A0A077YZU9_TRITR Loading...

Cyclin G associated kinase

AlphaFold DB , UniProt , Accession A0A077YZU9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 954 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
1M67.4Low80.2Confident80 Ų8093.7 Ų93.739%0.39447%0.472SS..  091.10-82.2-178.9-75.400107.7L4 I77 Y80 L81M1-L4 HydrophobicContact CB-CD1 4.36Å; M1-L4 HydrophobicContact CG-CD1 4.34Å; M1-L4 HydrophobicContact SD-CD1 3.65Å; M1-I77 HydrophobicContact SD-CG2 3.73Å; M1-Y80 HydrophobicContact CE-CD1 3.8Å; M1-Y80 HydrophobicContact CE-CE1 4.01Å; M1-Y80 HydrophobicContact CG-CD1 4.32Å; M1-Y80 HydrophobicContact SD-CD1 4.46Å; M1-L81 HydrophobicContact CE-CD2 3.27Å; M1-L81 HydrophobicContact CE-CG 3.85Å; M1-L81 HydrophobicContact SD-CD2 4.09Å; M1-L81 HydrophobicContact SD-CG 4.18Å
2E74.1Confident80.4Confident180 Ų18092.4 Ų92.484%0.84147%0.472SS*.  trans-89.8-22-169.7-59.9171.2-146.400112.4
3N82.1Confident80.7Confident68 Ų6892.7 Ų92.736%0.36447%0.468SS..SBendtrans-98.416.1-172.1-66.3-1.7000114L14 C15N3-L14 CarbonylContact O-C 3.52Å; N3-L14 WeakPolarHBondContact O-CA 3.48Å; N3-C15 VanDerWaalsContact CA-SG 3.56Å; N3-C15 WeakPolarHBondContact CB-O 3.37Å; N3-C15 PolarHBondContact O-N 3.5Å
4L84.3Confident81Confident58 Ų5894.4 Ų94.430%0.30448%0.478SS..EExtended strand (participates in β ladder)trans-119114.7176-67.7171.2000108.8M1 V12 K13 L14M1-L4 HydrophobicContact CB-CD1 4.36Å; M1-L4 HydrophobicContact CG-CD1 4.34Å; M1-L4 HydrophobicContact SD-CD1 3.65Å; L4-V12 HydrophobicContact CB-CG1 4.14Å; L4-V12 HydrophobicContact CD2-CG1 3.68Å; L4-V12 HydrophobicContact CG-CG1 4.39Å; L4-K13 CarbonylContact C-O 3.53Å; L4-K13 WeakPolarHBondContact CA-O 3.29Å; L4-L14 HydrophobicContact CD2-CD2 3.35Å; L4-L14 HydrophobicContact CD2-CG 3.93Å; L4-L14 HydrophobicContact CG-CD2 4.3Å
5L83.3Confident81.5Confident96 Ų9690.4 Ų90.450%0.50346%0.462SS..EExtended strand (participates in β ladder)trans-112.5158.1179.4-57.4178.4000110.3V12 K13 C15L5-V12 CarbonylContact O-C 3.58Å; L5-V12 WeakPolarHBondContact O-CA 3.38Å; L5-K13 PolarHBondContact N-O 3.25Å; L5-K13 PolarHBondContact O-N 3.49Å; L5-C15 HydrophobicContact CD1-CB 3.67Å; L5-C15 VanDerWaalsContact CD1-SG 3.59Å; L5-C15 HydrophobicContact CG-CB 4.1Å; L5-C15 VanDerWaalsContact CG-SG 3.58Å
6L85Confident81.7Confident74 Ų7491.6 Ų91.639%0.38747%0.469SS..EExtended strand (participates in β ladder)trans-96.9131168.1-66.8177.8000109.8R11 V12 V153 L155L6-R11 WeakPolarHBondContact CA-O 3.33Å; L6-V12 HydrophobicContact CD2-CG2 3.83Å; L6-V153 HydrophobicContact CD2-CB 4.39Å; L6-V153 HydrophobicContact CD2-CG2 4.48Å; L6-L155 HydrophobicContact CD1-CD1 3.41Å; L6-L155 VanDerWaalsContact CD1-CD1 3.41Å; L6-L155 HydrophobicContact CD1-CG 4.29Å
7D82.6Confident81.9Confident34 Ų3494.3 Ų94.318%0.18248%0.477CS..  trans-74.2174.2168.876.86.2000111.6K9 E10 R11 K13D7-K9 PolarHBondContact O-N 2.94Å; D7-K9 VanDerWaalsContact OD1-CA 3.31Å; D7-K9 WeakPolarHBondContact OD1-CA 3.37Å; D7-K9 WeakPolarHBondContact OD1-CB 3.31Å; D7-K9 PolarHBondContact OD1-N 2.74Å; D7-E10 PolarHBondContact O-N 2.96Å; D7-E10 PolarHBondContact OD1-N 3.35Å; D7-R11 PolarHBondContact N-O 3.47Å; D7-R11 WeakPolarHBondContact OD1-CB 3.43Å; D7-R11 PolarHBondContact OD1-N 2.81Å; D7-R11 IonicContact OD1-NE 3.6Å; D7-R11 IonicContact OD2-CZ 3.25Å; D7-R11 VanDerWaalsContact OD2-CZ 3.25Å; D7-R11 IonicContact OD2-NE 2.94Å; D7-R11 PolarHBondContact OD2-NE 3.48Å; D7-R11 IonicContact OD2-NH2 2.74Å; D7-R11 PolarHBondContact OD2-NH2 2.97Å; D7-K13 HydrophobicContact CB-CG 3.92Å; D7-K13 WeakPolarHBondContact OD2-CE 3.42Å; D7-K13 IonicContact OD2-NZ 3.91Å
8S81.1Confident81.9Confident127 Ų12792.9 Ų92.989%0.88849%0.49SS*.THydrogen-bonded Turntrans-61.6-7.9178.457.90000114.8
9K81.7Confident81.9Confident116 Ų11691.9 Ų91.950%0.50449%0.492SS..THydrogen-bonded Turntrans-105.513.1174.5-58.3-174-179.1-177.50111.9D7 R11 K152D7-K9 PolarHBondContact O-N 2.94Å; D7-K9 VanDerWaalsContact OD1-CA 3.31Å; D7-K9 WeakPolarHBondContact OD1-CA 3.37Å; D7-K9 WeakPolarHBondContact OD1-CB 3.31Å; D7-K9 PolarHBondContact OD1-N 2.74Å; K9-R11 HydrophobicContact CB-CG 4.29Å; K9-R11 PolarHBondContact O-N 2.89Å; K9-K152 WeakPolarHBondContact O-CG 3.38Å
10E79.5Confident82.1Confident90 Ų9091 Ų9142%0.42150%0.498SS..SBendtrans60.429.4-178.1-59.4170.1171.700113.1D7 K152 V153D7-E10 PolarHBondContact O-N 2.96Å; D7-E10 PolarHBondContact OD1-N 3.35Å; E10-K152 HydrophobicContact CB-CB 4.06Å; E10-K152 HydrophobicContact CB-CD 4.36Å; E10-K152 HydrophobicContact CB-CG 4.4Å; E10-K152 WeakPolarHBondContact OE2-CD 3.11Å; E10-V153 PolarHBondContact O-N 3.22Å
11R80.8Confident82.4Confident108 Ų10891 Ų9141%0.40850%0.501SS..  trans-96.9138.4173.6-57.7176-62.7178.23.7109.7L6 D7 K9L6-R11 WeakPolarHBondContact CA-O 3.33Å; D7-R11 PolarHBondContact N-O 3.47Å; D7-R11 WeakPolarHBondContact OD1-CB 3.43Å; D7-R11 PolarHBondContact OD1-N 2.81Å; D7-R11 IonicContact OD1-NE 3.6Å; D7-R11 IonicContact OD2-CZ 3.25Å; D7-R11 VanDerWaalsContact OD2-CZ 3.25Å; D7-R11 IonicContact OD2-NE 2.94Å; D7-R11 PolarHBondContact OD2-NE 3.48Å; D7-R11 IonicContact OD2-NH2 2.74Å; D7-R11 PolarHBondContact OD2-NH2 2.97Å; K9-R11 HydrophobicContact CB-CG 4.29Å; K9-R11 PolarHBondContact O-N 2.89Å
12V82.8Confident83.4Confident78 Ų7896.8 Ų96.847%0.47353%0.527SS..EExtended strand (participates in β ladder)trans-68133.4178.3-174.50000110.5L4 L5 L6 V153L4-V12 HydrophobicContact CB-CG1 4.14Å; L4-V12 HydrophobicContact CD2-CG1 3.68Å; L4-V12 HydrophobicContact CG-CG1 4.39Å; L5-V12 CarbonylContact O-C 3.58Å; L5-V12 WeakPolarHBondContact O-CA 3.38Å; L6-V12 HydrophobicContact CD2-CG2 3.83Å; V12-V153 HydrophobicContact CG2-CG2 3.82Å
13K83.8Confident84.2Confident96 Ų9694.1 Ų94.142%0.41751%0.513SS..EExtended strand (participates in β ladder)trans-127.4134176.4-63-62-179.4-172.80109.2L4 L5 D7L4-K13 CarbonylContact C-O 3.53Å; L4-K13 WeakPolarHBondContact CA-O 3.29Å; L5-K13 PolarHBondContact N-O 3.25Å; L5-K13 PolarHBondContact O-N 3.49Å; D7-K13 HydrophobicContact CB-CG 3.92Å; D7-K13 WeakPolarHBondContact OD2-CE 3.42Å; D7-K13 IonicContact OD2-NZ 3.91Å
14L86.2Confident84.7Confident116 Ų11694.2 Ų94.261%0.60752%0.519SS*.EExtended strand (participates in β ladder)trans-74.8137.3167.5-73.9162.9000109.5N3 L4 F17N3-L14 CarbonylContact O-C 3.52Å; N3-L14 WeakPolarHBondContact O-CA 3.48Å; L4-L14 HydrophobicContact CD2-CD2 3.35Å; L4-L14 HydrophobicContact CD2-CG 3.93Å; L4-L14 HydrophobicContact CG-CD2 4.3Å; L14-F17 HydrophobicContact CB-CE1 4.21Å; L14-F17 HydrophobicContact CB-CZ 3.91Å; L14-F17 WeakPolarHBondContact O-CE2 3.16Å; L14-F17 WeakPolarHBondContact O-CZ 3.47Å
15C87.7Confident85.2Confident35 Ų3593.5 Ų93.524%0.23651%0.512CS..  trans-126.5176.1171.870.60000111N3 L5N3-C15 VanDerWaalsContact CA-SG 3.56Å; N3-C15 WeakPolarHBondContact CB-O 3.37Å; N3-C15 PolarHBondContact O-N 3.5Å; L5-C15 HydrophobicContact CD1-CB 3.67Å; L5-C15 VanDerWaalsContact CD1-SG 3.59Å; L5-C15 HydrophobicContact CG-CB 4.1Å; L5-C15 VanDerWaalsContact CG-SG 3.58Å
16D84.5Confident85.6Confident109 Ų10995.8 Ų95.858%0.58352%0.518SS*.  trans54.975.7-177.8-171.114.4000114.4G18D16-G18 PolarHBondContact O-N 3.44Å; D16-G18 PolarHBondContact OD1-N 3.21Å
17F85.9Confident85.9Confident138 Ų13892.5 Ų92.561%0.60550%0.501SS*.  trans-86.916.5174.1-57.3-81.4000112.6L14 S19 A20L14-F17 HydrophobicContact CB-CE1 4.21Å; L14-F17 HydrophobicContact CB-CZ 3.91Å; L14-F17 WeakPolarHBondContact O-CE2 3.16Å; L14-F17 WeakPolarHBondContact O-CZ 3.47Å; F17-S19 PolarHBondContact O-N 2.94Å; F17-A20 HydrophobicContact CB-CB 4.06Å; F17-A20 HydrophobicContact CD1-CB 4.38Å; F17-A20 WeakPolarHBondContact O-CB 3.17Å; F17-A20 PolarHBondContact O-N 3.35Å
18G81.1Confident86.3Confident69 Ų6994.1 Ų94.171%0.71151%0.51SS*.THydrogen-bonded Turntrans-61.8-19.4-174.600000114.4D16D16-G18 PolarHBondContact O-N 3.44Å; D16-G18 PolarHBondContact OD1-N 3.21Å
19S81.6Confident86.7Confident74 Ų7495 Ų9552%0.51750%0.504SS..THydrogen-bonded Turntrans-115.17176.4-57.50000114F17 C46F17-S19 PolarHBondContact O-N 2.94Å; S19-C46 VanDerWaalsContact CB-O 3.24Å; S19-C46 WeakPolarHBondContact CB-O 3.44Å
20A87.1Confident87.1Confident74 Ų7494.7 Ų94.761%0.61251%0.512SS*.  trans-68.3140.6178.700000110.6F17F17-A20 HydrophobicContact CB-CB 4.06Å; F17-A20 HydrophobicContact CD1-CB 4.38Å; F17-A20 WeakPolarHBondContact O-CB 3.17Å; F17-A20 PolarHBondContact O-N 3.35Å
21T87.5Confident87.7Confident91 Ų9191.3 Ų91.356%0.55850%0.496SS*.  trans-147.7145-179.1-177.60000110.5K23T21-K23 WeakPolarHBondContact OG1-CB 3.34Å; T21-K23 WeakPolarHBondContact OG1-CG 3.49Å; T21-K23 PolarHBondContact OG1-N 3.49Å; T21-K23 VanDerWaalsContact OG1-N 3.12Å
22E89.6Confident88.2Confident201 Ų20190 Ų9094%0.93950%0.5SS*.  trans-96-0.3170.9-61.9-177.717200111.9S24E22-S24 PolarHBondContact O-N 3.27Å
23K90.7Very high88.6Confident125 Ų12589.3 Ų89.354%0.54350%0.502SS..  trans-69119.6-179-64.8-177.5-171.7174.90110.6T21 Y25 E42T21-K23 WeakPolarHBondContact OG1-CB 3.34Å; T21-K23 WeakPolarHBondContact OG1-CG 3.49Å; T21-K23 PolarHBondContact OG1-N 3.49Å; T21-K23 VanDerWaalsContact OG1-N 3.12Å; K23-Y25 HydrophobicContact CB-CE2 4.07Å; K23-Y25 WeakPolarHBondContact CD-OH 3.25Å; K23-E42 IonicContact NZ-OE1 3.13Å; K23-E42 PolarHBondContact NZ-OE1 2.94Å; K23-E42 VanDerWaalsContact NZ-OE1 3.13Å
24S92.9Very high88.8Confident70 Ų7091.1 Ų91.149%0.4951%0.512SS..  trans-98.7143.6168.365.10000111.4E22 I65E22-S24 PolarHBondContact O-N 3.27Å; S24-I65 CarbonylContact C-O 3.57Å; S24-I65 VanDerWaalsContact CA-O 3.3Å; S24-I65 WeakPolarHBondContact CA-O 3.31Å
25Y93.3Very high89.1Confident43 Ų4391.8 Ų91.817%0.16951%0.507CS..BIsolated β-bridgetrans-118.4136.1174-55-92.9000109.6K23 P27 W31 L39 E42 I65K23-Y25 HydrophobicContact CB-CE2 4.07Å; K23-Y25 WeakPolarHBondContact CD-OH 3.25Å; Y25-P27 WeakPolarHBondContact O-CD 3.3Å; Y25-W31 HydrophobicContact CD1-CH2 4.08Å; Y25-L39 HydrophobicContact CD1-CD1 3.72Å; Y25-L39 HydrophobicContact CD2-CD1 3.71Å; Y25-L39 HydrophobicContact CE1-CD1 3.84Å; Y25-L39 HydrophobicContact CE2-CD1 3.89Å; Y25-L39 HydrophobicContact CG-CD1 3.63Å; Y25-L39 HydrophobicContact CG-CD2 4.4Å; Y25-E42 PolarHBondContact OH-OE1 3.49Å; Y25-E42 PolarHBondContact OH-OE2 3.24Å; Y25-I65 PolarHBondContact N-O 2.73Å; Y25-I65 PolarHBondContact O-N 3.35Å
26K93.3Very high89.3Confident143 Ų14390.9 Ų90.962%0.62250%0.498SS*.  trans-121.383.2173.5-64.9-175.3-179.3-177.50108.5D28 W31 P64K26-D28 PolarHBondContact O-N 2.89Å; K26-W31 PolarHBondContact O-NE1 2.97Å; K26-P64 HydrophobicContact CG-CB 4.37Å
27P90.7Very high89.6Confident6 Ų688.1 Ų88.14%0.03949%0.487CS..  trans-60134.8172.9-16.329.9000109.4Y25 W31 L39 N62 Q63Y25-P27 WeakPolarHBondContact O-CD 3.3Å; P27-W31 HydrophobicContact CB-CD2 4.16Å; P27-W31 HydrophobicContact CB-CE3 4.13Å; P27-W31 HydrophobicContact CB-CZ3 4.41Å; P27-W31 HydrophobicContact CG-CH2 4.36Å; P27-W31 HydrophobicContact CG-CZ3 4.3Å; P27-L39 HydrophobicContact CG-CD2 4.23Å; P27-N62 WeakPolarHBondContact O-CA 3.34Å; P27-N62 VanDerWaalsContact O-CB 3.3Å; P27-N62 WeakPolarHBondContact O-CB 3.43Å; P27-Q63 WeakPolarHBondContact CD-O 3.35Å
28D91Very high89.9Confident67 Ų6786.6 Ų86.636%0.35848%0.484SS..  trans-134.1177.6175.965.227.1000109.8K26 T30 W31 R36 N62K26-D28 PolarHBondContact O-N 2.89Å; D28-T30 PolarHBondContact O-N 2.82Å; D28-T30 VanDerWaalsContact OD1-CA 3.31Å; D28-T30 WeakPolarHBondContact OD1-CA 3.42Å; D28-T30 VanDerWaalsContact OD1-CB 3.29Å; D28-T30 WeakPolarHBondContact OD1-CB 3.11Å; D28-T30 PolarHBondContact OD1-N 3.45Å; D28-T30 PolarHBondContact OD1-OG1 2.95Å; D28-T30 PolarHBondContact OD2-OG1 2.87Å; D28-W31 PolarHBondContact O-N 3.45Å; D28-W31 VanDerWaalsContact O-N 3.11Å; D28-W31 PolarHBondContact OD1-N 2.76Å; D28-R36 PolarHBondContact O-NH2 3.28Å; D28-N62 PolarHBondContact O-OD1 3.29Å
29N89.6Confident90.4Very high145 Ų14583.6 Ų83.678%0.77545%0.451SS*.THydrogen-bonded Turntrans-62.9-14.1179.8-67.3-37.5000114N62N29-N62 PolarHBondContact OD1-ND2 2.67Å
30T90.5Very high90.8Very high110 Ų11083 Ų8368%0.67544%0.44SS*.THydrogen-bonded Turntrans-86.4-13.7178.378.10000113.1D28 T32D28-T30 PolarHBondContact O-N 2.82Å; D28-T30 VanDerWaalsContact OD1-CA 3.31Å; D28-T30 WeakPolarHBondContact OD1-CA 3.42Å; D28-T30 VanDerWaalsContact OD1-CB 3.29Å; D28-T30 WeakPolarHBondContact OD1-CB 3.11Å; D28-T30 PolarHBondContact OD1-N 3.45Å; D28-T30 PolarHBondContact OD1-OG1 2.95Å; D28-T30 PolarHBondContact OD2-OG1 2.87Å; T30-T32 PolarHBondContact O-N 3.37Å
31W91.2Very high91Very high19 Ų1981.6 Ų81.67%0.07242%0.421CS..  trans-64.6133.3176.6-79.639.3000111Y25 K26 P27 D28 R35 R36 L39Y25-W31 HydrophobicContact CD1-CH2 4.08Å; K26-W31 PolarHBondContact O-NE1 2.97Å; P27-W31 HydrophobicContact CB-CD2 4.16Å; P27-W31 HydrophobicContact CB-CE3 4.13Å; P27-W31 HydrophobicContact CB-CZ3 4.41Å; P27-W31 HydrophobicContact CG-CH2 4.36Å; P27-W31 HydrophobicContact CG-CZ3 4.3Å; D28-W31 PolarHBondContact O-N 3.45Å; D28-W31 VanDerWaalsContact O-N 3.11Å; D28-W31 PolarHBondContact OD1-N 2.76Å; W31-R35 HydrophobicContact CD2-CG 3.95Å; W31-R35 HydrophobicContact CE3-CB 4.24Å; W31-R35 HydrophobicContact CE3-CG 3.66Å; W31-R35 HydrophobicContact CG-CG 4.49Å; W31-R35 HydrophobicContact CZ3-CG 3.97Å; W31-R36 HydrophobicContact CB-CG 4.34Å; W31-R36 HydrophobicContact CE3-CG 4.1Å; W31-R36 PolarHBondContact O-NH1 3.46Å; W31-L39 HydrophobicContact CH2-CD2 3.99Å; W31-L39 HydrophobicContact CZ3-CB 4.17Å; W31-L39 HydrophobicContact CZ3-CD2 3.58Å; W31-L39 HydrophobicContact CZ3-CG 4.49Å
32T91.7Very high91.1Very high82 Ų8280.6 Ų80.650%0.50341%0.41SS..  trans-74.9157.4173.262.40000110.6T30 Q34 R35 R36T30-T32 PolarHBondContact O-N 3.37Å; T32-Q34 PolarHBondContact O-N 2.89Å; T32-R35 PolarHBondContact O-N 2.82Å; T32-R35 VanDerWaalsContact O-N 3.14Å; T32-R35 PolarHBondContact OG1-N 2.87Å; T32-R35 VanDerWaalsContact OG1-N 3.16Å; T32-R36 PolarHBondContact O-N 3.39Å; T32-R36 VanDerWaalsContact O-N 3.08Å
33A90.1Very high91.1Very high62 Ų6271.8 Ų71.851%0.51237%0.369SS..Hα-helixtrans-56.1-35.3172.400000111.7R36 S37A33-R36 PolarHBondContact O-N 3.48Å; A33-S37 WeakPolarHBondContact O-CB 3.4Å; A33-S37 PolarHBondContact O-N 3.36Å
34Q89.4Confident91Very high134 Ų13469.4 Ų69.463%0.62636%0.362SS*.Hα-helixtrans-64.5-44.9176-165.6-173.5-0.800112.1T32 R36 S37 M38T32-Q34 PolarHBondContact O-N 2.89Å; Q34-R36 VanDerWaalsContact C-N 3.34Å; Q34-R36 PolarHBondContact O-N 2.99Å; Q34-S37 WeakPolarHBondContact O-CB 3.47Å; Q34-S37 PolarHBondContact O-N 2.85Å; Q34-M38 HydrophobicContact CG-CE 3.88Å; Q34-M38 WeakPolarHBondContact O-CG 3.31Å; Q34-M38 PolarHBondContact O-N 2.99Å
35R91.7Very high90.6Very high131 Ų13173.7 Ų73.749%0.49437%0.372SS..Hα-helixtrans-63.4-39.5177.5-170.1177.3179.9176.72111.9W31 T32 M38 L39W31-R35 HydrophobicContact CD2-CG 3.95Å; W31-R35 HydrophobicContact CE3-CB 4.24Å; W31-R35 HydrophobicContact CE3-CG 3.66Å; W31-R35 HydrophobicContact CG-CG 4.49Å; W31-R35 HydrophobicContact CZ3-CG 3.97Å; T32-R35 PolarHBondContact O-N 2.82Å; T32-R35 VanDerWaalsContact O-N 3.14Å; T32-R35 PolarHBondContact OG1-N 2.87Å; T32-R35 VanDerWaalsContact OG1-N 3.16Å; R35-M38 PolarHBondContact O-N 3.01Å; R35-L39 PolarHBondContact O-N 3.39Å
36R92.6Very high90.1Very high16 Ų1674.1 Ų74.16%0.0638%0.381CS..Hα-helixtrans-62.9-44.1172.6-73.3-172.1178.4893.9111.9D28 W31 T32 A33 Q34 M38 L39 E40 S59 N62D28-R36 PolarHBondContact O-NH2 3.28Å; W31-R36 HydrophobicContact CB-CG 4.34Å; W31-R36 HydrophobicContact CE3-CG 4.1Å; W31-R36 PolarHBondContact O-NH1 3.46Å; T32-R36 PolarHBondContact O-N 3.39Å; T32-R36 VanDerWaalsContact O-N 3.08Å; A33-R36 PolarHBondContact O-N 3.48Å; Q34-R36 VanDerWaalsContact C-N 3.34Å; Q34-R36 PolarHBondContact O-N 2.99Å; R36-M38 PolarHBondContact O-N 2.86Å; R36-L39 WeakPolarHBondContact O-CB 3.25Å; R36-L39 PolarHBondContact O-N 2.64Å; R36-E40 WeakPolarHBondContact O-CG 3Å; R36-E40 PolarHBondContact O-N 2.96Å; R36-S59 WeakPolarHBondContact CB-OG 3.38Å; R36-S59 WeakPolarHBondContact CD-OG 3.33Å; R36-S59 PolarHBondContact NE-O 3.36Å; R36-N62 PolarHBondContact NH2-OD1 3.02Å
37S89.6Confident89.8Confident50 Ų5069.2 Ų69.235%0.3536%0.363SS..Hα-helixtrans-58.8-48.1175.3-167.20000111.6A33 Q34 L39 E40 E41A33-S37 WeakPolarHBondContact O-CB 3.4Å; A33-S37 PolarHBondContact O-N 3.36Å; Q34-S37 WeakPolarHBondContact O-CB 3.47Å; Q34-S37 PolarHBondContact O-N 2.85Å; S37-L39 VanDerWaalsContact C-N 3.29Å; S37-L39 PolarHBondContact O-N 2.78Å; S37-E40 PolarHBondContact O-N 3.08Å; S37-E40 VanDerWaalsContact O-N 3.13Å; S37-E41 VanDerWaalsContact O-CG 3.32Å; S37-E41 WeakPolarHBondContact O-CG 3.44Å; S37-E41 PolarHBondContact O-N 2.93Å
38M91.6Very high89.5Confident107 Ų10773.2 Ų73.253%0.52739%0.387SS..Hα-helixtrans-58.5-40.3178.1-68.4-177.2-170.200112.6Q34 R35 R36 E41 E42Q34-M38 HydrophobicContact CG-CE 3.88Å; Q34-M38 WeakPolarHBondContact O-CG 3.31Å; Q34-M38 PolarHBondContact O-N 2.99Å; R35-M38 PolarHBondContact O-N 3.01Å; R36-M38 PolarHBondContact O-N 2.86Å; M38-E41 PolarHBondContact O-N 3.11Å; M38-E42 PolarHBondContact O-N 2.77Å
39L92.4Very high89.3Confident5 Ų573.2 Ų73.23%0.02639%0.391CS..Hα-helixtrans-63.5-48174.3172.661.9000111.2Y25 P27 W31 R35 R36 S37 E41 E42 L43 I65Y25-L39 HydrophobicContact CD1-CD1 3.72Å; Y25-L39 HydrophobicContact CD2-CD1 3.71Å; Y25-L39 HydrophobicContact CE1-CD1 3.84Å; Y25-L39 HydrophobicContact CE2-CD1 3.89Å; Y25-L39 HydrophobicContact CG-CD1 3.63Å; Y25-L39 HydrophobicContact CG-CD2 4.4Å; P27-L39 HydrophobicContact CG-CD2 4.23Å; W31-L39 HydrophobicContact CH2-CD2 3.99Å; W31-L39 HydrophobicContact CZ3-CB 4.17Å; W31-L39 HydrophobicContact CZ3-CD2 3.58Å; W31-L39 HydrophobicContact CZ3-CG 4.49Å; R35-L39 PolarHBondContact O-N 3.39Å; R36-L39 WeakPolarHBondContact O-CB 3.25Å; R36-L39 PolarHBondContact O-N 2.64Å; S37-L39 VanDerWaalsContact C-N 3.29Å; S37-L39 PolarHBondContact O-N 2.78Å; L39-E41 PolarHBondContact O-N 3.23Å; L39-E42 PolarHBondContact O-N 3.45Å; L39-E42 VanDerWaalsContact O-N 3.14Å; L39-L43 HydrophobicContact CD1-CD1 4.07Å; L39-L43 HydrophobicContact CD1-CD2 4.35Å; L39-L43 HydrophobicContact CD1-CG 3.97Å; L39-L43 HydrophobicContact CG-CD1 4.04Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 VanDerWaalsContact O-CG 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 2.87Å; L39-I65 HydrophobicContact CD2-CD1 3.88Å
40E91.2Very high89.2Confident61 Ų6169.2 Ų69.229%0.28537%0.368SS..Hα-helixtrans-58.9-36177-72.8175.8-165.200112.1R36 S37 N44 S59R36-E40 WeakPolarHBondContact O-CG 3Å; R36-E40 PolarHBondContact O-N 2.96Å; S37-E40 PolarHBondContact O-N 3.08Å; S37-E40 VanDerWaalsContact O-N 3.13Å; E40-N44 VanDerWaalsContact O-CB 3.31Å; E40-N44 WeakPolarHBondContact O-CB 3.35Å; E40-N44 VanDerWaalsContact O-CG 3.26Å; E40-N44 PolarHBondContact O-N 2.93Å; E40-N44 PolarHBondContact O-ND2 2.86Å; E40-S59 PolarHBondContact OE1-OG 3.33Å; E40-S59 VanDerWaalsContact OE1-OG 3.07Å
41E89.6Confident89.3Confident46 Ų4666.9 Ų66.922%0.21535%0.347CS..Hα-helixtrans-67-42.8174-65.1-176.9-155.800113.2S37 M38 L39 N44 K45 T453 K454S37-E41 VanDerWaalsContact O-CG 3.32Å; S37-E41 WeakPolarHBondContact O-CG 3.44Å; S37-E41 PolarHBondContact O-N 2.93Å; M38-E41 PolarHBondContact O-N 3.11Å; L39-E41 PolarHBondContact O-N 3.23Å; E41-N44 PolarHBondContact O-N 3.1Å; E41-K45 PolarHBondContact O-N 3.32Å; E41-T453 VanDerWaalsContact CG-C 3.43Å; E41-T453 WeakPolarHBondContact CG-O 3.24Å; E41-K454 VanDerWaalsContact OE2-CA 3.3Å; E41-K454 WeakPolarHBondContact OE2-CA 3.25Å
42E89.8Confident89.4Confident69 Ų6967 Ų6732%0.32235%0.348SS..Hα-helixtrans-63.4-48177-170.7173.5-165.600110.3K23 Y25 M38 L39 N44 K45 C46K23-E42 IonicContact NZ-OE1 3.13Å; K23-E42 PolarHBondContact NZ-OE1 2.94Å; K23-E42 VanDerWaalsContact NZ-OE1 3.13Å; Y25-E42 PolarHBondContact OH-OE1 3.49Å; Y25-E42 PolarHBondContact OH-OE2 3.24Å; M38-E42 PolarHBondContact O-N 2.77Å; L39-E42 PolarHBondContact O-N 3.45Å; L39-E42 VanDerWaalsContact O-N 3.14Å; E42-N44 VanDerWaalsContact C-N 3.28Å; E42-N44 PolarHBondContact O-N 3.47Å; E42-K45 PolarHBondContact O-N 2.77Å; E42-K45 VanDerWaalsContact O-N 3.08Å; E42-C46 PolarHBondContact O-N 3.19Å; E42-C46 VanDerWaalsContact O-N 3.1Å
43L91Very high89.5Confident17 Ų1763 Ų639%0.08932%0.324CS..Hα-helixtrans-58.8-41.1175.6-65.2177.4000111.3L39 K45 C46 T47 R52 M56 I65L39-L43 HydrophobicContact CD1-CD1 4.07Å; L39-L43 HydrophobicContact CD1-CD2 4.35Å; L39-L43 HydrophobicContact CD1-CG 3.97Å; L39-L43 HydrophobicContact CG-CD1 4.04Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 VanDerWaalsContact O-CG 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 2.87Å; L43-K45 PolarHBondContact O-N 3.35Å; L43-C46 PolarHBondContact O-N 3.25Å; L43-T47 HydrophobicContact CD2-CG2 4.42Å; L43-T47 WeakPolarHBondContact O-CB 3.31Å; L43-T47 PolarHBondContact O-N 2.93Å; L43-T47 PolarHBondContact O-OG1 3.32Å; L43-R52 PolarHBondContact O-NH2 3.43Å; L43-M56 HydrophobicContact CD1-CB 4.04Å; L43-M56 HydrophobicContact CD1-CG 4.49Å; L43-M56 HydrophobicContact CD2-CE 3.82Å; L43-I65 HydrophobicContact CD1-CD1 3.95Å
44N86.9Confident89.8Confident75 Ų7560.1 Ų60.140%0.40130%0.299SS..Hα-helixtrans-65.4-25.7178.3-83-49.5000114.3E40 E41 E42 R52 T453E40-N44 VanDerWaalsContact O-CB 3.31Å; E40-N44 WeakPolarHBondContact O-CB 3.35Å; E40-N44 VanDerWaalsContact O-CG 3.26Å; E40-N44 PolarHBondContact O-N 2.93Å; E40-N44 PolarHBondContact O-ND2 2.86Å; E41-N44 PolarHBondContact O-N 3.1Å; E42-N44 VanDerWaalsContact C-N 3.28Å; E42-N44 PolarHBondContact O-N 3.47Å; N44-R52 PolarHBondContact OD1-NH1 3.14Å; N44-T453 HydrophobicContact CB-CG2 3.33Å
45K85.3Confident90.1Very high160 Ų16053.9 Ų53.970%0.69627%0.27SS*.Hα-helixtrans-86.1-34.1179.8-171-175.1175.4-160.70112.7E41 E42 L43E41-K45 PolarHBondContact O-N 3.32Å; E42-K45 PolarHBondContact O-N 2.77Å; E42-K45 VanDerWaalsContact O-N 3.08Å; L43-K45 PolarHBondContact O-N 3.35Å
46C84Confident90.2Very high51 Ų5148.3 Ų48.335%0.34525%0.25SS..Hα-helixtrans-110.66-167.2-55.80000114S19 E42 L43S19-C46 VanDerWaalsContact CB-O 3.24Å; S19-C46 WeakPolarHBondContact CB-O 3.44Å; E42-C46 PolarHBondContact O-N 3.19Å; E42-C46 VanDerWaalsContact O-N 3.1Å; L43-C46 PolarHBondContact O-N 3.25Å
47T85.6Confident90.2Very high41 Ų4148.8 Ų48.825%0.25225%0.254SS..SBendtrans-139.1142.8-174.871.80000111.6L43 R52 M56L43-T47 HydrophobicContact CD2-CG2 4.42Å; L43-T47 WeakPolarHBondContact O-CB 3.31Å; L43-T47 PolarHBondContact O-N 2.93Å; L43-T47 PolarHBondContact O-OG1 3.32Å; T47-R52 PolarHBondContact O-NH2 3.36Å; T47-R52 PolarHBondContact OG1-NE 3.17Å; T47-R52 PolarHBondContact OG1-NH2 2.83Å; T47-M56 HydrophobicContact CG2-CE 3.5Å
48T84.9Confident90.2Very high90 Ų9048.3 Ų48.355%0.55225%0.247SC*.  trans-77.9120.7177.5-56.90000110.1M50 Y51T48-M50 PolarHBondContact O-N 2.84Å; T48-M50 VanDerWaalsContact O-N 3.09Å; T48-Y51 HydrophobicContact CG2-CD2 3.99Å; T48-Y51 HydrophobicContact CG2-CE2 4.35Å; T48-Y51 PolarHBondContact O-N 3.1Å; T48-Y51 VanDerWaalsContact O-N 3.11Å
49P86Confident90.2Very high66 Ų6643.5 Ų43.543%0.42922%0.224SC..G310 helixtrans-52.1-38.1-172.2-28.934.1000115.1Y51 R52P49-Y51 PolarHBondContact O-N 2.92Å; P49-R52 PolarHBondContact O-N 2.95Å
50M88.1Confident90.1Very high62 Ų6249.3 Ų49.331%0.30525%0.247SC..G310 helixtrans-62.3-27.6-176.3-172.5176.1-70.900113.4T48 H86T48-M50 PolarHBondContact O-N 2.84Å; T48-M50 VanDerWaalsContact O-N 3.09Å; M50-H86 HydrophobicContact CG-CB 4.48Å; M50-H86 WeakPolarHBondContact CG-CE1 3.44Å; M50-H86 WeakPolarHBondContact CG-ND1 3.33Å; M50-H86 WeakPolarHBondContact CG-NE2 3.44Å; M50-H86 PolarHBondContact O-CE1 3.46Å; M50-H86 PolarHBondContact O-NE2 3.4Å; M50-H86 HydrophobicContact SD-CB 3.99Å
51Y91.8Very high90Very high60 Ų6050.1 Ų50.124%0.23525%0.25CS..G310 helixtrans-105.56.8-177.1-60.4-84.7000113.7T48 P49 A53 A73 C76 I77 H86T48-Y51 HydrophobicContact CG2-CD2 3.99Å; T48-Y51 HydrophobicContact CG2-CE2 4.35Å; T48-Y51 PolarHBondContact O-N 3.1Å; T48-Y51 VanDerWaalsContact O-N 3.11Å; P49-Y51 PolarHBondContact O-N 2.92Å; Y51-A53 PolarHBondContact O-N 2.72Å; Y51-A73 HydrophobicContact CD1-CB 4.48Å; Y51-C76 HydrophobicContact CD1-CB 3.91Å; Y51-C76 HydrophobicContact CE1-CB 4.25Å; Y51-I77 HydrophobicContact CD1-CG1 4.3Å; Y51-I77 HydrophobicContact CE1-CG1 3.74Å; Y51-H86 AromaticContact CE1-NE2 3.92Å
52R93.4Very high90.2Very high21 Ų2150 Ų508%0.07925%0.251CS..  trans-68.6133.6-178.5-71.9-179.7-171.5158.27.1111.4L43 N44 T47 P49 M56 L57 W72 I96L43-R52 PolarHBondContact O-NH2 3.43Å; N44-R52 PolarHBondContact OD1-NH1 3.14Å; T47-R52 PolarHBondContact O-NH2 3.36Å; T47-R52 PolarHBondContact OG1-NE 3.17Å; T47-R52 PolarHBondContact OG1-NH2 2.83Å; P49-R52 PolarHBondContact O-N 2.95Å; R52-M56 HydrophobicContact CB-CB 4.34Å; R52-M56 HydrophobicContact CB-SD 4.18Å; R52-M56 HydrophobicContact CG-CE 4.18Å; R52-M56 HydrophobicContact CG-SD 4.28Å; R52-L57 HydrophobicContact CB-CD2 4.08Å; R52-L57 HydrophobicContact CB-CG 4.4Å; R52-W72 PolarHBondContact O-NE1 3.34Å; R52-W72 VanDerWaalsContact O-NE1 3.15Å; R52-I96 WeakPolarHBondContact O-CG2 3.23Å
53A95.6Very high90.3Very high0 Ų049 Ų490%025%0.247CC..  trans-75.7157.5173.900000111.6Y51 E55 M56 I69 W72Y51-A53 PolarHBondContact O-N 2.72Å; A53-E55 VanDerWaalsContact C-N 3.29Å; A53-E55 VanDerWaalsContact CB-CD 3.46Å; A53-E55 HydrophobicContact CB-CG 4.45Å; A53-E55 WeakPolarHBondContact CB-OE2 3.21Å; A53-E55 PolarHBondContact O-N 2.81Å; A53-M56 HydrophobicContact CB-CG 4.39Å; A53-M56 HydrophobicContact CB-SD 4.2Å; A53-M56 PolarHBondContact N-SD 2.89Å; A53-M56 WeakPolarHBondContact O-CB 3.26Å; A53-M56 PolarHBondContact O-N 2.96Å; A53-I69 HydrophobicContact CB-CB 4.21Å; A53-I69 HydrophobicContact CB-CG2 4.07Å; A53-W72 HydrophobicContact CB-CB 3.76Å; A53-W72 HydrophobicContact CB-CD2 4.24Å; A53-W72 HydrophobicContact CB-CG 3.66Å
54P95.5Very high90.5Very high0 Ų049.3 Ų49.30%025%0.249CC..Hα-helixtrans-50.8-42.3-179.8-30.737.8000114.7M56 L57 D58 W72 I96 L97 V123P54-M56 PolarHBondContact O-N 3.21Å; P54-L57 WeakPolarHBondContact O-CB 3.48Å; P54-L57 PolarHBondContact O-N 2.86Å; P54-D58 PolarHBondContact O-N 3.48Å; P54-D58 VanDerWaalsContact O-N 3.12Å; P54-W72 HydrophobicContact CG-CE3 4.23Å; P54-W72 HydrophobicContact CG-CH2 3.75Å; P54-W72 HydrophobicContact CG-CZ2 4.15Å; P54-W72 HydrophobicContact CG-CZ3 3.79Å; P54-I96 HydrophobicContact CG-CG2 4.16Å; P54-I96 WeakPolarHBondContact CG-O 3.41Å; P54-L97 HydrophobicContact CB-CD2 4.25Å; P54-L97 WeakPolarHBondContact O-CD2 3.12Å; P54-V123 HydrophobicContact CB-CG1 4.13Å; P54-V123 HydrophobicContact CG-CG1 4.33Å
55E95Very high90.9Very high3 Ų345.9 Ų45.91%0.01423%0.231CC..Hα-helixtrans-65.3-22.8179.365.7-88.5-148.100113.5A53 L57 Q63 I65 I69 P125 R128A53-E55 VanDerWaalsContact C-N 3.29Å; A53-E55 VanDerWaalsContact CB-CD 3.46Å; A53-E55 HydrophobicContact CB-CG 4.45Å; A53-E55 WeakPolarHBondContact CB-OE2 3.21Å; A53-E55 PolarHBondContact O-N 2.81Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-Q63 HydrophobicContact CB-CB 3.68Å; E55-I65 HydrophobicContact CB-CG1 4.29Å; E55-I65 HydrophobicContact CG-CG1 3.98Å; E55-I65 WeakPolarHBondContact O-CD1 3.45Å; E55-I69 HydrophobicContact CG-CG2 4.18Å; E55-I69 WeakPolarHBondContact OE1-CG2 3.33Å; E55-P125 HydrophobicContact CB-CG 4.25Å; E55-P125 HydrophobicContact CG-CG 4.09Å; E55-P125 WeakPolarHBondContact OE1-CG 3.41Å; E55-R128 IonicContact OE1-CZ 3.93Å; E55-R128 IonicContact OE1-NH1 3.37Å; E55-R128 PolarHBondContact OE1-NH1 3.32Å; E55-R128 IonicContact OE1-NH2 2.8Å; E55-R128 PolarHBondContact OE1-NH2 3.33Å; E55-R128 IonicContact OE2-CZ 3.88Å; E55-R128 IonicContact OE2-NH1 2.71Å; E55-R128 PolarHBondContact OE2-NH1 2.9Å; E55-R128 IonicContact OE2-NH2 2.62Å; E55-R128 PolarHBondContact OE2-NH2 2.92Å
56M94.2Very high91.3Very high15 Ų1539.1 Ų39.17%0.07420%0.203CC..Hα-helixtrans-79.8-19.9174-58.3171.979.600112L43 T47 R52 A53 P54 I65 I69L43-M56 HydrophobicContact CD1-CB 4.04Å; L43-M56 HydrophobicContact CD1-CG 4.49Å; L43-M56 HydrophobicContact CD2-CE 3.82Å; T47-M56 HydrophobicContact CG2-CE 3.5Å; R52-M56 HydrophobicContact CB-CB 4.34Å; R52-M56 HydrophobicContact CB-SD 4.18Å; R52-M56 HydrophobicContact CG-CE 4.18Å; R52-M56 HydrophobicContact CG-SD 4.28Å; A53-M56 HydrophobicContact CB-CG 4.39Å; A53-M56 HydrophobicContact CB-SD 4.2Å; A53-M56 PolarHBondContact N-SD 2.89Å; A53-M56 WeakPolarHBondContact O-CB 3.26Å; A53-M56 PolarHBondContact O-N 2.96Å; P54-M56 PolarHBondContact O-N 3.21Å; M56-I65 HydrophobicContact CG-CG2 4.12Å; M56-I69 HydrophobicContact CE-CD1 4.23Å; M56-I69 HydrophobicContact CG-CG2 3.95Å; M56-I69 HydrophobicContact SD-CB 3.98Å; M56-I69 HydrophobicContact SD-CD1 4.18Å; M56-I69 HydrophobicContact SD-CG2 3.87Å
57L92.1Very high91.8Very high25 Ų2542.9 Ų42.913%0.13122%0.215CC..Hα-helixtrans-95.9-23.2-178.7-60-177.7000112.7R52 P54 E55 K93 I96 L97R52-L57 HydrophobicContact CB-CD2 4.08Å; R52-L57 HydrophobicContact CB-CG 4.4Å; P54-L57 WeakPolarHBondContact O-CB 3.48Å; P54-L57 PolarHBondContact O-N 2.86Å; E55-L57 VanDerWaalsContact C-N 3.33Å; L57-K93 HydrophobicContact CB-CG 4.37Å; L57-K93 HydrophobicContact CD1-CG 4.25Å; L57-K93 WeakPolarHBondContact O-CE 3.4Å; L57-K93 PolarHBondContact O-NZ 3.37Å; L57-I96 HydrophobicContact CD1-CB 3.73Å; L57-I96 HydrophobicContact CD1-CD1 3.84Å; L57-I96 HydrophobicContact CD1-CG1 4.39Å; L57-I96 HydrophobicContact CD1-CG2 3.47Å; L57-I96 VanDerWaalsContact CD1-CG2 3.47Å; L57-L97 HydrophobicContact CB-CD2 4.13Å
58D91.4Very high92.2Very high41 Ų4144 Ų4422%0.21922%0.215CC..  trans-137.587179.7-1712.5000112.3P54 Y60 Q61 L97P54-D58 PolarHBondContact O-N 3.48Å; P54-D58 VanDerWaalsContact O-N 3.12Å; D58-Y60 PolarHBondContact O-N 3.25Å; D58-Y60 VanDerWaalsContact O-N 3.13Å; D58-Y60 WeakPolarHBondContact OD1-CB 3.4Å; D58-Y60 PolarHBondContact OD1-N 2.99Å; D58-Y60 VanDerWaalsContact OD1-N 3.12Å; D58-Q61 HydrophobicContact CB-CG 4.34Å; D58-Q61 PolarHBondContact O-N 2.9Å; D58-Q61 WeakPolarHBondContact OD2-CG 3.5Å; D58-Q61 PolarHBondContact OD2-NE2 3.39Å; D58-L97 HydrophobicContact CB-CD2 3.74Å
59S89.8Confident92.7Very high5 Ų541.2 Ų41.24%0.03520%0.196CC..G310 helixtrans-67.5-6.7177.265.10000114.1R36 E40R36-S59 WeakPolarHBondContact CB-OG 3.38Å; R36-S59 WeakPolarHBondContact CD-OG 3.33Å; R36-S59 PolarHBondContact NE-O 3.36Å; E40-S59 PolarHBondContact OE1-OG 3.33Å; E40-S59 VanDerWaalsContact OE1-OG 3.07Å
60Y90.8Very high93.1Very high128 Ų12843 Ų4350%0.50220%0.202SC..G310 helixtrans-86.6-12.6177.8-69.5-91.9000113.2D58 N62D58-Y60 PolarHBondContact O-N 3.25Å; D58-Y60 VanDerWaalsContact O-N 3.13Å; D58-Y60 WeakPolarHBondContact OD1-CB 3.4Å; D58-Y60 PolarHBondContact OD1-N 2.99Å; D58-Y60 VanDerWaalsContact OD1-N 3.12Å; Y60-N62 PolarHBondContact O-N 3.45Å
61Q90.2Very high93.5Very high77 Ų7740.3 Ų40.336%0.3619%0.189SC..G310 helixtrans-75.8-4.6171.3-65.5-177.732.100113D58 Q63D58-Q61 HydrophobicContact CB-CG 4.34Å; D58-Q61 PolarHBondContact O-N 2.9Å; D58-Q61 WeakPolarHBondContact OD2-CG 3.5Å; D58-Q61 PolarHBondContact OD2-NE2 3.39Å; Q61-Q63 HydrophobicContact CB-CG 3.96Å; Q61-Q63 PolarHBondContact O-N 2.8Å; Q61-Q63 VanDerWaalsContact O-N 3.08Å; Q61-Q63 PolarHBondContact O-NE2 2.84Å
62N92Very high93.7Very high44 Ų4437.5 Ų37.524%0.23518%0.178CC..  trans52.131178.7-59.2-41.3000113.5P27 D28 N29 R36 Y60P27-N62 WeakPolarHBondContact O-CA 3.34Å; P27-N62 VanDerWaalsContact O-CB 3.3Å; P27-N62 WeakPolarHBondContact O-CB 3.43Å; D28-N62 PolarHBondContact O-OD1 3.29Å; N29-N62 PolarHBondContact OD1-ND2 2.67Å; R36-N62 PolarHBondContact NH2-OD1 3.02Å; Y60-N62 PolarHBondContact O-N 3.45Å
63Q93.7Very high93.8Very high49 Ų4937.4 Ų37.423%0.22918%0.182CC..  trans-79.6143.5174.8-63.2-58.1-49.100109.4P27 E55 Q61 I65 P125P27-Q63 WeakPolarHBondContact CD-O 3.35Å; E55-Q63 HydrophobicContact CB-CB 3.68Å; Q61-Q63 HydrophobicContact CB-CG 3.96Å; Q61-Q63 PolarHBondContact O-N 2.8Å; Q61-Q63 VanDerWaalsContact O-N 3.08Å; Q61-Q63 PolarHBondContact O-NE2 2.84Å; Q63-I65 PolarHBondContact O-N 3.06Å; Q63-P125 HydrophobicContact CB-CG 4.08Å
64P94.5Very high93.7Very high22 Ų2240.9 Ų40.914%0.14320%0.2CC..  trans-65.8132.5176.828.4-33.9000110.5K26K26-P64 HydrophobicContact CG-CB 4.37Å
65I94.6Very high93.7Very high4 Ų440.9 Ų40.92%0.02120%0.2CC..BIsolated β-bridgetrans-100.896.3169.6-51.8-177000107.1S24 Y25 L39 L43 E55 M56 Q63 I69S24-I65 CarbonylContact C-O 3.57Å; S24-I65 VanDerWaalsContact CA-O 3.3Å; S24-I65 WeakPolarHBondContact CA-O 3.31Å; Y25-I65 PolarHBondContact N-O 2.73Å; Y25-I65 PolarHBondContact O-N 3.35Å; L39-I65 HydrophobicContact CD2-CD1 3.88Å; L43-I65 HydrophobicContact CD1-CD1 3.95Å; E55-I65 HydrophobicContact CB-CG1 4.29Å; E55-I65 HydrophobicContact CG-CG1 3.98Å; E55-I65 WeakPolarHBondContact O-CD1 3.45Å; M56-I65 HydrophobicContact CG-CG2 4.12Å; Q63-I65 PolarHBondContact O-N 3.06Å; I65-I69 HydrophobicContact CG2-CD1 4.38Å; I65-I69 HydrophobicContact CG2-CG2 3.96Å
66D94.2Very high93.7Very high18 Ų1840.8 Ų40.810%0.09620%0.2CC..SBendtrans-141.4-163.1179.462.627.2000110.3R68 I69D66-R68 PolarHBondContact O-N 2.82Å; D66-R68 WeakPolarHBondContact OD1-CB 3.31Å; D66-R68 WeakPolarHBondContact OD1-CG 3.35Å; D66-R68 IonicContact OD1-CZ 3.22Å; D66-R68 PolarHBondContact OD1-N 3.37Å; D66-R68 IonicContact OD1-NH1 2.79Å; D66-R68 PolarHBondContact OD1-NH1 2.85Å; D66-R68 IonicContact OD2-CZ 3.29Å; D66-R68 IonicContact OD2-NH1 2.78Å; D66-R68 PolarHBondContact OD2-NH1 2.88Å; D66-I69 VanDerWaalsContact O-CG1 3.29Å; D66-I69 WeakPolarHBondContact O-CG1 3.19Å; D66-I69 WeakPolarHBondContact O-CG2 3.44Å; D66-I69 PolarHBondContact O-N 3.3Å
67Q93.8Very high93.7Very high129 Ų12941.9 Ų41.960%0.60321%0.206SC*.THydrogen-bonded Turntrans-54.1-14.3-175.470.4-78.3-200115I69 D70Q67-I69 PolarHBondContact O-N 3.16Å; Q67-D70 WeakPolarHBondContact O-CB 3.46Å; Q67-D70 PolarHBondContact O-N 2.77Å; Q67-D70 VanDerWaalsContact O-N 3.12Å
68R95.3Very high93.7Very high65 Ų6542.1 Ų42.125%0.24521%0.207CC..Hα-helixtrans-67.1-15.7173.9-61.7-174.7-167.879.7-23.8113.2D66 D70 V71 W72 P125 D126 R128D66-R68 PolarHBondContact O-N 2.82Å; D66-R68 WeakPolarHBondContact OD1-CB 3.31Å; D66-R68 WeakPolarHBondContact OD1-CG 3.35Å; D66-R68 IonicContact OD1-CZ 3.22Å; D66-R68 PolarHBondContact OD1-N 3.37Å; D66-R68 IonicContact OD1-NH1 2.79Å; D66-R68 PolarHBondContact OD1-NH1 2.85Å; D66-R68 IonicContact OD2-CZ 3.29Å; D66-R68 IonicContact OD2-NH1 2.78Å; D66-R68 PolarHBondContact OD2-NH1 2.88Å; R68-D70 VanDerWaalsContact C-N 3.26Å; R68-V71 WeakPolarHBondContact O-CB 3.29Å; R68-V71 PolarHBondContact O-N 3.41Å; R68-W72 PolarHBondContact O-N 2.85Å; R68-P125 HydrophobicContact CB-CB 4.16Å; R68-P125 WeakPolarHBondContact CD-O 3.5Å; R68-D126 IonicContact CZ-OD1 3.08Å; R68-D126 IonicContact NE-OD1 3.68Å; R68-D126 IonicContact NH2-OD1 3.3Å; R68-D126 PolarHBondContact NH2-OD1 3.49Å; R68-R128 PolarHBondContact O-NH1 2.86Å
69I95.2Very high93.9Very high32 Ų3241.3 Ų41.316%0.16420%0.201CC..Hα-helixtrans-65.5-32.4169.570.1-173.6000111.5A53 E55 M56 I65 D66 Q67 V71 W72 A73A53-I69 HydrophobicContact CB-CB 4.21Å; A53-I69 HydrophobicContact CB-CG2 4.07Å; E55-I69 HydrophobicContact CG-CG2 4.18Å; E55-I69 WeakPolarHBondContact OE1-CG2 3.33Å; M56-I69 HydrophobicContact CE-CD1 4.23Å; M56-I69 HydrophobicContact CG-CG2 3.95Å; M56-I69 HydrophobicContact SD-CB 3.98Å; M56-I69 HydrophobicContact SD-CD1 4.18Å; M56-I69 HydrophobicContact SD-CG2 3.87Å; I65-I69 HydrophobicContact CG2-CD1 4.38Å; I65-I69 HydrophobicContact CG2-CG2 3.96Å; D66-I69 VanDerWaalsContact O-CG1 3.29Å; D66-I69 WeakPolarHBondContact O-CG1 3.19Å; D66-I69 WeakPolarHBondContact O-CG2 3.44Å; D66-I69 PolarHBondContact O-N 3.3Å; Q67-I69 PolarHBondContact O-N 3.16Å; I69-V71 VanDerWaalsContact C-N 3.31Å; I69-W72 WeakPolarHBondContact O-CB 3.32Å; I69-W72 PolarHBondContact O-N 3.49Å; I69-A73 PolarHBondContact O-N 3.35Å
70D93.6Very high94Very high103 Ų10344.4 Ų44.455%0.55121%0.212SC*.Hα-helixtrans-70.9-32.5178-58.9-41.4000110.9Q67 R68 A73 L74Q67-D70 WeakPolarHBondContact O-CB 3.46Å; Q67-D70 PolarHBondContact O-N 2.77Å; Q67-D70 VanDerWaalsContact O-N 3.12Å; R68-D70 VanDerWaalsContact C-N 3.26Å; D70-A73 PolarHBondContact O-N 2.73Å; D70-L74 WeakPolarHBondContact O-CB 3.4Å; D70-L74 PolarHBondContact O-N 3.15Å
71V96.8Very high93.9Very high6 Ų642.2 Ų42.24%0.03621%0.209CC..Hα-helixtrans-62.7-43.9172.4174.40000110.5R68 I69 L74 G75 I120 R128 V131 I134R68-V71 WeakPolarHBondContact O-CB 3.29Å; R68-V71 PolarHBondContact O-N 3.41Å; I69-V71 VanDerWaalsContact C-N 3.31Å; V71-L74 WeakPolarHBondContact O-CB 3.22Å; V71-L74 PolarHBondContact O-N 3.33Å; V71-G75 PolarHBondContact O-N 2.86Å; V71-I120 HydrophobicContact CG1-CG2 3.83Å; V71-I120 WeakPolarHBondContact O-CG2 3.34Å; V71-R128 HydrophobicContact CG1-CB 3.98Å; V71-V131 HydrophobicContact CG2-CG2 4.09Å; V71-I134 HydrophobicContact CG1-CD1 3.74Å; V71-I134 HydrophobicContact CG2-CD1 4.41Å
