G4VTD0_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession G4VTD0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 257 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
1M56.1Low79.4Confident202 Ų20283.6 Ų83.6100%0.99547%0.47SS*.  0139.20-70.4-160.1162.700108.5N3M1-N3 PolarHBondContact O-N 2.84Å
2P61.5Low78.7Confident71 Ų7178.2 Ų78.246%0.46144%0.437SS..  trans-53.7125.7171.322.9-32.1000108.6F28P2-F28 HydrophobicContact CB-CB 3.89Å; P2-F28 HydrophobicContact CB-CG 4.36Å; P2-F28 HydrophobicContact CG-CB 3.49Å; P2-F28 VanDerWaalsContact CG-CB 3.49Å; P2-F28 HydrophobicContact CG-CD2 3.94Å; P2-F28 HydrophobicContact CG-CG 3.86Å
3N70.8Confident78Confident92 Ų9282.2 Ų82.249%0.49247%0.465SS..  trans-105.617.7-174.364.8-15.3000111.6M1 K11 F12M1-N3 PolarHBondContact O-N 2.84Å; N3-K11 CarbonylContact O-C 3.53Å; N3-K11 WeakPolarHBondContact O-CA 3.36Å; N3-F12 WeakPolarHBondContact CB-O 3.11Å; N3-F12 PolarHBondContact O-N 3.27Å
4T85.7Confident77.5Confident61 Ų6187.7 Ų87.737%0.37448%0.482SS..BIsolated β-bridgetrans-136.8138.8-178.357.90000110.1K11T4-K11 HydrophobicContact CG2-CD 4.32Å; T4-K11 HydrophobicContact CG2-CG 3.97Å
5C88.4Confident76.8Confident10 Ų1088.7 Ų88.77%0.06849%0.494CS..  trans-73.8132.9173.3-179.90000110.2A7 C8 K10 F12 C30C5-A7 PolarHBondContact O-N 3.18Å; C5-A7 PolarHBondContact SG-N 2.95Å; C5-A7 VanDerWaalsContact SG-N 3.45Å; C5-C8 WeakPolarHBondContact CB-O 3.03Å; C5-C8 VanDerWaalsContact CB-SG 3.54Å; C5-K10 PolarHBondContact N-O 3.37Å; C5-K10 VanDerWaalsContact N-O 3.08Å; C5-F12 HydrophobicContact CB-CE2 3.99Å; C5-F12 HydrophobicContact CB-CZ 4.38Å; C5-C30 HydrophobicContact CB-CB 4.21Å; C5-C30 PolarHBondContact SG-N 3.44Å
6S87.8Confident76.5Confident57 Ų5787.9 Ų87.940%0.39949%0.486SS..SBendtrans-74.6-8.4178.8-57.70000113.4E27 F28S6-E27 PolarHBondContact OG-OE2 3.37Å; S6-F28 PolarHBondContact N-O 2.8Å; S6-F28 PolarHBondContact OG-O 2.98Å
7A85.2Confident76.5Confident42 Ų4291.1 Ų91.135%0.34751%0.508SS..SBendtrans-104.4-30.2175.300000114.5C5 Y29 C33C5-A7 PolarHBondContact O-N 3.18Å; C5-A7 PolarHBondContact SG-N 2.95Å; C5-A7 VanDerWaalsContact SG-N 3.45Å; A7-Y29 HydrophobicContact CB-CD1 3.79Å; A7-Y29 HydrophobicContact CB-CE1 3.76Å; A7-C33 HydrophobicContact CB-CB 3.83Å
8C86.5Confident76.6Confident33 Ų3387.3 Ų87.322%0.22349%0.493CS..SBendtrans-135.8159.5-172.578.70000111.3C5 K10C5-C8 WeakPolarHBondContact CB-O 3.03Å; C5-C8 VanDerWaalsContact CB-SG 3.54Å; C8-K10 PolarHBondContact O-N 3.16Å; C8-K10 VanDerWaalsContact SG-CB 3.51Å
9P86.4Confident77.1Confident130 Ų13083.7 Ų83.784%0.84447%0.474SS*.SBendtrans-71.74-176.329.9-35.5000114.2K11P9-K11 PolarHBondContact O-N 3.02Å
10K83.6Confident77.7Confident62 Ų6280 Ų8027%0.2746%0.455SS..  trans-63.3127-178.1-166.7172.5-179.4-173.90110C5 C8 F12 E16 C30C5-K10 PolarHBondContact N-O 3.37Å; C5-K10 VanDerWaalsContact N-O 3.08Å; C8-K10 PolarHBondContact O-N 3.16Å; C8-K10 VanDerWaalsContact SG-CB 3.51Å; K10-F12 HydrophobicContact CB-CE2 4.45Å; K10-F12 HydrophobicContact CB-CZ 3.93Å; K10-F12 HydrophobicContact CD-CE1 3.64Å; K10-F12 HydrophobicContact CD-CZ 3.64Å; K10-F12 HydrophobicContact CG-CE1 3.83Å; K10-F12 HydrophobicContact CG-CE2 4.38Å; K10-F12 HydrophobicContact CG-CZ 3.57Å; K10-F12 WeakPolarHBondContact O-CE2 3.46Å; K10-E16 VanDerWaalsContact CE-OE1 3.29Å; K10-E16 WeakPolarHBondContact CE-OE1 3.37Å; K10-E16 IonicContact NZ-OE1 2.78Å; K10-E16 PolarHBondContact NZ-OE1 3.36Å; K10-E16 IonicContact NZ-OE2 2.67Å; K10-E16 PolarHBondContact NZ-OE2 2.87Å; K10-C30 HydrophobicContact CD-CB 4.34Å
11K80.8Confident78.3Confident160 Ų16080.2 Ų80.270%0.69645%0.454SS*.BIsolated β-bridgetrans-106.2141172.6-54.5-166175.7176.90109.6N3 T4 P9N3-K11 CarbonylContact O-C 3.53Å; N3-K11 WeakPolarHBondContact O-CA 3.36Å; T4-K11 HydrophobicContact CG2-CD 4.32Å; T4-K11 HydrophobicContact CG2-CG 3.97Å; P9-K11 PolarHBondContact O-N 3.02Å
12F71.5Confident79.8Confident18 Ų1870.6 Ų70.68%0.07941%0.407CS..  trans-107.6125.5-177.9-56.5-79.3000109.7N3 C5 K10 E16 F28 C30N3-F12 WeakPolarHBondContact CB-O 3.11Å; N3-F12 PolarHBondContact O-N 3.27Å; C5-F12 HydrophobicContact CB-CE2 3.99Å; C5-F12 HydrophobicContact CB-CZ 4.38Å; K10-F12 HydrophobicContact CB-CE2 4.45Å; K10-F12 HydrophobicContact CB-CZ 3.93Å; K10-F12 HydrophobicContact CD-CE1 3.64Å; K10-F12 HydrophobicContact CD-CZ 3.64Å; K10-F12 HydrophobicContact CG-CE1 3.83Å; K10-F12 HydrophobicContact CG-CE2 4.38Å; K10-F12 HydrophobicContact CG-CZ 3.57Å; K10-F12 WeakPolarHBondContact O-CE2 3.46Å; F12-E16 HydrophobicContact CD1-CG 4.27Å; F12-E16 HydrophobicContact CE1-CG 4.49Å; F12-F28 HydrophobicContact CD2-CD1 4.35Å; F12-F28 AromaticContact CD2-CE1 3.62Å; F12-F28 HydrophobicContact CD2-CE1 3.62Å; F12-F28 HydrophobicContact CE2-CD1 4.38Å; F12-F28 AromaticContact CE2-CE1 3.82Å; F12-F28 HydrophobicContact CE2-CE1 3.82Å; F12-F28 HydrophobicContact CG-CE1 4.31Å; F12-C30 HydrophobicContact CE1-CB 3.9Å; F12-C30 HydrophobicContact CE2-CB 4.1Å; F12-C30 HydrophobicContact CZ-CB 3.23Å
13T70.3Confident81.1Confident131 Ų13173.4 Ų73.480%0.80441%0.414SS*.SBendtrans-84.5-29.7164.447.40000110.8
14F70.2Confident81.7Confident159 Ų15970 Ų7070%0.69740%0.397SS*.SBendtrans-138.2149.3177.7-60-78.7000110.8E16F14-E16 PolarHBondContact O-N 3.24Å
15P66.9Low81.6Confident103 Ų10367.3 Ų67.367%0.66938%0.381SS*.PPolyproline II helixtrans-62.8117.3174.6-15.228.1000110.3
16E72.9Confident81.5Confident76 Ų7672.5 Ų72.536%0.35541%0.408SS..PPolyproline II helixtrans-79.3144.5172.3-68.4176.316900109.6K10 F12 F14 G18 S19K10-E16 VanDerWaalsContact CE-OE1 3.29Å; K10-E16 WeakPolarHBondContact CE-OE1 3.37Å; K10-E16 IonicContact NZ-OE1 2.78Å; K10-E16 PolarHBondContact NZ-OE1 3.36Å; K10-E16 IonicContact NZ-OE2 2.67Å; K10-E16 PolarHBondContact NZ-OE2 2.87Å; F12-E16 HydrophobicContact CD1-CG 4.27Å; F12-E16 HydrophobicContact CE1-CG 4.49Å; F14-E16 PolarHBondContact O-N 3.24Å; E16-G18 PolarHBondContact O-N 3.28Å; E16-G18 VanDerWaalsContact O-N 3.16Å; E16-S19 PolarHBondContact N-OG 3.22Å; E16-S19 WeakPolarHBondContact O-CB 3.38Å; E16-S19 PolarHBondContact O-N 2.76Å; E16-S19 PolarHBondContact O-OG 3.23Å
17T76.2Confident81.3Confident142 Ų14273.8 Ų73.887%0.87141%0.408SS*.THydrogen-bonded Turntrans-56.1121.3171.648.20000109.8
18G77.4Confident81.5Confident23 Ų2372.7 Ų72.724%0.23740%0.395CS..THydrogen-bonded Turntrans96.6-4-17800000115.8E16 S31E16-G18 PolarHBondContact O-N 3.28Å; E16-G18 VanDerWaalsContact O-N 3.16Å; G18-S31 WeakPolarHBondContact O-CA 3.47Å
19S87.3Confident81.7Confident18 Ų1871.6 Ų71.613%0.12639%0.386CS..  trans-87.7152.4168.166.30000111.5E16 Y29E16-S19 PolarHBondContact N-OG 3.22Å; E16-S19 WeakPolarHBondContact O-CB 3.38Å; E16-S19 PolarHBondContact O-N 2.76Å; E16-S19 PolarHBondContact O-OG 3.23Å; S19-Y29 WeakPolarHBondContact CA-O 3.21Å; S19-Y29 WeakPolarHBondContact CB-O 3.4Å
20G88.7Confident81.9Confident9 Ų965.4 Ų65.49%0.09335%0.346CS..EExtended strand (participates in β ladder)trans164.9-169.3175.600000114.6F28 Y29G20-F28 WeakPolarHBondContact O-CA 3.05Å; G20-Y29 PolarHBondContact N-O 3.21Å; G20-Y29 PolarHBondContact O-N 2.94Å
21I89.4Confident82.2Confident85 Ų8564.7 Ų64.744%0.43635%0.349SS..EExtended strand (participates in β ladder)trans-85.9126-175.3-60.4174.8000109.4Q23 N26 E27 F28 I42I21-Q23 PolarHBondContact O-N 2.73Å; I21-N26 VanDerWaalsContact CG2-OD1 3.27Å; I21-N26 WeakPolarHBondContact CG2-OD1 3.47Å; I21-E27 WeakPolarHBondContact CA-O 3.37Å; I21-F28 HydrophobicContact CG1-CD2 4.25Å; I21-I42 WeakPolarHBondContact O-CB 3.06Å
22C88.1Confident82.7Confident0 Ų063.7 Ų63.70%035%0.347CS..  trans-66.1125.3174.2177.20000110.3S24 C25 N26 E27 Y29 I42 C44C22-S24 PolarHBondContact O-N 3.05Å; C22-S24 VanDerWaalsContact O-N 3.17Å; C22-C25 WeakPolarHBondContact CB-SG 3.14Å; C22-C25 PolarHBondContact SG-SG 2.83Å; C22-N26 WeakPolarHBondContact O-CA 3.44Å; C22-N26 PolarHBondContact O-N 2.72Å; C22-E27 PolarHBondContact N-O 3.4Å; C22-Y29 HydrophobicContact CB-CD2 3.77Å; C22-Y29 HydrophobicContact CB-CE2 3.66Å; C22-I42 CarbonylContact C-O 3.51Å; C22-I42 VanDerWaalsContact CA-O 3.25Å; C22-I42 WeakPolarHBondContact CA-O 3.25Å; C22-C44 HydrophobicContact CB-CB 4.04Å; C22-C44 PolarHBondContact SG-N 3.36Å
23Q88.5Confident83.6Confident130 Ų13063.7 Ų63.761%0.60735%0.349SS*.THydrogen-bonded Turntrans-59.1-30.9-178.8-175.1178.36.900113.1I21 I42 L43I21-Q23 PolarHBondContact O-N 2.73Å; Q23-I42 PolarHBondContact N-O 2.7Å; Q23-L43 HydrophobicContact CB-CD2 4.29Å
24S83.8Confident84.6Confident21 Ų2157.6 Ų57.615%0.14731%0.312CS..THydrogen-bonded Turntrans-81.6-50.5-175.2-660000114.3C22 L43 C47 E51 R74C22-S24 PolarHBondContact O-N 3.05Å; C22-S24 VanDerWaalsContact O-N 3.17Å; S24-L43 WeakPolarHBondContact OG-CD2 3.07Å; S24-C47 VanDerWaalsContact CB-CB 3.42Å; S24-C47 WeakPolarHBondContact CB-SG 3.49Å; S24-E51 VanDerWaalsContact CB-OE1 3.24Å; S24-E51 WeakPolarHBondContact CB-OE1 3.39Å; S24-E51 WeakPolarHBondContact CB-OE2 3.14Å; S24-E51 VanDerWaalsContact OG-CD 3.29Å; S24-E51 PolarHBondContact OG-OE2 3.32Å; S24-R74 PolarHBondContact O-NH2 2.8Å
25C83.9Confident85.5Confident5 Ų552.3 Ų52.33%0.03429%0.294CS..THydrogen-bonded Turntrans-102.3-8.2-175.564.20000114.2C22 E27 Y29 W70C22-C25 WeakPolarHBondContact CB-SG 3.14Å; C22-C25 PolarHBondContact SG-SG 2.83Å; C25-E27 PolarHBondContact O-N 3.39Å; C25-Y29 WeakPolarHBondContact SG-CE2 3.46Å; C25-Y29 PolarHBondContact SG-OH 3.34Å; C25-Y29 VanDerWaalsContact SG-OH 3.38Å; C25-W70 HydrophobicContact CB-CH2 3.39Å; C25-W70 HydrophobicContact CB-CZ2 3.64Å
26N86Confident86.5Confident118 Ų11852 Ų5263%0.63129%0.286SS*.  trans59.524.1-179.7-152.735.9000114.6I21 C22I21-N26 VanDerWaalsContact CG2-OD1 3.27Å; I21-N26 WeakPolarHBondContact CG2-OD1 3.47Å; C22-N26 WeakPolarHBondContact O-CA 3.44Å; C22-N26 PolarHBondContact O-N 2.72Å
27E84.8Confident87.1Confident84 Ų8449.6 Ų49.639%0.39328%0.281SS..  trans-103.6153.4177.3-72.2-67.5155.300111S6 I21 C22 C25 Y29S6-E27 PolarHBondContact OG-OE2 3.37Å; I21-E27 WeakPolarHBondContact CA-O 3.37Å; C22-E27 PolarHBondContact N-O 3.4Å; C25-E27 PolarHBondContact O-N 3.39Å; E27-Y29 HydrophobicContact CB-CD2 4.44Å; E27-Y29 HydrophobicContact CB-CE2 3.53Å; E27-Y29 WeakPolarHBondContact O-CD2 3.39Å; E27-Y29 VanDerWaalsContact O-CE2 3.26Å; E27-Y29 WeakPolarHBondContact O-CE2 3.33Å
28F89Confident87.3Confident19 Ų1949.8 Ų49.88%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-86.6134.2-179.2-172.2-85.9000112.3P2 S6 F12 G20 I21P2-F28 HydrophobicContact CB-CB 3.89Å; P2-F28 HydrophobicContact CB-CG 4.36Å; P2-F28 HydrophobicContact CG-CB 3.49Å; P2-F28 VanDerWaalsContact CG-CB 3.49Å; P2-F28 HydrophobicContact CG-CD2 3.94Å; P2-F28 HydrophobicContact CG-CG 3.86Å; S6-F28 PolarHBondContact N-O 2.8Å; S6-F28 PolarHBondContact OG-O 2.98Å; F12-F28 HydrophobicContact CD2-CD1 4.35Å; F12-F28 AromaticContact CD2-CE1 3.62Å; F12-F28 HydrophobicContact CD2-CE1 3.62Å; F12-F28 HydrophobicContact CE2-CD1 4.38Å; F12-F28 AromaticContact CE2-CE1 3.82Å; F12-F28 HydrophobicContact CE2-CE1 3.82Å; F12-F28 HydrophobicContact CG-CE1 4.31Å; G20-F28 WeakPolarHBondContact O-CA 3.05Å; I21-F28 HydrophobicContact CG1-CD2 4.25Å
29Y90.3Very high87.7Confident10 Ų1053.5 Ų53.54%0.03930%0.299CS..EExtended strand (participates in β ladder)trans-131.9150.4179.5-63.7-91.7000111.8A7 S19 G20 C22 C25 E27 C33 C44A7-Y29 HydrophobicContact CB-CD1 3.79Å; A7-Y29 HydrophobicContact CB-CE1 3.76Å; S19-Y29 WeakPolarHBondContact CA-O 3.21Å; S19-Y29 WeakPolarHBondContact CB-O 3.4Å; G20-Y29 PolarHBondContact N-O 3.21Å; G20-Y29 PolarHBondContact O-N 2.94Å; C22-Y29 HydrophobicContact CB-CD2 3.77Å; C22-Y29 HydrophobicContact CB-CE2 3.66Å; C25-Y29 WeakPolarHBondContact SG-CE2 3.46Å; C25-Y29 PolarHBondContact SG-OH 3.34Å; C25-Y29 VanDerWaalsContact SG-OH 3.38Å; E27-Y29 HydrophobicContact CB-CD2 4.44Å; E27-Y29 HydrophobicContact CB-CE2 3.53Å; E27-Y29 WeakPolarHBondContact O-CD2 3.39Å; E27-Y29 VanDerWaalsContact O-CE2 3.26Å; E27-Y29 WeakPolarHBondContact O-CE2 3.33Å; Y29-C33 HydrophobicContact CD1-CB 4.01Å; Y29-C44 HydrophobicContact CD1-CB 3.71Å; Y29-C44 HydrophobicContact CD2-CB 3.44Å; Y29-C44 VanDerWaalsContact CD2-CB 3.44Å; Y29-C44 HydrophobicContact CE1-CB 3.62Å; Y29-C44 HydrophobicContact CE2-CB 3.33Å; Y29-C44 HydrophobicContact CG-CB 3.62Å; Y29-C44 VanDerWaalsContact CZ-CB 3.42Å
30C91Very high87.5Confident0 Ų063 Ų630%033%0.333CS..  trans-75.3162.4172.178.20000111.3C5 K10 F12 E32 C33 S34C5-C30 HydrophobicContact CB-CB 4.21Å; C5-C30 PolarHBondContact SG-N 3.44Å; K10-C30 HydrophobicContact CD-CB 4.34Å; F12-C30 HydrophobicContact CE1-CB 3.9Å; F12-C30 HydrophobicContact CE2-CB 4.1Å; F12-C30 HydrophobicContact CZ-CB 3.23Å; C30-E32 PolarHBondContact O-N 3.48Å; C30-E32 PolarHBondContact SG-N 3.2Å; C30-C33 CarbonylContact O-C 3.59Å; C30-C33 PolarHBondContact O-N 3.08Å; C30-C33 PolarHBondContact SG-N 3.31Å; C30-C33 PolarHBondContact SG-SG 3.11Å; C30-S34 PolarHBondContact O-N 3.2Å; C30-S34 PolarHBondContact O-OG 3.19Å
31S90.2Very high87.5Confident48 Ų4864 Ų6434%0.33634%0.337SS..THydrogen-bonded Turntrans-57-21.4177.150.90000114.7G18 S34G18-S31 WeakPolarHBondContact O-CA 3.47Å; S31-S34 VanDerWaalsContact O-O 3.07Å
32E90.2Very high87.4Confident139 Ų13961.4 Ų61.465%0.6532%0.324SS*.THydrogen-bonded Turntrans-85.6-25.6174.3-61.9166.6-162.500113C30 N45C30-E32 PolarHBondContact O-N 3.48Å; C30-E32 PolarHBondContact SG-N 3.2Å; E32-N45 PolarHBondContact O-ND2 2.61Å
33C90.8Very high87.5Confident18 Ų1863.7 Ų63.712%0.12234%0.336CS..THydrogen-bonded Turntrans-100.8-4.9-177-68.40000113.3A7 Y29 C30 C44 N45A7-C33 HydrophobicContact CB-CB 3.83Å; Y29-C33 HydrophobicContact CD1-CB 4.01Å; C30-C33 CarbonylContact O-C 3.59Å; C30-C33 PolarHBondContact O-N 3.08Å; C30-C33 PolarHBondContact SG-N 3.31Å; C30-C33 PolarHBondContact SG-SG 3.11Å; C33-C44 WeakPolarHBondContact O-CA 3.45Å; C33-N45 PolarHBondContact O-N 3.22Å; C33-N45 PolarHBondContact O-ND2 2.66Å
34S91Very high87.6Confident3 Ų357.5 Ų57.52%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-132.3168.1173.455.20000112C30 S31 L43C30-S34 PolarHBondContact O-N 3.2Å; C30-S34 PolarHBondContact O-OG 3.19Å; S31-S34 VanDerWaalsContact O-O 3.07Å; S34-L43 CarbonylContact C-O 3.57Å; S34-L43 VanDerWaalsContact CA-O 3.25Å; S34-L43 WeakPolarHBondContact CA-O 3.46Å; S34-L43 WeakPolarHBondContact CB-O 3.4Å
35S89.4Confident87.8Confident48 Ų4859.2 Ų59.234%0.33631%0.314SS..EExtended strand (participates in β ladder)trans-136.2150.4171.5-58.10000109.8L43 R48S35-L43 PolarHBondContact N-O 2.75Å; S35-L43 PolarHBondContact O-N 2.97Å; S35-R48 VanDerWaalsContact CB-NH1 3.33Å; S35-R48 PolarHBondContact OG-NH1 3.4Å
36I88.4Confident88Confident97 Ų9759.4 Ų59.450%0.49731%0.314SS..EExtended strand (participates in β ladder)trans-94.2122.4178.6-61.7164.5000108.1T41 I42I36-T41 CarbonylContact C-O 3.53Å; I36-T41 VanDerWaalsContact CA-O 3.3Å; I36-T41 WeakPolarHBondContact CA-O 3.26Å; I36-I42 HydrophobicContact CG1-CG1 4.13Å
37G83.8Confident88Confident24 Ų2454 Ų5425%0.24729%0.285CS..  trans-71.1170.5172.900000112.9D39 R40 T41G37-D39 PolarHBondContact O-N 3.48Å; G37-R40 PolarHBondContact O-N 3.38Å; G37-T41 PolarHBondContact N-O 2.81Å
38P81.6Confident88.1Confident147 Ų14755.1 Ų55.196%0.95529%0.286SS*.THydrogen-bonded Turntrans-61.9-25.5-179.926.3-34.7000113.4R40P38-R40 VanDerWaalsContact C-N 3.28Å; P38-R40 PolarHBondContact O-N 3.38Å
