendtrans-141.373.6-179.4-64.1-85.7000110.4L632 D636 T637 N676L632-N634 VanDerWaalsContact C-N 3.26Å; L632-N634 PolarHBondContact O-N 3.21Å; N634-D636 PolarHBondContact O-N 3.36Å; N634-D636 VanDerWaalsContact O-N 3.08Å; N634-T637 HydrophobicContact CB-CG2 4.44Å; N634-T637 WeakPolarHBondContact CB-OG1 3.31Å; N634-T637 PolarHBondContact O-N 2.96Å; N634-T637 VanDerWaalsContact O-N 3.08Å; N634-T637 PolarHBondContact O-OG1 3.48Å; N634-T637 VanDerWaalsContact O-OG1 3.05Å; N634-N676 PolarHBondContact N-OD1 3.35Å; N634-N676 PolarHBondContact O-ND2 2.86Å; N634-N676 PolarHBondContact O-OD1 3.18Å
635P93.3Very high92.1Very high39 Ų3953 Ų5325%0.25331%0.309SS..THydrogen-bonded Turntrans-59.5-29.2-169.1-19.128.2000114.3R629 L632 L638R629-P635 HydrophobicContact CG-CB 3.78Å; R629-P635 PolarHBondContact NH1-O 3.24Å; R629-P635 VanDerWaalsContact NH1-O 3.17Å; R629-P635 PolarHBondContact NH2-O 3.22Å; R629-P635 WeakPolarHBondContact O-CG 3.36Å; L632-P635 HydrophobicContact CB-CB 4.27Å; L632-P635 HydrophobicContact CB-CG 4.05Å; L632-P635 HydrophobicContact CD1-CB 4.46Å; L632-P635 WeakPolarHBondContact O-CD 3.27Å; P635-L638 WeakPolarHBondContact O-CB 3.35Å
636D93.3Very high92.5Very high145 Ų14555.7 Ų55.778%0.77532%0.319SS*.THydrogen-bonded Turntrans-78.6-19.8-177.6-59.3-30.2000113.3R629 N634R629-D636 IonicContact CZ-OD1 3.9Å; R629-D636 IonicContact NH2-OD1 3.18Å; R629-D636 PolarHBondContact NH2-OD1 3.09Å; N634-D636 PolarHBondContact O-N 3.36Å; N634-D636 VanDerWaalsContact O-N 3.08Å
637T93.3Very high92.8Very high65 Ų6555.3 Ų55.340%0.39932%0.316SS..THydrogen-bonded Turntrans-90.5-8.1175.364.80000113.3N634 S639 A640 E641 N676N634-T637 HydrophobicContact CB-CG2 4.44Å; N634-T637 WeakPolarHBondContact CB-OG1 3.31Å; N634-T637 PolarHBondContact O-N 2.96Å; N634-T637 VanDerWaalsContact O-N 3.08Å; N634-T637 PolarHBondContact O-OG1 3.48Å; N634-T637 VanDerWaalsContact O-OG1 3.05Å; T637-S639 PolarHBondContact O-N 2.89Å; T637-A640 PolarHBondContact O-N 2.9Å; T637-A640 VanDerWaalsContact O-N 3.1Å; T637-E641 PolarHBondContact O-N 2.98Å; T637-N676 PolarHBondContact OG1-ND2 3.14Å; T637-N676 VanDerWaalsContact OG1-ND2 3.11Å
638L92.6Very high93Very high6 Ų656.6 Ų56.63%0.03132%0.321CS..Hα-helixtrans-46.3-53.8-174176.166.8000113.1A625 L632 P635 A640 E641 L642 N676 L680A625-L638 HydrophobicContact CB-CD2 4.32Å; L632-L638 HydrophobicContact CD1-CB 4.24Å; L632-L638 HydrophobicContact CD1-CD1 3.98Å; L632-L638 HydrophobicContact CD1-CD2 3.72Å; L632-L638 HydrophobicContact CD1-CG 4.18Å; P635-L638 WeakPolarHBondContact O-CB 3.35Å; L638-A640 VanDerWaalsContact C-N 3.34Å; L638-A640 PolarHBondContact O-N 2.8Å; L638-E641 PolarHBondContact O-N 3.16Å; L638-L642 HydrophobicContact CD1-CD1 3.74Å; L638-L642 HydrophobicContact CD1-CD2 4.36Å; L638-L642 HydrophobicContact CD1-CG 3.84Å; L638-L642 HydrophobicContact CD2-CD1 4.39Å; L638-L642 HydrophobicContact CG-CD1 3.73Å; L638-L642 HydrophobicContact CG-CG 4.22Å; L638-L642 WeakPolarHBondContact O-CB 3.17Å; L638-L642 VanDerWaalsContact O-CG 3.23Å; L638-L642 WeakPolarHBondContact O-CG 3.06Å; L638-L642 PolarHBondContact O-N 3.12Å; L638-N676 HydrophobicContact CD1-CB 3.95Å; L638-L680 HydrophobicContact CD1-CD1 3.76Å
639S91.4Very high93.1Very high98 Ų9857.1 Ų57.169%0.68532%0.323SS*.Hα-helixtrans-62.3-38.3-175.7-176.20000113T637 H643T637-S639 PolarHBondContact O-N 2.89Å; S639-H643 PolarHBondContact O-N 3.44Å; S639-H643 VanDerWaalsContact O-N 3.15Å
640A92.6Very high93.2Very high66 Ų6658 Ų5855%0.54533%0.329SS..Hα-helixtrans-71.6-39.6176.200000111.7T637 L638 H643 C644T637-A640 PolarHBondContact O-N 2.9Å; T637-A640 VanDerWaalsContact O-N 3.1Å; L638-A640 VanDerWaalsContact C-N 3.34Å; L638-A640 PolarHBondContact O-N 2.8Å; A640-H643 WeakPolarHBondContact O-CB 3.18Å; A640-H643 PolarHBondContact O-N 3.02Å; A640-C644 PolarHBondContact O-N 3.14Å; A640-C644 PolarHBondContact O-SG 3.38Å; A640-C644 VanDerWaalsContact O-SG 3.39Å
641E94.6Very high93.2Very high18 Ų1860 Ų608%0.08433%0.328CS..Hα-helixtrans-66.2-44.4178.3-170.9-176.9133.100112.1T637 L638 H643 C644 W645 F674 P675 N676 V677T637-E641 PolarHBondContact O-N 2.98Å; L638-E641 PolarHBondContact O-N 3.16Å; E641-H643 VanDerWaalsContact C-N 3.32Å; E641-H643 PolarHBondContact O-N 2.99Å; E641-C644 PolarHBondContact O-N 3.11Å; E641-W645 WeakPolarHBondContact O-CB 3.47Å; E641-W645 PolarHBondContact O-N 3.48Å; E641-F674 HydrophobicContact CG-CB 4.18Å; E641-F674 HydrophobicContact CG-CD1 3.86Å; E641-F674 HydrophobicContact CG-CG 4.5Å; E641-F674 WeakPolarHBondContact OE1-CA 3.39Å; E641-P675 VanDerWaalsContact OE1-N 3.17Å; E641-N676 WeakPolarHBondContact OE1-CA 3.38Å; E641-N676 WeakPolarHBondContact OE1-CB 3.41Å; E641-N676 PolarHBondContact OE1-N 3.33Å; E641-N676 WeakPolarHBondContact OE2-CB 3.43Å; E641-N676 PolarHBondContact OE2-N 3.33Å; E641-N676 PolarHBondContact OE2-ND2 3.27Å; E641-V677 HydrophobicContact CG-CG2 4.33Å; E641-V677 PolarHBondContact OE1-N 2.99Å
642L92.8Very high93.1Very high9 Ų963.3 Ų63.35%0.04734%0.339CS..Hα-helixtrans-58.3-43172.7-73174.6000111.8L607 E622 L638 W645 R646 V677L607-L642 HydrophobicContact CD2-CD2 3.26Å; E622-L642 HydrophobicContact CB-CD1 4.26Å; E622-L642 HydrophobicContact CG-CD2 4.47Å; L638-L642 HydrophobicContact CD1-CD1 3.74Å; L638-L642 HydrophobicContact CD1-CD2 4.36Å; L638-L642 HydrophobicContact CD1-CG 3.84Å; L638-L642 HydrophobicContact CD2-CD1 4.39Å; L638-L642 HydrophobicContact CG-CD1 3.73Å; L638-L642 HydrophobicContact CG-CG 4.22Å; L638-L642 WeakPolarHBondContact O-CB 3.17Å; L638-L642 VanDerWaalsContact O-CG 3.23Å; L638-L642 WeakPolarHBondContact O-CG 3.06Å; L638-L642 PolarHBondContact O-N 3.12Å; L642-W645 PolarHBondContact O-N 3.36Å; L642-R646 VanDerWaalsContact O-CB 3.31Å; L642-R646 WeakPolarHBondContact O-CB 3.38Å; L642-R646 PolarHBondContact O-N 3.49Å; L642-V677 HydrophobicContact CD2-CG2 4.1Å
643H92.1Very high92.8Very high111 Ų11164.4 Ų64.451%0.51435%0.353SS..Hα-helixtrans-60.2-47.5173.6-176.285.3000111.7S639 A640 E641 W645 R646 I647S639-H643 PolarHBondContact O-N 3.44Å; S639-H643 VanDerWaalsContact O-N 3.15Å; A640-H643 WeakPolarHBondContact O-CB 3.18Å; A640-H643 PolarHBondContact O-N 3.02Å; E641-H643 VanDerWaalsContact C-N 3.32Å; E641-H643 PolarHBondContact O-N 2.99Å; H643-W645 PolarHBondContact O-N 3.43Å; H643-R646 PolarHBondContact O-N 3.38Å; H643-I647 WeakPolarHBondContact O-CB 3.4Å; H643-I647 VanDerWaalsContact O-CG1 3.27Å; H643-I647 WeakPolarHBondContact O-CG1 3.31Å; H643-I647 PolarHBondContact O-N 3.46Å
644C93.7Very high92.3Very high70 Ų7070.4 Ų70.447%0.47337%0.372SS..Hα-helixtrans-62-41176.8-71.70000112.7A640 E641 I647 K648 F674A640-C644 PolarHBondContact O-N 3.14Å; A640-C644 PolarHBondContact O-SG 3.38Å; A640-C644 VanDerWaalsContact O-SG 3.39Å; E641-C644 PolarHBondContact O-N 3.11Å; C644-I647 PolarHBondContact O-N 2.84Å; C644-K648 WeakPolarHBondContact O-CB 3.41Å; C644-K648 PolarHBondContact O-N 3.25Å; C644-F674 HydrophobicContact CB-CE1 3.96Å
645W94Very high91.9Very high0 Ų074.1 Ų74.10%039%0.391CS..Hα-helixtrans-61.2-48.3175.7-179.2-116.7000111.5L607 P609 E641 L642 H643 I647 K648 W649 L668 I671 F674 V677L607-W645 PolarHBondContact O-NE1 3.45Å; P609-W645 HydrophobicContact CG-CZ2 4.04Å; E641-W645 WeakPolarHBondContact O-CB 3.47Å; E641-W645 PolarHBondContact O-N 3.48Å; L642-W645 PolarHBondContact O-N 3.36Å; H643-W645 PolarHBondContact O-N 3.43Å; W645-I647 PolarHBondContact O-N 3.21Å; W645-K648 HydrophobicContact CE3-CD 4.09Å; W645-K648 HydrophobicContact CZ3-CD 4.14Å; W645-K648 WeakPolarHBondContact O-CB 3.26Å; W645-K648 PolarHBondContact O-N 3.18Å; W645-W649 AromaticContact CD2-CD1 3.81Å; W645-W649 AromaticContact CD2-NE1 3.57Å; W645-W649 AromaticContact CE2-CD1 3.7Å; W645-W649 AromaticContact CE2-NE1 3.36Å; W645-W649 AromaticContact CE3-NE1 3.58Å; W645-W649 AromaticContact CH2-CE2 3.99Å; W645-W649 HydrophobicContact CH2-CZ2 4.11Å; W645-W649 AromaticContact CH2-NE1 3.27Å; W645-W649 VanDerWaalsContact CH2-NE1 3.27Å; W645-W649 AromaticContact CZ2-CD1 3.99Å; W645-W649 AromaticContact CZ2-NE1 3.22Å; W645-W649 HydrophobicContact CZ3-CZ2 4.46Å; W645-W649 AromaticContact CZ3-NE1 3.44Å; W645-W649 PolarHBondContact O-N 2.89Å; W645-L668 HydrophobicContact CH2-CD1 3.6Å; W645-L668 HydrophobicContact CZ2-CD1 4.47Å; W645-L668 HydrophobicContact CZ3-CD1 4.41Å; W645-I671 HydrophobicContact CH2-CD1 3.66Å; W645-I671 HydrophobicContact CZ2-CD1 4.34Å; W645-I671 HydrophobicContact CZ3-CD1 3.98Å; W645-F674 HydrophobicContact CB-CD1 3.93Å; W645-F674 HydrophobicContact CB-CE1 4.04Å; W645-F674 HydrophobicContact CE3-CB 4.4Å; W645-F674 AromaticContact CE3-CD1 3.95Å; W645-F674 HydrophobicContact CE3-CD1 3.95Å; W645-F674 AromaticContact CE3-CD2 3.7Å; W645-F674 HydrophobicContact CE3-CD2 3.7Å; W645-F674 HydrophobicContact CE3-CE1 4.13Å; W645-F674 AromaticContact CE3-CE2 3.9Å; W645-F674 HydrophobicContact CE3-CE2 3.9Å; W645-F674 AromaticContact CE3-CG 3.74Å; W645-F674 HydrophobicContact CE3-CG 3.74Å; W645-F674 HydrophobicContact CE3-CZ 4.12Å; W645-F674 AromaticContact CZ3-CD2 3.87Å; W645-F674 HydrophobicContact CZ3-CD2 3.87Å; W645-F674 HydrophobicContact CZ3-CE2 4.16Å; W645-F674 HydrophobicContact CZ3-CG 4.27Å; W645-V677 HydrophobicContact CB-CG2 4.23Å; W645-V677 HydrophobicContact CD2-CG1 4.1Å; W645-V677 HydrophobicContact CG-CG1 4.28Å; W645-V677 HydrophobicContact CG-CG2 4.18Å; W645-V677 HydrophobicContact CZ2-CG1 4.24Å