72W96.8Very high93.9Very high0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-60.2-48.9173.9175.5-86.2000111.9R52 A53 P54 R68 I69 L74 G75 C76 F88 I96 A99 L121R52-W72 PolarHBondContact O-NE1 3.34Å; R52-W72 VanDerWaalsContact O-NE1 3.15Å; A53-W72 HydrophobicContact CB-CB 3.76Å; A53-W72 HydrophobicContact CB-CD2 4.24Å; A53-W72 HydrophobicContact CB-CG 3.66Å; P54-W72 HydrophobicContact CG-CE3 4.23Å; P54-W72 HydrophobicContact CG-CH2 3.75Å; P54-W72 HydrophobicContact CG-CZ2 4.15Å; P54-W72 HydrophobicContact CG-CZ3 3.79Å; R68-W72 PolarHBondContact O-N 2.85Å; I69-W72 WeakPolarHBondContact O-CB 3.32Å; I69-W72 PolarHBondContact O-N 3.49Å; W72-L74 VanDerWaalsContact C-N 3.28Å; W72-L74 PolarHBondContact O-N 3.46Å; W72-G75 WeakPolarHBondContact O-CA 3.3Å; W72-G75 PolarHBondContact O-N 2.91Å; W72-C76 PolarHBondContact O-N 3.13Å; W72-F88 HydrophobicContact CH2-CE2 4.01Å; W72-F88 AromaticContact CH2-CZ 3.98Å; W72-F88 HydrophobicContact CH2-CZ 3.98Å; W72-F88 HydrophobicContact CZ2-CD2 4.2Å; W72-F88 AromaticContact CZ2-CE2 3.38Å; W72-F88 HydrophobicContact CZ2-CE2 3.38Å; W72-F88 AromaticContact CZ2-CZ 3.79Å; W72-F88 HydrophobicContact CZ2-CZ 3.79Å; W72-I96 HydrophobicContact CZ2-CG2 3.82Å; W72-A99 HydrophobicContact CH2-CB 3.97Å; W72-A99 HydrophobicContact CZ3-CB 4.24Å; W72-L121 HydrophobicContact CD2-CD2 4.01Å; W72-L121 HydrophobicContact CE3-CD2 4.04Å; W72-L121 HydrophobicContact CH2-CD2 4.44Å; W72-L121 HydrophobicContact CZ2-CD2 4.4Å; W72-L121 HydrophobicContact CZ3-CB 4.3Å; W72-L121 HydrophobicContact CZ3-CD2 4.27Å
73A94.4Very high93.8Very high20 Ų2039 Ų3917%0.16519%0.191CC..Hα-helixtrans-59.4-38.6177.600000112.2Y51 I69 D70 G75 C76 I77Y51-A73 HydrophobicContact CD1-CB 4.48Å; I69-A73 PolarHBondContact O-N 3.35Å; D70-A73 PolarHBondContact O-N 2.73Å; A73-G75 VanDerWaalsContact C-N 3.33Å; A73-G75 PolarHBondContact O-N 3.37Å; A73-C76 WeakPolarHBondContact O-CB 3.21Å; A73-C76 PolarHBondContact O-N 3.48Å; A73-I77 WeakPolarHBondContact O-CG1 3.1Å; A73-I77 PolarHBondContact O-N 3.01Å
74L94Very high93.5Very high73 Ų7341.9 Ų41.938%0.38221%0.206SC..Hα-helixtrans-61.3-39.7173.3-179.464.8000111.9D70 V71 W72 I77 L78 I134D70-L74 WeakPolarHBondContact O-CB 3.4Å; D70-L74 PolarHBondContact O-N 3.15Å; V71-L74 WeakPolarHBondContact O-CB 3.22Å; V71-L74 PolarHBondContact O-N 3.33Å; W72-L74 VanDerWaalsContact C-N 3.28Å; W72-L74 PolarHBondContact O-N 3.46Å; L74-I77 PolarHBondContact O-N 3.49Å; L74-L78 WeakPolarHBondContact O-CB 3.37Å; L74-L78 PolarHBondContact O-N 2.9Å; L74-I134 HydrophobicContact CD2-CD1 4.25Å; L74-I134 HydrophobicContact CD2-CG2 4.39Å
75G95.8Very high93.2Very high0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-62.4-42.4174.400000112.7V71 W72 A73 L78 Y79 I120V71-G75 PolarHBondContact O-N 2.86Å; W72-G75 WeakPolarHBondContact O-CA 3.3Å; W72-G75 PolarHBondContact O-N 2.91Å; A73-G75 VanDerWaalsContact C-N 3.33Å; A73-G75 PolarHBondContact O-N 3.37Å; G75-L78 PolarHBondContact O-N 3.42Å; G75-Y79 WeakPolarHBondContact O-CB 3.39Å; G75-Y79 PolarHBondContact O-N 3.02Å; G75-I120 VanDerWaalsContact CA-CG2 3.4Å
76C95.1Very high93Very high0 Ų044.4 Ų44.40%022%0.22CC..Hα-helixtrans-61.3-43.1173.5-71.80000112.2Y51 W72 A73 Y80 H86 P87Y51-C76 HydrophobicContact CD1-CB 3.91Å; Y51-C76 HydrophobicContact CE1-CB 4.25Å; W72-C76 PolarHBondContact O-N 3.13Å; A73-C76 WeakPolarHBondContact O-CB 3.21Å; A73-C76 PolarHBondContact O-N 3.48Å; C76-Y80 WeakPolarHBondContact O-CB 3.46Å; C76-Y80 PolarHBondContact O-N 2.78Å; C76-H86 WeakPolarHBondContact CB-NE2 3.32Å; C76-P87 HydrophobicContact CB-CG 4.23Å
77I93.1Very high92.9Very high39 Ų3943.7 Ų43.720%0.222%0.217CC..Hα-helixtrans-64.4-44.7176.1-69.1167.7000110.9M1 Y51 A73 L74 Y80 L81M1-I77 HydrophobicContact SD-CG2 3.73Å; Y51-I77 HydrophobicContact CD1-CG1 4.3Å; Y51-I77 HydrophobicContact CE1-CG1 3.74Å; A73-I77 WeakPolarHBondContact O-CG1 3.1Å; A73-I77 PolarHBondContact O-N 3.01Å; L74-I77 PolarHBondContact O-N 3.49Å; I77-Y80 PolarHBondContact O-N 3.44Å; I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 HydrophobicContact CG2-CG 4.38Å; I77-L81 WeakPolarHBondContact O-CB 3.47Å; I77-L81 WeakPolarHBondContact O-CG 3.27Å; I77-L81 PolarHBondContact O-N 2.93Å
78L93.1Very high92.9Very high29 Ų2937.5 Ų37.515%0.15219%0.188CC..Hα-helixtrans-61.6-45.2178.7-176.961.3000111.4L74 G75 L81 C82 L113 L116 I117 I120L74-L78 WeakPolarHBondContact O-CB 3.37Å; L74-L78 PolarHBondContact O-N 2.9Å; G75-L78 PolarHBondContact O-N 3.42Å; L78-L81 PolarHBondContact O-N 3.31Å; L78-C82 PolarHBondContact O-N 2.69Å; L78-C82 VanDerWaalsContact O-N 3.1Å; L78-C82 PolarHBondContact O-SG 3.15Å; L78-L113 HydrophobicContact CD1-CD1 4.11Å; L78-L116 HydrophobicContact CD2-CD2 3.95Å; L78-L116 HydrophobicContact CD2-CG 4.12Å; L78-I117 HydrophobicContact CD2-CG1 3.7Å; L78-I117 HydrophobicContact CG-CD1 4.37Å; L78-I117 HydrophobicContact CG-CG1 3.87Å; L78-I120 HydrophobicContact CD2-CD1 4.27Å
79Y94.4Very high92.4Very high24 Ų2440.5 Ų40.59%0.09421%0.205CC..Hα-helixtrans-59.5-47173.6-176.8-74.7000111G75 L81 C82 Y83 V85 P87 Y101 T102 L103 I117G75-Y79 WeakPolarHBondContact O-CB 3.39Å; G75-Y79 PolarHBondContact O-N 3.02Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 3.33Å; Y79-C82 WeakPolarHBondContact O-CB 3.48Å; Y79-C82 PolarHBondContact O-N 3.37Å; Y79-C82 VanDerWaalsContact O-N 3.08Å; Y79-Y83 AromaticContact CD1-CD2 3.74Å; Y79-Y83 HydrophobicContact CD1-CD2 3.74Å; Y79-Y83 AromaticContact CD2-CD2 3.81Å; Y79-Y83 HydrophobicContact CD2-CD2 3.81Å; Y79-Y83 AromaticContact CD2-CE2 3.85Å; Y79-Y83 HydrophobicContact CD2-CE2 3.85Å; Y79-Y83 AromaticContact CE1-CD2 3.61Å; Y79-Y83 HydrophobicContact CE1-CD2 3.61Å; Y79-Y83 HydrophobicContact CE1-CG 4.29Å; Y79-Y83 AromaticContact CE2-CD2 3.68Å; Y79-Y83 HydrophobicContact CE2-CD2 3.68Å; Y79-Y83 AromaticContact CE2-CE2 3.8Å; Y79-Y83 HydrophobicContact CE2-CE2 3.8Å; Y79-Y83 AromaticContact CG-CD2 3.85Å; Y79-Y83 HydrophobicContact CG-CD2 3.85Å; Y79-Y83 HydrophobicContact CG-CE2 4.25Å; Y79-Y83 AromaticContact CZ-CD2 3.57Å; Y79-Y83 VanDerWaalsContact O-CD2 3.29Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.24Å; Y79-Y83 PolarHBondContact O-N 3.42Å; Y79-V85 WeakPolarHBondContact CD1-O 3.29Å; Y79-V85 WeakPolarHBondContact CE1-O 3.48Å; Y79-P87 HydrophobicContact CD1-CB 3.78Å; Y79-P87 VanDerWaalsContact CD1-CD 3.42Å; Y79-P87 HydrophobicContact CD1-CG 3.99Å; Y79-P87 HydrophobicContact CD2-CB 4.07Å; Y79-P87 HydrophobicContact CE1-CB 3.99Å; Y79-P87 HydrophobicContact CE2-CB 4.26Å; Y79-P87 HydrophobicContact CG-CB 3.83Å; Y79-P87 HydrophobicContact CG-CG 4Å; Y79-Y101 HydrophobicContact CD2-CD2 4.11Å; Y79-Y101 AromaticContact CE2-CD2 3.88Å; Y79-Y101 HydrophobicContact CE2-CD2 3.88Å; Y79-T102 PolarHBondContact OH-O 2.99Å; Y79-L103 HydrophobicContact CD2-CD2 4.01Å; Y79-L103 HydrophobicContact CE2-CD2 3.86Å; Y79-I117 HydrophobicContact CD2-CG2 4.21Å
80Y92.5Very high91.6Very high71 Ų7143 Ų4328%0.27822%0.218SC..Hα-helixtrans-60.8-39.6178.6-175-98.3000112.1M1 C76 I77 C82 Y83 M84 H86M1-Y80 HydrophobicContact CE-CD1 3.8Å; M1-Y80 HydrophobicContact CE-CE1 4.01Å; M1-Y80 HydrophobicContact CG-CD1 4.32Å; M1-Y80 HydrophobicContact SD-CD1 4.46Å; C76-Y80 WeakPolarHBondContact O-CB 3.46Å; C76-Y80 PolarHBondContact O-N 2.78Å; I77-Y80 PolarHBondContact O-N 3.44Å; Y80-C82 VanDerWaalsContact C-N 3.29Å; Y80-C82 PolarHBondContact O-N 2.88Å; Y80-Y83 PolarHBondContact O-N 3.48Å; Y80-M84 WeakPolarHBondContact O-CA 3.12Å; Y80-M84 PolarHBondContact O-N 3.22Å; Y80-H86 HydrophobicContact CD2-CB 4.26Å
81L89.8Confident90.7Very high82 Ų8240.1 Ų40.143%0.42921%0.206SC..Hα-helixtrans-65.7-29.4174.8-76.2169.7000113.2M1 I77 L78 Y79 M84M1-L81 HydrophobicContact CE-CD2 3.27Å; M1-L81 HydrophobicContact CE-CG 3.85Å; M1-L81 HydrophobicContact SD-CD2 4.09Å; M1-L81 HydrophobicContact SD-CG 4.18Å; I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 HydrophobicContact CG2-CG 4.38Å; I77-L81 WeakPolarHBondContact O-CB 3.47Å; I77-L81 WeakPolarHBondContact O-CG 3.27Å; I77-L81 PolarHBondContact O-N 2.93Å; L78-L81 PolarHBondContact O-N 3.31Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 3.33Å; L81-M84 WeakPolarHBondContact O-CE 3.33Å
82C88.8Confident89.9Confident8 Ų841.3 Ų41.35%0.05422%0.217CC..Hα-helixtrans-76.3-43.8176.3-63.70000111.8L78 Y79 Y80 C110L78-C82 PolarHBondContact O-N 2.69Å; L78-C82 VanDerWaalsContact O-N 3.1Å; L78-C82 PolarHBondContact O-SG 3.15Å; Y79-C82 WeakPolarHBondContact O-CB 3.48Å; Y79-C82 PolarHBondContact O-N 3.37Å; Y79-C82 VanDerWaalsContact O-N 3.08Å; Y80-C82 VanDerWaalsContact C-N 3.29Å; Y80-C82 PolarHBondContact O-N 2.88Å; C82-C110 HydrophobicContact CB-CB 3.71Å
83Y89.6Confident89.5Confident45 Ų4546.6 Ų46.618%0.17624%0.24CC..Hα-helixtrans-116.7-5.5-165.2-54.9-59.9000115.6Y79 Y80 V85 L103 P104 D107 H114 I117Y79-Y83 AromaticContact CD1-CD2 3.74Å; Y79-Y83 HydrophobicContact CD1-CD2 3.74Å; Y79-Y83 AromaticContact CD2-CD2 3.81Å; Y79-Y83 HydrophobicContact CD2-CD2 3.81Å; Y79-Y83 AromaticContact CD2-CE2 3.85Å; Y79-Y83 HydrophobicContact CD2-CE2 3.85Å; Y79-Y83 AromaticContact CE1-CD2 3.61Å; Y79-Y83 HydrophobicContact CE1-CD2 3.61Å; Y79-Y83 HydrophobicContact CE1-CG 4.29Å; Y79-Y83 AromaticContact CE2-CD2 3.68Å; Y79-Y83 HydrophobicContact CE2-CD2 3.68Å; Y79-Y83 AromaticContact CE2-CE2 3.8Å; Y79-Y83 HydrophobicContact CE2-CE2 3.8Å; Y79-Y83 AromaticContact CG-CD2 3.85Å; Y79-Y83 HydrophobicContact CG-CD2 3.85Å; Y79-Y83 HydrophobicContact CG-CE2 4.25Å; Y79-Y83 AromaticContact CZ-CD2 3.57Å; Y79-Y83 VanDerWaalsContact O-CD2 3.29Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.24Å; Y79-Y83 PolarHBondContact O-N 3.42Å; Y80-Y83 PolarHBondContact O-N 3.48Å; Y83-V85 PolarHBondContact O-N 3Å; Y83-L103 HydrophobicContact CE2-CD2 3.77Å; Y83-P104 HydrophobicContact CD1-CG 4.12Å; Y83-P104 HydrophobicContact CE1-CG 3.73Å; Y83-D107 WeakPolarHBondContact CE1-OD2 3.46Å; Y83-D107 PolarHBondContact OH-OD2 2.83Å; Y83-H114 PolarHBondContact OH-CD2 3.34Å; Y83-H114 PolarHBondContact OH-NE2 3.48Å; Y83-I117 HydrophobicContact CE2-CD1 4.45Å
84M88.7Confident89.2Confident109 Ų10951.1 Ų51.154%0.53726%0.261SS..SBendtrans56.917.1-174.8-57.4-65.4134.400114.2Y80 L81Y80-M84 WeakPolarHBondContact O-CA 3.12Å; Y80-M84 PolarHBondContact O-N 3.22Å; L81-M84 WeakPolarHBondContact O-CE 3.33Å
85V87Confident89.1Confident69 Ų6951 Ų5142%0.41826%0.255SS..SBendtrans-133137177.4179.50000107.7Y79 Y83Y79-V85 WeakPolarHBondContact CD1-O 3.29Å; Y79-V85 WeakPolarHBondContact CE1-O 3.48Å; Y83-V85 PolarHBondContact O-N 3Å
86H91.8Very high89Confident10 Ų1051 Ų515%0.04626%0.256CS..  trans-75.3138.9-179-171.7-89.7000109.5M50 Y51 C76 Y80 F88 E89M50-H86 HydrophobicContact CG-CB 4.48Å; M50-H86 WeakPolarHBondContact CG-CE1 3.44Å; M50-H86 WeakPolarHBondContact CG-ND1 3.33Å; M50-H86 WeakPolarHBondContact CG-NE2 3.44Å; M50-H86 PolarHBondContact O-CE1 3.46Å; M50-H86 PolarHBondContact O-NE2 3.4Å; M50-H86 HydrophobicContact SD-CB 3.99Å; Y51-H86 AromaticContact CE1-NE2 3.92Å; C76-H86 WeakPolarHBondContact CB-NE2 3.32Å; Y80-H86 HydrophobicContact CD2-CB 4.26Å; H86-F88 VanDerWaalsContact ND1-C 3.26Å; H86-F88 PolarHBondContact ND1-N 2.91Å; H86-F88 VanDerWaalsContact ND1-N 3.11Å; H86-F88 PolarHBondContact ND1-O 3.35Å; H86-F88 PolarHBondContact O-N 2.88Å; H86-E89 HydrophobicContact CB-CB 4.28Å; H86-E89 PolarHBondContact O-N 3.46Å
87P92.2Very high88.9Confident3 Ų352.2 Ų52.22%0.01926%0.262CS..THydrogen-bonded Turntrans-60-25-176.822.3-31.7000113.1C76 Y79 R95 Y101C76-P87 HydrophobicContact CB-CG 4.23Å; Y79-P87 HydrophobicContact CD1-CB 3.78Å; Y79-P87 VanDerWaalsContact CD1-CD 3.42Å; Y79-P87 HydrophobicContact CD1-CG 3.99Å; Y79-P87 HydrophobicContact CD2-CB 4.07Å; Y79-P87 HydrophobicContact CE1-CB 3.99Å; Y79-P87 HydrophobicContact CE2-CB 4.26Å; Y79-P87 HydrophobicContact CG-CB 3.83Å; Y79-P87 HydrophobicContact CG-CG 4Å; P87-R95 PolarHBondContact O-NH2 2.99Å; P87-R95 VanDerWaalsContact O-NH2 3.16Å; P87-Y101 HydrophobicContact CB-CG 4.38Å
88F93.1Very high88.9Confident0 Ų055.7 Ų55.70%028%0.281CS..THydrogen-bonded Turntrans-130.954.8178.6-44.6-71.2000111.1W72 H86 D90 S91 R95 I96 Y101W72-F88 HydrophobicContact CH2-CE2 4.01Å; W72-F88 AromaticContact CH2-CZ 3.98Å; W72-F88 HydrophobicContact CH2-CZ 3.98Å; W72-F88 HydrophobicContact CZ2-CD2 4.2Å; W72-F88 AromaticContact CZ2-CE2 3.38Å; W72-F88 HydrophobicContact CZ2-CE2 3.38Å; W72-F88 AromaticContact CZ2-CZ 3.79Å; W72-F88 HydrophobicContact CZ2-CZ 3.79Å; H86-F88 VanDerWaalsContact ND1-C 3.26Å; H86-F88 PolarHBondContact ND1-N 2.91Å; H86-F88 VanDerWaalsContact ND1-N 3.11Å; H86-F88 PolarHBondContact ND1-O 3.35Å; H86-F88 PolarHBondContact O-N 2.88Å; F88-D90 PolarHBondContact O-N 2.94Å; F88-S91 PolarHBondContact O-N 3.05Å; F88-R95 HydrophobicContact CD1-CB 3.93Å; F88-R95 HydrophobicContact CE1-CB 4.36Å; F88-I96 HydrophobicContact CB-CD1 4.31Å; F88-I96 HydrophobicContact CB-CG1 3.82Å; F88-I96 HydrophobicContact CD1-CG1 4.03Å; F88-I96 HydrophobicContact CD2-CG1 4.05Å; F88-I96 HydrophobicContact CG-CG1 3.68Å; F88-Y101 HydrophobicContact CE1-CD1 4.45Å; F88-Y101 AromaticContact CZ-CD1 3.97Å; F88-Y101 HydrophobicContact CZ-CD1 3.97Å
89E84Confident89Confident127 Ų12755.1 Ų55.159%0.59328%0.28SS*.THydrogen-bonded Turntrans-55.4-33.8-17568.1178.9-170.900114.1H86 S91H86-E89 HydrophobicContact CB-CB 4.28Å; H86-E89 PolarHBondContact O-N 3.46Å; E89-S91 PolarHBondContact O-N 3.47Å
90D79Confident88.9Confident85 Ų8558.3 Ų58.346%0.45530%0.299SS..THydrogen-bonded Turntrans-75.3-8.617856.34.6000112.8F88 A92 R95F88-D90 PolarHBondContact O-N 2.94Å; D90-A92 HydrophobicContact CB-CB 4.32Å; D90-A92 PolarHBondContact O-N 3.32Å; D90-A92 VanDerWaalsContact O-N 3.13Å; D90-A92 WeakPolarHBondContact OD1-CB 3.48Å; D90-A92 PolarHBondContact OD1-N 3.02Å; D90-A92 VanDerWaalsContact OD2-CB 3.28Å; D90-A92 WeakPolarHBondContact OD2-CB 3.33Å; D90-R95 IonicContact OD2-NH1 2.71Å
91S74.9Confident88.9Confident42 Ų4256.9 Ų56.929%0.29429%0.293SS..  trans48.832.3-168.4-56.40000112F88 E89 K93F88-S91 PolarHBondContact O-N 3.05Å; E89-S91 PolarHBondContact O-N 3.47Å; S91-K93 PolarHBondContact O-N 2.93Å
92A81Confident89Confident32 Ų3257.6 Ų57.626%0.26430%0.301SS..  trans-66.3112-176.800000109.9D90 L94 R95 I96D90-A92 HydrophobicContact CB-CB 4.32Å; D90-A92 PolarHBondContact O-N 3.32Å; D90-A92 VanDerWaalsContact O-N 3.13Å; D90-A92 WeakPolarHBondContact OD1-CB 3.48Å; D90-A92 PolarHBondContact OD1-N 3.02Å; D90-A92 VanDerWaalsContact OD2-CB 3.28Å; D90-A92 WeakPolarHBondContact OD2-CB 3.33Å; A92-L94 PolarHBondContact O-N 3.11Å; A92-L94 VanDerWaalsContact O-N 3.09Å; A92-R95 HydrophobicContact CB-CB 4.3Å; A92-R95 HydrophobicContact CB-CG 4.14Å; A92-R95 PolarHBondContact O-N 3.42Å; A92-I96 PolarHBondContact O-N 2.86Å; A92-I96 VanDerWaalsContact O-N 3.13Å
93K87.4Confident89.1Confident110 Ų11059.2 Ų59.248%0.47831%0.309SS..Hα-helixtrans-48.1-43.8-176.5-176171.4-177.8168.30112.6L57 S91 I96 L97L57-K93 HydrophobicContact CB-CG 4.37Å; L57-K93 HydrophobicContact CD1-CG 4.25Å; L57-K93 WeakPolarHBondContact O-CE 3.4Å; L57-K93 PolarHBondContact O-NZ 3.37Å; S91-K93 PolarHBondContact O-N 2.93Å; K93-I96 PolarHBondContact O-N 2.79Å; K93-L97 HydrophobicContact CD-CD1 4.42Å; K93-L97 HydrophobicContact CG-CD1 3.75Å; K93-L97 HydrophobicContact CG-CG 4.19Å; K93-L97 VanDerWaalsContact O-CB 3.32Å; K93-L97 WeakPolarHBondContact O-CB 3.41Å; K93-L97 WeakPolarHBondContact O-CG 3.39Å; K93-L97 PolarHBondContact O-N 3.08Å
94L89Confident88.9Confident115 Ų11559.7 Ų59.760%0.60232%0.318SS*.Hα-helixtrans-67.6-33.9179.5-72.9172.7000113.7A92 N98A92-L94 PolarHBondContact O-N 3.11Å; A92-L94 VanDerWaalsContact O-N 3.09Å; L94-N98 WeakPolarHBondContact O-CB 3.28Å; L94-N98 PolarHBondContact O-N 2.94Å; L94-N98 PolarHBondContact O-ND2 3.11Å
95R91.9Very high88.4Confident70 Ų7064 Ų6426%0.26434%0.337SS..Hα-helixtrans-70.8-41.9176.9-68.9-174.764.6-170.6-3110.7P87 F88 D90 A92 N98 A99 N100P87-R95 PolarHBondContact O-NH2 2.99Å; P87-R95 VanDerWaalsContact O-NH2 3.16Å; F88-R95 HydrophobicContact CD1-CB 3.93Å; F88-R95 HydrophobicContact CE1-CB 4.36Å; D90-R95 IonicContact OD2-NH1 2.71Å; A92-R95 HydrophobicContact CB-CB 4.3Å; A92-R95 HydrophobicContact CB-CG 4.14Å; A92-R95 PolarHBondContact O-N 3.42Å; R95-N98 CarbonylContact O-C 3.39Å; R95-N98 PolarHBondContact O-N 3.45Å; R95-A99 CarbonylContact O-C 3.53Å; R95-A99 WeakPolarHBondContact O-CA 3.47Å; R95-A99 PolarHBondContact O-N 3.02Å; R95-N100 HydrophobicContact CB-CB 4.27Å; R95-N100 HydrophobicContact CG-CB 4.39Å; R95-N100 PolarHBondContact NE-O 3.4Å; R95-N100 PolarHBondContact NH2-O 2.61Å; R95-N100 PolarHBondContact O-N 3.06Å
96I93.4Very high88.1Confident2 Ų269.9 Ų69.91%0.0136%0.357CS..Hα-helixtrans-63.1-51.7175.9-62.1168.4000110.1R52 P54 L57 W72 F88 A92 K93 N98 A99R52-I96 WeakPolarHBondContact O-CG2 3.23Å; P54-I96 HydrophobicContact CG-CG2 4.16Å; P54-I96 WeakPolarHBondContact CG-O 3.41Å; L57-I96 HydrophobicContact CD1-CB 3.73Å; L57-I96 HydrophobicContact CD1-CD1 3.84Å; L57-I96 HydrophobicContact CD1-CG1 4.39Å; L57-I96 HydrophobicContact CD1-CG2 3.47Å; L57-I96 VanDerWaalsContact CD1-CG2 3.47Å; W72-I96 HydrophobicContact CZ2-CG2 3.82Å; F88-I96 HydrophobicContact CB-CD1 4.31Å; F88-I96 HydrophobicContact CB-CG1 3.82Å; F88-I96 HydrophobicContact CD1-CG1 4.03Å; F88-I96 HydrophobicContact CD2-CG1 4.05Å; F88-I96 HydrophobicContact CG-CG1 3.68Å; A92-I96 PolarHBondContact O-N 2.86Å; A92-I96 VanDerWaalsContact O-N 3.13Å; K93-I96 PolarHBondContact O-N 2.79Å; I96-N98 PolarHBondContact O-N 3.2Å; I96-A99 PolarHBondContact O-N 3.45Å
97L93.1Very high87.6Confident24 Ų2470.8 Ų70.813%0.12636%0.362CS..Hα-helixtrans-58.1-25-179.3-74.2175.5000114P54 L57 D58 K93 V123P54-L97 HydrophobicContact CB-CD2 4.25Å; P54-L97 WeakPolarHBondContact O-CD2 3.12Å; L57-L97 HydrophobicContact CB-CD2 4.13Å; D58-L97 HydrophobicContact CB-CD2 3.74Å; K93-L97 HydrophobicContact CD-CD1 4.42Å; K93-L97 HydrophobicContact CG-CD1 3.75Å; K93-L97 HydrophobicContact CG-CG 4.19Å; K93-L97 VanDerWaalsContact O-CB 3.32Å; K93-L97 WeakPolarHBondContact O-CB 3.41Å; K93-L97 WeakPolarHBondContact O-CG 3.39Å; K93-L97 PolarHBondContact O-N 3.08Å; L97-V123 WeakPolarHBondContact O-CG1 3.11Å
98N92.9Very high86.9Confident113 Ų11378.8 Ų78.860%0.60440%0.404SS*.THydrogen-bonded Turntrans-1087178.3-63.2-57.5000113.2L94 R95 I96 N100L94-N98 WeakPolarHBondContact O-CB 3.28Å; L94-N98 PolarHBondContact O-N 2.94Å; L94-N98 PolarHBondContact O-ND2 3.11Å; R95-N98 CarbonylContact O-C 3.39Å; R95-N98 PolarHBondContact O-N 3.45Å; I96-N98 PolarHBondContact O-N 3.2Å; N98-N100 PolarHBondContact O-N 3.19Å
99A93.7Very high86.4Confident17 Ų1787.9 Ų87.914%0.1444%0.438CS..THydrogen-bonded Turntrans45.443.3-170.800000113.5W72 R95 I96 Y101 L121 V123W72-A99 HydrophobicContact CH2-CB 3.97Å; W72-A99 HydrophobicContact CZ3-CB 4.24Å; R95-A99 CarbonylContact O-C 3.53Å; R95-A99 WeakPolarHBondContact O-CA 3.47Å; R95-A99 PolarHBondContact O-N 3.02Å; I96-A99 PolarHBondContact O-N 3.45Å; A99-Y101 HydrophobicContact CB-CE1 4.39Å; A99-Y101 WeakPolarHBondContact O-CD1 3.41Å; A99-Y101 WeakPolarHBondContact O-CE1 3.46Å; A99-Y101 PolarHBondContact O-N 3.03Å; A99-L121 WeakPolarHBondContact CB-O 3.33Å; A99-V123 HydrophobicContact CB-CG2 3.54Å
100N93Very high86.5Confident90 Ų9082.4 Ų82.448%0.48141%0.414SS..  trans-85.987.2-177.2-174.34.7000111.7R95 N98R95-N100 HydrophobicContact CB-CB 4.27Å; R95-N100 HydrophobicContact CG-CB 4.39Å; R95-N100 PolarHBondContact NE-O 3.4Å; R95-N100 PolarHBondContact NH2-O 2.61Å; R95-N100 PolarHBondContact O-N 3.06Å; N98-N100 PolarHBondContact O-N 3.19Å
101Y92.8Very high86.8Confident41 Ų4179.5 Ų79.516%0.16140%0.404CS..  trans-125.9161.717265.1-85.4000109.9Y79 P87 F88 A99 L103 I117 A118 L121Y79-Y101 HydrophobicContact CD2-CD2 4.11Å; Y79-Y101 AromaticContact CE2-CD2 3.88Å; Y79-Y101 HydrophobicContact CE2-CD2 3.88Å; P87-Y101 HydrophobicContact CB-CG 4.38Å; F88-Y101 HydrophobicContact CE1-CD1 4.45Å; F88-Y101 AromaticContact CZ-CD1 3.97Å; F88-Y101 HydrophobicContact CZ-CD1 3.97Å; A99-Y101 HydrophobicContact CB-CE1 4.39Å; A99-Y101 WeakPolarHBondContact O-CD1 3.41Å; A99-Y101 WeakPolarHBondContact O-CE1 3.46Å; A99-Y101 PolarHBondContact O-N 3.03Å; Y101-L103 HydrophobicContact CD2-CG 4.22Å; Y101-L103 HydrophobicContact CE2-CD1 3.98Å; Y101-L103 HydrophobicContact CE2-CD2 4.26Å; Y101-L103 HydrophobicContact CE2-CG 3.84Å; Y101-I117 HydrophobicContact CE2-CG2 4.04Å; Y101-A118 VanDerWaalsContact OH-CA 3.26Å; Y101-A118 WeakPolarHBondContact OH-CA 3.2Å; Y101-L121 HydrophobicContact CD1-CB 4.46Å; Y101-L121 HydrophobicContact CD1-CD1 3.88Å; Y101-L121 HydrophobicContact CD2-CD1 4.38Å; Y101-L121 HydrophobicContact CE1-CB 3.7Å; Y101-L121 HydrophobicContact CE1-CD1 3.72Å; Y101-L121 HydrophobicContact CE1-CG 4.37Å; Y101-L121 HydrophobicContact CE2-CD1 4.22Å; Y101-L121 HydrophobicContact CG-CD1 4.23Å
102T91.6Very high87.4Confident98 Ų9879.6 Ų79.660%0.60140%0.403SS*.  trans-117.2127.1-175.4-50.50000109.9Y79Y79-T102 PolarHBondContact OH-O 2.99Å
103L90.4Very high87.9Confident42 Ų4279.7 Ų79.722%0.2240%0.399CS..  trans-97.1135.4168.4-67168.2000108.9Y79 Y83 Y101 E105 H114 I117Y79-L103 HydrophobicContact CD2-CD2 4.01Å; Y79-L103 HydrophobicContact CE2-CD2 3.86Å; Y83-L103 HydrophobicContact CE2-CD2 3.77Å; Y101-L103 HydrophobicContact CD2-CG 4.22Å; Y101-L103 HydrophobicContact CE2-CD1 3.98Å; Y101-L103 HydrophobicContact CE2-CD2 4.26Å; Y101-L103 HydrophobicContact CE2-CG 3.84Å; L103-E105 PolarHBondContact O-N 3.27Å; L103-H114 HydrophobicContact CD1-CB 3.87Å; L103-I117 HydrophobicContact CD2-CD1 4.3Å; L103-I117 HydrophobicContact CD2-CG2 4.34Å
104P85.5Confident88.2Confident55 Ų5576.2 Ų76.236%0.35738%0.384SS..  trans-61.9131.6178.2-20.131.3000111.7Y83 K106 D107 H114Y83-P104 HydrophobicContact CD1-CG 4.12Å; Y83-P104 HydrophobicContact CE1-CG 3.73Å; P104-K106 VanDerWaalsContact C-N 3.25Å; P104-K106 PolarHBondContact O-N 2.83Å; P104-D107 HydrophobicContact CB-CB 4.39Å; P104-H114 PolarHBondContact O-CE1 3.14Å; P104-H114 VanDerWaalsContact O-CE1 3.27Å
105E78.4Confident88.4Confident200 Ų20075 Ų7594%0.93538%0.384SS*.SBendtrans-62.9-28.8-177.1-66.3-177.117400114L103L103-E105 PolarHBondContact O-N 3.27Å
106K80.3Confident88.5Confident192 Ų19272 Ų7284%0.83537%0.372SS*.SBendtrans-122.685.9178.1-67.2-175.8-178.8-179.90109.7P104P104-K106 VanDerWaalsContact C-N 3.25Å; P104-K106 PolarHBondContact O-N 2.83Å
107D81.1Confident88.5Confident29 Ų2971.9 Ų71.916%0.15537%0.372CS..  trans-115.590.2180-176.11.7000110.6Y83 P104 R109 C110 G111 H114Y83-D107 WeakPolarHBondContact CE1-OD2 3.46Å; Y83-D107 PolarHBondContact OH-OD2 2.83Å; P104-D107 HydrophobicContact CB-CB 4.39Å; D107-R109 PolarHBondContact O-N 3.34Å; D107-R109 PolarHBondContact OD1-N 2.89Å; D107-C110 PolarHBondContact OD1-N 3.01Å; D107-C110 VanDerWaalsContact OD2-C 3.23Å; D107-C110 WeakPolarHBondContact OD2-CB 3.2Å; D107-G111 VanDerWaalsContact CG-N 3.28Å; D107-G111 WeakPolarHBondContact O-CA 3.37Å; D107-G111 PolarHBondContact O-N 3.31Å; D107-G111 PolarHBondContact OD2-N 3.22Å; D107-H114 WeakPolarHBondContact CB-NE2 3.48Å; D107-H114 IonicContact OD2-CD2 3.39Å; D107-H114 IonicContact OD2-CE1 3.72Å; D107-H114 IonicContact OD2-NE2 2.78Å; D107-H114 PolarHBondContact OD2-NE2 2.87Å
108D78.6Confident88.6Confident170 Ų17072.2 Ų72.291%0.90938%0.378SS*.THydrogen-bonded Turntrans-70.5-19-179-60.7-31.3000112.7
109R81.8Confident88.7Confident191 Ų19174.1 Ų74.172%0.72138%0.377SS*.THydrogen-bonded Turntrans-96.5-47.9-173.1-174.4-176.8170.1-142-2.6112.3D107D107-R109 PolarHBondContact O-N 3.34Å; D107-R109 PolarHBondContact OD1-N 2.89Å
110C85.7Confident88.9Confident13 Ų1373.4 Ų73.49%0.08837%0.371CS..THydrogen-bonded Turntrans-119.95.9-173.1-65.30000113.1C82 D107 V112 L113 H114C82-C110 HydrophobicContact CB-CB 3.71Å; D107-C110 PolarHBondContact OD1-N 3.01Å; D107-C110 VanDerWaalsContact OD2-C 3.23Å; D107-C110 WeakPolarHBondContact OD2-CB 3.2Å; C110-V112 PolarHBondContact O-N 2.51Å; C110-V112 VanDerWaalsContact O-N 3.13Å; C110-L113 WeakPolarHBondContact O-CB 3.32Å; C110-L113 PolarHBondContact O-N 2.86Å; C110-H114 PolarHBondContact O-CD2 3.2Å
111G86.1Confident89Confident24 Ų2469.2 Ų69.225%0.24735%0.348CS..G310 helixtrans-51.2-37177.900000114D107 L113 H114D107-G111 VanDerWaalsContact CG-N 3.28Å; D107-G111 WeakPolarHBondContact O-CA 3.37Å; D107-G111 PolarHBondContact O-N 3.31Å; D107-G111 PolarHBondContact OD2-N 3.22Å; G111-L113 PolarHBondContact O-N 2.83Å; G111-H114 WeakPolarHBondContact CA-NE2 3.41Å; G111-H114 VanDerWaalsContact O-CB 3.31Å; G111-H114 WeakPolarHBondContact O-CB 3.43Å; G111-H114 PolarHBondContact O-N 3.08Å; G111-H114 VanDerWaalsContact O-N 3.08Å
112V88.1Confident89.2Confident43 Ų4370.5 Ų70.526%0.26136%0.356SS..G310 helixtrans-57.7-30.417663.70000113.4C110 P115 L141 Y145C110-V112 PolarHBondContact O-N 2.51Å; C110-V112 VanDerWaalsContact O-N 3.13Å; V112-P115 WeakPolarHBondContact O-CD 3.5Å; V112-L141 HydrophobicContact CG2-CD2 3.57Å; V112-Y145 HydrophobicContact CB-CE2 4.01Å; V112-Y145 HydrophobicContact CG2-CD2 3.96Å; V112-Y145 HydrophobicContact CG2-CE2 3.17Å; V112-Y145 WeakPolarHBondContact CG2-OH 3.47Å
113L91.7Very high89.4Confident35 Ų3567.6 Ų67.618%0.18334%0.338CS..G310 helixtrans-86.6-10.8-178.6-62.9172.7000112.5L78 C110 G111 L116 I117 L141L78-L113 HydrophobicContact CD1-CD1 4.11Å; C110-L113 WeakPolarHBondContact O-CB 3.32Å; C110-L113 PolarHBondContact O-N 2.86Å; G111-L113 PolarHBondContact O-N 2.83Å; L113-L116 HydrophobicContact CD2-CD2 4.4Å; L113-L116 WeakPolarHBondContact O-CB 3.35Å; L113-L116 PolarHBondContact O-N 3.26Å; L113-I117 HydrophobicContact CB-CD1 4.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.4Å; L113-I117 PolarHBondContact O-N 3.07Å; L113-L141 HydrophobicContact CD2-CD1 4.21Å
114H93Very high89.6Confident36 Ų3668.3 Ų68.317%0.16734%0.344CS..Hα-helixtrans-54.5-47.4-179.6-71.4-166.9000113.1Y83 L103 P104 D107 C110 G111 L116 I117 A118Y83-H114 PolarHBondContact OH-CD2 3.34Å; Y83-H114 PolarHBondContact OH-NE2 3.48Å; L103-H114 HydrophobicContact CD1-CB 3.87Å; P104-H114 PolarHBondContact O-CE1 3.14Å; P104-H114 VanDerWaalsContact O-CE1 3.27Å; D107-H114 WeakPolarHBondContact CB-NE2 3.48Å; D107-H114 IonicContact OD2-CD2 3.39Å; D107-H114 IonicContact OD2-CE1 3.72Å; D107-H114 IonicContact OD2-NE2 2.78Å; D107-H114 PolarHBondContact OD2-NE2 2.87Å; C110-H114 PolarHBondContact O-CD2 3.2Å; G111-H114 WeakPolarHBondContact CA-NE2 3.41Å; G111-H114 VanDerWaalsContact O-CB 3.31Å; G111-H114 WeakPolarHBondContact O-CB 3.43Å; G111-H114 PolarHBondContact O-N 3.08Å; G111-H114 VanDerWaalsContact O-N 3.08Å; H114-L116 PolarHBondContact O-N 2.87Å; H114-I117 PolarHBondContact O-N 2.66Å; H114-A118 WeakPolarHBondContact O-CB 3.09Å; H114-A118 PolarHBondContact O-N 3.31Å
115P92.5Very high90.1Very high91 Ų9165.7 Ų65.759%0.59133%0.327SS*.Hα-helixtrans-63.2-34178.8-2134.8000112.2V112 R119V112-P115 WeakPolarHBondContact O-CD 3.5Å; P115-R119 WeakPolarHBondContact O-CB 3.39Å; P115-R119 PolarHBondContact O-N 3.46Å
116L93.8Very high90.9Very high5 Ų560.8 Ų60.83%0.02631%0.307CS..Hα-helixtrans-71.3-46.6177.7-177.761.1000111.3L78 L113 H114 A118 R119 I120 I134 M137 L138 L141L78-L116 HydrophobicContact CD2-CD2 3.95Å; L78-L116 HydrophobicContact CD2-CG 4.12Å; L113-L116 HydrophobicContact CD2-CD2 4.4Å; L113-L116 WeakPolarHBondContact O-CB 3.35Å; L113-L116 PolarHBondContact O-N 3.26Å; H114-L116 PolarHBondContact O-N 2.87Å; L116-A118 VanDerWaalsContact C-N 3.29Å; L116-A118 PolarHBondContact O-N 2.95Å; L116-R119 PolarHBondContact O-N 3.36Å; L116-R119 VanDerWaalsContact O-N 3.16Å; L116-I120 HydrophobicContact CD1-CD1 3.92Å; L116-I120 HydrophobicContact CD1-CG1 4.27Å; L116-I120 HydrophobicContact CG-CD1 3.85Å; L116-I120 VanDerWaalsContact O-CG1 3.27Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 3.22Å; L116-I134 HydrophobicContact CD1-CG2 4.41Å; L116-M137 HydrophobicContact CD1-CB 4.19Å; L116-M137 HydrophobicContact CD1-CE 3.65Å; L116-M137 HydrophobicContact CD1-SD 4.14Å; L116-L138 HydrophobicContact CD2-CD2 3.45Å; L116-L138 VanDerWaalsContact CD2-CD2 3.45Å; L116-L138 HydrophobicContact CD2-CG 3.81Å; L116-L141 HydrophobicContact CD2-CD1 4.47Å
117I95.1Very high91.6Very high0 Ų056.3 Ų56.30%029%0.292CS..Hα-helixtrans-57-46.6175.1-68166.9000109.8L78 Y79 Y83 Y101 L103 L113 H114 R119 I120 L121L78-I117 HydrophobicContact CD2-CG1 3.7Å; L78-I117 HydrophobicContact CG-CD1 4.37Å; L78-I117 HydrophobicContact CG-CG1 3.87Å; Y79-I117 HydrophobicContact CD2-CG2 4.21Å; Y83-I117 HydrophobicContact CE2-CD1 4.45Å; Y101-I117 HydrophobicContact CE2-CG2 4.04Å; L103-I117 HydrophobicContact CD2-CD1 4.3Å; L103-I117 HydrophobicContact CD2-CG2 4.34Å; L113-I117 HydrophobicContact CB-CD1 4.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.4Å; L113-I117 PolarHBondContact O-N 3.07Å; H114-I117 PolarHBondContact O-N 2.66Å; I117-R119 PolarHBondContact O-N 2.87Å; I117-I120 PolarHBondContact O-N 2.92Å; I117-L121 HydrophobicContact CG2-CD1 3.8Å; I117-L121 HydrophobicContact CG2-CG 4.41Å; I117-L121 PolarHBondContact O-N 3.22Å
118A95.1Very high92.4Very high32 Ų3255.4 Ų55.426%0.26429%0.287SS..Hα-helixtrans-62.9-39.3177.100000112.9Y101 H114 L116 I120 Q122Y101-A118 VanDerWaalsContact OH-CA 3.26Å; Y101-A118 WeakPolarHBondContact OH-CA 3.2Å; H114-A118 WeakPolarHBondContact O-CB 3.09Å; H114-A118 PolarHBondContact O-N 3.31Å; L116-A118 VanDerWaalsContact C-N 3.29Å; L116-A118 PolarHBondContact O-N 2.95Å; A118-I120 VanDerWaalsContact C-N 3.31Å; A118-I120 PolarHBondContact O-N 2.61Å; A118-Q122 PolarHBondContact O-NE2 2.77Å
119R94.8Very high93.2Very high153 Ų15347.9 Ų47.958%0.57725%0.247SC*.Hα-helixtrans-67.6-32.1176.6-1657075.9175.56.2112.3P115 L116 I117 Q122 P129 M137P115-R119 WeakPolarHBondContact O-CB 3.39Å; P115-R119 PolarHBondContact O-N 3.46Å; L116-R119 PolarHBondContact O-N 3.36Å; L116-R119 VanDerWaalsContact O-N 3.16Å; I117-R119 PolarHBondContact O-N 2.87Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-P129 HydrophobicContact CG-CG 3.96Å; R119-P129 WeakPolarHBondContact O-CD 3.44Å; R119-M137 HydrophobicContact CG-CE 4.43Å
120I96.9Very high93.8Very high1 Ų141.3 Ų41.31%0.00523%0.23CC..Hα-helixtrans-80.2-45.2-178.9-68170.5000112.1V71 G75 L78 L116 I117 A118 Q122 P129 I134V71-I120 HydrophobicContact CG1-CG2 3.83Å; V71-I120 WeakPolarHBondContact O-CG2 3.34Å; G75-I120 VanDerWaalsContact CA-CG2 3.4Å; L78-I120 HydrophobicContact CD2-CD1 4.27Å; L116-I120 HydrophobicContact CD1-CD1 3.92Å; L116-I120 HydrophobicContact CD1-CG1 4.27Å; L116-I120 HydrophobicContact CG-CD1 3.85Å; L116-I120 VanDerWaalsContact O-CG1 3.27Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 3.22Å; I117-I120 PolarHBondContact O-N 2.92Å; A118-I120 VanDerWaalsContact C-N 3.31Å; A118-I120 PolarHBondContact O-N 2.61Å; I120-Q122 PolarHBondContact O-N 3.45Å; I120-P129 HydrophobicContact CG1-CG 4.18Å; I120-I134 HydrophobicContact CD1-CD1 4.02Å; I120-I134 HydrophobicContact CD1-CG1 4.28Å; I120-I134 HydrophobicContact CD1-CG2 4.23Å; I120-I134 HydrophobicContact CG1-CD1 3.9Å; I120-I134 HydrophobicContact CG1-CG1 4.18Å
121L96.6Very high94.2Very high2 Ų244.7 Ų44.71%0.0125%0.25CS..SBendtrans-8150.6-176-66.6179.6000112.8W72 A99 Y101 I117W72-L121 HydrophobicContact CD2-CD2 4.01Å; W72-L121 HydrophobicContact CE3-CD2 4.04Å; W72-L121 HydrophobicContact CH2-CD2 4.44Å; W72-L121 HydrophobicContact CZ2-CD2 4.4Å; W72-L121 HydrophobicContact CZ3-CB 4.3Å; W72-L121 HydrophobicContact CZ3-CD2 4.27Å; A99-L121 WeakPolarHBondContact CB-O 3.33Å; Y101-L121 HydrophobicContact CD1-CB 4.46Å; Y101-L121 HydrophobicContact CD1-CD1 3.88Å; Y101-L121 HydrophobicContact CD2-CD1 4.38Å; Y101-L121 HydrophobicContact CE1-CB 3.7Å; Y101-L121 HydrophobicContact CE1-CD1 3.72Å; Y101-L121 HydrophobicContact CE1-CG 4.37Å; Y101-L121 HydrophobicContact CE2-CD1 4.22Å; Y101-L121 HydrophobicContact CG-CD1 4.23Å; I117-L121 HydrophobicContact CG2-CD1 3.8Å; I117-L121 HydrophobicContact CG2-CG 4.41Å; I117-L121 PolarHBondContact O-N 3.22Å
122Q96.7Very high94.5Very high68 Ų6851.9 Ų51.932%0.31828%0.275SS..  trans-86.2136.4174.7-64.6-65-4100111.3A118 R119 I120 D127 R128A118-Q122 PolarHBondContact O-NE2 2.77Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; I120-Q122 PolarHBondContact O-N 3.45Å; Q122-D127 HydrophobicContact CB-CB 3.97Å; Q122-D127 HydrophobicContact CG-CB 4.14Å; Q122-R128 HydrophobicContact CB-CG 3.9Å; Q122-R128 PolarHBondContact O-NE 2.9Å; Q122-R128 PolarHBondContact O-NH2 3.46Å
123V95.6Very high94.9Very high38 Ų3854.9 Ų54.923%0.2329%0.286CS..SBendtrans-62.9-49-178.9176.30000110.6P54 L97 A99 R128P54-V123 HydrophobicContact CB-CG1 4.13Å; P54-V123 HydrophobicContact CG-CG1 4.33Å; L97-V123 WeakPolarHBondContact O-CG1 3.11Å; A99-V123 HydrophobicContact CB-CG2 3.54Å; V123-R128 PolarHBondContact O-NH2 3.34Å; V123-R128 VanDerWaalsContact O-NH2 3.11Å
124V94.8Very high95Very high57 Ų5753.4 Ų53.435%0.34528%0.278SS..SBendtrans-76.6125.7178.2-179.90000109D126 D127V124-D126 VanDerWaalsContact C-N 3.31Å; V124-D126 HydrophobicContact CG1-CB 4.39Å; V124-D126 PolarHBondContact O-N 3.08Å; V124-D127 HydrophobicContact CB-CB 4.44Å; V124-D127 WeakPolarHBondContact CB-OD2 3.4Å; V124-D127 PolarHBondContact O-N 3.11Å
125P95.6Very high95Very high0 Ų056 Ų560%029%0.293CS..G310 helixtrans-58.5-40.4-178.4-26.336.1000113.1E55 Q63 R68 D127 R128E55-P125 HydrophobicContact CB-CG 4.25Å; E55-P125 HydrophobicContact CG-CG 4.09Å; E55-P125 WeakPolarHBondContact OE1-CG 3.41Å; Q63-P125 HydrophobicContact CB-CG 4.08Å; R68-P125 HydrophobicContact CB-CB 4.16Å; R68-P125 WeakPolarHBondContact CD-O 3.5Å; P125-D127 PolarHBondContact O-N 3.23Å; P125-R128 VanDerWaalsContact O-CB 3.28Å; P125-R128 WeakPolarHBondContact O-CB 3.31Å; P125-R128 PolarHBondContact O-N 3.49Å
126D94.5Very high95Very high97 Ų9754.6 Ų54.652%0.51929%0.285SS..G310 helixtrans-65.8-20.8-177.7-73-34.8000114.3R68 V124 R128R68-D126 IonicContact CZ-OD1 3.08Å; R68-D126 IonicContact NE-OD1 3.68Å; R68-D126 IonicContact NH2-OD1 3.3Å; R68-D126 PolarHBondContact NH2-OD1 3.49Å; V124-D126 VanDerWaalsContact C-N 3.31Å; V124-D126 HydrophobicContact CG1-CB 4.39Å; V124-D126 PolarHBondContact O-N 3.08Å; D126-R128 VanDerWaalsContact C-N 3.3Å
127D95.8Very high94.8Very high98 Ų9856.8 Ų56.852%0.52430%0.296SS..G310 helixtrans-82.3-11.1175.1-66.4-27.9000112.3Q122 V124 P125Q122-D127 HydrophobicContact CB-CB 3.97Å; Q122-D127 HydrophobicContact CG-CB 4.14Å; V124-D127 HydrophobicContact CB-CB 4.44Å; V124-D127 WeakPolarHBondContact CB-OD2 3.4Å; V124-D127 PolarHBondContact O-N 3.11Å; P125-D127 PolarHBondContact O-N 3.23Å
128R96.7Very high94.6Very high10 Ų1059.1 Ų59.14%0.03831%0.308CS..SBendtrans-76.3135.4176.6-58.6-178.9-162.9142.614.5109.9E55 R68 V71 Q122 V123 P125 D126E55-R128 IonicContact OE1-CZ 3.93Å; E55-R128 IonicContact OE1-NH1 3.37Å; E55-R128 PolarHBondContact OE1-NH1 3.32Å; E55-R128 IonicContact OE1-NH2 2.8Å; E55-R128 PolarHBondContact OE1-NH2 3.33Å; E55-R128 IonicContact OE2-CZ 3.88Å; E55-R128 IonicContact OE2-NH1 2.71Å; E55-R128 PolarHBondContact OE2-NH1 2.9Å; E55-R128 IonicContact OE2-NH2 2.62Å; E55-R128 PolarHBondContact OE2-NH2 2.92Å; R68-R128 PolarHBondContact O-NH1 2.86Å; V71-R128 HydrophobicContact CG1-CB 3.98Å; Q122-R128 HydrophobicContact CB-CG 3.9Å; Q122-R128 PolarHBondContact O-NE 2.9Å; Q122-R128 PolarHBondContact O-NH2 3.46Å; V123-R128 PolarHBondContact O-NH2 3.34Å; V123-R128 VanDerWaalsContact O-NH2 3.11Å; P125-R128 VanDerWaalsContact O-CB 3.28Å; P125-R128 WeakPolarHBondContact O-CB 3.31Å; P125-R128 PolarHBondContact O-N 3.49Å; D126-R128 VanDerWaalsContact C-N 3.3Å
129P95.8Very high94.3Very high12 Ų1263.6 Ų63.68%0.07832%0.321CS..PPolyproline II helixtrans-65.6146.1175.828.4-34.5000110.2R119 I120 E133 I134 M137R119-P129 HydrophobicContact CG-CG 3.96Å; R119-P129 WeakPolarHBondContact O-CD 3.44Å; I120-P129 HydrophobicContact CG1-CG 4.18Å; P129-E133 WeakPolarHBondContact CA-OE2 3.3Å; P129-E133 HydrophobicContact CB-CB 3.97Å; P129-I134 HydrophobicContact CB-CG1 3.98Å; P129-I134 HydrophobicContact CG-CD1 4.03Å; P129-I134 HydrophobicContact CG-CG1 3.62Å; P129-M137 HydrophobicContact CB-CE 3.88Å; P129-M137 HydrophobicContact CG-CE 3.98Å
130S95Very high94Very high52 Ų5261.7 Ų61.736%0.36432%0.319SS..PPolyproline II helixtrans-62.5155.2167.867.10000110.8K132 E133 I134S130-K132 PolarHBondContact O-N 3.45Å; S130-K132 VanDerWaalsContact O-N 3.08Å; S130-E133 WeakPolarHBondContact CB-OE2 3.45Å; S130-E133 PolarHBondContact N-OE2 3Å; S130-E133 WeakPolarHBondContact O-CB 3.34Å; S130-E133 PolarHBondContact O-N 3.16Å; S130-E133 WeakPolarHBondContact OG-CG 3.14Å; S130-E133 PolarHBondContact OG-N 3.17Å; S130-E133 PolarHBondContact OG-OE2 3.14Å; S130-I134 WeakPolarHBondContact O-CG1 3.35Å; S130-I134 PolarHBondContact O-N 2.96Å