39D85.2Confident87.9Confident100 Ų10055.5 Ų55.554%0.53529%0.29SS..THydrogen-bonded Turntrans-8710.4176.161.7-10.9000113.5G37 T41G37-D39 PolarHBondContact O-N 3.48Å; D39-T41 HydrophobicContact CB-CG2 4.39Å; D39-T41 VanDerWaalsContact CG-OG1 3.28Å; D39-T41 PolarHBondContact O-N 2.81Å; D39-T41 WeakPolarHBondContact OD1-CB 3.34Å; D39-T41 WeakPolarHBondContact OD1-CG2 3.26Å; D39-T41 PolarHBondContact OD1-N 3.14Å; D39-T41 VanDerWaalsContact OD1-N 3.12Å; D39-T41 PolarHBondContact OD1-OG1 3.09Å; D39-T41 WeakPolarHBondContact OD2-CG2 3.3Å; D39-T41 PolarHBondContact OD2-OG1 3.3Å
40R83.8Confident87.3Confident219 Ų21955.2 Ų55.283%0.82629%0.289SS*.SBendtrans65.213.3-175-50.9178.6177.6-136.9-1.4114.3G37 P38G37-R40 PolarHBondContact O-N 3.38Å; P38-R40 VanDerWaalsContact C-N 3.28Å; P38-R40 PolarHBondContact O-N 3.38Å
41T88.3Confident86.5Confident30 Ų3059.5 Ų59.518%0.18431%0.309CS..  trans-74.7145.4172.962.60000110.4I36 G37 D39I36-T41 CarbonylContact C-O 3.53Å; I36-T41 VanDerWaalsContact CA-O 3.3Å; I36-T41 WeakPolarHBondContact CA-O 3.26Å; G37-T41 PolarHBondContact N-O 2.81Å; D39-T41 HydrophobicContact CB-CG2 4.39Å; D39-T41 VanDerWaalsContact CG-OG1 3.28Å; D39-T41 PolarHBondContact O-N 2.81Å; D39-T41 WeakPolarHBondContact OD1-CB 3.34Å; D39-T41 WeakPolarHBondContact OD1-CG2 3.26Å; D39-T41 PolarHBondContact OD1-N 3.14Å; D39-T41 VanDerWaalsContact OD1-N 3.12Å; D39-T41 PolarHBondContact OD1-OG1 3.09Å; D39-T41 WeakPolarHBondContact OD2-CG2 3.3Å; D39-T41 PolarHBondContact OD2-OG1 3.3Å
42I88.4Confident85.4Confident30 Ų3059.5 Ų59.515%0.15431%0.309CS..EExtended strand (participates in β ladder)trans-100.2127.4178.1-63.9174.4000107.5I21 C22 Q23 I36I21-I42 WeakPolarHBondContact O-CB 3.06Å; C22-I42 CarbonylContact C-O 3.51Å; C22-I42 VanDerWaalsContact CA-O 3.25Å; C22-I42 WeakPolarHBondContact CA-O 3.25Å; Q23-I42 PolarHBondContact N-O 2.7Å; I36-I42 HydrophobicContact CG1-CG1 4.13Å
43L90.1Very high84Confident48 Ų4861 Ų6125%0.25132%0.322SS..EExtended strand (participates in β ladder)trans-122129171.6-68.1175.4000109.1Q23 S24 S34 S35 R48Q23-L43 HydrophobicContact CB-CD2 4.29Å; S24-L43 WeakPolarHBondContact OG-CD2 3.07Å; S34-L43 CarbonylContact C-O 3.57Å; S34-L43 VanDerWaalsContact CA-O 3.25Å; S34-L43 WeakPolarHBondContact CA-O 3.46Å; S34-L43 WeakPolarHBondContact CB-O 3.4Å; S35-L43 PolarHBondContact N-O 2.75Å; S35-L43 PolarHBondContact O-N 2.97Å; L43-R48 HydrophobicContact CB-CB 4.46Å
44C90Very high82.8Confident0 Ų067.4 Ų67.40%035%0.35CS..EExtended strand (participates in β ladder)trans-67.7151.8170.476.10000109.9C22 Y29 C33 R46 C47 R48C22-C44 HydrophobicContact CB-CB 4.04Å; C22-C44 PolarHBondContact SG-N 3.36Å; Y29-C44 HydrophobicContact CD1-CB 3.71Å; Y29-C44 HydrophobicContact CD2-CB 3.44Å; Y29-C44 VanDerWaalsContact CD2-CB 3.44Å; Y29-C44 HydrophobicContact CE1-CB 3.62Å; Y29-C44 HydrophobicContact CE2-CB 3.33Å; Y29-C44 HydrophobicContact CG-CB 3.62Å; Y29-C44 VanDerWaalsContact CZ-CB 3.42Å; C33-C44 WeakPolarHBondContact O-CA 3.45Å; C44-R46 PolarHBondContact O-N 3.18Å; C44-C47 PolarHBondContact O-N 2.89Å; C44-C47 PolarHBondContact SG-N 3.42Å; C44-C47 VanDerWaalsContact SG-SG 3.66Å; C44-R48 WeakPolarHBondContact O-CB 3.46Å; C44-R48 PolarHBondContact O-N 2.94Å
45N87.3Confident82.1Confident57 Ų5767.5 Ų67.531%0.30535%0.351SS..Hα-helixtrans-51.2-34.2-178.1-73-30.7000112.5E32 C33 R48 V49E32-N45 PolarHBondContact O-ND2 2.61Å; C33-N45 PolarHBondContact O-N 3.22Å; C33-N45 PolarHBondContact O-ND2 2.66Å; N45-R48 PolarHBondContact OD1-NH1 2.87Å; N45-R48 PolarHBondContact OD1-NH2 3.43Å; N45-V49 WeakPolarHBondContact O-CG2 3.38Å; N45-V49 PolarHBondContact O-N 3.24Å
46R87.6Confident81.9Confident9 Ų968.4 Ų68.43%0.03435%0.352CS..Hα-helixtrans-73.8-49.8-179178.2166.6173.1-84.6-39.6114.1C44 R48 V49 L50 D67C44-R46 PolarHBondContact O-N 3.18Å; R46-R48 PolarHBondContact O-N 3.46Å; R46-V49 PolarHBondContact O-N 2.91Å; R46-L50 HydrophobicContact CG-CD1 3.5Å; R46-L50 WeakPolarHBondContact O-CB 3.25Å; R46-L50 WeakPolarHBondContact O-CD1 3.49Å; R46-L50 WeakPolarHBondContact O-CG 3.36Å; R46-L50 PolarHBondContact O-N 3.32Å; R46-D67 VanDerWaalsContact CD-CB 3.45Å; R46-D67 WeakPolarHBondContact CD-OD1 3.47Å; R46-D67 HydrophobicContact CG-CB 4.33Å; R46-D67 VanDerWaalsContact CZ-O 3.28Å; R46-D67 VanDerWaalsContact NE-C 3.35Å; R46-D67 VanDerWaalsContact NE-CA 3.35Å; R46-D67 PolarHBondContact NE-O 2.89Å; R46-D67 IonicContact NE-OD1 3.97Å; R46-D67 PolarHBondContact NH2-O 3.43Å
47C87.2Confident81.8Confident4 Ų466.8 Ų66.83%0.02734%0.339CS..Hα-helixtrans-64.3-34.7174.3-760000110.8S24 C44 V49 L50 E51S24-C47 VanDerWaalsContact CB-CB 3.42Å; S24-C47 WeakPolarHBondContact CB-SG 3.49Å; C44-C47 PolarHBondContact O-N 2.89Å; C44-C47 PolarHBondContact SG-N 3.42Å; C44-C47 VanDerWaalsContact SG-SG 3.66Å; C47-V49 VanDerWaalsContact C-N 3.27Å; C47-V49 PolarHBondContact O-N 2.94Å; C47-L50 PolarHBondContact O-N 3.49Å; C47-E51 WeakPolarHBondContact O-CA 3.17Å; C47-E51 VanDerWaalsContact O-CB 3.24Å; C47-E51 WeakPolarHBondContact O-CB 3.39Å; C47-E51 PolarHBondContact O-N 2.95Å
48R86.6Confident81.9Confident107 Ų10771.1 Ų71.140%0.40436%0.357SS..Hα-helixtrans-57.3-39.8172.5-173.7178.866.2-144.5-6.1112.6S35 L43 C44 N45 R46 S52S35-R48 VanDerWaalsContact CB-NH1 3.33Å; S35-R48 PolarHBondContact OG-NH1 3.4Å; L43-R48 HydrophobicContact CB-CB 4.46Å; C44-R48 WeakPolarHBondContact O-CB 3.46Å; C44-R48 PolarHBondContact O-N 2.94Å; N45-R48 PolarHBondContact OD1-NH1 2.87Å; N45-R48 PolarHBondContact OD1-NH2 3.43Å; R46-R48 PolarHBondContact O-N 3.46Å; R48-S52 WeakPolarHBondContact O-CB 3.49Å; R48-S52 PolarHBondContact O-N 2.79Å; R48-S52 PolarHBondContact O-OG 3.03Å; R48-S52 VanDerWaalsContact O-OG 3.09Å
49V83.8Confident82.1Confident27 Ų2766.4 Ų66.416%0.16433%0.327CS..Hα-helixtrans-76.6-37.3178170.30000112.3N45 R46 C47 S52 S59 V60 L63N45-V49 WeakPolarHBondContact O-CG2 3.38Å; N45-V49 PolarHBondContact O-N 3.24Å; R46-V49 PolarHBondContact O-N 2.91Å; C47-V49 VanDerWaalsContact C-N 3.27Å; C47-V49 PolarHBondContact O-N 2.94Å; V49-S52 PolarHBondContact O-OG 3.33Å; V49-S59 WeakPolarHBondContact CG1-O 3.45Å; V49-V60 HydrophobicContact CG1-CG2 4.3Å; V49-L63 HydrophobicContact CB-CD1 4.33Å; V49-L63 HydrophobicContact CB-CD2 4.36Å; V49-L63 HydrophobicContact CG1-CD1 3.93Å; V49-L63 HydrophobicContact CG1-CG 4.2Å; V49-L63 HydrophobicContact CG2-CD2 4.32Å
50L79.3Confident82.3Confident5 Ų561.6 Ų61.63%0.02630%0.302CS..Hα-helixtrans-94.5-17.3-169-65.3164000113.9R46 C47 V60 L63 F71 V92R46-L50 HydrophobicContact CG-CD1 3.5Å; R46-L50 WeakPolarHBondContact O-CB 3.25Å; R46-L50 WeakPolarHBondContact O-CD1 3.49Å; R46-L50 WeakPolarHBondContact O-CG 3.36Å; R46-L50 PolarHBondContact O-N 3.32Å; C47-L50 PolarHBondContact O-N 3.49Å; L50-V60 HydrophobicContact CD2-CG2 4.34Å; L50-L63 HydrophobicContact CD1-CD1 3.81Å; L50-L63 HydrophobicContact CD2-CD1 3.97Å; L50-L63 HydrophobicContact CG-CD1 3.86Å; L50-F71 HydrophobicContact CB-CD2 3.86Å; L50-F71 HydrophobicContact CB-CE2 3.64Å; L50-F71 HydrophobicContact CB-CZ 4.34Å; L50-F71 HydrophobicContact CD1-CB 3.8Å; L50-F71 HydrophobicContact CD1-CD2 3.36Å; L50-F71 HydrophobicContact CD1-CE2 4.06Å; L50-F71 HydrophobicContact CD1-CG 3.69Å; L50-F71 HydrophobicContact CD2-CD1 4.3Å; L50-F71 HydrophobicContact CD2-CD2 4.06Å; L50-F71 HydrophobicContact CD2-CE1 4.42Å; L50-F71 HydrophobicContact CD2-CE2 4.18Å; L50-F71 HydrophobicContact CD2-CG 4.07Å; L50-F71 HydrophobicContact CD2-CZ 4.33Å; L50-F71 HydrophobicContact CG-CD2 3.95Å; L50-F71 HydrophobicContact CG-CE2 4.16Å; L50-F71 HydrophobicContact CG-CG 4.36Å; L50-V92 HydrophobicContact CD2-CG1 3.77Å
51E73.7Confident82.5Confident89 Ų8953.3 Ų53.342%0.41627%0.273SS..SBendtrans-112.9-3.6176.7-57.3-174.7-171.700112.4S24 C47S24-E51 VanDerWaalsContact CB-OE1 3.24Å; S24-E51 WeakPolarHBondContact CB-OE1 3.39Å; S24-E51 WeakPolarHBondContact CB-OE2 3.14Å; S24-E51 VanDerWaalsContact OG-CD 3.29Å; S24-E51 PolarHBondContact OG-OE2 3.32Å; C47-E51 WeakPolarHBondContact O-CA 3.17Å; C47-E51 VanDerWaalsContact O-CB 3.24Å; C47-E51 WeakPolarHBondContact O-CB 3.39Å; C47-E51 PolarHBondContact O-N 2.95Å
52S67.8Low82.4Confident48 Ų4855 Ų5534%0.33630%0.296SS..SBendtrans-65.4141.8163.759.80000109.1R48 V49 E54 A55R48-S52 WeakPolarHBondContact O-CB 3.49Å; R48-S52 PolarHBondContact O-N 2.79Å; R48-S52 PolarHBondContact O-OG 3.03Å; R48-S52 VanDerWaalsContact O-OG 3.09Å; V49-S52 PolarHBondContact O-OG 3.33Å; S52-E54 PolarHBondContact O-N 3.17Å; S52-A55 PolarHBondContact O-N 3.48Å
53N60.2Low82.3Confident171 Ų17154.2 Ų54.291%0.91429%0.292SS*.THydrogen-bonded Turntrans-66.710.2171.9-160.438.2000113
54E65.6Low82Confident152 Ų15255.7 Ų55.771%0.7130%0.3SS*.THydrogen-bonded Turntrans-12922.8-173.4-61.1-174.1176.500111.9S52 N56S52-E54 PolarHBondContact O-N 3.17Å; E54-N56 PolarHBondContact O-N 2.85Å; E54-N56 PolarHBondContact O-ND2 2.9Å
55A76.5Confident81.9Confident6 Ų659.1 Ų59.15%0.0532%0.318CS..  trans-55.3117172.400000109.4S52 V60 L96 I98S52-A55 PolarHBondContact O-N 3.48Å; A55-V60 HydrophobicContact CB-CG2 4.33Å; A55-L96 HydrophobicContact CB-CD1 3.8Å; A55-I98 HydrophobicContact CB-CD1 3.8Å; A55-I98 WeakPolarHBondContact O-CD1 3.41Å
56N84.3Confident81.7Confident66 Ų6665 Ų6535%0.35334%0.336SS..  trans-129.7168.9178.660.649.3000110E54 D58 S59 V60E54-N56 PolarHBondContact O-N 2.85Å; E54-N56 PolarHBondContact O-ND2 2.9Å; N56-D58 VanDerWaalsContact C-N 3.33Å; N56-D58 PolarHBondContact O-N 3.33Å; N56-D58 PolarHBondContact OD1-N 3.2Å; N56-S59 PolarHBondContact ND2-OG 3.19Å; N56-S59 PolarHBondContact O-N 3.06Å; N56-S59 VanDerWaalsContact OD1-CB 3.29Å; N56-S59 WeakPolarHBondContact OD1-CB 3.28Å; N56-S59 PolarHBondContact OD1-N 3.33Å; N56-S59 PolarHBondContact OD1-OG 3.48Å; N56-V60 WeakPolarHBondContact O-CG2 3.4Å; N56-V60 PolarHBondContact O-N 3.18Å
57W86.1Confident81.6Confident63 Ų6366.1 Ų66.124%0.23934%0.342CS..Hα-helixtrans-50.1-52.5-177.7-171.4-89.7000112.6S59 V60 M61 E86 V89 D90 L93 T100W57-S59 VanDerWaalsContact C-N 3.34Å; W57-S59 PolarHBondContact O-N 3.43Å; W57-V60 PolarHBondContact O-N 2.85Å; W57-M61 WeakPolarHBondContact O-CB 3.25Å; W57-M61 PolarHBondContact O-N 3.23Å; W57-E86 HydrophobicContact CH2-CB 4.39Å; W57-E86 WeakPolarHBondContact CH2-O 3.39Å; W57-E86 HydrophobicContact CZ2-CB 4.1Å; W57-E86 HydrophobicContact CZ2-CG 4.27Å; W57-V89 HydrophobicContact CD2-CG1 3.84Å; W57-V89 HydrophobicContact CE3-CG1 3.68Å; W57-V89 HydrophobicContact CH2-CB 4.07Å; W57-V89 HydrophobicContact CH2-CG1 3.92Å; W57-V89 HydrophobicContact CZ2-CB 4.33Å; W57-V89 HydrophobicContact CZ2-CG1 4.12Å; W57-V89 HydrophobicContact CZ3-CB 4.21Å; W57-V89 HydrophobicContact CZ3-CG1 3.67Å; W57-D90 HydrophobicContact CH2-CB 4.29Å; W57-D90 VanDerWaalsContact CH2-CG 3.41Å; W57-D90 WeakPolarHBondContact CH2-OD1 3.5Å; W57-D90 WeakPolarHBondContact CH2-OD2 3.45Å; W57-D90 HydrophobicContact CZ3-CB 4.2Å; W57-D90 VanDerWaalsContact CZ3-CG 3.43Å; W57-D90 WeakPolarHBondContact CZ3-OD1 3.22Å; W57-L93 HydrophobicContact CB-CD1 4.25Å; W57-L93 HydrophobicContact CD2-CD1 4.14Å; W57-L93 HydrophobicContact CE3-CD1 3.29Å; W57-L93 HydrophobicContact CZ3-CD1 3.88Å; W57-T100 HydrophobicContact CE3-CG2 3.71Å; W57-T100 HydrophobicContact CZ3-CG2 3.65Å
58D86.3Confident81.7Confident116 Ų11666 Ų6662%0.6234%0.341SS*.Hα-helixtrans-63.8-39.7-176.3-59.8-69.6000112.2N56 G62N56-D58 VanDerWaalsContact C-N 3.33Å; N56-D58 PolarHBondContact O-N 3.33Å; N56-D58 PolarHBondContact OD1-N 3.2Å; D58-G62 PolarHBondContact O-N 3.47Å
59S86.8Confident81.6Confident47 Ų4764.8 Ų64.833%0.32934%0.339SS..Hα-helixtrans-69.3-43.9179.6-55.40000111.8V49 N56 W57 G62V49-S59 WeakPolarHBondContact CG1-O 3.45Å; N56-S59 PolarHBondContact ND2-OG 3.19Å; N56-S59 PolarHBondContact O-N 3.06Å; N56-S59 VanDerWaalsContact OD1-CB 3.29Å; N56-S59 WeakPolarHBondContact OD1-CB 3.28Å; N56-S59 PolarHBondContact OD1-N 3.33Å; N56-S59 PolarHBondContact OD1-OG 3.48Å; W57-S59 VanDerWaalsContact C-N 3.34Å; W57-S59 PolarHBondContact O-N 3.43Å; S59-G62 PolarHBondContact O-N 2.94Å
60V87.9Confident81.6Confident0 Ų067 Ų670%034%0.344CS..Hα-helixtrans-71.9-39.1178.1179.90000110.8V49 L50 A55 N56 W57 G62 L63 L68 V89 V92 L93V49-V60 HydrophobicContact CG1-CG2 4.3Å; L50-V60 HydrophobicContact CD2-CG2 4.34Å; A55-V60 HydrophobicContact CB-CG2 4.33Å; N56-V60 WeakPolarHBondContact O-CG2 3.4Å; N56-V60 PolarHBondContact O-N 3.18Å; W57-V60 PolarHBondContact O-N 2.85Å; V60-G62 PolarHBondContact O-N 3.11Å; V60-L63 VanDerWaalsContact O-CB 3.31Å; V60-L63 WeakPolarHBondContact O-CB 3.11Å; V60-L63 PolarHBondContact O-N 3.39Å; V60-L68 HydrophobicContact CG1-CD2 3.59Å; V60-V89 HydrophobicContact CB-CG1 4.03Å; V60-V89 HydrophobicContact CG1-CB 4.32Å; V60-V89 HydrophobicContact CG1-CG1 3.83Å; V60-V89 HydrophobicContact CG1-CG2 4.21Å; V60-V92 HydrophobicContact CG1-CB 4.15Å; V60-V92 HydrophobicContact CG1-CG1 3.76Å; V60-L93 HydrophobicContact CB-CD2 4.39Å; V60-L93 HydrophobicContact CG2-CD2 3.75Å; V60-L93 HydrophobicContact CG2-CG 4.31Å
61M88.1Confident81.8Confident45 Ų4567 Ų6722%0.22234%0.344CS..Hα-helixtrans-65.6-23.3173.5-171.457168.800112.5W57 L63 K85 E86 V89W57-M61 WeakPolarHBondContact O-CB 3.25Å; W57-M61 PolarHBondContact O-N 3.23Å; M61-L63 VanDerWaalsContact C-N 3.26Å; M61-L63 PolarHBondContact O-N 3.11Å; M61-K85 HydrophobicContact CE-CB 4.26Å; M61-K85 HydrophobicContact CE-CD 3.88Å; M61-K85 HydrophobicContact CE-CG 4.18Å; M61-K85 VanDerWaalsContact O-CE 3.23Å; M61-K85 WeakPolarHBondContact O-CE 3.49Å; M61-K85 PolarHBondContact O-NZ 3.49Å; M61-K85 HydrophobicContact SD-CB 4.43Å; M61-K85 HydrophobicContact SD-CD 3.67Å; M61-K85 HydrophobicContact SD-CG 3.8Å; M61-E86 HydrophobicContact CE-CG 3.98Å; M61-E86 WeakPolarHBondContact CE-OE1 3.28Å; M61-V89 HydrophobicContact CB-CG1 4.44Å; M61-V89 HydrophobicContact CB-CG2 4.16Å; M61-V89 HydrophobicContact SD-CG2 3.67Å
62G86.6Confident82.3Confident64 Ų6462.9 Ų62.966%0.6633%0.325SS*.THydrogen-bonded Turntrans-66.4-23.917000000113.9D58 S59 V60D58-G62 PolarHBondContact O-N 3.47Å; S59-G62 PolarHBondContact O-N 2.94Å; V60-G62 PolarHBondContact O-N 3.11Å
63L86.1Confident82.9Confident15 Ų1570 Ų708%0.07934%0.344CS..SBendtrans-71.8152.4177.1-60.8175.9000111.3V49 L50 V60 M61 D67 L68 K85V49-L63 HydrophobicContact CB-CD1 4.33Å; V49-L63 HydrophobicContact CB-CD2 4.36Å; V49-L63 HydrophobicContact CG1-CD1 3.93Å; V49-L63 HydrophobicContact CG1-CG 4.2Å; V49-L63 HydrophobicContact CG2-CD2 4.32Å; L50-L63 HydrophobicContact CD1-CD1 3.81Å; L50-L63 HydrophobicContact CD2-CD1 3.97Å; L50-L63 HydrophobicContact CG-CD1 3.86Å; V60-L63 VanDerWaalsContact O-CB 3.31Å; V60-L63 WeakPolarHBondContact O-CB 3.11Å; V60-L63 PolarHBondContact O-N 3.39Å; M61-L63 VanDerWaalsContact C-N 3.26Å; M61-L63 PolarHBondContact O-N 3.11Å; L63-D67 HydrophobicContact CB-CB 4.08Å; L63-L68 HydrophobicContact CB-CD2 4.21Å; L63-L68 HydrophobicContact CB-CG 4.37Å; L63-L68 HydrophobicContact CD1-CD2 4.38Å; L63-K85 WeakPolarHBondContact O-CE 3.49Å; L63-K85 PolarHBondContact O-NZ 3.18Å
64N85.6Confident83.6Confident78 Ų7865 Ų6542%0.41731%0.313SS..  trans-80.116517565.253.1000111.1R66 D67 L68N64-R66 PolarHBondContact O-N 2.92Å; N64-R66 WeakPolarHBondContact OD1-CA 3.31Å; N64-R66 VanDerWaalsContact OD1-CB 3.24Å; N64-R66 WeakPolarHBondContact OD1-CB 3.47Å; N64-R66 PolarHBondContact OD1-N 2.88Å; N64-D67 VanDerWaalsContact CG-OD2 3.23Å; N64-D67 PolarHBondContact ND2-OD2 3.3Å; N64-D67 WeakPolarHBondContact O-CB 3.38Å; N64-D67 PolarHBondContact O-N 3.07Å; N64-D67 VanDerWaalsContact O-N 3.12Å; N64-D67 WeakPolarHBondContact OD1-CB 3.39Å; N64-D67 PolarHBondContact OD1-N 3.21Å; N64-D67 PolarHBondContact OD1-OD2 3.4Å; N64-L68 WeakPolarHBondContact O-CG 3.39Å; N64-L68 PolarHBondContact O-N 3.44Å