646R92.6Very high91.7Very high57 Ų5776.4 Ų76.422%0.21540%0.401CS..Hα-helixtrans-60.5-42.6176.3-164.1-162.1-59.4-149.63.8112M612 F617 T619 E622 L642 H643 K650M612-R646 HydrophobicContact CE-CB 4.4Å; M612-R646 HydrophobicContact SD-CB 4.37Å; M612-R646 HydrophobicContact SD-CG 4.2Å; F617-R646 HydrophobicContact CB-CG 4.33Å; F617-R646 HydrophobicContact CD1-CG 4.35Å; F617-R646 PolarHBondContact O-NH1 3.19Å; T619-R646 PolarHBondContact O-NH1 3.21Å; T619-R646 PolarHBondContact O-NH2 3.5Å; T619-R646 PolarHBondContact OG1-NE 2.93Å; T619-R646 PolarHBondContact OG1-NH1 3.42Å; T619-R646 PolarHBondContact OG1-NH2 3.22Å; E622-R646 IonicContact OE1-CZ 3.7Å; E622-R646 IonicContact OE1-NE 2.93Å; E622-R646 PolarHBondContact OE1-NE 3.42Å; E622-R646 VanDerWaalsContact OE1-NE 3.14Å; E622-R646 IonicContact OE1-NH2 3.95Å; E622-R646 PolarHBondContact OE1-NH2 3.44Å; E622-R646 IonicContact OE2-CZ 2.73Å; E622-R646 IonicContact OE2-NE 2.8Å; E622-R646 IonicContact OE2-NH2 3.16Å; E622-R646 PolarHBondContact OE2-NH2 3.14Å; L642-R646 VanDerWaalsContact O-CB 3.31Å; L642-R646 WeakPolarHBondContact O-CB 3.38Å; L642-R646 PolarHBondContact O-N 3.49Å; H643-R646 PolarHBondContact O-N 3.38Å; R646-K650 VanDerWaalsContact O-CB 3.23Å; R646-K650 WeakPolarHBondContact O-CB 3.34Å; R646-K650 PolarHBondContact O-N 3.24Å
647I92.7Very high91.7Very high67 Ų6777.8 Ų77.834%0.34440%0.402SS..Hα-helixtrans-65.8-42.3177.6-71.3-66.7000111.7H643 C644 W645 W649 K650 H651H643-I647 WeakPolarHBondContact O-CB 3.4Å; H643-I647 VanDerWaalsContact O-CG1 3.27Å; H643-I647 WeakPolarHBondContact O-CG1 3.31Å; H643-I647 PolarHBondContact O-N 3.46Å; C644-I647 PolarHBondContact O-N 2.84Å; W645-I647 PolarHBondContact O-N 3.21Å; I647-W649 VanDerWaalsContact C-N 3.33Å; I647-W649 PolarHBondContact O-N 2.82Å; I647-K650 PolarHBondContact O-N 2.7Å; I647-H651 PolarHBondContact O-CD2 3.46Å; I647-H651 PolarHBondContact O-N 2.82Å
648K92.6Very high91.7Very high64 Ų6476.5 Ų76.528%0.27839%0.393SS..Hα-helixtrans-52-49.5175.1178.4-170.3178.768.10111.6C644 W645 R652 D670 F674C644-K648 WeakPolarHBondContact O-CB 3.41Å; C644-K648 PolarHBondContact O-N 3.25Å; W645-K648 HydrophobicContact CE3-CD 4.09Å; W645-K648 HydrophobicContact CZ3-CD 4.14Å; W645-K648 WeakPolarHBondContact O-CB 3.26Å; W645-K648 PolarHBondContact O-N 3.18Å; K648-R652 PolarHBondContact O-N 2.86Å; K648-D670 IonicContact NZ-OD2 2.66Å; K648-D670 PolarHBondContact NZ-OD2 3.38Å; K648-F674 HydrophobicContact CD-CE2 3.94Å; K648-F674 HydrophobicContact CD-CZ 3.93Å
649W93.7Very high91.8Very high12 Ų1276.9 Ų76.95%0.04540%0.395CS..Hα-helixtrans-79.4-28.7-176.6-67.5113000114.5P609 F617 W645 I647 R652 I656 L658 P659 L668P609-W649 HydrophobicContact CB-CB 4.45Å; P609-W649 HydrophobicContact CB-CD2 3.74Å; P609-W649 HydrophobicContact CB-CE3 4.07Å; P609-W649 HydrophobicContact CB-CG 3.87Å; P609-W649 HydrophobicContact CG-CD2 3.76Å; P609-W649 HydrophobicContact CG-CE3 4.4Å; P609-W649 HydrophobicContact CG-CG 3.97Å; P609-W649 HydrophobicContact CG-CZ2 4.06Å; F617-W649 HydrophobicContact CE1-CB 3.8Å; F617-W649 HydrophobicContact CZ-CB 4.46Å; F617-W649 WeakPolarHBondContact CZ-O 3.14Å; W645-W649 AromaticContact CD2-CD1 3.81Å; W645-W649 AromaticContact CD2-NE1 3.57Å; W645-W649 AromaticContact CE2-CD1 3.7Å; W645-W649 AromaticContact CE2-NE1 3.36Å; W645-W649 AromaticContact CE3-NE1 3.58Å; W645-W649 AromaticContact CH2-CE2 3.99Å; W645-W649 HydrophobicContact CH2-CZ2 4.11Å; W645-W649 AromaticContact CH2-NE1 3.27Å; W645-W649 VanDerWaalsContact CH2-NE1 3.27Å; W645-W649 AromaticContact CZ2-CD1 3.99Å; W645-W649 AromaticContact CZ2-NE1 3.22Å; W645-W649 HydrophobicContact CZ3-CZ2 4.46Å; W645-W649 AromaticContact CZ3-NE1 3.44Å; W645-W649 PolarHBondContact O-N 2.89Å; I647-W649 VanDerWaalsContact C-N 3.33Å; I647-W649 PolarHBondContact O-N 2.82Å; W649-R652 WeakPolarHBondContact O-CD 3.31Å; W649-R652 WeakPolarHBondContact O-CG 3.42Å; W649-R652 PolarHBondContact O-NH1 3.08Å; W649-R652 VanDerWaalsContact O-NH1 3.11Å; W649-I656 HydrophobicContact CZ3-CG2 4.22Å; W649-L658 HydrophobicContact CB-CD2 4.27Å; W649-L658 HydrophobicContact CD2-CD2 4.39Å; W649-L658 HydrophobicContact CE3-CD2 3.76Å; W649-P659 HydrophobicContact CH2-CG 3.84Å; W649-P659 HydrophobicContact CZ2-CG 4.26Å; W649-P659 HydrophobicContact CZ3-CG 4.33Å; W649-L668 HydrophobicContact CH2-CD1 4.13Å; W649-L668 HydrophobicContact CH2-CD2 4.01Å; W649-L668 HydrophobicContact CZ2-CD1 3.52Å; W649-L668 HydrophobicContact CZ2-CD2 4.22Å
650K92.6Very high91.9Very high110 Ų11073.6 Ų73.648%0.47837%0.373SS..Hα-helixtrans-68.5-34.5173.2-175.8178.6179.6-179.90112.8F617 R646 I647F617-K650 HydrophobicContact CB-CB 4.47Å; F617-K650 HydrophobicContact CB-CD 4.22Å; F617-K650 HydrophobicContact CB-CG 4.42Å; F617-K650 HydrophobicContact CD1-CB 3.9Å; F617-K650 HydrophobicContact CD2-CB 4.04Å; F617-K650 HydrophobicContact CD2-CG 3.95Å; F617-K650 HydrophobicContact CE1-CB 4.17Å; F617-K650 HydrophobicContact CE2-CB 4.3Å; F617-K650 HydrophobicContact CE2-CG 4.44Å; F617-K650 HydrophobicContact CG-CB 3.85Å; F617-K650 HydrophobicContact CG-CD 4.39Å; F617-K650 HydrophobicContact CG-CG 4.05Å; F617-K650 HydrophobicContact CZ-CB 4.37Å; R646-K650 VanDerWaalsContact O-CB 3.23Å; R646-K650 WeakPolarHBondContact O-CB 3.34Å; R646-K650 PolarHBondContact O-N 3.24Å; I647-K650 PolarHBondContact O-N 2.7Å
651H92Very high91.9Very high135 Ų13570.8 Ų70.863%0.62535%0.349SS*.THydrogen-bonded Turntrans-11017.7-176-67.2-86.2000114.2I647I647-H651 PolarHBondContact O-CD2 3.46Å; I647-H651 PolarHBondContact O-N 2.82Å
652R91.4Very high91.9Very high85 Ų8570.2 Ų70.232%0.32135%0.346SS..  trans-60.1158.517473.5-175.2-163.8-73.5-3.1112.6K648 W649 I656 L658K648-R652 PolarHBondContact O-N 2.86Å; W649-R652 WeakPolarHBondContact O-CD 3.31Å; W649-R652 WeakPolarHBondContact O-CG 3.42Å; W649-R652 PolarHBondContact O-NH1 3.08Å; W649-R652 VanDerWaalsContact O-NH1 3.11Å; R652-I656 HydrophobicContact CB-CB 4.43Å; R652-I656 WeakPolarHBondContact CD-O 3.29Å; R652-I656 HydrophobicContact CG-CB 4.5Å; R652-I656 PolarHBondContact NE-O 3.06Å; R652-L658 VanDerWaalsContact CZ-CG 3.49Å
653G87.3Confident91.9Very high35 Ų3573.5 Ų73.536%0.36136%0.358SS..  trans-60.4148169.600000111.8D655 I656G653-D655 PolarHBondContact O-N 3.4Å; G653-I656 WeakPolarHBondContact O-CB 3.47Å; G653-I656 PolarHBondContact O-N 2.71Å; G653-I656 VanDerWaalsContact O-N 3.08Å
654K84.5Confident92Very high205 Ų20571.9 Ų71.989%0.89135%0.351SS*.THydrogen-bonded Turntrans-61.6-30.5-176.4-70.4-174.6178.1-1790113I656K654-I656 PolarHBondContact O-N 2.93Å
655D87.3Confident92Very high159 Ų15968.6 Ų68.685%0.8533%0.329SS*.THydrogen-bonded Turntrans-84.33.3-177.7-35.8-85000112.4G653G653-D655 PolarHBondContact O-N 3.4Å
656I88.9Confident92Very high88 Ų8868.6 Ų68.645%0.45133%0.329SS..  trans-99111.3175.9-55-179.2000108.6W649 R652 G653 K654W649-I656 HydrophobicContact CZ3-CG2 4.22Å; R652-I656 HydrophobicContact CB-CB 4.43Å; R652-I656 WeakPolarHBondContact CD-O 3.29Å; R652-I656 HydrophobicContact CG-CB 4.5Å; R652-I656 PolarHBondContact NE-O 3.06Å; G653-I656 WeakPolarHBondContact O-CB 3.47Å; G653-I656 PolarHBondContact O-N 2.71Å; G653-I656 VanDerWaalsContact O-N 3.08Å; K654-I656 PolarHBondContact O-N 2.93Å
657E92.3Very high92.1Very high174 Ų17469.6 Ų69.681%0.81334%0.336SS*.  trans-65.8157172.1-61.1-168.3147.800111.2
658L93.5Very high92.1Very high38 Ų3868.1 Ų68.120%0.19933%0.328CS..  trans-92.2122.5178.3-72.3166.9000108.9P609 W649 R652 S660P609-L658 HydrophobicContact CB-CB 4.19Å; P609-L658 HydrophobicContact CB-CD2 3.68Å; W649-L658 HydrophobicContact CB-CD2 4.27Å; W649-L658 HydrophobicContact CD2-CD2 4.39Å; W649-L658 HydrophobicContact CE3-CD2 3.76Å; R652-L658 VanDerWaalsContact CZ-CG 3.49Å; L658-S660 PolarHBondContact O-N 3.38Å; L658-S660 VanDerWaalsContact O-N 3.15Å
659P94.9Very high92.1Very high13 Ų1369.8 Ų69.88%0.08435%0.346CS..  trans-45.8122169.5-32.336.4000111.6V608 P609 S610 W649 E664 A665 L668V608-P659 WeakPolarHBondContact CG1-O 3.25Å; P609-P659 HydrophobicContact CB-CB 4.47Å; P609-P659 HydrophobicContact CB-CG 4.5Å; P609-P659 HydrophobicContact CG-CB 4.06Å; P609-P659 HydrophobicContact CG-CG 4.12Å; S610-P659 WeakPolarHBondContact CB-O 3.31Å; S610-P659 PolarHBondContact N-O 2.66Å; S610-P659 PolarHBondContact OG-O 3.35Å; W649-P659 HydrophobicContact CH2-CG 3.84Å; W649-P659 HydrophobicContact CZ2-CG 4.26Å; W649-P659 HydrophobicContact CZ3-CG 4.33Å; P659-E664 HydrophobicContact CB-CB 3.88Å; P659-A665 HydrophobicContact CB-CB 4.37Å; P659-L668 HydrophobicContact CG-CD1 4.19Å; P659-L668 HydrophobicContact CG-CD2 4.04Å; P659-L668 HydrophobicContact CG-CG 4.43Å
660S93.5Very high92Very high29 Ų2972.2 Ų72.220%0.20336%0.36CS..  trans-90.3-28.8-169.572.50000112.9S610 L658 E664S610-S660 PolarHBondContact OG-O 3.33Å; L658-S660 PolarHBondContact O-N 3.38Å; L658-S660 VanDerWaalsContact O-N 3.15Å; S660-E664 WeakPolarHBondContact CB-OE2 3.34Å; S660-E664 PolarHBondContact N-OE2 2.95Å; S660-E664 VanDerWaalsContact OG-CD 3.28Å; S660-E664 PolarHBondContact OG-OE1 2.98Å; S660-E664 PolarHBondContact OG-OE2 2.8Å
661T93.3Very high92Very high8 Ų867.4 Ų67.45%0.04934%0.339CS..SBendtrans-119.9161.2-176.759.80000111.8Y663 E664 A665 E693T661-Y663 PolarHBondContact O-N 2.78Å; T661-E664 PolarHBondContact O-N 2.73Å; T661-E664 WeakPolarHBondContact OG1-CB 3.41Å; T661-E664 WeakPolarHBondContact OG1-CG 3.25Å; T661-E664 PolarHBondContact OG1-N 2.86Å; T661-E664 VanDerWaalsContact OG1-N 3.1Å; T661-E664 PolarHBondContact OG1-OE1 2.81Å; T661-A665 PolarHBondContact O-N 2.88Å; T661-E693 HydrophobicContact CG2-CG 4.42Å; T661-E693 WeakPolarHBondContact CG2-OE1 3.47Å
662I94.3Very high92Very high5 Ų567.8 Ų67.83%0.02634%0.339CS..Hα-helixtrans-60.1-39169.1-58.8177.9000110.6T504 L605 V608 E664 A665 L666 L681 L684 C685 M690T504-I662 HydrophobicContact CG2-CG1 4.38Å; L605-I662 HydrophobicContact CD2-CD1 3.76Å; L605-I662 HydrophobicContact CD2-CG1 4.45Å; V608-I662 HydrophobicContact CG2-CG1 3.88Å; I662-E664 PolarHBondContact O-N 2.99Å; I662-A665 PolarHBondContact O-N 2.91Å; I662-A665 VanDerWaalsContact O-N 3.17Å; I662-L666 HydrophobicContact CG2-CD1 3.9Å; I662-L666 HydrophobicContact CG2-CG 4.14Å; I662-L666 WeakPolarHBondContact O-CG 3.23Å; I662-L666 PolarHBondContact O-N 2.73Å; I662-L681 HydrophobicContact CG1-CD2 4.48Å; I662-L681 HydrophobicContact CG2-CB 4.07Å; I662-L681 HydrophobicContact CG2-CD2 4.16Å; I662-L681 WeakPolarHBondContact CG2-O 3.23Å; I662-L684 HydrophobicContact CD1-CB 3.97Å; I662-C685 HydrophobicContact CG2-CB 3.8Å; I662-M690 HydrophobicContact CD1-CE 3.82Å; I662-M690 HydrophobicContact CD1-CG 4.4Å; I662-M690 HydrophobicContact CD1-SD 4.45Å; I662-M690 HydrophobicContact CG1-CE 4.42Å