131V93.2Very high93.6Very high84 Ų8463.7 Ų63.751%0.50933%0.329SS..Hα-helixtrans-54.4-32.5174.7177.50000111.8V71 I134 L135V71-V131 HydrophobicContact CG2-CG2 4.09Å; V131-I134 PolarHBondContact O-N 3.06Å; V131-L135 HydrophobicContact CG1-CD1 4.23Å; V131-L135 HydrophobicContact CG1-CG 4.48Å; V131-L135 WeakPolarHBondContact O-CB 3.46Å; V131-L135 VanDerWaalsContact O-CG 3.28Å; V131-L135 WeakPolarHBondContact O-CG 3.45Å; V131-L135 PolarHBondContact O-N 3.44Å
132K94.1Very high93.1Very high176 Ų17664 Ų6477%0.76533%0.332SS*.Hα-helixtrans-65.9-42.4176-67-178.1-178.8177.20112.3S130 L135 C136S130-K132 PolarHBondContact O-N 3.45Å; S130-K132 VanDerWaalsContact O-N 3.08Å; K132-L135 PolarHBondContact O-N 3.46Å; K132-C136 PolarHBondContact O-N 2.82Å
133E95.1Very high92.5Very high106 Ų10667.7 Ų67.750%0.49535%0.351SS..Hα-helixtrans-67.9-40.9176.1-71.3160.2144.700111P129 S130 L135 C136 M137P129-E133 WeakPolarHBondContact CA-OE2 3.3Å; P129-E133 HydrophobicContact CB-CB 3.97Å; S130-E133 WeakPolarHBondContact CB-OE2 3.45Å; S130-E133 PolarHBondContact N-OE2 3Å; S130-E133 WeakPolarHBondContact O-CB 3.34Å; S130-E133 PolarHBondContact O-N 3.16Å; S130-E133 WeakPolarHBondContact OG-CG 3.14Å; S130-E133 PolarHBondContact OG-N 3.17Å; S130-E133 PolarHBondContact OG-OE2 3.14Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 3.06Å; E133-C136 WeakPolarHBondContact O-CB 3.39Å; E133-C136 PolarHBondContact O-N 3.2Å; E133-C136 VanDerWaalsContact O-N 3.11Å; E133-M137 WeakPolarHBondContact O-CG 3.47Å; E133-M137 PolarHBondContact O-N 2.81Å
134I94.4Very high91.9Very high4 Ų469.7 Ų69.72%0.02137%0.367CS..Hα-helixtrans-58.3-46.1173.9-63.4170.4000110.8V71 L74 L116 I120 P129 S130 V131 C136 M137 L138V71-I134 HydrophobicContact CG1-CD1 3.74Å; V71-I134 HydrophobicContact CG2-CD1 4.41Å; L74-I134 HydrophobicContact CD2-CD1 4.25Å; L74-I134 HydrophobicContact CD2-CG2 4.39Å; L116-I134 HydrophobicContact CD1-CG2 4.41Å; I120-I134 HydrophobicContact CD1-CD1 4.02Å; I120-I134 HydrophobicContact CD1-CG1 4.28Å; I120-I134 HydrophobicContact CD1-CG2 4.23Å; I120-I134 HydrophobicContact CG1-CD1 3.9Å; I120-I134 HydrophobicContact CG1-CG1 4.18Å; P129-I134 HydrophobicContact CB-CG1 3.98Å; P129-I134 HydrophobicContact CG-CD1 4.03Å; P129-I134 HydrophobicContact CG-CG1 3.62Å; S130-I134 WeakPolarHBondContact O-CG1 3.35Å; S130-I134 PolarHBondContact O-N 2.96Å; V131-I134 PolarHBondContact O-N 3.06Å; I134-C136 VanDerWaalsContact C-N 3.31Å; I134-C136 PolarHBondContact O-N 3.06Å; I134-M137 HydrophobicContact CG1-CE 4.2Å; I134-M137 PolarHBondContact O-N 2.79Å; I134-L138 HydrophobicContact CG2-CD1 3.93Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 WeakPolarHBondContact O-CB 3.49Å; I134-L138 WeakPolarHBondContact O-CG 3.15Å; I134-L138 PolarHBondContact O-N 2.72Å
135L92.2Very high91.3Very high89 Ų8973.8 Ų73.847%0.46638%0.377SS..Hα-helixtrans-63.4-35175.8-73.1171.5000112.6V131 K132 E133 K139V131-L135 HydrophobicContact CG1-CD1 4.23Å; V131-L135 HydrophobicContact CG1-CG 4.48Å; V131-L135 WeakPolarHBondContact O-CB 3.46Å; V131-L135 VanDerWaalsContact O-CG 3.28Å; V131-L135 WeakPolarHBondContact O-CG 3.45Å; V131-L135 PolarHBondContact O-N 3.44Å; K132-L135 PolarHBondContact O-N 3.46Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 3.06Å; L135-K139 WeakPolarHBondContact O-CB 3.39Å; L135-K139 WeakPolarHBondContact O-CG 3.5Å; L135-K139 PolarHBondContact O-N 3.29Å
136C92.4Very high90.5Very high63 Ų6377.1 Ų77.143%0.42641%0.412SS..Hα-helixtrans-65.8-49.3174.9-161.10000111K132 E133 I134 L138 K139 E140K132-C136 PolarHBondContact O-N 2.82Å; E133-C136 WeakPolarHBondContact O-CB 3.39Å; E133-C136 PolarHBondContact O-N 3.2Å; E133-C136 VanDerWaalsContact O-N 3.11Å; I134-C136 VanDerWaalsContact C-N 3.31Å; I134-C136 PolarHBondContact O-N 3.06Å; C136-L138 VanDerWaalsContact C-N 3.34Å; C136-L138 PolarHBondContact O-N 2.82Å; C136-K139 WeakPolarHBondContact O-CB 3.3Å; C136-K139 PolarHBondContact O-N 2.77Å; C136-K139 VanDerWaalsContact O-N 3.15Å; C136-E140 WeakPolarHBondContact O-CG 3.42Å; C136-E140 PolarHBondContact O-N 3.35Å; C136-E140 PolarHBondContact SG-OE1 2.95Å
137M90.9Very high89.8Confident51 Ų5175.2 Ų75.225%0.25141%0.409SS..Hα-helixtrans-60.9-42.2177.2-68.7-176.4-72.300111.9L116 R119 P129 E133 I134 E140 L141L116-M137 HydrophobicContact CD1-CB 4.19Å; L116-M137 HydrophobicContact CD1-CE 3.65Å; L116-M137 HydrophobicContact CD1-SD 4.14Å; R119-M137 HydrophobicContact CG-CE 4.43Å; P129-M137 HydrophobicContact CB-CE 3.88Å; P129-M137 HydrophobicContact CG-CE 3.98Å; E133-M137 WeakPolarHBondContact O-CG 3.47Å; E133-M137 PolarHBondContact O-N 2.81Å; I134-M137 HydrophobicContact CG1-CE 4.2Å; I134-M137 PolarHBondContact O-N 2.79Å; M137-E140 PolarHBondContact O-N 3.45Å; M137-L141 WeakPolarHBondContact O-CB 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.41Å; M137-L141 PolarHBondContact O-N 3.44Å
138L90.5Very high89Confident49 Ų4975.8 Ų75.826%0.25741%0.412SS..Hα-helixtrans-63.8-39.2175.2-78.3171.3000112.1L116 I134 C136 L141 A142 L149L116-L138 HydrophobicContact CD2-CD2 3.45Å; L116-L138 VanDerWaalsContact CD2-CD2 3.45Å; L116-L138 HydrophobicContact CD2-CG 3.81Å; I134-L138 HydrophobicContact CG2-CD1 3.93Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 WeakPolarHBondContact O-CB 3.49Å; I134-L138 WeakPolarHBondContact O-CG 3.15Å; I134-L138 PolarHBondContact O-N 2.72Å; C136-L138 VanDerWaalsContact C-N 3.34Å; C136-L138 PolarHBondContact O-N 2.82Å; L138-L141 PolarHBondContact O-N 3.36Å; L138-A142 WeakPolarHBondContact O-CB 3.49Å; L138-A142 PolarHBondContact O-N 3.12Å; L138-L149 HydrophobicContact CB-CD1 4.34Å
139K89.4Confident88.2Confident126 Ų12679.5 Ų79.555%0.54843%0.433SS..Hα-helixtrans-64.9-41.7174.8-77.2173-177.8-173.80111.8L135 C136 A142 M143 L149L135-K139 WeakPolarHBondContact O-CB 3.39Å; L135-K139 WeakPolarHBondContact O-CG 3.5Å; L135-K139 PolarHBondContact O-N 3.29Å; C136-K139 WeakPolarHBondContact O-CB 3.3Å; C136-K139 PolarHBondContact O-N 2.77Å; C136-K139 VanDerWaalsContact O-N 3.15Å; K139-A142 PolarHBondContact O-N 2.96Å; K139-M143 WeakPolarHBondContact O-CB 3.36Å; K139-M143 VanDerWaalsContact O-CG 3.26Å; K139-M143 WeakPolarHBondContact O-CG 3.39Å; K139-M143 PolarHBondContact O-N 2.9Å; K139-L149 HydrophobicContact CG-CD1 3.86Å
140E88.9Confident87.4Confident112 Ų11286.8 Ų86.852%0.52347%0.466SS..Hα-helixtrans-62.3-45.6175.7-72.4169-160.300111.6C136 M137 M143 S144C136-E140 WeakPolarHBondContact O-CG 3.42Å; C136-E140 PolarHBondContact O-N 3.35Å; C136-E140 PolarHBondContact SG-OE1 2.95Å; M137-E140 PolarHBondContact O-N 3.45Å; E140-M143 HydrophobicContact CG-CE 4.19Å; E140-M143 PolarHBondContact O-N 3.2Å; E140-S144 PolarHBondContact O-N 3.12Å
141L87.5Confident86.4Confident44 Ų4486.7 Ų86.723%0.2347%0.468CS..Hα-helixtrans-63.4-43.1173.9-72.2177.8000112.1V112 L113 L116 M137 L138 M143 S144 Y145V112-L141 HydrophobicContact CG2-CD2 3.57Å; L113-L141 HydrophobicContact CD2-CD1 4.21Å; L116-L141 HydrophobicContact CD2-CD1 4.47Å; M137-L141 WeakPolarHBondContact O-CB 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.41Å; M137-L141 PolarHBondContact O-N 3.44Å; L138-L141 PolarHBondContact O-N 3.36Å; L141-M143 VanDerWaalsContact C-N 3.34Å; L141-M143 PolarHBondContact O-N 2.96Å; L141-S144 PolarHBondContact O-N 3.29Å; L141-S144 PolarHBondContact O-OG 3.3Å; L141-Y145 WeakPolarHBondContact O-CD2 3.35Å; L141-Y145 PolarHBondContact O-N 2.84Å
142A86Confident85.4Confident9 Ų988.5 Ų88.57%0.07447%0.469CS..Hα-helixtrans-61-44177.300000111.6L138 K139 S144 Y145 G146 A147 L149L138-A142 WeakPolarHBondContact O-CB 3.49Å; L138-A142 PolarHBondContact O-N 3.12Å; K139-A142 PolarHBondContact O-N 2.96Å; A142-S144 PolarHBondContact O-N 3.13Å; A142-Y145 PolarHBondContact O-N 3.3Å; A142-G146 CarbonylContact O-C 3.51Å; A142-G146 WeakPolarHBondContact O-CA 3.39Å; A142-G146 PolarHBondContact O-N 3.37Å; A142-A147 HydrophobicContact CB-CB 4.38Å; A142-A147 WeakPolarHBondContact CB-O 3.44Å; A142-A147 PolarHBondContact O-N 2.86Å; A142-L149 HydrophobicContact CB-CD1 3.82Å; A142-L149 HydrophobicContact CB-CD2 3.83Å; A142-L149 HydrophobicContact CB-CG 3.56Å
143M85.1Confident84.3Confident144 Ų14482.9 Ų82.971%0.70945%0.449SS*.Hα-helixtrans-62.8-40174.5-72.7-175.6-61.100112.2K139 E140 L141 Y145K139-M143 WeakPolarHBondContact O-CB 3.36Å; K139-M143 VanDerWaalsContact O-CG 3.26Å; K139-M143 WeakPolarHBondContact O-CG 3.39Å; K139-M143 PolarHBondContact O-N 2.9Å; E140-M143 HydrophobicContact CG-CE 4.19Å; E140-M143 PolarHBondContact O-N 3.2Å; L141-M143 VanDerWaalsContact C-N 3.34Å; L141-M143 PolarHBondContact O-N 2.96Å; M143-Y145 VanDerWaalsContact C-N 3.32Å; M143-Y145 PolarHBondContact O-N 3.27Å
144S83Confident82.6Confident81 Ų8185.6 Ų85.657%0.56646%0.462SS*.Hα-helixtrans-71.1-25.9-18068.60000113.5E140 L141 A142E140-S144 PolarHBondContact O-N 3.12Å; L141-S144 PolarHBondContact O-N 3.29Å; L141-S144 PolarHBondContact O-OG 3.3Å; A142-S144 PolarHBondContact O-N 3.13Å
145Y81Confident80.9Confident142 Ų14291.6 Ų91.656%0.55749%0.493SS*.Hα-helixtrans-103.21178.5-75.6-94.5000114V112 L141 A142 M143 A147V112-Y145 HydrophobicContact CB-CE2 4.01Å; V112-Y145 HydrophobicContact CG2-CD2 3.96Å; V112-Y145 HydrophobicContact CG2-CE2 3.17Å; V112-Y145 WeakPolarHBondContact CG2-OH 3.47Å; L141-Y145 WeakPolarHBondContact O-CD2 3.35Å; L141-Y145 PolarHBondContact O-N 2.84Å; A142-Y145 PolarHBondContact O-N 3.3Å; M143-Y145 VanDerWaalsContact C-N 3.32Å; M143-Y145 PolarHBondContact O-N 3.27Å; Y145-A147 PolarHBondContact O-N 2.78Å
146G79.5Confident78.6Confident71 Ų7189.3 Ų89.373%0.73249%0.491SS*.THydrogen-bonded Turntrans64.423.5-175.700000113.7A142A142-G146 CarbonylContact O-C 3.51Å; A142-G146 WeakPolarHBondContact O-CA 3.39Å; A142-G146 PolarHBondContact O-N 3.37Å
147A79.3Confident75.9Confident56 Ų5692.5 Ų92.546%0.46351%0.511SS..  trans-83.7132.517800000110.2A142 Y145A142-A147 HydrophobicContact CB-CB 4.38Å; A142-A147 WeakPolarHBondContact CB-O 3.44Å; A142-A147 PolarHBondContact O-N 2.86Å; Y145-A147 PolarHBondContact O-N 2.78Å
148D79.9Confident73.6Confident110 Ų11095.7 Ų95.759%0.58853%0.533SS*.  trans-90.8113171176.513.4000109.3E150 A151D148-E150 PolarHBondContact O-N 2.64Å; D148-E150 PolarHBondContact OD1-N 3.31Å; D148-A151 HydrophobicContact CB-CB 3.84Å; D148-A151 VanDerWaalsContact O-CB 3.29Å; D148-A151 WeakPolarHBondContact O-CB 3.36Å; D148-A151 PolarHBondContact O-N 3.24Å; D148-A151 PolarHBondContact OD1-N 2.77Å; D148-A151 PolarHBondContact OD2-N 2.74Å
149L79Confident71Confident89 Ų89101.4 Ų101.447%0.46656%0.559SS.*THydrogen-bonded Turntrans-69.9-18.4179.6-65177.1000113.1L138 K139 A142L138-L149 HydrophobicContact CB-CD1 4.34Å; K139-L149 HydrophobicContact CG-CD1 3.86Å; A142-L149 HydrophobicContact CB-CD1 3.82Å; A142-L149 HydrophobicContact CB-CD2 3.83Å; A142-L149 HydrophobicContact CB-CG 3.56Å
150E78.8Confident68.2Low165 Ų165102.5 Ų102.577%0.77157%0.57SS**THydrogen-bonded Turntrans-97-1.8176.8-61.9-67.9150.900111.9D148D148-E150 PolarHBondContact O-N 2.64Å; D148-E150 PolarHBondContact OD1-N 3.31Å
151A73.9Confident65.6Low49 Ų49101.5 Ų101.541%0.40558%0.576SS.*SBendtrans-63.1149.1175.100000110.6D148 V153D148-A151 HydrophobicContact CB-CB 3.84Å; D148-A151 VanDerWaalsContact O-CB 3.29Å; D148-A151 WeakPolarHBondContact O-CB 3.36Å; D148-A151 PolarHBondContact O-N 3.24Å; D148-A151 PolarHBondContact OD1-N 2.77Å; D148-A151 PolarHBondContact OD2-N 2.74Å; A151-V153 PolarHBondContact O-N 3.12Å
152K72.8Confident62.8Low122 Ų122108.3 Ų108.353%0.5361%0.606SS.*  trans-59.1139.7173.2-63.1-173.1179.8-179.50109.8K9 E10 Q154K9-K152 WeakPolarHBondContact O-CG 3.38Å; E10-K152 HydrophobicContact CB-CB 4.06Å; E10-K152 HydrophobicContact CB-CD 4.36Å; E10-K152 HydrophobicContact CB-CG 4.4Å; E10-K152 WeakPolarHBondContact OE2-CD 3.11Å; K152-Q154 PolarHBondContact O-N 2.79Å
153V71.6Confident60.2Low58 Ų58116 Ų11635%0.35265%0.645SS.*  trans-69.8102174.2-1760000107.7L6 E10 V12 A151 L155L6-V153 HydrophobicContact CD2-CB 4.39Å; L6-V153 HydrophobicContact CD2-CG2 4.48Å; E10-V153 PolarHBondContact O-N 3.22Å; V12-V153 HydrophobicContact CG2-CG2 3.82Å; A151-V153 PolarHBondContact O-N 3.12Å; V153-L155 VanDerWaalsContact C-N 3.29Å; V153-L155 HydrophobicContact CG1-CD2 3.98Å; V153-L155 HydrophobicContact CG1-CG 3.98Å; V153-L155 PolarHBondContact O-N 3.24Å
154Q58.3Low57.5Low163 Ų163112.4 Ų112.476%0.76265%0.645SS**  trans-72.788.6172.6-65.1-177.323.500108.3K152 G156K152-Q154 PolarHBondContact O-N 2.79Å; Q154-G156 PolarHBondContact O-N 2.98Å
155L58.8Low55Low131 Ų131116.4 Ų116.469%0.68666%0.66SS**  trans-76.867.9164.7-66.6179.1000108.4L6 V153L6-L155 HydrophobicContact CD1-CD1 3.41Å; L6-L155 VanDerWaalsContact CD1-CD1 3.41Å; L6-L155 HydrophobicContact CD1-CG 4.29Å; V153-L155 VanDerWaalsContact C-N 3.29Å; V153-L155 HydrophobicContact CG1-CD2 3.98Å; V153-L155 HydrophobicContact CG1-CG 3.98Å; V153-L155 PolarHBondContact O-N 3.24Å
156G43.7Very low52.5Low41 Ų41114.9 Ų114.942%0.42367%0.669SS.*SBendtrans-143.1164.8175.600000110Q154 V158Q154-G156 PolarHBondContact O-N 2.98Å; G156-V158 PolarHBondContact O-N 2.89Å; G156-V158 VanDerWaalsContact O-N 3.14Å
157P36.1Very low50.3Low129 Ų129120.2 Ų120.284%0.83868%0.675SS**  trans-58.8119.3170.624.3-30.2000108.8E159P157-E159 PolarHBondContact O-N 3.45Å; P157-E159 VanDerWaalsContact O-N 3.1Å
158V42.2Very low47.9Very low118 Ų118121.6 Ų121.672%0.71569%0.686SS**  trans-64.8110.1174.1178.30000107G156 D160G156-V158 PolarHBondContact O-N 2.89Å; G156-V158 VanDerWaalsContact O-N 3.14Å; V158-D160 PolarHBondContact O-N 3.32Å
159E36.1Very low45.5Very low170 Ų170125 Ų12579%0.79470%0.699SS**  trans-66.1111.8164.9-70.4-174.7160.900107.2P157 S161P157-E159 PolarHBondContact O-N 3.45Å; P157-E159 VanDerWaalsContact O-N 3.1Å; E159-S161 VanDerWaalsContact C-N 3.31Å; E159-S161 PolarHBondContact O-N 3.5Å
160D31.5Very low43.2Very low148 Ų148126 Ų12679%0.79171%0.709SS**  trans-59.597.4167.5-82.4-32.5000108.1V158V158-D160 PolarHBondContact O-N 3.32Å
161S33.1Very low40.9Very low91 Ų91126.7 Ų126.764%0.63671%0.712SS**  trans-142.1107.6172.9-79.20000110E159E159-S161 VanDerWaalsContact C-N 3.31Å; E159-S161 PolarHBondContact O-N 3.5Å
162Q30.3Very low38.9Very low187 Ų187128.4 Ų128.487%0.87473%0.726SS**  trans7773.2151.8-53.3-176.1-1.900117.3
163I30.5Very low36.7Very low171 Ų171131.6 Ų131.688%0.87774%0.743SS**  trans-114.887.6139.9-57.1178.9000106.8
164G28.8Very low34.8Very low69 Ų69133.1 Ų133.171%0.71176%0.762SS**  trans-147.995.8177.300000109.4
165N30.1Very low33.3Very low165 Ų165130.7 Ų130.788%0.88276%0.763SS**  trans29.9107.9156.2-73.2-7.9000118.9
166S29Very low31.8Very low109 Ų109134.1 Ų134.176%0.76277%0.772SS**  trans-87.1144.2150.350.20000111.3
167H31.9Very low31Very low183 Ų183135.3 Ų135.385%0.84779%0.785SS**  trans90.6123.5178.3-69.3-74.7000116
168A30.3Very low30.7Very low85 Ų85132.5 Ų132.570%0.70278%0.78SS**  cis-161.8160.4-600000108.3
169Q29Very low30Very low181 Ų181134.4 Ų134.485%0.84679%0.791SS**  trans-39.2148.1169.2-63.1152.7-31.600111.7
170T31.1Very low29.8Very low110 Ų110129.4 Ų129.468%0.67579%0.785SS**  178.9133.868.6-440000108.6
171E30Very low29.9Very low180 Ų180128.7 Ų128.784%0.84179%0.786SS**  trans57.7130.5144.5-67.4172.3-18000124.6
172A31.4Very low29.8Very low86 Ų86132 Ų13271%0.71179%0.789SS**  trans80.9103.2131.300000120.9
173E27.7Very low29.8Very low189 Ų189128.8 Ų128.888%0.88378%0.777SS**  66.6134.3122.1-66.4-170.316500122.4
174A30.9Very low29.8Very low89 Ų89127.2 Ų127.274%0.73677%0.766SS**  trans82.498.914400000119.5
175S27.7Very low30.2Very low113 Ų113128.6 Ų128.679%0.7977%0.765SS**  73.4125.9117.9115.50000120.1
176F25.6Very low30.6Very low202 Ų202128.1 Ų128.189%0.88676%0.762SS**  84110.3129.9-159.2-93.7000119.2
177G28Very low30.7Very low66 Ų66132.7 Ų132.768%0.6877%0.767SS**  106.2132.7125.300000118.8
178G29.2Very low30.7Very low71 Ų71127.3 Ų127.373%0.73276%0.762SS**  trans82.6101.6152.300000115.4
179V27.7Very low31Very low158 Ų158132.2 Ų132.296%0.95877%0.77SS**  61.1120.673.7-172.30000114.5
180G31.6Very low31.2Very low64 Ų64128.1 Ų128.166%0.6677%0.767SS**  trans109.4139.9167.600000111.4
181V34Very low31.2Very low134 Ų134126.5 Ų126.581%0.81277%0.773SS**  cis-174131.624.31780000102.8
182F31.6Very low31.4Very low160 Ų160123.5 Ų123.570%0.70277%0.771SS**  166.612082.2-152.4-123000105.9
183L30.1Very low31.6Very low119 Ų119127.3 Ų127.362%0.62378%0.778SS**  57.8132.897.9-83.1165.3000113.7
184E31.3Very low31.8Very low139 Ų139128.2 Ų128.265%0.6578%0.779SS**  cis-176.1147.939-152.4142.7-161.700112.5
185S35.6Very low31.9Very low98 Ų98133.4 Ų133.469%0.68579%0.785SS**  trans70.6129.5145.5-77.90000120.6
186L38.9Very low32.3Very low155 Ų155133.2 Ų133.281%0.81278%0.784SS**  cis-156.712913.9-82.8134.3000106.2
187K30.7Very low32.7Very low204 Ų204131 Ų13189%0.88778%0.781SS**  83.9108.760.8-161.5175.3-171.9175.30114.5
188G33.5Very low33.1Very low71 Ų71139.2 Ų139.273%0.73279%0.791SS**  trans122.5130.3157.300000113.4
189Q34.6Very low33.4Very low188 Ų188144.3 Ų144.388%0.87980%0.796SS**  cis-172.6135.32.3-160.1172.5-41.400108.5
190A33.6Very low33.7Very low95 Ų95143 Ų14379%0.78579%0.788SS**  trans54.1121.1153.300000119.7
191G31.7Very low33.5Very low76 Ų76145.4 Ų145.478%0.78480%0.795SS**  cis80.4118.147.500000109
192S33.4Very low33.3Very low116 Ų116144.4 Ų144.481%0.81179%0.794SS**  169116.163.7160.30000110.2
193I37.2Very low33.6Very low166 Ų166146 Ų14685%0.85180%0.801SS**  trans-153.744.8151.3-27.7168.5000113.1
194F31.5Very low34Very low208 Ų208147.8 Ų147.891%0.91281%0.809SS**  trans-125.592.6166-78.5-76.9000110.3
195K32.8Very low34Very low199 Ų199147.6 Ų147.687%0.86582%0.817SS**  trans-167.758160.9-115.8176.9-174.4178.50113.1
196S34.8Very low33.8Very low108 Ų108152 Ų15276%0.75583%0.827SS**SBendtrans-158.684.9155.963.70000110.3
197L34.9Very low33.4Very low156 Ų156149.8 Ų149.882%0.81782%0.822SS**  trans17750.2142.8-93.3155.9000108.5E199L197-E199 PolarHBondContact O-N 2.9Å
198R35.4Very low33.2Very low238 Ų238147.5 Ų147.590%0.89882%0.82SS**  trans-83.533.1170.7-170-179.7167.3124.4-2.6110.2
199E36.8Very low33Very low178 Ų178149.7 Ų149.783%0.83282%0.824SS**  trans-134.626.9-168.1-118.1172.7-167.400114.3L197L197-E199 PolarHBondContact O-N 2.9Å
200T33.5Very low32.6Very low131 Ų131149 Ų14980%0.80482%0.823SS**  trans-139.263.4170.8-30.50000110.2
201S28.4Very low32.4Very low115 Ų115149 Ų14980%0.80482%0.823SS**  trans-131.9111.4170-173.90000108.7
202S29.8Very low32.4Very low113 Ų113151 Ų15179%0.7982%0.821SS**  trans173.5109.2142.344.90000111.1
203K37.9Very low32.5Very low194 Ų194153.1 Ų153.184%0.84382%0.824SS**  trans153.184.4153.8-85.7172.2-174.8-172.70107.8
204I36.8Very low32.7Very low155 Ų155155.2 Ų155.280%0.79583%0.826SS**  86.398.591-69.5161.5000112.5
205V31.9Very low33.7Very low136 Ų136148.7 Ų148.782%0.82481%0.807SS**  trans36.8115.2134.7-170.70000120.1
206Q32.3Very low35.6Very low191 Ų191141.1 Ų141.189%0.89378%0.779SS**  trans-160.6151.6142.4-104.417820.800111.2
207P30.2Very low37.9Very low108 Ų108136.2 Ų136.270%0.70174%0.744SS**  trans-96.6167.2-162.738.5-33000114.4
208N25.8Very low40.4Very low156 Ų156130.3 Ų130.383%0.83471%0.713SS**  trans59.3118.4157.2-65.82.6000120.4
209S28.8Very low43Very low117 Ų117122.7 Ų122.782%0.81869%0.685SS**  170.3126.7113.955.80000111
210M26.5Very low45.6Very low174 Ų174114.3 Ų114.386%0.85765%0.646SS**PPolyproline II helixtrans-60.4133.4165.7-74.3-178.3-170.800109.3
211A29.2Very low48.4Very low95 Ų95108.4 Ų108.479%0.78561%0.61SS**PPolyproline II helixtrans-65.4124.4176.900000110.7
212P33.1Very low51.5Low116 Ų116104.5 Ų104.575%0.75358%0.582SS**PPolyproline II helixtrans-73.9148.4175.831.1-31.9000110.2K214P212-K214 PolarHBondContact O-N 3.5Å
213N34.3Very low54.6Low161 Ų16199.6 Ų99.686%0.86155%0.547SS*.  trans-42.3121.6178.2-81.9-28.8000112.2S215N213-S215 PolarHBondContact O-N 3.33Å
214K43.1Very low57.3Low210 Ų21090.4 Ų90.491%0.91351%0.506SS*.  trans-54102.5-178.7-107.9172.2173.3173.40111P212P212-K214 PolarHBondContact O-N 3.5Å
215S52Low60Low72 Ų7283 Ų8350%0.50347%0.469SS..  trans-19.5119166.954.30000116.7N213 L217N213-S215 PolarHBondContact O-N 3.33Å; S215-L217 PolarHBondContact O-N 3.44Å
216S72.1Confident62.8Low40 Ų4076.5 Ų76.528%0.2843%0.429SS..SBendtrans-63.2-18.3164.857.10000113.3L227 S228S216-L227 WeakPolarHBondContact OG-CD1 3.28Å; S216-S228 PolarHBondContact O-N 3.04Å
217L82.9Confident65.3Low5 Ų567.5 Ų67.53%0.02639%0.387CS..EExtended strand (participates in β ladder)trans-88.1109.8177.3-61.6171.5000111.3S215 Y219 I225 L227 A239 L242 L243S215-L217 PolarHBondContact O-N 3.44Å; L217-Y219 HydrophobicContact CB-CE2 4.36Å; L217-I225 HydrophobicContact CB-CG2 4.07Å; L217-I225 HydrophobicContact CD2-CG2 3.82Å; L217-L227 HydrophobicContact CD2-CB 4.24Å; L217-L227 HydrophobicContact CD2-CD1 3.86Å; L217-L227 HydrophobicContact CG-CD1 4.47Å; L217-A239 HydrophobicContact CD2-CB 4.37Å; L217-L242 HydrophobicContact CD1-CB 3.9Å; L217-L242 HydrophobicContact CD1-CD1 4.37Å; L217-L243 HydrophobicContact CD1-CD2 4.14Å; L217-L243 HydrophobicContact CD1-CG 4.11Å; L217-L243 HydrophobicContact CD2-CD1 4.24Å; L217-L243 HydrophobicContact CD2-CD2 4.11Å; L217-L243 HydrophobicContact CD2-CG 4.13Å
218I87.4Confident67.2Low32 Ų3263.6 Ų63.616%0.16436%0.362CS..EExtended strand (participates in β ladder)trans-100.4110.8175.9-57.9170.5000108.4L220 L226I218-L220 HydrophobicContact CG2-CD2 4.26Å; I218-L220 PolarHBondContact O-N 2.54Å; I218-L226 HydrophobicContact CB-CB 4.24Å; I218-L226 HydrophobicContact CD1-CD2 4.39Å; I218-L226 PolarHBondContact N-O 3.12Å; I218-L226 PolarHBondContact O-N 3.23Å
219Y90.8Very high69Low77 Ų7758.3 Ų58.330%0.30234%0.338SS..EExtended strand (participates in β ladder)trans-77.9107.1173.9-73.8-108.5000109.2L217 I225 R246 H247L217-Y219 HydrophobicContact CB-CE2 4.36Å; Y219-I225 HydrophobicContact CD1-CD1 4.12Å; Y219-I225 HydrophobicContact CD1-CG1 3.78Å; Y219-I225 HydrophobicContact CE1-CD1 3.52Å; Y219-I225 HydrophobicContact CE1-CG1 3.73Å; Y219-I225 HydrophobicContact CE2-CD1 4.39Å; Y219-I225 HydrophobicContact CG-CG1 4.27Å; Y219-R246 WeakPolarHBondContact OH-CD 3.21Å; Y219-R246 PolarHBondContact OH-NH1 3.33Å; Y219-H247 AromaticContact CE1-NE2 3.93Å; Y219-H247 AromaticContact CZ-NE2 3.86Å; Y219-H247 PolarHBondContact OH-NE2 2.94Å
220L90.4Very high70.5Confident3 Ų353.6 Ų53.62%0.01630%0.304CS..SBendtrans-73.3-44.9175.2-67178.1000109.6I218 L224 L226 A319 F338 K342 V343I218-L220 HydrophobicContact CG2-CD2 4.26Å; I218-L220 PolarHBondContact O-N 2.54Å; L220-L224 HydrophobicContact CB-CB 4.38Å; L220-L224 PolarHBondContact N-O 3.43Å; L220-L226 HydrophobicContact CD1-CB 4.17Å; L220-L226 HydrophobicContact CG-CB 4.28Å; L220-A319 HydrophobicContact CD1-CB 3.35Å; L220-F338 HydrophobicContact CB-CE1 4.23Å; L220-F338 HydrophobicContact CB-CZ 3.97Å; L220-F338 HydrophobicContact CD2-CE1 4.32Å; L220-F338 HydrophobicContact CD2-CZ 4.45Å; L220-F338 VanDerWaalsContact O-CZ 3.27Å; L220-F338 WeakPolarHBondContact O-CZ 3.49Å; L220-K342 PolarHBondContact O-NZ 3.44Å; L220-V343 HydrophobicContact CD2-CG2 4Å
221T93.1Very high72Confident7 Ų750.2 Ų50.24%0.04329%0.294CS..SBendtrans-131.7177.2166.4690000108.1R223 L224 L323 P536 F537 F546T221-R223 PolarHBondContact O-N 2.97Å; T221-R223 PolarHBondContact OG1-N 2.86Å; T221-L224 HydrophobicContact CG2-CD1 4.29Å; T221-L224 PolarHBondContact N-O 2.88Å; T221-L224 WeakPolarHBondContact OG1-CB 3.43Å; T221-L224 WeakPolarHBondContact OG1-CG 3.24Å; T221-L224 PolarHBondContact OG1-N 3.27Å; T221-L323 HydrophobicContact CG2-CD2 4.18Å; T221-P536 VanDerWaalsContact CB-O 3.26Å; T221-P536 WeakPolarHBondContact CB-O 3.39Å; T221-P536 HydrophobicContact CG2-CB 4.4Å; T221-P536 PolarHBondContact OG1-O 3.07Å; T221-F537 HydrophobicContact CG2-CD1 4.01Å; T221-F537 HydrophobicContact CG2-CE1 3.55Å; T221-F537 HydrophobicContact CG2-CZ 4.24Å; T221-F546 HydrophobicContact CG2-CE2 4.34Å
222S92.9Very high73.6Confident32 Ų3250.5 Ų50.522%0.22428%0.282CS..SBendtrans-60.8-23.4174.560.60000114.1S538 E542S222-S538 VanDerWaalsContact CB-OG 3.22Å; S222-S538 WeakPolarHBondContact CB-OG 3.36Å; S222-S538 VanDerWaalsContact OG-CB 3.3Å; S222-S538 WeakPolarHBondContact OG-CB 3.33Å; S222-S538 PolarHBondContact OG-N 2.94Å; S222-S538 PolarHBondContact OG-OG 2.82Å; S222-E542 WeakPolarHBondContact CB-OE1 3.36Å; S222-E542 WeakPolarHBondContact CB-OE2 3.4Å; S222-E542 PolarHBondContact N-OE1 3.42Å; S222-E542 VanDerWaalsContact OG-CD 3.25Å; S222-E542 PolarHBondContact OG-OE1 3.42Å; S222-E542 PolarHBondContact OG-OE2 3.31Å
223R95.5Very high75.1Confident11 Ų1149.3 Ų49.34%0.04227%0.267CS..SBendtrans-113.8-6.5-177.9-51.4-174.964.2-171.96.4115.1T221 L297 D300 V301 N303 V304 A305 M535 P536 F537 S538T221-R223 PolarHBondContact O-N 2.97Å; T221-R223 PolarHBondContact OG1-N 2.86Å; R223-L297 HydrophobicContact CB-CD2 4.31Å; R223-L297 PolarHBondContact NH1-O 3.28Å; R223-L297 VanDerWaalsContact NH2-CA 3.35Å; R223-L297 PolarHBondContact NH2-O 3.1Å; R223-D300 PolarHBondContact NH2-O 3.27Å; R223-V301 PolarHBondContact NE-O 3.32Å; R223-V301 PolarHBondContact NH2-O 2.93Å; R223-N303 PolarHBondContact NE-O 3.11Å; R223-N303 PolarHBondContact NH2-O 3.13Å; R223-V304 WeakPolarHBondContact O-CA 3.43Å; R223-A305 PolarHBondContact O-N 3.01Å; R223-M535 PolarHBondContact NH1-O 3.2Å; R223-M535 VanDerWaalsContact NH1-O 3.15Å; R223-P536 WeakPolarHBondContact CB-O 3.39Å; R223-F537 WeakPolarHBondContact CD-O 3.45Å; R223-S538 WeakPolarHBondContact CG-OG 3.43Å
224L94.8Very high76.6Confident0 Ų045 Ų450%025%0.25CC..EExtended strand (participates in β ladder)trans-116.3117.4176.8-57.3-178.1000110.3L220 T221 V293 L297 A305 F307 F322 L323 P536L220-L224 HydrophobicContact CB-CB 4.38Å; L220-L224 PolarHBondContact N-O 3.43Å; T221-L224 HydrophobicContact CG2-CD1 4.29Å; T221-L224 PolarHBondContact N-O 2.88Å; T221-L224 WeakPolarHBondContact OG1-CB 3.43Å; T221-L224 WeakPolarHBondContact OG1-CG 3.24Å; T221-L224 PolarHBondContact OG1-N 3.27Å; L224-V293 HydrophobicContact CD2-CG1 4.43Å; L224-L297 HydrophobicContact CD2-CD1 4.1Å; L224-A305 HydrophobicContact CD2-CB 4.14Å; L224-F307 HydrophobicContact CB-CE2 4.48Å; L224-F307 HydrophobicContact CD2-CE2 4.08Å; L224-F307 HydrophobicContact CD2-CZ 4.4Å; L224-F322 HydrophobicContact CD1-CD1 3.86Å; L224-F322 HydrophobicContact CD1-CE1 4.43Å; L224-F322 HydrophobicContact CD2-CD1 3.83Å; L224-F322 HydrophobicContact CD2-CE1 3.91Å; L224-F322 HydrophobicContact CG-CD1 4.46Å; L224-L323 HydrophobicContact CD1-CD2 4.03Å; L224-L323 HydrophobicContact CD1-CG 4.15Å; L224-P536 HydrophobicContact CD1-CB 4.01Å; L224-P536 HydrophobicContact CG-CB 4.29Å
225I92.8Very high77.9Confident0 Ų036.2 Ų36.20%022%0.215CC..EExtended strand (participates in β ladder)trans-117.9131.4-176-53.3174000108.6L217 Y219 L243 H247 V304 A305 V306 F307L217-I225 HydrophobicContact CB-CG2 4.07Å; L217-I225 HydrophobicContact CD2-CG2 3.82Å; Y219-I225 HydrophobicContact CD1-CD1 4.12Å; Y219-I225 HydrophobicContact CD1-CG1 3.78Å; Y219-I225 HydrophobicContact CE1-CD1 3.52Å; Y219-I225 HydrophobicContact CE1-CG1 3.73Å; Y219-I225 HydrophobicContact CE2-CD1 4.39Å; Y219-I225 HydrophobicContact CG-CG1 4.27Å; I225-L243 HydrophobicContact CD1-CD2 3.97Å; I225-H247 WeakPolarHBondContact CD1-NE2 3.27Å; I225-V304 HydrophobicContact CD1-CB 4.19Å; I225-V304 HydrophobicContact CD1-CG2 3.93Å; I225-A305 PolarHBondContact N-O 2.92Å; I225-V306 HydrophobicContact CB-CG2 4.25Å; I225-V306 HydrophobicContact CD1-CG2 4.33Å; I225-V306 CarbonylContact O-C 3.57Å; I225-V306 WeakPolarHBondContact O-CA 3.04Å; I225-F307 PolarHBondContact O-N 3.25Å
226L90.2Very high79.1Confident0 Ų032.9 Ų32.90%019%0.191CC..EExtended strand (participates in β ladder)trans-104.2123.2171.6177.369.6000108.6I218 L220 F307 V343I218-L226 HydrophobicContact CB-CB 4.24Å; I218-L226 HydrophobicContact CD1-CD2 4.39Å; I218-L226 PolarHBondContact N-O 3.12Å; I218-L226 PolarHBondContact O-N 3.23Å; L220-L226 HydrophobicContact CD1-CB 4.17Å; L220-L226 HydrophobicContact CG-CB 4.28Å; L226-F307 WeakPolarHBondContact CA-O 3.04Å; L226-F307 HydrophobicContact CD1-CB 4.37Å; L226-V343 HydrophobicContact CD2-CG1 4.08Å; L226-V343 HydrophobicContact CD2-CG2 3.76Å
227L85.3Confident79.4Confident1 Ų133.8 Ų33.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-98104.6167.4177.867.3000107.6S216 L217 L236 A239 V306 F307 F308S216-L227 WeakPolarHBondContact OG-CD1 3.28Å; L217-L227 HydrophobicContact CD2-CB 4.24Å; L217-L227 HydrophobicContact CD2-CD1 3.86Å; L217-L227 HydrophobicContact CG-CD1 4.47Å; L227-L236 HydrophobicContact CD2-CD1 3.45Å; L227-L236 VanDerWaalsContact CD2-CD1 3.45Å; L227-A239 HydrophobicContact CD1-CB 3.59Å; L227-A239 HydrophobicContact CD2-CB 3.85Å; L227-A239 HydrophobicContact CG-CB 4.4Å; L227-V306 HydrophobicContact CB-CG1 4.41Å; L227-F307 PolarHBondContact N-O 3.31Å; L227-F308 HydrophobicContact CB-CB 3.8Å; L227-F308 HydrophobicContact CD2-CB 3.94Å; L227-F308 HydrophobicContact CG-CB 4.19Å
228S70Confident79.3Confident26 Ų2639 Ų3918%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-84.4121.3-176.6-179.80000110.5S216S216-S228 PolarHBondContact O-N 3.04Å
229S63.2Low79Confident45 Ų4537.5 Ų37.532%0.31521%0.21SC..  trans50.777.2167.2-172.30000113.8T231 S309S229-T231 PolarHBondContact O-N 3.43Å; S229-T231 VanDerWaalsContact OG-CG2 3.28Å; S229-T231 WeakPolarHBondContact OG-CG2 3.35Å; S229-S309 PolarHBondContact N-O 3.43Å
230P60.8Low78.7Confident19 Ų1934 Ų3412%0.12320%0.197CC..  trans-67.884.1163.930.4-31000107.7D232 S235 L236P230-D232 PolarHBondContact O-N 2.87Å; P230-S235 WeakPolarHBondContact CA-OG 3.35Å; P230-L236 HydrophobicContact CB-CB 4.18Å; P230-L236 HydrophobicContact CB-CD1 4.38Å
231T58.3Low78.4Confident103 Ų10340 Ų4063%0.63222%0.223SC*.  trans-62.2-28.2-178.344.90000111.3S229S229-T231 PolarHBondContact O-N 3.43Å; S229-T231 VanDerWaalsContact OG-CG2 3.28Å; S229-T231 WeakPolarHBondContact OG-CG2 3.35Å
232D62.3Low78.1Confident100 Ų10042.2 Ų42.254%0.53523%0.234SC..SBendtrans-136.5149.9179.7-58.7-58.7000110.8P230 S234 S235P230-D232 PolarHBondContact O-N 2.87Å; D232-S234 WeakPolarHBondContact CB-OG 3.26Å; D232-S234 PolarHBondContact O-N 2.87Å; D232-S234 VanDerWaalsContact O-N 3.11Å; D232-S235 WeakPolarHBondContact O-CB 3.27Å; D232-S235 PolarHBondContact O-N 3.37Å; D232-S235 PolarHBondContact O-OG 3.28Å
233M64.8Low77.9Confident91 Ų9140.7 Ų40.745%0.44822%0.223SC..Hα-helixtrans-56.6-27.9177.2-71.8-68-70.300113.1L236 D237M233-L236 PolarHBondContact O-N 3.37Å; M233-D237 PolarHBondContact O-N 2.83Å
234S67Low77.5Confident71 Ų7143 Ų4350%0.49724%0.239SC..Hα-helixtrans-62.2-41.3174.952.70000112.6D232 L236 D237 E238D232-S234 WeakPolarHBondContact CB-OG 3.26Å; D232-S234 PolarHBondContact O-N 2.87Å; D232-S234 VanDerWaalsContact O-N 3.11Å; S234-L236 PolarHBondContact O-N 3.23Å; S234-D237 PolarHBondContact O-N 3.2Å; S234-E238 PolarHBondContact O-N 2.82Å
235S69.8Low77.2Confident26 Ų2647.1 Ų47.118%0.18227%0.273CS..Hα-helixtrans-65.4-32177.970.90000112.2P230 D232 A239P230-S235 WeakPolarHBondContact CA-OG 3.35Å; D232-S235 WeakPolarHBondContact O-CB 3.27Å; D232-S235 PolarHBondContact O-N 3.37Å; D232-S235 PolarHBondContact O-OG 3.28Å; S235-A239 WeakPolarHBondContact O-CB 3.23Å; S235-A239 PolarHBondContact O-N 3.42Å
236L76.4Confident77.1Confident1 Ų153.6 Ų53.61%0.00530%0.297CS..Hα-helixtrans-75.5-37176.4-171.868.6000111.7L227 P230 M233 S234 A239 A240 L264 P265 L266L227-L236 HydrophobicContact CD2-CD1 3.45Å; L227-L236 VanDerWaalsContact CD2-CD1 3.45Å; P230-L236 HydrophobicContact CB-CB 4.18Å; P230-L236 HydrophobicContact CB-CD1 4.38Å; M233-L236 PolarHBondContact O-N 3.37Å; S234-L236 PolarHBondContact O-N 3.23Å; L236-A239 PolarHBondContact O-N 2.88Å; L236-A240 VanDerWaalsContact O-CB 3.29Å; L236-A240 WeakPolarHBondContact O-CB 3.27Å; L236-A240 PolarHBondContact O-N 3.26Å; L236-L264 HydrophobicContact CD2-CD2 3.17Å; L236-L264 HydrophobicContact CD2-CG 4.47Å; L236-P265 HydrophobicContact CB-CG 4.31Å; L236-P265 HydrophobicContact CD2-CG 3.98Å; L236-P265 HydrophobicContact CG-CG 3.9Å; L236-L266 HydrophobicContact CD1-CD1 3.78Å; L236-L266 HydrophobicContact CG-CD1 4.38Å
237D78.6Confident77.1Confident60 Ų6054.7 Ų54.732%0.32130%0.303SS..Hα-helixtrans-64.4-43.6173.2-177.353.7000111.4M233 S234 A239 A240 K241 P265M233-D237 PolarHBondContact O-N 2.83Å; S234-D237 PolarHBondContact O-N 3.2Å; D237-A239 PolarHBondContact O-N 2.8Å; D237-A240 PolarHBondContact O-N 3.27Å; D237-K241 WeakPolarHBondContact O-CB 3.43Å; D237-K241 WeakPolarHBondContact O-CG 3.48Å; D237-K241 PolarHBondContact O-N 2.87Å; D237-K241 WeakPolarHBondContact OD2-CE 3.43Å; D237-K241 IonicContact OD2-NZ 2.67Å; D237-K241 PolarHBondContact OD2-NZ 3.37Å; D237-P265 HydrophobicContact CB-CB 4.36Å; D237-P265 HydrophobicContact CB-CG 4.23Å
238E81.7Confident77.2Confident115 Ų11555.9 Ų55.954%0.53732%0.315SS..Hα-helixtrans-61.5-44.3173.1-169.6179.3-174.800111.5S234 A240 K241 L242S234-E238 PolarHBondContact O-N 2.82Å; E238-A240 VanDerWaalsContact C-N 3.34Å; E238-A240 PolarHBondContact O-N 3.42Å; E238-K241 PolarHBondContact O-N 3.24Å; E238-L242 HydrophobicContact CG-CD1 4.36Å; E238-L242 WeakPolarHBondContact O-CB 3.28Å; E238-L242 VanDerWaalsContact O-CG 3.31Å; E238-L242 WeakPolarHBondContact O-CG 3.39Å; E238-L242 PolarHBondContact O-N 3.3Å
239A81.2Confident77.9Confident0 Ų060.5 Ų60.50%034%0.338CS..Hα-helixtrans-61.4-41.1174.100000112.1L217 L227 S235 L236 D237 L242 L243L217-A239 HydrophobicContact CD2-CB 4.37Å; L227-A239 HydrophobicContact CD1-CB 3.59Å; L227-A239 HydrophobicContact CD2-CB 3.85Å; L227-A239 HydrophobicContact CG-CB 4.4Å; S235-A239 WeakPolarHBondContact O-CB 3.23Å; S235-A239 PolarHBondContact O-N 3.42Å; L236-A239 PolarHBondContact O-N 2.88Å; D237-A239 PolarHBondContact O-N 2.8Å; A239-L242 PolarHBondContact O-N 3.03Å; A239-L243 WeakPolarHBondContact O-CB 3.38Å; A239-L243 WeakPolarHBondContact O-CG 3.35Å; A239-L243 PolarHBondContact O-N 3.33Å
240A83.1Confident79.2Confident4 Ų463.3 Ų63.33%0.03334%0.341CS..Hα-helixtrans-64.3-42.3177.200000111.8L236 D237 E238 L243 T244 P265 L266L236-A240 VanDerWaalsContact O-CB 3.29Å; L236-A240 WeakPolarHBondContact O-CB 3.27Å; L236-A240 PolarHBondContact O-N 3.26Å; D237-A240 PolarHBondContact O-N 3.27Å; E238-A240 VanDerWaalsContact C-N 3.34Å; E238-A240 PolarHBondContact O-N 3.42Å; A240-L243 PolarHBondContact O-N 3.01Å; A240-T244 VanDerWaalsContact O-CB 3.3Å; A240-T244 WeakPolarHBondContact O-CB 3.45Å; A240-T244 PolarHBondContact O-N 3.45Å; A240-T244 PolarHBondContact O-OG1 3.22Å; A240-P265 HydrophobicContact CB-CB 4.17Å; A240-P265 HydrophobicContact CB-CG 4.43Å; A240-L266 HydrophobicContact CB-CD2 3.58Å; A240-L266 HydrophobicContact CB-CG 4.08Å
241K85Confident80.7Confident127 Ų12762.4 Ų62.455%0.55234%0.335SS*.Hα-helixtrans-60.9-47.5173.1-74.3166.4176.5163.30111.2D237 E238 T244 A245D237-K241 WeakPolarHBondContact O-CB 3.43Å; D237-K241 WeakPolarHBondContact O-CG 3.48Å; D237-K241 PolarHBondContact O-N 2.87Å; D237-K241 WeakPolarHBondContact OD2-CE 3.43Å; D237-K241 IonicContact OD2-NZ 2.67Å; D237-K241 PolarHBondContact OD2-NZ 3.37Å; E238-K241 PolarHBondContact O-N 3.24Å; K241-T244 PolarHBondContact O-N 3.31Å; K241-A245 VanDerWaalsContact O-CB 3.25Å; K241-A245 WeakPolarHBondContact O-CB 3.45Å; K241-A245 PolarHBondContact O-N 2.78Å
242L86.8Confident82.3Confident54 Ų5458.1 Ų58.128%0.28331%0.311SS..Hα-helixtrans-63.6-42.4177.9-73.2173.2000112.6L217 E238 A239 A245 R246L217-L242 HydrophobicContact CD1-CB 3.9Å; L217-L242 HydrophobicContact CD1-CD1 4.37Å; E238-L242 HydrophobicContact CG-CD1 4.36Å; E238-L242 WeakPolarHBondContact O-CB 3.28Å; E238-L242 VanDerWaalsContact O-CG 3.31Å; E238-L242 WeakPolarHBondContact O-CG 3.39Å; E238-L242 PolarHBondContact O-N 3.3Å; A239-L242 PolarHBondContact O-N 3.03Å; L242-A245 PolarHBondContact O-N 3.18Å; L242-R246 WeakPolarHBondContact O-CB 3.18Å; L242-R246 VanDerWaalsContact O-CG 3.31Å; L242-R246 WeakPolarHBondContact O-CG 3.38Å; L242-R246 PolarHBondContact O-N 2.96Å