65I86.4Confident83.9Confident72 Ų7263.7 Ų63.737%0.36930%0.301SS..Hα-helixtrans-61.4-31.1-179.7-64.7174000111.9D67 L68 K69 K85I65-D67 VanDerWaalsContact C-N 3.32Å; I65-D67 PolarHBondContact O-N 2.93Å; I65-L68 PolarHBondContact O-N 2.89Å; I65-K69 HydrophobicContact CG2-CD 3.85Å; I65-K69 HydrophobicContact CG2-CG 4.07Å; I65-K69 VanDerWaalsContact O-CB 3.27Å; I65-K69 WeakPolarHBondContact O-CB 3.01Å; I65-K69 VanDerWaalsContact O-CG 3.28Å; I65-K69 WeakPolarHBondContact O-CG 3.29Å; I65-K69 PolarHBondContact O-N 3.22Å; I65-K85 HydrophobicContact CG1-CG 4.15Å
66R84Confident83.6Confident182 Ų18268.8 Ų68.869%0.68733%0.328SS*.Hα-helixtrans-63.5-41.7177.3-177.9-169.5-61.7-179.20.4110.7N64 W70N64-R66 PolarHBondContact O-N 2.92Å; N64-R66 WeakPolarHBondContact OD1-CA 3.31Å; N64-R66 VanDerWaalsContact OD1-CB 3.24Å; N64-R66 WeakPolarHBondContact OD1-CB 3.47Å; N64-R66 PolarHBondContact OD1-N 2.88Å; R66-W70 WeakPolarHBondContact O-CB 3.29Å; R66-W70 PolarHBondContact O-N 3.26Å
67D86Confident83.4Confident32 Ų3266.6 Ų66.617%0.17132%0.316CS..Hα-helixtrans-69.9-42.9178.4-72.1-22.8000111.5R46 L63 N64 I65 W70 F71R46-D67 VanDerWaalsContact CD-CB 3.45Å; R46-D67 WeakPolarHBondContact CD-OD1 3.47Å; R46-D67 HydrophobicContact CG-CB 4.33Å; R46-D67 VanDerWaalsContact CZ-O 3.28Å; R46-D67 VanDerWaalsContact NE-C 3.35Å; R46-D67 VanDerWaalsContact NE-CA 3.35Å; R46-D67 PolarHBondContact NE-O 2.89Å; R46-D67 IonicContact NE-OD1 3.97Å; R46-D67 PolarHBondContact NH2-O 3.43Å; L63-D67 HydrophobicContact CB-CB 4.08Å; N64-D67 VanDerWaalsContact CG-OD2 3.23Å; N64-D67 PolarHBondContact ND2-OD2 3.3Å; N64-D67 WeakPolarHBondContact O-CB 3.38Å; N64-D67 PolarHBondContact O-N 3.07Å; N64-D67 VanDerWaalsContact O-N 3.12Å; N64-D67 WeakPolarHBondContact OD1-CB 3.39Å; N64-D67 PolarHBondContact OD1-N 3.21Å; N64-D67 PolarHBondContact OD1-OD2 3.4Å; I65-D67 VanDerWaalsContact C-N 3.32Å; I65-D67 PolarHBondContact O-N 2.93Å; D67-W70 PolarHBondContact O-N 3.25Å; D67-F71 PolarHBondContact O-N 3.13Å
68L87.9Confident82.9Confident0 Ų066.9 Ų66.90%033%0.326CS..Hα-helixtrans-61.5-50.6173.3-63.9174.4000110.5V60 L63 N64 I65 W70 F71 M72 K85 F88 V89 V92V60-L68 HydrophobicContact CG1-CD2 3.59Å; L63-L68 HydrophobicContact CB-CD2 4.21Å; L63-L68 HydrophobicContact CB-CG 4.37Å; L63-L68 HydrophobicContact CD1-CD2 4.38Å; N64-L68 WeakPolarHBondContact O-CG 3.39Å; N64-L68 PolarHBondContact O-N 3.44Å; I65-L68 PolarHBondContact O-N 2.89Å; L68-W70 VanDerWaalsContact C-N 3.32Å; L68-W70 PolarHBondContact O-N 3.33Å; L68-F71 WeakPolarHBondContact O-CA 3.2Å; L68-F71 WeakPolarHBondContact O-CB 3.46Å; L68-F71 PolarHBondContact O-N 2.92Å; L68-M72 WeakPolarHBondContact O-CB 3.48Å; L68-M72 VanDerWaalsContact O-CG 3.24Å; L68-M72 WeakPolarHBondContact O-CG 3.27Å; L68-M72 PolarHBondContact O-N 3.01Å; L68-K85 HydrophobicContact CD1-CG 4.08Å; L68-F88 HydrophobicContact CB-CB 4.13Å; L68-F88 HydrophobicContact CD1-CB 3.8Å; L68-V89 HydrophobicContact CD1-CG2 3.8Å; L68-V89 HydrophobicContact CD2-CG2 4.37Å; L68-V92 HydrophobicContact CD2-CG2 4.19Å
69K84.2Confident82.6Confident82 Ų8263.3 Ų63.336%0.35731%0.31SS..Hα-helixtrans-60.3-39.4177.9-76.5-177.8176.9-1790112.6I65 F71 R73 F88I65-K69 HydrophobicContact CG2-CD 3.85Å; I65-K69 HydrophobicContact CG2-CG 4.07Å; I65-K69 VanDerWaalsContact O-CB 3.27Å; I65-K69 WeakPolarHBondContact O-CB 3.01Å; I65-K69 VanDerWaalsContact O-CG 3.28Å; I65-K69 WeakPolarHBondContact O-CG 3.29Å; I65-K69 PolarHBondContact O-N 3.22Å; K69-F71 VanDerWaalsContact C-N 3.35Å; K69-R73 WeakPolarHBondContact O-CB 3.23Å; K69-R73 VanDerWaalsContact O-CG 3.27Å; K69-R73 WeakPolarHBondContact O-CG 3.49Å; K69-R73 PolarHBondContact O-N 3.1Å; K69-F88 HydrophobicContact CD-CE1 4.32Å; K69-F88 VanDerWaalsContact CE-CE1 3.46Å; K69-F88 HydrophobicContact CG-CD1 4.14Å; K69-F88 HydrophobicContact CG-CE1 3.83Å
70W83.7Confident82Confident74 Ų7466 Ų6628%0.2832%0.324SS..Hα-helixtrans-61.8-47.2172.9-174.2119.9000110C25 R66 D67 L68 M72 R73 R74C25-W70 HydrophobicContact CB-CH2 3.39Å; C25-W70 HydrophobicContact CB-CZ2 3.64Å; R66-W70 WeakPolarHBondContact O-CB 3.29Å; R66-W70 PolarHBondContact O-N 3.26Å; D67-W70 PolarHBondContact O-N 3.25Å; L68-W70 VanDerWaalsContact C-N 3.32Å; L68-W70 PolarHBondContact O-N 3.33Å; W70-M72 VanDerWaalsContact C-N 3.31Å; W70-M72 PolarHBondContact O-N 3.41Å; W70-R73 WeakPolarHBondContact O-CB 3.46Å; W70-R73 PolarHBondContact O-N 2.96Å; W70-R73 VanDerWaalsContact O-N 3.09Å; W70-R74 HydrophobicContact CE3-CB 3.6Å; W70-R74 HydrophobicContact CE3-CG 4.37Å; W70-R74 HydrophobicContact CZ3-CB 3.75Å; W70-R74 HydrophobicContact CZ3-CG 4.04Å; W70-R74 PolarHBondContact O-N 2.79Å
71F83.4Confident81.4Confident6 Ų668.9 Ų68.93%0.02635%0.354CS..Hα-helixtrans-57.4-49.5-179-172.3-104.8000111.4L50 D67 L68 K69 R73 R74 R75 I77 V92 L96L50-F71 HydrophobicContact CB-CD2 3.86Å; L50-F71 HydrophobicContact CB-CE2 3.64Å; L50-F71 HydrophobicContact CB-CZ 4.34Å; L50-F71 HydrophobicContact CD1-CB 3.8Å; L50-F71 HydrophobicContact CD1-CD2 3.36Å; L50-F71 HydrophobicContact CD1-CE2 4.06Å; L50-F71 HydrophobicContact CD1-CG 3.69Å; L50-F71 HydrophobicContact CD2-CD1 4.3Å; L50-F71 HydrophobicContact CD2-CD2 4.06Å; L50-F71 HydrophobicContact CD2-CE1 4.42Å; L50-F71 HydrophobicContact CD2-CE2 4.18Å; L50-F71 HydrophobicContact CD2-CG 4.07Å; L50-F71 HydrophobicContact CD2-CZ 4.33Å; L50-F71 HydrophobicContact CG-CD2 3.95Å; L50-F71 HydrophobicContact CG-CE2 4.16Å; L50-F71 HydrophobicContact CG-CG 4.36Å; D67-F71 PolarHBondContact O-N 3.13Å; L68-F71 WeakPolarHBondContact O-CA 3.2Å; L68-F71 WeakPolarHBondContact O-CB 3.46Å; L68-F71 PolarHBondContact O-N 2.92Å; K69-F71 VanDerWaalsContact C-N 3.35Å; F71-R73 VanDerWaalsContact C-N 3.29Å; F71-R73 PolarHBondContact O-N 3.18Å; F71-R74 PolarHBondContact O-N 3.18Å; F71-R75 HydrophobicContact CD1-CG 4.26Å; F71-R75 HydrophobicContact CD2-CG 4.39Å; F71-R75 HydrophobicContact CE1-CB 4.29Å; F71-R75 HydrophobicContact CE1-CG 3.7Å; F71-R75 HydrophobicContact CE2-CG 3.86Å; F71-R75 HydrophobicContact CZ-CG 3.51Å; F71-R75 PolarHBondContact O-N 3.13Å; F71-I77 HydrophobicContact CD1-CD1 4.02Å; F71-I77 HydrophobicContact CE1-CD1 4.02Å; F71-V92 HydrophobicContact CD1-CB 4.24Å; F71-V92 HydrophobicContact CD1-CG1 3.63Å; F71-V92 HydrophobicContact CD1-CG2 3.78Å; F71-V92 HydrophobicContact CE1-CB 4.48Å; F71-V92 HydrophobicContact CE1-CG1 3.68Å; F71-V92 HydrophobicContact CE1-CG2 4.47Å; F71-L96 HydrophobicContact CE1-CD2 4.48Å; F71-L96 HydrophobicContact CE1-CG 4.45Å; F71-L96 HydrophobicContact CZ-CD1 4.45Å; F71-L96 HydrophobicContact CZ-CD2 3.89Å; F71-L96 HydrophobicContact CZ-CG 4.29Å
72M85.6Confident81.2Confident1 Ų168.2 Ų68.21%0.00535%0.351CS..Hα-helixtrans-55.6-45.7176.1-69.1-177.480.100111.2L68 W70 R74 R75 N76 I77 P78 L82 F88 A91 V92L68-M72 WeakPolarHBondContact O-CB 3.48Å; L68-M72 VanDerWaalsContact O-CG 3.24Å; L68-M72 WeakPolarHBondContact O-CG 3.27Å; L68-M72 PolarHBondContact O-N 3.01Å; W70-M72 VanDerWaalsContact C-N 3.31Å; W70-M72 PolarHBondContact O-N 3.41Å; M72-R74 PolarHBondContact O-N 3.01Å; M72-R75 CarbonylContact O-C 3.5Å; M72-R75 PolarHBondContact O-N 3.27Å; M72-N76 CarbonylContact O-C 3.59Å; M72-N76 WeakPolarHBondContact O-CA 3.33Å; M72-N76 PolarHBondContact O-N 2.85Å; M72-I77 HydrophobicContact CB-CB 3.9Å; M72-I77 HydrophobicContact CB-CD1 4.5Å; M72-I77 HydrophobicContact CE-CB 3.92Å; M72-I77 HydrophobicContact CE-CG2 3.46Å; M72-I77 VanDerWaalsContact CE-CG2 3.46Å; M72-I77 HydrophobicContact CG-CB 3.99Å; M72-I77 HydrophobicContact CG-CD1 4.11Å; M72-I77 HydrophobicContact CG-CG2 4.32Å; M72-I77 PolarHBondContact O-N 3.45Å; M72-P78 WeakPolarHBondContact CE-O 3.45Å; M72-L82 HydrophobicContact CE-CD1 3.52Å; M72-L82 HydrophobicContact SD-CD1 4.23Å; M72-F88 HydrophobicContact SD-CB 4.28Å; M72-F88 HydrophobicContact SD-CD1 3.59Å; M72-F88 VanDerWaalsContact SD-CD1 3.59Å; M72-F88 HydrophobicContact SD-CE1 4.45Å; M72-F88 HydrophobicContact SD-CG 4.38Å; M72-A91 HydrophobicContact CE-CB 3.75Å; M72-V92 HydrophobicContact CG-CG2 3.72Å; M72-V92 HydrophobicContact SD-CG2 4.41Å
73R79.3Confident81.2Confident198 Ų19872 Ų7275%0.74736%0.355SS*.Hα-helixtrans-60.2-43.2174.1-73.5172.3178.9175.6-2.5113K69 W70 F71 N76K69-R73 WeakPolarHBondContact O-CB 3.23Å; K69-R73 VanDerWaalsContact O-CG 3.27Å; K69-R73 WeakPolarHBondContact O-CG 3.49Å; K69-R73 PolarHBondContact O-N 3.1Å; W70-R73 WeakPolarHBondContact O-CB 3.46Å; W70-R73 PolarHBondContact O-N 2.96Å; W70-R73 VanDerWaalsContact O-N 3.09Å; F71-R73 VanDerWaalsContact C-N 3.29Å; F71-R73 PolarHBondContact O-N 3.18Å; R73-N76 PolarHBondContact O-N 3.43Å
74R74.8Confident81.3Confident66 Ų6676.8 Ų76.825%0.24938%0.377CS..Hα-helixtrans-69.2-34.2-179.7-173.6174179.597.7-6.3113.2S24 W70 F71 M72 S247S24-R74 PolarHBondContact O-NH2 2.8Å; W70-R74 HydrophobicContact CE3-CB 3.6Å; W70-R74 HydrophobicContact CE3-CG 4.37Å; W70-R74 HydrophobicContact CZ3-CB 3.75Å; W70-R74 HydrophobicContact CZ3-CG 4.04Å; W70-R74 PolarHBondContact O-N 2.79Å; F71-R74 PolarHBondContact O-N 3.18Å; M72-R74 PolarHBondContact O-N 3.01Å; R74-S247 PolarHBondContact O-OG 3.4Å
75R72.2Confident81.5Confident125 Ų12575.8 Ų75.847%0.47237%0.369SS..THydrogen-bonded Turntrans-93.77.1177.2-74-66-137.3-115.3-5113.6F71 M72 I77F71-R75 HydrophobicContact CD1-CG 4.26Å; F71-R75 HydrophobicContact CD2-CG 4.39Å; F71-R75 HydrophobicContact CE1-CB 4.29Å; F71-R75 HydrophobicContact CE1-CG 3.7Å; F71-R75 HydrophobicContact CE2-CG 3.86Å; F71-R75 HydrophobicContact CZ-CG 3.51Å; F71-R75 PolarHBondContact O-N 3.13Å; M72-R75 CarbonylContact O-C 3.5Å; M72-R75 PolarHBondContact O-N 3.27Å; R75-I77 VanDerWaalsContact C-N 3.25Å; R75-I77 HydrophobicContact CB-CD1 3.89Å; R75-I77 HydrophobicContact CB-CG1 3.79Å; R75-I77 PolarHBondContact O-N 3.26Å
76N71Confident81.7Confident113 Ų11376.3 Ų76.360%0.60437%0.369SS*.THydrogen-bonded Turntrans53.838.3-177-159.823.3000114.3M72 R73M72-N76 CarbonylContact O-C 3.59Å; M72-N76 WeakPolarHBondContact O-CA 3.33Å; M72-N76 PolarHBondContact O-N 2.85Å; R73-N76 PolarHBondContact O-N 3.43Å
77I79Confident82Confident20 Ų2069.1 Ų69.110%0.10334%0.344CS..  trans-86.9120.1175.2-46.4168.8000107.6F71 M72 R75 S79 A91 V92 S95F71-I77 HydrophobicContact CD1-CD1 4.02Å; F71-I77 HydrophobicContact CE1-CD1 4.02Å; M72-I77 HydrophobicContact CB-CB 3.9Å; M72-I77 HydrophobicContact CB-CD1 4.5Å; M72-I77 HydrophobicContact CE-CB 3.92Å; M72-I77 HydrophobicContact CE-CG2 3.46Å; M72-I77 VanDerWaalsContact CE-CG2 3.46Å; M72-I77 HydrophobicContact CG-CB 3.99Å; M72-I77 HydrophobicContact CG-CD1 4.11Å; M72-I77 HydrophobicContact CG-CG2 4.32Å; M72-I77 PolarHBondContact O-N 3.45Å; R75-I77 VanDerWaalsContact C-N 3.25Å; R75-I77 HydrophobicContact CB-CD1 3.89Å; R75-I77 HydrophobicContact CB-CG1 3.79Å; R75-I77 PolarHBondContact O-N 3.26Å; I77-S79 PolarHBondContact O-N 2.93Å; I77-A91 HydrophobicContact CG2-CB 4.01Å; I77-V92 HydrophobicContact CD1-CG2 4.47Å; I77-S95 WeakPolarHBondContact CD1-OG 3.37Å
78P76.1Confident82.2Confident68 Ų6867.9 Ų67.944%0.44234%0.337SS..  trans-66.2126.3178.925.9-32.4000110.1M72 F110M72-P78 WeakPolarHBondContact CE-O 3.45Å; P78-F110 HydrophobicContact CG-CE1 4.5Å
79S79.6Confident82.3Confident42 Ų4267.9 Ų67.929%0.29434%0.337SS..  trans-100.211.5175.477.30000113.2I77I77-S79 PolarHBondContact O-N 2.93Å
80V73.7Confident82.5Confident103 Ų10366.2 Ų66.262%0.62433%0.332SS*.THydrogen-bonded Turntrans-74.3129.5-177.2-1790000108.9L82V80-L82 VanDerWaalsContact C-N 3.27Å; V80-L82 PolarHBondContact O-N 3.33Å
81G76.2Confident82.6Confident61 Ų6162.9 Ų62.963%0.62932%0.32SS*.THydrogen-bonded Turntrans83.4-6.1-179.600000114.9I83G81-I83 PolarHBondContact O-N 3.18Å
82L84.4Confident82.8Confident30 Ų3062.6 Ų62.616%0.15732%0.319CS..  trans-78.2121.1173.5-51.9-174.6000109.8M72 V80 Q87 F88 A91 F110M72-L82 HydrophobicContact CE-CD1 3.52Å; M72-L82 HydrophobicContact SD-CD1 4.23Å; V80-L82 VanDerWaalsContact C-N 3.27Å; V80-L82 PolarHBondContact O-N 3.33Å; L82-Q87 HydrophobicContact CB-CB 4.27Å; L82-Q87 HydrophobicContact CD2-CB 3.98Å; L82-F88 HydrophobicContact CB-CD1 4.29Å; L82-F88 HydrophobicContact CB-CD2 4.1Å; L82-F88 HydrophobicContact CB-CE1 3.95Å; L82-F88 HydrophobicContact CB-CE2 3.73Å; L82-F88 HydrophobicContact CB-CG 4.34Å; L82-F88 HydrophobicContact CB-CZ 3.63Å; L82-F88 HydrophobicContact CD1-CD1 3.98Å; L82-F88 HydrophobicContact CD1-CE1 4.27Å; L82-F88 HydrophobicContact CD1-CG 4.18Å; L82-F88 VanDerWaalsContact O-CZ 3.3Å; L82-F88 WeakPolarHBondContact O-CZ 3.28Å; L82-A91 HydrophobicContact CD1-CB 4.01Å; L82-F110 HydrophobicContact CD2-CZ 4.31Å
83I85.2Confident82.9Confident145 Ų14562.6 Ų62.674%0.74432%0.319SS*.  trans-106.7-50-175.2-57.9172.1000110.1G81G81-I83 PolarHBondContact O-N 3.18Å
84E88.7Confident83.1Confident114 Ų11457.3 Ų57.353%0.53331%0.305SS..SBendtrans-93.5149.3-174.8-60.7172.513600111.3E86 Q87 F88E84-E86 PolarHBondContact O-N 2.9Å; E84-Q87 HydrophobicContact CB-CG 4.17Å; E84-Q87 WeakPolarHBondContact O-CB 3.26Å; E84-Q87 PolarHBondContact O-N 3.45Å; E84-Q87 PolarHBondContact OE2-NE2 2.94Å; E84-F88 WeakPolarHBondContact O-CD2 3.48Å; E84-F88 PolarHBondContact O-N 3.29Å
85K89.4Confident83.5Confident57 Ų5756.8 Ų56.825%0.24831%0.312CS..Hα-helixtrans-59.6-39.1-175-173.9-179.3178.7-173.90111.3M61 L63 I65 L68 Q87 F88 V89M61-K85 HydrophobicContact CE-CB 4.26Å; M61-K85 HydrophobicContact CE-CD 3.88Å; M61-K85 HydrophobicContact CE-CG 4.18Å; M61-K85 VanDerWaalsContact O-CE 3.23Å; M61-K85 WeakPolarHBondContact O-CE 3.49Å; M61-K85 PolarHBondContact O-NZ 3.49Å; M61-K85 HydrophobicContact SD-CB 4.43Å; M61-K85 HydrophobicContact SD-CD 3.67Å; M61-K85 HydrophobicContact SD-CG 3.8Å; L63-K85 WeakPolarHBondContact O-CE 3.49Å; L63-K85 PolarHBondContact O-NZ 3.18Å; I65-K85 HydrophobicContact CG1-CG 4.15Å; L68-K85 HydrophobicContact CD1-CG 4.08Å; K85-Q87 PolarHBondContact O-N 3.49Å; K85-F88 WeakPolarHBondContact O-CB 3.38Å; K85-F88 PolarHBondContact O-N 3.09Å; K85-V89 WeakPolarHBondContact O-CG2 3.49Å; K85-V89 PolarHBondContact O-N 3.26Å
86E90.5Very high84Confident83 Ų8353 Ų5339%0.38830%0.3SS..Hα-helixtrans-53.2-42.1175.7-65.974.7-167.500110.9W57 M61 E84 F88 V89 D90W57-E86 HydrophobicContact CH2-CB 4.39Å; W57-E86 WeakPolarHBondContact CH2-O 3.39Å; W57-E86 HydrophobicContact CZ2-CB 4.1Å; W57-E86 HydrophobicContact CZ2-CG 4.27Å; M61-E86 HydrophobicContact CE-CG 3.98Å; M61-E86 WeakPolarHBondContact CE-OE1 3.28Å; E84-E86 PolarHBondContact O-N 2.9Å; E86-F88 VanDerWaalsContact C-N 3.34Å; E86-F88 PolarHBondContact O-N 2.98Å; E86-V89 WeakPolarHBondContact O-CB 3.48Å; E86-V89 PolarHBondContact O-N 3.11Å; E86-V89 VanDerWaalsContact O-N 3.1Å; E86-D90 PolarHBondContact O-N 2.8Å
87Q90.8Very high84.3Confident32 Ų3250.8 Ų50.815%0.1531%0.305CS..Hα-helixtrans-67-34.5178.6-56.6175.525.800112.2L82 E84 K85 A91L82-Q87 HydrophobicContact CB-CB 4.27Å; L82-Q87 HydrophobicContact CD2-CB 3.98Å; E84-Q87 HydrophobicContact CB-CG 4.17Å; E84-Q87 WeakPolarHBondContact O-CB 3.26Å; E84-Q87 PolarHBondContact O-N 3.45Å; E84-Q87 PolarHBondContact OE2-NE2 2.94Å; K85-Q87 PolarHBondContact O-N 3.49Å; Q87-A91 WeakPolarHBondContact O-CB 3.44Å; Q87-A91 PolarHBondContact O-N 3.5Å; Q87-A91 VanDerWaalsContact O-N 3.08Å