663Y92.5Very high92.1Very high78 Ų7870.1 Ų70.131%0.30635%0.352SS..Hα-helixtrans-56.5-50.3177.8173.5-90.3000112T661 A665 L666 H667T661-Y663 PolarHBondContact O-N 2.78Å; Y663-A665 VanDerWaalsContact C-N 3.3Å; Y663-A665 PolarHBondContact O-N 2.67Å; Y663-L666 PolarHBondContact O-N 3.29Å; Y663-H667 AromaticContact CD2-CE1 3.62Å; Y663-H667 AromaticContact CD2-ND1 3.85Å; Y663-H667 AromaticContact CE1-ND1 3.99Å; Y663-H667 AromaticContact CE2-CE1 3.19Å; Y663-H667 WeakPolarHBondContact CE2-CE1 3.43Å; Y663-H667 AromaticContact CE2-ND1 3.75Å; Y663-H667 AromaticContact CE2-NE2 3.91Å; Y663-H667 AromaticContact CZ-CE1 3.46Å; Y663-H667 VanDerWaalsContact CZ-CE1 3.46Å; Y663-H667 AromaticContact CZ-ND1 3.81Å; Y663-H667 AromaticContact CZ-NE2 3.85Å; Y663-H667 PolarHBondContact O-N 3.06Å; Y663-H667 VanDerWaalsContact O-N 3.12Å; Y663-H667 PolarHBondContact O-ND1 3.38Å
664E93.8Very high92.6Very high78 Ų7869.6 Ų69.636%0.36434%0.34SS..Hα-helixtrans-62-37.5176.5-75.4154.6-134.500112.3P659 S660 T661 I662 H667P659-E664 HydrophobicContact CB-CB 3.88Å; S660-E664 WeakPolarHBondContact CB-OE2 3.34Å; S660-E664 PolarHBondContact N-OE2 2.95Å; S660-E664 VanDerWaalsContact OG-CD 3.28Å; S660-E664 PolarHBondContact OG-OE1 2.98Å; S660-E664 PolarHBondContact OG-OE2 2.8Å; T661-E664 PolarHBondContact O-N 2.73Å; T661-E664 WeakPolarHBondContact OG1-CB 3.41Å; T661-E664 WeakPolarHBondContact OG1-CG 3.25Å; T661-E664 PolarHBondContact OG1-N 2.86Å; T661-E664 VanDerWaalsContact OG1-N 3.1Å; T661-E664 PolarHBondContact OG1-OE1 2.81Å; I662-E664 PolarHBondContact O-N 2.99Å; E664-H667 PolarHBondContact O-N 3.47Å
665A94.4Very high93.1Very high0 Ų061.9 Ų61.90%031%0.31CS..Hα-helixtrans-69.4-36.1177.900000112.9P659 T661 I662 Y663 H667 L668 L681P659-A665 HydrophobicContact CB-CB 4.37Å; T661-A665 PolarHBondContact O-N 2.88Å; I662-A665 PolarHBondContact O-N 2.91Å; I662-A665 VanDerWaalsContact O-N 3.17Å; Y663-A665 VanDerWaalsContact C-N 3.3Å; Y663-A665 PolarHBondContact O-N 2.67Å; A665-H667 VanDerWaalsContact C-N 3.32Å; A665-L668 WeakPolarHBondContact O-CD1 3.14Å; A665-L668 WeakPolarHBondContact O-CG 3.38Å; A665-L681 HydrophobicContact CB-CD1 3.8Å
666L94.4Very high93.5Very high1 Ų154.3 Ų54.31%0.00527%0.27CS..Hα-helixtrans-70.4-26.1173.8-71.6173.8000112.8H287 I662 Y663 L668 Y678 L681 K682 C685H287-L666 HydrophobicContact CB-CB 4.21Å; H287-L666 PolarHBondContact CD2-O 2.67Å; H287-L666 VanDerWaalsContact CD2-O 3.28Å; I662-L666 HydrophobicContact CG2-CD1 3.9Å; I662-L666 HydrophobicContact CG2-CG 4.14Å; I662-L666 WeakPolarHBondContact O-CG 3.23Å; I662-L666 PolarHBondContact O-N 2.73Å; Y663-L666 PolarHBondContact O-N 3.29Å; L666-L668 VanDerWaalsContact C-N 3.32Å; L666-L668 PolarHBondContact O-N 3.16Å; L666-Y678 HydrophobicContact CD2-CD2 3.78Å; L666-Y678 HydrophobicContact CD2-CE2 3.99Å; L666-L681 HydrophobicContact CD2-CB 3.69Å; L666-L681 HydrophobicContact CG-CB 4.16Å; L666-K682 HydrophobicContact CD2-CG 4.34Å; L666-C685 HydrophobicContact CD1-CB 4.39Å
667H94.3Very high93.8Very high78 Ų7850.1 Ų50.136%0.36125%0.248SC..THydrogen-bonded Turntrans-84.52.7179.1-78.677000114.9S286 Y663 E664 A665S286-H667 PolarHBondContact O-NE2 2.85Å; Y663-H667 AromaticContact CD2-CE1 3.62Å; Y663-H667 AromaticContact CD2-ND1 3.85Å; Y663-H667 AromaticContact CE1-ND1 3.99Å; Y663-H667 AromaticContact CE2-CE1 3.19Å; Y663-H667 WeakPolarHBondContact CE2-CE1 3.43Å; Y663-H667 AromaticContact CE2-ND1 3.75Å; Y663-H667 AromaticContact CE2-NE2 3.91Å; Y663-H667 AromaticContact CZ-CE1 3.46Å; Y663-H667 VanDerWaalsContact CZ-CE1 3.46Å; Y663-H667 AromaticContact CZ-ND1 3.81Å; Y663-H667 AromaticContact CZ-NE2 3.85Å; Y663-H667 PolarHBondContact O-N 3.06Å; Y663-H667 VanDerWaalsContact O-N 3.12Å; Y663-H667 PolarHBondContact O-ND1 3.38Å; E664-H667 PolarHBondContact O-N 3.47Å; A665-H667 VanDerWaalsContact C-N 3.32Å
668L93.5Very high93.9Very high35 Ų3544.8 Ų44.818%0.18322%0.221CC..  trans-70.8129.7179.8-69.6165.7000111.8W645 W649 P659 A665 L666 D670 I671W645-L668 HydrophobicContact CH2-CD1 3.6Å; W645-L668 HydrophobicContact CZ2-CD1 4.47Å; W645-L668 HydrophobicContact CZ3-CD1 4.41Å; W649-L668 HydrophobicContact CH2-CD1 4.13Å; W649-L668 HydrophobicContact CH2-CD2 4.01Å; W649-L668 HydrophobicContact CZ2-CD1 3.52Å; W649-L668 HydrophobicContact CZ2-CD2 4.22Å; P659-L668 HydrophobicContact CG-CD1 4.19Å; P659-L668 HydrophobicContact CG-CD2 4.04Å; P659-L668 HydrophobicContact CG-CG 4.43Å; A665-L668 WeakPolarHBondContact O-CD1 3.14Å; A665-L668 WeakPolarHBondContact O-CG 3.38Å; L666-L668 VanDerWaalsContact C-N 3.32Å; L666-L668 PolarHBondContact O-N 3.16Å; L668-D670 PolarHBondContact O-N 2.92Å; L668-I671 HydrophobicContact CB-CB 4.29Å; L668-I671 VanDerWaalsContact O-CG2 3.31Å; L668-I671 WeakPolarHBondContact O-CG2 3.38Å; L668-I671 PolarHBondContact O-N 3.39Å
669P91Very high94Very high99 Ų9943.4 Ų43.464%0.64322%0.215SC*.THydrogen-bonded Turntrans-56.2-21.2177.4-27.835.5000115.4K672P669-K672 WeakPolarHBondContact O-CE 3.22Å; P669-K672 PolarHBondContact O-NZ 3.42Å
670D91.3Very high94Very high64 Ų6442.8 Ų42.834%0.34221%0.211SC..THydrogen-bonded Turntrans-94.2-8.6-179.2-66.7-25.9000114.3K648 L668 K672 F673 F674K648-D670 IonicContact NZ-OD2 2.66Å; K648-D670 PolarHBondContact NZ-OD2 3.38Å; L668-D670 PolarHBondContact O-N 2.92Å; D670-K672 PolarHBondContact O-N 2.99Å; D670-K672 VanDerWaalsContact O-N 3.17Å; D670-F673 HydrophobicContact CB-CD2 3.98Å; D670-F673 HydrophobicContact CB-CE2 4.42Å; D670-F673 WeakPolarHBondContact O-CB 3.29Å; D670-F673 WeakPolarHBondContact O-CD2 3.5Å; D670-F673 PolarHBondContact O-N 2.8Å; D670-F674 WeakPolarHBondContact O-CD2 3.44Å
671I93.8Very high94.1Very high8 Ų841.4 Ų41.44%0.04120%0.201CC..G310 helixtrans-60.8-31.6-172.5-162.959.6000112.2W645 L668 F673 F674 V677 Y678 L681W645-I671 HydrophobicContact CH2-CD1 3.66Å; W645-I671 HydrophobicContact CZ2-CD1 4.34Å; W645-I671 HydrophobicContact CZ3-CD1 3.98Å; L668-I671 HydrophobicContact CB-CB 4.29Å; L668-I671 VanDerWaalsContact O-CG2 3.31Å; L668-I671 WeakPolarHBondContact O-CG2 3.38Å; L668-I671 PolarHBondContact O-N 3.39Å; I671-F673 PolarHBondContact O-N 3.38Å; I671-F673 VanDerWaalsContact O-N 3.1Å; I671-F674 CarbonylContact O-C 3.47Å; I671-F674 WeakPolarHBondContact O-CA 3.39Å; I671-F674 PolarHBondContact O-N 3Å; I671-V677 HydrophobicContact CD1-CG1 4.36Å; I671-Y678 HydrophobicContact CG1-CD2 3.96Å; I671-Y678 HydrophobicContact CG1-CG 4.5Å; I671-Y678 HydrophobicContact CG2-CD2 4.07Å; I671-L681 HydrophobicContact CD1-CD1 4.14Å
672K91.7Very high94.2Very high144 Ų14442.2 Ų42.263%0.62620%0.204SC*.G310 helixtrans-58.3-17.8173.370.7-163.9179.1-1460115.1P669 D670 F674P669-K672 WeakPolarHBondContact O-CE 3.22Å; P669-K672 PolarHBondContact O-NZ 3.42Å; D670-K672 PolarHBondContact O-N 2.99Å; D670-K672 VanDerWaalsContact O-N 3.17Å; K672-F674 VanDerWaalsContact C-N 3.32Å
673F94.3Very high94.2Very high134 Ų13442 Ų4259%0.58820%0.203SC*.G310 helixtrans-86.9-4.7173.9-54.3-56.8000112.8D670 I671D670-F673 HydrophobicContact CB-CD2 3.98Å; D670-F673 HydrophobicContact CB-CE2 4.42Å; D670-F673 WeakPolarHBondContact O-CB 3.29Å; D670-F673 WeakPolarHBondContact O-CD2 3.5Å; D670-F673 PolarHBondContact O-N 2.8Å; I671-F673 PolarHBondContact O-N 3.38Å; I671-F673 VanDerWaalsContact O-N 3.1Å
674F96.1Very high94.3Very high24 Ų2438.4 Ų38.411%0.10519%0.189CC..  trans-125.970.4177.5-55.9-92000108.9E641 C644 W645 K648 D670 I671 K672 N676 V677 Y678E641-F674 HydrophobicContact CG-CB 4.18Å; E641-F674 HydrophobicContact CG-CD1 3.86Å; E641-F674 HydrophobicContact CG-CG 4.5Å; E641-F674 WeakPolarHBondContact OE1-CA 3.39Å; C644-F674 HydrophobicContact CB-CE1 3.96Å; W645-F674 HydrophobicContact CB-CD1 3.93Å; W645-F674 HydrophobicContact CB-CE1 4.04Å; W645-F674 HydrophobicContact CE3-CB 4.4Å; W645-F674 AromaticContact CE3-CD1 3.95Å; W645-F674 HydrophobicContact CE3-CD1 3.95Å; W645-F674 AromaticContact CE3-CD2 3.7Å; W645-F674 HydrophobicContact CE3-CD2 3.7Å; W645-F674 HydrophobicContact CE3-CE1 4.13Å; W645-F674 AromaticContact CE3-CE2 3.9Å; W645-F674 HydrophobicContact CE3-CE2 3.9Å; W645-F674 AromaticContact CE3-CG 3.74Å; W645-F674 HydrophobicContact CE3-CG 3.74Å; W645-F674 HydrophobicContact CE3-CZ 4.12Å; W645-F674 AromaticContact CZ3-CD2 3.87Å; W645-F674 HydrophobicContact CZ3-CD2 3.87Å; W645-F674 HydrophobicContact CZ3-CE2 4.16Å; W645-F674 HydrophobicContact CZ3-CG 4.27Å; K648-F674 HydrophobicContact CD-CE2 3.94Å; K648-F674 HydrophobicContact CD-CZ 3.93Å; D670-F674 WeakPolarHBondContact O-CD2 3.44Å; I671-F674 CarbonylContact O-C 3.47Å; I671-F674 WeakPolarHBondContact O-CA 3.39Å; I671-F674 PolarHBondContact O-N 3Å; K672-F674 VanDerWaalsContact C-N 3.32Å; F674-N676 VanDerWaalsContact C-N 3.34Å; F674-N676 PolarHBondContact O-N 2.94Å; F674-V677 HydrophobicContact CB-CB 3.88Å; F674-V677 HydrophobicContact CB-CG2 4.07Å; F674-V677 PolarHBondContact O-N 2.96Å; F674-Y678 WeakPolarHBondContact O-CB 3.3Å; F674-Y678 PolarHBondContact O-N 3.08Å
675P95.8Very high94.4Very high42 Ų4235 Ų3527%0.27317%0.174SC..Hα-helixtrans-65.8-29.8-170.427.3-36.3000114.3P633 E641 A679P633-P675 HydrophobicContact CG-CB 4.49Å; E641-P675 VanDerWaalsContact OE1-N 3.17Å; P675-A679 WeakPolarHBondContact O-CB 3.45Å; P675-A679 PolarHBondContact O-N 2.75Å; P675-A679 VanDerWaalsContact O-N 3.11Å