243L88.1Confident83.7Confident0 Ų053.4 Ų53.40%029%0.285CS..Hα-helixtrans-65-43.2176.7-74.3167.5000111.4L217 I225 A239 A240 R246 H247 F251 L266 V306L217-L243 HydrophobicContact CD1-CD2 4.14Å; L217-L243 HydrophobicContact CD1-CG 4.11Å; L217-L243 HydrophobicContact CD2-CD1 4.24Å; L217-L243 HydrophobicContact CD2-CD2 4.11Å; L217-L243 HydrophobicContact CD2-CG 4.13Å; I225-L243 HydrophobicContact CD1-CD2 3.97Å; A239-L243 WeakPolarHBondContact O-CB 3.38Å; A239-L243 WeakPolarHBondContact O-CG 3.35Å; A239-L243 PolarHBondContact O-N 3.33Å; A240-L243 PolarHBondContact O-N 3.01Å; L243-R246 PolarHBondContact O-N 2.79Å; L243-H247 WeakPolarHBondContact O-CA 3.36Å; L243-H247 WeakPolarHBondContact O-CB 3.32Å; L243-H247 PolarHBondContact O-N 3.47Å; L243-F251 HydrophobicContact CB-CD1 4.14Å; L243-F251 HydrophobicContact CB-CE1 4.08Å; L243-F251 HydrophobicContact CB-CG 4.4Å; L243-F251 HydrophobicContact CB-CZ 4.29Å; L243-F251 HydrophobicContact CD1-CD2 4.48Å; L243-F251 HydrophobicContact CD1-CE2 4.49Å; L243-L266 HydrophobicContact CD1-CD2 3.86Å; L243-V306 HydrophobicContact CD1-CG1 4.01Å; L243-V306 HydrophobicContact CD1-CG2 3.99Å; L243-V306 HydrophobicContact CD2-CG2 3.71Å
244T88.4Confident85Confident60 Ų6049.3 Ų49.337%0.36827%0.265SS..Hα-helixtrans-66.6-40.4177-55.30000111.1A240 K241 G248A240-T244 VanDerWaalsContact O-CB 3.3Å; A240-T244 WeakPolarHBondContact O-CB 3.45Å; A240-T244 PolarHBondContact O-N 3.45Å; A240-T244 PolarHBondContact O-OG1 3.22Å; K241-T244 PolarHBondContact O-N 3.31Å; T244-G248 WeakPolarHBondContact O-CA 3.38Å; T244-G248 PolarHBondContact O-N 3.47Å
245A88.2Confident86.1Confident87 Ų8745.9 Ų45.972%0.71924%0.241SC*.Hα-helixtrans-65.4-40.4176.600000112.5K241 L242K241-A245 VanDerWaalsContact O-CB 3.25Å; K241-A245 WeakPolarHBondContact O-CB 3.45Å; K241-A245 PolarHBondContact O-N 2.78Å; L242-A245 PolarHBondContact O-N 3.18Å
246R89.7Confident87Confident135 Ų13544.7 Ų44.751%0.50923%0.233SC..Hα-helixtrans-83.3-39-177.2-70.2-178.8-179.3-172.41.3113.8Y219 L242 L243Y219-R246 WeakPolarHBondContact OH-CD 3.21Å; Y219-R246 PolarHBondContact OH-NH1 3.33Å; L242-R246 WeakPolarHBondContact O-CB 3.18Å; L242-R246 VanDerWaalsContact O-CG 3.31Å; L242-R246 WeakPolarHBondContact O-CG 3.38Å; L242-R246 PolarHBondContact O-N 2.96Å; L243-R246 PolarHBondContact O-N 2.79Å
247H89.9Confident87.5Confident24 Ų2444.8 Ų44.811%0.11123%0.233CC..Hα-helixtrans-119.4-4-169.7-57-69.2000113.6Y219 I225 L243 N249 R250 F251 V304Y219-H247 AromaticContact CE1-NE2 3.93Å; Y219-H247 AromaticContact CZ-NE2 3.86Å; Y219-H247 PolarHBondContact OH-NE2 2.94Å; I225-H247 WeakPolarHBondContact CD1-NE2 3.27Å; L243-H247 WeakPolarHBondContact O-CA 3.36Å; L243-H247 WeakPolarHBondContact O-CB 3.32Å; L243-H247 PolarHBondContact O-N 3.47Å; H247-N249 PolarHBondContact O-N 3.08Å; H247-R250 WeakPolarHBondContact O-CB 3Å; H247-R250 PolarHBondContact O-N 3.06Å; H247-F251 HydrophobicContact CB-CD1 4.5Å; H247-V304 HydrophobicContact CB-CG2 4.24Å
248G87.4Confident87.5Confident26 Ų2644.7 Ų44.727%0.26824%0.236SC..THydrogen-bonded Turntrans57.6-122-176.400000111.1T244 F251T244-G248 WeakPolarHBondContact O-CA 3.38Å; T244-G248 PolarHBondContact O-N 3.47Å; G248-F251 WeakPolarHBondContact O-CD1 3.46Å; G248-F251 WeakPolarHBondContact O-CE1 3.5Å
249N85.6Confident87.3Confident122 Ų12243.1 Ų43.165%0.65223%0.225SC*.THydrogen-bonded Turntrans-94.211.3177.9-69.7-15.1000115H247 F251 R269H247-N249 PolarHBondContact O-N 3.08Å; N249-F251 PolarHBondContact O-N 3.2Å; N249-R269 VanDerWaalsContact CA-NH1 3.35Å; N249-R269 PolarHBondContact OD1-NH1 2.91Å
250R90.3Very high86.8Confident104 Ų10452.1 Ų52.139%0.39226%0.259SS..  trans-100.832.4-170.7-53.6-171.4-60.7-92.3-6.4113.1H247 S302 N303 V304H247-R250 WeakPolarHBondContact O-CB 3Å; H247-R250 PolarHBondContact O-N 3.06Å; R250-S302 WeakPolarHBondContact CD-OG 3.36Å; R250-S302 PolarHBondContact NE-OG 3.43Å; R250-N303 WeakPolarHBondContact CB-OD1 3.22Å; R250-N303 CarbonylContact O-C 3.51Å; R250-N303 VanDerWaalsContact O-CA 3.25Å; R250-N303 WeakPolarHBondContact O-CA 3.48Å; R250-V304 PolarHBondContact O-N 2.89Å
251F92.3Very high85.9Confident0 Ų054.7 Ų54.70%027%0.273CS..EExtended strand (participates in β ladder)trans-124.2146.1171.372.6-91.2000111.1L243 H247 G248 N249 L266 W296 V304 V306L243-F251 HydrophobicContact CB-CD1 4.14Å; L243-F251 HydrophobicContact CB-CE1 4.08Å; L243-F251 HydrophobicContact CB-CG 4.4Å; L243-F251 HydrophobicContact CB-CZ 4.29Å; L243-F251 HydrophobicContact CD1-CD2 4.48Å; L243-F251 HydrophobicContact CD1-CE2 4.49Å; H247-F251 HydrophobicContact CB-CD1 4.5Å; G248-F251 WeakPolarHBondContact O-CD1 3.46Å; G248-F251 WeakPolarHBondContact O-CE1 3.5Å; N249-F251 PolarHBondContact O-N 3.2Å; F251-L266 HydrophobicContact CE2-CD2 3.77Å; F251-L266 HydrophobicContact CZ-CD2 4.15Å; F251-W296 VanDerWaalsContact C-CZ2 3.46Å; F251-V304 VanDerWaalsContact CA-O 3.31Å; F251-V304 WeakPolarHBondContact CA-O 3.44Å; F251-V304 HydrophobicContact CB-CG2 3.53Å; F251-V306 HydrophobicContact CB-CG2 4.2Å; F251-V306 HydrophobicContact CD2-CG2 4.38Å
252A92.3Very high84.6Confident13 Ų1353.1 Ų53.111%0.10728%0.284CS..EExtended strand (participates in β ladder)trans-119.1134166.700000108.8Y254 W296 V304 V306A252-Y254 HydrophobicContact CB-CE2 3.87Å; A252-W296 HydrophobicContact CB-CD2 3.65Å; A252-W296 VanDerWaalsContact CB-CE2 3.46Å; A252-W296 HydrophobicContact CB-CE3 4.35Å; A252-W296 HydrophobicContact CB-CG 3.76Å; A252-W296 HydrophobicContact CB-CZ2 4.04Å; A252-V304 PolarHBondContact N-O 3.13Å; A252-V304 VanDerWaalsContact N-O 3.08Å; A252-V306 PolarHBondContact O-N 3.33Å
253A90.9Very high83.5Confident1 Ų156.9 Ų56.91%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-105.6136.7-176.500000110.5L266 R269 V270 M271 V306 F308A253-L266 HydrophobicContact CB-CD1 3.95Å; A253-R269 PolarHBondContact N-O 2.8Å; A253-V270 HydrophobicContact CB-CG2 4.13Å; A253-V270 CarbonylContact O-C 3.57Å; A253-V270 VanDerWaalsContact O-CA 3.31Å; A253-V270 WeakPolarHBondContact O-CA 3.25Å; A253-M271 PolarHBondContact O-N 3.26Å; A253-V306 CarbonylContact C-O 3.59Å; A253-V306 WeakPolarHBondContact CA-O 3.46Å; A253-V306 HydrophobicContact CB-CB 4.48Å; A253-F308 HydrophobicContact CB-CD1 4.4Å; A253-F308 HydrophobicContact CB-CE1 4.01Å
254Y92.4Very high82.5Confident5 Ų557.4 Ų57.42%0.0231%0.307CS..EExtended strand (participates in β ladder)trans-119.2103.3-176.5-64.8-106000107.4A252 L256 M271 I289 S292 V293 A305 V306 F307 F308A252-Y254 HydrophobicContact CB-CE2 3.87Å; Y254-L256 PolarHBondContact O-N 3.21Å; Y254-M271 HydrophobicContact CD1-CE 3.26Å; Y254-M271 HydrophobicContact CE1-CE 3.07Å; Y254-M271 HydrophobicContact CG-CE 4.48Å; Y254-I289 HydrophobicContact CD1-CG2 3.93Å; Y254-I289 HydrophobicContact CE1-CG2 4.27Å; Y254-S292 PolarHBondContact OH-OG 3.49Å; Y254-V293 HydrophobicContact CD1-CG2 4.08Å; Y254-V293 HydrophobicContact CD2-CG2 4.43Å; Y254-V293 HydrophobicContact CE1-CG2 3.41Å; Y254-V293 VanDerWaalsContact CE1-CG2 3.41Å; Y254-V293 HydrophobicContact CE2-CG2 3.9Å; Y254-V293 VanDerWaalsContact OH-CA 3.29Å; Y254-V293 WeakPolarHBondContact OH-CA 3.13Å; Y254-V293 PolarHBondContact OH-N 2.6Å; Y254-A305 HydrophobicContact CE2-CB 4.05Å; Y254-V306 PolarHBondContact N-O 3.04Å; Y254-F307 HydrophobicContact CD2-CD1 4.37Å; Y254-F307 HydrophobicContact CD2-CE1 4.23Å; Y254-F307 HydrophobicContact CG-CD1 4.16Å; Y254-F307 HydrophobicContact CG-CE1 4.15Å; Y254-F308 WeakPolarHBondContact O-CD1 3.22Å; Y254-F308 PolarHBondContact O-N 2.94Å; Y254-F308 VanDerWaalsContact O-N 3.07Å
255N89.8Confident81.5Confident0 Ų056.9 Ų56.90%030%0.304CS..EExtended strand (participates in β ladder)trans-79109.3177-175.1-3.9000109S257 W259 V270 M271 H272 C273 G274 F308N255-S257 WeakPolarHBondContact OD1-CB 3.38Å; N255-S257 PolarHBondContact OD1-N 2.79Å; N255-W259 PolarHBondContact ND2-O 3.34Å; N255-W259 VanDerWaalsContact ND2-O 3.16Å; N255-V270 HydrophobicContact CB-CG1 3.79Å; N255-M271 PolarHBondContact N-O 3.39Å; N255-H272 PolarHBondContact ND2-ND1 3.29Å; N255-C273 CarbonylContact O-C 3.6Å; N255-C273 WeakPolarHBondContact O-CA 3.42Å; N255-C273 PolarHBondContact O-N 2.83Å; N255-G274 PolarHBondContact O-N 3.28Å; N255-F308 HydrophobicContact CB-CD2 4.46Å; N255-F308 HydrophobicContact CB-CE1 3.73Å; N255-F308 HydrophobicContact CB-CE2 3.64Å; N255-F308 HydrophobicContact CB-CZ 3.24Å; N255-F308 WeakPolarHBondContact OD1-CE2 3.44Å
256L90.2Very high80.6Confident0 Ų052.8 Ų52.80%027%0.27CS..  trans-96.8-0.4-179.8-51.1179.1000112.5Y254 C273 G274 F275 I289 F307 F308 I318Y254-L256 PolarHBondContact O-N 3.21Å; L256-C273 HydrophobicContact CD2-CB 4.01Å; L256-G274 WeakPolarHBondContact O-CA 3.33Å; L256-F275 HydrophobicContact CB-CE1 3.93Å; L256-F275 HydrophobicContact CB-CZ 4.48Å; L256-F275 HydrophobicContact CD1-CE1 4.46Å; L256-F275 HydrophobicContact CD2-CE1 4.2Å; L256-F275 HydrophobicContact CG-CE1 4.42Å; L256-F275 PolarHBondContact O-N 3.32Å; L256-I289 HydrophobicContact CD2-CD1 4.2Å; L256-F307 HydrophobicContact CD1-CB 4.21Å; L256-F308 WeakPolarHBondContact CB-O 3.48Å; L256-F308 PolarHBondContact N-O 2.95Å; L256-I318 HydrophobicContact CD1-CB 4.01Å; L256-I318 HydrophobicContact CD1-CG1 3.66Å; L256-I318 HydrophobicContact CD2-CG1 4.03Å; L256-I318 HydrophobicContact CG-CG1 4.48Å
257S85.1Confident79.5Confident3 Ų348.3 Ų48.32%0.02127%0.266CS..SBendtrans-79.7148.6176.1-60.30000111.5N255 W259 G274 S309 D310N255-S257 WeakPolarHBondContact OD1-CB 3.38Å; N255-S257 PolarHBondContact OD1-N 2.79Å; S257-W259 VanDerWaalsContact CB-CD1 3.44Å; S257-W259 PolarHBondContact O-N 3.46Å; S257-W259 PolarHBondContact OG-NE1 3.22Å; S257-G274 WeakPolarHBondContact O-CA 3.23Å; S257-S309 WeakPolarHBondContact OG-CA 3.32Å; S257-D310 WeakPolarHBondContact CB-OD1 3.4Å; S257-D310 PolarHBondContact OG-N 2.98Å; S257-D310 PolarHBondContact OG-OD1 3.06Å; S257-D310 PolarHBondContact OG-OD2 3.11Å
258P80Confident78.4Confident59 Ų5957 Ų5738%0.38331%0.307SS..SBendtrans-61-28.6178.4-2433.5000113.8
259W76.4Confident77.8Confident81 Ų8159.3 Ų59.331%0.30731%0.308SS..  trans-75.8139.8-179.157.7-94.7000111.5N255 S257 N261 L264 F308 D310N255-W259 PolarHBondContact ND2-O 3.34Å; N255-W259 VanDerWaalsContact ND2-O 3.16Å; S257-W259 VanDerWaalsContact CB-CD1 3.44Å; S257-W259 PolarHBondContact O-N 3.46Å; S257-W259 PolarHBondContact OG-NE1 3.22Å; W259-N261 HydrophobicContact CE3-CB 3.93Å; W259-N261 HydrophobicContact CZ3-CB 3.77Å; W259-L264 HydrophobicContact CH2-CD2 3.82Å; W259-L264 HydrophobicContact CZ3-CD2 3.73Å; W259-L264 HydrophobicContact CZ3-CG 4.47Å; W259-F308 HydrophobicContact CH2-CE2 4.29Å; W259-D310 PolarHBondContact NE1-OD1 3.22Å; W259-D310 PolarHBondContact NE1-OD2 2.96Å
260R71.2Confident77.7Confident189 Ų18954.5 Ų54.571%0.71328%0.283SS*.  trans-114.3113.9174.3-58.6-177.6-176.7-144.8-0.1107H272R260-H272 HydrophobicContact CG-CB 4.41Å
261N63.8Low77.6Confident59 Ų5952.7 Ų52.732%0.31628%0.279SS..  trans-109.7121.1168.6-159.2-12.9000107.4W259 D263 L264W259-N261 HydrophobicContact CE3-CB 3.93Å; W259-N261 HydrophobicContact CZ3-CB 3.77Å; N261-D263 PolarHBondContact O-N 2.86Å; N261-D263 PolarHBondContact OD1-N 3.16Å; N261-L264 HydrophobicContact CB-CG 4.26Å; N261-L264 VanDerWaalsContact O-CD1 3.24Å; N261-L264 WeakPolarHBondContact O-CD1 3.5Å; N261-L264 VanDerWaalsContact O-CG 3.32Å; N261-L264 WeakPolarHBondContact O-CG 3.49Å
262A59Low77.3Confident94 Ų9455.6 Ų55.678%0.77729%0.293SS*.THydrogen-bonded Turntrans-67.5-25.6-179.400000111.4L264A262-L264 PolarHBondContact O-N 3.41Å
263D61.7Low77.1Confident133 Ų13355.4 Ų55.471%0.71129%0.291SS*.THydrogen-bonded Turntrans-100.140.6-173.4-57.4-35.3000112.2N261N261-D263 PolarHBondContact O-N 2.86Å; N261-D263 PolarHBondContact OD1-N 3.16Å
264L68.9Low76.9Confident11 Ų1156.7 Ų56.76%0.05830%0.303CS..  trans-68.9131.1174.4-75.2157.7000109.6L236 W259 N261 A262 L266 G267 V270 F308L236-L264 HydrophobicContact CD2-CD2 3.17Å; L236-L264 HydrophobicContact CD2-CG 4.47Å; W259-L264 HydrophobicContact CH2-CD2 3.82Å; W259-L264 HydrophobicContact CZ3-CD2 3.73Å; W259-L264 HydrophobicContact CZ3-CG 4.47Å; N261-L264 HydrophobicContact CB-CG 4.26Å; N261-L264 VanDerWaalsContact O-CD1 3.24Å; N261-L264 WeakPolarHBondContact O-CD1 3.5Å; N261-L264 VanDerWaalsContact O-CG 3.32Å; N261-L264 WeakPolarHBondContact O-CG 3.49Å; A262-L264 PolarHBondContact O-N 3.41Å; L264-L266 PolarHBondContact O-N 2.82Å; L264-G267 PolarHBondContact O-N 2.63Å; L264-V270 HydrophobicContact CB-CG2 4.23Å; L264-V270 HydrophobicContact CD1-CB 4.37Å; L264-V270 HydrophobicContact CD1-CG1 3.86Å; L264-V270 HydrophobicContact CD1-CG2 4.2Å; L264-F308 HydrophobicContact CD1-CZ 4.21Å; L264-F308 HydrophobicContact CD2-CE2 4.43Å; L264-F308 HydrophobicContact CD2-CZ 4.36Å
265P66.1Low76.8Confident48 Ų4856.8 Ų56.831%0.31230%0.304SS..THydrogen-bonded Turntrans-63.4-3.7-178.824.7-33.9000114.3L236 D237 A240 G267L236-P265 HydrophobicContact CB-CG 4.31Å; L236-P265 HydrophobicContact CD2-CG 3.98Å; L236-P265 HydrophobicContact CG-CG 3.9Å; D237-P265 HydrophobicContact CB-CB 4.36Å; D237-P265 HydrophobicContact CB-CG 4.23Å; A240-P265 HydrophobicContact CB-CB 4.17Å; A240-P265 HydrophobicContact CB-CG 4.43Å; P265-G267 VanDerWaalsContact C-N 3.32Å
266L69.2Low76.7Confident1 Ų158.3 Ų58.31%0.00531%0.314CS..THydrogen-bonded Turntrans-82.2-9.3174.8-65.3164000113L236 A240 L243 F251 A253 L264 R269 V270 F308L236-L266 HydrophobicContact CD1-CD1 3.78Å; L236-L266 HydrophobicContact CG-CD1 4.38Å; A240-L266 HydrophobicContact CB-CD2 3.58Å; A240-L266 HydrophobicContact CB-CG 4.08Å; L243-L266 HydrophobicContact CD1-CD2 3.86Å; F251-L266 HydrophobicContact CE2-CD2 3.77Å; F251-L266 HydrophobicContact CZ-CD2 4.15Å; A253-L266 HydrophobicContact CB-CD1 3.95Å; L264-L266 PolarHBondContact O-N 2.82Å; L266-R269 PolarHBondContact O-NE 3.21Å; L266-V270 HydrophobicContact CB-CG2 3.57Å; L266-V270 HydrophobicContact CD1-CG2 4.27Å; L266-F308 HydrophobicContact CD1-CD1 4.42Å; L266-F308 HydrophobicContact CD1-CE1 3.94Å; L266-F308 HydrophobicContact CD1-CZ 4.3Å
267G66.7Low76.4Confident42 Ų4262.1 Ų62.143%0.43334%0.337SS..G310 helixtrans74.2-160.3176.600000114.2L264 P265 R269 V270L264-G267 PolarHBondContact O-N 2.63Å; P265-G267 VanDerWaalsContact C-N 3.32Å; G267-R269 PolarHBondContact O-N 3.16Å; G267-V270 PolarHBondContact O-N 2.82Å
268E67.3Low76.3Confident205 Ų20562.6 Ų62.696%0.95834%0.342SS*.G310 helixtrans-62.51.2179.5-62-175.8162.500114.7V270E268-V270 VanDerWaalsContact C-N 3.29Å; E268-V270 PolarHBondContact O-N 2.62Å
269R75.2Confident76.8Confident76 Ų7660.2 Ų60.229%0.28733%0.327SS..G310 helixtrans-87.75.7-178.7-65.4176.3-74.1-157.3-3.6113.6N249 A253 L266 G267N249-R269 VanDerWaalsContact CA-NH1 3.35Å; N249-R269 PolarHBondContact OD1-NH1 2.91Å; A253-R269 PolarHBondContact N-O 2.8Å; L266-R269 PolarHBondContact O-NE 3.21Å; G267-R269 PolarHBondContact O-N 3.16Å
270V83.9Confident77.6Confident21 Ų2156.5 Ų56.513%0.12731%0.313CS..EExtended strand (participates in β ladder)trans-93.5121.2179.1-177.10000110.3A253 N255 L264 L266 G267 E268 F308A253-V270 HydrophobicContact CB-CG2 4.13Å; A253-V270 CarbonylContact O-C 3.57Å; A253-V270 VanDerWaalsContact O-CA 3.31Å; A253-V270 WeakPolarHBondContact O-CA 3.25Å; N255-V270 HydrophobicContact CB-CG1 3.79Å; L264-V270 HydrophobicContact CB-CG2 4.23Å; L264-V270 HydrophobicContact CD1-CB 4.37Å; L264-V270 HydrophobicContact CD1-CG1 3.86Å; L264-V270 HydrophobicContact CD1-CG2 4.2Å; L266-V270 HydrophobicContact CB-CG2 3.57Å; L266-V270 HydrophobicContact CD1-CG2 4.27Å; G267-V270 PolarHBondContact O-N 2.82Å; E268-V270 VanDerWaalsContact C-N 3.29Å; E268-V270 PolarHBondContact O-N 2.62Å; V270-F308 HydrophobicContact CG1-CE1 4.13Å; V270-F308 HydrophobicContact CG1-CZ 4.03Å
271M86.9Confident78.6Confident65 Ų6547.5 Ų47.532%0.3228%0.28SS..EExtended strand (participates in β ladder)trans-94.7124.7164.7-167.3172.252.900109.7A253 Y254 N255 C273 S292A253-M271 PolarHBondContact O-N 3.26Å; Y254-M271 HydrophobicContact CD1-CE 3.26Å; Y254-M271 HydrophobicContact CE1-CE 3.07Å; Y254-M271 HydrophobicContact CG-CE 4.48Å; N255-M271 PolarHBondContact N-O 3.39Å; M271-C273 VanDerWaalsContact CE-SG 3.56Å; M271-S292 VanDerWaalsContact CE-OG 3.24Å; M271-S292 WeakPolarHBondContact CE-OG 3.14Å
272H87.2Confident80Confident62 Ų6246.7 Ų46.729%0.28728%0.279SS..EExtended strand (participates in β ladder)trans-85.5113.6177.5-64.9-79000111.1N255 R260N255-H272 PolarHBondContact ND2-ND1 3.29Å; R260-H272 HydrophobicContact CG-CB 4.41Å
273C88.4Confident81.6Confident9 Ų942.2 Ų42.26%0.06124%0.242CC..  trans-131.438.1-175.7-58.60000111.3N255 L256 M271 F275 L285 I289N255-C273 CarbonylContact O-C 3.6Å; N255-C273 WeakPolarHBondContact O-CA 3.42Å; N255-C273 PolarHBondContact O-N 2.83Å; L256-C273 HydrophobicContact CD2-CB 4.01Å; M271-C273 VanDerWaalsContact CE-SG 3.56Å; C273-F275 WeakPolarHBondContact O-CD1 3.44Å; C273-L285 HydrophobicContact CB-CD1 4.29Å; C273-I289 HydrophobicContact CB-CD1 3.73Å; C273-I289 HydrophobicContact CB-CG1 3.91Å
274G86.5Confident83Confident27 Ų2741.9 Ų41.928%0.27823%0.234SC..  trans-59.8137.8-174.200000114.2N255 L256 S257N255-G274 PolarHBondContact O-N 3.28Å; L256-G274 WeakPolarHBondContact O-CA 3.33Å; S257-G274 WeakPolarHBondContact O-CA 3.23Å
275F89.2Confident84.1Confident8 Ų843.2 Ų43.24%0.03524%0.241CC..  trans-146.6161.816859.4-88.3000109.6L256 C273 T279 P281 L285 N314 I318L256-F275 HydrophobicContact CB-CE1 3.93Å; L256-F275 HydrophobicContact CB-CZ 4.48Å; L256-F275 HydrophobicContact CD1-CE1 4.46Å; L256-F275 HydrophobicContact CD2-CE1 4.2Å; L256-F275 HydrophobicContact CG-CE1 4.42Å; L256-F275 PolarHBondContact O-N 3.32Å; C273-F275 WeakPolarHBondContact O-CD1 3.44Å; F275-T279 WeakPolarHBondContact CE2-O 3.45Å; F275-P281 HydrophobicContact CD1-CB 3.82Å; F275-P281 HydrophobicContact CD2-CB 4.25Å; F275-P281 HydrophobicContact CE1-CB 3.92Å; F275-P281 HydrophobicContact CE1-CG 4.27Å; F275-P281 HydrophobicContact CE2-CB 4.33Å; F275-P281 HydrophobicContact CE2-CG 4.42Å; F275-P281 HydrophobicContact CG-CB 4Å; F275-P281 HydrophobicContact CZ-CB 4.17Å; F275-P281 HydrophobicContact CZ-CG 4.16Å; F275-L285 HydrophobicContact CB-CD2 4.33Å; F275-L285 HydrophobicContact CD1-CD2 4.12Å; F275-N314 HydrophobicContact CE2-CB 3.84Å; F275-N314 VanDerWaalsContact CE2-CG 3.44Å; F275-N314 WeakPolarHBondContact CE2-ND2 3.35Å; F275-N314 HydrophobicContact CZ-CB 3.71Å; F275-I318 HydrophobicContact CE1-CD1 4.28Å; F275-I318 HydrophobicContact CE1-CG1 4.12Å; F275-I318 HydrophobicContact CZ-CG1 4.23Å
276P87.6Confident85.5Confident32 Ų3240.9 Ų40.921%0.20823%0.226CC..  trans-53.8145.5-175.1-28.132.9000114.8G278 T279 N314 D405P276-G278 PolarHBondContact O-N 3.05Å; P276-T279 HydrophobicContact CB-CG2 3.78Å; P276-T279 WeakPolarHBondContact CB-OG1 3.31Å; P276-T279 HydrophobicContact CG-CG2 4.41Å; P276-T279 PolarHBondContact O-N 2.94Å; P276-T279 PolarHBondContact O-OG1 3.04Å; P276-N314 PolarHBondContact O-ND2 2.89Å; P276-D405 WeakPolarHBondContact CD-OD1 3.32Å; P276-D405 WeakPolarHBondContact CG-OD1 3.49Å
277V84.1Confident86.5Confident79 Ų7941 Ų4148%0.47923%0.226SC..THydrogen-bonded Turntrans-65125.3176.5-178.30000109.8T279 D310 N311V277-T279 VanDerWaalsContact C-N 3.33Å; V277-T279 PolarHBondContact O-N 3.26Å; V277-D310 HydrophobicContact CG2-CB 4.11Å; V277-N311 HydrophobicContact CG1-CB 4.22Å; V277-N311 WeakPolarHBondContact CG1-ND2 3.48Å
278G82.9Confident87.7Confident13 Ų1341.2 Ų41.213%0.13422%0.221CC..THydrogen-bonded Turntrans83.71.2177.200000115.1P276 N311 N314P276-G278 PolarHBondContact O-N 3.05Å; G278-N311 PolarHBondContact N-ND2 2.98Å; G278-N314 PolarHBondContact N-OD1 2.58Å; G278-N314 VanDerWaalsContact N-OD1 3.11Å
279T90.6Very high89Confident9 Ų931.5 Ų31.56%0.05518%0.176CC..SBendtrans-94.5165.4169.2650000111.1F275 P276 V277 Q352 Q468F275-T279 WeakPolarHBondContact CE2-O 3.45Å; P276-T279 HydrophobicContact CB-CG2 3.78Å; P276-T279 WeakPolarHBondContact CB-OG1 3.31Å; P276-T279 HydrophobicContact CG-CG2 4.41Å; P276-T279 PolarHBondContact O-N 2.94Å; P276-T279 PolarHBondContact O-OG1 3.04Å; V277-T279 VanDerWaalsContact C-N 3.33Å; V277-T279 PolarHBondContact O-N 3.26Å; T279-Q352 PolarHBondContact O-NE2 3.37Å; T279-Q468 VanDerWaalsContact CA-OE1 3.23Å; T279-Q468 VanDerWaalsContact CB-OE1 3.29Å
280A92.9Very high89.9Confident3 Ų328 Ų283%0.02516%0.163CC..PPolyproline II helixtrans-78.7143.7158.800000109.7Q352 Y355 Q468A280-Q352 HydrophobicContact CB-CG 4.22Å; A280-Y355 HydrophobicContact CB-CD1 3.76Å; A280-Y355 HydrophobicContact CB-CD2 3.52Å; A280-Y355 HydrophobicContact CB-CE1 4.21Å; A280-Y355 HydrophobicContact CB-CE2 4Å; A280-Y355 HydrophobicContact CB-CG 3.38Å; A280-Q468 PolarHBondContact O-NE2 2.83Å
281P93.1Very high90.2Very high1 Ų129.4 Ų29.41%0.00617%0.169CC..PPolyproline II helixtrans-63.8156.8167.728.7-36.4000111F275 L285 T286 I318 Y355F275-P281 HydrophobicContact CD1-CB 3.82Å; F275-P281 HydrophobicContact CD2-CB 4.25Å; F275-P281 HydrophobicContact CE1-CB 3.92Å; F275-P281 HydrophobicContact CE1-CG 4.27Å; F275-P281 HydrophobicContact CE2-CB 4.33Å; F275-P281 HydrophobicContact CE2-CG 4.42Å; F275-P281 HydrophobicContact CG-CB 4Å; F275-P281 HydrophobicContact CZ-CB 4.17Å; F275-P281 HydrophobicContact CZ-CG 4.16Å; P281-L285 HydrophobicContact CB-CD2 4.12Å; P281-L285 HydrophobicContact CB-CG 4.42Å; P281-T286 VanDerWaalsContact CG-OG1 3.27Å; P281-T286 WeakPolarHBondContact CG-OG1 3.2Å; P281-I318 HydrophobicContact CB-CD1 4.34Å; P281-I318 HydrophobicContact CG-CD1 3.69Å; P281-Y355 WeakPolarHBondContact O-CD1 3.21Å; P281-Y355 WeakPolarHBondContact O-CE1 3.46Å
282S93.3Very high90.4Very high42 Ų4228 Ų2829%0.29417%0.167SC..PPolyproline II helixtrans-58.2151.6171.463.20000111K284 L285 T286 D439S282-K284 PolarHBondContact O-N 3.03Å; S282-L285 PolarHBondContact O-N 3.22Å; S282-L285 VanDerWaalsContact O-N 3.16Å; S282-L285 WeakPolarHBondContact OG-CB 3.04Å; S282-L285 PolarHBondContact OG-N 3.1Å; S282-L285 VanDerWaalsContact OG-N 3.17Å; S282-T286 WeakPolarHBondContact O-CB 3.4Å; S282-T286 PolarHBondContact O-N 3.42Å; S282-T286 PolarHBondContact O-OG1 2.82Å; S282-D439 WeakPolarHBondContact CA-OD2 3.36Å; S282-D439 WeakPolarHBondContact CB-OD2 3.44Å
283L92.5Very high90.8Very high0 Ų025.1 Ų25.10%015%0.153CC..Hα-helixtrans-59.4-40.2177.8-77.3-178.1000111.3L285 T286 F287 Y355 Y358 V359 D439 H470 F473 L522L283-L285 PolarHBondContact O-N 3.32Å; L283-T286 WeakPolarHBondContact O-CB 3.34Å; L283-T286 PolarHBondContact O-N 3.39Å; L283-F287 VanDerWaalsContact O-CD2 3.23Å; L283-F287 WeakPolarHBondContact O-CD2 3.28Å; L283-F287 PolarHBondContact O-N 2.97Å; L283-Y355 HydrophobicContact CD2-CD1 3.94Å; L283-Y355 HydrophobicContact CD2-CE1 4.33Å; L283-Y355 HydrophobicContact CG-CD1 4.24Å; L283-Y355 HydrophobicContact CG-CE1 4.11Å; L283-Y358 HydrophobicContact CD1-CD2 4.33Å; L283-Y358 HydrophobicContact CD2-CD2 4.46Å; L283-V359 HydrophobicContact CD2-CG2 4.1Å; L283-D439 PolarHBondContact N-OD1 3.48Å; L283-D439 PolarHBondContact N-OD2 3.23Å; L283-H470 HydrophobicContact CD1-CB 4.07Å; L283-F473 HydrophobicContact CD1-CD2 4.12Å; L283-F473 HydrophobicContact CD1-CE2 3.42Å; L283-F473 VanDerWaalsContact CD1-CE2 3.42Å; L283-F473 HydrophobicContact CD1-CZ 4.29Å; L283-L522 HydrophobicContact CB-CD1 4.44Å
284K90.6Very high91Very high126 Ų12625 Ų2555%0.54815%0.151SC..Hα-helixtrans-58-47.1175.1-175.4177178.71790112.2S282 S288 L522S282-K284 PolarHBondContact O-N 3.03Å; K284-S288 WeakPolarHBondContact O-CB 3.33Å; K284-S288 PolarHBondContact O-N 2.95Å; K284-L522 HydrophobicContact CB-CD2 4.46Å
285L92.3Very high91.2Very high38 Ų3827.4 Ų27.420%0.19916%0.155CC..Hα-helixtrans-65.9-41.3178.2179.659.9000111.2C273 F275 P281 S282 L283 F287 S288 I289C273-L285 HydrophobicContact CB-CD1 4.29Å; F275-L285 HydrophobicContact CB-CD2 4.33Å; F275-L285 HydrophobicContact CD1-CD2 4.12Å; P281-L285 HydrophobicContact CB-CD2 4.12Å; P281-L285 HydrophobicContact CB-CG 4.42Å; S282-L285 PolarHBondContact O-N 3.22Å; S282-L285 VanDerWaalsContact O-N 3.16Å; S282-L285 WeakPolarHBondContact OG-CB 3.04Å; S282-L285 PolarHBondContact OG-N 3.1Å; S282-L285 VanDerWaalsContact OG-N 3.17Å; L283-L285 PolarHBondContact O-N 3.32Å; L285-F287 PolarHBondContact O-N 3.01Å; L285-S288 WeakPolarHBondContact O-CB 3.27Å; L285-S288 PolarHBondContact O-N 3.46Å; L285-I289 HydrophobicContact CD1-CD1 3.97Å; L285-I289 HydrophobicContact CD1-CG1 4.1Å; L285-I289 HydrophobicContact CG-CD1 3.8Å; L285-I289 HydrophobicContact CG-CG1 4.38Å; L285-I289 VanDerWaalsContact O-CG1 3.3Å; L285-I289 WeakPolarHBondContact O-CG1 3.49Å; L285-I289 PolarHBondContact O-N 3.08Å
286T93.9Very high91.4Very high0 Ų029.4 Ų29.40%016%0.163CC..Hα-helixtrans-57.1-52.2178.1-53.60000111.4P281 S282 L283 S288 I289 C290 N321 V359P281-T286 VanDerWaalsContact CG-OG1 3.27Å; P281-T286 WeakPolarHBondContact CG-OG1 3.2Å; S282-T286 WeakPolarHBondContact O-CB 3.4Å; S282-T286 PolarHBondContact O-N 3.42Å; S282-T286 PolarHBondContact O-OG1 2.82Å; L283-T286 WeakPolarHBondContact O-CB 3.34Å; L283-T286 PolarHBondContact O-N 3.39Å; T286-S288 VanDerWaalsContact C-N 3.33Å; T286-S288 PolarHBondContact O-N 2.84Å; T286-I289 PolarHBondContact O-N 2.96Å; T286-C290 WeakPolarHBondContact O-CB 3.46Å; T286-C290 PolarHBondContact O-N 3.34Å; T286-C290 PolarHBondContact O-SG 2.77Å; T286-C290 VanDerWaalsContact O-SG 3.33Å; T286-N321 HydrophobicContact CG2-CB 3.69Å; T286-V359 HydrophobicContact CG2-CG2 3.88Å
287F92Very high91.8Very high2 Ų228 Ų281%0.00915%0.153CC..Hα-helixtrans-64.4-37.3178.1-79.8-67.3000112.6L283 L285 C290 N291 F325 V359 V362 L363 L522 L523L283-F287 VanDerWaalsContact O-CD2 3.23Å; L283-F287 WeakPolarHBondContact O-CD2 3.28Å; L283-F287 PolarHBondContact O-N 2.97Å; L285-F287 PolarHBondContact O-N 3.01Å; F287-C290 PolarHBondContact O-N 3.07Å; F287-N291 VanDerWaalsContact O-CB 3.27Å; F287-N291 WeakPolarHBondContact O-CB 2.97Å; F287-N291 PolarHBondContact O-N 3.25Å; F287-F325 HydrophobicContact CD1-CD2 4.13Å; F287-F325 AromaticContact CD1-CE2 3.92Å; F287-F325 HydrophobicContact CD1-CE2 3.92Å; F287-F325 HydrophobicContact CE1-CD2 4.15Å; F287-F325 HydrophobicContact CE1-CE2 4.27Å; F287-V359 HydrophobicContact CE1-CG1 4.3Å; F287-V359 HydrophobicContact CE2-CG2 4.37Å; F287-V359 HydrophobicContact CZ-CB 4.49Å; F287-V359 HydrophobicContact CZ-CG1 4.2Å; F287-V359 HydrophobicContact CZ-CG2 4.23Å; F287-V362 HydrophobicContact CE1-CG1 4.43Å; F287-V362 HydrophobicContact CE2-CB 4.31Å; F287-V362 HydrophobicContact CE2-CG1 4.15Å; F287-V362 HydrophobicContact CE2-CG2 4.15Å; F287-V362 HydrophobicContact CZ-CB 3.77Å; F287-V362 HydrophobicContact CZ-CG1 3.65Å; F287-V362 HydrophobicContact CZ-CG2 4.09Å; F287-L363 HydrophobicContact CE1-CD2 4.5Å; F287-L522 HydrophobicContact CD2-CB 4.08Å; F287-L522 HydrophobicContact CD2-CD1 3.94Å; F287-L522 HydrophobicContact CE2-CB 4.49Å; F287-L522 HydrophobicContact CE2-CD1 3.82Å; F287-L523 HydrophobicContact CB-CD2 4.08Å; F287-L523 HydrophobicContact CD1-CD1 4.2Å; F287-L523 HydrophobicContact CD1-CD2 3.62Å; F287-L523 HydrophobicContact CD1-CG 4.06Å; F287-L523 HydrophobicContact CE1-CD1 4.1Å; F287-L523 HydrophobicContact CE1-CD2 4.36Å; F287-L523 HydrophobicContact CE1-CG 4.42Å; F287-L523 HydrophobicContact CG-CD2 4.07Å; F287-L523 HydrophobicContact CG-CG 4.46Å
288S91.1Very high92.1Very high48 Ų4831.9 Ų31.934%0.33616%0.159SC..Hα-helixtrans-60.8-47.3175.1-177.10000112.1K284 L285 T286 N291 S292K284-S288 WeakPolarHBondContact O-CB 3.33Å; K284-S288 PolarHBondContact O-N 2.95Å; L285-S288 WeakPolarHBondContact O-CB 3.27Å; L285-S288 PolarHBondContact O-N 3.46Å; T286-S288 VanDerWaalsContact C-N 3.33Å; T286-S288 PolarHBondContact O-N 2.84Å; S288-N291 PolarHBondContact O-N 3.03Å; S288-S292 WeakPolarHBondContact O-CB 3.46Å; S288-S292 PolarHBondContact O-N 2.66Å
289I93.7Very high92.6Very high1 Ų139.6 Ų39.61%0.00518%0.184CC..Hα-helixtrans-63-50.8176.6-64163.1000110.1Y254 L256 C273 L285 T286 N291 S292 V293 F307 I318Y254-I289 HydrophobicContact CD1-CG2 3.93Å; Y254-I289 HydrophobicContact CE1-CG2 4.27Å; L256-I289 HydrophobicContact CD2-CD1 4.2Å; C273-I289 HydrophobicContact CB-CD1 3.73Å; C273-I289 HydrophobicContact CB-CG1 3.91Å; L285-I289 HydrophobicContact CD1-CD1 3.97Å; L285-I289 HydrophobicContact CD1-CG1 4.1Å; L285-I289 HydrophobicContact CG-CD1 3.8Å; L285-I289 HydrophobicContact CG-CG1 4.38Å; L285-I289 VanDerWaalsContact O-CG1 3.3Å; L285-I289 WeakPolarHBondContact O-CG1 3.49Å; L285-I289 PolarHBondContact O-N 3.08Å; T286-I289 PolarHBondContact O-N 2.96Å; I289-N291 VanDerWaalsContact C-N 3.29Å; I289-N291 PolarHBondContact O-N 3.11Å; I289-S292 WeakPolarHBondContact O-CB 3.47Å; I289-S292 PolarHBondContact O-N 3.18Å; I289-S292 VanDerWaalsContact O-N 3.13Å; I289-V293 HydrophobicContact CG2-CG2 4.08Å; I289-V293 VanDerWaalsContact O-CG2 3.31Å; I289-V293 WeakPolarHBondContact O-CG2 3.29Å; I289-V293 PolarHBondContact O-N 3.19Å; I289-F307 HydrophobicContact CG2-CE1 4.48Å; I289-I318 HydrophobicContact CD1-CD1 3.62Å; I289-I318 HydrophobicContact CD1-CG1 4.36Å; I289-I318 HydrophobicContact CG2-CG2 3.7Å
290C93.9Very high92.6Very high1 Ų142.2 Ų42.21%0.00720%0.198CC..Hα-helixtrans-57.9-42-179.6-72.50000112.2T286 F287 V293 Y294 F322 F325T286-C290 WeakPolarHBondContact O-CB 3.46Å; T286-C290 PolarHBondContact O-N 3.34Å; T286-C290 PolarHBondContact O-SG 2.77Å; T286-C290 VanDerWaalsContact O-SG 3.33Å; F287-C290 PolarHBondContact O-N 3.07Å; C290-V293 PolarHBondContact O-N 3.39Å; C290-Y294 WeakPolarHBondContact O-CB 3.3Å; C290-Y294 PolarHBondContact O-N 2.85Å; C290-F322 HydrophobicContact CB-CD2 4.12Å; C290-F322 WeakPolarHBondContact O-CE2 3.18Å; C290-F325 HydrophobicContact CB-CB 4.22Å; C290-F325 HydrophobicContact CB-CD1 3.88Å; C290-F325 HydrophobicContact CB-CD2 3.81Å; C290-F325 HydrophobicContact CB-CE1 4.01Å; C290-F325 HydrophobicContact CB-CE2 3.96Å; C290-F325 HydrophobicContact CB-CG 3.73Å; C290-F325 HydrophobicContact CB-CZ 3.99Å
291N91Very high92.5Very high51 Ų5147.8 Ų47.827%0.27323%0.231SC..Hα-helixtrans-64.6-43.7176.7-167.557.6000111.7F287 S288 I289 Y294 H295F287-N291 VanDerWaalsContact O-CB 3.27Å; F287-N291 WeakPolarHBondContact O-CB 2.97Å; F287-N291 PolarHBondContact O-N 3.25Å; S288-N291 PolarHBondContact O-N 3.03Å; I289-N291 VanDerWaalsContact C-N 3.29Å; I289-N291 PolarHBondContact O-N 3.11Å; N291-Y294 PolarHBondContact O-N 3.1Å; N291-H295 PolarHBondContact ND2-CD2 3.14Å; N291-H295 PolarHBondContact O-CD2 3.27Å; N291-H295 PolarHBondContact O-N 3.2Å; N291-H295 PolarHBondContact OD1-NE2 3.42Å
292S92.2Very high92.5Very high37 Ų3749.8 Ų49.826%0.25925%0.245SC..Hα-helixtrans-60.6-48.3175.7175.40000112.1Y254 M271 S288 I289 Y294 H295 W296Y254-S292 PolarHBondContact OH-OG 3.49Å; M271-S292 VanDerWaalsContact CE-OG 3.24Å; M271-S292 WeakPolarHBondContact CE-OG 3.14Å; S288-S292 WeakPolarHBondContact O-CB 3.46Å; S288-S292 PolarHBondContact O-N 2.66Å; I289-S292 WeakPolarHBondContact O-CB 3.47Å; I289-S292 PolarHBondContact O-N 3.18Å; I289-S292 VanDerWaalsContact O-N 3.13Å; S292-Y294 VanDerWaalsContact C-N 3.35Å; S292-Y294 PolarHBondContact O-N 3.45Å; S292-H295 PolarHBondContact O-N 3.3Å; S292-W296 WeakPolarHBondContact O-CB 3.45Å; S292-W296 PolarHBondContact O-N 3.24Å
293V94Very high92.6Very high0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-59-46.8176.2177.50000110.5L224 Y254 I289 C290 H295 W296 L297 A305 F307 F322L224-V293 HydrophobicContact CD2-CG1 4.43Å; Y254-V293 HydrophobicContact CD1-CG2 4.08Å; Y254-V293 HydrophobicContact CD2-CG2 4.43Å; Y254-V293 HydrophobicContact CE1-CG2 3.41Å; Y254-V293 VanDerWaalsContact CE1-CG2 3.41Å; Y254-V293 HydrophobicContact CE2-CG2 3.9Å; Y254-V293 VanDerWaalsContact OH-CA 3.29Å; Y254-V293 WeakPolarHBondContact OH-CA 3.13Å; Y254-V293 PolarHBondContact OH-N 2.6Å; I289-V293 HydrophobicContact CG2-CG2 4.08Å; I289-V293 VanDerWaalsContact O-CG2 3.31Å; I289-V293 WeakPolarHBondContact O-CG2 3.29Å; I289-V293 PolarHBondContact O-N 3.19Å; C290-V293 PolarHBondContact O-N 3.39Å; V293-H295 PolarHBondContact O-N 2.77Å; V293-W296 PolarHBondContact O-N 2.89Å; V293-L297 HydrophobicContact CG1-CD1 3.82Å; V293-L297 HydrophobicContact CG1-CG 4.14Å; V293-L297 WeakPolarHBondContact O-CB 3.49Å; V293-L297 WeakPolarHBondContact O-CG 3.35Å; V293-L297 PolarHBondContact O-N 3.38Å; V293-A305 HydrophobicContact CG1-CB 3.8Å; V293-F307 HydrophobicContact CG1-CZ 4.39Å; V293-F307 HydrophobicContact CG2-CE1 3.81Å; V293-F307 HydrophobicContact CG2-CZ 3.95Å; V293-F322 HydrophobicContact CB-CD2 3.92Å; V293-F322 HydrophobicContact CB-CE2 3.7Å; V293-F322 HydrophobicContact CB-CZ 4.18Å; V293-F322 HydrophobicContact CG1-CD1 4.09Å; V293-F322 HydrophobicContact CG1-CD2 3.84Å; V293-F322 HydrophobicContact CG1-CE1 3.78Å; V293-F322 HydrophobicContact CG1-CE2 3.51Å; V293-F322 HydrophobicContact CG1-CG 4.12Å; V293-F322 HydrophobicContact CG1-CZ 3.48Å; V293-F322 VanDerWaalsContact CG1-CZ 3.48Å
294Y93.4Very high92.7Very high6 Ų648.4 Ų48.42%0.02424%0.235CC..Hα-helixtrans-58.7-47.5179.7-174.6-101.6000111.9C290 N291 S292 L297 R298 F325 F526 S530 V531 M535C290-Y294 WeakPolarHBondContact O-CB 3.3Å; C290-Y294 PolarHBondContact O-N 2.85Å; N291-Y294 PolarHBondContact O-N 3.1Å; S292-Y294 VanDerWaalsContact C-N 3.35Å; S292-Y294 PolarHBondContact O-N 3.45Å; Y294-L297 PolarHBondContact O-N 2.95Å; Y294-R298 VanDerWaalsContact O-CB 3.23Å; Y294-R298 WeakPolarHBondContact O-CB 3.44Å; Y294-R298 PolarHBondContact O-N 2.88Å; Y294-F325 HydrophobicContact CG-CE1 4.35Å; Y294-F526 HydrophobicContact CD1-CE2 4.44Å; Y294-S530 PolarHBondContact OH-O 3.08Å; Y294-V531 HydrophobicContact CD2-CG1 4.19Å; Y294-V531 HydrophobicContact CE2-CG1 3.66Å; Y294-M535 HydrophobicContact CD2-CB 4.33Å; Y294-M535 HydrophobicContact CD2-CE 4.46Å; Y294-M535 HydrophobicContact CD2-CG 3.81Å; Y294-M535 HydrophobicContact CE2-CB 4.07Å; Y294-M535 HydrophobicContact CE2-CE 3.76Å; Y294-M535 HydrophobicContact CE2-CG 3.84Å
295H91.3Very high92.9Very high79 Ų7942.4 Ų42.437%0.36621%0.209SC..Hα-helixtrans-66-38.5178.2-76.5-62.3000112.7N291 S292 V293 R298 R299N291-H295 PolarHBondContact ND2-CD2 3.14Å; N291-H295 PolarHBondContact O-CD2 3.27Å; N291-H295 PolarHBondContact O-N 3.2Å; N291-H295 PolarHBondContact OD1-NE2 3.42Å; S292-H295 PolarHBondContact O-N 3.3Å; V293-H295 PolarHBondContact O-N 2.77Å; H295-R298 PolarHBondContact O-N 3.36Å; H295-R299 WeakPolarHBondContact O-CG 3.42Å; H295-R299 PolarHBondContact O-N 3.35Å
296W93.8Very high93Very high50 Ų5040.6 Ų40.619%0.18920%0.199CC..Hα-helixtrans-61.9-51175.1174-110.1000111.8F251 A252 S292 V293 R298 R299 N303 V304F251-W296 VanDerWaalsContact C-CZ2 3.46Å; A252-W296 HydrophobicContact CB-CD2 3.65Å; A252-W296 VanDerWaalsContact CB-CE2 3.46Å; A252-W296 HydrophobicContact CB-CE3 4.35Å; A252-W296 HydrophobicContact CB-CG 3.76Å; A252-W296 HydrophobicContact CB-CZ2 4.04Å; S292-W296 WeakPolarHBondContact O-CB 3.45Å; S292-W296 PolarHBondContact O-N 3.24Å; V293-W296 PolarHBondContact O-N 2.89Å; W296-R298 VanDerWaalsContact C-N 3.26Å; W296-R298 PolarHBondContact O-N 3.48Å; W296-R299 PolarHBondContact O-N 3.31Å; W296-N303 HydrophobicContact CZ2-CB 4.35Å; W296-N303 PolarHBondContact O-ND2 3.05Å; W296-V304 PolarHBondContact NE1-O 2.9Å
297L94.3Very high92.9Very high1 Ų140.6 Ų40.61%0.00520%0.199CC..Hα-helixtrans-65.8-29.2179.1-65-177.1000112.4R223 L224 V293 Y294 R299 N303 A305 F322 M535R223-L297 HydrophobicContact CB-CD2 4.31Å; R223-L297 PolarHBondContact NH1-O 3.28Å; R223-L297 VanDerWaalsContact NH2-CA 3.35Å; R223-L297 PolarHBondContact NH2-O 3.1Å; L224-L297 HydrophobicContact CD2-CD1 4.1Å; V293-L297 HydrophobicContact CG1-CD1 3.82Å; V293-L297 HydrophobicContact CG1-CG 4.14Å; V293-L297 WeakPolarHBondContact O-CB 3.49Å; V293-L297 WeakPolarHBondContact O-CG 3.35Å; V293-L297 PolarHBondContact O-N 3.38Å; Y294-L297 PolarHBondContact O-N 2.95Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-N303 HydrophobicContact CD2-CB 4.42Å; L297-N303 WeakPolarHBondContact CD2-O 3.29Å; L297-A305 HydrophobicContact CD2-CB 4.26Å; L297-F322 HydrophobicContact CD1-CE1 3.76Å; L297-F322 HydrophobicContact CD1-CZ 3.82Å; L297-M535 HydrophobicContact CB-CG 4.01Å; L297-M535 HydrophobicContact CB-SD 3.9Å; L297-M535 HydrophobicContact CD1-CG 4.41Å
298R91.7Very high92.6Very high161 Ų16140.5 Ų40.561%0.60820%0.199SC*.Hα-helixtrans-72.8-23.9177.7-173.7174.3177.3-174.81.2113.6Y294 H295 W296 D300 M535Y294-R298 VanDerWaalsContact O-CB 3.23Å; Y294-R298 WeakPolarHBondContact O-CB 3.44Å; Y294-R298 PolarHBondContact O-N 2.88Å; H295-R298 PolarHBondContact O-N 3.36Å; W296-R298 VanDerWaalsContact C-N 3.26Å; W296-R298 PolarHBondContact O-N 3.48Å; R298-D300 VanDerWaalsContact C-N 3.34Å; R298-D300 PolarHBondContact O-N 3.4Å; R298-M535 HydrophobicContact CB-CE 4.03Å; R298-M535 HydrophobicContact CB-SD 4.28Å; R298-M535 HydrophobicContact CG-CE 4.22Å
299R91.8Very high92.2Very high176 Ų17638.2 Ų38.266%0.66418%0.183SC*.Hα-helixtrans-65.5-36.4-178.4-77.8174.5-178.3-175.10.8113H295 W296 L297H295-R299 WeakPolarHBondContact O-CG 3.42Å; H295-R299 PolarHBondContact O-N 3.35Å; W296-R299 PolarHBondContact O-N 3.31Å; L297-R299 VanDerWaalsContact C-N 3.34Å