88F89.7Confident84.2Confident6 Ų652.6 Ų52.63%0.02631%0.314CS..Hα-helixtrans-67.1-41.4171.5-64.6-96.8000110.8L68 K69 M72 L82 E84 K85 E86 A91 V92L68-F88 HydrophobicContact CB-CB 4.13Å; L68-F88 HydrophobicContact CD1-CB 3.8Å; K69-F88 HydrophobicContact CD-CE1 4.32Å; K69-F88 VanDerWaalsContact CE-CE1 3.46Å; K69-F88 HydrophobicContact CG-CD1 4.14Å; K69-F88 HydrophobicContact CG-CE1 3.83Å; M72-F88 HydrophobicContact SD-CB 4.28Å; M72-F88 HydrophobicContact SD-CD1 3.59Å; M72-F88 VanDerWaalsContact SD-CD1 3.59Å; M72-F88 HydrophobicContact SD-CE1 4.45Å; M72-F88 HydrophobicContact SD-CG 4.38Å; L82-F88 HydrophobicContact CB-CD1 4.29Å; L82-F88 HydrophobicContact CB-CD2 4.1Å; L82-F88 HydrophobicContact CB-CE1 3.95Å; L82-F88 HydrophobicContact CB-CE2 3.73Å; L82-F88 HydrophobicContact CB-CG 4.34Å; L82-F88 HydrophobicContact CB-CZ 3.63Å; L82-F88 HydrophobicContact CD1-CD1 3.98Å; L82-F88 HydrophobicContact CD1-CE1 4.27Å; L82-F88 HydrophobicContact CD1-CG 4.18Å; L82-F88 VanDerWaalsContact O-CZ 3.3Å; L82-F88 WeakPolarHBondContact O-CZ 3.28Å; E84-F88 WeakPolarHBondContact O-CD2 3.48Å; E84-F88 PolarHBondContact O-N 3.29Å; K85-F88 WeakPolarHBondContact O-CB 3.38Å; K85-F88 PolarHBondContact O-N 3.09Å; E86-F88 VanDerWaalsContact C-N 3.34Å; E86-F88 PolarHBondContact O-N 2.98Å; F88-A91 PolarHBondContact O-N 3.05Å; F88-V92 VanDerWaalsContact O-CG2 3.24Å; F88-V92 WeakPolarHBondContact O-CG2 3.47Å; F88-V92 PolarHBondContact O-N 3.03Å
89V90.5Very high83.7Confident0 Ų054.9 Ų54.90%033%0.332CS..Hα-helixtrans-64.5-45.8178.6175.60000111.2W57 V60 M61 L68 K85 E86 A91 V92 L93W57-V89 HydrophobicContact CD2-CG1 3.84Å; W57-V89 HydrophobicContact CE3-CG1 3.68Å; W57-V89 HydrophobicContact CH2-CB 4.07Å; W57-V89 HydrophobicContact CH2-CG1 3.92Å; W57-V89 HydrophobicContact CZ2-CB 4.33Å; W57-V89 HydrophobicContact CZ2-CG1 4.12Å; W57-V89 HydrophobicContact CZ3-CB 4.21Å; W57-V89 HydrophobicContact CZ3-CG1 3.67Å; V60-V89 HydrophobicContact CB-CG1 4.03Å; V60-V89 HydrophobicContact CG1-CB 4.32Å; V60-V89 HydrophobicContact CG1-CG1 3.83Å; V60-V89 HydrophobicContact CG1-CG2 4.21Å; M61-V89 HydrophobicContact CB-CG1 4.44Å; M61-V89 HydrophobicContact CB-CG2 4.16Å; M61-V89 HydrophobicContact SD-CG2 3.67Å; L68-V89 HydrophobicContact CD1-CG2 3.8Å; L68-V89 HydrophobicContact CD2-CG2 4.37Å; K85-V89 WeakPolarHBondContact O-CG2 3.49Å; K85-V89 PolarHBondContact O-N 3.26Å; E86-V89 WeakPolarHBondContact O-CB 3.48Å; E86-V89 PolarHBondContact O-N 3.11Å; E86-V89 VanDerWaalsContact O-N 3.1Å; V89-A91 PolarHBondContact O-N 2.83Å; V89-V92 PolarHBondContact O-N 3.02Å; V89-L93 HydrophobicContact CG1-CD1 3.63Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CG 3.27Å; V89-L93 PolarHBondContact O-N 3.1Å
90D88.7Confident82.9Confident47 Ų4754.5 Ų54.525%0.25133%0.327SS..Hα-helixtrans-55.9-49.4173.4-87.8-49000111.4W57 E86 V92 L93 N94 T100W57-D90 HydrophobicContact CH2-CB 4.29Å; W57-D90 VanDerWaalsContact CH2-CG 3.41Å; W57-D90 WeakPolarHBondContact CH2-OD1 3.5Å; W57-D90 WeakPolarHBondContact CH2-OD2 3.45Å; W57-D90 HydrophobicContact CZ3-CB 4.2Å; W57-D90 VanDerWaalsContact CZ3-CG 3.43Å; W57-D90 WeakPolarHBondContact CZ3-OD1 3.22Å; E86-D90 PolarHBondContact O-N 2.8Å; D90-V92 VanDerWaalsContact C-N 3.27Å; D90-V92 PolarHBondContact O-N 2.87Å; D90-L93 PolarHBondContact O-N 3.1Å; D90-N94 VanDerWaalsContact O-CB 3.25Å; D90-N94 WeakPolarHBondContact O-CB 3.47Å; D90-N94 VanDerWaalsContact O-CG 3.24Å; D90-N94 PolarHBondContact O-N 2.78Å; D90-N94 PolarHBondContact O-ND2 2.91Å; D90-T100 VanDerWaalsContact OD1-CB 3.27Å; D90-T100 WeakPolarHBondContact OD1-CB 3.42Å; D90-T100 VanDerWaalsContact OD1-CG2 3.29Å; D90-T100 WeakPolarHBondContact OD1-CG2 3.48Å; D90-T100 PolarHBondContact OD1-OG1 2.8Å
91A86.6Confident82Confident4 Ų460.2 Ų60.23%0.03334%0.338CS..Hα-helixtrans-60-39.6179.500000112.1M72 I77 L82 Q87 F88 V89 S95 F110M72-A91 HydrophobicContact CE-CB 3.75Å; I77-A91 HydrophobicContact CG2-CB 4.01Å; L82-A91 HydrophobicContact CD1-CB 4.01Å; Q87-A91 WeakPolarHBondContact O-CB 3.44Å; Q87-A91 PolarHBondContact O-N 3.5Å; Q87-A91 VanDerWaalsContact O-N 3.08Å; F88-A91 PolarHBondContact O-N 3.05Å; V89-A91 PolarHBondContact O-N 2.83Å; A91-S95 WeakPolarHBondContact O-CB 3.48Å; A91-S95 PolarHBondContact O-N 3.2Å; A91-S95 VanDerWaalsContact O-N 3.16Å; A91-F110 HydrophobicContact CB-CE2 4.45Å; A91-F110 HydrophobicContact CB-CZ 3.82Å
92V87.5Confident80.8Confident0 Ų061.9 Ų61.90%034%0.34CS..Hα-helixtrans-66.6-49.2176.1168.60000111.4L50 V60 L68 F71 M72 I77 F88 V89 D90 S95 L96L50-V92 HydrophobicContact CD2-CG1 3.77Å; V60-V92 HydrophobicContact CG1-CB 4.15Å; V60-V92 HydrophobicContact CG1-CG1 3.76Å; L68-V92 HydrophobicContact CD2-CG2 4.19Å; F71-V92 HydrophobicContact CD1-CB 4.24Å; F71-V92 HydrophobicContact CD1-CG1 3.63Å; F71-V92 HydrophobicContact CD1-CG2 3.78Å; F71-V92 HydrophobicContact CE1-CB 4.48Å; F71-V92 HydrophobicContact CE1-CG1 3.68Å; F71-V92 HydrophobicContact CE1-CG2 4.47Å; M72-V92 HydrophobicContact CG-CG2 3.72Å; M72-V92 HydrophobicContact SD-CG2 4.41Å; I77-V92 HydrophobicContact CD1-CG2 4.47Å; F88-V92 VanDerWaalsContact O-CG2 3.24Å; F88-V92 WeakPolarHBondContact O-CG2 3.47Å; F88-V92 PolarHBondContact O-N 3.03Å; V89-V92 PolarHBondContact O-N 3.02Å; D90-V92 VanDerWaalsContact C-N 3.27Å; D90-V92 PolarHBondContact O-N 2.87Å; V92-S95 PolarHBondContact O-N 2.72Å; V92-S95 PolarHBondContact O-OG 2.71Å; V92-L96 HydrophobicContact CG1-CD1 4.23Å; V92-L96 WeakPolarHBondContact O-CG 3.32Å; V92-L96 PolarHBondContact O-N 3.38Å
93L87.4Confident78.9Confident1 Ų166.4 Ų66.41%0.00537%0.374CS..Hα-helixtrans-67.4-39.9-178.2-70.8166.5000112.3W57 V60 V89 D90 S95 L96 G97 I98 T100W57-L93 HydrophobicContact CB-CD1 4.25Å; W57-L93 HydrophobicContact CD2-CD1 4.14Å; W57-L93 HydrophobicContact CE3-CD1 3.29Å; W57-L93 HydrophobicContact CZ3-CD1 3.88Å; V60-L93 HydrophobicContact CB-CD2 4.39Å; V60-L93 HydrophobicContact CG2-CD2 3.75Å; V60-L93 HydrophobicContact CG2-CG 4.31Å; V89-L93 HydrophobicContact CG1-CD1 3.63Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CG 3.27Å; V89-L93 PolarHBondContact O-N 3.1Å; D90-L93 PolarHBondContact O-N 3.1Å; L93-S95 VanDerWaalsContact C-N 3.28Å; L93-S95 PolarHBondContact O-N 3.42Å; L93-L96 CarbonylContact O-C 3.49Å; L93-L96 WeakPolarHBondContact O-CA 3.26Å; L93-L96 WeakPolarHBondContact O-CB 3.43Å; L93-L96 PolarHBondContact O-N 3.5Å; L93-G97 PolarHBondContact O-N 2.82Å; L93-G97 VanDerWaalsContact O-N 3.13Å; L93-I98 CarbonylContact C-O 3.44Å; L93-I98 HydrophobicContact CB-CB 4.34Å; L93-I98 HydrophobicContact CD2-CB 4.16Å; L93-I98 HydrophobicContact CD2-CD1 4.27Å; L93-I98 HydrophobicContact CD2-CG2 4.2Å; L93-I98 PolarHBondContact O-N 2.77Å; L93-T100 HydrophobicContact CB-CG2 3.62Å; L93-T100 HydrophobicContact CD1-CG2 3.66Å; L93-T100 HydrophobicContact CG-CG2 4.31Å
94N84.2Confident76.9Confident86 Ų8666.5 Ų66.546%0.4638%0.376SS..Hα-helixtrans-59.8-39.4173.3-74.8-28.3000111.5D90 L96 G97D90-N94 VanDerWaalsContact O-CB 3.25Å; D90-N94 WeakPolarHBondContact O-CB 3.47Å; D90-N94 VanDerWaalsContact O-CG 3.24Å; D90-N94 PolarHBondContact O-N 2.78Å; D90-N94 PolarHBondContact O-ND2 2.91Å; N94-L96 PolarHBondContact O-N 3.1Å; N94-G97 PolarHBondContact O-N 3.38Å; N94-G97 VanDerWaalsContact O-N 3.09Å
95S82.5Confident74.4Confident55 Ų5566.2 Ų66.239%0.38539%0.394SS..Hα-helixtrans-67.6-22.6175.380.80000114.1I77 A91 V92 L93 G97I77-S95 WeakPolarHBondContact CD1-OG 3.37Å; A91-S95 WeakPolarHBondContact O-CB 3.48Å; A91-S95 PolarHBondContact O-N 3.2Å; A91-S95 VanDerWaalsContact O-N 3.16Å; V92-S95 PolarHBondContact O-N 2.72Å; V92-S95 PolarHBondContact O-OG 2.71Å; L93-S95 VanDerWaalsContact C-N 3.28Å; L93-S95 PolarHBondContact O-N 3.42Å; S95-G97 VanDerWaalsContact C-N 3.34Å
96L81.9Confident71.8Confident45 Ų4566.1 Ų66.124%0.23641%0.408CS..THydrogen-bonded Turntrans-89.3-2.7175.1-67.2173.5000112.1A55 F71 V92 L93 N94 I98A55-L96 HydrophobicContact CB-CD1 3.8Å; F71-L96 HydrophobicContact CE1-CD2 4.48Å; F71-L96 HydrophobicContact CE1-CG 4.45Å; F71-L96 HydrophobicContact CZ-CD1 4.45Å; F71-L96 HydrophobicContact CZ-CD2 3.89Å; F71-L96 HydrophobicContact CZ-CG 4.29Å; V92-L96 HydrophobicContact CG1-CD1 4.23Å; V92-L96 WeakPolarHBondContact O-CG 3.32Å; V92-L96 PolarHBondContact O-N 3.38Å; L93-L96 CarbonylContact O-C 3.49Å; L93-L96 WeakPolarHBondContact O-CA 3.26Å; L93-L96 WeakPolarHBondContact O-CB 3.43Å; L93-L96 PolarHBondContact O-N 3.5Å; N94-L96 PolarHBondContact O-N 3.1Å; L96-I98 HydrophobicContact CB-CD1 3.89Å; L96-I98 HydrophobicContact CB-CG1 3.9Å; L96-I98 HydrophobicContact CD1-CD1 4.42Å
97G78.3Confident69.1Low67 Ų6769.6 Ų69.669%0.69143%0.43SS*.THydrogen-bonded Turntrans75.421.5-176.400000114.1L93 N94 S95L93-G97 PolarHBondContact O-N 2.82Å; L93-G97 VanDerWaalsContact O-N 3.13Å; N94-G97 PolarHBondContact O-N 3.38Å; N94-G97 VanDerWaalsContact O-N 3.09Å; S95-G97 VanDerWaalsContact C-N 3.34Å
98I77Confident66.5Low59 Ų5977.7 Ų77.730%0.30346%0.46SS..  trans-104.5109.6-173.8-52.4-177.6000108.9A55 L93 L96 T100A55-I98 HydrophobicContact CB-CD1 3.8Å; A55-I98 WeakPolarHBondContact O-CD1 3.41Å; L93-I98 CarbonylContact C-O 3.44Å; L93-I98 HydrophobicContact CB-CB 4.34Å; L93-I98 HydrophobicContact CD2-CB 4.16Å; L93-I98 HydrophobicContact CD2-CD1 4.27Å; L93-I98 HydrophobicContact CD2-CG2 4.2Å; L93-I98 PolarHBondContact O-N 2.77Å; L96-I98 HydrophobicContact CB-CD1 3.89Å; L96-I98 HydrophobicContact CB-CG1 3.9Å; L96-I98 HydrophobicContact CD1-CD1 4.42Å; I98-T100 PolarHBondContact O-N 2.95Å
99S65.6Low63.9Low116 Ų11682 Ų8281%0.81149%0.487SS*.  trans-66.1125.9179.1-55.60000111.3
100T62.2Low61.4Low33 Ų3386.4 Ų86.420%0.20251%0.506CS..  trans-84.7153.3-174.865.10000111.8W57 D90 L93 I98 S102W57-T100 HydrophobicContact CE3-CG2 3.71Å; W57-T100 HydrophobicContact CZ3-CG2 3.65Å; D90-T100 VanDerWaalsContact OD1-CB 3.27Å; D90-T100 WeakPolarHBondContact OD1-CB 3.42Å; D90-T100 VanDerWaalsContact OD1-CG2 3.29Å; D90-T100 WeakPolarHBondContact OD1-CG2 3.48Å; D90-T100 PolarHBondContact OD1-OG1 2.8Å; L93-T100 HydrophobicContact CB-CG2 3.62Å; L93-T100 HydrophobicContact CD1-CG2 3.66Å; L93-T100 HydrophobicContact CG-CG2 4.31Å; I98-T100 PolarHBondContact O-N 2.95Å; T100-S102 PolarHBondContact O-N 3.49Å
101R54.9Low59Low223 Ų22387.5 Ų87.584%0.84252%0.516SS*.SBendtrans-75.171.4178.6-73172.3101.8-173.76.6110.2
102S50.2Low56.5Low96 Ų9692.1 Ų92.167%0.67154%0.54SS*.  trans-17188.8152.9-90.60000111.7T100 N104T100-S102 PolarHBondContact O-N 3.49Å; S102-N104 PolarHBondContact O-N 2.79Å
103S44.9Very low54.2Low126 Ų12697.3 Ų97.388%0.88158%0.576SS**  trans-72.237.1166.6-48.20000113.4
104N43.4Very low51.9Low146 Ų146102.2 Ų102.278%0.78161%0.606SS**  trans-120.593.2178.3-81.9-37.8000111.7S102S102-N104 PolarHBondContact O-N 2.79Å
105A36.4Very low50Low109 Ų109106.3 Ų106.390%0.90162%0.62SS**  trans30105.3138.600000118.5
106G34.1Very low48.4Very low54 Ų54115.2 Ų115.256%0.55765%0.645SS**  trans176.861.416300000111.8Y108G106-Y108 WeakPolarHBondContact O-CD2 3.27Å; G106-Y108 PolarHBondContact O-N 3.45Å
107D34.9Very low47.2Very low157 Ų157116.7 Ų116.784%0.8465%0.654SS**  trans30.333.7154-70.7-27.9000121V109D107-V109 PolarHBondContact O-N 3.49Å; D107-V109 VanDerWaalsContact O-N 3.11Å
108Y35.7Very low46.4Very low201 Ų201114.9 Ų114.979%0.78863%0.629SS**  trans-8765.2159.2-65.8-72.5000108.9G106 F110G106-Y108 WeakPolarHBondContact O-CD2 3.27Å; G106-Y108 PolarHBondContact O-N 3.45Å; Y108-F110 VanDerWaalsContact C-N 3.31Å; Y108-F110 PolarHBondContact O-N 3.3Å
109V34.9Very low46.1Very low96 Ų96116.9 Ų116.958%0.58264%0.636SS**  trans-63.996.9163.1179.30000106.2D107 P111D107-V109 PolarHBondContact O-N 3.49Å; D107-V109 VanDerWaalsContact O-N 3.11Å; V109-P111 VanDerWaalsContact O-N 3.11Å
110F38.5Very low46.6Very low93 Ų93111.9 Ų111.941%0.40860%0.6SS.*  trans-44.9121.3148.4-83.4-84.8000105.2P78 L82 A91 Y108 D112P78-F110 HydrophobicContact CG-CE1 4.5Å; L82-F110 HydrophobicContact CD2-CZ 4.31Å; A91-F110 HydrophobicContact CB-CE2 4.45Å; A91-F110 HydrophobicContact CB-CZ 3.82Å; Y108-F110 VanDerWaalsContact C-N 3.31Å; Y108-F110 PolarHBondContact O-N 3.3Å; F110-D112 VanDerWaalsContact C-N 3.35Å; F110-D112 PolarHBondContact O-N 3.43Å
111P38.5Very low47.1Very low71 Ų71116.9 Ų116.946%0.46162%0.621SS.*  trans-49.4107.6-174.310.5-21.8000108.3V109 S113V109-P111 VanDerWaalsContact O-N 3.11Å; P111-S113 PolarHBondContact O-N 3.35Å
112D32.8Very low47.9Very low101 Ų101111.2 Ų111.254%0.5461%0.607SS.*  trans-46.9129.7171.2-17918.9000106.4F110 T114F110-D112 VanDerWaalsContact C-N 3.35Å; F110-D112 PolarHBondContact O-N 3.43Å; D112-T114 PolarHBondContact O-N 3.16Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.48Å; D112-T114 WeakPolarHBondContact OD2-CG2 3.05Å; D112-T114 PolarHBondContact OD2-OG1 2.58Å
113S39.8Very low49Very low109 Ų109107.1 Ų107.176%0.76258%0.577SS**THydrogen-bonded Turntrans-65.526.5-177.8-79.80000112.8P111P111-S113 PolarHBondContact O-N 3.35Å
114T38.7Very low49.8Very low103 Ų103108.7 Ų108.763%0.63257%0.573SS**THydrogen-bonded Turntrans-112.4-7.9-175.260.60000113.7D112D112-T114 PolarHBondContact O-N 3.16Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.48Å; D112-T114 WeakPolarHBondContact OD2-CG2 3.05Å; D112-T114 PolarHBondContact OD2-OG1 2.58Å
115K44.9Very low51.3Low172 Ų172103.5 Ų103.575%0.74855%0.548SS*.SBendtrans-97.7106.5164-87.9179.1177.81750109.5N117K115-N117 PolarHBondContact O-N 3.08Å
116R48Very low53.6Low242 Ų242100.9 Ų100.991%0.91352%0.517SS*.  trans-29.1101-179.1-72.5179.4179161.9-1.1112.3V118R116-V118 PolarHBondContact O-N 2.98Å
117N56.6Low55.8Low77 Ų77104.8 Ų104.841%0.41252%0.521SS..  trans-59.6118167.9-80.3-56.3000107.2K115 K119K115-N117 PolarHBondContact O-N 3.08Å; N117-K119 PolarHBondContact O-N 2.61Å; N117-K119 VanDerWaalsContact O-N 3.13Å
118V62.1Low58.1Low29 Ų2999 Ų9918%0.17649%0.493CS..  trans-65.5112.5176.2177.60000107.2R116 L123 L132 Q136 L140R116-V118 PolarHBondContact O-N 2.98Å; V118-L123 HydrophobicContact CG1-CD1 3.95Å; V118-L123 HydrophobicContact CG1-CD2 3.7Å; V118-L123 HydrophobicContact CG1-CG 3.7Å; V118-L132 HydrophobicContact CG1-CD1 4.15Å; V118-L132 HydrophobicContact CG1-CD2 4.18Å; V118-L132 HydrophobicContact CG2-CD2 3.86Å; V118-Q136 HydrophobicContact CG2-CG 4.41Å; V118-L140 VanDerWaalsContact O-CD1 3.29Å; V118-L140 WeakPolarHBondContact O-CD1 3.33Å
119K71Confident60.5Low101 Ų10189.4 Ų89.444%0.43946%0.455SS..  trans-85.5156.4173.9-62-179179.5-177.60109.6N117 E121 D122N117-K119 PolarHBondContact O-N 2.61Å; N117-K119 VanDerWaalsContact O-N 3.13Å; K119-E121 HydrophobicContact CB-CB 4.48Å; K119-E121 PolarHBondContact O-N 3.26Å; K119-D122 WeakPolarHBondContact CB-OD2 3.49Å; K119-D122 PolarHBondContact N-OD2 3.42Å; K119-D122 PolarHBondContact O-N 2.71Å; K119-D122 VanDerWaalsContact O-N 3.08Å
120L75.8Confident62.9Low11 Ų1189.1 Ų89.16%0.05845%0.447CS..THydrogen-bonded Turntrans-57.7-29.8173-79.8163.5000112.4L123 L140 N144 L164 W165 Y168L120-L123 PolarHBondContact O-N 3.38Å; L120-L140 HydrophobicContact CD2-CD1 4.33Å; L120-L140 HydrophobicContact CG-CD1 4.08Å; L120-N144 WeakPolarHBondContact CD1-OD1 3.24Å; L120-L164 HydrophobicContact CD1-CD1 4.15Å; L120-L164 HydrophobicContact CD1-CD2 4.15Å; L120-L164 HydrophobicContact CD1-CG 3.98Å; L120-L164 HydrophobicContact CD2-CD2 4.07Å; L120-L164 HydrophobicContact CD2-CG 3.89Å; L120-L164 HydrophobicContact CG-CD2 4.43Å; L120-L164 HydrophobicContact CG-CG 4.48Å; L120-W165 HydrophobicContact CD2-CB 4.14Å; L120-Y168 HydrophobicContact CB-CD1 3.8Å; L120-Y168 HydrophobicContact CB-CD2 4.24Å; L120-Y168 HydrophobicContact CB-CE1 3.93Å; L120-Y168 HydrophobicContact CB-CE2 4.39Å; L120-Y168 HydrophobicContact CB-CG 3.97Å; L120-Y168 HydrophobicContact CD1-CD2 4.02Å; L120-Y168 HydrophobicContact CD1-CG 4.07Å; L120-Y168 HydrophobicContact CG-CG 4.43Å
121E73.3Confident65.1Low137 Ų13791.3 Ų91.364%0.6446%0.463SS*.THydrogen-bonded Turntrans-66.9-34.1176.4-66.8164.1-124.500113.1K119 L123 Y168K119-E121 HydrophobicContact CB-CB 4.48Å; K119-E121 PolarHBondContact O-N 3.26Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.92Å; E121-Y168 HydrophobicContact CG-CE1 4.35Å; E121-Y168 WeakPolarHBondContact CG-OH 3.49Å