676N95.7Very high94.4Very high0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-77.4-39.5175-61.4-52.6000111L632 N634 T637 L638 E641 F674 Y678 A679 L680L632-N676 WeakPolarHBondContact CB-OD1 3.32Å; L632-N676 HydrophobicContact CD2-CB 4.32Å; N634-N676 PolarHBondContact N-OD1 3.35Å; N634-N676 PolarHBondContact O-ND2 2.86Å; N634-N676 PolarHBondContact O-OD1 3.18Å; T637-N676 PolarHBondContact OG1-ND2 3.14Å; T637-N676 VanDerWaalsContact OG1-ND2 3.11Å; L638-N676 HydrophobicContact CD1-CB 3.95Å; E641-N676 WeakPolarHBondContact OE1-CA 3.38Å; E641-N676 WeakPolarHBondContact OE1-CB 3.41Å; E641-N676 PolarHBondContact OE1-N 3.33Å; E641-N676 WeakPolarHBondContact OE2-CB 3.43Å; E641-N676 PolarHBondContact OE2-N 3.33Å; E641-N676 PolarHBondContact OE2-ND2 3.27Å; F674-N676 VanDerWaalsContact C-N 3.34Å; F674-N676 PolarHBondContact O-N 2.94Å; N676-Y678 VanDerWaalsContact C-N 3.33Å; N676-A679 PolarHBondContact O-N 3.5Å; N676-L680 WeakPolarHBondContact O-CB 3.22Å; N676-L680 VanDerWaalsContact O-CG 3.31Å; N676-L680 WeakPolarHBondContact O-CG 3.4Å; N676-L680 PolarHBondContact O-N 2.91Å
677V95.2Very high94.5Very high0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-63.3-41.3173.4-1790000110.6E641 L642 W645 I671 F674 L680 L681E641-V677 HydrophobicContact CG-CG2 4.33Å; E641-V677 PolarHBondContact OE1-N 2.99Å; L642-V677 HydrophobicContact CD2-CG2 4.1Å; W645-V677 HydrophobicContact CB-CG2 4.23Å; W645-V677 HydrophobicContact CD2-CG1 4.1Å; W645-V677 HydrophobicContact CG-CG1 4.28Å; W645-V677 HydrophobicContact CG-CG2 4.18Å; W645-V677 HydrophobicContact CZ2-CG1 4.24Å; I671-V677 HydrophobicContact CD1-CG1 4.36Å; F674-V677 HydrophobicContact CB-CB 3.88Å; F674-V677 HydrophobicContact CB-CG2 4.07Å; F674-V677 PolarHBondContact O-N 2.96Å; V677-L680 PolarHBondContact O-N 3.45Å; V677-L681 HydrophobicContact CG1-CD1 3.95Å; V677-L681 HydrophobicContact CG1-CG 4.28Å; V677-L681 WeakPolarHBondContact O-CB 3.32Å; V677-L681 VanDerWaalsContact O-CG 3.28Å; V677-L681 WeakPolarHBondContact O-CG 3.35Å; V677-L681 PolarHBondContact O-N 3.48Å
678Y95.2Very high94.5Very high63 Ų6331.4 Ų31.425%0.24716%0.157CC..Hα-helixtrans-57.6-48.7172.8175.3-107.6000112.1H287 L666 I671 F674 N676 L681 K682H287-Y678 AromaticContact CE1-CE2 3.99Å; H287-Y678 PolarHBondContact CE1-OH 3.13Å; H287-Y678 VanDerWaalsContact CE1-OH 3.24Å; L666-Y678 HydrophobicContact CD2-CD2 3.78Å; L666-Y678 HydrophobicContact CD2-CE2 3.99Å; I671-Y678 HydrophobicContact CG1-CD2 3.96Å; I671-Y678 HydrophobicContact CG1-CG 4.5Å; I671-Y678 HydrophobicContact CG2-CD2 4.07Å; F674-Y678 WeakPolarHBondContact O-CB 3.3Å; F674-Y678 PolarHBondContact O-N 3.08Å; N676-Y678 VanDerWaalsContact C-N 3.33Å; Y678-L681 PolarHBondContact O-N 2.95Å; Y678-K682 HydrophobicContact CE1-CD 4.12Å; Y678-K682 HydrophobicContact CE2-CG 4.44Å; Y678-K682 PolarHBondContact O-N 2.94Å
679A95Very high94.5Very high8 Ų829.7 Ų29.77%0.06615%0.149CC..Hα-helixtrans-61.9-46177.800000112.3L632 P633 P675 N676 L681 K682 V683L632-A679 HydrophobicContact CD2-CB 4.43Å; P633-A679 HydrophobicContact CG-CB 4.28Å; P675-A679 WeakPolarHBondContact O-CB 3.45Å; P675-A679 PolarHBondContact O-N 2.75Å; P675-A679 VanDerWaalsContact O-N 3.11Å; N676-A679 PolarHBondContact O-N 3.5Å; A679-L681 PolarHBondContact O-N 3.46Å; A679-K682 PolarHBondContact O-N 2.89Å; A679-V683 WeakPolarHBondContact O-CG2 3.44Å; A679-V683 PolarHBondContact O-N 2.92Å
680L95.3Very high94.6Very high1 Ų125.5 Ų25.51%0.00512%0.12CC..Hα-helixtrans-59.4-46.1175.3-73.3163.1000111.7L607 A625 Y628 L632 L638 N676 V677 K682 V683 L684L607-L680 HydrophobicContact CD1-CB 3.83Å; L607-L680 HydrophobicContact CD1-CD1 3.92Å; L607-L680 HydrophobicContact CD1-CG 4.39Å; A625-L680 HydrophobicContact CB-CD1 3.81Å; A625-L680 HydrophobicContact CB-CD2 3.94Å; Y628-L680 HydrophobicContact CD2-CD2 3.94Å; Y628-L680 HydrophobicContact CG-CD2 4.36Å; L632-L680 HydrophobicContact CD2-CD1 4.17Å; L632-L680 HydrophobicContact CD2-CD2 3.95Å; L632-L680 HydrophobicContact CD2-CG 3.68Å; L638-L680 HydrophobicContact CD1-CD1 3.76Å; N676-L680 WeakPolarHBondContact O-CB 3.22Å; N676-L680 VanDerWaalsContact O-CG 3.31Å; N676-L680 WeakPolarHBondContact O-CG 3.4Å; N676-L680 PolarHBondContact O-N 2.91Å; V677-L680 PolarHBondContact O-N 3.45Å; L680-K682 PolarHBondContact O-N 3.26Å; L680-V683 PolarHBondContact O-N 3.05Å; L680-L684 WeakPolarHBondContact O-CB 3.36Å; L680-L684 WeakPolarHBondContact O-CG 3.29Å; L680-L684 PolarHBondContact O-N 2.83Å
681L95.3Very high94.5Very high0 Ų026.9 Ų26.90%012%0.124CC..Hα-helixtrans-64.7-37.6177.8-71.1176.1000111.9L607 V608 I662 A665 L666 I671 V677 Y678 A679 C685L607-L681 HydrophobicContact CB-CD2 4.31Å; V608-L681 HydrophobicContact CG2-CD2 3.94Å; I662-L681 HydrophobicContact CG1-CD2 4.48Å; I662-L681 HydrophobicContact CG2-CB 4.07Å; I662-L681 HydrophobicContact CG2-CD2 4.16Å; I662-L681 WeakPolarHBondContact CG2-O 3.23Å; A665-L681 HydrophobicContact CB-CD1 3.8Å; L666-L681 HydrophobicContact CD2-CB 3.69Å; L666-L681 HydrophobicContact CG-CB 4.16Å; I671-L681 HydrophobicContact CD1-CD1 4.14Å; V677-L681 HydrophobicContact CG1-CD1 3.95Å; V677-L681 HydrophobicContact CG1-CG 4.28Å; V677-L681 WeakPolarHBondContact O-CB 3.32Å; V677-L681 VanDerWaalsContact O-CG 3.28Å; V677-L681 WeakPolarHBondContact O-CG 3.35Å; V677-L681 PolarHBondContact O-N 3.48Å; Y678-L681 PolarHBondContact O-N 2.95Å; A679-L681 PolarHBondContact O-N 3.46Å; L681-C685 VanDerWaalsContact O-CB 3.24Å; L681-C685 WeakPolarHBondContact O-CB 3.46Å; L681-C685 PolarHBondContact O-N 3.27Å
682K94.8Very high94.1Very high25 Ų2527 Ų2711%0.10912%0.124CC..Hα-helixtrans-58.7-51.2170.2-81.3-157.774-175.90111.7S257 L666 Y678 A679 L680 L684 C685 I686S257-K682 PolarHBondContact O-NZ 3.34Å; S257-K682 PolarHBondContact OG-NZ 3.36Å; S257-K682 VanDerWaalsContact OG-NZ 3.09Å; L666-K682 HydrophobicContact CD2-CG 4.34Å; Y678-K682 HydrophobicContact CE1-CD 4.12Å; Y678-K682 HydrophobicContact CE2-CG 4.44Å; Y678-K682 PolarHBondContact O-N 2.94Å; A679-K682 PolarHBondContact O-N 2.89Å; L680-K682 PolarHBondContact O-N 3.26Å; K682-L684 VanDerWaalsContact C-N 3.34Å; K682-L684 PolarHBondContact O-N 2.93Å; K682-C685 WeakPolarHBondContact O-CB 3.21Å; K682-C685 PolarHBondContact O-N 2.95Å; K682-I686 PolarHBondContact O-N 3.46Å
683V95.3Very high93.2Very high1 Ų123.3 Ų23.31%0.00611%0.109CC..Hα-helixtrans-62.9-37.7-177.91690000112.1F259 R326 Y628 A679 L680 I686F259-V683 HydrophobicContact CD1-CG2 4.49Å; F259-V683 HydrophobicContact CD2-CG2 3.64Å; F259-V683 HydrophobicContact CE2-CG2 3.83Å; F259-V683 HydrophobicContact CG-CG2 4Å; F259-V683 HydrophobicContact CZ-CG2 4.35Å; R326-V683 HydrophobicContact CB-CG1 4.26Å; R326-V683 HydrophobicContact CG-CG1 3.97Å; Y628-V683 HydrophobicContact CD1-CG1 3.73Å; Y628-V683 HydrophobicContact CD2-CG1 4.29Å; Y628-V683 HydrophobicContact CE1-CG1 3.55Å; Y628-V683 HydrophobicContact CE2-CG1 4.13Å; Y628-V683 HydrophobicContact CG-CG1 4.1Å; A679-V683 WeakPolarHBondContact O-CG2 3.44Å; A679-V683 PolarHBondContact O-N 2.92Å; L680-V683 PolarHBondContact O-N 3.05Å; V683-I686 WeakPolarHBondContact O-CG1 3.3Å
684L94.9Very high92.1Very high1 Ų119.4 Ų19.41%0.00510%0.095CC..Hα-helixtrans-72.4-37.7176.1-66168.5000112.3A601 C604 L605 L607 Y628 I662 L680 K682 I686 L687 M690A601-L684 HydrophobicContact CB-CD2 4.26Å; A601-L684 VanDerWaalsContact O-CD2 3.29Å; A601-L684 WeakPolarHBondContact O-CD2 3.42Å; C604-L684 HydrophobicContact CB-CD1 3.65Å; C604-L684 HydrophobicContact CB-CD2 3.9Å; C604-L684 HydrophobicContact CB-CG 4.38Å; L605-L684 HydrophobicContact CD2-CB 4.43Å; L607-L684 HydrophobicContact CD1-CD1 4.26Å; Y628-L684 HydrophobicContact CE2-CD2 4.1Å; I662-L684 HydrophobicContact CD1-CB 3.97Å; L680-L684 WeakPolarHBondContact O-CB 3.36Å; L680-L684 WeakPolarHBondContact O-CG 3.29Å; L680-L684 PolarHBondContact O-N 2.83Å; K682-L684 VanDerWaalsContact C-N 3.34Å; K682-L684 PolarHBondContact O-N 2.93Å; L684-I686 VanDerWaalsContact C-N 3.32Å; L684-I686 PolarHBondContact O-N 3.01Å; L684-L687 HydrophobicContact CD2-CD1 4.07Å; L684-L687 WeakPolarHBondContact O-CG 3.45Å; L684-L687 PolarHBondContact O-N 3.45Å; L684-M690 VanDerWaalsContact O-CG 3.26Å; L684-M690 WeakPolarHBondContact O-CG 3.37Å
685C94.3Very high90.7Very high8 Ų824.9 Ų24.95%0.05412%0.121CC..Hα-helixtrans-60.4-39.9-179.7-158.60000112.5V283 L289 I662 L666 L681 K682 L687V283-C685 HydrophobicContact CG2-CB 4.09Å; L289-C685 WeakPolarHBondContact CD1-O 3.46Å; L289-C685 VanDerWaalsContact CD2-O 3.31Å; L289-C685 WeakPolarHBondContact CD2-O 3.21Å; I662-C685 HydrophobicContact CG2-CB 3.8Å; L666-C685 HydrophobicContact CD1-CB 4.39Å; L681-C685 VanDerWaalsContact O-CB 3.24Å; L681-C685 WeakPolarHBondContact O-CB 3.46Å; L681-C685 PolarHBondContact O-N 3.27Å; K682-C685 WeakPolarHBondContact O-CB 3.21Å; K682-C685 PolarHBondContact O-N 2.95Å; C685-L687 VanDerWaalsContact C-N 3.28Å; C685-L687 PolarHBondContact O-N 3.14Å
686I95.3Very high89.1Confident1 Ų131.8 Ų31.81%0.00514%0.141CC..THydrogen-bonded Turntrans-75.3-8.5-177.759.2172.2000114.4F259 S261 R281 V283 L289 R326 K682 V683 L684F259-I686 HydrophobicContact CB-CD1 3.48Å; F259-I686 VanDerWaalsContact CB-CD1 3.48Å; S261-I686 WeakPolarHBondContact CB-O 3.45Å; S261-I686 PolarHBondContact OG-O 3.44Å; R281-I686 VanDerWaalsContact CD-O 3.28Å; R281-I686 WeakPolarHBondContact CD-O 3.48Å; V283-I686 HydrophobicContact CG2-CG2 3.79Å; L289-I686 HydrophobicContact CD1-CG2 4.1Å; R326-I686 HydrophobicContact CB-CD1 3.81Å; R326-I686 HydrophobicContact CB-CG1 4.4Å; R326-I686 HydrophobicContact CG-CD1 4.15Å; K682-I686 PolarHBondContact O-N 3.46Å; V683-I686 WeakPolarHBondContact O-CG1 3.3Å; L684-I686 VanDerWaalsContact C-N 3.32Å; L684-I686 PolarHBondContact O-N 3.01Å