300D91.9Very high91.3Very high64 Ų6440.9 Ų40.934%0.34220%0.197SC..  trans-150.6136.1-178.9-170.6-42.3000108.7R223 R298 S302 N303R223-D300 PolarHBondContact NH2-O 3.27Å; R298-D300 VanDerWaalsContact C-N 3.34Å; R298-D300 PolarHBondContact O-N 3.4Å; D300-S302 VanDerWaalsContact CG-OG 3.28Å; D300-S302 PolarHBondContact O-N 3.22Å; D300-S302 WeakPolarHBondContact OD1-CB 3.41Å; D300-S302 PolarHBondContact OD1-N 3.48Å; D300-S302 PolarHBondContact OD1-OG 2.88Å; D300-N303 HydrophobicContact CB-CB 4.36Å; D300-N303 WeakPolarHBondContact O-CB 3.22Å; D300-N303 PolarHBondContact O-N 3.49Å; D300-N303 VanDerWaalsContact O-N 3.11Å
301V91.1Very high90.5Very high120 Ų12042.4 Ų42.473%0.72721%0.205SC*.THydrogen-bonded Turntrans-61.3-25.2178.1-65.20000113R223R223-V301 PolarHBondContact NE-O 3.32Å; R223-V301 PolarHBondContact NH2-O 2.93Å
302S92.4Very high89.7Confident42 Ų4240 Ų4029%0.29419%0.193SC..THydrogen-bonded Turntrans-941.1179.665.50000113.7R250 D300R250-S302 WeakPolarHBondContact CD-OG 3.36Å; R250-S302 PolarHBondContact NE-OG 3.43Å; D300-S302 VanDerWaalsContact CG-OG 3.28Å; D300-S302 PolarHBondContact O-N 3.22Å; D300-S302 WeakPolarHBondContact OD1-CB 3.41Å; D300-S302 PolarHBondContact OD1-N 3.48Å; D300-S302 PolarHBondContact OD1-OG 2.88Å
303N95.3Very high89.3Confident8 Ų838.4 Ų38.44%0.04318%0.182CC..  trans-68.9140.2172.3-79.1-9.9000111.1R223 R250 W296 L297 D300R223-N303 PolarHBondContact NE-O 3.11Å; R223-N303 PolarHBondContact NH2-O 3.13Å; R250-N303 WeakPolarHBondContact CB-OD1 3.22Å; R250-N303 CarbonylContact O-C 3.51Å; R250-N303 VanDerWaalsContact O-CA 3.25Å; R250-N303 WeakPolarHBondContact O-CA 3.48Å; W296-N303 HydrophobicContact CZ2-CB 4.35Å; W296-N303 PolarHBondContact O-ND2 3.05Å; L297-N303 HydrophobicContact CD2-CB 4.42Å; L297-N303 WeakPolarHBondContact CD2-O 3.29Å; D300-N303 HydrophobicContact CB-CB 4.36Å; D300-N303 WeakPolarHBondContact O-CB 3.22Å; D300-N303 PolarHBondContact O-N 3.49Å; D300-N303 VanDerWaalsContact O-N 3.11Å
304V95.1Very high89.1Confident5 Ų538.5 Ų38.53%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-123150.8173.6-560000111.2R223 I225 H247 R250 F251 A252 W296R223-V304 WeakPolarHBondContact O-CA 3.43Å; I225-V304 HydrophobicContact CD1-CB 4.19Å; I225-V304 HydrophobicContact CD1-CG2 3.93Å; H247-V304 HydrophobicContact CB-CG2 4.24Å; R250-V304 PolarHBondContact O-N 2.89Å; F251-V304 VanDerWaalsContact CA-O 3.31Å; F251-V304 WeakPolarHBondContact CA-O 3.44Å; F251-V304 HydrophobicContact CB-CG2 3.53Å; A252-V304 PolarHBondContact N-O 3.13Å; A252-V304 VanDerWaalsContact N-O 3.08Å; W296-V304 PolarHBondContact NE1-O 2.9Å
305A95.5Very high88.9Confident0 Ų038.2 Ų38.20%018%0.181CC..EExtended strand (participates in β ladder)trans-108.8132.1174.700000109.9R223 L224 I225 Y254 V293 L297 F307R223-A305 PolarHBondContact O-N 3.01Å; L224-A305 HydrophobicContact CD2-CB 4.14Å; I225-A305 PolarHBondContact N-O 2.92Å; Y254-A305 HydrophobicContact CE2-CB 4.05Å; V293-A305 HydrophobicContact CG1-CB 3.8Å; L297-A305 HydrophobicContact CD2-CB 4.26Å; A305-F307 HydrophobicContact CB-CZ 4.34Å
306V92.9Very high88.9Confident0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-115.7115.7-177.8-174.20000109I225 L227 L243 F251 A252 A253 Y254I225-V306 HydrophobicContact CB-CG2 4.25Å; I225-V306 HydrophobicContact CD1-CG2 4.33Å; I225-V306 CarbonylContact O-C 3.57Å; I225-V306 WeakPolarHBondContact O-CA 3.04Å; L227-V306 HydrophobicContact CB-CG1 4.41Å; L243-V306 HydrophobicContact CD1-CG1 4.01Å; L243-V306 HydrophobicContact CD1-CG2 3.99Å; L243-V306 HydrophobicContact CD2-CG2 3.71Å; F251-V306 HydrophobicContact CB-CG2 4.2Å; F251-V306 HydrophobicContact CD2-CG2 4.38Å; A252-V306 PolarHBondContact O-N 3.33Å; A253-V306 CarbonylContact C-O 3.59Å; A253-V306 WeakPolarHBondContact CA-O 3.46Å; A253-V306 HydrophobicContact CB-CB 4.48Å; Y254-V306 PolarHBondContact N-O 3.04Å
307F91.7Very high88.9Confident0 Ų032.2 Ų32.20%016%0.156CC..EExtended strand (participates in β ladder)trans-97.4130.8173.7-53.5-67.9000109.5L224 I225 L226 L227 Y254 L256 I289 V293 A305 I318 A319L224-F307 HydrophobicContact CB-CE2 4.48Å; L224-F307 HydrophobicContact CD2-CE2 4.08Å; L224-F307 HydrophobicContact CD2-CZ 4.4Å; I225-F307 PolarHBondContact O-N 3.25Å; L226-F307 WeakPolarHBondContact CA-O 3.04Å; L226-F307 HydrophobicContact CD1-CB 4.37Å; L227-F307 PolarHBondContact N-O 3.31Å; Y254-F307 HydrophobicContact CD2-CD1 4.37Å; Y254-F307 HydrophobicContact CD2-CE1 4.23Å; Y254-F307 HydrophobicContact CG-CD1 4.16Å; Y254-F307 HydrophobicContact CG-CE1 4.15Å; L256-F307 HydrophobicContact CD1-CB 4.21Å; I289-F307 HydrophobicContact CG2-CE1 4.48Å; V293-F307 HydrophobicContact CG1-CZ 4.39Å; V293-F307 HydrophobicContact CG2-CE1 3.81Å; V293-F307 HydrophobicContact CG2-CZ 3.95Å; A305-F307 HydrophobicContact CB-CZ 4.34Å; F307-I318 HydrophobicContact CD1-CB 4.47Å; F307-I318 HydrophobicContact CD1-CG2 3.68Å; F307-I318 HydrophobicContact CE1-CG2 3.47Å; F307-I318 VanDerWaalsContact CE1-CG2 3.47Å; F307-I318 HydrophobicContact CG-CG2 4.43Å; F307-I318 HydrophobicContact CZ-CG2 4.04Å; F307-A319 HydrophobicContact CD2-CB 4.09Å; F307-A319 HydrophobicContact CE2-CB 4.01Å
308F87.1Confident88.9Confident0 Ų032.1 Ų32.10%016%0.155CC..EExtended strand (participates in β ladder)trans-135.1140.9173.871.1-89.3000111.7L227 A253 Y254 N255 L256 W259 L264 L266 V270L227-F308 HydrophobicContact CB-CB 3.8Å; L227-F308 HydrophobicContact CD2-CB 3.94Å; L227-F308 HydrophobicContact CG-CB 4.19Å; A253-F308 HydrophobicContact CB-CD1 4.4Å; A253-F308 HydrophobicContact CB-CE1 4.01Å; Y254-F308 WeakPolarHBondContact O-CD1 3.22Å; Y254-F308 PolarHBondContact O-N 2.94Å; Y254-F308 VanDerWaalsContact O-N 3.07Å; N255-F308 HydrophobicContact CB-CD2 4.46Å; N255-F308 HydrophobicContact CB-CE1 3.73Å; N255-F308 HydrophobicContact CB-CE2 3.64Å; N255-F308 HydrophobicContact CB-CZ 3.24Å; N255-F308 WeakPolarHBondContact OD1-CE2 3.44Å; L256-F308 WeakPolarHBondContact CB-O 3.48Å; L256-F308 PolarHBondContact N-O 2.95Å; W259-F308 HydrophobicContact CH2-CE2 4.29Å; L264-F308 HydrophobicContact CD1-CZ 4.21Å; L264-F308 HydrophobicContact CD2-CE2 4.43Å; L264-F308 HydrophobicContact CD2-CZ 4.36Å; L266-F308 HydrophobicContact CD1-CD1 4.42Å; L266-F308 HydrophobicContact CD1-CE1 3.94Å; L266-F308 HydrophobicContact CD1-CZ 4.3Å; V270-F308 HydrophobicContact CG1-CE1 4.13Å; V270-F308 HydrophobicContact CG1-CZ 4.03Å
309S81.7Confident89Confident0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-152.8161.6179.834.20000111S229 S257 N311 G315S229-S309 PolarHBondContact N-O 3.43Å; S257-S309 WeakPolarHBondContact OG-CA 3.32Å; S309-N311 VanDerWaalsContact CB-O 3.28Å; S309-N311 WeakPolarHBondContact CB-O 3.33Å; S309-N311 PolarHBondContact O-N 3Å; S309-N311 VanDerWaalsContact O-N 3.12Å; S309-N311 PolarHBondContact OG-O 3.16Å; S309-G315 PolarHBondContact OG-N 2.98Å; S309-G315 VanDerWaalsContact OG-N 3.12Å
310D75.8Confident89.2Confident58 Ų5816.1 Ų16.131%0.3110%0.095SC..SBendtrans-60.3-20.9175.8-56-19.5000112.6S257 W259 V277S257-D310 WeakPolarHBondContact CB-OD1 3.4Å; S257-D310 PolarHBondContact OG-N 2.98Å; S257-D310 PolarHBondContact OG-OD1 3.06Å; S257-D310 PolarHBondContact OG-OD2 3.11Å; W259-D310 PolarHBondContact NE1-OD1 3.22Å; W259-D310 PolarHBondContact NE1-OD2 2.96Å; V277-D310 HydrophobicContact CG2-CB 4.11Å
311N75.9Confident89.3Confident33 Ų3313 Ų1318%0.1768%0.079CC..SBendtrans-127.9151.7168.570.212.6000110.2V277 G278 S309 G313 N314V277-N311 HydrophobicContact CG1-CB 4.22Å; V277-N311 WeakPolarHBondContact CG1-ND2 3.48Å; G278-N311 PolarHBondContact N-ND2 2.98Å; S309-N311 VanDerWaalsContact CB-O 3.28Å; S309-N311 WeakPolarHBondContact CB-O 3.33Å; S309-N311 PolarHBondContact O-N 3Å; S309-N311 VanDerWaalsContact O-N 3.12Å; S309-N311 PolarHBondContact OG-O 3.16Å; N311-G313 PolarHBondContact O-N 3.08Å; N311-N314 VanDerWaalsContact OD1-CB 3.27Å; N311-N314 WeakPolarHBondContact OD1-CB 3.46Å; N311-N314 VanDerWaalsContact OD1-CG 3.24Å; N311-N314 PolarHBondContact OD1-N 3.35Å; N311-N314 PolarHBondContact OD1-OD1 2.71Å
312G75Confident89.5Confident1 Ų17.3 Ų7.31%0.014%0.044CC..Hα-helixtrans-70.7-15.7174.800000113.5A316 S345G312-A316 WeakPolarHBondContact O-CB 3.43Å; G312-A316 PolarHBondContact O-N 3.33Å; G312-S345 VanDerWaalsContact C-OG 3.23Å; G312-S345 WeakPolarHBondContact CA-OG 3.26Å; G312-S345 PolarHBondContact N-OG 3.04Å
313G83.5Confident89.6Confident3 Ų35.3 Ų5.33%0.0313%0.03CC..Hα-helixtrans-66.7-42.9-178.800000114.4N311 A316 C317 S345N311-G313 PolarHBondContact O-N 3.08Å; G313-A316 PolarHBondContact O-N 2.83Å; G313-C317 WeakPolarHBondContact O-CB 3.5Å; G313-C317 PolarHBondContact O-N 3.21Å; G313-S345 PolarHBondContact N-OG 3.11Å
314N89.2Confident89.6Confident2 Ų25.1 Ų5.11%0.0113%0.029CC..Hα-helixtrans-65.4-44.3178.3-76.518.5000111.2F275 P276 G278 N311 C317 I318 Q352F275-N314 HydrophobicContact CE2-CB 3.84Å; F275-N314 VanDerWaalsContact CE2-CG 3.44Å; F275-N314 WeakPolarHBondContact CE2-ND2 3.35Å; F275-N314 HydrophobicContact CZ-CB 3.71Å; P276-N314 PolarHBondContact O-ND2 2.89Å; G278-N314 PolarHBondContact N-OD1 2.58Å; G278-N314 VanDerWaalsContact N-OD1 3.11Å; N311-N314 VanDerWaalsContact OD1-CB 3.27Å; N311-N314 WeakPolarHBondContact OD1-CB 3.46Å; N311-N314 VanDerWaalsContact OD1-CG 3.24Å; N311-N314 PolarHBondContact OD1-N 3.35Å; N311-N314 PolarHBondContact OD1-OD1 2.71Å; N314-C317 WeakPolarHBondContact O-CB 3.06Å; N314-C317 PolarHBondContact O-N 2.75Å; N314-I318 PolarHBondContact O-N 2.79Å; N314-I318 VanDerWaalsContact O-N 3.1Å; N314-Q352 PolarHBondContact OD1-NE2 3.37Å; N314-Q352 VanDerWaalsContact OD1-NE2 3.13Å
315G90.5Very high89.5Confident0 Ų04.9 Ų4.90%03%0.028CC..Hα-helixtrans-63.9-40.3173.900000113.4S309 C317 I318 A319S309-G315 PolarHBondContact OG-N 2.98Å; S309-G315 VanDerWaalsContact OG-N 3.12Å; G315-C317 VanDerWaalsContact C-N 3.31Å; G315-C317 PolarHBondContact O-N 3.26Å; G315-I318 PolarHBondContact O-N 3.28Å; G315-A319 WeakPolarHBondContact O-CB 3.39Å; G315-A319 PolarHBondContact O-N 3.08Å
316A90.7Very high89.4Confident2 Ų24.9 Ų4.92%0.0173%0.028CC..Hα-helixtrans-60.9-39.3171.300000112.1G312 G313 A319 C320 V343 L348G312-A316 WeakPolarHBondContact O-CB 3.43Å; G312-A316 PolarHBondContact O-N 3.33Å; G313-A316 PolarHBondContact O-N 2.83Å; A316-A319 PolarHBondContact O-N 2.95Å; A316-C320 WeakPolarHBondContact O-CB 3.13Å; A316-C320 PolarHBondContact O-N 3.43Å; A316-C320 PolarHBondContact O-SG 3.46Å; A316-V343 HydrophobicContact CB-CG2 4.38Å; A316-L348 HydrophobicContact CB-CD2 4.42Å
317C93.6Very high89.2Confident0 Ų09.2 Ų9.20%05%0.046CC..Hα-helixtrans-61.2-48.6177.2179.40000112.1G313 N314 G315 C320 N321 L348 Q352G313-C317 WeakPolarHBondContact O-CB 3.5Å; G313-C317 PolarHBondContact O-N 3.21Å; N314-C317 WeakPolarHBondContact O-CB 3.06Å; N314-C317 PolarHBondContact O-N 2.75Å; G315-C317 VanDerWaalsContact C-N 3.31Å; G315-C317 PolarHBondContact O-N 3.26Å; C317-C320 PolarHBondContact O-N 3.5Å; C317-N321 WeakPolarHBondContact O-CB 3.46Å; C317-N321 PolarHBondContact O-N 3.05Å; C317-N321 PolarHBondContact O-ND2 3.32Å; C317-L348 VanDerWaalsContact CA-CD2 3.42Å; C317-L348 HydrophobicContact CB-CD2 3.65Å; C317-Q352 HydrophobicContact CB-CB 4.23Å; C317-Q352 HydrophobicContact CB-CG 4.08Å
318I94.4Very high89.2Confident0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-64.2-43.5176.4-68.6-62.9000111.4L256 F275 P281 I289 F307 N314 G315 C320 N321 F322L256-I318 HydrophobicContact CD1-CB 4.01Å; L256-I318 HydrophobicContact CD1-CG1 3.66Å; L256-I318 HydrophobicContact CD2-CG1 4.03Å; L256-I318 HydrophobicContact CG-CG1 4.48Å; F275-I318 HydrophobicContact CE1-CD1 4.28Å; F275-I318 HydrophobicContact CE1-CG1 4.12Å; F275-I318 HydrophobicContact CZ-CG1 4.23Å; P281-I318 HydrophobicContact CB-CD1 4.34Å; P281-I318 HydrophobicContact CG-CD1 3.69Å; I289-I318 HydrophobicContact CD1-CD1 3.62Å; I289-I318 HydrophobicContact CD1-CG1 4.36Å; I289-I318 HydrophobicContact CG2-CG2 3.7Å; F307-I318 HydrophobicContact CD1-CB 4.47Å; F307-I318 HydrophobicContact CD1-CG2 3.68Å; F307-I318 HydrophobicContact CE1-CG2 3.47Å; F307-I318 VanDerWaalsContact CE1-CG2 3.47Å; F307-I318 HydrophobicContact CG-CG2 4.43Å; F307-I318 HydrophobicContact CZ-CG2 4.04Å; N314-I318 PolarHBondContact O-N 2.79Å; N314-I318 VanDerWaalsContact O-N 3.1Å; G315-I318 PolarHBondContact O-N 3.28Å; I318-C320 VanDerWaalsContact C-N 3.34Å; I318-C320 PolarHBondContact O-N 3.01Å; I318-N321 PolarHBondContact O-N 2.92Å; I318-F322 PolarHBondContact O-N 3.03Å
319A94.1Very high89.4Confident0 Ų09.7 Ų9.70%05%0.049CC..Hα-helixtrans-61.6-4217800000112.1L220 F307 G315 A316 F322 L323L220-A319 HydrophobicContact CD1-CB 3.35Å; F307-A319 HydrophobicContact CD2-CB 4.09Å; F307-A319 HydrophobicContact CE2-CB 4.01Å; G315-A319 WeakPolarHBondContact O-CB 3.39Å; G315-A319 PolarHBondContact O-N 3.08Å; A316-A319 PolarHBondContact O-N 2.95Å; A319-F322 PolarHBondContact O-N 3.07Å; A319-L323 WeakPolarHBondContact O-CG 3.42Å; A319-L323 PolarHBondContact O-N 2.85Å
320C94.9Very high89.9Confident0 Ų011.1 Ų11.10%06%0.059CC..Hα-helixtrans-64-44.5174.5-74.40000112.3A316 C317 I318 F322 L323 V324 C335 L348 V356A316-C320 WeakPolarHBondContact O-CB 3.13Å; A316-C320 PolarHBondContact O-N 3.43Å; A316-C320 PolarHBondContact O-SG 3.46Å; C317-C320 PolarHBondContact O-N 3.5Å; I318-C320 VanDerWaalsContact C-N 3.34Å; I318-C320 PolarHBondContact O-N 3.01Å; C320-F322 VanDerWaalsContact C-N 3.26Å; C320-F322 PolarHBondContact O-N 2.93Å; C320-L323 PolarHBondContact O-N 2.9Å; C320-V324 WeakPolarHBondContact O-CG2 3.35Å; C320-V324 PolarHBondContact O-N 2.87Å; C320-C335 HydrophobicContact CB-CB 3.91Å; C320-L348 HydrophobicContact CB-CD1 4.38Å; C320-V356 HydrophobicContact CB-CG2 4.16Å
321N95.3Very high90.7Very high0 Ų010.2 Ų10.20%05%0.054CC..Hα-helixtrans-58.2-40173.2-82.6-55.2000111.8T286 C317 I318 V324 F325 V356 V359T286-N321 HydrophobicContact CG2-CB 3.69Å; C317-N321 WeakPolarHBondContact O-CB 3.46Å; C317-N321 PolarHBondContact O-N 3.05Å; C317-N321 PolarHBondContact O-ND2 3.32Å; I318-N321 PolarHBondContact O-N 2.92Å; N321-V324 PolarHBondContact O-N 3.03Å; N321-F325 WeakPolarHBondContact O-CB 3.04Å; N321-F325 PolarHBondContact O-N 3.34Å; N321-V356 WeakPolarHBondContact OD1-CA 3.43Å; N321-V359 VanDerWaalsContact OD1-CG2 3.3Å; N321-V359 WeakPolarHBondContact OD1-CG2 3.3Å
322F95.7Very high91.5Very high0 Ų09.1 Ų9.10%05%0.049CC..Hα-helixtrans-68.4-40.5177-174.8-105.6000112.8L224 C290 V293 L297 I318 A319 C320 V324 F325 C326 P536L224-F322 HydrophobicContact CD1-CD1 3.86Å; L224-F322 HydrophobicContact CD1-CE1 4.43Å; L224-F322 HydrophobicContact CD2-CD1 3.83Å; L224-F322 HydrophobicContact CD2-CE1 3.91Å; L224-F322 HydrophobicContact CG-CD1 4.46Å; C290-F322 HydrophobicContact CB-CD2 4.12Å; C290-F322 WeakPolarHBondContact O-CE2 3.18Å; V293-F322 HydrophobicContact CB-CD2 3.92Å; V293-F322 HydrophobicContact CB-CE2 3.7Å; V293-F322 HydrophobicContact CB-CZ 4.18Å; V293-F322 HydrophobicContact CG1-CD1 4.09Å; V293-F322 HydrophobicContact CG1-CD2 3.84Å; V293-F322 HydrophobicContact CG1-CE1 3.78Å; V293-F322 HydrophobicContact CG1-CE2 3.51Å; V293-F322 HydrophobicContact CG1-CG 4.12Å; V293-F322 HydrophobicContact CG1-CZ 3.48Å; V293-F322 VanDerWaalsContact CG1-CZ 3.48Å; L297-F322 HydrophobicContact CD1-CE1 3.76Å; L297-F322 HydrophobicContact CD1-CZ 3.82Å; I318-F322 PolarHBondContact O-N 3.03Å; A319-F322 PolarHBondContact O-N 3.07Å; C320-F322 VanDerWaalsContact C-N 3.26Å; C320-F322 PolarHBondContact O-N 2.93Å; F322-V324 VanDerWaalsContact C-N 3.3Å; F322-V324 PolarHBondContact O-N 3.35Å; F322-F325 HydrophobicContact CD2-CD1 4.22Å; F322-F325 HydrophobicContact CE2-CD1 4.21Å; F322-F325 WeakPolarHBondContact O-CB 3.45Å; F322-F325 PolarHBondContact O-N 2.93Å; F322-C326 VanDerWaalsContact CZ-SG 3.51Å; F322-C326 PolarHBondContact O-N 2.89Å; F322-P536 HydrophobicContact CD1-CG 4.4Å; F322-P536 HydrophobicContact CE1-CB 4.39Å; F322-P536 HydrophobicContact CE1-CG 3.96Å
323L94.8Very high92.3Very high0 Ų013.5 Ų13.50%08%0.075CC..Hα-helixtrans-62.8-37.3174.5-71.5166.1000112T221 L224 A319 C320 K327 S328 L329 F338 P536 F537 F546T221-L323 HydrophobicContact CG2-CD2 4.18Å; L224-L323 HydrophobicContact CD1-CD2 4.03Å; L224-L323 HydrophobicContact CD1-CG 4.15Å; A319-L323 WeakPolarHBondContact O-CG 3.42Å; A319-L323 PolarHBondContact O-N 2.85Å; C320-L323 PolarHBondContact O-N 2.9Å; L323-K327 PolarHBondContact O-N 3.44Å; L323-S328 WeakPolarHBondContact O-CB 3.45Å; L323-S328 PolarHBondContact O-N 3.34Å; L323-L329 HydrophobicContact CB-CB 4.35Å; L323-L329 HydrophobicContact CB-CD1 3.94Å; L323-L329 HydrophobicContact CB-CG 4.12Å; L323-L329 HydrophobicContact CD1-CD1 3.84Å; L323-L329 HydrophobicContact CG-CD1 4.49Å; L323-L329 PolarHBondContact O-N 2.95Å; L323-F338 HydrophobicContact CD1-CD1 3.95Å; L323-F338 HydrophobicContact CD1-CE1 3.58Å; L323-F338 HydrophobicContact CD1-CZ 4.21Å; L323-P536 HydrophobicContact CD2-CB 3.87Å; L323-P536 HydrophobicContact CD2-CG 3.97Å; L323-F537 HydrophobicContact CD2-CZ 4.4Å; L323-F546 HydrophobicContact CD1-CZ 4.19Å; L323-F546 HydrophobicContact CD2-CZ 4.14Å
324V94.3Very high92.7Very high4 Ų415.4 Ų15.42%0.0248%0.083CC..Hα-helixtrans-70.3-41.7172.8171.40000111.3C320 N321 F322 C326 K327 L329 V356 V359 A360 L363C320-V324 WeakPolarHBondContact O-CG2 3.35Å; C320-V324 PolarHBondContact O-N 2.87Å; N321-V324 PolarHBondContact O-N 3.03Å; F322-V324 VanDerWaalsContact C-N 3.3Å; F322-V324 PolarHBondContact O-N 3.35Å; V324-C326 VanDerWaalsContact C-N 3.25Å; V324-C326 PolarHBondContact O-N 3.26Å; V324-K327 WeakPolarHBondContact O-CA 3.43Å; V324-K327 PolarHBondContact O-N 3.36Å; V324-L329 WeakPolarHBondContact CA-O 3.42Å; V324-L329 HydrophobicContact CG2-CB 4.15Å; V324-V356 HydrophobicContact CG2-CG1 3.8Å; V324-V359 HydrophobicContact CG1-CG1 4.2Å; V324-A360 HydrophobicContact CG1-CB 3.77Å; V324-L363 HydrophobicContact CG1-CD1 4.08Å; V324-L363 WeakPolarHBondContact O-CD1 3.46Å
325F93.1Very high92.9Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-56.3-39.1173.5-176.6-97.8000112.6F287 C290 Y294 N321 F322 K327 L363 L523 F526F287-F325 HydrophobicContact CD1-CD2 4.13Å; F287-F325 AromaticContact CD1-CE2 3.92Å; F287-F325 HydrophobicContact CD1-CE2 3.92Å; F287-F325 HydrophobicContact CE1-CD2 4.15Å; F287-F325 HydrophobicContact CE1-CE2 4.27Å; C290-F325 HydrophobicContact CB-CB 4.22Å; C290-F325 HydrophobicContact CB-CD1 3.88Å; C290-F325 HydrophobicContact CB-CD2 3.81Å; C290-F325 HydrophobicContact CB-CE1 4.01Å; C290-F325 HydrophobicContact CB-CE2 3.96Å; C290-F325 HydrophobicContact CB-CG 3.73Å; C290-F325 HydrophobicContact CB-CZ 3.99Å; Y294-F325 HydrophobicContact CG-CE1 4.35Å; N321-F325 WeakPolarHBondContact O-CB 3.04Å; N321-F325 PolarHBondContact O-N 3.34Å; F322-F325 HydrophobicContact CD2-CD1 4.22Å; F322-F325 HydrophobicContact CE2-CD1 4.21Å; F322-F325 WeakPolarHBondContact O-CB 3.45Å; F322-F325 PolarHBondContact O-N 2.93Å; F325-K327 VanDerWaalsContact C-N 3.27Å; F325-K327 PolarHBondContact O-N 3.4Å; F325-L363 HydrophobicContact CD2-CD2 4.27Å; F325-L523 HydrophobicContact CE2-CD2 4.41Å; F325-F526 HydrophobicContact CD1-CZ 4.03Å; F325-F526 HydrophobicContact CD2-CE1 4.22Å; F325-F526 HydrophobicContact CD2-CZ 4.17Å; F325-F526 HydrophobicContact CE1-CD2 4.47Å; F325-F526 HydrophobicContact CE1-CE1 4.17Å; F325-F526 AromaticContact CE1-CE2 3.45Å; F325-F526 HydrophobicContact CE1-CE2 3.45Å; F325-F526 VanDerWaalsContact CE1-CE2 3.45Å; F325-F526 AromaticContact CE1-CZ 3.22Å; F325-F526 HydrophobicContact CE1-CZ 3.22Å; F325-F526 HydrophobicContact CE2-CD1 4.08Å; F325-F526 HydrophobicContact CE2-CD2 4.5Å; F325-F526 AromaticContact CE2-CE1 3.45Å; F325-F526 HydrophobicContact CE2-CE1 3.45Å; F325-F526 VanDerWaalsContact CE2-CE1 3.45Å; F325-F526 AromaticContact CE2-CE2 3.99Å; F325-F526 HydrophobicContact CE2-CE2 3.99Å; F325-F526 AromaticContact CE2-CZ 3.38Å; F325-F526 HydrophobicContact CE2-CZ 3.38Å; F325-F526 HydrophobicContact CG-CZ 4.46Å; F325-F526 HydrophobicContact CZ-CD1 4.11Å; F325-F526 AromaticContact CZ-CD2 3.76Å; F325-F526 HydrophobicContact CZ-CD2 3.76Å; F325-F526 AromaticContact CZ-CE1 3.48Å; F325-F526 HydrophobicContact CZ-CE1 3.48Å; F325-F526 VanDerWaalsContact CZ-CE1 3.48Å; F325-F526 AromaticContact CZ-CE2 3.1Å; F325-F526 HydrophobicContact CZ-CE2 3.1Å; F325-F526 HydrophobicContact CZ-CG 4.21Å; F325-F526 AromaticContact CZ-CZ 2.88Å; F325-F526 HydrophobicContact CZ-CZ 2.88Å
326C92.5Very high92.9Very high0 Ų020 Ų200%010%0.101CC..THydrogen-bonded Turntrans-77.9-1.6173.3-70.90000114.5F322 V324 S328 V531 P533 P536F322-C326 VanDerWaalsContact CZ-SG 3.51Å; F322-C326 PolarHBondContact O-N 2.89Å; V324-C326 VanDerWaalsContact C-N 3.25Å; V324-C326 PolarHBondContact O-N 3.26Å; C326-S328 PolarHBondContact O-N 3.27Å; C326-V531 HydrophobicContact CB-CG1 4.39Å; C326-P533 WeakPolarHBondContact O-CA 3.35Å; C326-P536 HydrophobicContact CB-CG 3.85Å
327K89.9Confident92.9Very high90 Ų9025.8 Ų25.839%0.39113%0.126SC..THydrogen-bonded Turntrans59.920.2-172.2-50.1177.3178.2177.60113.1L323 V324 F325 P528 D529 P533L323-K327 PolarHBondContact O-N 3.44Å; V324-K327 WeakPolarHBondContact O-CA 3.43Å; V324-K327 PolarHBondContact O-N 3.36Å; F325-K327 VanDerWaalsContact C-N 3.27Å; F325-K327 PolarHBondContact O-N 3.4Å; K327-P528 VanDerWaalsContact CE-O 3.27Å; K327-P528 WeakPolarHBondContact CE-O 3.21Å; K327-P528 PolarHBondContact NZ-O 3.03Å; K327-P528 VanDerWaalsContact NZ-O 3.14Å; K327-D529 IonicContact NZ-OD1 3.7Å; K327-D529 PolarHBondContact NZ-OD1 2.91Å; K327-P533 HydrophobicContact CB-CG 4.47Å
328S90.6Very high92.8Very high3 Ų325.8 Ų25.82%0.02113%0.126CC..SBendtrans-78.8-29175.3-45.50000111.7L323 C326 P533L323-S328 WeakPolarHBondContact O-CB 3.45Å; L323-S328 PolarHBondContact O-N 3.34Å; C326-S328 PolarHBondContact O-N 3.27Å; S328-P533 PolarHBondContact OG-O 3.23Å
329L92.9Very high92.5Very high7 Ų726.2 Ų26.24%0.03713%0.128CC..SBendtrans-126.4157.3168.5-66.8178.2000109.5L323 V324 H334 C335 F338 F546L323-L329 HydrophobicContact CB-CB 4.35Å; L323-L329 HydrophobicContact CB-CD1 3.94Å; L323-L329 HydrophobicContact CB-CG 4.12Å; L323-L329 HydrophobicContact CD1-CD1 3.84Å; L323-L329 HydrophobicContact CG-CD1 4.49Å; L323-L329 PolarHBondContact O-N 2.95Å; V324-L329 WeakPolarHBondContact CA-O 3.42Å; V324-L329 HydrophobicContact CG2-CB 4.15Å; L329-H334 HydrophobicContact CD2-CB 4.17Å; L329-C335 HydrophobicContact CD1-CB 4.41Å; L329-C335 VanDerWaalsContact CD1-SG 3.57Å; L329-F338 HydrophobicContact CD1-CB 4.26Å; L329-F338 HydrophobicContact CD1-CD1 4.35Å; L329-F338 HydrophobicContact CD1-CG 4.42Å; L329-F546 HydrophobicContact CD1-CE1 4.44Å; L329-F546 HydrophobicContact CD1-CZ 4.08Å; L329-F546 HydrophobicContact CD2-CE1 3.51Å; L329-F546 HydrophobicContact CD2-CZ 3.86Å; L329-F546 HydrophobicContact CG-CE1 3.77Å; L329-F546 HydrophobicContact CG-CZ 3.91Å
330S90.5Very high92.2Very high31 Ų3134.9 Ų34.922%0.21717%0.165CC..  trans-98.2-34.7-174.154.70000115.1H334 A360S330-H334 PolarHBondContact OG-CE1 3.46Å; S330-H334 PolarHBondContact OG-ND1 2.74Å; S330-A360 WeakPolarHBondContact O-CB 3.35Å
331D92.4Very high91.3Very high38 Ų3838.7 Ų38.720%0.20321%0.205CC..SBendtrans-161.3177.7-167.857.252.2000111.9V333 H334 C335D331-V333 VanDerWaalsContact C-N 3.3Å; D331-V333 PolarHBondContact O-N 3.33Å; D331-V333 WeakPolarHBondContact OD1-CA 3.27Å; D331-V333 WeakPolarHBondContact OD1-CB 3.11Å; D331-V333 PolarHBondContact OD1-N 3Å; D331-H334 IonicContact OD1-CE1 3.36Å; D331-H334 IonicContact OD1-CG 3.45Å; D331-H334 PolarHBondContact OD1-N 3.23Å; D331-H334 IonicContact OD1-ND1 3.54Å; D331-H334 PolarHBondContact OD1-ND1 2.92Å; D331-H334 IonicContact OD2-CE1 3.78Å; D331-H334 PolarHBondContact OD2-CE1 2.77Å; D331-H334 VanDerWaalsContact OD2-CE1 3.27Å; D331-H334 IonicContact OD2-ND1 3.52Å; D331-H334 PolarHBondContact OD2-ND1 2.94Å; D331-C335 PolarHBondContact O-N 3.11Å; D331-C335 VanDerWaalsContact O-N 3.13Å; D331-C335 PolarHBondContact O-SG 3.37Å
332S93.1Very high90.6Very high10 Ų1042.2 Ų42.27%0.0722%0.22CC..Hα-helixtrans-65.7-27-179.871.80000114.2C335 R336 A353 D357S332-C335 WeakPolarHBondContact O-CB 3.4Å; S332-C335 PolarHBondContact O-N 3.11Å; S332-R336 WeakPolarHBondContact O-CB 3.47Å; S332-R336 VanDerWaalsContact O-CG 3.29Å; S332-R336 WeakPolarHBondContact O-CG 3.47Å; S332-R336 PolarHBondContact O-N 3.27Å; S332-A353 WeakPolarHBondContact CB-O 3.45Å; S332-D357 VanDerWaalsContact CB-OD1 3.27Å; S332-D357 WeakPolarHBondContact CB-OD1 3.4Å; S332-D357 VanDerWaalsContact CB-OD2 3.32Å; S332-D357 WeakPolarHBondContact CB-OD2 3.32Å; S332-D357 PolarHBondContact N-OD1 2.84Å; S332-D357 VanDerWaalsContact OG-CG 3.27Å; S332-D357 PolarHBondContact OG-OD1 3.41Å; S332-D357 PolarHBondContact OG-OD2 3.48Å
333V92.4Very high89.7Confident93 Ų9343 Ų4356%0.56423%0.225SC*.Hα-helixtrans-68.7-48.2179.41800000110.1D331 C335 R336 K337D331-V333 VanDerWaalsContact C-N 3.3Å; D331-V333 PolarHBondContact O-N 3.33Å; D331-V333 WeakPolarHBondContact OD1-CA 3.27Å; D331-V333 WeakPolarHBondContact OD1-CB 3.11Å; D331-V333 PolarHBondContact OD1-N 3Å; V333-C335 VanDerWaalsContact C-N 3.31Å; V333-C335 PolarHBondContact O-N 2.71Å; V333-R336 PolarHBondContact O-N 3.5Å; V333-K337 PolarHBondContact O-N 2.69Å
334H92.8Very high88Confident43 Ų4348.7 Ų48.720%0.19927%0.265CS..Hα-helixtrans-65.9-37.2176-6287.6000111.1L329 S330 D331 K337 F338 Y550L329-H334 HydrophobicContact CD2-CB 4.17Å; S330-H334 PolarHBondContact OG-CE1 3.46Å; S330-H334 PolarHBondContact OG-ND1 2.74Å; D331-H334 IonicContact OD1-CE1 3.36Å; D331-H334 IonicContact OD1-CG 3.45Å; D331-H334 PolarHBondContact OD1-N 3.23Å; D331-H334 IonicContact OD1-ND1 3.54Å; D331-H334 PolarHBondContact OD1-ND1 2.92Å; D331-H334 IonicContact OD2-CE1 3.78Å; D331-H334 PolarHBondContact OD2-CE1 2.77Å; D331-H334 VanDerWaalsContact OD2-CE1 3.27Å; D331-H334 IonicContact OD2-ND1 3.52Å; D331-H334 PolarHBondContact OD2-ND1 2.94Å; H334-K337 PolarHBondContact O-N 2.84Å; H334-F338 WeakPolarHBondContact O-CB 3.37Å; H334-F338 PolarHBondContact O-N 3.4Å; H334-Y550 PolarHBondContact CD2-O 3.23Å
335C92.9Very high86.4Confident0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-60.2-46.9172.6-71.10000112.7C320 L329 D331 S332 V333 K337 F338 I339 L348C320-C335 HydrophobicContact CB-CB 3.91Å; L329-C335 HydrophobicContact CD1-CB 4.41Å; L329-C335 VanDerWaalsContact CD1-SG 3.57Å; D331-C335 PolarHBondContact O-N 3.11Å; D331-C335 VanDerWaalsContact O-N 3.13Å; D331-C335 PolarHBondContact O-SG 3.37Å; S332-C335 WeakPolarHBondContact O-CB 3.4Å; S332-C335 PolarHBondContact O-N 3.11Å; V333-C335 VanDerWaalsContact C-N 3.31Å; V333-C335 PolarHBondContact O-N 2.71Å; C335-K337 PolarHBondContact O-N 2.84Å; C335-F338 WeakPolarHBondContact O-CB 3.36Å; C335-F338 PolarHBondContact O-N 3.47Å; C335-F338 VanDerWaalsContact O-N 3.16Å; C335-I339 WeakPolarHBondContact O-CG1 3.48Å; C335-I339 PolarHBondContact O-N 2.81Å; C335-L348 HydrophobicContact CB-CD1 4.33Å
336R91Very high85.1Confident99 Ų9954.5 Ų54.537%0.37430%0.301SS..Hα-helixtrans-61.4-42176.5-76.9175.7177.9-168.80.8111.8S332 V333 F338 I339 K340 L348S332-R336 WeakPolarHBondContact O-CB 3.47Å; S332-R336 VanDerWaalsContact O-CG 3.29Å; S332-R336 WeakPolarHBondContact O-CG 3.47Å; S332-R336 PolarHBondContact O-N 3.27Å; V333-R336 PolarHBondContact O-N 3.5Å; R336-F338 VanDerWaalsContact C-N 3.29Å; R336-F338 PolarHBondContact O-N 3.34Å; R336-I339 WeakPolarHBondContact O-CG1 3.17Å; R336-K340 WeakPolarHBondContact O-CB 3.34Å; R336-K340 PolarHBondContact O-N 3.45Å; R336-K340 VanDerWaalsContact O-N 3.12Å; R336-L348 HydrophobicContact CG-CD1 4.41Å
337K90.4Very high84.4Confident124 Ų12459.1 Ų59.154%0.53933%0.331SS..Hα-helixtrans-61.2-38.8174.4-172-172.6179.9-165.60111.7V333 H334 C335 R549 Y550V333-K337 PolarHBondContact O-N 2.69Å; H334-K337 PolarHBondContact O-N 2.84Å; C335-K337 PolarHBondContact O-N 2.84Å; K337-R549 PolarHBondContact NZ-O 3.12Å; K337-R549 VanDerWaalsContact NZ-O 3.15Å; K337-Y550 HydrophobicContact CD-CD1 4.27Å; K337-Y550 HydrophobicContact CG-CD1 4.2Å; K337-Y550 HydrophobicContact CG-CE1 4.4Å
338F90.7Very high84.4Confident0 Ų055.2 Ų55.20%031%0.314CS..Hα-helixtrans-68.3-46.2-179.3166.2-111.6000113.4L220 L323 L329 H334 C335 R336 K342 F546 Y550L220-F338 HydrophobicContact CB-CE1 4.23Å; L220-F338 HydrophobicContact CB-CZ 3.97Å; L220-F338 HydrophobicContact CD2-CE1 4.32Å; L220-F338 HydrophobicContact CD2-CZ 4.45Å; L220-F338 VanDerWaalsContact O-CZ 3.27Å; L220-F338 WeakPolarHBondContact O-CZ 3.49Å; L323-F338 HydrophobicContact CD1-CD1 3.95Å; L323-F338 HydrophobicContact CD1-CE1 3.58Å; L323-F338 HydrophobicContact CD1-CZ 4.21Å; L329-F338 HydrophobicContact CD1-CB 4.26Å; L329-F338 HydrophobicContact CD1-CD1 4.35Å; L329-F338 HydrophobicContact CD1-CG 4.42Å; H334-F338 WeakPolarHBondContact O-CB 3.37Å; H334-F338 PolarHBondContact O-N 3.4Å; C335-F338 WeakPolarHBondContact O-CB 3.36Å; C335-F338 PolarHBondContact O-N 3.47Å; C335-F338 VanDerWaalsContact O-N 3.16Å; R336-F338 VanDerWaalsContact C-N 3.29Å; R336-F338 PolarHBondContact O-N 3.34Å; F338-K342 HydrophobicContact CE2-CD 4.12Å; F338-K342 HydrophobicContact CZ-CD 4.35Å; F338-F546 HydrophobicContact CD2-CD2 4.46Å; F338-F546 AromaticContact CD2-CE2 3.55Å; F338-F546 HydrophobicContact CD2-CE2 3.55Å; F338-F546 AromaticContact CD2-CZ 3.95Å; F338-F546 HydrophobicContact CD2-CZ 3.95Å; F338-F546 HydrophobicContact CE2-CD2 4.11Å; F338-F546 AromaticContact CE2-CE2 3.24Å; F338-F546 HydrophobicContact CE2-CE2 3.24Å; F338-F546 AromaticContact CE2-CZ 4Å; F338-F546 HydrophobicContact CE2-CZ 4Å; F338-F546 HydrophobicContact CG-CE2 4.32Å; F338-F546 HydrophobicContact CG-CZ 4.31Å; F338-F546 AromaticContact CZ-CE2 3.79Å; F338-F546 HydrophobicContact CZ-CE2 3.79Å; F338-F546 HydrophobicContact CZ-CZ 4.39Å; F338-Y550 HydrophobicContact CB-CD1 4.05Å; F338-Y550 HydrophobicContact CB-CE1 4.28Å; F338-Y550 HydrophobicContact CB-CG 4.28Å; F338-Y550 AromaticContact CD2-CD2 3.99Å; F338-Y550 HydrophobicContact CD2-CD2 3.99Å; F338-Y550 HydrophobicContact CD2-CE1 4.43Å; F338-Y550 AromaticContact CD2-CE2 3.83Å; F338-Y550 HydrophobicContact CD2-CE2 3.83Å; F338-Y550 HydrophobicContact CD2-CG 4.36Å; F338-Y550 HydrophobicContact CE2-CE2 4.48Å
339I89.4Confident84.4Confident8 Ų856 Ų564%0.04132%0.32CS..Hα-helixtrans-79-19.8-177.865.8-176.7000113.2C335 R336 G341 K342 V343 L348C335-I339 WeakPolarHBondContact O-CG1 3.48Å; C335-I339 PolarHBondContact O-N 2.81Å; R336-I339 WeakPolarHBondContact O-CG1 3.17Å; I339-G341 PolarHBondContact O-N 3.24Å; I339-G341 VanDerWaalsContact O-N 3.1Å; I339-K342 PolarHBondContact O-N 3Å; I339-V343 HydrophobicContact CB-CG2 4.42Å; I339-V343 PolarHBondContact O-N 3.5Å; I339-L348 HydrophobicContact CD1-CB 4.28Å; I339-L348 HydrophobicContact CD1-CD1 3.66Å; I339-L348 HydrophobicContact CD1-CD2 4.44Å; I339-L348 HydrophobicContact CD1-CG 3.44Å; I339-L348 VanDerWaalsContact CD1-CG 3.44Å
340K86.5Confident84.4Confident182 Ų18257.1 Ų57.179%0.79133%0.327SS*.THydrogen-bonded Turntrans-56.2115.7-179.8-173.4176.3-177.8-1800110.1R336 K342R336-K340 WeakPolarHBondContact O-CB 3.34Å; R336-K340 PolarHBondContact O-N 3.45Å; R336-K340 VanDerWaalsContact O-N 3.12Å; K340-K342 VanDerWaalsContact C-N 3.33Å; K340-K342 PolarHBondContact O-N 3.15Å
341G76Confident84.7Confident81 Ų8155.6 Ų55.684%0.83532%0.316SS*.THydrogen-bonded Turntrans85-10179.900000115.7I339I339-G341 PolarHBondContact O-N 3.24Å; I339-G341 VanDerWaalsContact O-N 3.1Å
342K80.6Confident84.8Confident74 Ų7453.9 Ų53.932%0.32231%0.307SS..THydrogen-bonded Turntrans-89.4-42.6173-71.7-169.3173.7-164.80112.3L220 F338 I339 K340L220-K342 PolarHBondContact O-NZ 3.44Å; F338-K342 HydrophobicContact CE2-CD 4.12Å; F338-K342 HydrophobicContact CZ-CD 4.35Å; I339-K342 PolarHBondContact O-N 3Å; K340-K342 VanDerWaalsContact C-N 3.33Å; K340-K342 PolarHBondContact O-N 3.15Å
343V76.3Confident84.8Confident16 Ų1653.5 Ų53.510%0.09731%0.305CS..  trans-101.2108.7179.7-179.30000106.4L220 L226 A316 I339 S345L220-V343 HydrophobicContact CD2-CG2 4Å; L226-V343 HydrophobicContact CD2-CG1 4.08Å; L226-V343 HydrophobicContact CD2-CG2 3.76Å; A316-V343 HydrophobicContact CB-CG2 4.38Å; I339-V343 HydrophobicContact CB-CG2 4.42Å; I339-V343 PolarHBondContact O-N 3.5Å; V343-S345 WeakPolarHBondContact CG1-OG 3.48Å; V343-S345 PolarHBondContact O-N 3.47Å
344S60.9Low85Confident119 Ų11950.8 Ų50.883%0.83228%0.284SS*.  trans-70.8-16.4178.3500000112.7
345S60.1Low85.1Confident27 Ų2748.8 Ų48.819%0.18928%0.275CS..SBendtrans-78.6162.2175.373.10000112.5G312 G313 V343G312-S345 VanDerWaalsContact C-OG 3.23Å; G312-S345 WeakPolarHBondContact CA-OG 3.26Å; G312-S345 PolarHBondContact N-OG 3.04Å; G313-S345 PolarHBondContact N-OG 3.11Å; V343-S345 WeakPolarHBondContact CG1-OG 3.48Å; V343-S345 PolarHBondContact O-N 3.47Å
346V65Low85.3Confident100 Ų10048.8 Ų48.861%0.60628%0.275SS*.  trans-31.4122.2177.1-173.50000112.4
347P78.5Confident85.5Confident97 Ų9746.6 Ų46.663%0.6327%0.271SS*.PPolyproline II helixtrans-59.9164.9178.727.2-35.4000111.1T349P347-T349 PolarHBondContact O-N 3.3Å; P347-T349 VanDerWaalsContact O-N 3.11Å
348L88.7Confident85.7Confident7 Ų741.7 Ų41.74%0.03725%0.249CC..PPolyproline II helixtrans-48.8123177.1-69.3171.5000110.8A316 C317 C320 C335 R336 I339 Q352A316-L348 HydrophobicContact CB-CD2 4.42Å; C317-L348 VanDerWaalsContact CA-CD2 3.42Å; C317-L348 HydrophobicContact CB-CD2 3.65Å; C320-L348 HydrophobicContact CB-CD1 4.38Å; C335-L348 HydrophobicContact CB-CD1 4.33Å; R336-L348 HydrophobicContact CG-CD1 4.41Å; I339-L348 HydrophobicContact CD1-CB 4.28Å; I339-L348 HydrophobicContact CD1-CD1 3.66Å; I339-L348 HydrophobicContact CD1-CD2 4.44Å; I339-L348 HydrophobicContact CD1-CG 3.44Å; I339-L348 VanDerWaalsContact CD1-CG 3.44Å; L348-Q352 HydrophobicContact CB-CB 4.37Å; L348-Q352 HydrophobicContact CD2-CB 4.13Å
349T91.5Very high85.9Confident21 Ų2141.7 Ų41.713%0.12925%0.249CC..PPolyproline II helixtrans-62.5155.9176.571.70000109.9P347 S351 Q352 A353P347-T349 PolarHBondContact O-N 3.3Å; P347-T349 VanDerWaalsContact O-N 3.11Å; T349-S351 PolarHBondContact O-N 2.94Å; T349-Q352 WeakPolarHBondContact O-CB 3.34Å; T349-Q352 PolarHBondContact O-N 3.33Å; T349-Q352 VanDerWaalsContact OG1-CG 3.3Å; T349-Q352 WeakPolarHBondContact OG1-CG 3.49Å; T349-Q352 PolarHBondContact OG1-N 3.09Å; T349-A353 PolarHBondContact O-N 3.29Å
350P93.7Very high86.1Confident29 Ų2941.7 Ų41.719%0.18825%0.25CC..Hα-helixtrans-53.4-35.6176.2-33.140.1000114.2R354 N486 D487 L488P350-R354 WeakPolarHBondContact O-CB 3.21Å; P350-R354 PolarHBondContact O-N 3.14Å; P350-N486 WeakPolarHBondContact CB-O 3.43Å; P350-N486 WeakPolarHBondContact CG-O 3.21Å; P350-D487 VanDerWaalsContact CB-C 3.47Å; P350-D487 WeakPolarHBondContact CB-O 3.34Å; P350-L488 WeakPolarHBondContact CG-O 3.49Å
351S95.1Very high86.3Confident0 Ų034.4 Ų34.40%022%0.222CC..Hα-helixtrans-69.4-40.9174.2-640000112.6T349 A353 R354 Y355 F467 Q468 C489T349-S351 PolarHBondContact O-N 2.94Å; S351-A353 PolarHBondContact O-N 2.94Å; S351-R354 WeakPolarHBondContact O-CB 3.47Å; S351-R354 PolarHBondContact O-N 3.22Å; S351-R354 PolarHBondContact OG-NH1 3.18Å; S351-Y355 VanDerWaalsContact O-CD2 3.29Å; S351-Y355 WeakPolarHBondContact O-CD2 3.4Å; S351-Y355 PolarHBondContact O-N 3.49Å; S351-Y355 VanDerWaalsContact O-N 3.08Å; S351-F467 WeakPolarHBondContact OG-CA 3.17Å; S351-Q468 PolarHBondContact OG-N 2.96Å; S351-C489 VanDerWaalsContact CB-SG 3.54Å; S351-C489 PolarHBondContact N-SG 3.27Å; S351-C489 PolarHBondContact OG-SG 3.13Å
352Q94.7Very high87Confident1 Ų130.8 Ų30.81%0.00518%0.184CC..Hα-helixtrans-62.8-41.5174.4-73171.4-17.800112.1T279 A280 N314 C317 L348 T349 Y355 V356T279-Q352 PolarHBondContact O-NE2 3.37Å; A280-Q352 HydrophobicContact CB-CG 4.22Å; N314-Q352 PolarHBondContact OD1-NE2 3.37Å; N314-Q352 VanDerWaalsContact OD1-NE2 3.13Å; C317-Q352 HydrophobicContact CB-CB 4.23Å; C317-Q352 HydrophobicContact CB-CG 4.08Å; L348-Q352 HydrophobicContact CB-CB 4.37Å; L348-Q352 HydrophobicContact CD2-CB 4.13Å; T349-Q352 WeakPolarHBondContact O-CB 3.34Å; T349-Q352 PolarHBondContact O-N 3.33Å; T349-Q352 VanDerWaalsContact OG1-CG 3.3Å; T349-Q352 WeakPolarHBondContact OG1-CG 3.49Å; T349-Q352 PolarHBondContact OG1-N 3.09Å; Q352-Y355 PolarHBondContact O-N 3.3Å; Q352-V356 WeakPolarHBondContact O-CG2 3.29Å; Q352-V356 PolarHBondContact O-N 3.32Å; Q352-V356 VanDerWaalsContact O-N 3.08Å
353A94.6Very high87.4Confident3 Ų328.2 Ų28.23%0.02517%0.173CC..Hα-helixtrans-61.8-43.7174.500000111.9S332 T349 S351 Y355 V356 D357S332-A353 WeakPolarHBondContact CB-O 3.45Å; T349-A353 PolarHBondContact O-N 3.29Å; S351-A353 PolarHBondContact O-N 2.94Å; A353-Y355 VanDerWaalsContact C-N 3.27Å; A353-Y355 PolarHBondContact O-N 2.9Å; A353-V356 WeakPolarHBondContact O-CB 3.41Å; A353-V356 PolarHBondContact O-N 3.36Å; A353-V356 VanDerWaalsContact O-N 3.11Å; A353-D357 PolarHBondContact O-N 2.75Å