122D72.5Confident67.2Low104 Ų10488.6 Ų88.656%0.55645%0.445SS*.THydrogen-bonded Turntrans-78.2-15.6-178.1-57.7-40.2000112.1K119 M124K119-D122 WeakPolarHBondContact CB-OD2 3.49Å; K119-D122 PolarHBondContact N-OD2 3.42Å; K119-D122 PolarHBondContact O-N 2.71Å; K119-D122 VanDerWaalsContact O-N 3.08Å; D122-M124 PolarHBondContact O-N 3.02Å
123L71.8Confident69.6Low10 Ų1086.3 Ų86.35%0.05244%0.437CS..  trans-85.3102.8-179.2-68.2169.5000110V118 L120 E121 I129 L132 L140 W165V118-L123 HydrophobicContact CG1-CD1 3.95Å; V118-L123 HydrophobicContact CG1-CD2 3.7Å; V118-L123 HydrophobicContact CG1-CG 3.7Å; L120-L123 PolarHBondContact O-N 3.38Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.92Å; L123-I129 HydrophobicContact CD1-CD1 4.46Å; L123-I129 HydrophobicContact CD1-CG1 3.95Å; L123-I129 HydrophobicContact CD2-CG1 4.26Å; L123-L132 HydrophobicContact CD2-CD1 4.22Å; L123-L140 HydrophobicContact CD1-CD1 4.34Å; L123-L140 HydrophobicContact CD1-CD2 3.8Å; L123-W165 PolarHBondContact O-NE1 3.31Å
124M62.3Low71.8Confident159 Ų15984 Ų8478%0.78342%0.418SS*.  trans-74.4-26.1-178-63.1-176.662.200113.4D122D122-M124 PolarHBondContact O-N 3.02Å
125S76Confident73.6Confident37 Ų3785.8 Ų85.826%0.25941%0.413SS..SBendtrans-151.4162.4-174.565.80000112.9E127 S128S125-E127 PolarHBondContact O-N 2.76Å; S125-S128 VanDerWaalsContact O-CB 3.25Å; S125-S128 WeakPolarHBondContact O-CB 3.24Å; S125-S128 PolarHBondContact O-N 2.95Å; S125-S128 VanDerWaalsContact O-N 3.11Å; S125-S128 PolarHBondContact OG-N 3.11Å; S125-S128 PolarHBondContact OG-OG 2.88Å
126E83Confident75.4Confident54 Ų5481 Ų8125%0.25239%0.393SS..Hα-helixtrans-60.8-29.1171-66.7-169.6-163.800112.9S128 I129 K162 W165 R166E126-S128 VanDerWaalsContact C-N 3.28Å; E126-S128 PolarHBondContact O-N 2.91Å; E126-I129 WeakPolarHBondContact O-CB 3.3Å; E126-I129 PolarHBondContact O-N 3.44Å; E126-K162 HydrophobicContact CB-CD 4.29Å; E126-K162 HydrophobicContact CB-CG 4.27Å; E126-K162 HydrophobicContact CG-CG 4.45Å; E126-K162 IonicContact OE2-NZ 2.7Å; E126-W165 HydrophobicContact CG-CE3 3.63Å; E126-W165 HydrophobicContact CG-CH2 4.38Å; E126-W165 HydrophobicContact CG-CZ3 3.54Å; E126-R166 WeakPolarHBondContact OE1-CG 3.39Å; E126-R166 IonicContact OE1-CZ 3.32Å; E126-R166 IonicContact OE1-NE 3.36Å; E126-R166 PolarHBondContact OE1-NE 2.9Å; E126-R166 IonicContact OE1-NH2 3.44Å; E126-R166 PolarHBondContact OE1-NH2 3.39Å; E126-R166 IonicContact OE2-CZ 3.39Å; E126-R166 IonicContact OE2-NE 2.73Å; E126-R166 IonicContact OE2-NH2 3.58Å; E126-R166 PolarHBondContact OE2-NH2 2.74Å
127E81.3Confident77.1Confident136 Ų13669.4 Ų69.464%0.63635%0.35SS*.Hα-helixtrans-66.2-32.8176.1-62174.6176.500111.4S125 I129 E130 N131S125-E127 PolarHBondContact O-N 2.76Å; E127-I129 PolarHBondContact O-N 3.38Å; E127-E130 PolarHBondContact O-N 3.39Å; E127-E130 VanDerWaalsContact O-N 3.09Å; E127-N131 PolarHBondContact O-N 2.9Å; E127-N131 PolarHBondContact O-ND2 3.07Å
128S83.5Confident78.3Confident36 Ų3669.8 Ų69.825%0.25235%0.348SS..Hα-helixtrans-60.1-30.1175.6-55.80000111.4S125 E126 L132S125-S128 VanDerWaalsContact O-CB 3.25Å; S125-S128 WeakPolarHBondContact O-CB 3.24Å; S125-S128 PolarHBondContact O-N 2.95Å; S125-S128 VanDerWaalsContact O-N 3.11Å; S125-S128 PolarHBondContact OG-N 3.11Å; S125-S128 PolarHBondContact OG-OG 2.88Å; E126-S128 VanDerWaalsContact C-N 3.28Å; E126-S128 PolarHBondContact O-N 2.91Å; S128-L132 WeakPolarHBondContact O-CG 3.46Å
129I84.6Confident79.1Confident0 Ų070.9 Ų70.90%035%0.352CS..Hα-helixtrans-73.5-35.5178.4-57.8172.6000111.2L123 E126 E127 N131 L132 I158 A161 K162 W165L123-I129 HydrophobicContact CD1-CD1 4.46Å; L123-I129 HydrophobicContact CD1-CG1 3.95Å; L123-I129 HydrophobicContact CD2-CG1 4.26Å; E126-I129 WeakPolarHBondContact O-CB 3.3Å; E126-I129 PolarHBondContact O-N 3.44Å; E127-I129 PolarHBondContact O-N 3.38Å; I129-N131 PolarHBondContact O-N 3.02Å; I129-L132 WeakPolarHBondContact O-CB 3.18Å; I129-L132 PolarHBondContact O-N 3.09Å; I129-I158 HydrophobicContact CG2-CG2 4.45Å; I129-A161 HydrophobicContact CG2-CB 3.51Å; I129-K162 HydrophobicContact CB-CG 4.42Å; I129-K162 HydrophobicContact CD1-CG 4.06Å; I129-K162 HydrophobicContact CG2-CG 4.33Å; I129-W165 HydrophobicContact CD1-CB 3.55Å; I129-W165 HydrophobicContact CD1-CG 3.87Å
130E86.5Confident79.7Confident89 Ų8966.2 Ų66.242%0.41633%0.332SS..Hα-helixtrans-65.4-32.3178.8-61.8-174.718000112.2E127 L132 K154 I158 K162E127-E130 PolarHBondContact O-N 3.39Å; E127-E130 VanDerWaalsContact O-N 3.09Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.4Å; E130-K154 PolarHBondContact O-NZ 3.37Å; E130-I158 HydrophobicContact CG-CG2 4.11Å; E130-K162 VanDerWaalsContact OE1-CE 3.3Å; E130-K162 WeakPolarHBondContact OE1-CE 3.27Å; E130-K162 IonicContact OE1-NZ 2.61Å; E130-K162 PolarHBondContact OE1-NZ 2.95Å
131N84.1Confident80.1Confident139 Ų13965.7 Ų65.774%0.74333%0.33SS*.THydrogen-bonded Turntrans-78.9-8.3178.3-66.8-36.3000113.7E127 I129E127-N131 PolarHBondContact O-N 2.9Å; E127-N131 PolarHBondContact O-ND2 3.07Å; I129-N131 PolarHBondContact O-N 3.02Å
132L82.6Confident80.2Confident14 Ų1461.6 Ų61.67%0.07331%0.314CS..SBendtrans-71.9144.9174.2-63.2-178000111.3V118 L123 S128 I129 E130 Q136 I137 L140 K154V118-L132 HydrophobicContact CG1-CD1 4.15Å; V118-L132 HydrophobicContact CG1-CD2 4.18Å; V118-L132 HydrophobicContact CG2-CD2 3.86Å; L123-L132 HydrophobicContact CD2-CD1 4.22Å; S128-L132 WeakPolarHBondContact O-CG 3.46Å; I129-L132 WeakPolarHBondContact O-CB 3.18Å; I129-L132 PolarHBondContact O-N 3.09Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.4Å; L132-Q136 HydrophobicContact CB-CB 4.03Å; L132-Q136 HydrophobicContact CD2-CB 4.2Å; L132-Q136 HydrophobicContact CG-CB 4.47Å; L132-I137 HydrophobicContact CB-CD1 4.22Å; L132-I137 HydrophobicContact CB-CG1 3.59Å; L132-I137 HydrophobicContact CD1-CG1 4.25Å; L132-L140 HydrophobicContact CD1-CD2 4.42Å; L132-K154 WeakPolarHBondContact O-CE 3.47Å; L132-K154 PolarHBondContact O-NZ 3.35Å
133S83.8Confident80.4Confident54 Ų5463.7 Ų63.738%0.37832%0.315SS..  trans-66153.7167.264.80000110.7R135 Q136 I137S133-R135 PolarHBondContact O-N 3.3Å; S133-R135 VanDerWaalsContact O-N 3.09Å; S133-Q136 PolarHBondContact O-N 2.96Å; S133-Q136 VanDerWaalsContact OG-CG 3.29Å; S133-Q136 WeakPolarHBondContact OG-CG 3.27Å; S133-Q136 PolarHBondContact OG-N 2.87Å; S133-Q136 PolarHBondContact OG-OE1 3.43Å; S133-I137 WeakPolarHBondContact O-CG1 3.44Å; S133-I137 PolarHBondContact O-N 3.46Å
134V84.9Confident80.5Confident59 Ų5965.6 Ų65.636%0.35833%0.325SS..Hα-helixtrans-51.3-36.6174.5173.40000111.4K138 K154 L157V134-K138 HydrophobicContact CG1-CD 4.27Å; V134-K138 WeakPolarHBondContact O-CB 3.44Å; V134-K138 WeakPolarHBondContact O-CG 3.28Å; V134-K138 PolarHBondContact O-N 2.87Å; V134-K154 HydrophobicContact CG2-CB 4.18Å; V134-K154 HydrophobicContact CG2-CD 4.06Å; V134-K154 HydrophobicContact CG2-CG 3.87Å; V134-L157 HydrophobicContact CG1-CD1 3.75Å
135R77.9Confident81.2Confident141 Ų14164.5 Ų64.553%0.53232%0.317SS..Hα-helixtrans-63.3-53.5175-177.5176.7-179.6165.25.8111.7S133 I137 K138 D139S133-R135 PolarHBondContact O-N 3.3Å; S133-R135 VanDerWaalsContact O-N 3.09Å; R135-I137 VanDerWaalsContact C-N 3.26Å; R135-I137 PolarHBondContact O-N 3.24Å; R135-K138 PolarHBondContact O-N 3.44Å; R135-K138 VanDerWaalsContact O-N 3.11Å; R135-D139 WeakPolarHBondContact CG-OD2 3.18Å; R135-D139 WeakPolarHBondContact O-CB 3.25Å; R135-D139 PolarHBondContact O-N 3.39Å
136Q82Confident81.2Confident71 Ų7164.4 Ų64.433%0.33231%0.314SS..Hα-helixtrans-59.6-36.5178.4-73.6164.9-59.200112.5V118 L132 S133 L140V118-Q136 HydrophobicContact CG2-CG 4.41Å; L132-Q136 HydrophobicContact CB-CB 4.03Å; L132-Q136 HydrophobicContact CD2-CB 4.2Å; L132-Q136 HydrophobicContact CG-CB 4.47Å; S133-Q136 PolarHBondContact O-N 2.96Å; S133-Q136 VanDerWaalsContact OG-CG 3.29Å; S133-Q136 WeakPolarHBondContact OG-CG 3.27Å; S133-Q136 PolarHBondContact OG-N 2.87Å; S133-Q136 PolarHBondContact OG-OE1 3.43Å; Q136-L140 VanDerWaalsContact O-CB 3.27Å; Q136-L140 WeakPolarHBondContact O-CB 3.01Å; Q136-L140 PolarHBondContact O-N 3.19Å
137I84.8Confident80.9Confident0 Ų065.8 Ų65.80%032%0.323CS..Hα-helixtrans-65.9-47.1175.3-61167.9000110.3L132 S133 R135 D139 L140 L141 L157 I158 A161L132-I137 HydrophobicContact CB-CD1 4.22Å; L132-I137 HydrophobicContact CB-CG1 3.59Å; L132-I137 HydrophobicContact CD1-CG1 4.25Å; S133-I137 WeakPolarHBondContact O-CG1 3.44Å; S133-I137 PolarHBondContact O-N 3.46Å; R135-I137 VanDerWaalsContact C-N 3.26Å; R135-I137 PolarHBondContact O-N 3.24Å; I137-D139 VanDerWaalsContact C-N 3.35Å; I137-D139 PolarHBondContact O-N 2.83Å; I137-L140 WeakPolarHBondContact O-CB 3.24Å; I137-L140 PolarHBondContact O-N 3.34Å; I137-L141 HydrophobicContact CG2-CD1 3.95Å; I137-L141 HydrophobicContact CG2-CG 4.36Å; I137-L141 VanDerWaalsContact O-CG 3.23Å; I137-L141 WeakPolarHBondContact O-CG 3.41Å; I137-L141 PolarHBondContact O-N 3.37Å; I137-L157 HydrophobicContact CG2-CB 3.78Å; I137-L157 WeakPolarHBondContact CG2-O 3.47Å; I137-I158 HydrophobicContact CD1-CG1 3.66Å; I137-A161 HydrophobicContact CG2-CB 3.84Å
138K81.7Confident81.1Confident85 Ų8560.9 Ų60.937%0.3730%0.3SS..Hα-helixtrans-60.8-44.9175.9-74.6-179.9177.6-174.50111.2V134 R135 L140 L141 V142 F148 L157V134-K138 HydrophobicContact CG1-CD 4.27Å; V134-K138 WeakPolarHBondContact O-CB 3.44Å; V134-K138 WeakPolarHBondContact O-CG 3.28Å; V134-K138 PolarHBondContact O-N 2.87Å; R135-K138 PolarHBondContact O-N 3.44Å; R135-K138 VanDerWaalsContact O-N 3.11Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 3.02Å; K138-L141 PolarHBondContact O-N 3.22Å; K138-V142 WeakPolarHBondContact O-CB 3.37Å; K138-V142 VanDerWaalsContact O-CG2 3.27Å; K138-V142 WeakPolarHBondContact O-CG2 3.46Å; K138-V142 PolarHBondContact O-N 2.8Å; K138-F148 HydrophobicContact CB-CE2 4.29Å; K138-F148 HydrophobicContact CB-CZ 4.14Å; K138-F148 HydrophobicContact CD-CE2 4.03Å; K138-F148 HydrophobicContact CG-CD2 4.25Å; K138-F148 HydrophobicContact CG-CE2 3.79Å; K138-F148 HydrophobicContact CG-CZ 4.14Å; K138-L157 HydrophobicContact CG-CD1 4.15Å; K138-L157 HydrophobicContact CG-CD2 4.22Å
139D78.3Confident81Confident51 Ų5164.5 Ų64.527%0.27332%0.32SS..Hα-helixtrans-59.9-45.3177.7-63.9-19.1000110.6R135 I137 L141 V142 Y143R135-D139 WeakPolarHBondContact CG-OD2 3.18Å; R135-D139 WeakPolarHBondContact O-CB 3.25Å; R135-D139 PolarHBondContact O-N 3.39Å; I137-D139 VanDerWaalsContact C-N 3.35Å; I137-D139 PolarHBondContact O-N 2.83Å; D139-L141 PolarHBondContact O-N 3.22Å; D139-V142 PolarHBondContact O-N 3.09Å; D139-Y143 WeakPolarHBondContact O-CB 3.36Å; D139-Y143 PolarHBondContact O-N 3.13Å
140L83Confident80.9Confident3 Ų371.3 Ų71.32%0.01635%0.352CS..Hα-helixtrans-58.3-45.6174.2-179.972.6000111.9V118 L120 L123 L132 Q136 I137 K138 N144 A161 L164V118-L140 VanDerWaalsContact O-CD1 3.29Å; V118-L140 WeakPolarHBondContact O-CD1 3.33Å; L120-L140 HydrophobicContact CD2-CD1 4.33Å; L120-L140 HydrophobicContact CG-CD1 4.08Å; L123-L140 HydrophobicContact CD1-CD1 4.34Å; L123-L140 HydrophobicContact CD1-CD2 3.8Å; L132-L140 HydrophobicContact CD1-CD2 4.42Å; Q136-L140 VanDerWaalsContact O-CB 3.27Å; Q136-L140 WeakPolarHBondContact O-CB 3.01Å; Q136-L140 PolarHBondContact O-N 3.19Å; I137-L140 WeakPolarHBondContact O-CB 3.24Å; I137-L140 PolarHBondContact O-N 3.34Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 3.02Å; L140-N144 WeakPolarHBondContact O-CB 3.24Å; L140-N144 PolarHBondContact O-N 2.85Å; L140-N144 VanDerWaalsContact O-N 3.13Å; L140-N144 PolarHBondContact O-ND2 2.7Å; L140-A161 HydrophobicContact CD2-CB 4.08Å; L140-L164 HydrophobicContact CG-CD2 4.28Å
141L83.8Confident80.7Confident0 Ų068 Ų680%034%0.339CS..Hα-helixtrans-68.9-44180-66.6172.5000111.8I137 K138 D139 Y143 N144 F145 V146 F148 L157 R160 A161 L164I137-L141 HydrophobicContact CG2-CD1 3.95Å; I137-L141 HydrophobicContact CG2-CG 4.36Å; I137-L141 VanDerWaalsContact O-CG 3.23Å; I137-L141 WeakPolarHBondContact O-CG 3.41Å; I137-L141 PolarHBondContact O-N 3.37Å; K138-L141 PolarHBondContact O-N 3.22Å; D139-L141 PolarHBondContact O-N 3.22Å; L141-Y143 VanDerWaalsContact C-N 3.35Å; L141-Y143 PolarHBondContact O-N 3.16Å; L141-N144 CarbonylContact O-C 3.54Å; L141-N144 PolarHBondContact O-N 3.22Å; L141-F145 PolarHBondContact O-N 2.51Å; L141-V146 HydrophobicContact CB-CB 4.14Å; L141-V146 HydrophobicContact CD2-CB 3.71Å; L141-V146 HydrophobicContact CD2-CG1 3.71Å; L141-V146 HydrophobicContact CD2-CG2 4.16Å; L141-V146 PolarHBondContact O-N 2.87Å; L141-F148 HydrophobicContact CB-CD1 3.57Å; L141-F148 HydrophobicContact CB-CE1 3.9Å; L141-F148 HydrophobicContact CD1-CB 3.96Å; L141-F148 HydrophobicContact CD1-CD1 3.94Å; L141-F148 HydrophobicContact CD1-CG 4.09Å; L141-F148 HydrophobicContact CG-CD1 4.41Å; L141-L157 HydrophobicContact CD1-CD2 3.85Å; L141-R160 HydrophobicContact CD1-CB 4.1Å; L141-R160 HydrophobicContact CD2-CB 4Å; L141-A161 HydrophobicContact CD2-CB 4.22Å; L141-L164 HydrophobicContact CD2-CD2 4.24Å
142V76Confident80.7Confident51 Ų5167.8 Ų67.831%0.30934%0.342SS..Hα-helixtrans-58.9-47.6174.6171.10000110.1K138 D139 N144 F145 F148K138-V142 WeakPolarHBondContact O-CB 3.37Å; K138-V142 VanDerWaalsContact O-CG2 3.27Å; K138-V142 WeakPolarHBondContact O-CG2 3.46Å; K138-V142 PolarHBondContact O-N 2.8Å; D139-V142 PolarHBondContact O-N 3.09Å; V142-N144 PolarHBondContact O-N 3.28Å; V142-F145 PolarHBondContact O-N 2.62Å; V142-F148 HydrophobicContact CG2-CE1 3.49Å; V142-F148 VanDerWaalsContact CG2-CE1 3.49Å; V142-F148 HydrophobicContact CG2-CZ 3.57Å
143Y77Confident81Confident148 Ų14873.1 Ų73.158%0.5837%0.366SS*.Hα-helixtrans-63.2-29.8-178.5-167.8-97.2000112.7D139 L141D139-Y143 WeakPolarHBondContact O-CB 3.36Å; D139-Y143 PolarHBondContact O-N 3.13Å; L141-Y143 VanDerWaalsContact C-N 3.35Å; L141-Y143 PolarHBondContact O-N 3.16Å
144N73.6Confident81.3Confident51 Ų5175 Ų7527%0.27337%0.368SS..THydrogen-bonded Turntrans-99.514.9176.5-69.5-81.4000113.2L120 L140 L141 V142 V146 L164L120-N144 WeakPolarHBondContact CD1-OD1 3.24Å; L140-N144 WeakPolarHBondContact O-CB 3.24Å; L140-N144 PolarHBondContact O-N 2.85Å; L140-N144 VanDerWaalsContact O-N 3.13Å; L140-N144 PolarHBondContact O-ND2 2.7Å; L141-N144 CarbonylContact O-C 3.54Å; L141-N144 PolarHBondContact O-N 3.22Å; V142-N144 PolarHBondContact O-N 3.28Å; N144-V146 HydrophobicContact CB-CG2 4.25Å; N144-V146 PolarHBondContact O-N 3.33Å; N144-V146 VanDerWaalsContact O-N 3.1Å; N144-L164 HydrophobicContact CB-CD1 3.87Å; N144-L164 HydrophobicContact CB-CD2 3.5Å; N144-L164 VanDerWaalsContact CB-CD2 3.5Å; N144-L164 HydrophobicContact CB-CG 4.29Å
145F76.3Confident81.6Confident136 Ų13675.2 Ų75.260%0.59638%0.376SS*.THydrogen-bonded Turntrans52.831.3178.4-55.6-85.4000114.2L141 V142L141-F145 PolarHBondContact O-N 2.51Å; V142-F145 PolarHBondContact O-N 2.62Å
146V76.5Confident82.3Confident34 Ų3472.3 Ų72.321%0.20637%0.368CS..  trans-85.3122.3175.1-178.40000108.5L141 N144 F148 L164L141-V146 HydrophobicContact CB-CB 4.14Å; L141-V146 HydrophobicContact CD2-CB 3.71Å; L141-V146 HydrophobicContact CD2-CG1 3.71Å; L141-V146 HydrophobicContact CD2-CG2 4.16Å; L141-V146 PolarHBondContact O-N 2.87Å; N144-V146 HydrophobicContact CB-CG2 4.25Å; N144-V146 PolarHBondContact O-N 3.33Å; N144-V146 VanDerWaalsContact O-N 3.1Å; V146-F148 VanDerWaalsContact O-CD1 3.28Å; V146-F148 WeakPolarHBondContact O-CD1 3.12Å; V146-F148 PolarHBondContact O-N 3.01Å; V146-L164 HydrophobicContact CG2-CB 4.33Å; V146-L164 HydrophobicContact CG2-CD1 3.75Å; V146-L164 HydrophobicContact CG2-CD2 3.94Å; V146-L164 HydrophobicContact CG2-CG 4.2Å