687L95.8Very high87.7Confident1 Ų134.6 Ų34.61%0.00515%0.152CC..SBendtrans-61133.3178.3-63.6175.5000110.1R281 R326 A601 L684 C685 V689 M690R281-L687 PolarHBondContact NH1-O 3.34Å; R326-L687 VanDerWaalsContact O-CD2 3.24Å; R326-L687 WeakPolarHBondContact O-CD2 3.32Å; A601-L687 HydrophobicContact CB-CD1 3.94Å; L684-L687 HydrophobicContact CD2-CD1 4.07Å; L684-L687 WeakPolarHBondContact O-CG 3.45Å; L684-L687 PolarHBondContact O-N 3.45Å; C685-L687 VanDerWaalsContact C-N 3.28Å; C685-L687 PolarHBondContact O-N 3.14Å; L687-V689 HydrophobicContact CB-CG1 4.01Å; L687-V689 PolarHBondContact O-N 3.33Å; L687-M690 HydrophobicContact CB-CG 4.35Å; L687-M690 PolarHBondContact O-N 2.82Å
688P95.3Very high86.5Confident0 Ų036.4 Ų36.40%016%0.161CC..THydrogen-bonded Turntrans-56-28.2-176.3-2934.3000114.9I263 R281 A329 T357 L358 C359 S360 M690I263-P688 HydrophobicContact CD1-CB 4.04Å; I263-P688 HydrophobicContact CD1-CG 4.29Å; I263-P688 HydrophobicContact CG1-CB 4.12Å; I263-P688 HydrophobicContact CG1-CG 4.04Å; R281-P688 PolarHBondContact NH1-O 3.26Å; A329-P688 HydrophobicContact CB-CB 3.47Å; A329-P688 VanDerWaalsContact CB-CB 3.47Å; A329-P688 HydrophobicContact CB-CG 3.78Å; T357-P688 HydrophobicContact CG2-CB 3.99Å; T357-P688 HydrophobicContact CG2-CG 3.95Å; L358-P688 CarbonylContact O-C 3.47Å; L358-P688 VanDerWaalsContact O-C 3.24Å; C359-P688 CarbonylContact C-O 3.48Å; C359-P688 WeakPolarHBondContact CA-O 3.26Å; C359-P688 HydrophobicContact CB-CB 4.42Å; S360-P688 PolarHBondContact N-O 3Å; P688-M690 VanDerWaalsContact C-N 3.33Å; P688-M690 PolarHBondContact O-N 2.85Å
689V94.2Very high85.6Confident0 Ų035.6 Ų35.60%016%0.16CC..THydrogen-bonded Turntrans-64.8-31.6176.560.10000113.4L358 L602 L687L358-V689 HydrophobicContact CD1-CB 4.36Å; L358-V689 HydrophobicContact CD1-CG2 3.99Å; L358-V689 HydrophobicContact CD2-CG2 4.31Å; L358-V689 HydrophobicContact CG-CB 4.26Å; L358-V689 HydrophobicContact CG-CG2 4.03Å; L358-V689 VanDerWaalsContact O-CA 3.31Å; L358-V689 WeakPolarHBondContact O-CA 3.47Å; L358-V689 PolarHBondContact O-N 3.48Å; L602-V689 HydrophobicContact CD2-CG1 3.97Å; L687-V689 HydrophobicContact CB-CG1 4.01Å; L687-V689 PolarHBondContact O-N 3.33Å
690M92.9Very high85.1Confident10 Ų1035.2 Ų35.25%0.04916%0.157CC..SBendtrans-70142.5-177.4-65.4-51.2-57.700111.5R281 S360 T504 L605 I662 L684 L687 P688R281-M690 PolarHBondContact NH1-O 3.24Å; S360-M690 WeakPolarHBondContact CB-O 3.31Å; S360-M690 PolarHBondContact OG-O 3.07Å; T504-M690 HydrophobicContact CG2-CE 4.48Å; L605-M690 HydrophobicContact CD1-SD 4.08Å; L605-M690 HydrophobicContact CD2-CE 4.26Å; L605-M690 HydrophobicContact CD2-SD 4.04Å; I662-M690 HydrophobicContact CD1-CE 3.82Å; I662-M690 HydrophobicContact CD1-CG 4.4Å; I662-M690 HydrophobicContact CD1-SD 4.45Å; I662-M690 HydrophobicContact CG1-CE 4.42Å; L684-M690 VanDerWaalsContact O-CG 3.26Å; L684-M690 WeakPolarHBondContact O-CG 3.37Å; L687-M690 HydrophobicContact CB-CG 4.35Å; L687-M690 PolarHBondContact O-N 2.82Å; P688-M690 VanDerWaalsContact C-N 3.33Å; P688-M690 PolarHBondContact O-N 2.85Å
691K88.5Confident84.8Confident94 Ų9435.4 Ų35.441%0.40916%0.158SC..  trans-75.8137.4-179.4-177.7176.2162.7-109.30111.8E693K691-E693 IonicContact NZ-OE2 2.83Å; K691-E693 PolarHBondContact NZ-OE2 3.1Å; K691-E693 PolarHBondContact O-N 3.21Å
692V84.8Confident84.4Confident9 Ų938.8 Ų38.86%0.05517%0.173CC..  trans-75106.4165-176.90000108L289 N694 E698L289-V692 HydrophobicContact CD2-CG2 3.99Å; L289-V692 HydrophobicContact CG-CG2 4.26Å; V692-N694 PolarHBondContact O-N 2.8Å; V692-E698 HydrophobicContact CB-CB 4.39Å; V692-E698 HydrophobicContact CG1-CB 4.2Å
693E74.4Confident84.3Confident68 Ų6838.8 Ų38.832%0.31817%0.172SC..SBendtrans-70.5-30.1-168.6-63.8-65.5-171.500114.5T661 K691T661-E693 HydrophobicContact CG2-CG 4.42Å; T661-E693 WeakPolarHBondContact CG2-OE1 3.47Å; K691-E693 IonicContact NZ-OE2 2.83Å; K691-E693 PolarHBondContact NZ-OE2 3.1Å; K691-E693 PolarHBondContact O-N 3.21Å
694N70.3Confident84.2Confident52 Ų5238.7 Ų38.728%0.27817%0.172SC..SBendtrans-112.1114.7179.7175.4-4.5000109.7V692 R696 Y697V692-N694 PolarHBondContact O-N 2.8Å; N694-R696 PolarHBondContact O-N 2.91Å; N694-R696 WeakPolarHBondContact OD1-CB 3.43Å; N694-R696 WeakPolarHBondContact OD1-CG 3.47Å; N694-R696 PolarHBondContact OD1-N 2.94Å; N694-R696 VanDerWaalsContact OD1-N 3.15Å; N694-Y697 HydrophobicContact CB-CD2 3.81Å; N694-Y697 HydrophobicContact CB-CE2 4.05Å; N694-Y697 VanDerWaalsContact ND2-CE2 3.29Å; N694-Y697 WeakPolarHBondContact ND2-CE2 3.47Å; N694-Y697 PolarHBondContact O-N 3.14Å
695E65.9Low83.9Confident139 Ų13942.7 Ų42.765%0.6519%0.189SC*.G310 helixtrans-55-21.3-175.5-72.4-158.9-121.400115Y697 E698 K702E695-Y697 PolarHBondContact O-N 2.69Å; E695-E698 PolarHBondContact O-N 2.8Å; E695-K702 IonicContact OE2-NZ 3.44Å; E695-K702 PolarHBondContact OE2-NZ 2.89Å
696R62.3Low83.7Confident186 Ų18643.7 Ų43.770%0.70220%0.197SC*.G310 helixtrans-63.6-21.3175.4-63.7-179.3-177.1-174.61.2113.6N694 N699N694-R696 PolarHBondContact O-N 2.91Å; N694-R696 WeakPolarHBondContact OD1-CB 3.43Å; N694-R696 WeakPolarHBondContact OD1-CG 3.47Å; N694-R696 PolarHBondContact OD1-N 2.94Å; N694-R696 VanDerWaalsContact OD1-N 3.15Å; R696-N699 WeakPolarHBondContact O-CB 3.3Å; R696-N699 VanDerWaalsContact O-CG 3.27Å; R696-N699 PolarHBondContact O-ND2 3.2Å
697Y67.7Low83.6Confident59 Ų5943.7 Ų43.723%0.23120%0.197CC..G310 helixtrans-105.40.3-177.5-53.8-58.4000113.4N288 L289 R290 E291 N694 E695N288-Y697 HydrophobicContact CB-CD1 4.47Å; N288-Y697 HydrophobicContact CB-CD2 3.78Å; N288-Y697 HydrophobicContact CB-CE1 4.24Å; N288-Y697 HydrophobicContact CB-CE2 3.53Å; N288-Y697 HydrophobicContact CB-CG 4.27Å; N288-Y697 VanDerWaalsContact CG-CE2 3.4Å; N288-Y697 VanDerWaalsContact CG-CZ 3.45Å; N288-Y697 PolarHBondContact ND2-OH 3.16Å; N288-Y697 WeakPolarHBondContact OD1-CE2 3.28Å; N288-Y697 PolarHBondContact OD1-OH 2.91Å; L289-Y697 WeakPolarHBondContact O-CB 3.15Å; R290-Y697 HydrophobicContact CG-CD1 3.93Å; R290-Y697 HydrophobicContact CG-CG 4.27Å; E291-Y697 PolarHBondContact N-O 3.24Å; N694-Y697 HydrophobicContact CB-CD2 3.81Å; N694-Y697 HydrophobicContact CB-CE2 4.05Å; N694-Y697 VanDerWaalsContact ND2-CE2 3.29Å; N694-Y697 WeakPolarHBondContact ND2-CE2 3.47Å; N694-Y697 PolarHBondContact O-N 3.14Å; E695-Y697 PolarHBondContact O-N 2.69Å
698E68.4Low83.3Confident39 Ų3945.3 Ų45.318%0.18221%0.206CC..SBendtrans-94.621.8167.4-156.4-163.8-177.800111.1S361 V692 E695 K702S361-E698 WeakPolarHBondContact CB-OE1 3.39Å; V692-E698 HydrophobicContact CB-CB 4.39Å; V692-E698 HydrophobicContact CG1-CB 4.2Å; E695-E698 PolarHBondContact O-N 2.8Å; E698-K702 WeakPolarHBondContact OE2-CE 3.28Å; E698-K702 IonicContact OE2-NZ 3.68Å; E698-K702 PolarHBondContact OE2-NZ 3.4Å
699N76.9Confident82.9Confident45 Ų4554.1 Ų54.124%0.24124%0.239CC..Hα-helixtrans-71.6-38.8-165.1-106.8-21.7000112.8R696 R701 K702 R703R696-N699 WeakPolarHBondContact O-CB 3.3Å; R696-N699 VanDerWaalsContact O-CG 3.27Å; R696-N699 PolarHBondContact O-ND2 3.2Å; N699-R701 PolarHBondContact O-N 3.18Å; N699-K702 PolarHBondContact O-N 3.44Å; N699-R703 PolarHBondContact ND2-NH2 3Å; N699-R703 WeakPolarHBondContact O-CB 3.34Å; N699-R703 VanDerWaalsContact O-CG 3.23Å; N699-R703 WeakPolarHBondContact O-CG 3.47Å; N699-R703 PolarHBondContact O-N 3.12Å
700G85.1Confident82.5Confident0 Ų059.3 Ų59.30%027%0.267CS..Hα-helixtrans-54-48.3-178.200000112.8E291 R703 L704E291-G700 PolarHBondContact O-N 2.86Å; G700-R703 PolarHBondContact O-N 3.08Å; G700-L704 WeakPolarHBondContact O-CB 3.25Å; G700-L704 PolarHBondContact O-N 3.29Å
701R88.3Confident82.3Confident5 Ų559.1 Ų59.12%0.01927%0.267CS..Hα-helixtrans-69.2-41.1178.4-166176.6-57.7-94.30.8113.2T264 D265 L279 E291 S361 N699 R703 L704 K705T264-R701 PolarHBondContact O-NH1 3.26Å; D265-R701 VanDerWaalsContact CG-NH1 3.26Å; D265-R701 WeakPolarHBondContact OD2-CD 3.49Å; D265-R701 IonicContact OD2-CZ 3.13Å; D265-R701 IonicContact OD2-NE 2.73Å; D265-R701 IonicContact OD2-NH1 2.67Å; D265-R701 PolarHBondContact OD2-NH1 2.94Å; L279-R701 HydrophobicContact CD2-CB 3.81Å; L279-R701 HydrophobicContact CD2-CG 4.46Å; E291-R701 IonicContact OE1-CZ 2.64Å; E291-R701 IonicContact OE1-NE 2.82Å; E291-R701 PolarHBondContact OE1-NE 3.37Å; E291-R701 IonicContact OE1-NH2 3.8Å; E291-R701 PolarHBondContact OE1-NH2 2.88Å; S361-R701 PolarHBondContact OG-NE 2.73Å; S361-R701 VanDerWaalsContact OG-NE 3.08Å; N699-R701 PolarHBondContact O-N 3.18Å; R701-R703 VanDerWaalsContact C-N 3.28Å; R701-R703 PolarHBondContact O-N 2.73Å; R701-L704 PolarHBondContact O-N 3.17Å; R701-K705 PolarHBondContact O-N 2.72Å
702K88Confident82.2Confident71 Ų7159.8 Ų59.831%0.30927%0.274SS..Hα-helixtrans-61-39.8177.6-73.8172.6179.8161.80111.2E695 E698 N699 A706E695-K702 IonicContact OE2-NZ 3.44Å; E695-K702 PolarHBondContact OE2-NZ 2.89Å; E698-K702 WeakPolarHBondContact OE2-CE 3.28Å; E698-K702 IonicContact OE2-NZ 3.68Å; E698-K702 PolarHBondContact OE2-NZ 3.4Å; N699-K702 PolarHBondContact O-N 3.44Å; K702-A706 WeakPolarHBondContact O-CB 3.45Å; K702-A706 PolarHBondContact O-N 3.48Å
703R91.3Very high82.2Confident25 Ų2562 Ų629%0.09429%0.288CS..Hα-helixtrans-74.2-40.3176.5-64.6170.6-164175.91.9112.8N699 G700 R701 K705 A706 Y707 I725 F727 D728N699-R703 PolarHBondContact ND2-NH2 3Å; N699-R703 WeakPolarHBondContact O-CB 3.34Å; N699-R703 VanDerWaalsContact O-CG 3.23Å; N699-R703 WeakPolarHBondContact O-CG 3.47Å; N699-R703 PolarHBondContact O-N 3.12Å; G700-R703 PolarHBondContact O-N 3.08Å; R701-R703 VanDerWaalsContact C-N 3.28Å; R701-R703 PolarHBondContact O-N 2.73Å; R703-K705 PolarHBondContact O-N 2.92Å; R703-A706 CarbonylContact O-C 3.53Å; R703-A706 WeakPolarHBondContact O-CB 3.45Å; R703-A706 PolarHBondContact O-N 3.22Å; R703-A706 VanDerWaalsContact O-N 3.14Å; R703-Y707 WeakPolarHBondContact O-CB 3.43Å; R703-Y707 PolarHBondContact O-N 2.59Å; R703-I725 HydrophobicContact CB-CB 4.44Å; R703-I725 HydrophobicContact CB-CG2 4.04Å; R703-I725 WeakPolarHBondContact CD-O 3.43Å; R703-I725 PolarHBondContact NH1-O 2.93Å; R703-F727 HydrophobicContact CG-CE1 4.27Å; R703-D728 IonicContact CZ-OD1 2.66Å; R703-D728 IonicContact CZ-OD2 3.17Å; R703-D728 VanDerWaalsContact NH1-CG 3.27Å; R703-D728 IonicContact NH1-OD1 2.68Å; R703-D728 PolarHBondContact NH1-OD1 3.37Å; R703-D728 IonicContact NH1-OD2 3.81Å; R703-D728 PolarHBondContact NH1-OD2 3.48Å; R703-D728 VanDerWaalsContact NH2-CG 3.27Å; R703-D728 IonicContact NH2-OD1 3.34Å; R703-D728 IonicContact NH2-OD2 2.71Å; R703-D728 PolarHBondContact NH2-OD2 3.3Å