354R95.6Very high87.9Confident36 Ų3633.9 Ų33.914%0.13619%0.193CC..Hα-helixtrans-57-40.3175-171.8-178.2-59.8113.68.8112.3P350 S351 D357 Y358 Q468 D487P350-R354 WeakPolarHBondContact O-CB 3.21Å; P350-R354 PolarHBondContact O-N 3.14Å; S351-R354 WeakPolarHBondContact O-CB 3.47Å; S351-R354 PolarHBondContact O-N 3.22Å; S351-R354 PolarHBondContact OG-NH1 3.18Å; R354-D357 PolarHBondContact O-N 3.06Å; R354-Y358 VanDerWaalsContact CD-OH 3.32Å; R354-Y358 WeakPolarHBondContact CD-OH 3.37Å; R354-Y358 HydrophobicContact CG-CD1 4.4Å; R354-Y358 HydrophobicContact CG-CE1 3.76Å; R354-Y358 HydrophobicContact CG-CE2 4.06Å; R354-Y358 WeakPolarHBondContact O-CD1 3.48Å; R354-Y358 VanDerWaalsContact O-CG 3.3Å; R354-Y358 PolarHBondContact O-N 2.99Å; R354-Q468 WeakPolarHBondContact CD-O 3.45Å; R354-Q468 PolarHBondContact NH1-O 2.79Å; R354-D487 PolarHBondContact NH2-O 3.03Å
355Y95.8Very high89.1Confident0 Ų031.8 Ų31.80%017%0.17CC..Hα-helixtrans-69.9-34177-89.2-114.2000113.4A280 P281 L283 S351 Q352 A353 D357 Y358 V359 D439 Q468A280-Y355 HydrophobicContact CB-CD1 3.76Å; A280-Y355 HydrophobicContact CB-CD2 3.52Å; A280-Y355 HydrophobicContact CB-CE1 4.21Å; A280-Y355 HydrophobicContact CB-CE2 4Å; A280-Y355 HydrophobicContact CB-CG 3.38Å; P281-Y355 WeakPolarHBondContact O-CD1 3.21Å; P281-Y355 WeakPolarHBondContact O-CE1 3.46Å; L283-Y355 HydrophobicContact CD2-CD1 3.94Å; L283-Y355 HydrophobicContact CD2-CE1 4.33Å; L283-Y355 HydrophobicContact CG-CD1 4.24Å; L283-Y355 HydrophobicContact CG-CE1 4.11Å; S351-Y355 VanDerWaalsContact O-CD2 3.29Å; S351-Y355 WeakPolarHBondContact O-CD2 3.4Å; S351-Y355 PolarHBondContact O-N 3.49Å; S351-Y355 VanDerWaalsContact O-N 3.08Å; Q352-Y355 PolarHBondContact O-N 3.3Å; A353-Y355 VanDerWaalsContact C-N 3.27Å; A353-Y355 PolarHBondContact O-N 2.9Å; Y355-D357 VanDerWaalsContact C-N 3.28Å; Y355-D357 PolarHBondContact O-N 3.41Å; Y355-Y358 HydrophobicContact CD1-CD2 4.39Å; Y355-Y358 AromaticContact CD2-CD2 3.95Å; Y355-Y358 HydrophobicContact CD2-CD2 3.95Å; Y355-Y358 AromaticContact CD2-CE2 3.99Å; Y355-Y358 HydrophobicContact CD2-CE2 3.99Å; Y355-Y358 HydrophobicContact CE2-CD2 4.17Å; Y355-Y358 AromaticContact CE2-CE2 3.9Å; Y355-Y358 HydrophobicContact CE2-CE2 3.9Å; Y355-Y358 HydrophobicContact CG-CD2 4.07Å; Y355-Y358 WeakPolarHBondContact O-CB 3.09Å; Y355-Y358 PolarHBondContact O-N 3.27Å; Y355-V359 WeakPolarHBondContact O-CG2 3.42Å; Y355-V359 PolarHBondContact O-N 3.12Å; Y355-D439 WeakPolarHBondContact CE1-OD1 3.42Å; Y355-D439 WeakPolarHBondContact OH-CB 3.43Å; Y355-D439 PolarHBondContact OH-OD1 3.16Å; Y355-Q468 HydrophobicContact CE2-CB 3.75Å
356V95.6Very high90.1Very high0 Ų033.9 Ų33.90%018%0.183CC..Hα-helixtrans-59.9-42.3169.6173.50000110.5C320 N321 V324 Q352 A353 V359 A360C320-V356 HydrophobicContact CB-CG2 4.16Å; N321-V356 WeakPolarHBondContact OD1-CA 3.43Å; V324-V356 HydrophobicContact CG2-CG1 3.8Å; Q352-V356 WeakPolarHBondContact O-CG2 3.29Å; Q352-V356 PolarHBondContact O-N 3.32Å; Q352-V356 VanDerWaalsContact O-N 3.08Å; A353-V356 WeakPolarHBondContact O-CB 3.41Å; A353-V356 PolarHBondContact O-N 3.36Å; A353-V356 VanDerWaalsContact O-N 3.11Å; V356-V359 PolarHBondContact O-N 2.98Å; V356-A360 PolarHBondContact O-N 3.34Å
357D96Very high90.6Very high53 Ų5336 Ų3628%0.28320%0.197SC..Hα-helixtrans-71-31.1177.3-64-35.3000112.8S332 A353 R354 Y355 A360 S361S332-D357 VanDerWaalsContact CB-OD1 3.27Å; S332-D357 WeakPolarHBondContact CB-OD1 3.4Å; S332-D357 VanDerWaalsContact CB-OD2 3.32Å; S332-D357 WeakPolarHBondContact CB-OD2 3.32Å; S332-D357 PolarHBondContact N-OD1 2.84Å; S332-D357 VanDerWaalsContact OG-CG 3.27Å; S332-D357 PolarHBondContact OG-OD1 3.41Å; S332-D357 PolarHBondContact OG-OD2 3.48Å; A353-D357 PolarHBondContact O-N 2.75Å; R354-D357 PolarHBondContact O-N 3.06Å; Y355-D357 VanDerWaalsContact C-N 3.28Å; Y355-D357 PolarHBondContact O-N 3.41Å; D357-A360 PolarHBondContact O-N 3.04Å; D357-S361 WeakPolarHBondContact O-CB 3.49Å; D357-S361 PolarHBondContact O-N 3.47Å; D357-S361 PolarHBondContact O-OG 2.92Å
358Y95.3Very high90.5Very high22 Ų2236.6 Ų36.69%0.08619%0.189CC..Hα-helixtrans-61.6-49.2169.5-67.3-16.2000111.2L283 R354 Y355 A360 S361 V362 H470 F473L283-Y358 HydrophobicContact CD1-CD2 4.33Å; L283-Y358 HydrophobicContact CD2-CD2 4.46Å; R354-Y358 VanDerWaalsContact CD-OH 3.32Å; R354-Y358 WeakPolarHBondContact CD-OH 3.37Å; R354-Y358 HydrophobicContact CG-CD1 4.4Å; R354-Y358 HydrophobicContact CG-CE1 3.76Å; R354-Y358 HydrophobicContact CG-CE2 4.06Å; R354-Y358 WeakPolarHBondContact O-CD1 3.48Å; R354-Y358 VanDerWaalsContact O-CG 3.3Å; R354-Y358 PolarHBondContact O-N 2.99Å; Y355-Y358 HydrophobicContact CD1-CD2 4.39Å; Y355-Y358 AromaticContact CD2-CD2 3.95Å; Y355-Y358 HydrophobicContact CD2-CD2 3.95Å; Y355-Y358 AromaticContact CD2-CE2 3.99Å; Y355-Y358 HydrophobicContact CD2-CE2 3.99Å; Y355-Y358 HydrophobicContact CE2-CD2 4.17Å; Y355-Y358 AromaticContact CE2-CE2 3.9Å; Y355-Y358 HydrophobicContact CE2-CE2 3.9Å; Y355-Y358 HydrophobicContact CG-CD2 4.07Å; Y355-Y358 WeakPolarHBondContact O-CB 3.09Å; Y355-Y358 PolarHBondContact O-N 3.27Å; Y358-A360 VanDerWaalsContact C-N 3.34Å; Y358-A360 PolarHBondContact O-N 3.44Å; Y358-S361 WeakPolarHBondContact O-CB 3.31Å; Y358-S361 PolarHBondContact O-N 3.02Å; Y358-S361 VanDerWaalsContact O-N 3.08Å; Y358-V362 WeakPolarHBondContact O-CG2 3.3Å; Y358-V362 PolarHBondContact O-N 3.1Å; Y358-H470 HydrophobicContact CD2-CB 4.21Å; Y358-H470 HydrophobicContact CE2-CB 3.86Å; Y358-F473 HydrophobicContact CD1-CB 3.97Å; Y358-F473 AromaticContact CD1-CD1 3.43Å; Y358-F473 HydrophobicContact CD1-CD1 3.43Å; Y358-F473 VanDerWaalsContact CD1-CD1 3.43Å; Y358-F473 AromaticContact CD1-CD2 3.94Å; Y358-F473 HydrophobicContact CD1-CD2 3.94Å; Y358-F473 AromaticContact CD1-CE1 3.86Å; Y358-F473 HydrophobicContact CD1-CE1 3.86Å; Y358-F473 HydrophobicContact CD1-CE2 4.32Å; Y358-F473 AromaticContact CD1-CG 3.47Å; Y358-F473 HydrophobicContact CD1-CG 3.47Å; Y358-F473 VanDerWaalsContact CD1-CG 3.47Å; Y358-F473 HydrophobicContact CD1-CZ 4.27Å; Y358-F473 HydrophobicContact CD2-CD2 4.13Å; Y358-F473 HydrophobicContact CD2-CE2 4.42Å; Y358-F473 HydrophobicContact CD2-CG 4.42Å; Y358-F473 HydrophobicContact CE1-CB 3.46Å; Y358-F473 VanDerWaalsContact CE1-CB 3.46Å; Y358-F473 AromaticContact CE1-CD1 3.81Å; Y358-F473 HydrophobicContact CE1-CD1 3.81Å; Y358-F473 HydrophobicContact CE1-CD2 4.17Å; Y358-F473 AromaticContact CE1-CG 3.52Å; Y358-F473 HydrophobicContact CE1-CG 3.52Å; Y358-F473 HydrophobicContact CE2-CD2 4.36Å; Y358-F473 HydrophobicContact CE2-CG 4.47Å; Y358-F473 HydrophobicContact CG-CD1 4.08Å; Y358-F473 AromaticContact CG-CD2 3.9Å; Y358-F473 HydrophobicContact CG-CD2 3.9Å; Y358-F473 HydrophobicContact CG-CE1 4.18Å; Y358-F473 HydrophobicContact CG-CE2 4Å; Y358-F473 AromaticContact CG-CG 3.93Å; Y358-F473 HydrophobicContact CG-CG 3.93Å; Y358-F473 HydrophobicContact CG-CZ 4.13Å
359V94.1Very high90.2Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-58.7-46176.1171.50000110.9L283 T286 F287 N321 V324 Y355 V356 S361 V362 L363L283-V359 HydrophobicContact CD2-CG2 4.1Å; T286-V359 HydrophobicContact CG2-CG2 3.88Å; F287-V359 HydrophobicContact CE1-CG1 4.3Å; F287-V359 HydrophobicContact CE2-CG2 4.37Å; F287-V359 HydrophobicContact CZ-CB 4.49Å; F287-V359 HydrophobicContact CZ-CG1 4.2Å; F287-V359 HydrophobicContact CZ-CG2 4.23Å; N321-V359 VanDerWaalsContact OD1-CG2 3.3Å; N321-V359 WeakPolarHBondContact OD1-CG2 3.3Å; V324-V359 HydrophobicContact CG1-CG1 4.2Å; Y355-V359 WeakPolarHBondContact O-CG2 3.42Å; Y355-V359 PolarHBondContact O-N 3.12Å; V356-V359 PolarHBondContact O-N 2.98Å; V359-S361 PolarHBondContact O-N 3.35Å; V359-V362 PolarHBondContact O-N 3.21Å; V359-L363 HydrophobicContact CG1-CD1 3.78Å; V359-L363 HydrophobicContact CG1-CG 4.42Å; V359-L363 WeakPolarHBondContact O-CD1 3.5Å; V359-L363 VanDerWaalsContact O-CG 3.25Å; V359-L363 WeakPolarHBondContact O-CG 3.5Å; V359-L363 PolarHBondContact O-N 3.11Å
360A93.3Very high89.9Confident7 Ų739.9 Ų39.96%0.05820%0.203CC..Hα-helixtrans-57-38.8175.200000112.4V324 S330 V356 D357 Y358 L363 R364V324-A360 HydrophobicContact CG1-CB 3.77Å; S330-A360 WeakPolarHBondContact O-CB 3.35Å; V356-A360 PolarHBondContact O-N 3.34Å; D357-A360 PolarHBondContact O-N 3.04Å; Y358-A360 VanDerWaalsContact C-N 3.34Å; Y358-A360 PolarHBondContact O-N 3.44Å; A360-L363 PolarHBondContact O-N 3.16Å; A360-R364 WeakPolarHBondContact O-CB 3.44Å; A360-R364 PolarHBondContact O-N 2.96Å
361S91.4Very high89.3Confident29 Ų2939.9 Ų39.920%0.20320%0.201CC..Hα-helixtrans-72.4-41.3-179.6-60.80000112.7D357 Y358 V359 L363 R364 H365D357-S361 WeakPolarHBondContact O-CB 3.49Å; D357-S361 PolarHBondContact O-N 3.47Å; D357-S361 PolarHBondContact O-OG 2.92Å; Y358-S361 WeakPolarHBondContact O-CB 3.31Å; Y358-S361 PolarHBondContact O-N 3.02Å; Y358-S361 VanDerWaalsContact O-N 3.08Å; V359-S361 PolarHBondContact O-N 3.35Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3.24Å; S361-R364 PolarHBondContact O-N 3.15Å; S361-H365 PolarHBondContact O-N 3.38Å
362V90.3Very high88.3Confident6 Ų644.7 Ų44.74%0.03623%0.233CC..Hα-helixtrans-59.4-43.8171.4177.30000110.6F287 Y358 V359 R364 H365 P366 F473F287-V362 HydrophobicContact CE1-CG1 4.43Å; F287-V362 HydrophobicContact CE2-CB 4.31Å; F287-V362 HydrophobicContact CE2-CG1 4.15Å; F287-V362 HydrophobicContact CE2-CG2 4.15Å; F287-V362 HydrophobicContact CZ-CB 3.77Å; F287-V362 HydrophobicContact CZ-CG1 3.65Å; F287-V362 HydrophobicContact CZ-CG2 4.09Å; Y358-V362 WeakPolarHBondContact O-CG2 3.3Å; Y358-V362 PolarHBondContact O-N 3.1Å; V359-V362 PolarHBondContact O-N 3.21Å; V362-R364 VanDerWaalsContact C-N 3.34Å; V362-R364 PolarHBondContact O-N 2.75Å; V362-H365 CarbonylContact O-C 3.49Å; V362-P366 WeakPolarHBondContact O-CA 3.41Å; V362-P366 WeakPolarHBondContact O-CB 3.12Å; V362-P366 WeakPolarHBondContact O-CD 3.3Å; V362-F473 HydrophobicContact CG2-CE2 4.45Å; V362-F473 HydrophobicContact CG2-CZ 3.7Å
363L88.9Confident87.3Confident19 Ų1945.7 Ų45.710%0.09924%0.238CC..Hα-helixtrans-69.2-32.2-178.9-66.3165.9000112.9F287 V324 F325 V359 A360 S361 F526 P528F287-L363 HydrophobicContact CE1-CD2 4.5Å; V324-L363 HydrophobicContact CG1-CD1 4.08Å; V324-L363 WeakPolarHBondContact O-CD1 3.46Å; F325-L363 HydrophobicContact CD2-CD2 4.27Å; V359-L363 HydrophobicContact CG1-CD1 3.78Å; V359-L363 HydrophobicContact CG1-CG 4.42Å; V359-L363 WeakPolarHBondContact O-CD1 3.5Å; V359-L363 VanDerWaalsContact O-CG 3.25Å; V359-L363 WeakPolarHBondContact O-CG 3.5Å; V359-L363 PolarHBondContact O-N 3.11Å; A360-L363 PolarHBondContact O-N 3.16Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3.24Å; L363-F526 HydrophobicContact CD2-CE1 4.49Å; L363-P528 HydrophobicContact CD2-CB 4.22Å
364R87.5Confident86.7Confident135 Ų13550.4 Ų50.451%0.50926%0.255SS..Hα-helixtrans-78.3-35.7178.2-166.7-179.4-67.21093.4112.3A360 S361 V362A360-R364 WeakPolarHBondContact O-CB 3.44Å; A360-R364 PolarHBondContact O-N 2.96Å; S361-R364 PolarHBondContact O-N 3.15Å; V362-R364 VanDerWaalsContact C-N 3.34Å; V362-R364 PolarHBondContact O-N 2.75Å
365H85.7Confident86.4Confident75 Ų7548.8 Ų48.835%0.34725%0.249SC..  trans-136.566.9-176.5-54.7-65000111.6S361 V362 T367 F368 Y369S361-H365 PolarHBondContact O-N 3.38Å; V362-H365 CarbonylContact O-C 3.49Å; H365-T367 PolarHBondContact O-N 3.03Å; H365-F368 HydrophobicContact CB-CB 4.22Å; H365-F368 PolarHBondContact O-N 3.17Å; H365-Y369 HydrophobicContact CB-CD2 4.12Å; H365-Y369 PolarHBondContact O-N 2.92Å
366P81.9Confident86.3Confident72 Ų7250.6 Ų50.647%0.46826%0.259SS..THydrogen-bonded Turntrans-66.9-19.4-173.626.6-35.8000113.8V362 F368V362-P366 WeakPolarHBondContact O-CA 3.41Å; V362-P366 WeakPolarHBondContact O-CB 3.12Å; V362-P366 WeakPolarHBondContact O-CD 3.3Å; P366-F368 VanDerWaalsContact C-N 3.34Å
367T75.5Confident86.2Confident145 Ų14550.6 Ų50.689%0.8926%0.259SS*.THydrogen-bonded Turntrans-80.1-16.5175.752.50000113.2H365H365-T367 PolarHBondContact O-N 3.03Å
368F75.3Confident86.2Confident109 Ų10949.8 Ų49.848%0.47826%0.257SS..THydrogen-bonded Turntrans-112.9-37.7-174.8-168.6-93000112.3H365 P366 P370 L371H365-F368 HydrophobicContact CB-CB 4.22Å; H365-F368 PolarHBondContact O-N 3.17Å; P366-F368 VanDerWaalsContact C-N 3.34Å; F368-P370 CarbonylContact O-C 3.59Å; F368-L371 HydrophobicContact CD1-CD2 4.02Å; F368-L371 HydrophobicContact CD1-CG 4.46Å; F368-L371 HydrophobicContact CD2-CD2 4.33Å; F368-L371 HydrophobicContact CE1-CD1 4.18Å; F368-L371 HydrophobicContact CE1-CD2 3.72Å; F368-L371 HydrophobicContact CE1-CG 4.11Å; F368-L371 HydrophobicContact CE2-CD2 4.04Å; F368-L371 HydrophobicContact CG-CD2 4.34Å; F368-L371 HydrophobicContact CZ-CD1 4.44Å; F368-L371 HydrophobicContact CZ-CD2 3.74Å; F368-L371 WeakPolarHBondContact O-CD2 3.29Å; F368-L371 PolarHBondContact O-N 2.86Å
369Y83.1Confident86.2Confident67 Ų6754 Ų5426%0.26327%0.273SS..SBendtrans-111.4142.9-177.6-70.8-64.5000113.3H365 L371 F473H365-Y369 HydrophobicContact CB-CD2 4.12Å; H365-Y369 PolarHBondContact O-N 2.92Å; Y369-L371 HydrophobicContact CD1-CG 4.46Å; Y369-L371 HydrophobicContact CE1-CG 4.42Å; Y369-F473 AromaticContact CD1-CD1 3.79Å; Y369-F473 HydrophobicContact CD1-CD1 3.79Å; Y369-F473 AromaticContact CD1-CE1 3.61Å; Y369-F473 HydrophobicContact CD1-CE1 3.61Å; Y369-F473 HydrophobicContact CD1-CZ 4.2Å; Y369-F473 HydrophobicContact CE1-CD1 4.03Å; Y369-F473 HydrophobicContact CE1-CE1 4.22Å; Y369-F473 HydrophobicContact CG-CD1 4.42Å; Y369-F473 AromaticContact CG-CE1 3.8Å; Y369-F473 HydrophobicContact CG-CE1 3.8Å; Y369-F473 HydrophobicContact CG-CZ 4.29Å
370P83.9Confident86.4Confident29 Ų2954 Ų5419%0.18827%0.273CS..SBendcis-68.6147.9-11.231.3-37.9000111.5F368 F473 L522F368-P370 CarbonylContact O-C 3.59Å; P370-F473 HydrophobicContact CB-CE2 3.97Å; P370-L522 VanDerWaalsContact CD-CD1 3.49Å; P370-L522 HydrophobicContact CG-CD1 3.65Å; P370-L522 HydrophobicContact CG-CG 4.17Å
371L81.9Confident86.6Confident29 Ų2954.7 Ų54.715%0.15228%0.277CS..  trans-64.6141.8171.4-67.3168.6000110F368 Y369 N373 G472F368-L371 HydrophobicContact CD1-CD2 4.02Å; F368-L371 HydrophobicContact CD1-CG 4.46Å; F368-L371 HydrophobicContact CD2-CD2 4.33Å; F368-L371 HydrophobicContact CE1-CD1 4.18Å; F368-L371 HydrophobicContact CE1-CD2 3.72Å; F368-L371 HydrophobicContact CE1-CG 4.11Å; F368-L371 HydrophobicContact CE2-CD2 4.04Å; F368-L371 HydrophobicContact CG-CD2 4.34Å; F368-L371 HydrophobicContact CZ-CD1 4.44Å; F368-L371 HydrophobicContact CZ-CD2 3.74Å; F368-L371 WeakPolarHBondContact O-CD2 3.29Å; F368-L371 PolarHBondContact O-N 2.86Å; Y369-L371 HydrophobicContact CD1-CG 4.46Å; Y369-L371 HydrophobicContact CE1-CG 4.42Å; L371-N373 HydrophobicContact CB-CB 4.45Å; L371-N373 WeakPolarHBondContact CB-ND2 3.5Å; L371-N373 WeakPolarHBondContact CD1-ND2 3.39Å; L371-N373 PolarHBondContact O-N 3.32Å; L371-G472 WeakPolarHBondContact CB-O 3.47Å; L371-G472 PolarHBondContact N-O 3.23Å; L371-G472 WeakPolarHBondContact O-CA 3.18Å
372P74.7Confident86.9Confident102 Ų10253.3 Ų53.366%0.66227%0.268SS*.  trans-77.849.317734.7-36.7000111.6
373N71.9Confident87.2Confident22 Ų2255.6 Ų55.612%0.11828%0.284CS..  trans-91.1126.9-173.7-67.4-10.3000111L371 V375 L474L371-N373 HydrophobicContact CB-CB 4.45Å; L371-N373 WeakPolarHBondContact CB-ND2 3.5Å; L371-N373 WeakPolarHBondContact CD1-ND2 3.39Å; L371-N373 PolarHBondContact O-N 3.32Å; N373-V375 HydrophobicContact CB-CG2 4.25Å; N373-L474 PolarHBondContact ND2-O 3.01Å
374R82.3Confident87.5Confident102 Ų10256.5 Ų56.539%0.38529%0.291SS..  trans-87.5117.3159.2-70.5-172.8174.6-74.6-11.7108.4D437 N510R374-D437 HydrophobicContact CG-CB 4.12Å; R374-D437 IonicContact CZ-OD2 3.94Å; R374-D437 VanDerWaalsContact CZ-OD2 3.29Å; R374-D437 IonicContact NH1-OD2 3.14Å; R374-D437 PolarHBondContact NH1-OD2 3.13Å; R374-D437 IonicContact NH2-OD2 3.71Å; R374-D437 PolarHBondContact NH2-OD2 3.45Å; R374-N510 PolarHBondContact O-N 3.44Å
375V89.4Confident87.9Confident2 Ų250.1 Ų50.11%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-104.7132.1-176.4176.60000109.9N373 K435 F436 A471 L474 Y507N373-V375 HydrophobicContact CB-CG2 4.25Å; V375-K435 WeakPolarHBondContact O-CA 3.47Å; V375-F436 HydrophobicContact CB-CD1 4.49Å; V375-F436 HydrophobicContact CB-CE1 4.03Å; V375-F436 HydrophobicContact CB-CZ 4.21Å; V375-F436 HydrophobicContact CG1-CE1 3.86Å; V375-F436 HydrophobicContact CG1-CZ 4.15Å; V375-F436 PolarHBondContact N-O 3.07Å; V375-F436 PolarHBondContact O-N 2.9Å; V375-A471 HydrophobicContact CB-CB 4.31Å; V375-A471 HydrophobicContact CG2-CB 3.91Å; V375-L474 HydrophobicContact CB-CD1 4.42Å; V375-L474 HydrophobicContact CG1-CD1 3.86Å; V375-L474 HydrophobicContact CG2-CB 4.43Å; V375-L474 HydrophobicContact CG2-CD1 4.13Å; V375-Y507 HydrophobicContact CG1-CD2 3.94Å; V375-Y507 HydrophobicContact CG1-CG 4.08Å
376L93.6Very high88.4Confident38 Ų3846.5 Ų46.520%0.19925%0.25CS..EExtended strand (participates in β ladder)trans-98.6104.6167.4176.565.4000108.9L434 K435 Y507 S508L376-L434 WeakPolarHBondContact CA-O 3.44Å; L376-K435 HydrophobicContact CD1-CG 3.76Å; L376-Y507 CarbonylContact O-C 3.4Å; L376-Y507 WeakPolarHBondContact O-CA 3.25Å; L376-S508 PolarHBondContact N-O 2.79Å; L376-S508 PolarHBondContact O-N 3.13Å
377A94.7Very high89Confident0 Ų044.5 Ų44.50%024%0.235CC..EExtended strand (participates in β ladder)trans-82.6130.6169.100000110.2F432 L434 F436 F442 L505A377-F432 HydrophobicContact CB-CE2 3.74Å; A377-F432 HydrophobicContact CB-CZ 4.45Å; A377-L434 PolarHBondContact N-O 3.28Å; A377-L434 PolarHBondContact O-N 2.99Å; A377-F436 HydrophobicContact CB-CE1 3.98Å; A377-F442 HydrophobicContact CB-CZ 4.42Å; A377-L505 HydrophobicContact CB-CD1 4.16Å
378S94.8Very high89.9Confident36 Ų3638.2 Ų38.225%0.25220%0.196SC..EExtended strand (participates in β ladder)trans-115.8-28.7-168.258.70000115.2F432 A506S378-F432 CarbonylContact C-O 3.34Å; S378-F432 WeakPolarHBondContact CA-O 3.48Å; S378-F432 PolarHBondContact O-N 3.12Å; S378-A506 PolarHBondContact N-O 3.47Å; S378-A506 WeakPolarHBondContact OG-CB 3.44Å; S378-A506 PolarHBondContact OG-O 3.34Å
379R96.6Very high90.7Very high110 Ų11034.4 Ų34.442%0.41518%0.18SC..EExtended strand (participates in β ladder)trans-168.9156.2179.353.1-177.8-178.3109.6-1.1112.5S381 T429 I430 A506R379-S381 PolarHBondContact NH1-OG 3.4Å; R379-T429 HydrophobicContact CB-CG2 3.89Å; R379-T429 HydrophobicContact CG-CG2 4.27Å; R379-I430 VanDerWaalsContact CA-O 3.25Å; R379-I430 WeakPolarHBondContact CA-O 3.06Å; R379-I430 WeakPolarHBondContact CB-O 3.33Å; R379-A506 HydrophobicContact CG-CB 3.55Å; R379-A506 PolarHBondContact O-N 3.49Å
380I97.6Very high90.8Very high0 Ų036.5 Ų36.50%019%0.188CC..EExtended strand (participates in β ladder)trans-112.5128.8165.3-73.8165.8000108.8V382 V399 T429 I430 F432 F442 V444 F467 V503 R504 L505I380-V382 HydrophobicContact CG2-CG2 3.92Å; I380-V399 HydrophobicContact CD1-CG2 3.95Å; I380-T429 CarbonylContact O-C 3.54Å; I380-T429 VanDerWaalsContact O-CA 3.31Å; I380-T429 WeakPolarHBondContact O-CA 3.45Å; I380-I430 PolarHBondContact N-O 3.13Å; I380-I430 PolarHBondContact O-N 3.3Å; I380-F432 HydrophobicContact CB-CE1 4.16Å; I380-F432 HydrophobicContact CD1-CE1 3.86Å; I380-F432 HydrophobicContact CD1-CZ 4Å; I380-F432 HydrophobicContact CG1-CE1 3.72Å; I380-F432 HydrophobicContact CG1-CZ 3.88Å; I380-F442 HydrophobicContact CD1-CB 4.42Å; I380-F442 HydrophobicContact CD1-CD1 3.73Å; I380-F442 HydrophobicContact CD1-CE1 4.44Å; I380-F442 HydrophobicContact CD1-CG 4.4Å; I380-V444 HydrophobicContact CD1-CG2 4.26Å; I380-F467 HydrophobicContact CD1-CE1 4.29Å; I380-F467 HydrophobicContact CD1-CZ 4.07Å; I380-V503 HydrophobicContact CG2-CG1 3.94Å; I380-R504 CarbonylContact C-O 3.47Å; I380-R504 WeakPolarHBondContact CA-O 3.39Å; I380-L505 HydrophobicContact CD1-CD1 4.33Å; I380-L505 HydrophobicContact CG1-CD1 3.71Å
381S97.5Very high90.9Very high21 Ų2141.3 Ų41.315%0.14721%0.209CC..EExtended strand (participates in β ladder)trans-113.7135.3174-42.60000109.6R379 F428 T429 V503 R504R379-S381 PolarHBondContact NH1-OG 3.4Å; S381-F428 CarbonylContact C-O 3.59Å; S381-F428 WeakPolarHBondContact CA-O 3.49Å; S381-T429 PolarHBondContact OG-OG1 2.94Å; S381-V503 CarbonylContact O-C 3.58Å; S381-V503 WeakPolarHBondContact O-CA 3.43Å; S381-R504 PolarHBondContact N-O 2.9Å; S381-R504 PolarHBondContact O-N 3.25Å
382V97.8Very high91.4Very high1 Ų144 Ų441%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-128.4131.3-176.3-178.40000109.3I380 S427 F428 F465 F501 V503I380-V382 HydrophobicContact CG2-CG2 3.92Å; V382-S427 CarbonylContact O-C 3.59Å; V382-S427 WeakPolarHBondContact O-CA 3.29Å; V382-S427 VanDerWaalsContact O-CB 3.23Å; V382-S427 WeakPolarHBondContact O-CB 3.37Å; V382-F428 HydrophobicContact CB-CD1 4.07Å; V382-F428 HydrophobicContact CB-CD2 4.47Å; V382-F428 HydrophobicContact CB-CE1 3.51Å; V382-F428 HydrophobicContact CB-CE2 3.96Å; V382-F428 HydrophobicContact CB-CZ 3.46Å; V382-F428 VanDerWaalsContact CB-CZ 3.46Å; V382-F428 HydrophobicContact CG1-CE1 3.74Å; V382-F428 HydrophobicContact CG1-CZ 3.91Å; V382-F428 HydrophobicContact CG2-CE1 4.08Å; V382-F428 HydrophobicContact CG2-CE2 3.71Å; V382-F428 HydrophobicContact CG2-CZ 3.46Å; V382-F428 VanDerWaalsContact CG2-CZ 3.46Å; V382-F428 PolarHBondContact N-O 3.08Å; V382-F428 PolarHBondContact O-N 3.27Å; V382-F465 HydrophobicContact CG2-CE1 4.37Å; V382-F465 HydrophobicContact CG2-CZ 3.83Å; V382-F501 HydrophobicContact CG1-CE1 4.34Å; V382-F501 HydrophobicContact CG1-CE2 3.6Å; V382-F501 HydrophobicContact CG1-CZ 3.43Å; V382-F501 VanDerWaalsContact CG1-CZ 3.43Å; V382-V503 HydrophobicContact CG1-CG2 4.45Å; V382-V503 HydrophobicContact CG2-CG1 4.48Å; V382-V503 HydrophobicContact CG2-CG2 4.29Å
383S95.9Very high92.2Very high53 Ų5341.5 Ų41.537%0.37120%0.198SC..EExtended strand (participates in β ladder)trans-149.7136.8178-175.80000110.9A426 V502S383-A426 PolarHBondContact OG-O 3.43Å; S383-V502 PolarHBondContact N-O 3.34Å; S383-V502 PolarHBondContact O-N 2.83Å
384P95.7Very high93.2Very high38 Ų3840.4 Ų40.425%0.24719%0.193CC..SBendcis-65.5169.7-13.6-24.633.9000114.3A426 P498 P500 F501P384-A426 VanDerWaalsContact CA-O 3.27Å; P384-A426 WeakPolarHBondContact CA-O 3.4Å; P384-P498 HydrophobicContact CB-CB 3.95Å; P384-P498 HydrophobicContact CB-CG 4.24Å; P384-P498 HydrophobicContact CG-CB 4.15Å; P384-P500 WeakPolarHBondContact CD-O 3.49Å; P384-F501 WeakPolarHBondContact O-CE2 3.33Å
385V96.6Very high93.9Very high1 Ų135.6 Ų35.61%0.00617%0.174CC..PPolyproline II helixtrans-65.5125.9174.7-175.70000109.9V421 F428 P498V385-V421 HydrophobicContact CB-CG1 4.32Å; V385-V421 HydrophobicContact CG1-CB 4.26Å; V385-V421 HydrophobicContact CG1-CG1 3.68Å; V385-V421 HydrophobicContact CG2-CG1 3.6Å; V385-F428 HydrophobicContact CG1-CD1 4.39Å; V385-F428 HydrophobicContact CG2-CD1 4.37Å; V385-P498 WeakPolarHBondContact O-CG 3.32Å
386P95.9Very high94.2Very high0 Ų037.5 Ų37.50%018%0.181CC..PPolyproline II helixtrans-78.8153177.335.1-34.6000111.5F388 G394 F428 M464 K496 Y497 F501P386-F388 HydrophobicContact CB-CD2 3.81Å; P386-F388 HydrophobicContact CB-CE2 3.9Å; P386-F388 HydrophobicContact CG-CD2 4.17Å; P386-F388 HydrophobicContact CG-CE2 4.43Å; P386-F388 PolarHBondContact O-N 2.91Å; P386-G394 CarbonylContact O-C 3.49Å; P386-F428 HydrophobicContact CG-CE1 4.36Å; P386-M464 HydrophobicContact CG-SD 3.88Å; P386-K496 WeakPolarHBondContact CA-O 3.38Å; P386-K496 WeakPolarHBondContact CB-O 3.28Å; P386-Y497 HydrophobicContact CB-CD1 4.34Å; P386-F501 HydrophobicContact CB-CE2 3.97Å; P386-F501 HydrophobicContact CB-CZ 4.48Å; P386-F501 HydrophobicContact CG-CE2 4.19Å; P386-F501 HydrophobicContact CG-CZ 4.46Å
387I94.8Very high94.4Very high30 Ų3036.1 Ų36.115%0.15418%0.175CC..  trans-103.668.4-168.253.3172.4000112.7R392 V423 W495 K496I387-R392 HydrophobicContact CB-CB 4.27Å; I387-R392 WeakPolarHBondContact CB-O 3.27Å; I387-R392 HydrophobicContact CD1-CB 4.3Å; I387-R392 WeakPolarHBondContact CG2-O 3.36Å; I387-V423 HydrophobicContact CG2-CG2 3.42Å; I387-V423 VanDerWaalsContact CG2-CG2 3.42Å; I387-W495 HydrophobicContact CD1-CE3 3.83Å; I387-W495 HydrophobicContact CD1-CZ3 3.8Å; I387-W495 HydrophobicContact CG1-CE3 4.36Å; I387-W495 HydrophobicContact CG1-CZ3 4.07Å; I387-K496 WeakPolarHBondContact CG1-O 3.41Å; I387-K496 PolarHBondContact N-O 3.13Å
388F94.2Very high94.5Very high13 Ų1336.2 Ų36.26%0.05718%0.175CC..  trans-91.5-20.1-172.2-90.2-101000115.5P386 G394 C395 H446 I462 M464 A492 K496 Y497P386-F388 HydrophobicContact CB-CD2 3.81Å; P386-F388 HydrophobicContact CB-CE2 3.9Å; P386-F388 HydrophobicContact CG-CD2 4.17Å; P386-F388 HydrophobicContact CG-CE2 4.43Å; P386-F388 PolarHBondContact O-N 2.91Å; F388-G394 PolarHBondContact N-O 2.73Å; F388-C395 HydrophobicContact CB-CB 4.06Å; F388-H446 HydrophobicContact CB-CB 3.84Å; F388-H446 HydrophobicContact CD1-CB 4.25Å; F388-H446 HydrophobicContact CG-CB 4.24Å; F388-H446 PolarHBondContact O-CD2 2.78Å; F388-I462 HydrophobicContact CD1-CG2 3.88Å; F388-I462 HydrophobicContact CE1-CG2 3.96Å; F388-M464 HydrophobicContact CB-SD 4.38Å; F388-M464 HydrophobicContact CD1-CG 3.78Å; F388-M464 HydrophobicContact CD1-SD 4.44Å; F388-M464 HydrophobicContact CD2-CB 4.49Å; F388-M464 HydrophobicContact CD2-CG 3.83Å; F388-M464 HydrophobicContact CD2-SD 3.66Å; F388-M464 HydrophobicContact CE1-CB 4.13Å; F388-M464 HydrophobicContact CE1-CG 3.7Å; F388-M464 HydrophobicContact CE2-CB 3.93Å; F388-M464 HydrophobicContact CE2-CG 3.75Å; F388-M464 HydrophobicContact CE2-SD 4.01Å; F388-M464 HydrophobicContact CG-CG 3.84Å; F388-M464 HydrophobicContact CG-SD 3.89Å; F388-M464 HydrophobicContact CZ-CB 3.73Å; F388-M464 HydrophobicContact CZ-CG 3.68Å; F388-A492 HydrophobicContact CE1-CB 3.89Å; F388-A492 HydrophobicContact CZ-CB 3.7Å; F388-K496 HydrophobicContact CD1-CD 4.45Å; F388-K496 HydrophobicContact CD2-CB 4.47Å; F388-K496 HydrophobicContact CE1-CD 4.16Å; F388-K496 HydrophobicContact CE2-CB 4.03Å; F388-K496 HydrophobicContact CE2-CD 4.37Å; F388-K496 HydrophobicContact CZ-CB 4.41Å; F388-K496 HydrophobicContact CZ-CD 4.11Å; F388-Y497 AromaticContact CE2-CE1 3.95Å; F388-Y497 HydrophobicContact CE2-CE1 3.95Å; F388-Y497 AromaticContact CE2-CZ 3.95Å; F388-Y497 HydrophobicContact CZ-CE1 4.2Å; F388-Y497 AromaticContact CZ-CZ 3.8Å; F388-Y497 WeakPolarHBondContact CZ-OH 3.27Å
389N91.3Very high94.6Very high28 Ų2834.5 Ų34.515%0.1516%0.163CC..SBendtrans-72.6167.4177.277.4-20.2000111.5M391 R392 N393 G394 F420N389-M391 VanDerWaalsContact C-N 3.34Å; N389-M391 PolarHBondContact O-N 3.11Å; N389-R392 PolarHBondContact O-N 3.04Å; N389-R392 WeakPolarHBondContact OD1-CA 3.33Å; N389-R392 PolarHBondContact OD1-N 3.4Å; N389-N393 PolarHBondContact ND2-OD1 3.08Å; N389-N393 PolarHBondContact OD1-N 3.08Å; N389-N393 PolarHBondContact OD1-OD1 3.06Å; N389-G394 PolarHBondContact N-O 3Å; N389-G394 PolarHBondContact OD1-N 2.94Å; N389-G394 PolarHBondContact OD1-O 3.34Å; N389-F420 HydrophobicContact CB-CE2 4.36Å; N389-F420 WeakPolarHBondContact ND2-CE2 3.27Å
390R86.5Confident94.6Very high112 Ų11230.9 Ų30.942%0.42315%0.151SC..THydrogen-bonded Turntrans-59.7-43.3-175.9-67.4-175.3-174-178.80.1112.8R392R390-R392 PolarHBondContact O-N 3.01Å
391M85.8Confident94.5Very high130 Ų13030.9 Ų30.964%0.6415%0.151SC*.THydrogen-bonded Turntrans-73.6-3.6179.4-62.4178.973.300113.5N389 N393N389-M391 VanDerWaalsContact C-N 3.34Å; N389-M391 PolarHBondContact O-N 3.11Å; M391-N393 WeakPolarHBondContact CB-OD1 3.42Å; M391-N393 PolarHBondContact O-N 3.29Å
392R91Very high94.4Very high86 Ų8631.9 Ų31.933%0.32515%0.153SC..SBendtrans5534179.2-57.3-179.9179.4-140.7-9113.9I387 N389 R390 W495 R872I387-R392 HydrophobicContact CB-CB 4.27Å; I387-R392 WeakPolarHBondContact CB-O 3.27Å; I387-R392 HydrophobicContact CD1-CB 4.3Å; I387-R392 WeakPolarHBondContact CG2-O 3.36Å; N389-R392 PolarHBondContact O-N 3.04Å; N389-R392 WeakPolarHBondContact OD1-CA 3.33Å; N389-R392 PolarHBondContact OD1-N 3.4Å; R390-R392 PolarHBondContact O-N 3.01Å; R392-W495 HydrophobicContact CG-CH2 4.26Å; R392-W495 HydrophobicContact CG-CZ3 4.02Å; R392-W495 VanDerWaalsContact NH1-CE3 3.25Å; R392-R872 VanDerWaalsContact CZ-CZ 3.41Å
393N92.2Very high94.1Very high48 Ų4833.3 Ų33.326%0.25716%0.163SC..SBendtrans-117.414.4178.271.1-38.1000112.8N389 M391 D422 V423N389-N393 PolarHBondContact ND2-OD1 3.08Å; N389-N393 PolarHBondContact OD1-N 3.08Å; N389-N393 PolarHBondContact OD1-OD1 3.06Å; M391-N393 WeakPolarHBondContact CB-OD1 3.42Å; M391-N393 PolarHBondContact O-N 3.29Å; N393-D422 PolarHBondContact ND2-OD2 3.23Å; N393-D422 VanDerWaalsContact ND2-OD2 3.16Å; N393-D422 WeakPolarHBondContact O-CA 3.45Å; N393-V423 VanDerWaalsContact C-CG2 3.45Å; N393-V423 WeakPolarHBondContact O-CG2 3.32Å; N393-V423 PolarHBondContact O-N 3.49Å
394G93.8Very high93.5Very high0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans160.7-160.8172.800000114P386 F388 N389 V421P386-G394 CarbonylContact O-C 3.49Å; F388-G394 PolarHBondContact N-O 2.73Å; N389-G394 PolarHBondContact N-O 3Å; N389-G394 PolarHBondContact OD1-N 2.94Å; N389-G394 PolarHBondContact OD1-O 3.34Å; G394-V421 WeakPolarHBondContact CA-O 3.39Å
395C95.9Very high93Very high0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-146.1169.2177.570.90000111.3F388 F420 V421 M464F388-C395 HydrophobicContact CB-CB 4.06Å; C395-F420 WeakPolarHBondContact O-CD2 3.35Å; C395-V421 PolarHBondContact N-O 3.24Å; C395-V421 PolarHBondContact O-N 3.47Å; C395-M464 HydrophobicContact CB-SD 4.08Å
396R96.4Very high92.6Very high43 Ų4342.8 Ų42.816%0.16221%0.213CC..  trans-123.182.7174.5-173.5166.5-88.7-121.5-8.1106.7Y415 D416 I418 H446 A447R396-Y415 PolarHBondContact NH1-O 3.49Å; R396-D416 PolarHBondContact NH1-O 2.88Å; R396-D416 VanDerWaalsContact NH1-O 3.11Å; R396-I418 WeakPolarHBondContact CD-O 3.48Å; R396-I418 HydrophobicContact CG-CB 3.73Å; R396-I418 HydrophobicContact CG-CG2 3.48Å; R396-I418 VanDerWaalsContact CG-CG2 3.48Å; R396-I418 WeakPolarHBondContact CG-O 3.49Å; R396-I418 PolarHBondContact NE-O 3.28Å; R396-I418 PolarHBondContact NH1-O 3.32Å; R396-I418 PolarHBondContact NH2-O 2.96Å; R396-H446 PolarHBondContact N-ND1 3.13Å; R396-H446 WeakPolarHBondContact O-CA 3.45Å; R396-A447 HydrophobicContact CG-CB 4.45Å; R396-A447 PolarHBondContact O-N 2.99Å
397P96.7Very high92.5Very high9 Ų947.9 Ų47.96%0.05824%0.235CC..EExtended strand (participates in β ladder)trans-89.5145.6-160.635.8-36.1000112.6I418 V421 F428 I430 S445 M464P397-I418 WeakPolarHBondContact O-CG2 3.43Å; P397-V421 HydrophobicContact CG-CG2 3.97Å; P397-F428 HydrophobicContact CB-CD2 4.19Å; P397-F428 HydrophobicContact CB-CE1 4.47Å; P397-F428 HydrophobicContact CB-CE2 3.6Å; P397-F428 HydrophobicContact CB-CZ 3.75Å; P397-F428 HydrophobicContact CG-CD1 4.4Å; P397-F428 HydrophobicContact CG-CD2 3.6Å; P397-F428 HydrophobicContact CG-CE1 4.35Å; P397-F428 HydrophobicContact CG-CE2 3.56Å; P397-F428 HydrophobicContact CG-CG 4.05Å; P397-F428 HydrophobicContact CG-CZ 3.94Å; P397-I430 HydrophobicContact CB-CD1 4.12Å; P397-S445 CarbonylContact C-O 3.47Å; P397-S445 WeakPolarHBondContact CA-O 3.16Å; P397-M464 HydrophobicContact CB-CE 3.79Å
398F96.7Very high92.5Very high1 Ų149.6 Ų49.60%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-144.2162.1167.869.8-85.4000109.8E400 C412 I418 V444 S445 A447 T461F398-E400 HydrophobicContact CD2-CG 4.1Å; F398-E400 HydrophobicContact CE2-CG 3.79Å; F398-C412 HydrophobicContact CD2-CB 3.52Å; F398-C412 HydrophobicContact CE2-CB 3.78Å; F398-C412 HydrophobicContact CG-CB 4.07Å; F398-I418 HydrophobicContact CD1-CD1 4.33Å; F398-V444 WeakPolarHBondContact O-CA 3.45Å; F398-S445 WeakPolarHBondContact CD1-O 3.34Å; F398-S445 VanDerWaalsContact CZ-CB 3.47Å; F398-S445 PolarHBondContact N-O 3.07Å; F398-S445 PolarHBondContact O-N 3.19Å; F398-A447 HydrophobicContact CD1-CB 3.96Å; F398-A447 HydrophobicContact CE1-CB 3.93Å; F398-T461 HydrophobicContact CE1-CG2 4.02Å; F398-T461 HydrophobicContact CZ-CG2 3.51Å
399V97.1Very high92.6Very high0 Ų050.8 Ų50.80%025%0.251CS..EExtended strand (participates in β ladder)trans-120.1141.9178.765.20000111.5I380 I401 T411 I430 F432 V443 V444I380-V399 HydrophobicContact CD1-CG2 3.95Å; V399-I401 HydrophobicContact CG2-CG1 4.04Å; V399-T411 HydrophobicContact CG1-CG2 3.56Å; V399-T411 PolarHBondContact N-OG1 3.28Å; V399-T411 PolarHBondContact O-N 3.01Å; V399-T411 PolarHBondContact O-OG1 2.67Å; V399-I430 HydrophobicContact CB-CD1 4.43Å; V399-I430 HydrophobicContact CG1-CG2 3.99Å; V399-F432 HydrophobicContact CG1-CD1 3.81Å; V399-F432 HydrophobicContact CG1-CE1 4.05Å; V399-V443 WeakPolarHBondContact CA-O 3.33Å; V399-V444 HydrophobicContact CB-CG2 4.38Å; V399-V444 HydrophobicContact CG2-CG2 4.08Å
400E96.7Very high92.8Very high35 Ų3551.8 Ų51.816%0.16426%0.26CS..EExtended strand (participates in β ladder)trans-120.4137.4166.2-56.4-16711500109.1F398 F402 K407 L409 S410 V443F398-E400 HydrophobicContact CD2-CG 4.1Å; F398-E400 HydrophobicContact CE2-CG 3.79Å; E400-F402 HydrophobicContact CB-CD2 4.45Å; E400-F402 HydrophobicContact CB-CE2 3.53Å; E400-F402 HydrophobicContact CB-CZ 3.96Å; E400-K407 IonicContact OE1-NZ 2.82Å; E400-K407 PolarHBondContact OE1-NZ 2.77Å; E400-K407 IonicContact OE2-NZ 2.65Å; E400-L409 WeakPolarHBondContact CA-O 3.35Å; E400-S410 PolarHBondContact OE1-OG 2.99Å; E400-V443 PolarHBondContact N-O 2.8Å; E400-V443 PolarHBondContact O-N 3.16Å
401I97Very high93.2Very high0 Ų047.8 Ų47.80%025%0.248CC..EExtended strand (participates in β ladder)trans-122.7133-176.3-46.4171.5000108.8V399 L408 L409 F432 L434 A440 T441 F442V399-I401 HydrophobicContact CG2-CG1 4.04Å; I401-L408 PolarHBondContact O-N 2.8Å; I401-L409 HydrophobicContact CB-CB 4.43Å; I401-L409 HydrophobicContact CD1-CB 4.34Å; I401-L409 HydrophobicContact CD1-CD2 4.1Å; I401-L409 PolarHBondContact N-O 2.84Å; I401-L409 PolarHBondContact O-N 2.85Å; I401-F432 HydrophobicContact CD1-CD2 3.69Å; I401-F432 HydrophobicContact CD1-CE2 3.52Å; I401-F432 HydrophobicContact CD1-CG 4.27Å; I401-F432 HydrophobicContact CD1-CZ 3.99Å; I401-L434 HydrophobicContact CB-CD2 3.97Å; I401-L434 HydrophobicContact CD1-CB 4.38Å; I401-L434 HydrophobicContact CD1-CD2 3.74Å; I401-L434 HydrophobicContact CG1-CD2 4.45Å; I401-L434 HydrophobicContact CG2-CD2 3.45Å; I401-L434 VanDerWaalsContact CG2-CD2 3.45Å; I401-A440 HydrophobicContact CG2-CB 4.4Å; I401-T441 CarbonylContact C-O 3.55Å; I401-T441 VanDerWaalsContact CA-O 3.27Å; I401-T441 WeakPolarHBondContact CA-O 3.36Å; I401-F442 HydrophobicContact CD1-CD1 3.86Å; I401-F442 HydrophobicContact CD1-CE1 3.6Å; I401-F442 HydrophobicContact CG1-CD1 3.73Å; I401-F442 HydrophobicContact CG1-CE1 3.96Å; I401-F442 HydrophobicContact CG2-CD1 4.11Å; I401-F442 HydrophobicContact CG2-CE1 4.02Å; I401-F442 HydrophobicContact CG2-CE2 4.5Å; I401-F442 HydrophobicContact CG2-CG 4.42Å; I401-F442 HydrophobicContact CG2-CZ 4.22Å
402F94.9Very high93.5Very high41 Ų4143.9 Ų43.918%0.1823%0.233CC..EExtended strand (participates in β ladder)trans-129151.2-175.2-56.5-103000111.8E400 Q406 K407 A440 T441 V443E400-F402 HydrophobicContact CB-CD2 4.45Å; E400-F402 HydrophobicContact CB-CE2 3.53Å; E400-F402 HydrophobicContact CB-CZ 3.96Å; F402-Q406 CarbonylContact C-O 3.58Å; F402-Q406 WeakPolarHBondContact CA-O 3.09Å; F402-K407 HydrophobicContact CD1-CB 3.78Å; F402-K407 HydrophobicContact CD1-CG 4.13Å; F402-K407 HydrophobicContact CE1-CB 3.7Å; F402-K407 HydrophobicContact CE1-CD 4.29Å; F402-K407 HydrophobicContact CE1-CG 3.83Å; F402-K407 HydrophobicContact CZ-CD 4.38Å; F402-K407 HydrophobicContact CZ-CG 4.18Å; F402-A440 CarbonylContact O-C 3.53Å; F402-A440 WeakPolarHBondContact O-CA 3.49Å; F402-T441 PolarHBondContact N-O 3.31Å; F402-T441 PolarHBondContact O-N 3.2Å; F402-V443 HydrophobicContact CD2-CG2 4.05Å; F402-V443 HydrophobicContact CE2-CB 4.34Å; F402-V443 HydrophobicContact CE2-CG2 3.86Å
403S90.5Very high93.3Very high32 Ų3245 Ų4522%0.22424%0.242CC..EExtended strand (participates in β ladder)trans-117.8112.3161.4-168.60000108.3D405 Q406 D439S403-D405 PolarHBondContact O-N 2.82Å; S403-Q406 PolarHBondContact N-O 2.78Å; S403-Q406 WeakPolarHBondContact O-CB 3.37Å; S403-Q406 PolarHBondContact O-N 3.01Å; S403-D439 PolarHBondContact OG-O 2.84Å
404G84.7Confident93.1Very high42 Ų4248.5 Ų48.543%0.43326%0.257SS..THydrogen-bonded Turntrans55.3-125.2-163.600000110.9