147D77.1Confident82.7Confident83 Ų8369.2 Ų69.244%0.44435%0.354SS..  trans-68133.7172178.847.2000111.1T149 R160D147-T149 VanDerWaalsContact OD1-CB 3.26Å; D147-T149 WeakPolarHBondContact OD1-CB 3.39Å; D147-T149 PolarHBondContact OD1-N 3.4Å; D147-T149 PolarHBondContact OD1-OG1 3.08Å; D147-R160 PolarHBondContact O-NH1 3.01Å
148F85.9Confident83Confident33 Ų3370.4 Ų70.415%0.14536%0.36CS..  trans-136.320.9174.159.6-90.8000111.4K138 L141 V142 V146 H150 C151 L157K138-F148 HydrophobicContact CB-CE2 4.29Å; K138-F148 HydrophobicContact CB-CZ 4.14Å; K138-F148 HydrophobicContact CD-CE2 4.03Å; K138-F148 HydrophobicContact CG-CD2 4.25Å; K138-F148 HydrophobicContact CG-CE2 3.79Å; K138-F148 HydrophobicContact CG-CZ 4.14Å; L141-F148 HydrophobicContact CB-CD1 3.57Å; L141-F148 HydrophobicContact CB-CE1 3.9Å; L141-F148 HydrophobicContact CD1-CB 3.96Å; L141-F148 HydrophobicContact CD1-CD1 3.94Å; L141-F148 HydrophobicContact CD1-CG 4.09Å; L141-F148 HydrophobicContact CG-CD1 4.41Å; V142-F148 HydrophobicContact CG2-CE1 3.49Å; V142-F148 VanDerWaalsContact CG2-CE1 3.49Å; V142-F148 HydrophobicContact CG2-CZ 3.57Å; V146-F148 VanDerWaalsContact O-CD1 3.28Å; V146-F148 WeakPolarHBondContact O-CD1 3.12Å; V146-F148 PolarHBondContact O-N 3.01Å; F148-H150 PolarHBondContact O-N 3.23Å; F148-H150 VanDerWaalsContact O-N 3.08Å; F148-C151 HydrophobicContact CB-CB 4.1Å; F148-C151 WeakPolarHBondContact O-CB 3.38Å; F148-C151 PolarHBondContact O-N 3.47Å; F148-L157 HydrophobicContact CB-CD2 3.76Å; F148-L157 HydrophobicContact CD2-CD2 3.88Å; F148-L157 HydrophobicContact CG-CD2 3.95Å
149T80.9Confident83.5Confident112 Ų11269 Ų6969%0.68737%0.365SS*.THydrogen-bonded Turntrans-54.6-31.5-178.9-58.90000112.3D147D147-T149 VanDerWaalsContact OD1-CB 3.26Å; D147-T149 WeakPolarHBondContact OD1-CB 3.39Å; D147-T149 PolarHBondContact OD1-N 3.4Å; D147-T149 PolarHBondContact OD1-OG1 3.08Å
150H81.4Confident84Confident144 Ų14471.6 Ų71.667%0.66737%0.37SS*.THydrogen-bonded Turntrans-95.74.9179.4-58.2-59.4000114.4F148 V152F148-H150 PolarHBondContact O-N 3.23Å; F148-H150 VanDerWaalsContact O-N 3.08Å; H150-V152 PolarHBondContact O-N 2.83Å
151C83.9Confident84.4Confident19 Ų1971.4 Ų71.413%0.12837%0.37CS..  trans-86.8105.1177-62.70000110.1F148 E156 L157F148-C151 HydrophobicContact CB-CB 4.1Å; F148-C151 WeakPolarHBondContact O-CB 3.38Å; F148-C151 PolarHBondContact O-N 3.47Å; C151-E156 VanDerWaalsContact CA-OE2 3.26Å; C151-E156 WeakPolarHBondContact CA-OE2 3.42Å; C151-E156 HydrophobicContact CB-CB 3.95Å; C151-L157 HydrophobicContact CB-CD2 3.62Å; C151-L157 HydrophobicContact CB-CG 3.87Å
152V83.9Confident84.8Confident134 Ų13473 Ų7381%0.81238%0.376SS*.  trans-90.1-39179.1-174.20000110.3H150 E156H150-V152 PolarHBondContact O-N 2.83Å; V152-E156 PolarHBondContact N-OE2 3.48Å
153E88.6Confident85.5Confident126 Ų12675 Ų7559%0.58938%0.383SS*.SBendtrans-99.7151.8-174.8-59.5-170.7145.900112.9A155 E156 L157E153-A155 PolarHBondContact O-N 3.04Å; E153-E156 HydrophobicContact CB-CG 4.27Å; E153-E156 PolarHBondContact N-OE2 3.04Å; E153-E156 PolarHBondContact O-N 3.41Å; E153-E156 VanDerWaalsContact O-N 3.1Å; E153-L157 PolarHBondContact O-N 3.02Å
154K89.4Confident86Confident94 Ų9469.2 Ų69.241%0.40936%0.362SS..Hα-helixtrans-56.8-37.3173.8-175.3-176-175.6-156.30111E130 L132 V134 E156 L157 I158E130-K154 PolarHBondContact O-NZ 3.37Å; L132-K154 WeakPolarHBondContact O-CE 3.47Å; L132-K154 PolarHBondContact O-NZ 3.35Å; V134-K154 HydrophobicContact CG2-CB 4.18Å; V134-K154 HydrophobicContact CG2-CD 4.06Å; V134-K154 HydrophobicContact CG2-CG 3.87Å; K154-E156 VanDerWaalsContact C-N 3.3Å; K154-E156 PolarHBondContact O-N 3.17Å; K154-L157 PolarHBondContact O-N 3.27Å; K154-I158 HydrophobicContact CD-CD1 4.2Å; K154-I158 HydrophobicContact CG-CD1 3.89Å; K154-I158 HydrophobicContact CG-CG1 4.24Å; K154-I158 VanDerWaalsContact O-CG1 3.31Å; K154-I158 WeakPolarHBondContact O-CG1 3.39Å; K154-I158 PolarHBondContact O-N 3.48Å
155A91.2Very high86.7Confident64 Ų6467.9 Ų67.953%0.52935%0.353SS..Hα-helixtrans-59.8-39.8178.400000112.2E153 I158 A159E153-A155 PolarHBondContact O-N 3.04Å; A155-I158 PolarHBondContact O-N 3.38Å; A155-A159 WeakPolarHBondContact O-CB 3.16Å; A155-A159 PolarHBondContact O-N 2.73Å
156E92.1Very high87.2Confident80 Ų8065.4 Ų65.437%0.37434%0.339SS..Hα-helixtrans-68.4-41177.2-62.7179.6140.200111.8C151 V152 E153 K154 A159 R160C151-E156 VanDerWaalsContact CA-OE2 3.26Å; C151-E156 WeakPolarHBondContact CA-OE2 3.42Å; C151-E156 HydrophobicContact CB-CB 3.95Å; V152-E156 PolarHBondContact N-OE2 3.48Å; E153-E156 HydrophobicContact CB-CG 4.27Å; E153-E156 PolarHBondContact N-OE2 3.04Å; E153-E156 PolarHBondContact O-N 3.41Å; E153-E156 VanDerWaalsContact O-N 3.1Å; K154-E156 VanDerWaalsContact C-N 3.3Å; K154-E156 PolarHBondContact O-N 3.17Å; E156-A159 PolarHBondContact O-N 2.84Å; E156-R160 WeakPolarHBondContact O-CG 3.48Å; E156-R160 PolarHBondContact O-N 3.46Å
157L91Very high87.6Confident5 Ų566.9 Ų66.93%0.02635%0.346CS..Hα-helixtrans-62.5-44.5174.2-71.6172.5000111.8V134 I137 K138 L141 F148 C151 E153 K154 A159 R160 A161V134-L157 HydrophobicContact CG1-CD1 3.75Å; I137-L157 HydrophobicContact CG2-CB 3.78Å; I137-L157 WeakPolarHBondContact CG2-O 3.47Å; K138-L157 HydrophobicContact CG-CD1 4.15Å; K138-L157 HydrophobicContact CG-CD2 4.22Å; L141-L157 HydrophobicContact CD1-CD2 3.85Å; F148-L157 HydrophobicContact CB-CD2 3.76Å; F148-L157 HydrophobicContact CD2-CD2 3.88Å; F148-L157 HydrophobicContact CG-CD2 3.95Å; C151-L157 HydrophobicContact CB-CD2 3.62Å; C151-L157 HydrophobicContact CB-CG 3.87Å; E153-L157 PolarHBondContact O-N 3.02Å; K154-L157 PolarHBondContact O-N 3.27Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-R160 PolarHBondContact O-N 2.85Å; L157-A161 WeakPolarHBondContact O-CB 3.5Å; L157-A161 PolarHBondContact O-N 3.49Å
158I91.4Very high87.9Confident26 Ų2665.3 Ų65.313%0.13333%0.334CS..Hα-helixtrans-60.3-45.7174.4-69.6168.6000109.9I129 E130 I137 K154 A155 R160 A161 K162I129-I158 HydrophobicContact CG2-CG2 4.45Å; E130-I158 HydrophobicContact CG-CG2 4.11Å; I137-I158 HydrophobicContact CD1-CG1 3.66Å; K154-I158 HydrophobicContact CD-CD1 4.2Å; K154-I158 HydrophobicContact CG-CD1 3.89Å; K154-I158 HydrophobicContact CG-CG1 4.24Å; K154-I158 VanDerWaalsContact O-CG1 3.31Å; K154-I158 WeakPolarHBondContact O-CG1 3.39Å; K154-I158 PolarHBondContact O-N 3.48Å; A155-I158 PolarHBondContact O-N 3.38Å; I158-R160 VanDerWaalsContact C-N 3.31Å; I158-R160 PolarHBondContact O-N 3.2Å; I158-A161 PolarHBondContact O-N 2.78Å; I158-K162 HydrophobicContact CG2-CD 3.95Å; I158-K162 HydrophobicContact CG2-CG 4.13Å; I158-K162 WeakPolarHBondContact O-CB 3.42Å; I158-K162 WeakPolarHBondContact O-CG 3.37Å; I158-K162 PolarHBondContact O-N 3.12Å
159A91.9Very high87.5Confident56 Ų5668.4 Ų68.446%0.46335%0.348SS..Hα-helixtrans-59.8-42.6179.300000111.7A155 E156 L157 Q163A155-A159 WeakPolarHBondContact O-CB 3.16Å; A155-A159 PolarHBondContact O-N 2.73Å; E156-A159 PolarHBondContact O-N 2.84Å; L157-A159 VanDerWaalsContact C-N 3.34Å; A159-Q163 WeakPolarHBondContact O-CB 3.25Å; A159-Q163 PolarHBondContact O-N 3.01Å
160R89.6Confident87.4Confident104 Ų10470.6 Ų70.639%0.39235%0.35SS..Hα-helixtrans-63.8-43.8174.5-70.3-66.6176.2104.7-3.3112.4L141 D147 E156 L157 I158 Q163 L164L141-R160 HydrophobicContact CD1-CB 4.1Å; L141-R160 HydrophobicContact CD2-CB 4Å; D147-R160 PolarHBondContact O-NH1 3.01Å; E156-R160 WeakPolarHBondContact O-CG 3.48Å; E156-R160 PolarHBondContact O-N 3.46Å; L157-R160 PolarHBondContact O-N 2.85Å; I158-R160 VanDerWaalsContact C-N 3.31Å; I158-R160 PolarHBondContact O-N 3.2Å; R160-Q163 PolarHBondContact O-N 3.23Å; R160-L164 WeakPolarHBondContact O-CB 3.39Å; R160-L164 PolarHBondContact O-N 3.45Å
161A91.2Very high86.6Confident0 Ų070.7 Ų70.70%035%0.351CS..Hα-helixtrans-68.3-39.5178.600000112.7I129 I137 L140 L141 L157 I158 Q163 L164 W165I129-A161 HydrophobicContact CG2-CB 3.51Å; I137-A161 HydrophobicContact CG2-CB 3.84Å; L140-A161 HydrophobicContact CD2-CB 4.08Å; L141-A161 HydrophobicContact CD2-CB 4.22Å; L157-A161 WeakPolarHBondContact O-CB 3.5Å; L157-A161 PolarHBondContact O-N 3.49Å; I158-A161 PolarHBondContact O-N 2.78Å; A161-Q163 VanDerWaalsContact C-N 3.33Å; A161-Q163 PolarHBondContact O-N 2.86Å; A161-L164 WeakPolarHBondContact O-CB 3.26Å; A161-L164 PolarHBondContact O-N 3.29Å; A161-W165 WeakPolarHBondContact O-CB 3.42Å; A161-W165 PolarHBondContact O-N 3.08Å
162K92.3Very high85.5Confident33 Ų3373.8 Ų73.814%0.14336%0.363CS..Hα-helixtrans-60.6-42.9171.3-75.6-175.9173.5-159.30111.4E126 I129 E130 I158 W165 R166E126-K162 HydrophobicContact CB-CD 4.29Å; E126-K162 HydrophobicContact CB-CG 4.27Å; E126-K162 HydrophobicContact CG-CG 4.45Å; E126-K162 IonicContact OE2-NZ 2.7Å; I129-K162 HydrophobicContact CB-CG 4.42Å; I129-K162 HydrophobicContact CD1-CG 4.06Å; I129-K162 HydrophobicContact CG2-CG 4.33Å; E130-K162 VanDerWaalsContact OE1-CE 3.3Å; E130-K162 WeakPolarHBondContact OE1-CE 3.27Å; E130-K162 IonicContact OE1-NZ 2.61Å; E130-K162 PolarHBondContact OE1-NZ 2.95Å; I158-K162 HydrophobicContact CG2-CD 3.95Å; I158-K162 HydrophobicContact CG2-CG 4.13Å; I158-K162 WeakPolarHBondContact O-CB 3.42Å; I158-K162 WeakPolarHBondContact O-CG 3.37Å; I158-K162 PolarHBondContact O-N 3.12Å; K162-W165 PolarHBondContact O-N 3Å; K162-R166 WeakPolarHBondContact O-CG 3.41Å; K162-R166 PolarHBondContact O-N 2.92Å
163Q90.4Very high83.8Confident94 Ų9471.4 Ų71.444%0.43935%0.351SS..Hα-helixtrans-62.7-44.7176.7-171.264.34.600111.8A159 R160 A161 W165 R166 N167A159-Q163 WeakPolarHBondContact O-CB 3.25Å; A159-Q163 PolarHBondContact O-N 3.01Å; R160-Q163 PolarHBondContact O-N 3.23Å; A161-Q163 VanDerWaalsContact C-N 3.33Å; A161-Q163 PolarHBondContact O-N 2.86Å; Q163-W165 VanDerWaalsContact C-N 3.31Å; Q163-W165 PolarHBondContact O-N 2.78Å; Q163-R166 PolarHBondContact O-N 2.97Å; Q163-N167 WeakPolarHBondContact O-CB 3.47Å; Q163-N167 VanDerWaalsContact O-CG 3.25Å; Q163-N167 PolarHBondContact O-N 3.29Å; Q163-N167 PolarHBondContact O-ND2 2.89Å
164L88.3Confident81.6Confident26 Ų2671.2 Ų71.214%0.13636%0.36CS..Hα-helixtrans-56.8-45.1173.3174.764.9000111.4L120 L140 L141 N144 V146 R160 A161 N167 Y168L120-L164 HydrophobicContact CD1-CD1 4.15Å; L120-L164 HydrophobicContact CD1-CD2 4.15Å; L120-L164 HydrophobicContact CD1-CG 3.98Å; L120-L164 HydrophobicContact CD2-CD2 4.07Å; L120-L164 HydrophobicContact CD2-CG 3.89Å; L120-L164 HydrophobicContact CG-CD2 4.43Å; L120-L164 HydrophobicContact CG-CG 4.48Å; L140-L164 HydrophobicContact CG-CD2 4.28Å; L141-L164 HydrophobicContact CD2-CD2 4.24Å; N144-L164 HydrophobicContact CB-CD1 3.87Å; N144-L164 HydrophobicContact CB-CD2 3.5Å; N144-L164 VanDerWaalsContact CB-CD2 3.5Å; N144-L164 HydrophobicContact CB-CG 4.29Å; V146-L164 HydrophobicContact CG2-CB 4.33Å; V146-L164 HydrophobicContact CG2-CD1 3.75Å; V146-L164 HydrophobicContact CG2-CD2 3.94Å; V146-L164 HydrophobicContact CG2-CG 4.2Å; R160-L164 WeakPolarHBondContact O-CB 3.39Å; R160-L164 PolarHBondContact O-N 3.45Å; A161-L164 WeakPolarHBondContact O-CB 3.26Å; A161-L164 PolarHBondContact O-N 3.29Å; L164-N167 PolarHBondContact O-N 3.38Å; L164-Y168 WeakPolarHBondContact O-CB 3.14Å; L164-Y168 PolarHBondContact O-N 2.8Å
165W87.9Confident79.3Confident23 Ų2374.2 Ų74.29%0.08738%0.379CS..Hα-helixtrans-67.9-40179.5-175.889.4000113.8L120 L123 E126 I129 A161 K162 Q163 Y168 K169L120-W165 HydrophobicContact CD2-CB 4.14Å; L123-W165 PolarHBondContact O-NE1 3.31Å; E126-W165 HydrophobicContact CG-CE3 3.63Å; E126-W165 HydrophobicContact CG-CH2 4.38Å; E126-W165 HydrophobicContact CG-CZ3 3.54Å; I129-W165 HydrophobicContact CD1-CB 3.55Å; I129-W165 HydrophobicContact CD1-CG 3.87Å; A161-W165 WeakPolarHBondContact O-CB 3.42Å; A161-W165 PolarHBondContact O-N 3.08Å; K162-W165 PolarHBondContact O-N 3Å; Q163-W165 VanDerWaalsContact C-N 3.31Å; Q163-W165 PolarHBondContact O-N 2.78Å; W165-Y168 WeakPolarHBondContact O-CB 3.5Å; W165-Y168 PolarHBondContact O-N 3.34Å; W165-K169 HydrophobicContact CD2-CG 4.2Å; W165-K169 HydrophobicContact CE3-CG 4.31Å; W165-K169 HydrophobicContact CH2-CD 3.77Å; W165-K169 HydrophobicContact CH2-CG 4.04Å; W165-K169 HydrophobicContact CZ2-CD 3.8Å; W165-K169 HydrophobicContact CZ2-CG 3.92Å; W165-K169 HydrophobicContact CZ3-CD 4.32Å; W165-K169 HydrophobicContact CZ3-CG 4.21Å; W165-K169 PolarHBondContact O-N 2.98Å
166R86.9Confident76.7Confident83 Ų8379.3 Ų79.331%0.31339%0.39SS..Hα-helixtrans-61.7-46.1173.7-71.4179.9-160.1120.83.9111.5E126 K162 Q163 Y168 K169 Q170E126-R166 WeakPolarHBondContact OE1-CG 3.39Å; E126-R166 IonicContact OE1-CZ 3.32Å; E126-R166 IonicContact OE1-NE 3.36Å; E126-R166 PolarHBondContact OE1-NE 2.9Å; E126-R166 IonicContact OE1-NH2 3.44Å; E126-R166 PolarHBondContact OE1-NH2 3.39Å; E126-R166 IonicContact OE2-CZ 3.39Å; E126-R166 IonicContact OE2-NE 2.73Å; E126-R166 IonicContact OE2-NH2 3.58Å; E126-R166 PolarHBondContact OE2-NH2 2.74Å; K162-R166 WeakPolarHBondContact O-CG 3.41Å; K162-R166 PolarHBondContact O-N 2.92Å; Q163-R166 PolarHBondContact O-N 2.97Å; R166-Y168 VanDerWaalsContact C-N 3.25Å; R166-Y168 PolarHBondContact O-N 3.41Å; R166-K169 PolarHBondContact O-N 3.19Å; R166-Q170 WeakPolarHBondContact O-CG 3.16Å; R166-Q170 PolarHBondContact O-N 2.82Å
167N84.8Confident73.8Confident66 Ų6684.2 Ų84.235%0.35341%0.413SS..Hα-helixtrans-60-39.9175.5-70.9-20.7000111Q163 L164 Q171Q163-N167 WeakPolarHBondContact O-CB 3.47Å; Q163-N167 VanDerWaalsContact O-CG 3.25Å; Q163-N167 PolarHBondContact O-N 3.29Å; Q163-N167 PolarHBondContact O-ND2 2.89Å; L164-N167 PolarHBondContact O-N 3.38Å; N167-Q171 VanDerWaalsContact O-CG 3.26Å; N167-Q171 WeakPolarHBondContact O-CG 2.96Å; N167-Q171 PolarHBondContact O-N 3.1Å
168Y82.3Confident71.1Confident50 Ų5087.8 Ų87.820%0.19644%0.435CS..Hα-helixtrans-63.1-47.8175.5-178.5-108000112.4L120 E121 L164 W165 R166 Q171 Q172L120-Y168 HydrophobicContact CB-CD1 3.8Å; L120-Y168 HydrophobicContact CB-CD2 4.24Å; L120-Y168 HydrophobicContact CB-CE1 3.93Å; L120-Y168 HydrophobicContact CB-CE2 4.39Å; L120-Y168 HydrophobicContact CB-CG 3.97Å; L120-Y168 HydrophobicContact CD1-CD2 4.02Å; L120-Y168 HydrophobicContact CD1-CG 4.07Å; L120-Y168 HydrophobicContact CG-CG 4.43Å; E121-Y168 HydrophobicContact CG-CE1 4.35Å; E121-Y168 WeakPolarHBondContact CG-OH 3.49Å; L164-Y168 WeakPolarHBondContact O-CB 3.14Å; L164-Y168 PolarHBondContact O-N 2.8Å; W165-Y168 WeakPolarHBondContact O-CB 3.5Å; W165-Y168 PolarHBondContact O-N 3.34Å; R166-Y168 VanDerWaalsContact C-N 3.25Å; R166-Y168 PolarHBondContact O-N 3.41Å; Y168-Q171 PolarHBondContact O-N 3.26Å; Y168-Q172 VanDerWaalsContact CD1-NE2 3.33Å; Y168-Q172 HydrophobicContact CE1-CG 4.46Å; Y168-Q172 PolarHBondContact O-N 3.41Å
169K78.8Confident68.4Low97 Ų9795.6 Ų95.642%0.42247%0.471SS..Hα-helixtrans-63.8-39177.4-83.3-121.7170.7167.80113.3W165 R166 Q171 Q172W165-K169 HydrophobicContact CD2-CG 4.2Å; W165-K169 HydrophobicContact CE3-CG 4.31Å; W165-K169 HydrophobicContact CH2-CD 3.77Å; W165-K169 HydrophobicContact CH2-CG 4.04Å; W165-K169 HydrophobicContact CZ2-CD 3.8Å; W165-K169 HydrophobicContact CZ2-CG 3.92Å; W165-K169 HydrophobicContact CZ3-CD 4.32Å; W165-K169 HydrophobicContact CZ3-CG 4.21Å; W165-K169 PolarHBondContact O-N 2.98Å; R166-K169 PolarHBondContact O-N 3.19Å; K169-Q171 PolarHBondContact O-N 3.09Å; K169-Q172 PolarHBondContact O-N 3.12Å
170Q77.3Confident65.7Low158 Ų158101.8 Ų101.874%0.73849%0.49SS*.Hα-helixtrans-66.4-25.2175.7-72.21769.800112.8R166R166-Q170 WeakPolarHBondContact O-CG 3.16Å; R166-Q170 PolarHBondContact O-N 2.82Å