704L92.9Very high82.6Confident0 Ų064.6 Ų64.60%030%0.303CS..Hα-helixtrans-54.7-50.1171.3172.365.7000111.2D265 P277 L279 F293 F296 G700 R701 A706 Y707 L708 I725D265-L704 HydrophobicContact CB-CD2 4.35Å; P277-L704 HydrophobicContact CB-CD1 4.24Å; P277-L704 HydrophobicContact CB-CD2 3.54Å; P277-L704 HydrophobicContact CG-CD2 4.12Å; L279-L704 HydrophobicContact CD1-CD2 4.27Å; F293-L704 HydrophobicContact CD2-CD2 4.4Å; F293-L704 HydrophobicContact CE2-CD1 4.37Å; F296-L704 HydrophobicContact CE1-CD1 3.99Å; F296-L704 HydrophobicContact CZ-CD1 3.89Å; G700-L704 WeakPolarHBondContact O-CB 3.25Å; G700-L704 PolarHBondContact O-N 3.29Å; R701-L704 PolarHBondContact O-N 3.17Å; L704-A706 VanDerWaalsContact C-N 3.31Å; L704-A706 PolarHBondContact O-N 3.04Å; L704-Y707 PolarHBondContact O-N 2.99Å; L704-L708 HydrophobicContact CD1-CD1 3.81Å; L704-L708 HydrophobicContact CD1-CG 4.18Å; L704-L708 HydrophobicContact CG-CD1 3.93Å; L704-L708 VanDerWaalsContact O-CG 3.29Å; L704-L708 WeakPolarHBondContact O-CG 3.31Å; L704-L708 PolarHBondContact O-N 3.49Å; L704-I725 HydrophobicContact CB-CD1 4.03Å; L704-I725 HydrophobicContact CD1-CD1 3.68Å; L704-I725 HydrophobicContact CG-CD1 4.48Å
705K89.4Confident83.3Confident85 Ų8566.3 Ų66.337%0.3731%0.31SS..Hα-helixtrans-64.5-33.7177-69.6-174175.3-172.30112.6D265 R701 R703 R709D265-K705 VanDerWaalsContact OD2-CE 3.26Å; D265-K705 WeakPolarHBondContact OD2-CE 3.3Å; D265-K705 IonicContact OD2-NZ 3.82Å; R701-K705 PolarHBondContact O-N 2.72Å; R703-K705 PolarHBondContact O-N 2.92Å; K705-R709 WeakPolarHBondContact O-CB 3.36Å; K705-R709 PolarHBondContact O-N 3.46Å
706A89.4Confident84.5Confident28 Ų2861.5 Ų61.523%0.23129%0.286CS..Hα-helixtrans-67.7-45.3172.800000112.4K702 R703 L704 R709 N710K702-A706 WeakPolarHBondContact O-CB 3.45Å; K702-A706 PolarHBondContact O-N 3.48Å; R703-A706 CarbonylContact O-C 3.53Å; R703-A706 WeakPolarHBondContact O-CB 3.45Å; R703-A706 PolarHBondContact O-N 3.22Å; R703-A706 VanDerWaalsContact O-N 3.14Å; L704-A706 VanDerWaalsContact C-N 3.31Å; L704-A706 PolarHBondContact O-N 3.04Å; A706-R709 PolarHBondContact O-N 3.28Å; A706-N710 WeakPolarHBondContact O-CB 3.3Å; A706-N710 PolarHBondContact O-N 3.42Å; A706-N710 PolarHBondContact O-OD1 2.94Å
707Y93.1Very high85.9Confident1 Ų154 Ų540%0.00426%0.262CS..Hα-helixtrans-57.9-51176.3174.6-93.7000111.4N180 R703 L704 R709 N710 T711 R716 S717 A721 N724N180-Y707 WeakPolarHBondContact OD1-CE2 3.43Å; R703-Y707 WeakPolarHBondContact O-CB 3.43Å; R703-Y707 PolarHBondContact O-N 2.59Å; L704-Y707 PolarHBondContact O-N 2.99Å; Y707-R709 VanDerWaalsContact C-N 3.3Å; Y707-R709 PolarHBondContact O-N 3.05Å; Y707-N710 PolarHBondContact O-N 3.37Å; Y707-T711 WeakPolarHBondContact CD2-OG1 3.34Å; Y707-T711 HydrophobicContact CE2-CG2 4.27Å; Y707-T711 WeakPolarHBondContact CE2-OG1 3.37Å; Y707-T711 VanDerWaalsContact O-CB 3.25Å; Y707-T711 WeakPolarHBondContact O-CB 3.5Å; Y707-T711 PolarHBondContact O-N 3.34Å; Y707-T711 PolarHBondContact O-OG1 2.88Å; Y707-R716 HydrophobicContact CE1-CG 4.08Å; Y707-R716 WeakPolarHBondContact OH-CA 3.38Å; Y707-S717 PolarHBondContact OH-N 3.46Å; Y707-A721 HydrophobicContact CD1-CB 3.99Å; Y707-A721 HydrophobicContact CD2-CB 4.39Å; Y707-A721 HydrophobicContact CE1-CB 3.49Å; Y707-A721 VanDerWaalsContact CE1-CB 3.49Å; Y707-A721 HydrophobicContact CE2-CB 3.9Å; Y707-A721 HydrophobicContact CG-CB 4.43Å; Y707-A721 VanDerWaalsContact CZ-CB 3.45Å; Y707-N724 HydrophobicContact CD2-CB 3.94Å; Y707-N724 HydrophobicContact CE2-CB 4.41Å
708L91.1Very high87Confident35 Ų3552.4 Ų52.418%0.18326%0.26CS..Hα-helixtrans-63.3-33.6-177.8-68.5166.7000113.3V268 L704 R716V268-L708 HydrophobicContact CB-CD2 3.95Å; V268-L708 HydrophobicContact CG1-CD1 3.7Å; V268-L708 HydrophobicContact CG1-CD2 3.73Å; V268-L708 HydrophobicContact CG1-CG 4.36Å; V268-L708 HydrophobicContact CG2-CD2 4.25Å; L704-L708 HydrophobicContact CD1-CD1 3.81Å; L704-L708 HydrophobicContact CD1-CG 4.18Å; L704-L708 HydrophobicContact CG-CD1 3.93Å; L704-L708 VanDerWaalsContact O-CG 3.29Å; L704-L708 WeakPolarHBondContact O-CG 3.31Å; L704-L708 PolarHBondContact O-N 3.49Å; L708-R716 PolarHBondContact O-NH2 2.88Å
709R85.9Confident88.2Confident186 Ų18651.9 Ų51.970%0.70226%0.258SS*.Hα-helixtrans-77.1-35.8175.9-176.7-171.964.7-154.4-6.6112.7K705 A706 Y707K705-R709 WeakPolarHBondContact O-CB 3.36Å; K705-R709 PolarHBondContact O-N 3.46Å; A706-R709 PolarHBondContact O-N 3.28Å; Y707-R709 VanDerWaalsContact C-N 3.3Å; Y707-R709 PolarHBondContact O-N 3.05Å
710N86.9Confident88.9Confident108 Ų10850 Ų5058%0.57825%0.248SC*.Hα-helixtrans-91-13.4-173.8-63.55.8000113.1A706 Y707A706-N710 WeakPolarHBondContact O-CB 3.3Å; A706-N710 PolarHBondContact O-N 3.42Å; A706-N710 PolarHBondContact O-OD1 2.94Å; Y707-N710 PolarHBondContact O-N 3.37Å
711T88.6Confident89.3Confident7 Ų750 Ų504%0.04325%0.248CC..SBendtrans-113.2121.7-178.1-40.80000110.6N180 Y707 Q715 R716N180-T711 PolarHBondContact ND2-OG1 3.46Å; Y707-T711 WeakPolarHBondContact CD2-OG1 3.34Å; Y707-T711 HydrophobicContact CE2-CG2 4.27Å; Y707-T711 WeakPolarHBondContact CE2-OG1 3.37Å; Y707-T711 VanDerWaalsContact O-CB 3.25Å; Y707-T711 WeakPolarHBondContact O-CB 3.5Å; Y707-T711 PolarHBondContact O-N 3.34Å; Y707-T711 PolarHBondContact O-OG1 2.88Å; T711-Q715 HydrophobicContact CG2-CB 4.06Å; T711-R716 HydrophobicContact CG2-CG 3.92Å; T711-R716 PolarHBondContact O-NE 2.93Å
712L85.2Confident89.6Confident107 Ų10749.9 Ų49.956%0.5625%0.247SC*.  trans-61.9146.3174.2-55.4176.6000110.3D714 Q715 R716L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 WeakPolarHBondContact CB-OD1 3.45Å; L712-D714 PolarHBondContact O-N 2.92Å; L712-Q715 HydrophobicContact CB-CG 4.32Å; L712-Q715 WeakPolarHBondContact O-CA 3.42Å; L712-Q715 PolarHBondContact O-N 2.97Å; L712-R716 PolarHBondContact O-N 3.17Å
713T85.4Confident89.9Confident57 Ų5746.5 Ų46.535%0.3523%0.233SC..G310 helixtrans-58.3-42.5-169.7-54.30000113.3D269 Q715 R716D269-T713 HydrophobicContact CB-CG2 3.58Å; D269-T713 WeakPolarHBondContact OD1-CG2 3.46Å; T713-Q715 PolarHBondContact O-N 3.12Å; T713-R716 WeakPolarHBondContact O-CB 3.2Å; T713-R716 PolarHBondContact O-N 3.35Å
714D83.4Confident90.1Very high121 Ų12146.7 Ų46.765%0.64724%0.236SC*.G310 helixtrans-58.7-27.3173.254.7-56.7000113.7L712L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 WeakPolarHBondContact CB-OD1 3.45Å; L712-D714 PolarHBondContact O-N 2.92Å
715Q85.1Confident90.1Very high89 Ų8946.7 Ų46.742%0.41624%0.236SC..G310 helixtrans-96.60.8-178.2-58.2-178.6-3.200113.2T711 L712 T713T711-Q715 HydrophobicContact CG2-CB 4.06Å; L712-Q715 HydrophobicContact CB-CG 4.32Å; L712-Q715 WeakPolarHBondContact O-CA 3.42Å; L712-Q715 PolarHBondContact O-N 2.97Å; T713-Q715 PolarHBondContact O-N 3.12Å
716R90.4Very high90.3Very high37 Ų3742.6 Ų42.614%0.1422%0.218CC..  trans-77.3137.9-178.7-70173.2-171.3165.20.5111.8D269 I270 Y707 L708 T711 L712 T713D269-R716 WeakPolarHBondContact O-CD 3.3Å; D269-R716 PolarHBondContact O-NH1 3.34Å; I270-R716 HydrophobicContact CB-CB 4.44Å; I270-R716 HydrophobicContact CG1-CB 4.42Å; I270-R716 HydrophobicContact CG2-CB 4.18Å; Y707-R716 HydrophobicContact CE1-CG 4.08Å; Y707-R716 WeakPolarHBondContact OH-CA 3.38Å; L708-R716 PolarHBondContact O-NH2 2.88Å; T711-R716 HydrophobicContact CG2-CG 3.92Å; T711-R716 PolarHBondContact O-NE 2.93Å; L712-R716 PolarHBondContact O-N 3.17Å; T713-R716 WeakPolarHBondContact O-CB 3.2Å; T713-R716 PolarHBondContact O-N 3.35Å
717S90.6Very high90.3Very high30 Ų3045.9 Ų45.921%0.2123%0.227CC..  trans-144.8130.6179.4167.30000109.5Y707 N719 L720 A721Y707-S717 PolarHBondContact OH-N 3.46Å; S717-N719 VanDerWaalsContact C-N 3.27Å; S717-N719 PolarHBondContact O-N 3.21Å; S717-L720 PolarHBondContact O-N 2.82Å; S717-A721 WeakPolarHBondContact O-CB 3.4Å; S717-A721 PolarHBondContact O-N 3.39Å
718S92.1Very high90.1Very high25 Ų2549.7 Ų49.718%0.17525%0.248CC..Hα-helixtrans-50.5-47.4177.61730000112.1E243 A721 L722E243-S718 PolarHBondContact OE2-OG 3.14Å; S718-A721 PolarHBondContact O-N 2.98Å; S718-L722 PolarHBondContact O-N 3.04Å
719N92.6Very high89.9Confident28 Ų2848.6 Ų48.615%0.1524%0.242CC..Hα-helixtrans-64-53.4-176.5-50.378.7000110.9L239 E240 E243 S717 A721 L722 L723L239-N719 HydrophobicContact CB-CB 3.99Å; L239-N719 PolarHBondContact O-ND2 2.85Å; E240-N719 PolarHBondContact N-ND2 3.18Å; E243-N719 WeakPolarHBondContact OE2-CA 3.15Å; E243-N719 PolarHBondContact OE2-N 3.48Å; E243-N719 PolarHBondContact OE2-ND2 3.49Å; S717-N719 VanDerWaalsContact C-N 3.27Å; S717-N719 PolarHBondContact O-N 3.21Å; N719-A721 VanDerWaalsContact C-N 3.3Å; N719-A721 PolarHBondContact O-N 2.85Å; N719-L722 PolarHBondContact O-N 3.24Å; N719-L723 VanDerWaalsContact O-CG 3.3Å; N719-L723 WeakPolarHBondContact O-CG 3.46Å; N719-L723 PolarHBondContact O-N 3.38Å; N719-L723 VanDerWaalsContact O-N 3.12Å
720L92.1Very high90Very high6 Ų647.8 Ų47.83%0.03124%0.243CC..Hα-helixtrans-64-37.6-179.6-61.5179.9000111.6L183 L239 S717 L723 N724L183-L720 HydrophobicContact CG-CD1 4.28Å; L183-L720 HydrophobicContact CG-CD2 4.48Å; L239-L720 HydrophobicContact CD2-CD2 4Å; S717-L720 PolarHBondContact O-N 2.82Å; L720-L723 PolarHBondContact O-N 3.47Å; L720-N724 WeakPolarHBondContact O-CB 3.11Å; L720-N724 PolarHBondContact O-N 3.25Å