405D84Confident92.7Very high112 Ų11251.5 Ų51.560%0.59927%0.269SS*.THydrogen-bonded Turntrans-86-13.6177.1-61.5-25.1000113.2P276 S403 K407P276-D405 WeakPolarHBondContact CD-OD1 3.32Å; P276-D405 WeakPolarHBondContact CG-OD1 3.49Å; S403-D405 PolarHBondContact O-N 2.82Å; D405-K407 PolarHBondContact O-N 2.85Å
406Q89.6Confident92.3Very high136 Ų13656.1 Ų56.164%0.63629%0.293SS*.EExtended strand (participates in β ladder)trans-80.9120.6-175.9-172.2-179.132.200110.4F402 S403 L408F402-Q406 CarbonylContact C-O 3.58Å; F402-Q406 WeakPolarHBondContact CA-O 3.09Å; S403-Q406 PolarHBondContact N-O 2.78Å; S403-Q406 WeakPolarHBondContact O-CB 3.37Å; S403-Q406 PolarHBondContact O-N 3.01Å; Q406-L408 PolarHBondContact O-N 2.89Å
407K93.5Very high92Very high107 Ų10759.3 Ų59.347%0.46531%0.308SS..EExtended strand (participates in β ladder)trans-71.8118.6171.3-167.1178.7-58.2-170.30109.7E400 F402 D405E400-K407 IonicContact OE1-NZ 2.82Å; E400-K407 PolarHBondContact OE1-NZ 2.77Å; E400-K407 IonicContact OE2-NZ 2.65Å; F402-K407 HydrophobicContact CD1-CB 3.78Å; F402-K407 HydrophobicContact CD1-CG 4.13Å; F402-K407 HydrophobicContact CE1-CB 3.7Å; F402-K407 HydrophobicContact CE1-CD 4.29Å; F402-K407 HydrophobicContact CE1-CG 3.83Å; F402-K407 HydrophobicContact CZ-CD 4.38Å; F402-K407 HydrophobicContact CZ-CG 4.18Å; D405-K407 PolarHBondContact O-N 2.85Å
408L93.7Very high91.7Very high66 Ų6659.1 Ų59.135%0.34631%0.307SS..EExtended strand (participates in β ladder)trans-84.5-41.3176.7-59.8-177.8000112.1I401 Q406 L434I401-L408 PolarHBondContact O-N 2.8Å; Q406-L408 PolarHBondContact O-N 2.89Å; L408-L434 HydrophobicContact CB-CD1 3.94Å; L408-L434 HydrophobicContact CB-CD2 4.3Å; L408-L434 HydrophobicContact CD1-CD1 4.28Å; L408-L434 HydrophobicContact CD1-CD2 3.96Å
409L95.9Very high91.5Very high38 Ų3863.4 Ų63.420%0.19933%0.334CS..EExtended strand (participates in β ladder)trans-153.2148.1-175.5-174.7144.7000111E400 I401 T411 F432 L434E400-L409 WeakPolarHBondContact CA-O 3.35Å; I401-L409 HydrophobicContact CB-CB 4.43Å; I401-L409 HydrophobicContact CD1-CB 4.34Å; I401-L409 HydrophobicContact CD1-CD2 4.1Å; I401-L409 PolarHBondContact N-O 2.84Å; I401-L409 PolarHBondContact O-N 2.85Å; L409-T411 HydrophobicContact CD2-CG2 3.75Å; L409-F432 HydrophobicContact CD1-CB 4.19Å; L409-F432 HydrophobicContact CD2-CB 3.89Å; L409-F432 HydrophobicContact CD2-CG 4.41Å; L409-L434 HydrophobicContact CB-CD1 4.5Å; L409-L434 HydrophobicContact CD1-CB 4.45Å
410S95.7Very high91.4Very high50 Ų5066.7 Ų66.735%0.3535%0.349SS..EExtended strand (participates in β ladder)trans-136.8133.5167.4-173.90000109.5E400 C412E400-S410 PolarHBondContact OE1-OG 2.99Å; S410-C412 VanDerWaalsContact C-N 3.34Å; S410-C412 VanDerWaalsContact OG-CB 3.27Å; S410-C412 WeakPolarHBondContact OG-CB 3.43Å; S410-C412 PolarHBondContact OG-N 3.18Å
411T95.2Very high91.4Very high28 Ų2865.4 Ų65.417%0.17234%0.344CS..  trans-95.78.3168.873.70000111.9V399 L409 I430 F432V399-T411 HydrophobicContact CG1-CG2 3.56Å; V399-T411 PolarHBondContact N-OG1 3.28Å; V399-T411 PolarHBondContact O-N 3.01Å; V399-T411 PolarHBondContact O-OG1 2.67Å; L409-T411 HydrophobicContact CD2-CG2 3.75Å; T411-I430 HydrophobicContact CG2-CG2 4.03Å; T411-F432 HydrophobicContact CG2-CB 4.05Å
412C91.7Very high91.2Very high48 Ų4867.9 Ų67.932%0.32436%0.357SS..  trans-66.2133.4177.4-1660000109.8F398 S410F398-C412 HydrophobicContact CD2-CB 3.52Å; F398-C412 HydrophobicContact CE2-CB 3.78Å; F398-C412 HydrophobicContact CG-CB 4.07Å; S410-C412 VanDerWaalsContact C-N 3.34Å; S410-C412 VanDerWaalsContact OG-CB 3.27Å; S410-C412 WeakPolarHBondContact OG-CB 3.43Å; S410-C412 PolarHBondContact OG-N 3.18Å
413Q88.3Confident91Very high109 Ų10968.9 Ų68.951%0.50937%0.366SS..  trans-126.6179.4177.6-58.6-176.723.200109.3Y415 K417 I418Q413-Y415 PolarHBondContact O-N 2.99Å; Q413-K417 HydrophobicContact CB-CB 3.97Å; Q413-I418 HydrophobicContact CB-CG1 4.05Å; Q413-I418 WeakPolarHBondContact O-CD1 3.3Å
414E86.3Confident91Very high122 Ų12271.7 Ų71.757%0.5739%0.391SS*.  trans-51.6142.4165.9-71160.1-134.600110.3D416 K417E414-D416 PolarHBondContact O-N 3.04Å; E414-K417 HydrophobicContact CB-CD 4.13Å; E414-K417 HydrophobicContact CB-CG 4.28Å; E414-K417 WeakPolarHBondContact O-CB 3.38Å; E414-K417 PolarHBondContact O-N 3.39Å; E414-K417 IonicContact OE1-NZ 3.37Å; E414-K417 PolarHBondContact OE1-NZ 3.44Å; E414-K417 VanDerWaalsContact OE2-CE 3.25Å; E414-K417 WeakPolarHBondContact OE2-CE 3.48Å; E414-K417 IonicContact OE2-NZ 2.61Å; E414-K417 PolarHBondContact OE2-NZ 2.85Å; E414-K417 VanDerWaalsContact OE2-NZ 3.14Å
415Y86.9Confident91.1Very high63 Ų6375 Ų7525%0.24740%0.395CS..G310 helixtrans-44.6-49.2-171.8-176.1-107.3000112.9R396 Q413 K417 I418 A447 V459R396-Y415 PolarHBondContact NH1-O 3.49Å; Q413-Y415 PolarHBondContact O-N 2.99Å; Y415-K417 PolarHBondContact O-N 3.11Å; Y415-I418 PolarHBondContact O-N 3.07Å; Y415-A447 HydrophobicContact CD2-CB 4.37Å; Y415-V459 HydrophobicContact CD2-CG2 4.34Å; Y415-V459 HydrophobicContact CG-CG2 4.46Å
416D86Confident91.4Very high96 Ų9672.4 Ų72.451%0.51339%0.389SS..G310 helixtrans-66.7-25.8-173.1-62-45.8000112.4R396 E414 R457R396-D416 PolarHBondContact NH1-O 2.88Å; R396-D416 VanDerWaalsContact NH1-O 3.11Å; E414-D416 PolarHBondContact O-N 3.04Å; D416-R457 VanDerWaalsContact CG-NH1 3.34Å; D416-R457 IonicContact OD1-NH1 2.69Å; D416-R457 PolarHBondContact OD1-NH1 3.14Å; D416-R457 VanDerWaalsContact OD1-NH1 3.08Å; D416-R457 IonicContact OD2-NH1 3.5Å; D416-R457 PolarHBondContact OD2-NH1 3.25Å
417K90.2Very high91.7Very high111 Ų11168.5 Ų68.548%0.48338%0.377SS..G310 helixtrans-83.8-19.4-179.3-60.9178.4-180163.50114.3Q413 E414 Y415Q413-K417 HydrophobicContact CB-CB 3.97Å; E414-K417 HydrophobicContact CB-CD 4.13Å; E414-K417 HydrophobicContact CB-CG 4.28Å; E414-K417 WeakPolarHBondContact O-CB 3.38Å; E414-K417 PolarHBondContact O-N 3.39Å; E414-K417 IonicContact OE1-NZ 3.37Å; E414-K417 PolarHBondContact OE1-NZ 3.44Å; E414-K417 VanDerWaalsContact OE2-CE 3.25Å; E414-K417 WeakPolarHBondContact OE2-CE 3.48Å; E414-K417 IonicContact OE2-NZ 2.61Å; E414-K417 PolarHBondContact OE2-NZ 2.85Å; E414-K417 VanDerWaalsContact OE2-NZ 3.14Å; Y415-K417 PolarHBondContact O-N 3.11Å
418I91.6Very high91.8Very high5 Ų563.9 Ų63.93%0.02636%0.357CS..SBendtrans-78.9117.4179-54.5172.2000108.5R396 P397 F398 Q413 Y415 F420 A447R396-I418 WeakPolarHBondContact CD-O 3.48Å; R396-I418 HydrophobicContact CG-CB 3.73Å; R396-I418 HydrophobicContact CG-CG2 3.48Å; R396-I418 VanDerWaalsContact CG-CG2 3.48Å; R396-I418 WeakPolarHBondContact CG-O 3.49Å; R396-I418 PolarHBondContact NE-O 3.28Å; R396-I418 PolarHBondContact NH1-O 3.32Å; R396-I418 PolarHBondContact NH2-O 2.96Å; P397-I418 WeakPolarHBondContact O-CG2 3.43Å; F398-I418 HydrophobicContact CD1-CD1 4.33Å; Q413-I418 HydrophobicContact CB-CG1 4.05Å; Q413-I418 WeakPolarHBondContact O-CD1 3.3Å; Y415-I418 PolarHBondContact O-N 3.07Å; I418-F420 PolarHBondContact O-N 3Å; I418-A447 HydrophobicContact CD1-CB 3.52Å
419P92.2Very high92Very high90 Ų9064.1 Ų64.158%0.58436%0.361SS*.PPolyproline II helixtrans-62138.1-175.724.8-33.8000112.7
420F94.5Very high92.1Very high70 Ų7062.9 Ų62.931%0.30736%0.355SS..PPolyproline II helixtrans-79.6131.2166.4173.2-107000108.3N389 C395 I418 D422N389-F420 HydrophobicContact CB-CE2 4.36Å; N389-F420 WeakPolarHBondContact ND2-CE2 3.27Å; C395-F420 WeakPolarHBondContact O-CD2 3.35Å; I418-F420 PolarHBondContact O-N 3Å; F420-D422 HydrophobicContact CE1-CB 3.84Å; F420-D422 HydrophobicContact CZ-CB 4.46Å
421V96Very high92.1Very high8 Ų865 Ų655%0.04837%0.367CS..EExtended strand (participates in β ladder)trans-108.6115177.3-1800000107.2V385 G394 C395 P397 E425 F428V385-V421 HydrophobicContact CB-CG1 4.32Å; V385-V421 HydrophobicContact CG1-CB 4.26Å; V385-V421 HydrophobicContact CG1-CG1 3.68Å; V385-V421 HydrophobicContact CG2-CG1 3.6Å; G394-V421 WeakPolarHBondContact CA-O 3.39Å; C395-V421 PolarHBondContact N-O 3.24Å; C395-V421 PolarHBondContact O-N 3.47Å; P397-V421 HydrophobicContact CG-CG2 3.97Å; V421-E425 HydrophobicContact CG1-CB 4.24Å; V421-F428 HydrophobicContact CB-CB 4.28Å; V421-F428 HydrophobicContact CG1-CB 3.7Å; V421-F428 HydrophobicContact CG1-CD1 4.1Å; V421-F428 HydrophobicContact CG1-CG 4.27Å; V421-F428 HydrophobicContact CG2-CB 3.7Å; V421-F428 HydrophobicContact CG2-CG 4.15Å
422D93.6Very high92.1Very high51 Ų5164.1 Ų64.127%0.27336%0.361SS..EExtended strand (participates in β ladder)trans-81.1151175.2-164.2-72.9000110.7N393 F420 A424 E425N393-D422 PolarHBondContact ND2-OD2 3.23Å; N393-D422 VanDerWaalsContact ND2-OD2 3.16Å; N393-D422 WeakPolarHBondContact O-CA 3.45Å; F420-D422 HydrophobicContact CE1-CB 3.84Å; F420-D422 HydrophobicContact CZ-CB 4.46Å; D422-A424 HydrophobicContact CB-CB 4.46Å; D422-A424 PolarHBondContact O-N 3.19Å; D422-A424 VanDerWaalsContact O-N 3.12Å; D422-A424 WeakPolarHBondContact OD1-CB 3.31Å; D422-A424 PolarHBondContact OD1-N 3.17Å; D422-E425 WeakPolarHBondContact O-CB 3.29Å; D422-E425 PolarHBondContact O-N 2.8Å
423V91.3Very high92.1Very high63 Ų6368.7 Ų68.738%0.38238%0.377SS..G310 helixtrans-55.2-27.6173173.20000112I387 N393 E425 A426I387-V423 HydrophobicContact CG2-CG2 3.42Å; I387-V423 VanDerWaalsContact CG2-CG2 3.42Å; N393-V423 VanDerWaalsContact C-CG2 3.45Å; N393-V423 WeakPolarHBondContact O-CG2 3.32Å; N393-V423 PolarHBondContact O-N 3.49Å; V423-E425 PolarHBondContact O-N 2.99Å; V423-A426 PolarHBondContact O-N 3.02Å; V423-A426 VanDerWaalsContact O-N 3.14Å
424A89.9Confident92.4Very high90 Ų9064.3 Ų64.374%0.74436%0.357SS*.G310 helixtrans-60.1-25.3173.800000114.1D422 A426D422-A424 HydrophobicContact CB-CB 4.46Å; D422-A424 PolarHBondContact O-N 3.19Å; D422-A424 VanDerWaalsContact O-N 3.12Å; D422-A424 WeakPolarHBondContact OD1-CB 3.31Å; D422-A424 PolarHBondContact OD1-N 3.17Å; A424-A426 PolarHBondContact O-N 2.97Å
425E88Confident92.7Very high111 Ų11164.9 Ų64.952%0.51936%0.358SS..G310 helixtrans-74-9.7177.9-65.4-177-152.400113.1V421 D422 V423 S427V421-E425 HydrophobicContact CG1-CB 4.24Å; D422-E425 WeakPolarHBondContact O-CB 3.29Å; D422-E425 PolarHBondContact O-N 2.8Å; V423-E425 PolarHBondContact O-N 2.99Å; E425-S427 PolarHBondContact O-N 3.34Å
426A89.6Confident92.9Very high58 Ų5862.3 Ų62.348%0.47935%0.348SS..  trans59.7-25.6-178.100000116.3S383 P384 V423 A424S383-A426 PolarHBondContact OG-O 3.43Å; P384-A426 VanDerWaalsContact CA-O 3.27Å; P384-A426 WeakPolarHBondContact CA-O 3.4Å; V423-A426 PolarHBondContact O-N 3.02Å; V423-A426 VanDerWaalsContact O-N 3.14Å; A424-A426 PolarHBondContact O-N 2.97Å
427S95.6Very high93.1Very high55 Ų5561.2 Ų61.239%0.38534%0.342SS..  trans-159.1161.2176.966.10000111.2V382 E425V382-S427 CarbonylContact O-C 3.59Å; V382-S427 WeakPolarHBondContact O-CA 3.29Å; V382-S427 VanDerWaalsContact O-CB 3.23Å; V382-S427 WeakPolarHBondContact O-CB 3.37Å; E425-S427 PolarHBondContact O-N 3.34Å
428F96.7Very high93.1Very high10 Ų1057.8 Ų57.84%0.04433%0.332CS..EExtended strand (participates in β ladder)trans-133.7158.4169.766.7-90.1000112.1S381 V382 V385 P386 P397 V421 I430 M464S381-F428 CarbonylContact C-O 3.59Å; S381-F428 WeakPolarHBondContact CA-O 3.49Å; V382-F428 HydrophobicContact CB-CD1 4.07Å; V382-F428 HydrophobicContact CB-CD2 4.47Å; V382-F428 HydrophobicContact CB-CE1 3.51Å; V382-F428 HydrophobicContact CB-CE2 3.96Å; V382-F428 HydrophobicContact CB-CZ 3.46Å; V382-F428 VanDerWaalsContact CB-CZ 3.46Å; V382-F428 HydrophobicContact CG1-CE1 3.74Å; V382-F428 HydrophobicContact CG1-CZ 3.91Å; V382-F428 HydrophobicContact CG2-CE1 4.08Å; V382-F428 HydrophobicContact CG2-CE2 3.71Å; V382-F428 HydrophobicContact CG2-CZ 3.46Å; V382-F428 VanDerWaalsContact CG2-CZ 3.46Å; V382-F428 PolarHBondContact N-O 3.08Å; V382-F428 PolarHBondContact O-N 3.27Å; V385-F428 HydrophobicContact CG1-CD1 4.39Å; V385-F428 HydrophobicContact CG2-CD1 4.37Å; P386-F428 HydrophobicContact CG-CE1 4.36Å; P397-F428 HydrophobicContact CB-CD2 4.19Å; P397-F428 HydrophobicContact CB-CE1 4.47Å; P397-F428 HydrophobicContact CB-CE2 3.6Å; P397-F428 HydrophobicContact CB-CZ 3.75Å; P397-F428 HydrophobicContact CG-CD1 4.4Å; P397-F428 HydrophobicContact CG-CD2 3.6Å; P397-F428 HydrophobicContact CG-CE1 4.35Å; P397-F428 HydrophobicContact CG-CE2 3.56Å; P397-F428 HydrophobicContact CG-CG 4.05Å; P397-F428 HydrophobicContact CG-CZ 3.94Å; V421-F428 HydrophobicContact CB-CB 4.28Å; V421-F428 HydrophobicContact CG1-CB 3.7Å; V421-F428 HydrophobicContact CG1-CD1 4.1Å; V421-F428 HydrophobicContact CG1-CG 4.27Å; V421-F428 HydrophobicContact CG2-CB 3.7Å; V421-F428 HydrophobicContact CG2-CG 4.15Å; F428-I430 HydrophobicContact CD2-CD1 4.4Å; F428-I430 HydrophobicContact CD2-CG1 3.94Å; F428-I430 HydrophobicContact CE2-CD1 3.89Å; F428-I430 HydrophobicContact CE2-CG1 3.92Å; F428-M464 HydrophobicContact CZ-CE 4.32Å
429T97.2Very high93.2Very high70 Ų7058.2 Ų58.243%0.42933%0.334SS..EExtended strand (participates in β ladder)trans-129.7130.2176.7-62.80000110.2R379 I380 S381R379-T429 HydrophobicContact CB-CG2 3.89Å; R379-T429 HydrophobicContact CG-CG2 4.27Å; I380-T429 CarbonylContact O-C 3.54Å; I380-T429 VanDerWaalsContact O-CA 3.31Å; I380-T429 WeakPolarHBondContact O-CA 3.45Å; S381-T429 PolarHBondContact OG-OG1 2.94Å
430I96.9Very high93.4Very high13 Ų1353.9 Ų53.97%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-106.7109173.5-49.6175.3000108.4R379 I380 P397 V399 T411 F428 F432 V444R379-I430 VanDerWaalsContact CA-O 3.25Å; R379-I430 WeakPolarHBondContact CA-O 3.06Å; R379-I430 WeakPolarHBondContact CB-O 3.33Å; I380-I430 PolarHBondContact N-O 3.13Å; I380-I430 PolarHBondContact O-N 3.3Å; P397-I430 HydrophobicContact CB-CD1 4.12Å; V399-I430 HydrophobicContact CB-CD1 4.43Å; V399-I430 HydrophobicContact CG1-CG2 3.99Å; T411-I430 HydrophobicContact CG2-CG2 4.03Å; F428-I430 HydrophobicContact CD2-CD1 4.4Å; F428-I430 HydrophobicContact CD2-CG1 3.94Å; F428-I430 HydrophobicContact CE2-CD1 3.89Å; F428-I430 HydrophobicContact CE2-CG1 3.92Å; I430-F432 WeakPolarHBondContact O-CD1 3.46Å; I430-V444 HydrophobicContact CD1-CG1 4.23Å
431P96.3Very high93.4Very high93 Ų9351 Ų5160%0.60430%0.295SS*.EExtended strand (participates in β ladder)trans-77.5142.8174.931.9-33.6000111.5
432F94.9Very high93.5Very high10 Ų1050.6 Ų50.64%0.04429%0.292CS..EExtended strand (participates in β ladder)trans-161.4160.1171.355.6-94.4000109.2A377 S378 I380 V399 I401 L409 T411 I430 L434 F442 L505A377-F432 HydrophobicContact CB-CE2 3.74Å; A377-F432 HydrophobicContact CB-CZ 4.45Å; S378-F432 CarbonylContact C-O 3.34Å; S378-F432 WeakPolarHBondContact CA-O 3.48Å; S378-F432 PolarHBondContact O-N 3.12Å; I380-F432 HydrophobicContact CB-CE1 4.16Å; I380-F432 HydrophobicContact CD1-CE1 3.86Å; I380-F432 HydrophobicContact CD1-CZ 4Å; I380-F432 HydrophobicContact CG1-CE1 3.72Å; I380-F432 HydrophobicContact CG1-CZ 3.88Å; V399-F432 HydrophobicContact CG1-CD1 3.81Å; V399-F432 HydrophobicContact CG1-CE1 4.05Å; I401-F432 HydrophobicContact CD1-CD2 3.69Å; I401-F432 HydrophobicContact CD1-CE2 3.52Å; I401-F432 HydrophobicContact CD1-CG 4.27Å; I401-F432 HydrophobicContact CD1-CZ 3.99Å; L409-F432 HydrophobicContact CD1-CB 4.19Å; L409-F432 HydrophobicContact CD2-CB 3.89Å; L409-F432 HydrophobicContact CD2-CG 4.41Å; T411-F432 HydrophobicContact CG2-CB 4.05Å; I430-F432 WeakPolarHBondContact O-CD1 3.46Å; F432-L434 HydrophobicContact CD2-CB 4.29Å; F432-F442 HydrophobicContact CE2-CE1 4.02Å; F432-F442 HydrophobicContact CZ-CD1 4.33Å; F432-F442 AromaticContact CZ-CE1 3.84Å; F432-F442 HydrophobicContact CZ-CE1 3.84Å; F432-L505 HydrophobicContact CZ-CD1 3.85Å
433H93.1Very high93.6Very high144 Ų14448.4 Ų48.467%0.66728%0.281SS*.EExtended strand (participates in β ladder)trans-125.2105.1176.8-62.8-69.3000109.3
434L93.7Very high93.9Very high17 Ų1745.4 Ų45.49%0.08926%0.263CS..EExtended strand (participates in β ladder)trans-125.4119.3178.5-179.968000110.2L376 A377 I401 L408 L409 F432 F436L376-L434 WeakPolarHBondContact CA-O 3.44Å; A377-L434 PolarHBondContact N-O 3.28Å; A377-L434 PolarHBondContact O-N 2.99Å; I401-L434 HydrophobicContact CB-CD2 3.97Å; I401-L434 HydrophobicContact CD1-CB 4.38Å; I401-L434 HydrophobicContact CD1-CD2 3.74Å; I401-L434 HydrophobicContact CG1-CD2 4.45Å; I401-L434 HydrophobicContact CG2-CD2 3.45Å; I401-L434 VanDerWaalsContact CG2-CD2 3.45Å; L408-L434 HydrophobicContact CB-CD1 3.94Å; L408-L434 HydrophobicContact CB-CD2 4.3Å; L408-L434 HydrophobicContact CD1-CD1 4.28Å; L408-L434 HydrophobicContact CD1-CD2 3.96Å; L409-L434 HydrophobicContact CB-CD1 4.5Å; L409-L434 HydrophobicContact CD1-CB 4.45Å; F432-L434 HydrophobicContact CD2-CB 4.29Å; L434-F436 HydrophobicContact CD2-CD1 4.4Å; L434-F436 HydrophobicContact CG-CD1 4.44Å
435K92.8Very high94.2Very high134 Ų13441.2 Ų41.258%0.58323%0.228SC*.EExtended strand (participates in β ladder)trans-88.2127.9165.7-66.2-176.6177.8-1750108.8V375 L376V375-K435 WeakPolarHBondContact O-CA 3.47Å; L376-K435 HydrophobicContact CD1-CG 3.76Å
436F91.8Very high94.6Very high10 Ų1036.3 Ų36.34%0.04421%0.205CC..EExtended strand (participates in β ladder)trans-147.3151.4173.973-76.6000110.7V375 A377 L434 S438 A440 V469 A471 L474V375-F436 HydrophobicContact CB-CD1 4.49Å; V375-F436 HydrophobicContact CB-CE1 4.03Å; V375-F436 HydrophobicContact CB-CZ 4.21Å; V375-F436 HydrophobicContact CG1-CE1 3.86Å; V375-F436 HydrophobicContact CG1-CZ 4.15Å; V375-F436 PolarHBondContact N-O 3.07Å; V375-F436 PolarHBondContact O-N 2.9Å; A377-F436 HydrophobicContact CB-CE1 3.98Å; L434-F436 HydrophobicContact CD2-CD1 4.4Å; L434-F436 HydrophobicContact CG-CD1 4.44Å; F436-S438 VanDerWaalsContact CD2-O 3.27Å; F436-S438 WeakPolarHBondContact CD2-O 3.34Å; F436-S438 WeakPolarHBondContact CE2-O 3.47Å; F436-A440 HydrophobicContact CD2-CB 3.69Å; F436-A440 HydrophobicContact CE2-CB 3.66Å; F436-A440 HydrophobicContact CG-CB 4.21Å; F436-A440 HydrophobicContact CZ-CB 4.18Å; F436-V469 HydrophobicContact CE2-CG2 4.49Å; F436-V469 HydrophobicContact CZ-CG2 4.32Å; F436-A471 HydrophobicContact CD2-CB 3.91Å; F436-A471 HydrophobicContact CE2-CB 3.71Å; F436-A471 HydrophobicContact CZ-CB 4.46Å; F436-L474 HydrophobicContact CZ-CD1 4.01Å
437D89.4Confident94.8Very high72 Ų7233.5 Ų33.539%0.38518%0.182SC..SBendtrans-124.64-175.753.412.7000113R374R374-D437 HydrophobicContact CG-CB 4.12Å; R374-D437 IonicContact CZ-OD2 3.94Å; R374-D437 VanDerWaalsContact CZ-OD2 3.29Å; R374-D437 IonicContact NH1-OD2 3.14Å; R374-D437 PolarHBondContact NH1-OD2 3.13Å; R374-D437 IonicContact NH2-OD2 3.71Å; R374-D437 PolarHBondContact NH2-OD2 3.45Å
438S90.4Very high94.6Very high39 Ų3935 Ų3527%0.27318%0.179SC..SBendtrans-140.1-149.4-173.158.40000111.6F436 A471F436-S438 VanDerWaalsContact CD2-O 3.27Å; F436-S438 WeakPolarHBondContact CD2-O 3.34Å; F436-S438 WeakPolarHBondContact CE2-O 3.47Å; S438-A471 PolarHBondContact O-N 3.4Å
439D93.9Very high94Very high14 Ų1436.2 Ų36.28%0.07519%0.188CC..EExtended strand (participates in β ladder)trans-70.8129.7178.9-58.8-81.6000111.7S282 L283 Y355 S403 H470S282-D439 WeakPolarHBondContact CA-OD2 3.36Å; S282-D439 WeakPolarHBondContact CB-OD2 3.44Å; L283-D439 PolarHBondContact N-OD1 3.48Å; L283-D439 PolarHBondContact N-OD2 3.23Å; Y355-D439 WeakPolarHBondContact CE1-OD1 3.42Å; Y355-D439 WeakPolarHBondContact OH-CB 3.43Å; Y355-D439 PolarHBondContact OH-OD1 3.16Å; S403-D439 PolarHBondContact OG-O 2.84Å; D439-H470 IonicContact OD1-CD2 2.86Å; D439-H470 PolarHBondContact OD1-CD2 2.58Å; D439-H470 IonicContact OD2-CD2 3.59Å
440A95.1Very high92.7Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-130.2131.2175.400000111.3I401 F402 F436 F442 Q468 V469I401-A440 HydrophobicContact CG2-CB 4.4Å; F402-A440 CarbonylContact O-C 3.53Å; F402-A440 WeakPolarHBondContact O-CA 3.49Å; F436-A440 HydrophobicContact CD2-CB 3.69Å; F436-A440 HydrophobicContact CE2-CB 3.66Å; F436-A440 HydrophobicContact CG-CB 4.21Å; F436-A440 HydrophobicContact CZ-CB 4.18Å; A440-F442 HydrophobicContact CB-CD2 4.45Å; A440-F442 HydrophobicContact CB-CE2 3.72Å; A440-F442 HydrophobicContact CB-CZ 4.29Å; A440-Q468 WeakPolarHBondContact O-CA 3.39Å; A440-V469 PolarHBondContact N-O 3.11Å; A440-V469 PolarHBondContact O-N 2.91Å
441T96.4Very high91.3Very high9 Ų939.4 Ų39.46%0.05520%0.204CC..EExtended strand (participates in β ladder)trans-108.9118.1176.3-53.70000109.3I401 F402 V443 Q466 Q468I401-T441 CarbonylContact C-O 3.55Å; I401-T441 VanDerWaalsContact CA-O 3.27Å; I401-T441 WeakPolarHBondContact CA-O 3.36Å; F402-T441 PolarHBondContact N-O 3.31Å; F402-T441 PolarHBondContact O-N 3.2Å; T441-V443 HydrophobicContact CG2-CG2 4.21Å; T441-Q466 HydrophobicContact CG2-CG 3.9Å; T441-Q468 HydrophobicContact CG2-CG 3.71Å; T441-Q468 WeakPolarHBondContact OG1-CG 3.06Å; T441-Q468 PolarHBondContact OG1-NE2 2.81Å
442F97.1Very high89.6Confident0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-101.4122.5178.6-64.9-98.8000109.4A377 I380 I401 F432 A440 Q466 F467 V469 L505A377-F442 HydrophobicContact CB-CZ 4.42Å; I380-F442 HydrophobicContact CD1-CB 4.42Å; I380-F442 HydrophobicContact CD1-CD1 3.73Å; I380-F442 HydrophobicContact CD1-CE1 4.44Å; I380-F442 HydrophobicContact CD1-CG 4.4Å; I401-F442 HydrophobicContact CD1-CD1 3.86Å; I401-F442 HydrophobicContact CD1-CE1 3.6Å; I401-F442 HydrophobicContact CG1-CD1 3.73Å; I401-F442 HydrophobicContact CG1-CE1 3.96Å; I401-F442 HydrophobicContact CG2-CD1 4.11Å; I401-F442 HydrophobicContact CG2-CE1 4.02Å; I401-F442 HydrophobicContact CG2-CE2 4.5Å; I401-F442 HydrophobicContact CG2-CG 4.42Å; I401-F442 HydrophobicContact CG2-CZ 4.22Å; F432-F442 HydrophobicContact CE2-CE1 4.02Å; F432-F442 HydrophobicContact CZ-CD1 4.33Å; F432-F442 AromaticContact CZ-CE1 3.84Å; F432-F442 HydrophobicContact CZ-CE1 3.84Å; A440-F442 HydrophobicContact CB-CD2 4.45Å; A440-F442 HydrophobicContact CB-CE2 3.72Å; A440-F442 HydrophobicContact CB-CZ 4.29Å; F442-Q466 CarbonylContact O-C 3.52Å; F442-Q466 VanDerWaalsContact O-CA 3.25Å; F442-Q466 WeakPolarHBondContact O-CA 3.25Å; F442-Q466 WeakPolarHBondContact O-CG 3.48Å; F442-F467 HydrophobicContact CB-CD1 4.07Å; F442-F467 HydrophobicContact CB-CD2 4.24Å; F442-F467 HydrophobicContact CB-CE1 3.6Å; F442-F467 HydrophobicContact CB-CE2 3.79Å; F442-F467 HydrophobicContact CB-CG 4.37Å; F442-F467 HydrophobicContact CB-CZ 3.44Å; F442-F467 VanDerWaalsContact CB-CZ 3.44Å; F442-F467 HydrophobicContact CD1-CZ 4.17Å; F442-F467 HydrophobicContact CD2-CD2 4.05Å; F442-F467 AromaticContact CD2-CE2 3.44Å; F442-F467 HydrophobicContact CD2-CE2 3.44Å; F442-F467 VanDerWaalsContact CD2-CE2 3.44Å; F442-F467 AromaticContact CD2-CZ 3.86Å; F442-F467 HydrophobicContact CD2-CZ 3.86Å; F442-F467 HydrophobicContact CE2-CE2 4.15Å; F442-F467 HydrophobicContact CG-CD2 4.43Å; F442-F467 HydrophobicContact CG-CE1 4.24Å; F442-F467 AromaticContact CG-CE2 3.67Å; F442-F467 HydrophobicContact CG-CE2 3.67Å; F442-F467 AromaticContact CG-CZ 3.56Å; F442-F467 HydrophobicContact CG-CZ 3.56Å; F442-F467 PolarHBondContact N-O 3.42Å; F442-F467 PolarHBondContact O-N 2.9Å; F442-V469 HydrophobicContact CD2-CG2 4.32Å; F442-V469 HydrophobicContact CE2-CG2 3.71Å; F442-L505 HydrophobicContact CD1-CD1 4.44Å; F442-L505 HydrophobicContact CE1-CD1 3.82Å; F442-L505 HydrophobicContact CE1-CD2 4.44Å; F442-L505 HydrophobicContact CE2-CD2 4.12Å; F442-L505 HydrophobicContact CZ-CD1 4.08Å; F442-L505 HydrophobicContact CZ-CD2 3.91Å
443V96.3Very high87.8Confident5 Ų538.6 Ų38.63%0.0320%0.203CC..EExtended strand (participates in β ladder)trans-118.1111.7179.1-174.80000108.3V399 E400 F402 T441 K463 Q466V399-V443 WeakPolarHBondContact CA-O 3.33Å; E400-V443 PolarHBondContact N-O 2.8Å; E400-V443 PolarHBondContact O-N 3.16Å; F402-V443 HydrophobicContact CD2-CG2 4.05Å; F402-V443 HydrophobicContact CE2-CB 4.34Å; F402-V443 HydrophobicContact CE2-CG2 3.86Å; T441-V443 HydrophobicContact CG2-CG2 4.21Å; V443-K463 HydrophobicContact CG1-CD 4.06Å; V443-K463 HydrophobicContact CG1-CG 4.07Å; V443-Q466 HydrophobicContact CG2-CG 4.04Å
444V97Very high86.1Confident0 Ų037.5 Ų37.50%020%0.196CC..EExtended strand (participates in β ladder)trans-102.8127.7177.7-169.20000109I380 F398 V399 I430 M464 F465I380-V444 HydrophobicContact CD1-CG2 4.26Å; F398-V444 WeakPolarHBondContact O-CA 3.45Å; V399-V444 HydrophobicContact CB-CG2 4.38Å; V399-V444 HydrophobicContact CG2-CG2 4.08Å; I430-V444 HydrophobicContact CD1-CG1 4.23Å; V444-M464 HydrophobicContact CB-CE 4.45Å; V444-M464 HydrophobicContact CG1-CE 3.52Å; V444-M464 WeakPolarHBondContact O-CB 3.39Å; V444-M464 PolarHBondContact O-N 2.95Å; V444-F465 HydrophobicContact CB-CD1 4.47Å; V444-F465 HydrophobicContact CB-CD2 4.12Å; V444-F465 HydrophobicContact CB-CE1 4Å; V444-F465 HydrophobicContact CB-CE2 3.63Å; V444-F465 HydrophobicContact CB-CZ 3.56Å; V444-F465 HydrophobicContact CG1-CE1 4.16Å; V444-F465 HydrophobicContact CG1-CE2 4.41Å; V444-F465 HydrophobicContact CG1-CZ 3.85Å; V444-F465 HydrophobicContact CG2-CD2 4.09Å; V444-F465 HydrophobicContact CG2-CE1 4.5Å; V444-F465 HydrophobicContact CG2-CE2 3.33Å; V444-F465 HydrophobicContact CG2-CZ 3.58Å; V444-F465 PolarHBondContact N-O 3.05Å; V444-F465 PolarHBondContact O-N 2.77Å
445S96.5Very high84.3Confident2 Ų243 Ų431%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-132.3152.5-171.3-61.50000112.2P397 F398 I462P397-S445 CarbonylContact C-O 3.47Å; P397-S445 WeakPolarHBondContact CA-O 3.16Å; F398-S445 WeakPolarHBondContact CD1-O 3.34Å; F398-S445 VanDerWaalsContact CZ-CB 3.47Å; F398-S445 PolarHBondContact N-O 3.07Å; F398-S445 PolarHBondContact O-N 3.19Å; S445-I462 CarbonylContact C-O 3.52Å; S445-I462 VanDerWaalsContact CA-O 3.3Å; S445-I462 WeakPolarHBondContact CA-O 3.41Å
446H95.9Very high82.6Confident7 Ų743.1 Ų43.13%0.03223%0.226CC..EExtended strand (participates in β ladder)trans-90.9123.8167.9169.944.3000109.5F388 R396 I462 M464F388-H446 HydrophobicContact CB-CB 3.84Å; F388-H446 HydrophobicContact CD1-CB 4.25Å; F388-H446 HydrophobicContact CG-CB 4.24Å; F388-H446 PolarHBondContact O-CD2 2.78Å; R396-H446 PolarHBondContact N-ND1 3.13Å; R396-H446 WeakPolarHBondContact O-CA 3.45Å; H446-I462 HydrophobicContact CB-CB 4.44Å; H446-I462 PolarHBondContact N-O 2.91Å; H446-I462 PolarHBondContact O-N 3.05Å; H446-M464 HydrophobicContact CB-CG 4.05Å; H446-M464 HydrophobicContact CB-SD 4.04Å
447A94.9Very high81.3Confident0 Ų050.5 Ų50.50%025%0.253CS..EExtended strand (participates in β ladder)trans-78.7127.6169.500000110.2R396 F398 Y415 I418 V459R396-A447 HydrophobicContact CG-CB 4.45Å; R396-A447 PolarHBondContact O-N 2.99Å; F398-A447 HydrophobicContact CD1-CB 3.96Å; F398-A447 HydrophobicContact CE1-CB 3.93Å; Y415-A447 HydrophobicContact CD2-CB 4.37Å; I418-A447 HydrophobicContact CD1-CB 3.52Å; A447-V459 HydrophobicContact CB-CG1 4Å
448R89.8Confident80.4Confident87 Ų8754 Ų5433%0.32827%0.265SS..EExtended strand (participates in β ladder)trans-124.6126.3176.9174.6179177.5176.4-1.2109.6T450 S460 I462R448-T450 PolarHBondContact O-N 3.07Å; R448-S460 WeakPolarHBondContact CB-OG 3.47Å; R448-S460 PolarHBondContact N-O 3.04Å; R448-S460 PolarHBondContact O-N 2.9Å; R448-S460 PolarHBondContact O-OG 2.85Å; R448-I462 HydrophobicContact CB-CD1 4.35Å
449S84Confident79.7Confident34 Ų3454.3 Ų54.324%0.23827%0.265CS..EExtended strand (participates in β ladder)trans-73121.4172.3-176.10000108.9
450T70.8Confident79.3Confident45 Ų4555.2 Ų55.228%0.27627%0.272SS..EExtended strand (participates in β ladder)trans-114.2129.2167.146.50000107.1R448 G452 K458 S460R448-T450 PolarHBondContact O-N 3.07Å; T450-G452 PolarHBondContact O-N 3.34Å; T450-K458 PolarHBondContact N-O 2.94Å; T450-K458 PolarHBondContact O-N 3.49Å; T450-K458 VanDerWaalsContact O-O 3.06Å; T450-K458 PolarHBondContact OG1-O 2.91Å; T450-S460 WeakPolarHBondContact CG2-OG 3.44Å
451L67.9Low79Confident106 Ų10659.1 Ų59.156%0.55530%0.296SS*.EExtended strand (participates in β ladder)trans-67.6108.3168.9-166.863.6000106.1M455L451-M455 HydrophobicContact CD1-CB 4.48Å; L451-M455 WeakPolarHBondContact CD1-O 3.43Å
452G59.4Low78.9Confident21 Ų2161 Ų6122%0.21631%0.306CS..  trans-64166.1172.900000109.5T450 K454 M455 Q456T450-G452 PolarHBondContact O-N 3.34Å; G452-K454 PolarHBondContact O-N 2.91Å; G452-M455 PolarHBondContact O-N 3.22Å; G452-Q456 WeakPolarHBondContact CA-O 3.46Å; G452-Q456 PolarHBondContact N-O 3.16Å
453T57.2Low78.7Confident64 Ų6466.6 Ų66.639%0.39333%0.33SS..THydrogen-bonded Turntrans-50.8-46.8-179.949.70000111E41 N44 M455E41-T453 VanDerWaalsContact CG-C 3.43Å; E41-T453 WeakPolarHBondContact CG-O 3.24Å; N44-T453 HydrophobicContact CB-CG2 3.33Å; T453-M455 PolarHBondContact O-N 3.43Å
454K57.4Low78.7Confident121 Ų12166.3 Ų66.353%0.52633%0.328SS..THydrogen-bonded Turntrans-72.122.4-178.5-59.3-175.1173-173.70117.3E41 G452 Q456E41-K454 VanDerWaalsContact OE2-CA 3.3Å; E41-K454 WeakPolarHBondContact OE2-CA 3.25Å; G452-K454 PolarHBondContact O-N 2.91Å; K454-Q456 HydrophobicContact CB-CG 4.21Å; K454-Q456 PolarHBondContact O-N 3.08Å
455M56.3Low78.7Confident133 Ų13366.3 Ų66.366%0.65533%0.328SS*.SBendtrans51.911.5-165.6-63.4-176.1101.100114.6L451 G452 T453L451-M455 HydrophobicContact CD1-CB 4.48Å; L451-M455 WeakPolarHBondContact CD1-O 3.43Å; G452-M455 PolarHBondContact O-N 3.22Å; T453-M455 PolarHBondContact O-N 3.43Å
456Q57.8Low78.6Confident137 Ų13766.8 Ų66.864%0.6433%0.33SS*.  trans-83.9128.7176-71.9-179.8-12.300108.8G452 K454 K458G452-Q456 WeakPolarHBondContact CA-O 3.46Å; G452-Q456 PolarHBondContact N-O 3.16Å; K454-Q456 HydrophobicContact CB-CG 4.21Å; K454-Q456 PolarHBondContact O-N 3.08Å; Q456-K458 PolarHBondContact O-N 3.46Å
457R64.5Low78.7Confident164 Ų16466.4 Ų66.462%0.61933%0.328SS*.EExtended strand (participates in β ladder)trans-61.8111.4172-72-177.3-173.4175.41.2108.6D416D416-R457 VanDerWaalsContact CG-NH1 3.34Å; D416-R457 IonicContact OD1-NH1 2.69Å; D416-R457 PolarHBondContact OD1-NH1 3.14Å; D416-R457 VanDerWaalsContact OD1-NH1 3.08Å; D416-R457 IonicContact OD2-NH1 3.5Å; D416-R457 PolarHBondContact OD2-NH1 3.25Å
458K70Confident78.8Confident147 Ų14766.7 Ų66.764%0.63933%0.33SS*.EExtended strand (participates in β ladder)trans-101.9124.1170.7-172.2176.1180-179.40108.4T450 Q456 S460T450-K458 PolarHBondContact N-O 2.94Å; T450-K458 PolarHBondContact O-N 3.49Å; T450-K458 VanDerWaalsContact O-O 3.06Å; T450-K458 PolarHBondContact OG1-O 2.91Å; Q456-K458 PolarHBondContact O-N 3.46Å; K458-S460 PolarHBondContact O-N 3.2Å
459V76.3Confident79.1Confident45 Ų4562.6 Ų62.627%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-71.1110.5169.8179.70000107.9Y415 A447 T461Y415-V459 HydrophobicContact CD2-CG2 4.34Å; Y415-V459 HydrophobicContact CG-CG2 4.46Å; A447-V459 HydrophobicContact CB-CG1 4Å; V459-T461 HydrophobicContact CG1-CG2 4.41Å
460S84.5Confident79.6Confident33 Ų3361.6 Ų61.623%0.23131%0.306CS..EExtended strand (participates in β ladder)trans-86.5147163.465.50000109.2R448 T450 K458R448-S460 WeakPolarHBondContact CB-OG 3.47Å; R448-S460 PolarHBondContact N-O 3.04Å; R448-S460 PolarHBondContact O-N 2.9Å; R448-S460 PolarHBondContact O-OG 2.85Å; T450-S460 WeakPolarHBondContact CG2-OG 3.44Å; K458-S460 PolarHBondContact O-N 3.2Å
461T89.9Confident80.6Confident81 Ų8159.4 Ų59.450%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-116.6133.3-177.861.90000109F398 V459F398-T461 HydrophobicContact CE1-CG2 4.02Å; F398-T461 HydrophobicContact CZ-CG2 3.51Å; V459-T461 HydrophobicContact CG1-CG2 4.41Å
462I92.9Very high81.7Confident50 Ų5054.4 Ų54.426%0.25627%0.266SS..EExtended strand (participates in β ladder)trans-117.7111.5175.4-59.8171.1000106.4F388 S445 H446 R448 M464F388-I462 HydrophobicContact CD1-CG2 3.88Å; F388-I462 HydrophobicContact CE1-CG2 3.96Å; S445-I462 CarbonylContact C-O 3.52Å; S445-I462 VanDerWaalsContact CA-O 3.3Å; S445-I462 WeakPolarHBondContact CA-O 3.41Å; H446-I462 HydrophobicContact CB-CB 4.44Å; H446-I462 PolarHBondContact N-O 2.91Å; H446-I462 PolarHBondContact O-N 3.05Å; R448-I462 HydrophobicContact CB-CD1 4.35Å; I462-M464 PolarHBondContact O-N 3.2Å
463K94.2Very high83.3Confident116 Ų11654.3 Ų54.350%0.50426%0.26SS..EExtended strand (participates in β ladder)trans-61.1125.4176.7-68.7-173.7-178.3-176.30109V443V443-K463 HydrophobicContact CG1-CD 4.06Å; V443-K463 HydrophobicContact CG1-CG 4.07Å
464M95.6Very high84.9Confident0 Ų051.6 Ų51.60%024%0.243CC..EExtended strand (participates in β ladder)trans-91.1-46.9175.5-59.7-168.4-66.200110.4P386 F388 C395 P397 F428 V444 H446 I462 Y497P386-M464 HydrophobicContact CG-SD 3.88Å; F388-M464 HydrophobicContact CB-SD 4.38Å; F388-M464 HydrophobicContact CD1-CG 3.78Å; F388-M464 HydrophobicContact CD1-SD 4.44Å; F388-M464 HydrophobicContact CD2-CB 4.49Å; F388-M464 HydrophobicContact CD2-CG 3.83Å; F388-M464 HydrophobicContact CD2-SD 3.66Å; F388-M464 HydrophobicContact CE1-CB 4.13Å; F388-M464 HydrophobicContact CE1-CG 3.7Å; F388-M464 HydrophobicContact CE2-CB 3.93Å; F388-M464 HydrophobicContact CE2-CG 3.75Å; F388-M464 HydrophobicContact CE2-SD 4.01Å; F388-M464 HydrophobicContact CG-CG 3.84Å; F388-M464 HydrophobicContact CG-SD 3.89Å; F388-M464 HydrophobicContact CZ-CB 3.73Å; F388-M464 HydrophobicContact CZ-CG 3.68Å; C395-M464 HydrophobicContact CB-SD 4.08Å; P397-M464 HydrophobicContact CB-CE 3.79Å; F428-M464 HydrophobicContact CZ-CE 4.32Å; V444-M464 HydrophobicContact CB-CE 4.45Å; V444-M464 HydrophobicContact CG1-CE 3.52Å; V444-M464 WeakPolarHBondContact O-CB 3.39Å; V444-M464 PolarHBondContact O-N 2.95Å; H446-M464 HydrophobicContact CB-CG 4.05Å; H446-M464 HydrophobicContact CB-SD 4.04Å; I462-M464 PolarHBondContact O-N 3.2Å; M464-Y497 PolarHBondContact O-OH 3.11Å
465F96.2Very high86.4Confident0 Ų048.1 Ų48.10%023%0.23CC..EExtended strand (participates in β ladder)trans-163.9163.717655.1-94.8000110.2V382 V444 F467 L488 C489 L491 F501 V503V382-F465 HydrophobicContact CG2-CE1 4.37Å; V382-F465 HydrophobicContact CG2-CZ 3.83Å; V444-F465 HydrophobicContact CB-CD1 4.47Å; V444-F465 HydrophobicContact CB-CD2 4.12Å; V444-F465 HydrophobicContact CB-CE1 4Å; V444-F465 HydrophobicContact CB-CE2 3.63Å; V444-F465 HydrophobicContact CB-CZ 3.56Å; V444-F465 HydrophobicContact CG1-CE1 4.16Å; V444-F465 HydrophobicContact CG1-CE2 4.41Å; V444-F465 HydrophobicContact CG1-CZ 3.85Å; V444-F465 HydrophobicContact CG2-CD2 4.09Å; V444-F465 HydrophobicContact CG2-CE1 4.5Å; V444-F465 HydrophobicContact CG2-CE2 3.33Å; V444-F465 HydrophobicContact CG2-CZ 3.58Å; V444-F465 PolarHBondContact N-O 3.05Å; V444-F465 PolarHBondContact O-N 2.77Å; F465-F467 HydrophobicContact CD2-CD1 4.37Å; F465-F467 HydrophobicContact CE2-CD1 4.44Å; F465-F467 HydrophobicContact CE2-CE1 4.32Å; F465-L488 HydrophobicContact CB-CB 4.28Å; F465-L488 HydrophobicContact CB-CD1 4.18Å; F465-L488 HydrophobicContact CD2-CD1 4.2Å; F465-L488 HydrophobicContact CD2-CD2 4.04Å; F465-L488 HydrophobicContact CG-CD1 4.09Å; F465-C489 CarbonylContact C-O 3.54Å; F465-C489 WeakPolarHBondContact CA-O 3.41Å; F465-L491 HydrophobicContact CB-CD2 3.91Å; F465-F501 HydrophobicContact CD1-CE1 4.21Å; F465-F501 HydrophobicContact CD1-CZ 4.21Å; F465-F501 HydrophobicContact CE1-CE1 4.21Å; F465-F501 AromaticContact CE1-CZ 3.94Å; F465-F501 HydrophobicContact CE1-CZ 3.94Å; F465-V503 HydrophobicContact CD2-CG2 4.45Å; F465-V503 HydrophobicContact CE1-CG2 4.24Å; F465-V503 HydrophobicContact CE2-CG1 3.96Å; F465-V503 HydrophobicContact CE2-CG2 3.81Å; F465-V503 HydrophobicContact CZ-CG1 4.24Å; F465-V503 HydrophobicContact CZ-CG2 3.69Å
466Q95.6Very high87.8Confident11 Ų1144.9 Ų44.95%0.05122%0.219CC..EExtended strand (participates in β ladder)trans-138.2147.2178.2179.3-179.6-6300110.7T441 F442 V443 C489 C490T441-Q466 HydrophobicContact CG2-CG 3.9Å; F442-Q466 CarbonylContact O-C 3.52Å; F442-Q466 VanDerWaalsContact O-CA 3.25Å; F442-Q466 WeakPolarHBondContact O-CA 3.25Å; F442-Q466 WeakPolarHBondContact O-CG 3.48Å; V443-Q466 HydrophobicContact CG2-CG 4.04Å; Q466-C489 HydrophobicContact CB-CB 4.35Å; Q466-C489 PolarHBondContact N-O 2.75Å; Q466-C489 WeakPolarHBondContact O-CA 3.43Å; Q466-C489 WeakPolarHBondContact O-CB 3.47Å; Q466-C489 PolarHBondContact O-N 2.88Å; Q466-C490 HydrophobicContact CB-CB 4.27Å