171Q65.6Low63Low147 Ų147101.3 Ų101.369%0.68751%0.508SS*.THydrogen-bonded Turntrans-89.4-6.1177.2-70.217713.900113.6N167 Y168 K169N167-Q171 VanDerWaalsContact O-CG 3.26Å; N167-Q171 WeakPolarHBondContact O-CG 2.96Å; N167-Q171 PolarHBondContact O-N 3.1Å; Y168-Q171 PolarHBondContact O-N 3.26Å; K169-Q171 PolarHBondContact O-N 3.09Å
172Q61.2Low60.7Low83 Ų83108.4 Ų108.439%0.38855%0.551SS.*SBendtrans-76123.3171.4-71.9-179.837.800109.1Y168 K169Y168-Q172 VanDerWaalsContact CD1-NE2 3.33Å; Y168-Q172 HydrophobicContact CE1-CG 4.46Å; Y168-Q172 PolarHBondContact O-N 3.41Å; K169-Q172 PolarHBondContact O-N 3.12Å
173P47.5Very low57.9Low85 Ų85115.4 Ų115.455%0.55258%0.584SS**PPolyproline II helixtrans-62.1142.8171.825.8-30.9000109.4I175P173-I175 PolarHBondContact O-N 3.28Å; P173-I175 VanDerWaalsContact O-N 3.16Å
174P41.6Very low55.7Low121 Ų121118 Ų11879%0.78661%0.606SS**PPolyproline II helixtrans-58123.517024.3-30.4000108F176P174-F176 PolarHBondContact O-N 3.49Å
175I41.7Very low53.4Low157 Ų157126.1 Ų126.181%0.80564%0.644SS**  trans-68.198.6175.4-38.7170.6000105.4P173 E177P173-I175 PolarHBondContact O-N 3.28Å; P173-I175 VanDerWaalsContact O-N 3.16Å; I175-E177 PolarHBondContact O-N 2.99Å
176F36.7Very low50.7Low171 Ų171130.9 Ų130.975%0.7567%0.671SS**  trans-80.896.2173.8-157-107.9000106.9P174 T178P174-F176 PolarHBondContact O-N 3.49Å; F176-T178 VanDerWaalsContact C-N 3.26Å; F176-T178 HydrophobicContact CD1-CG2 3.64Å; F176-T178 WeakPolarHBondContact CD1-OG1 3.29Å; F176-T178 HydrophobicContact CE1-CG2 3.19Å; F176-T178 WeakPolarHBondContact CE1-OG1 3.27Å; F176-T178 HydrophobicContact CZ-CG2 3.81Å; F176-T178 PolarHBondContact O-N 2.6Å
177E30.6Very low48.9Very low183 Ų183133.1 Ų133.186%0.85570%0.697SS**  trans-65.986.2165-69.2176.8160.700108.6I175I175-E177 PolarHBondContact O-N 2.99Å
178T34.8Very low47.2Very low81 Ų81136.8 Ų136.850%0.49771%0.712SS.*  trans-141.9100.5159.360.10000110.5F176 E180F176-T178 VanDerWaalsContact C-N 3.26Å; F176-T178 HydrophobicContact CD1-CG2 3.64Å; F176-T178 WeakPolarHBondContact CD1-OG1 3.29Å; F176-T178 HydrophobicContact CE1-CG2 3.19Å; F176-T178 WeakPolarHBondContact CE1-OG1 3.27Å; F176-T178 HydrophobicContact CZ-CG2 3.81Å; F176-T178 PolarHBondContact O-N 2.6Å; T178-E180 PolarHBondContact O-N 2.79Å
179H34.2Very low45.5Very low190 Ų190141.6 Ų141.688%0.8874%0.742SS**  trans-47.1118.5132.1-95.4-110.1000107.9
180E36.6Very low43.8Very low186 Ų186141.7 Ų141.787%0.86976%0.761SS**  trans177.8142.5142-97.7165.7137.100110.8T178T178-E180 PolarHBondContact O-N 2.79Å
181A33Very low42.2Very low94 Ų94137.4 Ų137.478%0.77776%0.758SS**  trans-70145.8-163.800000114.3
182V41.6Very low41.1Very low148 Ų148136.8 Ų136.890%0.89777%0.765SS**  trans-137.2132.9149.1-1730000109.1
183E34.2Very low40.5Very low180 Ų180137.9 Ų137.984%0.84178%0.782SS**  trans-75.1143.9-165.6-61.9163.6147.200112.4
184V43.2Very low40.6Very low149 Ų149138.3 Ų138.390%0.90379%0.787SS**  trans-81.5123.3171.7-104.80000109.3
185E40.3Very low40.6Very low197 Ų197139.6 Ų139.692%0.92178%0.782SS**  trans-110.4130.8161.8-74.4-160.2133.100110.8
186D32.3Very low40.7Very low123 Ų123142.9 Ų142.966%0.65878%0.784SS**  trans-86.5144.6-167.9-166.28.6000111Q188D186-Q188 PolarHBondContact OD2-NE2 3.31Å
187C49.5Very low40.5Very low129 Ų129139.9 Ų139.987%0.87278%0.784SS**  trans-144.497.7155.457.10000112.3
188Q47.3Very low41Very low143 Ų143137.3 Ų137.367%0.66878%0.783SS**  trans-65.1140165.6-58.7160.36.300111.5D186D186-Q188 PolarHBondContact OD2-NE2 3.31Å
189N47.4Very low41.6Very low152 Ų152138.5 Ų138.581%0.81380%0.795SS**  trans162.4107.4130.2-86-37.9000109.8
190A43.9Very low41.8Very low99 Ų99137.9 Ų137.982%0.81880%0.798SS**  76.6110.278.800000113.5
191G43Very low41.8Very low67 Ų67138.2 Ų138.269%0.69180%0.796SS**  trans168.476170.600000115.9
192T41.6Very low41.7Very low134 Ų134139 Ų13982%0.82280%0.795SS**  trans18.6139.9133.573.30000117.7
193S49.6Very low41.5Very low106 Ų106138.6 Ų138.674%0.74180%0.795SS**  cis172.3157.518.235.60000107.9
194S49.5Very low41.7Very low94 Ų94133.3 Ų133.366%0.65779%0.789SS**  trans83.2105.3151.5-109.70000121.9
195E42.6Very low41.4Very low148 Ų148132.9 Ų132.969%0.69278%0.782SS**  86.3116.9120.7-69.6177.2123.600122.9
196R42Very low41.9Very low226 Ų226129.2 Ų129.285%0.85377%0.768SS**  trans68.6140.1147.6-69.4177.2-164.1-151.81.4116.1
197C34.2Very low43.1Very low109 Ų109128.5 Ų128.574%0.73676%0.764SS**  cis-160.7171.916.4-114.90000108.5
198P40.8Very low44.7Very low128 Ų128126.8 Ų126.883%0.83175%0.746SS**  trans-85.8126-160.68.96.2000115.5
199S45.7Very low46.7Very low107 Ų107125 Ų12575%0.74874%0.738SS**  trans-152.7115.5160.248.90000106.4K201S199-K201 PolarHBondContact O-N 3.17Å
200D39.2Very low48.8Very low176 Ų176117.8 Ų117.894%0.94170%0.699SS**  trans-56.7135.7-166.6-89.7-45000113.1
201K36.3Very low50.9Low193 Ų193114.7 Ų114.784%0.83968%0.677SS**  trans-68142.8-147-76170.5171.2-171.80114.9S199S199-K201 PolarHBondContact O-N 3.17Å
202C32.2Very low53Low112 Ų112115 Ų11576%0.75766%0.662SS**  trans-42.4141.2167.6-55.40000113.6G204C202-G204 VanDerWaalsContact C-N 3.32Å; C202-G204 PolarHBondContact O-N 3.23Å
203P36.4Very low55.4Low139 Ų139110.3 Ų110.390%0.90363%0.634SS**SBendtrans-72.289.1168.629.9-30000108.6
204G37.8Very low57.2Low69 Ų69111.8 Ų111.871%0.71163%0.631SS**SBendtrans-164.24.8-178.700000115.5C202C202-G204 VanDerWaalsContact C-N 3.32Å; C202-G204 PolarHBondContact O-N 3.23Å
205D37.8Very low59Low139 Ų139115.6 Ų115.674%0.74364%0.639SS**  trans-148.442.5-178.9-146.812.1000110.7N207D205-N207 PolarHBondContact O-N 3.45Å; D205-N207 VanDerWaalsContact O-N 3.11Å
206L50.4Low61.1Low120 Ų120109.8 Ų109.863%0.62862%0.616SS**  trans-73.9100.7165.6-71.7169.9000105.4D208L206-D208 PolarHBondContact O-N 2.91Å; L206-D208 VanDerWaalsContact O-N 3.14Å
207N58.8Low63.4Low109 Ų109102.4 Ų102.458%0.58360%0.597SS**  trans-32.8123.9168.7-79.1-14.7000108.9D205 E209 I218D205-N207 PolarHBondContact O-N 3.45Å; D205-N207 VanDerWaalsContact O-N 3.11Å; N207-E209 PolarHBondContact O-N 3.32Å; N207-I218 VanDerWaalsContact O-CD1 3.25Å; N207-I218 WeakPolarHBondContact O-CD1 3.04Å
208D82.2Confident66.2Low93 Ų9398.3 Ų98.350%0.49757%0.568SS.*SBendtrans-65.26.2-175.9-88-25.8000113.2L206 P217 I218 R256L206-D208 PolarHBondContact O-N 2.91Å; L206-D208 VanDerWaalsContact O-N 3.14Å; D208-P217 CarbonylContact O-C 3.41Å; D208-P217 WeakPolarHBondContact O-CA 3.39Å; D208-P217 WeakPolarHBondContact O-CB 3.41Å; D208-I218 PolarHBondContact O-N 2.78Å; D208-R256 VanDerWaalsContact CB-NH2 3.32Å; D208-R256 VanDerWaalsContact CG-CZ 3.48Å; D208-R256 VanDerWaalsContact CG-NH1 3.34Å; D208-R256 IonicContact OD1-CZ 3.22Å; D208-R256 IonicContact OD1-NH1 3.67Å; D208-R256 IonicContact OD1-NH2 2.66Å; D208-R256 PolarHBondContact OD1-NH2 3.3Å; D208-R256 IonicContact OD2-CZ 3.82Å; D208-R256 IonicContact OD2-NH1 2.76Å; D208-R256 PolarHBondContact OD2-NH1 2.78Å; D208-R256 IonicContact OD2-NH2 3.64Å; D208-R256 PolarHBondContact OD2-NH2 3.17Å
209E90.1Very high68.5Low104 Ų10493.4 Ų93.449%0.48654%0.535SS..BIsolated β-bridgetrans-102.9144.2-177.1-61.9170.9127.300111N207 G211 I218N207-E209 PolarHBondContact O-N 3.32Å; E209-G211 PolarHBondContact O-N 3.01Å; E209-I218 VanDerWaalsContact C-CG1 3.43Å; E209-I218 WeakPolarHBondContact O-CD1 3.07Å; E209-I218 WeakPolarHBondContact O-CG1 3.45Å
210C90.7Very high70.6Confident1 Ų188.3 Ų88.31%0.00750%0.499CS..  trans-55.3120.1176.7175.30000110.4I212 C213 M214 A216 S230 C231 C234C210-I212 PolarHBondContact O-N 2.96Å; C210-I212 PolarHBondContact SG-N 2.98Å; C210-C213 VanDerWaalsContact CB-SG 3.55Å; C210-M214 WeakPolarHBondContact O-CA 3.45Å; C210-M214 PolarHBondContact O-N 2.86Å; C210-A216 WeakPolarHBondContact CB-O 3.41Å; C210-A216 PolarHBondContact N-O 2.8Å; C210-S230 VanDerWaalsContact SG-CA 3.52Å; C210-C231 HydrophobicContact CB-CB 3.99Å; C210-C231 PolarHBondContact SG-N 3.04Å; C210-C234 VanDerWaalsContact SG-SG 3.64Å
211G88Confident73.1Confident34 Ų3481 Ų8135%0.35146%0.461SS..THydrogen-bonded Turntrans-66.94.5177.700000115.3E209 F229E209-G211 PolarHBondContact O-N 3.01Å; G211-F229 PolarHBondContact N-O 3.32Å
212I87.9Confident75.5Confident73 Ų7371.9 Ų71.937%0.37442%0.421SS..THydrogen-bonded Turntrans-110.3-60.9178.9-60176.6000111.1C210 F229 C234 L238C210-I212 PolarHBondContact O-N 2.96Å; C210-I212 PolarHBondContact SG-N 2.98Å; I212-F229 HydrophobicContact CD1-CD1 4.35Å; I212-F229 HydrophobicContact CD1-CE1 4.09Å; I212-F229 HydrophobicContact CG1-CD1 4.22Å; I212-F229 HydrophobicContact CG1-CE1 3.61Å; I212-C234 HydrophobicContact CB-CB 3.86Å; I212-C234 HydrophobicContact CD1-CB 3.9Å; I212-C234 HydrophobicContact CG1-CB 4.39Å; I212-C234 HydrophobicContact CG2-CB 4.03Å; I212-L238 HydrophobicContact CD1-CD1 3.55Å; I212-L238 HydrophobicContact CD1-CD2 3.8Å; I212-L238 HydrophobicContact CD1-CG 3.97Å
213C90.7Very high77.8Confident36 Ų3668.7 Ų68.724%0.24340%0.396CS..THydrogen-bonded Turntrans-85.8-22.3179.3630000112.9C210 E215C210-C213 VanDerWaalsContact CB-SG 3.55Å; C213-E215 HydrophobicContact CB-CB 4.29Å; C213-E215 WeakPolarHBondContact O-CG 3.12Å; C213-E215 PolarHBondContact O-N 2.99Å
214M87.3Confident79.9Confident138 Ų13869 Ų6968%0.6839%0.386SS*.SBendtrans55.418.6-173.4-52.4178.9-177.100113.6C210C210-M214 WeakPolarHBondContact O-CA 3.45Å; C210-M214 PolarHBondContact O-N 2.86Å
215E88.5Confident82.1Confident174 Ų17467.1 Ų67.181%0.81336%0.361SS*.SBendtrans-113.9-43.8-176.9-73.3169.2-170.700112.2C213C213-E215 HydrophobicContact CB-CB 4.29Å; C213-E215 WeakPolarHBondContact O-CG 3.12Å; C213-E215 PolarHBondContact O-N 2.99Å
216A86.7Confident84.4Confident25 Ų2562.6 Ų62.621%0.20735%0.348CS..SBendtrans-101.7151.1-17600000110.5C210 C231C210-A216 WeakPolarHBondContact CB-O 3.41Å; C210-A216 PolarHBondContact N-O 2.8Å; A216-C231 HydrophobicContact CB-CB 3.61Å
217P90Very high86.4Confident72 Ų7259.9 Ų59.947%0.46833%0.332SS..BIsolated β-bridgetrans-67154.117827.4-34.9000112.5D208 N219 C231D208-P217 CarbonylContact O-C 3.41Å; D208-P217 WeakPolarHBondContact O-CA 3.39Å; D208-P217 WeakPolarHBondContact O-CB 3.41Å; P217-N219 PolarHBondContact O-N 3.29Å; P217-C231 WeakPolarHBondContact O-CB 3.49Å
218I91.7Very high87.9Confident22 Ų2258.4 Ų58.411%0.11332%0.323CS..  trans-64104.5168.2-56.6-178.6000107.9N207 D208 E209 L228N207-I218 VanDerWaalsContact O-CD1 3.25Å; N207-I218 WeakPolarHBondContact O-CD1 3.04Å; D208-I218 PolarHBondContact O-N 2.78Å; E209-I218 VanDerWaalsContact C-CG1 3.43Å; E209-I218 WeakPolarHBondContact O-CD1 3.07Å; E209-I218 WeakPolarHBondContact O-CG1 3.45Å; I218-L228 HydrophobicContact CG2-CB 3.76Å
219N90.6Very high88.4Confident25 Ų2556 Ų5613%0.13431%0.309CS..  trans-130.420.9-176.467.36.4000112.2P217 C231 V232 R253 T254P217-N219 PolarHBondContact O-N 3.29Å; N219-C231 WeakPolarHBondContact OD1-CA 3.36Å; N219-V232 WeakPolarHBondContact OD1-CG2 3.35Å; N219-V232 PolarHBondContact OD1-N 2.74Å; N219-R253 CarbonylContact O-C 3.41Å; N219-R253 VanDerWaalsContact O-CA 3.26Å; N219-R253 WeakPolarHBondContact O-CA 3.45Å; N219-R253 WeakPolarHBondContact O-CG 3.42Å; N219-T254 WeakPolarHBondContact CA-OG1 3.46Å; N219-T254 PolarHBondContact O-N 3.31Å; N219-T254 PolarHBondContact O-OG1 2.67Å
220C88.6Confident88.5Confident0 Ų051.1 Ų51.10%029%0.286CS..EExtended strand (participates in β ladder)trans-139.8151.5173.584.40000112.9S230 V232 I251 V252C220-S230 PolarHBondContact N-O 2.71Å; C220-S230 PolarHBondContact SG-O 3.26Å; C220-S230 PolarHBondContact SG-OG 3.2Å; C220-S230 VanDerWaalsContact SG-OG 3.39Å; C220-V232 HydrophobicContact CB-CB 4.39Å; C220-V232 HydrophobicContact CB-CG2 3.6Å; C220-I251 HydrophobicContact CB-CG2 3.5Å; C220-I251 VanDerWaalsContact CB-CG2 3.5Å; C220-V252 CarbonylContact C-O 3.55Å; C220-V252 VanDerWaalsContact CA-O 3.28Å; C220-V252 WeakPolarHBondContact CA-O 3.3Å
221V91.6Very high88.5Confident24 Ų2451.1 Ų51.115%0.14529%0.286CS..EExtended strand (participates in β ladder)trans-116.1135171.962.50000109.2L223 L228 V252 T254V221-L223 HydrophobicContact CG1-CD2 4.21Å; V221-L228 HydrophobicContact CB-CG 4.31Å; V221-L228 HydrophobicContact CG2-CD1 4.43Å; V221-L228 HydrophobicContact CG2-CG 4.42Å; V221-V252 HydrophobicContact CG1-CB 4Å; V221-V252 PolarHBondContact N-O 2.99Å; V221-V252 PolarHBondContact O-N 3.16Å; V221-V252 VanDerWaalsContact O-N 3.07Å; V221-T254 HydrophobicContact CB-CG2 3.85Å; V221-T254 HydrophobicContact CG1-CG2 3.8Å
222F87.4Confident88.5Confident0 Ų050.1 Ų50.10%027%0.273CS..EExtended strand (participates in β ladder)trans-83.6117.1171.8-54.8-38.9000109.5G226 H227 F229 S230 L238 C241 I248 I251F222-G226 WeakPolarHBondContact O-CA 3.47Å; F222-G226 PolarHBondContact O-N 3.02Å; F222-H227 HydrophobicContact CD2-CB 4.35Å; F222-H227 PolarHBondContact N-O 2.9Å; F222-F229 HydrophobicContact CE2-CB 4.06Å; F222-S230 VanDerWaalsContact CZ-OG 3.28Å; F222-S230 WeakPolarHBondContact CZ-OG 3.33Å; F222-L238 HydrophobicContact CE1-CD1 4.24Å; F222-L238 HydrophobicContact CE2-CD1 4.33Å; F222-L238 HydrophobicContact CZ-CD1 3.59Å; F222-C241 HydrophobicContact CD2-CB 3.93Å; F222-C241 HydrophobicContact CE2-CB 4.45Å; F222-I248 HydrophobicContact CB-CG1 4.2Å; F222-I248 HydrophobicContact CB-CG2 4.36Å; F222-I248 HydrophobicContact CD1-CD1 3.77Å; F222-I248 HydrophobicContact CD1-CG1 4.13Å; F222-I248 HydrophobicContact CD1-CG2 4Å; F222-I248 HydrophobicContact CD2-CD1 4.11Å; F222-I248 HydrophobicContact CD2-CG1 4.36Å; F222-I248 HydrophobicContact CE1-CD1 3.8Å; F222-I248 HydrophobicContact CE2-CD1 4.14Å; F222-I248 HydrophobicContact CG-CD1 3.92Å; F222-I248 HydrophobicContact CG-CG1 3.97Å; F222-I248 HydrophobicContact CG-CG2 4.39Å; F222-I248 HydrophobicContact CZ-CD1 3.99Å; F222-I251 HydrophobicContact CD1-CD1 4.21Å; F222-I251 HydrophobicContact CD1-CG1 4.04Å; F222-I251 HydrophobicContact CD1-CG2 4.45Å; F222-I251 HydrophobicContact CE1-CD1 4.13Å; F222-I251 HydrophobicContact CE1-CG1 4.44Å
223L80.6Confident88.6Confident45 Ų4551.5 Ų51.524%0.23628%0.281CS..THydrogen-bonded Turntrans-72.4160178.7-63-174.4000111.8V221 C225 R250 V252V221-L223 HydrophobicContact CG1-CD2 4.21Å; L223-C225 PolarHBondContact O-N 2.95Å; L223-C225 VanDerWaalsContact O-N 3.16Å; L223-R250 HydrophobicContact CB-CB 4.34Å; L223-R250 WeakPolarHBondContact CB-O 3.09Å; L223-R250 HydrophobicContact CD1-CB 3.98Å; L223-R250 HydrophobicContact CD1-CG 4.06Å; L223-R250 HydrophobicContact CG-CB 4.48Å; L223-R250 PolarHBondContact N-O 3.5Å; L223-V252 HydrophobicContact CD1-CG2 3.5Å; L223-V252 VanDerWaalsContact CD1-CG2 3.5Å; L223-V252 HydrophobicContact CD2-CG2 4.31Å; L223-V252 HydrophobicContact CG-CG2 3.97Å
224E81.3Confident88.5Confident145 Ų14550.4 Ų50.468%0.67827%0.274SS*.THydrogen-bonded Turntrans72.7-39.1-164.3-52.9-57.7138.400115V249E224-V249 HydrophobicContact CG-CB 4.03Å; E224-V249 HydrophobicContact CG-CG2 3.67Å
225C82.4Confident88.5Confident30 Ų3043.9 Ų43.920%0.20324%0.241CC..THydrogen-bonded Turntrans-103-20.8177.773.50000114.8L223 H227 C244 Q246L223-C225 PolarHBondContact O-N 2.95Å; L223-C225 VanDerWaalsContact O-N 3.16Å; C225-H227 PolarHBondContact O-N 2.99Å; C225-H227 PolarHBondContact O-ND1 3.05Å; C225-H227 PolarHBondContact SG-ND1 3.46Å; C225-H227 VanDerWaalsContact SG-ND1 3.43Å; C225-C244 VanDerWaalsContact CB-SG 3.52Å; C225-Q246 HydrophobicContact CB-CB 3.99Å; C225-Q246 HydrophobicContact CB-CG 4.15Å
226G87.5Confident88.5Confident44 Ų4443.2 Ų43.245%0.45423%0.231SC..  trans73.74.6176.100000115.5F222F222-G226 WeakPolarHBondContact O-CA 3.47Å; F222-G226 PolarHBondContact O-N 3.02Å