721A93.9Very high90Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-61.5-46.6175.500000112.2F296 Y707 S717 S718 N719 L723 N724 I725F296-A721 HydrophobicContact CE2-CB 3.6Å; F296-A721 HydrophobicContact CZ-CB 4.15Å; Y707-A721 HydrophobicContact CD1-CB 3.99Å; Y707-A721 HydrophobicContact CD2-CB 4.39Å; Y707-A721 HydrophobicContact CE1-CB 3.49Å; Y707-A721 VanDerWaalsContact CE1-CB 3.49Å; Y707-A721 HydrophobicContact CE2-CB 3.9Å; Y707-A721 HydrophobicContact CG-CB 4.43Å; Y707-A721 VanDerWaalsContact CZ-CB 3.45Å; S717-A721 WeakPolarHBondContact O-CB 3.4Å; S717-A721 PolarHBondContact O-N 3.39Å; S718-A721 PolarHBondContact O-N 2.98Å; N719-A721 VanDerWaalsContact C-N 3.3Å; N719-A721 PolarHBondContact O-N 2.85Å; A721-L723 VanDerWaalsContact C-N 3.32Å; A721-L723 PolarHBondContact O-N 3.35Å; A721-N724 PolarHBondContact O-N 2.98Å; A721-I725 HydrophobicContact CB-CD1 4.43Å; A721-I725 WeakPolarHBondContact O-CB 3.29Å; A721-I725 WeakPolarHBondContact O-CD1 3.48Å; A721-I725 WeakPolarHBondContact O-CG1 3.18Å; A721-I725 PolarHBondContact O-N 3.24Å
722L94.7Very high90.2Very high1 Ų150 Ų501%0.00525%0.252CS..Hα-helixtrans-61-43.5175.9-164.984.5000111E243 I246 R247 F293 I294 S718 N719 N724 I725 N726E243-L722 HydrophobicContact CB-CD2 4.32Å; E243-L722 HydrophobicContact CG-CB 4.04Å; E243-L722 HydrophobicContact CG-CD2 3.51Å; E243-L722 HydrophobicContact CG-CG 4.35Å; E243-L722 WeakPolarHBondContact O-CD2 3.2Å; I246-L722 HydrophobicContact CG2-CD2 4.47Å; R247-L722 HydrophobicContact CB-CD2 3.96Å; F293-L722 HydrophobicContact CD1-CD1 3.76Å; F293-L722 HydrophobicContact CE1-CD1 3.71Å; I294-L722 VanDerWaalsContact O-CD1 3.3Å; I294-L722 WeakPolarHBondContact O-CD1 3.37Å; S718-L722 PolarHBondContact O-N 3.04Å; N719-L722 PolarHBondContact O-N 3.24Å; L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.41Å; L722-I725 PolarHBondContact O-N 3.01Å; L722-N726 WeakPolarHBondContact CD1-ND2 3.48Å; L722-N726 WeakPolarHBondContact O-CB 3.35Å; L722-N726 PolarHBondContact O-N 3Å
723L94.4Very high90.5Very high0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-64.6-33.9178-62.3176.7000113L239 C242 I246 N719 L720 A721 F727L239-L723 HydrophobicContact CD2-CD1 3.88Å; C242-L723 HydrophobicContact CB-CD1 3.97Å; C242-L723 HydrophobicContact CB-CD2 3.88Å; C242-L723 HydrophobicContact CB-CG 4.46Å; I246-L723 HydrophobicContact CD1-CD2 3.36Å; N719-L723 VanDerWaalsContact O-CG 3.3Å; N719-L723 WeakPolarHBondContact O-CG 3.46Å; N719-L723 PolarHBondContact O-N 3.38Å; N719-L723 VanDerWaalsContact O-N 3.12Å; L720-L723 PolarHBondContact O-N 3.47Å; A721-L723 VanDerWaalsContact C-N 3.32Å; A721-L723 PolarHBondContact O-N 3.35Å; L723-F727 WeakPolarHBondContact O-CA 3.28Å
724N94.5Very high90.9Very high29 Ų2947.1 Ų47.116%0.15524%0.235CC..Hα-helixtrans-76.8-38.6176.7-171.3-112.2000112.7G177 K178 Y707 L720 A721 L722 F727G177-N724 WeakPolarHBondContact O-CA 3.38Å; G177-N724 VanDerWaalsContact O-CB 3.32Å; G177-N724 WeakPolarHBondContact O-CB 3.39Å; G177-N724 PolarHBondContact O-N 2.92Å; K178-N724 PolarHBondContact O-ND2 3.31Å; Y707-N724 HydrophobicContact CD2-CB 3.94Å; Y707-N724 HydrophobicContact CE2-CB 4.41Å; L720-N724 WeakPolarHBondContact O-CB 3.11Å; L720-N724 PolarHBondContact O-N 3.25Å; A721-N724 PolarHBondContact O-N 2.98Å; L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.41Å; N724-F727 WeakPolarHBondContact O-CD1 3.42Å
725I94.6Very high91.4Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-75.8-39.6-178.4-65163.4000110.4F293 R703 L704 A721 L722 F727F293-I725 HydrophobicContact CB-CG2 3.57Å; F293-I725 HydrophobicContact CD1-CB 3.96Å; F293-I725 HydrophobicContact CD1-CD1 3.62Å; F293-I725 HydrophobicContact CD1-CG1 4.4Å; F293-I725 HydrophobicContact CD1-CG2 3.7Å; F293-I725 HydrophobicContact CE1-CD1 3.65Å; F293-I725 HydrophobicContact CG-CD1 4.27Å; F293-I725 HydrophobicContact CG-CG2 3.9Å; F293-I725 HydrophobicContact CZ-CD1 4.33Å; R703-I725 HydrophobicContact CB-CB 4.44Å; R703-I725 HydrophobicContact CB-CG2 4.04Å; R703-I725 WeakPolarHBondContact CD-O 3.43Å; R703-I725 PolarHBondContact NH1-O 2.93Å; L704-I725 HydrophobicContact CB-CD1 4.03Å; L704-I725 HydrophobicContact CD1-CD1 3.68Å; L704-I725 HydrophobicContact CG-CD1 4.48Å; A721-I725 HydrophobicContact CB-CD1 4.43Å; A721-I725 WeakPolarHBondContact O-CB 3.29Å; A721-I725 WeakPolarHBondContact O-CD1 3.48Å; A721-I725 WeakPolarHBondContact O-CG1 3.18Å; A721-I725 PolarHBondContact O-N 3.24Å; L722-I725 PolarHBondContact O-N 3.01Å; I725-F727 PolarHBondContact O-N 3.01Å
726N92.8Very high91.9Very high0 Ų041.2 Ų41.20%021%0.206CC..THydrogen-bonded Turntrans-99.837.5-179-63.5-21.4000112I246 F293 L722 D728 I729I246-N726 HydrophobicContact CG2-CB 3.84Å; F293-N726 PolarHBondContact O-ND2 3.48Å; L722-N726 WeakPolarHBondContact CD1-ND2 3.48Å; L722-N726 WeakPolarHBondContact O-CB 3.35Å; L722-N726 PolarHBondContact O-N 3Å; N726-D728 PolarHBondContact O-N 3.25Å; N726-I729 HydrophobicContact CB-CB 4.44Å; N726-I729 HydrophobicContact CB-CD1 3.74Å; N726-I729 HydrophobicContact CB-CG1 3.93Å; N726-I729 WeakPolarHBondContact O-CB 3.43Å; N726-I729 PolarHBondContact O-N 2.82Å; N726-I729 VanDerWaalsContact O-N 3.11Å
727F88.9Confident92.1Very high97 Ų9739.5 Ų39.543%0.42520%0.2SC..THydrogen-bonded Turntrans-66-19.1-171.275.1-98000115K178 R703 L723 N724 I725K178-F727 HydrophobicContact CB-CB 4.22Å; K178-F727 HydrophobicContact CD-CB 4.3Å; K178-F727 WeakPolarHBondContact CD-O 3.35Å; K178-F727 VanDerWaalsContact CE-O 3.22Å; K178-F727 WeakPolarHBondContact CE-O 3.19Å; K178-F727 HydrophobicContact CG-CB 3.96Å; K178-F727 PolarHBondContact NZ-O 3.02Å; R703-F727 HydrophobicContact CG-CE1 4.27Å; L723-F727 WeakPolarHBondContact O-CA 3.28Å; N724-F727 WeakPolarHBondContact O-CD1 3.42Å; I725-F727 PolarHBondContact O-N 3.01Å
728D89.1Confident92.2Very high81 Ų8141.2 Ų41.243%0.43321%0.206SC..THydrogen-bonded Turntrans-90.5-13.417758.2-17.4000113.3R703 N726R703-D728 IonicContact CZ-OD1 2.66Å; R703-D728 IonicContact CZ-OD2 3.17Å; R703-D728 VanDerWaalsContact NH1-CG 3.27Å; R703-D728 IonicContact NH1-OD1 2.68Å; R703-D728 PolarHBondContact NH1-OD1 3.37Å; R703-D728 IonicContact NH1-OD2 3.81Å; R703-D728 PolarHBondContact NH1-OD2 3.48Å; R703-D728 VanDerWaalsContact NH2-CG 3.27Å; R703-D728 IonicContact NH2-OD1 3.34Å; R703-D728 IonicContact NH2-OD2 2.71Å; R703-D728 PolarHBondContact NH2-OD2 3.3Å; N726-D728 PolarHBondContact O-N 3.25Å
729I87Confident92.3Very high12 Ų1241.9 Ų41.96%0.06221%0.21CC..SBendtrans-66.9138.6177.6-55.3-164000110.1K178 I246 E249 T250 N726K178-I729 PolarHBondContact NZ-O 3.43Å; K178-I729 VanDerWaalsContact NZ-O 3.12Å; I246-I729 HydrophobicContact CG2-CB 4.22Å; I246-I729 HydrophobicContact CG2-CG2 4.27Å; E249-I729 HydrophobicContact CB-CG2 3.87Å; E249-I729 HydrophobicContact CG-CG2 3.92Å; T250-I729 WeakPolarHBondContact OG1-CD1 3.3Å; N726-I729 HydrophobicContact CB-CB 4.44Å; N726-I729 HydrophobicContact CB-CD1 3.74Å; N726-I729 HydrophobicContact CB-CG1 3.93Å; N726-I729 WeakPolarHBondContact O-CB 3.43Å; N726-I729 PolarHBondContact O-N 2.82Å; N726-I729 VanDerWaalsContact O-N 3.11Å
730K87.3Confident92.3Very high168 Ų16841.6 Ų41.673%0.7321%0.207SC*.  trans-67.9151.6177.2-63.8176.2-172.4165.60109.8
731H88Confident92.3Very high76 Ų7643.7 Ų43.735%0.35222%0.217SC..  trans-140142.517648.4-76.4000108.2I246 M736I246-H731 HydrophobicContact CD1-CB 4.26Å; I246-H731 HydrophobicContact CG1-CB 4.17Å; H731-M736 HydrophobicContact CB-CE 3.57Å; H731-M736 HydrophobicContact CB-SD 4.4Å
732D91.8Very high92.2Very high86 Ų8651.6 Ų51.646%0.4625%0.252SS..  trans-106.6114.3175.3-176.8-31.6000107.9D734 L735 M736D732-D734 WeakPolarHBondContact OD1-CA 3.44Å; D732-D734 WeakPolarHBondContact OD1-CB 3.45Å; D732-D734 PolarHBondContact OD1-N 3.47Å; D732-L735 HydrophobicContact CB-CB 3.78Å; D732-L735 PolarHBondContact OD1-N 3.34Å; D732-M736 VanDerWaalsContact O-CG 3.31Å; D732-M736 WeakPolarHBondContact O-CG 3.25Å; D732-M736 PolarHBondContact O-N 3.14Å
733L92.8Very high91.9Very high29 Ų2955.5 Ų55.515%0.15227%0.272CS..Hα-helixtrans-72.9-31.7-177.8-66.6169.4000112K167 F170 E171 I174 V737K167-L733 HydrophobicContact CD-CB 4.47Å; K167-L733 HydrophobicContact CG-CB 4.19Å; F170-L733 HydrophobicContact CB-CD2 3.87Å; E171-L733 HydrophobicContact CG-CD1 3.58Å; E171-L733 HydrophobicContact CG-CD2 4.04Å; E171-L733 HydrophobicContact CG-CG 4.49Å; E171-L733 WeakPolarHBondContact OE1-CD1 3.45Å; I174-L733 HydrophobicContact CD1-CD2 3.86Å; L733-V737 WeakPolarHBondContact O-CB 3.15Å; L733-V737 WeakPolarHBondContact O-CG2 3.49Å; L733-V737 PolarHBondContact O-N 3.31Å
734D93.6Very high91.5Very high75 Ų7559.1 Ų59.140%0.40129%0.286SS..Hα-helixtrans-69.1-42.3175-77.7-86.6000110K167 D732 M736 V737 D738K167-D734 WeakPolarHBondContact CE-OD1 3.37Å; K167-D734 VanDerWaalsContact CE-OD2 3.25Å; K167-D734 WeakPolarHBondContact CE-OD2 3.15Å; K167-D734 IonicContact NZ-OD1 3.53Å; K167-D734 PolarHBondContact NZ-OD1 3.22Å; K167-D734 IonicContact NZ-OD2 2.7Å; K167-D734 PolarHBondContact NZ-OD2 3.45Å; D732-D734 WeakPolarHBondContact OD1-CA 3.44Å; D732-D734 WeakPolarHBondContact OD1-CB 3.45Å; D732-D734 PolarHBondContact OD1-N 3.47Å; D734-M736 PolarHBondContact O-N 3.44Å; D734-V737 PolarHBondContact O-N 2.97Å; D734-D738 WeakPolarHBondContact O-CB 3.49Å; D734-D738 PolarHBondContact O-N 3.03Å
735L93.4Very high90.4Very high86 Ų8661.1 Ų61.145%0.4530%0.3SS..Hα-helixtrans-61.8-42.8173.2-179.261.9000112.6D732 T739D732-L735 HydrophobicContact CB-CB 3.78Å; D732-L735 PolarHBondContact OD1-N 3.34Å; L735-T739 VanDerWaalsContact O-CB 3.24Å; L735-T739 WeakPolarHBondContact O-CB 3.41Å; L735-T739 PolarHBondContact O-N 3.21Å; L735-T739 PolarHBondContact O-OG1 2.8Å
736M94.9Very high88.2Confident0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-64-43.3176.8-75.7176.1176.200111.9F170 I174 I241 C245 I246 H731 D732 D734 Y740F170-M736 HydrophobicContact CD1-CB 4.06Å; F170-M736 HydrophobicContact CD1-SD 4.1Å; F170-M736 HydrophobicContact CD2-CB 4.26Å; F170-M736 HydrophobicContact CE1-CB 3.91Å; F170-M736 HydrophobicContact CE1-CG 4.48Å; F170-M736 HydrophobicContact CE1-SD 4.49Å; F170-M736 HydrophobicContact CE2-CB 4.11Å; F170-M736 HydrophobicContact CG-CB 4.25Å; F170-M736 HydrophobicContact CZ-CB 3.94Å; I174-M736 HydrophobicContact CD1-CE 4.14Å; I174-M736 HydrophobicContact CD1-SD 3.68Å; I241-M736 HydrophobicContact CG2-CB 4.14Å; I241-M736 HydrophobicContact CG2-CG 4.21Å; C245-M736 HydrophobicContact CB-CE 3.67Å; C245-M736 HydrophobicContact CB-CG 3.95Å; I246-M736 HydrophobicContact CD1-CE 4.13Å; I246-M736 HydrophobicContact CG1-CE 4.11Å; H731-M736 HydrophobicContact CB-CE 3.57Å; H731-M736 HydrophobicContact CB-SD 4.4Å; D732-M736 VanDerWaalsContact O-CG 3.31Å; D732-M736 WeakPolarHBondContact O-CG 3.25Å; D732-M736 PolarHBondContact O-N 3.14Å; D734-M736 PolarHBondContact O-N 3.44Å; M736-Y740 WeakPolarHBondContact O-CB 3.49Å; M736-Y740 PolarHBondContact O-N 3.42Å
737V94.9Very high85.9Confident0 Ų073.2 Ų73.20%036%0.362CS..Hα-helixtrans-64.1-45.1176.6166.70000111.7K163 L166 K167 F170 L733 D734 Y740 I741K163-V737 HydrophobicContact CB-CG1 3.94Å; K163-V737 HydrophobicContact CD-CG1 4.24Å; K163-V737 HydrophobicContact CG-CG1 3.81Å; L166-V737 HydrophobicContact CB-CG1 4.16Å; L166-V737 HydrophobicContact CB-CG2 3.7Å; L166-V737 HydrophobicContact CD1-CG1 4.16Å; K167-V737 HydrophobicContact CG-CG2 3.78Å; F170-V737 HydrophobicContact CD2-CG2 3.66Å; F170-V737 HydrophobicContact CE2-CG2 3.91Å; L733-V737 WeakPolarHBondContact O-CB 3.15Å; L733-V737 WeakPolarHBondContact O-CG2 3.49Å; L733-V737 PolarHBondContact O-N 3.31Å; D734-V737 PolarHBondContact O-N 2.97Å; V737-Y740 WeakPolarHBondContact O-CB 3.42Å; V737-Y740 PolarHBondContact O-N 2.98Å; V737-I741 HydrophobicContact CG1-CD1 3.75Å; V737-I741 HydrophobicContact CG1-CG1 4.48Å; V737-I741 WeakPolarHBondContact O-CG1 3.24Å; V737-I741 PolarHBondContact O-N 3.28Å
738D93.3Very high83.1Confident66 Ų6673.5 Ų73.535%0.35338%0.376SS..Hα-helixtrans-71.8-33.2-178.3-74.15000111.8K163 D734 K742K163-D738 WeakPolarHBondContact CE-OD1 3.28Å; K163-D738 IonicContact NZ-OD1 2.75Å; K163-D738 PolarHBondContact NZ-OD1 3.17Å; K163-D738 IonicContact NZ-OD2 2.72Å; K163-D738 PolarHBondContact NZ-OD2 2.71Å; D734-D738 WeakPolarHBondContact O-CB 3.49Å; D734-D738 PolarHBondContact O-N 3.03Å; D738-K742 WeakPolarHBondContact O-CB 3.36Å; D738-K742 PolarHBondContact O-N 3.02Å
739T92.8Very high80.4Confident40 Ų4078.2 Ų78.225%0.24540%0.396CS..Hα-helixtrans-62.5-43.4168.9-58.80000111.3I241 L735 K742 L743I241-T739 HydrophobicContact CD1-CG2 4.12Å; I241-T739 HydrophobicContact CG1-CG2 4.21Å; I241-T739 HydrophobicContact CG2-CG2 4.14Å; L735-T739 VanDerWaalsContact O-CB 3.24Å; L735-T739 WeakPolarHBondContact O-CB 3.41Å; L735-T739 PolarHBondContact O-N 3.21Å; L735-T739 PolarHBondContact O-OG1 2.8Å; T739-K742 PolarHBondContact O-N 3Å; T739-L743 HydrophobicContact CG2-CD1 3.81Å; T739-L743 HydrophobicContact CG2-CG 4.44Å; T739-L743 WeakPolarHBondContact O-CB 3.11Å; T739-L743 WeakPolarHBondContact O-CG 3.32Å; T739-L743 PolarHBondContact O-N 3.14Å
740Y93.9Very high77.5Confident22 Ų2284.5 Ų84.59%0.08643%0.429CS..Hα-helixtrans-64.1-47.2177.6177.5-85.4000112.2L166 F170 Q234 Q237 M238 I241 M736 V737 K742 L743 Y744L166-Y740 HydrophobicContact CD1-CD1 3.9Å; L166-Y740 HydrophobicContact CD1-CE1 4.26Å; L166-Y740 HydrophobicContact CD2-CD1 4.15Å; L166-Y740 HydrophobicContact CD2-CE1 4Å; F170-Y740 HydrophobicContact CZ-CG 4.5Å; Q234-Y740 HydrophobicContact CG-CE2 4.42Å; Q234-Y740 WeakPolarHBondContact CG-OH 3.43Å; Q237-Y740 HydrophobicContact CB-CE2 4.19Å; M238-Y740 HydrophobicContact CG-CD2 3.62Å; M238-Y740 HydrophobicContact CG-CE2 3.58Å; I241-Y740 HydrophobicContact CD1-CD2 4.01Å; I241-Y740 HydrophobicContact CD1-CG 4.31Å; M736-Y740 WeakPolarHBondContact O-CB 3.49Å; M736-Y740 PolarHBondContact O-N 3.42Å; V737-Y740 WeakPolarHBondContact O-CB 3.42Å; V737-Y740 PolarHBondContact O-N 2.98Å; Y740-K742 VanDerWaalsContact C-N 3.34Å; Y740-K742 PolarHBondContact O-N 3.08Å; Y740-L743 PolarHBondContact O-N 3.13Å; Y740-Y744 AromaticContact CD2-CD2 3.78Å; Y740-Y744 HydrophobicContact CD2-CD2 3.78Å; Y740-Y744 AromaticContact CE2-CD2 3.9Å; Y740-Y744 HydrophobicContact CE2-CD2 3.9Å; Y740-Y744 HydrophobicContact CE2-CG 4.41Å; Y740-Y744 PolarHBondContact O-N 3.18Å
741I91.9Very high74.7Confident50 Ų5082.4 Ų82.426%0.25643%0.432SS..Iπ-helixtrans-60.8-46.3178.6-68.2168.1000110K163 L166 V737 L743 T745 S746K163-I741 HydrophobicContact CG-CD1 3.97Å; L166-I741 HydrophobicContact CD1-CD1 4.14Å; L166-I741 HydrophobicContact CD1-CG1 3.94Å; V737-I741 HydrophobicContact CG1-CD1 3.75Å; V737-I741 HydrophobicContact CG1-CG1 4.48Å; V737-I741 WeakPolarHBondContact O-CG1 3.24Å; V737-I741 PolarHBondContact O-N 3.28Å; I741-L743 PolarHBondContact O-N 3.38Å; I741-T745 WeakPolarHBondContact O-CB 3.35Å; I741-T745 PolarHBondContact O-N 3Å; I741-T745 VanDerWaalsContact O-N 3.1Å; I741-S746 PolarHBondContact O-N 3.18Å
742K91.4Very high71.9Confident166 Ų16684.4 Ų84.472%0.72245%0.45SS*.Iπ-helixtrans-61.8-40179.4-175.2174.7-177.3175.30113.4D738 T739 Y740 S746D738-K742 WeakPolarHBondContact O-CB 3.36Å; D738-K742 PolarHBondContact O-N 3.02Å; T739-K742 PolarHBondContact O-N 3Å; Y740-K742 VanDerWaalsContact C-N 3.34Å; Y740-K742 PolarHBondContact O-N 3.08Å; K742-S746 PolarHBondContact O-OG 3.31Å
743L89.4Confident68.9Low83 Ų8387 Ų8744%0.43546%0.464SS..Iπ-helixtrans-84.9-40.2-176.4-70.3176.2000113.9I241 T739 Y740 I741I241-L743 HydrophobicContact CD1-CD1 4.21Å; I241-L743 HydrophobicContact CG1-CD1 4.43Å; T739-L743 HydrophobicContact CG2-CD1 3.81Å; T739-L743 HydrophobicContact CG2-CG 4.44Å; T739-L743 WeakPolarHBondContact O-CB 3.11Å; T739-L743 WeakPolarHBondContact O-CG 3.32Å; T739-L743 PolarHBondContact O-N 3.14Å; Y740-L743 PolarHBondContact O-N 3.13Å; I741-L743 PolarHBondContact O-N 3.38Å
744Y85.4Confident65.8Low76 Ų7692.1 Ų92.130%0.29849%0.491SS..Iπ-helixtrans-115.7-20.4-164.6-66.9-55.9000114.9Q237 E240 I241 Y740Q237-Y744 HydrophobicContact CB-CD2 3.88Å; Q237-Y744 HydrophobicContact CB-CE1 4.45Å; Q237-Y744 HydrophobicContact CB-CE2 3.57Å; Q237-Y744 HydrophobicContact CB-CG 4.41Å; Q237-Y744 HydrophobicContact CG-CD1 4.19Å; Q237-Y744 HydrophobicContact CG-CD2 4.27Å; Q237-Y744 HydrophobicContact CG-CE1 3.86Å; Q237-Y744 HydrophobicContact CG-CE2 3.9Å; Q237-Y744 HydrophobicContact CG-CG 4.39Å; E240-Y744 PolarHBondContact OE2-OH 3.18Å; I241-Y744 HydrophobicContact CD1-CD2 4.03Å; I241-Y744 HydrophobicContact CD1-CE2 3.87Å; I241-Y744 HydrophobicContact CG1-CE2 4.44Å; Y740-Y744 AromaticContact CD2-CD2 3.78Å; Y740-Y744 HydrophobicContact CD2-CD2 3.78Å; Y740-Y744 AromaticContact CE2-CD2 3.9Å; Y740-Y744 HydrophobicContact CE2-CD2 3.9Å; Y740-Y744 HydrophobicContact CE2-CG 4.41Å; Y740-Y744 PolarHBondContact O-N 3.18Å
745T70.7Confident62.8Low71 Ų7193.1 Ų93.144%0.43650%0.504SS..Iπ-helixtrans-91.7-35.6176.9-44.90000112I741 K747 S748I741-T745 WeakPolarHBondContact O-CB 3.35Å; I741-T745 PolarHBondContact O-N 3Å; I741-T745 VanDerWaalsContact O-N 3.1Å; T745-K747 PolarHBondContact O-N 2.98Å; T745-S748 PolarHBondContact O-N 2.95Å
746S49.3Very low59.7Low80 Ų8097.5 Ų97.556%0.55952%0.522SS*.THydrogen-bonded Turntrans-61.9-21.317961.40000115.5I741 K742I741-S746 PolarHBondContact O-N 3.18Å; K742-S746 PolarHBondContact O-OG 3.31Å
747K43.7Very low56.5Low174 Ų174103.5 Ų103.576%0.75756%0.559SS**THydrogen-bonded Turntrans-95.24.2-177.1-71.1-177.6175.3177.50114.5T745T745-K747 PolarHBondContact O-N 2.98Å
748S31.4Very low53.4Low102 Ų102109.7 Ų109.771%0.71360%0.597SS**SBendtrans-84.1-7.9-175.4-165.90000114.7T745T745-S748 PolarHBondContact O-N 2.95Å
749E31.6Very low50.3Low180 Ų180115 Ų11584%0.84162%0.619SS**SBendtrans-121.770.2-175-65-166.7165.700112.3
750L25.6Very low47.2Very low145 Ų145120.3 Ų120.376%0.75965%0.646SS**  trans-165.8102.5160-111.1167.9000110.8T752L750-T752 PolarHBondContact O-N 2.61Å
751P29.3Very low44.2Very low123 Ų123129.7 Ų129.780%0.79971%0.706SS**  trans-74.1109.2168.5-6.823.8000109D753P751-D753 PolarHBondContact O-N 2.76Å; P751-D753 VanDerWaalsContact O-N 3.17Å
752T27.9Very low41.9Very low118 Ų118133.7 Ų133.772%0.72473%0.729SS**  trans-8190.8173.7380000109.9L750 N754L750-T752 PolarHBondContact O-N 2.61Å; T752-N754 PolarHBondContact O-N 2.93Å
753D29.6Very low39.2Very low142 Ų142131.9 Ų131.976%0.75973%0.729SS**  trans-7759.7179.8-162.29.3000112.2P751 S755P751-D753 PolarHBondContact O-N 2.76Å; P751-D753 VanDerWaalsContact O-N 3.17Å; D753-S755 PolarHBondContact O-N 3.29Å
754N28.3Very low36.5Very low136 Ų136134.7 Ų134.773%0.72775%0.745SS**  trans-88.681.4176.5-8419.2000110.5T752 E756T752-N754 PolarHBondContact O-N 2.93Å; N754-E756 PolarHBondContact O-N 3Å
755S29.6Very low33.6Very low96 Ų96138.1 Ų138.167%0.67177%0.772SS**  trans-82.179.9167.239.30000110.8D753 T757D753-S755 PolarHBondContact O-N 3.29Å; S755-T757 PolarHBondContact O-N 2.89Å; S755-T757 VanDerWaalsContact O-N 3.16Å
756E28.6Very low31.3Very low177 Ų177142.3 Ų142.383%0.82779%0.793SS**  trans-63.4115.3173.1-72.8-168153.500110.9N754 V758N754-E756 PolarHBondContact O-N 3Å; E756-V758 PolarHBondContact O-N 3.21Å
757T28.4Very low30.1Very low127 Ų127146.5 Ų146.578%0.77981%0.808SS**  trans-82.2108.9176.731.20000109.8S755 E759S755-T757 PolarHBondContact O-N 2.89Å; S755-T757 VanDerWaalsContact O-N 3.16Å; T757-E759 PolarHBondContact O-N 2.74Å
758V29.5Very low29.1Very low129 Ų129144.5 Ų144.578%0.78281%0.812SS**  trans-74.691.3171.3-177.50000109.2E756E756-V758 PolarHBondContact O-N 3.21Å
759E27.2Very low28.9Very low178 Ų178147.8 Ų147.883%0.83282%0.819SS**  trans-79.2139.9163.6-69.6-158.4130.100110.7T757T757-E759 PolarHBondContact O-N 2.74Å
760N29.4Very low28.7Very low151 Ų151145.1 Ų145.181%0.80782%0.818SS**  trans-93.2121.9-179.3-64.9-87.3000111.1
761T30.9Very low29Very low219 Ų219145.1 Ų145.1100%1.34482%0.823SS**  trans-154.30146.533.40000110.2

Retrieved 761 of 761 residues in 165 ms (Link to these results)

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