227H91.5Very high88.5Confident64 Ų6450.2 Ų50.230%0.29626%0.257SS..  trans-74138.8-177.8-72.2105.2000112.3F222 C225 L243 C244F222-H227 HydrophobicContact CD2-CB 4.35Å; F222-H227 PolarHBondContact N-O 2.9Å; C225-H227 PolarHBondContact O-N 2.99Å; C225-H227 PolarHBondContact O-ND1 3.05Å; C225-H227 PolarHBondContact SG-ND1 3.46Å; C225-H227 VanDerWaalsContact SG-ND1 3.43Å; H227-L243 HydrophobicContact CB-CD1 4.02Å; H227-C244 VanDerWaalsContact CE1-CB 3.47Å; H227-C244 WeakPolarHBondContact CE1-CB 3.29Å; H227-C244 VanDerWaalsContact CE1-SG 3.51Å; H227-C244 PolarHBondContact ND1-SG 3.46Å
228L91.5Very high88.1Confident77 Ų7749.1 Ų49.140%0.40325%0.247SC..BIsolated β-bridgetrans-107.8117.3170.3-63.993.8000107.6I218 V221 T254I218-L228 HydrophobicContact CG2-CB 3.76Å; V221-L228 HydrophobicContact CB-CG 4.31Å; V221-L228 HydrophobicContact CG2-CD1 4.43Å; V221-L228 HydrophobicContact CG2-CG 4.42Å; L228-T254 HydrophobicContact CD2-CG2 4.14Å
229F91.8Very high87.5Confident44 Ų4453.6 Ų53.619%0.19328%0.275CS..  trans-145-33-174.3179.9-104.3000113.7G211 I212 F222 P242 L243G211-F229 PolarHBondContact N-O 3.32Å; I212-F229 HydrophobicContact CD1-CD1 4.35Å; I212-F229 HydrophobicContact CD1-CE1 4.09Å; I212-F229 HydrophobicContact CG1-CD1 4.22Å; I212-F229 HydrophobicContact CG1-CE1 3.61Å; F222-F229 HydrophobicContact CE2-CB 4.06Å; F229-P242 HydrophobicContact CD1-CB 3.82Å; F229-P242 HydrophobicContact CD1-CG 3.6Å; F229-P242 HydrophobicContact CE1-CB 3.52Å; F229-P242 HydrophobicContact CE1-CG 3.55Å; F229-P242 HydrophobicContact CZ-CB 4.01Å; F229-P242 HydrophobicContact CZ-CG 4.5Å; F229-L243 HydrophobicContact CB-CD1 4.09Å; F229-L243 HydrophobicContact CB-CG 4.23Å; F229-L243 HydrophobicContact CD2-CD1 4.15Å; F229-L243 HydrophobicContact CD2-CD2 3.66Å; F229-L243 HydrophobicContact CD2-CG 3.86Å; F229-L243 HydrophobicContact CE2-CD2 3.97Å; F229-L243 HydrophobicContact CG-CD1 4.46Å; F229-L243 HydrophobicContact CG-CD2 4.43Å; F229-L243 HydrophobicContact CG-CG 4.17Å
230S91.3Very high87Confident0 Ų057.2 Ų57.20%029%0.292CS..SBendtrans-126.1163.3-174.368.20000112.4C210 C220 F222 G235C210-S230 VanDerWaalsContact SG-CA 3.52Å; C220-S230 PolarHBondContact N-O 2.71Å; C220-S230 PolarHBondContact SG-O 3.26Å; C220-S230 PolarHBondContact SG-OG 3.2Å; C220-S230 VanDerWaalsContact SG-OG 3.39Å; F222-S230 VanDerWaalsContact CZ-OG 3.28Å; F222-S230 WeakPolarHBondContact CZ-OG 3.33Å; S230-G235 WeakPolarHBondContact OG-CA 3.44Å; S230-G235 PolarHBondContact OG-N 3.37Å
231C92.2Very high86.8Confident2 Ų257.3 Ų57.31%0.01429%0.292CS..  trans-66164.7157.370.40000110.3C210 A216 P217 N219 D233 C234 G235C210-C231 HydrophobicContact CB-CB 3.99Å; C210-C231 PolarHBondContact SG-N 3.04Å; A216-C231 HydrophobicContact CB-CB 3.61Å; P217-C231 WeakPolarHBondContact O-CB 3.49Å; N219-C231 WeakPolarHBondContact OD1-CA 3.36Å; C231-D233 VanDerWaalsContact C-N 3.29Å; C231-D233 PolarHBondContact O-N 3.37Å; C231-C234 PolarHBondContact O-N 2.88Å; C231-C234 PolarHBondContact SG-N 2.9Å; C231-C234 VanDerWaalsContact SG-N 3.39Å; C231-G235 PolarHBondContact O-N 3.03Å
232V87.9Confident86.7Confident12 Ų1259 Ų597%0.07330%0.304CS..Hα-helixtrans-57.2-41.7177.8169.40000111.2N219 C220 G235 R236 R253N219-V232 WeakPolarHBondContact OD1-CG2 3.35Å; N219-V232 PolarHBondContact OD1-N 2.74Å; C220-V232 HydrophobicContact CB-CB 4.39Å; C220-V232 HydrophobicContact CB-CG2 3.6Å; V232-G235 PolarHBondContact O-N 3.33Å; V232-R236 HydrophobicContact CG1-CG 4.33Å; V232-R236 WeakPolarHBondContact O-CB 3.31Å; V232-R236 VanDerWaalsContact O-CG 3.25Å; V232-R236 WeakPolarHBondContact O-CG 3.47Å; V232-R236 PolarHBondContact O-N 3.32Å; V232-R253 HydrophobicContact CG2-CB 3.94Å; V232-R253 HydrophobicContact CG2-CG 3.93Å
233D88.7Confident86.7Confident103 Ų10363 Ų6355%0.55133%0.325SS*.Hα-helixtrans-68.7-38.4-175.4-54.3-53.3000112.8C231 K237C231-D233 VanDerWaalsContact C-N 3.29Å; C231-D233 PolarHBondContact O-N 3.37Å; D233-K237 WeakPolarHBondContact O-CE 3.24Å; D233-K237 WeakPolarHBondContact O-CG 3.25Å
234C88.7Confident87.1Confident13 Ų1363.4 Ų63.49%0.08833%0.331CS..Hα-helixtrans-73.3-42.2172.7-69.90000111C210 I212 C231 R236 K237C210-C234 VanDerWaalsContact SG-SG 3.64Å; I212-C234 HydrophobicContact CB-CB 3.86Å; I212-C234 HydrophobicContact CD1-CB 3.9Å; I212-C234 HydrophobicContact CG1-CB 4.39Å; I212-C234 HydrophobicContact CG2-CB 4.03Å; C231-C234 PolarHBondContact O-N 2.88Å; C231-C234 PolarHBondContact SG-N 2.9Å; C231-C234 VanDerWaalsContact SG-N 3.39Å; C234-R236 VanDerWaalsContact C-N 3.3Å; C234-R236 PolarHBondContact O-N 3.39Å; C234-K237 WeakPolarHBondContact O-CB 3.36Å; C234-K237 PolarHBondContact O-N 3.2Å
235G88.7Confident87.2Confident0 Ų066.3 Ų66.30%034%0.335CS..Hα-helixtrans-56.8-43.7179.400000112.2S230 C231 V232 K237 L238 I251S230-G235 WeakPolarHBondContact OG-CA 3.44Å; S230-G235 PolarHBondContact OG-N 3.37Å; C231-G235 PolarHBondContact O-N 3.03Å; V232-G235 PolarHBondContact O-N 3.33Å; G235-K237 PolarHBondContact O-N 2.78Å; G235-K237 VanDerWaalsContact O-N 3.1Å; G235-L238 WeakPolarHBondContact O-CB 2.92Å; G235-L238 PolarHBondContact O-N 3.39Å; G235-I251 WeakPolarHBondContact O-CD1 3.47Å
236R88.1Confident86.9Confident161 Ų16167.5 Ų67.561%0.60834%0.338SS*.THydrogen-bonded Turntrans-59.9-20.6178.7-76.2176.1-170.7-75.90.5114.3V232 C234V232-R236 HydrophobicContact CG1-CG 4.33Å; V232-R236 WeakPolarHBondContact O-CB 3.31Å; V232-R236 VanDerWaalsContact O-CG 3.25Å; V232-R236 WeakPolarHBondContact O-CG 3.47Å; V232-R236 PolarHBondContact O-N 3.32Å; C234-R236 VanDerWaalsContact C-N 3.3Å; C234-R236 PolarHBondContact O-N 3.39Å
237K87.3Confident86.2Confident172 Ų17267.4 Ų67.475%0.74833%0.331SS*.THydrogen-bonded Turntrans-89.3-5.1179.2-60.1171.7-172176.80112.6D233 C234 G235D233-K237 WeakPolarHBondContact O-CE 3.24Å; D233-K237 WeakPolarHBondContact O-CG 3.25Å; C234-K237 WeakPolarHBondContact O-CB 3.36Å; C234-K237 PolarHBondContact O-N 3.2Å; G235-K237 PolarHBondContact O-N 2.78Å; G235-K237 VanDerWaalsContact O-N 3.1Å
238L81.1Confident85.5Confident48 Ų4865.6 Ų65.625%0.25132%0.323SS..  trans-97.4141.3-177-59.2170.1000111.6I212 F222 G235 P242 I248I212-L238 HydrophobicContact CD1-CD1 3.55Å; I212-L238 HydrophobicContact CD1-CD2 3.8Å; I212-L238 HydrophobicContact CD1-CG 3.97Å; F222-L238 HydrophobicContact CE1-CD1 4.24Å; F222-L238 HydrophobicContact CE2-CD1 4.33Å; F222-L238 HydrophobicContact CZ-CD1 3.59Å; G235-L238 WeakPolarHBondContact O-CB 2.92Å; G235-L238 PolarHBondContact O-N 3.39Å; L238-P242 HydrophobicContact CD1-CG 3.86Å; L238-P242 HydrophobicContact CD2-CG 4.29Å; L238-I248 HydrophobicContact CB-CD1 3.54Å; L238-I248 HydrophobicContact CD1-CD1 4.11Å
239T79.6Confident84.8Confident116 Ų11665.9 Ų65.971%0.71233%0.328SS*.SBendtrans-97.1-24.3169.552.20000112.6S247 I248T239-S247 WeakPolarHBondContact O-CA 3.33Å; T239-I248 PolarHBondContact O-N 2.88Å
240E79.9Confident84.3Confident102 Ų10271.2 Ų71.248%0.47735%0.346SS..BIsolated β-bridgetrans-134.7146.4-177.5-62.9-178.1161.700110.2P242 Q246 I248E240-P242 WeakPolarHBondContact O-CD 3.36Å; E240-Q246 WeakPolarHBondContact CA-O 3.04Å; E240-I248 WeakPolarHBondContact O-CD1 3.39Å
241C83.9Confident83.9Confident1 Ų173 Ų731%0.00736%0.356CS..  trans-67.8123.1177.4173.80000110F222 L243 C244 R245 Q246 I248F222-C241 HydrophobicContact CD2-CB 3.93Å; F222-C241 HydrophobicContact CE2-CB 4.45Å; C241-L243 PolarHBondContact O-N 3.2Å; C241-L243 VanDerWaalsContact O-N 3.1Å; C241-L243 PolarHBondContact SG-N 3.33Å; C241-C244 VanDerWaalsContact CB-SG 3.6Å; C241-C244 PolarHBondContact O-N 2.93Å; C241-R245 VanDerWaalsContact O-CA 3.22Å; C241-R245 WeakPolarHBondContact O-CA 3.49Å; C241-R245 PolarHBondContact O-N 2.94Å; C241-Q246 WeakPolarHBondContact CB-O 3.23Å; C241-Q246 PolarHBondContact N-O 3.43Å; C241-I248 HydrophobicContact CB-CG1 4.26Å
242P89Confident83.7Confident60 Ų6075.1 Ų75.139%0.3937%0.368SS..THydrogen-bonded Turntrans-62.3-21.4-179.3-26.838.4000114.1F229 L238 E240F229-P242 HydrophobicContact CD1-CB 3.82Å; F229-P242 HydrophobicContact CD1-CG 3.6Å; F229-P242 HydrophobicContact CE1-CB 3.52Å; F229-P242 HydrophobicContact CE1-CG 3.55Å; F229-P242 HydrophobicContact CZ-CB 4.01Å; F229-P242 HydrophobicContact CZ-CG 4.5Å; L238-P242 HydrophobicContact CD1-CG 3.86Å; L238-P242 HydrophobicContact CD2-CG 4.29Å; E240-P242 WeakPolarHBondContact O-CD 3.36Å
243L88.1Confident83.8Confident85 Ų8580.2 Ų80.245%0.44539%0.386SS..THydrogen-bonded Turntrans-85.6-40.5-179.1-62.2-176000113.5H227 F229 C241H227-L243 HydrophobicContact CB-CD1 4.02Å; F229-L243 HydrophobicContact CB-CD1 4.09Å; F229-L243 HydrophobicContact CB-CG 4.23Å; F229-L243 HydrophobicContact CD2-CD1 4.15Å; F229-L243 HydrophobicContact CD2-CD2 3.66Å; F229-L243 HydrophobicContact CD2-CG 3.86Å; F229-L243 HydrophobicContact CE2-CD2 3.97Å; F229-L243 HydrophobicContact CG-CD1 4.46Å; F229-L243 HydrophobicContact CG-CD2 4.43Å; F229-L243 HydrophobicContact CG-CG 4.17Å; C241-L243 PolarHBondContact O-N 3.2Å; C241-L243 VanDerWaalsContact O-N 3.1Å; C241-L243 PolarHBondContact SG-N 3.33Å
244C87.9Confident83.6Confident53 Ų5377.3 Ų77.336%0.35837%0.372SS..THydrogen-bonded Turntrans-124.2-1.3-172.966.20000114.8C225 H227 C241 Q246C225-C244 VanDerWaalsContact CB-SG 3.52Å; H227-C244 VanDerWaalsContact CE1-CB 3.47Å; H227-C244 WeakPolarHBondContact CE1-CB 3.29Å; H227-C244 VanDerWaalsContact CE1-SG 3.51Å; H227-C244 PolarHBondContact ND1-SG 3.46Å; C241-C244 VanDerWaalsContact CB-SG 3.6Å; C241-C244 PolarHBondContact O-N 2.93Å; C244-Q246 PolarHBondContact O-N 2.63Å; C244-Q246 WeakPolarHBondContact SG-CB 3.29Å
245R85.1Confident83.3Confident206 Ų20684.7 Ų84.778%0.77740%0.403SS*.  trans5811-176.1-53.1-177.5-179.8-178.3-1.1114.8C241C241-R245 VanDerWaalsContact O-CA 3.22Å; C241-R245 WeakPolarHBondContact O-CA 3.49Å; C241-R245 PolarHBondContact O-N 2.94Å
246Q75.3Confident82.5Confident54 Ų5492.5 Ų92.525%0.25243%0.433SS..  trans-67.7134.1171-172.9108-15.900109.4C225 E240 C241 C244 I248C225-Q246 HydrophobicContact CB-CB 3.99Å; C225-Q246 HydrophobicContact CB-CG 4.15Å; E240-Q246 WeakPolarHBondContact CA-O 3.04Å; C241-Q246 WeakPolarHBondContact CB-O 3.23Å; C241-Q246 PolarHBondContact N-O 3.43Å; C244-Q246 PolarHBondContact O-N 2.63Å; C244-Q246 WeakPolarHBondContact SG-CB 3.29Å; Q246-I248 PolarHBondContact O-N 2.76Å
247S72.5Confident81.3Confident43 Ų4394.9 Ų94.930%0.30146%0.464SS..BIsolated β-bridgetrans-53.6131.5172.6-390000111.1R74 T239 V249R74-S247 PolarHBondContact O-OG 3.4Å; T239-S247 WeakPolarHBondContact O-CA 3.33Å; S247-V249 PolarHBondContact O-N 3.32Å
248I76Confident81Confident26 Ų2691.1 Ų91.113%0.13345%0.45CS..  trans-83.2109.1179.1-62.9167.4000108.3F222 L238 T239 E240 C241 Q246 I251F222-I248 HydrophobicContact CB-CG1 4.2Å; F222-I248 HydrophobicContact CB-CG2 4.36Å; F222-I248 HydrophobicContact CD1-CD1 3.77Å; F222-I248 HydrophobicContact CD1-CG1 4.13Å; F222-I248 HydrophobicContact CD1-CG2 4Å; F222-I248 HydrophobicContact CD2-CD1 4.11Å; F222-I248 HydrophobicContact CD2-CG1 4.36Å; F222-I248 HydrophobicContact CE1-CD1 3.8Å; F222-I248 HydrophobicContact CE2-CD1 4.14Å; F222-I248 HydrophobicContact CG-CD1 3.92Å; F222-I248 HydrophobicContact CG-CG1 3.97Å; F222-I248 HydrophobicContact CG-CG2 4.39Å; F222-I248 HydrophobicContact CZ-CD1 3.99Å; L238-I248 HydrophobicContact CB-CD1 3.54Å; L238-I248 HydrophobicContact CD1-CD1 4.11Å; T239-I248 PolarHBondContact O-N 2.88Å; E240-I248 WeakPolarHBondContact O-CD1 3.39Å; C241-I248 HydrophobicContact CB-CG1 4.26Å; Q246-I248 PolarHBondContact O-N 2.76Å; I248-I251 HydrophobicContact CG2-CD1 3.93Å; I248-I251 HydrophobicContact CG2-CG1 3.48Å; I248-I251 VanDerWaalsContact CG2-CG1 3.48Å
249V77.8Confident81Confident83 Ų8393.3 Ų93.350%0.50346%0.461SS..  trans-80.5-43.9179.5178.20000111.4E224 S247E224-V249 HydrophobicContact CG-CB 4.03Å; E224-V249 HydrophobicContact CG-CG2 3.67Å; S247-V249 PolarHBondContact O-N 3.32Å
250R80.2Confident81.1Confident155 Ų15592.1 Ų92.159%0.58545%0.447SS*.  trans-151.4149.2-179.6-176.5170.180108.10.7109.4L223 V252L223-R250 HydrophobicContact CB-CB 4.34Å; L223-R250 WeakPolarHBondContact CB-O 3.09Å; L223-R250 HydrophobicContact CD1-CB 3.98Å; L223-R250 HydrophobicContact CD1-CG 4.06Å; L223-R250 HydrophobicContact CG-CB 4.48Å; L223-R250 PolarHBondContact N-O 3.5Å; R250-V252 HydrophobicContact CG-CG2 4.42Å
251I83.1Confident81.1Confident39 Ų3991.5 Ų91.520%0.245%0.445CS..EExtended strand (participates in β ladder)trans-116.1129.5176.5-53-177.2000107.1C220 F222 G235 I248C220-I251 HydrophobicContact CB-CG2 3.5Å; C220-I251 VanDerWaalsContact CB-CG2 3.5Å; F222-I251 HydrophobicContact CD1-CD1 4.21Å; F222-I251 HydrophobicContact CD1-CG1 4.04Å; F222-I251 HydrophobicContact CD1-CG2 4.45Å; F222-I251 HydrophobicContact CE1-CD1 4.13Å; F222-I251 HydrophobicContact CE1-CG1 4.44Å; G235-I251 WeakPolarHBondContact O-CD1 3.47Å; I248-I251 HydrophobicContact CG2-CD1 3.93Å; I248-I251 HydrophobicContact CG2-CG1 3.48Å; I248-I251 VanDerWaalsContact CG2-CG1 3.48Å
252V87.9Confident81Confident45 Ų4597.1 Ų97.127%0.27347%0.472SS..EExtended strand (participates in β ladder)trans-117.4131.3176.1178.10000108.1C220 V221 L223 R250 T254C220-V252 CarbonylContact C-O 3.55Å; C220-V252 VanDerWaalsContact CA-O 3.28Å; C220-V252 WeakPolarHBondContact CA-O 3.3Å; V221-V252 HydrophobicContact CG1-CB 4Å; V221-V252 PolarHBondContact N-O 2.99Å; V221-V252 PolarHBondContact O-N 3.16Å; V221-V252 VanDerWaalsContact O-N 3.07Å; L223-V252 HydrophobicContact CD1-CG2 3.5Å; L223-V252 VanDerWaalsContact CD1-CG2 3.5Å; L223-V252 HydrophobicContact CD2-CG2 4.31Å; L223-V252 HydrophobicContact CG-CG2 3.97Å; R250-V252 HydrophobicContact CG-CG2 4.42Å; V252-T254 PolarHBondContact O-N 3.49Å
253R90.2Very high80.4Confident120 Ų12099.6 Ų99.645%0.45348%0.478SS..EExtended strand (participates in β ladder)trans-65.3129172.2-171.9175.2-172.1144.82.1108.9N219 V232 F255N219-R253 CarbonylContact O-C 3.41Å; N219-R253 VanDerWaalsContact O-CA 3.26Å; N219-R253 WeakPolarHBondContact O-CA 3.45Å; N219-R253 WeakPolarHBondContact O-CG 3.42Å; V232-R253 HydrophobicContact CG2-CB 3.94Å; V232-R253 HydrophobicContact CG2-CG 3.93Å; R253-F255 HydrophobicContact CG-CZ 4.37Å
254T85.3Confident79.9Confident41 Ų41100.6 Ų100.625%0.25248%0.48SS..  trans-90.9146.1172.554.30000109.4N219 V221 L228 V252N219-T254 WeakPolarHBondContact CA-OG1 3.46Å; N219-T254 PolarHBondContact O-N 3.31Å; N219-T254 PolarHBondContact O-OG1 2.67Å; V221-T254 HydrophobicContact CB-CG2 3.85Å; V221-T254 HydrophobicContact CG1-CG2 3.8Å; L228-T254 HydrophobicContact CD2-CG2 4.14Å; V252-T254 PolarHBondContact O-N 3.49Å
255F82.6Confident79.3Confident168 Ų168104.3 Ų104.374%0.73749%0.49SS*.  trans-116.6128.8173-57.6-84.3000106.8R253R253-F255 HydrophobicContact CG-CZ 4.37Å
256R72.8Confident78.8Confident165 Ų16595.8 Ų95.862%0.62347%0.466SS*.  trans-73130.1168.8-65.7-172.6-177.4172.44.7107.3D208D208-R256 VanDerWaalsContact CB-NH2 3.32Å; D208-R256 VanDerWaalsContact CG-CZ 3.48Å; D208-R256 VanDerWaalsContact CG-NH1 3.34Å; D208-R256 IonicContact OD1-CZ 3.22Å; D208-R256 IonicContact OD1-NH1 3.67Å; D208-R256 IonicContact OD1-NH2 2.66Å; D208-R256 PolarHBondContact OD1-NH2 3.3Å; D208-R256 IonicContact OD2-CZ 3.82Å; D208-R256 IonicContact OD2-NH1 2.76Å; D208-R256 PolarHBondContact OD2-NH1 2.78Å; D208-R256 IonicContact OD2-NH2 3.64Å; D208-R256 PolarHBondContact OD2-NH2 3.17Å
257V61.8Low79.1Confident211 Ų21199.6 Ų99.6100%1.27949%0.485SS*.  trans-89.50174.3-176.50000108.6

Retrieved 257 of 257 residues in 45.5 ms (Link to these results)

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