467F96.9Very high89.1Confident0 Ų043.3 Ų43.30%022%0.223CC..EExtended strand (participates in β ladder)trans-148.6155.2168.263.8-88000111.4S351 I380 F442 F465 V469 L483 L488 V503 L505S351-F467 WeakPolarHBondContact OG-CA 3.17Å; I380-F467 HydrophobicContact CD1-CE1 4.29Å; I380-F467 HydrophobicContact CD1-CZ 4.07Å; F442-F467 HydrophobicContact CB-CD1 4.07Å; F442-F467 HydrophobicContact CB-CD2 4.24Å; F442-F467 HydrophobicContact CB-CE1 3.6Å; F442-F467 HydrophobicContact CB-CE2 3.79Å; F442-F467 HydrophobicContact CB-CG 4.37Å; F442-F467 HydrophobicContact CB-CZ 3.44Å; F442-F467 VanDerWaalsContact CB-CZ 3.44Å; F442-F467 HydrophobicContact CD1-CZ 4.17Å; F442-F467 HydrophobicContact CD2-CD2 4.05Å; F442-F467 AromaticContact CD2-CE2 3.44Å; F442-F467 HydrophobicContact CD2-CE2 3.44Å; F442-F467 VanDerWaalsContact CD2-CE2 3.44Å; F442-F467 AromaticContact CD2-CZ 3.86Å; F442-F467 HydrophobicContact CD2-CZ 3.86Å; F442-F467 HydrophobicContact CE2-CE2 4.15Å; F442-F467 HydrophobicContact CG-CD2 4.43Å; F442-F467 HydrophobicContact CG-CE1 4.24Å; F442-F467 AromaticContact CG-CE2 3.67Å; F442-F467 HydrophobicContact CG-CE2 3.67Å; F442-F467 AromaticContact CG-CZ 3.56Å; F442-F467 HydrophobicContact CG-CZ 3.56Å; F442-F467 PolarHBondContact N-O 3.42Å; F442-F467 PolarHBondContact O-N 2.9Å; F465-F467 HydrophobicContact CD2-CD1 4.37Å; F465-F467 HydrophobicContact CE2-CD1 4.44Å; F465-F467 HydrophobicContact CE2-CE1 4.32Å; F467-V469 HydrophobicContact CD2-CG1 4.26Å; F467-L483 HydrophobicContact CB-CD1 4.04Å; F467-L483 HydrophobicContact CD1-CD1 3.92Å; F467-L483 HydrophobicContact CD2-CD1 3.49Å; F467-L483 VanDerWaalsContact CD2-CD1 3.49Å; F467-L483 HydrophobicContact CE1-CD1 4.23Å; F467-L483 HydrophobicContact CE2-CD1 3.84Å; F467-L483 HydrophobicContact CG-CD1 3.53Å; F467-L483 HydrophobicContact CZ-CD1 4.19Å; F467-L488 HydrophobicContact CB-CD2 4.15Å; F467-L488 HydrophobicContact CD1-CD2 3.96Å; F467-L488 HydrophobicContact CG-CD2 4.38Å; F467-V503 HydrophobicContact CE1-CG1 4.21Å; F467-L505 HydrophobicContact CE2-CD2 4.27Å
468Q96.9Very high90.3Very high6 Ų640.7 Ų40.73%0.02822%0.216CC..EExtended strand (participates in β ladder)trans-123.4143.4177.5-62.3175-94.700111.8T279 A280 S351 R354 Y355 A440 T441T279-Q468 VanDerWaalsContact CA-OE1 3.23Å; T279-Q468 VanDerWaalsContact CB-OE1 3.29Å; A280-Q468 PolarHBondContact O-NE2 2.83Å; S351-Q468 PolarHBondContact OG-N 2.96Å; R354-Q468 WeakPolarHBondContact CD-O 3.45Å; R354-Q468 PolarHBondContact NH1-O 2.79Å; Y355-Q468 HydrophobicContact CE2-CB 3.75Å; A440-Q468 WeakPolarHBondContact O-CA 3.39Å; T441-Q468 HydrophobicContact CG2-CG 3.71Å; T441-Q468 WeakPolarHBondContact OG1-CG 3.06Å; T441-Q468 PolarHBondContact OG1-NE2 2.81Å
469V95.9Very high91.4Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-141.7157.4177.3-64.70000109.8F436 A440 F442 F467 L481F436-V469 HydrophobicContact CE2-CG2 4.49Å; F436-V469 HydrophobicContact CZ-CG2 4.32Å; A440-V469 PolarHBondContact N-O 3.11Å; A440-V469 PolarHBondContact O-N 2.91Å; F442-V469 HydrophobicContact CD2-CG2 4.32Å; F442-V469 HydrophobicContact CE2-CG2 3.71Å; F467-V469 HydrophobicContact CD2-CG1 4.26Å; V469-L481 HydrophobicContact CG1-CD2 3.6Å
470H94.8Very high92.3Very high13 Ų1338.8 Ų38.86%0.0621%0.213CC..EExtended strand (participates in β ladder)trans-114.7132.1170.9-178-75.1000109.1L283 Y358 D439 G472 F473L283-H470 HydrophobicContact CD1-CB 4.07Å; Y358-H470 HydrophobicContact CD2-CB 4.21Å; Y358-H470 HydrophobicContact CE2-CB 3.86Å; D439-H470 IonicContact OD1-CD2 2.86Å; D439-H470 PolarHBondContact OD1-CD2 2.58Å; D439-H470 IonicContact OD2-CD2 3.59Å; H470-G472 VanDerWaalsContact C-N 3.26Å; H470-G472 PolarHBondContact ND1-N 2.92Å; H470-G472 PolarHBondContact O-N 3.28Å; H470-F473 HydrophobicContact CB-CD2 3.93Å; H470-F473 AromaticContact ND1-CD2 3.77Å; H470-F473 PolarHBondContact O-N 2.86Å
471A92.7Very high92.8Very high0 Ų038.7 Ų38.70%021%0.21CC..G310 helixtrans-52-43.3-17500000112.9V375 F436 S438 F473 L474V375-A471 HydrophobicContact CB-CB 4.31Å; V375-A471 HydrophobicContact CG2-CB 3.91Å; F436-A471 HydrophobicContact CD2-CB 3.91Å; F436-A471 HydrophobicContact CE2-CB 3.71Å; F436-A471 HydrophobicContact CZ-CB 4.46Å; S438-A471 PolarHBondContact O-N 3.4Å; A471-F473 PolarHBondContact O-N 2.98Å; A471-L474 PolarHBondContact O-N 2.75Å
472G90.1Very high93.2Very high0 Ų037.7 Ų37.70%020%0.204CC..G310 helixtrans-67.91.5178.900000117L371 H470L371-G472 WeakPolarHBondContact CB-O 3.47Å; L371-G472 PolarHBondContact N-O 3.23Å; L371-G472 WeakPolarHBondContact O-CA 3.18Å; H470-G472 VanDerWaalsContact C-N 3.26Å; H470-G472 PolarHBondContact ND1-N 2.92Å; H470-G472 PolarHBondContact O-N 3.28Å
473F92.6Very high93.4Very high20 Ų2035.6 Ų35.69%0.08819%0.193CC..G310 helixtrans-114.90.8172.9-71.4-89.7000112.9L283 Y358 V362 Y369 P370 H470 A471L283-F473 HydrophobicContact CD1-CD2 4.12Å; L283-F473 HydrophobicContact CD1-CE2 3.42Å; L283-F473 VanDerWaalsContact CD1-CE2 3.42Å; L283-F473 HydrophobicContact CD1-CZ 4.29Å; Y358-F473 HydrophobicContact CD1-CB 3.97Å; Y358-F473 AromaticContact CD1-CD1 3.43Å; Y358-F473 HydrophobicContact CD1-CD1 3.43Å; Y358-F473 VanDerWaalsContact CD1-CD1 3.43Å; Y358-F473 AromaticContact CD1-CD2 3.94Å; Y358-F473 HydrophobicContact CD1-CD2 3.94Å; Y358-F473 AromaticContact CD1-CE1 3.86Å; Y358-F473 HydrophobicContact CD1-CE1 3.86Å; Y358-F473 HydrophobicContact CD1-CE2 4.32Å; Y358-F473 AromaticContact CD1-CG 3.47Å; Y358-F473 HydrophobicContact CD1-CG 3.47Å; Y358-F473 VanDerWaalsContact CD1-CG 3.47Å; Y358-F473 HydrophobicContact CD1-CZ 4.27Å; Y358-F473 HydrophobicContact CD2-CD2 4.13Å; Y358-F473 HydrophobicContact CD2-CE2 4.42Å; Y358-F473 HydrophobicContact CD2-CG 4.42Å; Y358-F473 HydrophobicContact CE1-CB 3.46Å; Y358-F473 VanDerWaalsContact CE1-CB 3.46Å; Y358-F473 AromaticContact CE1-CD1 3.81Å; Y358-F473 HydrophobicContact CE1-CD1 3.81Å; Y358-F473 HydrophobicContact CE1-CD2 4.17Å; Y358-F473 AromaticContact CE1-CG 3.52Å; Y358-F473 HydrophobicContact CE1-CG 3.52Å; Y358-F473 HydrophobicContact CE2-CD2 4.36Å; Y358-F473 HydrophobicContact CE2-CG 4.47Å; Y358-F473 HydrophobicContact CG-CD1 4.08Å; Y358-F473 AromaticContact CG-CD2 3.9Å; Y358-F473 HydrophobicContact CG-CD2 3.9Å; Y358-F473 HydrophobicContact CG-CE1 4.18Å; Y358-F473 HydrophobicContact CG-CE2 4Å; Y358-F473 AromaticContact CG-CG 3.93Å; Y358-F473 HydrophobicContact CG-CG 3.93Å; Y358-F473 HydrophobicContact CG-CZ 4.13Å; V362-F473 HydrophobicContact CG2-CE2 4.45Å; V362-F473 HydrophobicContact CG2-CZ 3.7Å; Y369-F473 AromaticContact CD1-CD1 3.79Å; Y369-F473 HydrophobicContact CD1-CD1 3.79Å; Y369-F473 AromaticContact CD1-CE1 3.61Å; Y369-F473 HydrophobicContact CD1-CE1 3.61Å; Y369-F473 HydrophobicContact CD1-CZ 4.2Å; Y369-F473 HydrophobicContact CE1-CD1 4.03Å; Y369-F473 HydrophobicContact CE1-CE1 4.22Å; Y369-F473 HydrophobicContact CG-CD1 4.42Å; Y369-F473 AromaticContact CG-CE1 3.8Å; Y369-F473 HydrophobicContact CG-CE1 3.8Å; Y369-F473 HydrophobicContact CG-CZ 4.29Å; P370-F473 HydrophobicContact CB-CE2 3.97Å; H470-F473 HydrophobicContact CB-CD2 3.93Å; H470-F473 AromaticContact ND1-CD2 3.77Å; H470-F473 PolarHBondContact O-N 2.86Å; A471-F473 PolarHBondContact O-N 2.98Å
474L92Very high93.4Very high6 Ų634.4 Ų34.43%0.03119%0.189CC..SBendtrans-82125.3171.7-64177.8000108.9N373 V375 F436 A471 P476 L481 Y507N373-L474 PolarHBondContact ND2-O 3.01Å; V375-L474 HydrophobicContact CB-CD1 4.42Å; V375-L474 HydrophobicContact CG1-CD1 3.86Å; V375-L474 HydrophobicContact CG2-CB 4.43Å; V375-L474 HydrophobicContact CG2-CD1 4.13Å; F436-L474 HydrophobicContact CZ-CD1 4.01Å; A471-L474 PolarHBondContact O-N 2.75Å; L474-P476 WeakPolarHBondContact O-CD 3.19Å; L474-L481 HydrophobicContact CD2-CB 4.47Å; L474-L481 HydrophobicContact CD2-CD2 4.08Å; L474-Y507 HydrophobicContact CB-CD2 4.4Å; L474-Y507 HydrophobicContact CB-CE2 3.87Å; L474-Y507 HydrophobicContact CD1-CD1 4.44Å; L474-Y507 HydrophobicContact CD1-CD2 4.42Å; L474-Y507 HydrophobicContact CD1-CG 4.34Å; L474-Y507 HydrophobicContact CD2-CE1 4.2Å
475D88.3Confident93.3Very high48 Ų4835.5 Ų35.526%0.25720%0.195SC..  trans-65.7115.4179.9-178.9-10.9000109.3S477 K478 Y507D475-S477 PolarHBondContact O-N 2.92Å; D475-S477 WeakPolarHBondContact OD1-CB 3.39Å; D475-S477 PolarHBondContact OD1-N 2.88Å; D475-S477 PolarHBondContact OD1-OG 2.94Å; D475-S477 PolarHBondContact OD2-OG 3.49Å; D475-K478 HydrophobicContact CB-CB 4.29Å; D475-K478 HydrophobicContact CB-CD 4.05Å; D475-K478 HydrophobicContact CB-CG 4.23Å; D475-K478 PolarHBondContact O-N 3.14Å; D475-K478 VanDerWaalsContact O-N 3.13Å; D475-K478 WeakPolarHBondContact OD2-CD 3.37Å; D475-K478 WeakPolarHBondContact OD2-CE 3.15Å; D475-K478 IonicContact OD2-NZ 2.85Å; D475-K478 PolarHBondContact OD2-NZ 3.42Å; D475-Y507 PolarHBondContact N-OH 3.27Å; D475-Y507 WeakPolarHBondContact O-CE2 3.31Å; D475-Y507 PolarHBondContact O-OH 2.85Å
476P85.5Confident93.1Very high66 Ų6640.3 Ų40.343%0.42922%0.221SC..THydrogen-bonded Turntrans-67.9-20.3-177.628.3-34.6000112.8L474 K478 A509L474-P476 WeakPolarHBondContact O-CD 3.19Å; P476-K478 PolarHBondContact O-N 2.88Å; P476-A509 HydrophobicContact CB-CB 3.79Å
477S85.4Confident93Very high103 Ų10342.1 Ų42.172%0.7223%0.231SC*.THydrogen-bonded Turntrans-74.9-14.1175.674.50000113D475D475-S477 PolarHBondContact O-N 2.92Å; D475-S477 WeakPolarHBondContact OD1-CB 3.39Å; D475-S477 PolarHBondContact OD1-N 2.88Å; D475-S477 PolarHBondContact OD1-OG 2.94Å; D475-S477 PolarHBondContact OD2-OG 3.49Å
478K90.5Very high92.9Very high109 Ų10942.3 Ų42.347%0.47423%0.232SC..  trans-105.4151.7179.1-66.8177.5-173.6159.90110.3D475 P476 Y507D475-K478 HydrophobicContact CB-CB 4.29Å; D475-K478 HydrophobicContact CB-CD 4.05Å; D475-K478 HydrophobicContact CB-CG 4.23Å; D475-K478 PolarHBondContact O-N 3.14Å; D475-K478 VanDerWaalsContact O-N 3.13Å; D475-K478 WeakPolarHBondContact OD2-CD 3.37Å; D475-K478 WeakPolarHBondContact OD2-CE 3.15Å; D475-K478 IonicContact OD2-NZ 2.85Å; D475-K478 PolarHBondContact OD2-NZ 3.42Å; P476-K478 PolarHBondContact O-N 2.88Å; K478-Y507 WeakPolarHBondContact CB-OH 3.47Å; K478-Y507 WeakPolarHBondContact O-CE2 3.28Å
479N92.4Very high92.7Very high113 Ų11342.2 Ų42.260%0.60423%0.232SC*.SBendtrans-109.1-0.3176.463.69.6000113.1A506 Y507N479-A506 CarbonylContact O-C 3.56Å; N479-A506 VanDerWaalsContact O-CA 3.31Å; N479-A506 WeakPolarHBondContact O-CA 3.43Å; N479-Y507 CarbonylContact C-O 3.58Å; N479-Y507 WeakPolarHBondContact CA-O 3.35Å; N479-Y507 PolarHBondContact O-N 3.5Å; N479-Y507 VanDerWaalsContact O-O 3.08Å
480T95.1Very high92.2Very high39 Ų3945.2 Ų45.224%0.23925%0.252CS..EExtended strand (participates in β ladder)trans-148.5127.3-171.9-54.10000110.9R504 L505T480-R504 HydrophobicContact CG2-CB 3.84Å; T480-R504 HydrophobicContact CG2-CG 4.27Å; T480-L505 CarbonylContact C-O 3.56Å; T480-L505 VanDerWaalsContact CA-O 3.31Å; T480-L505 WeakPolarHBondContact CA-O 3.46Å
481L96.2Very high92.1Very high31 Ų3147.5 Ų47.516%0.16226%0.264CS..EExtended strand (participates in β ladder)trans-95.3125.3165.5173.268.7000108.2V469 L474 L483 R504 L505 Y507V469-L481 HydrophobicContact CG1-CD2 3.6Å; L474-L481 HydrophobicContact CD2-CB 4.47Å; L474-L481 HydrophobicContact CD2-CD2 4.08Å; L481-L483 HydrophobicContact CD1-CD2 4.31Å; L481-L483 HydrophobicContact CD2-CD1 4.29Å; L481-L483 HydrophobicContact CD2-CD2 4.2Å; L481-L483 HydrophobicContact CD2-CG 4.31Å; L481-L483 HydrophobicContact CG-CD2 4.14Å; L481-L483 HydrophobicContact CG-CG 4.17Å; L481-R504 CarbonylContact O-C 3.56Å; L481-R504 VanDerWaalsContact O-CA 3.28Å; L481-R504 WeakPolarHBondContact O-CA 3.47Å; L481-L505 HydrophobicContact CB-CB 4.3Å; L481-L505 PolarHBondContact N-O 3.09Å; L481-L505 PolarHBondContact O-N 3.12Å; L481-Y507 HydrophobicContact CB-CD1 4.37Å; L481-Y507 HydrophobicContact CB-CE1 3.93Å
482T97Very high91.9Very high61 Ų6148.9 Ų48.937%0.37428%0.275SS..EExtended strand (participates in β ladder)trans-107.9130.2177.8-56.10000109.1V502 V503 R504T482-V502 HydrophobicContact CG2-CG1 3.47Å; T482-V502 VanDerWaalsContact CG2-CG1 3.47Å; T482-V503 CarbonylContact C-O 3.57Å; T482-R504 HydrophobicContact CG2-CG 4.17Å; T482-R504 PolarHBondContact OG1-NH1 2.69Å
483L97Very high91.8Very high5 Ų553.7 Ų53.73%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-127.1131-177.5-60.3171.4000108.9F467 L481 D487 L488 V503F467-L483 HydrophobicContact CB-CD1 4.04Å; F467-L483 HydrophobicContact CD1-CD1 3.92Å; F467-L483 HydrophobicContact CD2-CD1 3.49Å; F467-L483 VanDerWaalsContact CD2-CD1 3.49Å; F467-L483 HydrophobicContact CE1-CD1 4.23Å; F467-L483 HydrophobicContact CE2-CD1 3.84Å; F467-L483 HydrophobicContact CG-CD1 3.53Å; F467-L483 HydrophobicContact CZ-CD1 4.19Å; L481-L483 HydrophobicContact CD1-CD2 4.31Å; L481-L483 HydrophobicContact CD2-CD1 4.29Å; L481-L483 HydrophobicContact CD2-CD2 4.2Å; L481-L483 HydrophobicContact CD2-CG 4.31Å; L481-L483 HydrophobicContact CG-CD2 4.14Å; L481-L483 HydrophobicContact CG-CG 4.17Å; L483-D487 HydrophobicContact CB-CB 4.06Å; L483-D487 HydrophobicContact CD2-CB 3.91Å; L483-L488 HydrophobicContact CB-CD2 4.16Å; L483-L488 HydrophobicContact CD1-CD2 4.21Å; L483-V503 HydrophobicContact CB-CB 4.38Å; L483-V503 PolarHBondContact N-O 2.8Å; L483-V503 PolarHBondContact O-N 2.92Å
484E95.3Very high91.6Very high91 Ų9157.7 Ų57.743%0.42532%0.32SS..EExtended strand (participates in β ladder)trans-94.5173.8173.8-63.7-175.6179.700110.9N486 D487 L488E484-N486 PolarHBondContact O-N 3.37Å; E484-N486 VanDerWaalsContact O-N 3.11Å; E484-D487 PolarHBondContact N-OD2 2.93Å; E484-D487 WeakPolarHBondContact O-CB 3.19Å; E484-D487 PolarHBondContact O-N 3.17Å; E484-L488 WeakPolarHBondContact O-CG 3.44Å
485L92.5Very high91.5Very high23 Ų2362.5 Ų62.512%0.1234%0.338CS..G310 helixtrans-51.5-38.3179.8-165.668.1000112.9D487 L488 L491 Y497 F501L485-D487 PolarHBondContact O-N 2.78Å; L485-L488 PolarHBondContact O-N 3.21Å; L485-L491 HydrophobicContact CD1-CD1 3.71Å; L485-L491 HydrophobicContact CD1-CD2 3.74Å; L485-L491 HydrophobicContact CD1-CG 4.38Å; L485-L491 HydrophobicContact CG-CD1 3.84Å; L485-Y497 HydrophobicContact CD1-CD1 4.08Å; L485-Y497 HydrophobicContact CD1-CD2 4.38Å; L485-Y497 HydrophobicContact CD1-CG 3.92Å; L485-F501 HydrophobicContact CD1-CB 4.38Å; L485-F501 HydrophobicContact CD1-CD1 3.88Å; L485-F501 HydrophobicContact CD1-CG 4.38Å; L485-F501 PolarHBondContact N-O 3.27Å
486N92Very high91.8Very high102 Ų10261.8 Ų61.855%0.54533%0.333SS..G310 helixtrans-69.8-14.8179.3-68.5-20.5000114.1P350 E484P350-N486 WeakPolarHBondContact CB-O 3.43Å; P350-N486 WeakPolarHBondContact CG-O 3.21Å; E484-N486 PolarHBondContact O-N 3.37Å; E484-N486 VanDerWaalsContact O-N 3.11Å
487D93.8Very high92.3Very high49 Ų4958.9 Ų58.926%0.26231%0.313SS..G310 helixtrans-93.7-5.3179.3-60.1-50.4000113.1P350 R354 L483 E484 L485P350-D487 VanDerWaalsContact CB-C 3.47Å; P350-D487 WeakPolarHBondContact CB-O 3.34Å; R354-D487 PolarHBondContact NH2-O 3.03Å; L483-D487 HydrophobicContact CB-CB 4.06Å; L483-D487 HydrophobicContact CD2-CB 3.91Å; E484-D487 PolarHBondContact N-OD2 2.93Å; E484-D487 WeakPolarHBondContact O-CB 3.19Å; E484-D487 PolarHBondContact O-N 3.17Å; L485-D487 PolarHBondContact O-N 2.78Å
488L94.8Very high92.6Very high4 Ų456 Ų562%0.02129%0.292CS..  trans-103.2146.8-173.7-59.4176.4000111.9P350 F465 F467 L483 E484 L485 L491 F501 V503P350-L488 WeakPolarHBondContact CG-O 3.49Å; F465-L488 HydrophobicContact CB-CB 4.28Å; F465-L488 HydrophobicContact CB-CD1 4.18Å; F465-L488 HydrophobicContact CD2-CD1 4.2Å; F465-L488 HydrophobicContact CD2-CD2 4.04Å; F465-L488 HydrophobicContact CG-CD1 4.09Å; F467-L488 HydrophobicContact CB-CD2 4.15Å; F467-L488 HydrophobicContact CD1-CD2 3.96Å; F467-L488 HydrophobicContact CG-CD2 4.38Å; L483-L488 HydrophobicContact CB-CD2 4.16Å; L483-L488 HydrophobicContact CD1-CD2 4.21Å; E484-L488 WeakPolarHBondContact O-CG 3.44Å; L485-L488 PolarHBondContact O-N 3.21Å; L488-L491 HydrophobicContact CB-CD2 3.97Å; L488-L491 HydrophobicContact CB-CG 4.46Å; L488-L491 HydrophobicContact CD1-CD2 4.42Å; L488-F501 HydrophobicContact CD1-CD1 4.08Å; L488-F501 HydrophobicContact CD1-CE1 3.8Å; L488-V503 HydrophobicContact CD1-CG2 3.74Å; L488-V503 HydrophobicContact CD2-CG2 4.34Å
489C92.3Very high92.7Very high4 Ų458 Ų583%0.02730%0.301CS..BIsolated β-bridgetrans-106.5165.2178.5-53.70000110.6S351 F465 Q466 L491S351-C489 VanDerWaalsContact CB-SG 3.54Å; S351-C489 PolarHBondContact N-SG 3.27Å; S351-C489 PolarHBondContact OG-SG 3.13Å; F465-C489 CarbonylContact C-O 3.54Å; F465-C489 WeakPolarHBondContact CA-O 3.41Å; Q466-C489 HydrophobicContact CB-CB 4.35Å; Q466-C489 PolarHBondContact N-O 2.75Å; Q466-C489 WeakPolarHBondContact O-CA 3.43Å; Q466-C489 WeakPolarHBondContact O-CB 3.47Å; Q466-C489 PolarHBondContact O-N 2.88Å; C489-L491 VanDerWaalsContact C-N 3.26Å; C489-L491 PolarHBondContact O-N 3.41Å
490C86.9Confident92.7Very high63 Ų6357.6 Ų57.643%0.42630%0.304SS..SBendtrans54.740.2173.9-55.30000113.5Q466Q466-C490 HydrophobicContact CB-CB 4.27Å
491L90.9Very high92.7Very high61 Ų6156.1 Ų56.132%0.31929%0.294SS..  trans-69.9142.3175.4-62.7172.9000110.4F465 L485 L488 C489 Y497F465-L491 HydrophobicContact CB-CD2 3.91Å; L485-L491 HydrophobicContact CD1-CD1 3.71Å; L485-L491 HydrophobicContact CD1-CD2 3.74Å; L485-L491 HydrophobicContact CD1-CG 4.38Å; L485-L491 HydrophobicContact CG-CD1 3.84Å; L488-L491 HydrophobicContact CB-CD2 3.97Å; L488-L491 HydrophobicContact CB-CG 4.46Å; L488-L491 HydrophobicContact CD1-CD2 4.42Å; C489-L491 VanDerWaalsContact C-N 3.26Å; C489-L491 PolarHBondContact O-N 3.41Å; L491-Y497 WeakPolarHBondContact CA-OH 3.4Å; L491-Y497 HydrophobicContact CB-CE2 4.32Å; L491-Y497 HydrophobicContact CD2-CE1 3.97Å; L491-Y497 HydrophobicContact CD2-CE2 4.35Å
492A89Confident92.7Very high28 Ų2856 Ų5623%0.23130%0.295CS..  trans-75.5-166.5164.300000110.1F388 D494 K496 Y497F388-A492 HydrophobicContact CE1-CB 3.89Å; F388-A492 HydrophobicContact CZ-CB 3.7Å; A492-D494 PolarHBondContact O-N 3.39Å; A492-K496 HydrophobicContact CB-CD 3.83Å; A492-Y497 HydrophobicContact CB-CE2 4.13Å; A492-Y497 WeakPolarHBondContact CB-OH 3.18Å; A492-Y497 PolarHBondContact N-OH 2.87Å
493E88.7Confident92.8Very high101 Ų10153.1 Ų53.147%0.47228%0.278SS..  trans-61.1135179.5-52.690.4149.500111.9W495 K496E493-W495 PolarHBondContact O-N 3.25Å; E493-K496 WeakPolarHBondContact O-CB 3.32Å; E493-K496 PolarHBondContact O-N 2.94Å; E493-K496 IonicContact OE1-NZ 3.9Å; E493-K496 WeakPolarHBondContact OE2-CD 3.47Å; E493-K496 WeakPolarHBondContact OE2-CE 3.3Å; E493-K496 IonicContact OE2-NZ 3.27Å; E493-K496 PolarHBondContact OE2-NZ 3.3Å
494D87.9Confident92.8Very high105 Ų10558.7 Ų58.756%0.56130%0.298SS*.G310 helixtrans-47.3-38-174.9-78.516.3000114.8A492 K496 Y497A492-D494 PolarHBondContact O-N 3.39Å; D494-K496 PolarHBondContact O-N 3.42Å; D494-K496 VanDerWaalsContact O-N 3.17Å; D494-Y497 PolarHBondContact O-N 2.61Å; D494-Y497 VanDerWaalsContact O-N 3.14Å
495W90.5Very high92.9Very high106 Ų10654.4 Ų54.440%0.40228%0.278SS..G310 helixtrans-65.5-17.5-17867.1-96.1000113.3I387 R392 E493 Y497I387-W495 HydrophobicContact CD1-CE3 3.83Å; I387-W495 HydrophobicContact CD1-CZ3 3.8Å; I387-W495 HydrophobicContact CG1-CE3 4.36Å; I387-W495 HydrophobicContact CG1-CZ3 4.07Å; R392-W495 HydrophobicContact CG-CH2 4.26Å; R392-W495 HydrophobicContact CG-CZ3 4.02Å; R392-W495 VanDerWaalsContact NH1-CE3 3.25Å; E493-W495 PolarHBondContact O-N 3.25Å; W495-Y497 PolarHBondContact O-N 2.96Å
496K94.5Very high93.2Very high34 Ų3453.6 Ų53.615%0.14828%0.275CS..G310 helixtrans-73.7-12.4176.2-71.6178174.4164.50113.7P386 I387 F388 A492 E493 D494P386-K496 WeakPolarHBondContact CA-O 3.38Å; P386-K496 WeakPolarHBondContact CB-O 3.28Å; I387-K496 WeakPolarHBondContact CG1-O 3.41Å; I387-K496 PolarHBondContact N-O 3.13Å; F388-K496 HydrophobicContact CD1-CD 4.45Å; F388-K496 HydrophobicContact CD2-CB 4.47Å; F388-K496 HydrophobicContact CE1-CD 4.16Å; F388-K496 HydrophobicContact CE2-CB 4.03Å; F388-K496 HydrophobicContact CE2-CD 4.37Å; F388-K496 HydrophobicContact CZ-CB 4.41Å; F388-K496 HydrophobicContact CZ-CD 4.11Å; A492-K496 HydrophobicContact CB-CD 3.83Å; E493-K496 WeakPolarHBondContact O-CB 3.32Å; E493-K496 PolarHBondContact O-N 2.94Å; E493-K496 IonicContact OE1-NZ 3.9Å; E493-K496 WeakPolarHBondContact OE2-CD 3.47Å; E493-K496 WeakPolarHBondContact OE2-CE 3.3Å; E493-K496 IonicContact OE2-NZ 3.27Å; E493-K496 PolarHBondContact OE2-NZ 3.3Å; D494-K496 PolarHBondContact O-N 3.42Å; D494-K496 VanDerWaalsContact O-N 3.17Å
497Y95.4Very high93.3Very high5 Ų549.2 Ų49.22%0.0225%0.251CS..SBendtrans-115.6102.7-176.4-53.1-89.5000109.7P386 F388 M464 L485 L491 A492 D494 W495 K499 F501P386-Y497 HydrophobicContact CB-CD1 4.34Å; F388-Y497 AromaticContact CE2-CE1 3.95Å; F388-Y497 HydrophobicContact CE2-CE1 3.95Å; F388-Y497 AromaticContact CE2-CZ 3.95Å; F388-Y497 HydrophobicContact CZ-CE1 4.2Å; F388-Y497 AromaticContact CZ-CZ 3.8Å; F388-Y497 WeakPolarHBondContact CZ-OH 3.27Å; M464-Y497 PolarHBondContact O-OH 3.11Å; L485-Y497 HydrophobicContact CD1-CD1 4.08Å; L485-Y497 HydrophobicContact CD1-CD2 4.38Å; L485-Y497 HydrophobicContact CD1-CG 3.92Å; L491-Y497 WeakPolarHBondContact CA-OH 3.4Å; L491-Y497 HydrophobicContact CB-CE2 4.32Å; L491-Y497 HydrophobicContact CD2-CE1 3.97Å; L491-Y497 HydrophobicContact CD2-CE2 4.35Å; A492-Y497 HydrophobicContact CB-CE2 4.13Å; A492-Y497 WeakPolarHBondContact CB-OH 3.18Å; A492-Y497 PolarHBondContact N-OH 2.87Å; D494-Y497 PolarHBondContact O-N 2.61Å; D494-Y497 VanDerWaalsContact O-N 3.14Å; W495-Y497 PolarHBondContact O-N 2.96Å; Y497-K499 PolarHBondContact O-N 3.05Å; Y497-F501 HydrophobicContact CD1-CD1 4.16Å; Y497-F501 HydrophobicContact CD1-CD2 4.2Å; Y497-F501 AromaticContact CD1-CE1 3.94Å; Y497-F501 HydrophobicContact CD1-CE1 3.94Å; Y497-F501 AromaticContact CD1-CE2 3.98Å; Y497-F501 HydrophobicContact CD1-CE2 3.98Å; Y497-F501 HydrophobicContact CD1-CG 4.28Å; Y497-F501 AromaticContact CD1-CZ 3.84Å; Y497-F501 HydrophobicContact CD1-CZ 3.84Å; Y497-F501 HydrophobicContact CE1-CE1 4.44Å; Y497-F501 HydrophobicContact CE1-CZ 4.36Å
498P92.7Very high93.2Very high43 Ų4349.2 Ų49.228%0.27926%0.255SS..PPolyproline II helixtrans-61.4134.6174.7-19.231000110.6P384 V385 P500 F501P384-P498 HydrophobicContact CB-CB 3.95Å; P384-P498 HydrophobicContact CB-CG 4.24Å; P384-P498 HydrophobicContact CG-CB 4.15Å; V385-P498 WeakPolarHBondContact O-CG 3.32Å; P498-P500 CarbonylContact O-C 3.49Å; P498-F501 WeakPolarHBondContact O-CB 3.47Å; P498-F501 PolarHBondContact O-N 2.91Å
499K91.3Very high92.6Very high151 Ų15150.4 Ų50.466%0.65727%0.265SS*.SBendtrans-94.9138.8-178.7-63.8-179-178178.70110.4Y497Y497-K499 PolarHBondContact O-N 3.05Å
500P93.4Very high91.3Very high104 Ų10453.2 Ų53.268%0.67528%0.28SS*.SBendcis-79.1130.30.731.7-33.1000112.1P384 P498P384-P500 WeakPolarHBondContact CD-O 3.49Å; P498-P500 CarbonylContact O-C 3.49Å
501F95Very high89.9Confident7 Ų758.4 Ų58.43%0.03130%0.298CS..PPolyproline II helixtrans-98.4121.8179.6-171.5-99.1000111V382 P384 P386 F465 L485 L488 Y497 P498 V503V382-F501 HydrophobicContact CG1-CE1 4.34Å; V382-F501 HydrophobicContact CG1-CE2 3.6Å; V382-F501 HydrophobicContact CG1-CZ 3.43Å; V382-F501 VanDerWaalsContact CG1-CZ 3.43Å; P384-F501 WeakPolarHBondContact O-CE2 3.33Å; P386-F501 HydrophobicContact CB-CE2 3.97Å; P386-F501 HydrophobicContact CB-CZ 4.48Å; P386-F501 HydrophobicContact CG-CE2 4.19Å; P386-F501 HydrophobicContact CG-CZ 4.46Å; F465-F501 HydrophobicContact CD1-CE1 4.21Å; F465-F501 HydrophobicContact CD1-CZ 4.21Å; F465-F501 HydrophobicContact CE1-CE1 4.21Å; F465-F501 AromaticContact CE1-CZ 3.94Å; F465-F501 HydrophobicContact CE1-CZ 3.94Å; L485-F501 HydrophobicContact CD1-CB 4.38Å; L485-F501 HydrophobicContact CD1-CD1 3.88Å; L485-F501 HydrophobicContact CD1-CG 4.38Å; L485-F501 PolarHBondContact N-O 3.27Å; L488-F501 HydrophobicContact CD1-CD1 4.08Å; L488-F501 HydrophobicContact CD1-CE1 3.8Å; Y497-F501 HydrophobicContact CD1-CD1 4.16Å; Y497-F501 HydrophobicContact CD1-CD2 4.2Å; Y497-F501 AromaticContact CD1-CE1 3.94Å; Y497-F501 HydrophobicContact CD1-CE1 3.94Å; Y497-F501 AromaticContact CD1-CE2 3.98Å; Y497-F501 HydrophobicContact CD1-CE2 3.98Å; Y497-F501 HydrophobicContact CD1-CG 4.28Å; Y497-F501 AromaticContact CD1-CZ 3.84Å; Y497-F501 HydrophobicContact CD1-CZ 3.84Å; Y497-F501 HydrophobicContact CE1-CE1 4.44Å; Y497-F501 HydrophobicContact CE1-CZ 4.36Å; P498-F501 WeakPolarHBondContact O-CB 3.47Å; P498-F501 PolarHBondContact O-N 2.91Å; F501-V503 HydrophobicContact CD1-CG2 4.43Å; F501-V503 HydrophobicContact CE1-CG2 3.74Å; F501-V503 HydrophobicContact CZ-CG2 4.34Å
502V96.9Very high88Confident30 Ų3063.2 Ų63.218%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-132.5133.3-173.1-175.90000111.1S383 T482 R504S383-V502 PolarHBondContact N-O 3.34Å; S383-V502 PolarHBondContact O-N 2.83Å; T482-V502 HydrophobicContact CG2-CG1 3.47Å; T482-V502 VanDerWaalsContact CG2-CG1 3.47Å; V502-R504 HydrophobicContact CG1-CG 4.2Å
503V97.8Very high86.1Confident0 Ų066.9 Ų66.90%034%0.336CS..EExtended strand (participates in β ladder)trans-115.2131.7175.3179.20000109.1I380 S381 V382 F465 F467 T482 L483 L488 F501I380-V503 HydrophobicContact CG2-CG1 3.94Å; S381-V503 CarbonylContact O-C 3.58Å; S381-V503 WeakPolarHBondContact O-CA 3.43Å; V382-V503 HydrophobicContact CG1-CG2 4.45Å; V382-V503 HydrophobicContact CG2-CG1 4.48Å; V382-V503 HydrophobicContact CG2-CG2 4.29Å; F465-V503 HydrophobicContact CD2-CG2 4.45Å; F465-V503 HydrophobicContact CE1-CG2 4.24Å; F465-V503 HydrophobicContact CE2-CG1 3.96Å; F465-V503 HydrophobicContact CE2-CG2 3.81Å; F465-V503 HydrophobicContact CZ-CG1 4.24Å; F465-V503 HydrophobicContact CZ-CG2 3.69Å; F467-V503 HydrophobicContact CE1-CG1 4.21Å; T482-V503 CarbonylContact C-O 3.57Å; L483-V503 HydrophobicContact CB-CB 4.38Å; L483-V503 PolarHBondContact N-O 2.8Å; L483-V503 PolarHBondContact O-N 2.92Å; L488-V503 HydrophobicContact CD1-CG2 3.74Å; L488-V503 HydrophobicContact CD2-CG2 4.34Å; F501-V503 HydrophobicContact CD1-CG2 4.43Å; F501-V503 HydrophobicContact CE1-CG2 3.74Å; F501-V503 HydrophobicContact CZ-CG2 4.34Å
504R98Very high84.1Confident122 Ų12269.2 Ų69.246%0.4635%0.347SS..EExtended strand (participates in β ladder)trans-123.5119-179.9-63.5-179.3-172.3-92.76.5110.5I380 S381 T480 L481 T482 V502I380-R504 CarbonylContact C-O 3.47Å; I380-R504 WeakPolarHBondContact CA-O 3.39Å; S381-R504 PolarHBondContact N-O 2.9Å; S381-R504 PolarHBondContact O-N 3.25Å; T480-R504 HydrophobicContact CG2-CB 3.84Å; T480-R504 HydrophobicContact CG2-CG 4.27Å; L481-R504 CarbonylContact O-C 3.56Å; L481-R504 VanDerWaalsContact O-CA 3.28Å; L481-R504 WeakPolarHBondContact O-CA 3.47Å; T482-R504 HydrophobicContact CG2-CG 4.17Å; T482-R504 PolarHBondContact OG1-NH1 2.69Å; V502-R504 HydrophobicContact CG1-CG 4.2Å
505L97.7Very high82.1Confident0 Ų069.5 Ų69.50%035%0.347CS..EExtended strand (participates in β ladder)trans-96.3115.4171.8175.370.5000108.7A377 I380 F432 F442 F467 T480 L481A377-L505 HydrophobicContact CB-CD1 4.16Å; I380-L505 HydrophobicContact CD1-CD1 4.33Å; I380-L505 HydrophobicContact CG1-CD1 3.71Å; F432-L505 HydrophobicContact CZ-CD1 3.85Å; F442-L505 HydrophobicContact CD1-CD1 4.44Å; F442-L505 HydrophobicContact CE1-CD1 3.82Å; F442-L505 HydrophobicContact CE1-CD2 4.44Å; F442-L505 HydrophobicContact CE2-CD2 4.12Å; F442-L505 HydrophobicContact CZ-CD1 4.08Å; F442-L505 HydrophobicContact CZ-CD2 3.91Å; F467-L505 HydrophobicContact CE2-CD2 4.27Å; T480-L505 CarbonylContact C-O 3.56Å; T480-L505 VanDerWaalsContact CA-O 3.31Å; T480-L505 WeakPolarHBondContact CA-O 3.46Å; L481-L505 HydrophobicContact CB-CB 4.3Å; L481-L505 PolarHBondContact N-O 3.09Å; L481-L505 PolarHBondContact O-N 3.12Å
506A97Very high79.7Confident7 Ų776.7 Ų76.76%0.05838%0.375CS..EExtended strand (participates in β ladder)trans-85.6133173.600000110.3S378 R379 N479S378-A506 PolarHBondContact N-O 3.47Å; S378-A506 WeakPolarHBondContact OG-CB 3.44Å; S378-A506 PolarHBondContact OG-O 3.34Å; R379-A506 HydrophobicContact CG-CB 3.55Å; R379-A506 PolarHBondContact O-N 3.49Å; N479-A506 CarbonylContact O-C 3.56Å; N479-A506 VanDerWaalsContact O-CA 3.31Å; N479-A506 WeakPolarHBondContact O-CA 3.43Å
507Y94.7Very high76.8Confident10 Ų1077.8 Ų77.84%0.03940%0.396CS..EExtended strand (participates in β ladder)trans-146.6161.4-179.268.8-92.2000111.5V375 L376 L474 D475 K478 N479 L481V375-Y507 HydrophobicContact CG1-CD2 3.94Å; V375-Y507 HydrophobicContact CG1-CG 4.08Å; L376-Y507 CarbonylContact O-C 3.4Å; L376-Y507 WeakPolarHBondContact O-CA 3.25Å; L474-Y507 HydrophobicContact CB-CD2 4.4Å; L474-Y507 HydrophobicContact CB-CE2 3.87Å; L474-Y507 HydrophobicContact CD1-CD1 4.44Å; L474-Y507 HydrophobicContact CD1-CD2 4.42Å; L474-Y507 HydrophobicContact CD1-CG 4.34Å; L474-Y507 HydrophobicContact CD2-CE1 4.2Å; D475-Y507 PolarHBondContact N-OH 3.27Å; D475-Y507 WeakPolarHBondContact O-CE2 3.31Å; D475-Y507 PolarHBondContact O-OH 2.85Å; K478-Y507 WeakPolarHBondContact CB-OH 3.47Å; K478-Y507 WeakPolarHBondContact O-CE2 3.28Å; N479-Y507 CarbonylContact C-O 3.58Å; N479-Y507 WeakPolarHBondContact CA-O 3.35Å; N479-Y507 PolarHBondContact O-N 3.5Å; N479-Y507 VanDerWaalsContact O-O 3.08Å; L481-Y507 HydrophobicContact CB-CD1 4.37Å; L481-Y507 HydrophobicContact CB-CE1 3.93Å
508S91.9Very high73.9Confident49 Ų4980.9 Ų80.934%0.34343%0.429SS..EExtended strand (participates in β ladder)trans-134.1141.9168.559.10000109.7L376L376-S508 PolarHBondContact N-O 2.79Å; L376-S508 PolarHBondContact O-N 3.13Å
509A81.3Confident71.4Confident29 Ų2983.7 Ų83.724%0.2445%0.449CS..EExtended strand (participates in β ladder)trans-84124.9165.300000107.6P476P476-A509 HydrophobicContact CB-CB 3.79Å
510N66.4Low69.2Low63 Ų6380.7 Ų80.734%0.33745%0.453SS..  trans-81.5120.3173.2-87.58.3000108.9R374 D512R374-N510 PolarHBondContact O-N 3.44Å; N510-D512 VanDerWaalsContact C-N 3.34Å
511E56.6Low67.4Low171 Ų17178.4 Ų78.480%0.79944%0.44SS*.SBendtrans-73.1-27.8175.6-63.2-175.4162.300111.9E513E511-E513 PolarHBondContact O-N 2.8Å
512D51.6Low65.7Low162 Ų16280.2 Ų80.287%0.86645%0.449SS*.THydrogen-bonded Turntrans-80.5-6.4-166.2-66.4-40000116.4N510N510-D512 VanDerWaalsContact C-N 3.34Å
513E48.9Very low63.8Low106 Ų10679.8 Ų79.850%0.49545%0.446SS..THydrogen-bonded Turntrans-127.439.3178.2-84.7-172.5158.200112.2E511 I515E511-E513 PolarHBondContact O-N 2.8Å; E513-I515 PolarHBondContact O-N 2.52Å
514Q46.9Very low61.6Low150 Ų15084.5 Ų84.570%0.70148%0.477SS*.  trans-65.184.7161-79.5-171.72.500109.2R516Q514-R516 PolarHBondContact O-N 2.86Å
515I46.1Very low59.5Low110 Ų11086.4 Ų86.456%0.56450%0.496SS*.  trans-59.6109.2171.7-62.8175.8000107.2E513 G517E513-I515 PolarHBondContact O-N 2.52Å; I515-G517 PolarHBondContact O-N 3.08Å
516R38.7Very low57.6Low258 Ų25887.5 Ų87.597%0.97450%0.5SS*.SBendtrans-55.884.1154.1-72.8-177.7-176.6-170.60.8107.5Q514Q514-R516 PolarHBondContact O-N 2.86Å
517G35.1Very low56.2Low57 Ų5794.7 Ų94.759%0.58853%0.531SS*.SBendtrans174.383.2-174.700000113I515I515-G517 PolarHBondContact O-N 3.08Å
518G34.9Very low54.7Low70 Ų7095 Ų9572%0.72253%0.534SS*.  trans71.883.9157.500000116.2A520G518-A520 PolarHBondContact O-N 2.87Å
519S40Very low53.5Low101 Ų10199.4 Ų99.471%0.70655%0.553SS**  trans-59.791.6136.7-177.80000105.1S521S519-S521 PolarHBondContact O-N 2.95Å
520A44.9Very low53.1Low88 Ų88101 Ų10173%0.72756%0.563SS**  trans-58.696.6160.800000103.3G518 L522G518-A520 PolarHBondContact O-N 2.87Å; A520-L522 PolarHBondContact O-N 3.29Å
521S54.6Low53.7Low57 Ų5798.5 Ų98.540%0.39955%0.55SS..  trans-44.1124.7-176.9174.10000106.5S519 L523 P524S519-S521 PolarHBondContact O-N 2.95Å; S521-L523 PolarHBondContact O-N 3.27Å; S521-L523 PolarHBondContact OG-N 2.89Å; S521-L523 PolarHBondContact OG-O 3.11Å; S521-P524 WeakPolarHBondContact O-CD 3.31Å; S521-P524 WeakPolarHBondContact O-CG 3.31Å
522L59.1Low54.9Low44 Ų4493.5 Ų93.523%0.2353%0.531CS..SBendtrans-52.5-16.1173.3-71.3-178.1000111.2L283 K284 F287 P370 A520L283-L522 HydrophobicContact CB-CD1 4.44Å; K284-L522 HydrophobicContact CB-CD2 4.46Å; F287-L522 HydrophobicContact CD2-CB 4.08Å; F287-L522 HydrophobicContact CD2-CD1 3.94Å; F287-L522 HydrophobicContact CE2-CB 4.49Å; F287-L522 HydrophobicContact CE2-CD1 3.82Å; P370-L522 VanDerWaalsContact CD-CD1 3.49Å; P370-L522 HydrophobicContact CG-CD1 3.65Å; P370-L522 HydrophobicContact CG-CG 4.17Å; A520-L522 PolarHBondContact O-N 3.29Å
523L57.1Low56.6Low21 Ų2187.8 Ų87.811%0.1150%0.503CS..SBendtrans-134.673.4-179-70.7176.9000109.7F287 F325 S521 N525 F526F287-L523 HydrophobicContact CB-CD2 4.08Å; F287-L523 HydrophobicContact CD1-CD1 4.2Å; F287-L523 HydrophobicContact CD1-CD2 3.62Å; F287-L523 HydrophobicContact CD1-CG 4.06Å; F287-L523 HydrophobicContact CE1-CD1 4.1Å; F287-L523 HydrophobicContact CE1-CD2 4.36Å; F287-L523 HydrophobicContact CE1-CG 4.42Å; F287-L523 HydrophobicContact CG-CD2 4.07Å; F287-L523 HydrophobicContact CG-CG 4.46Å; F325-L523 HydrophobicContact CE2-CD2 4.41Å; S521-L523 PolarHBondContact O-N 3.27Å; S521-L523 PolarHBondContact OG-N 2.89Å; S521-L523 PolarHBondContact OG-O 3.11Å; L523-N525 PolarHBondContact O-N 2.9Å; L523-F526 HydrophobicContact CB-CB 3.88Å; L523-F526 HydrophobicContact CD1-CB 4.31Å; L523-F526 HydrophobicContact CD1-CD1 3.69Å; L523-F526 HydrophobicContact CD1-CE1 4.46Å; L523-F526 HydrophobicContact CD1-CG 4.41Å; L523-F526 HydrophobicContact CD2-CB 3.65Å; L523-F526 HydrophobicContact CD2-CD1 3.98Å; L523-F526 HydrophobicContact CD2-CG 3.97Å; L523-F526 HydrophobicContact CG-CB 4.12Å; L523-F526 HydrophobicContact CG-CD1 4.31Å
524P52Low58.5Low100 Ų10087.1 Ų87.165%0.64950%0.5SS*.THydrogen-bonded Turntrans-58.1-24.5-176-19.930.9000113S521S521-P524 WeakPolarHBondContact O-CD 3.31Å; S521-P524 WeakPolarHBondContact O-CG 3.31Å
525N53.6Low60.7Low162 Ų16281 Ų8187%0.86647%0.471SS*.THydrogen-bonded Turntrans-136.79.2-172.5-66.6-41000114.7L523L523-N525 PolarHBondContact O-N 2.9Å
526F58.9Low63Low22 Ų2275.8 Ų75.810%0.09645%0.445CS..  trans-103.8125.6-174.2-175.8-97000111.2Y294 F325 L363 L523 P528 V531Y294-F526 HydrophobicContact CD1-CE2 4.44Å; F325-F526 HydrophobicContact CD1-CZ 4.03Å; F325-F526 HydrophobicContact CD2-CE1 4.22Å; F325-F526 HydrophobicContact CD2-CZ 4.17Å; F325-F526 HydrophobicContact CE1-CD2 4.47Å; F325-F526 HydrophobicContact CE1-CE1 4.17Å; F325-F526 AromaticContact CE1-CE2 3.45Å; F325-F526 HydrophobicContact CE1-CE2 3.45Å; F325-F526 VanDerWaalsContact CE1-CE2 3.45Å; F325-F526 AromaticContact CE1-CZ 3.22Å; F325-F526 HydrophobicContact CE1-CZ 3.22Å; F325-F526 HydrophobicContact CE2-CD1 4.08Å; F325-F526 HydrophobicContact CE2-CD2 4.5Å; F325-F526 AromaticContact CE2-CE1 3.45Å; F325-F526 HydrophobicContact CE2-CE1 3.45Å; F325-F526 VanDerWaalsContact CE2-CE1 3.45Å; F325-F526 AromaticContact CE2-CE2 3.99Å; F325-F526 HydrophobicContact CE2-CE2 3.99Å; F325-F526 AromaticContact CE2-CZ 3.38Å; F325-F526 HydrophobicContact CE2-CZ 3.38Å; F325-F526 HydrophobicContact CG-CZ 4.46Å; F325-F526 HydrophobicContact CZ-CD1 4.11Å; F325-F526 AromaticContact CZ-CD2 3.76Å; F325-F526 HydrophobicContact CZ-CD2 3.76Å; F325-F526 AromaticContact CZ-CE1 3.48Å; F325-F526 HydrophobicContact CZ-CE1 3.48Å; F325-F526 VanDerWaalsContact CZ-CE1 3.48Å; F325-F526 AromaticContact CZ-CE2 3.1Å; F325-F526 HydrophobicContact CZ-CE2 3.1Å; F325-F526 HydrophobicContact CZ-CG 4.21Å; F325-F526 AromaticContact CZ-CZ 2.88Å; F325-F526 HydrophobicContact CZ-CZ 2.88Å; L363-F526 HydrophobicContact CD2-CE1 4.49Å; L523-F526 HydrophobicContact CB-CB 3.88Å; L523-F526 HydrophobicContact CD1-CB 4.31Å; L523-F526 HydrophobicContact CD1-CD1 3.69Å; L523-F526 HydrophobicContact CD1-CE1 4.46Å; L523-F526 HydrophobicContact CD1-CG 4.41Å; L523-F526 HydrophobicContact CD2-CB 3.65Å; L523-F526 HydrophobicContact CD2-CD1 3.98Å; L523-F526 HydrophobicContact CD2-CG 3.97Å; L523-F526 HydrophobicContact CG-CB 4.12Å; L523-F526 HydrophobicContact CG-CD1 4.31Å; F526-P528 HydrophobicContact CD1-CG 4.31Å; F526-P528 HydrophobicContact CE1-CB 4.43Å; F526-P528 HydrophobicContact CE1-CG 4.47Å; F526-P528 WeakPolarHBondContact O-CD 3.4Å; F526-V531 HydrophobicContact CE1-CG2 3.64Å; F526-V531 HydrophobicContact CE2-CG2 3.81Å; F526-V531 HydrophobicContact CZ-CB 4.4Å; F526-V531 HydrophobicContact CZ-CG2 3.05Å
527K66.3Low65.7Low159 Ų15963.9 Ų63.969%0.69140%0.4SS*.  trans-99.1106.2174.9-67.2-176-179.5-177.40108.9D529 S530K527-D529 PolarHBondContact O-N 3.3Å; K527-S530 WeakPolarHBondContact O-CB 3.31Å; K527-S530 PolarHBondContact O-N 2.89Å; K527-S530 PolarHBondContact O-OG 2.7Å
528P63.3Low68.4Low17 Ų1764.9 Ų64.911%0.1140%0.398CS..G310 helixtrans-56.9-25.6-176.4-24.533.7000114.3K327 L363 F526 S530 V531K327-P528 VanDerWaalsContact CE-O 3.27Å; K327-P528 WeakPolarHBondContact CE-O 3.21Å; K327-P528 PolarHBondContact NZ-O 3.03Å; K327-P528 VanDerWaalsContact NZ-O 3.14Å; L363-P528 HydrophobicContact CD2-CB 4.22Å; F526-P528 HydrophobicContact CD1-CG 4.31Å; F526-P528 HydrophobicContact CE1-CB 4.43Å; F526-P528 HydrophobicContact CE1-CG 4.47Å; F526-P528 WeakPolarHBondContact O-CD 3.4Å; P528-S530 VanDerWaalsContact C-N 3.32Å; P528-V531 VanDerWaalsContact O-CG2 3.3Å; P528-V531 WeakPolarHBondContact O-CG2 3.11Å
529D66.4Low71Confident140 Ų14063.3 Ų63.375%0.74938%0.376SS*.G310 helixtrans-79.2-15.9179.8-60.7-36000113.6K327 K527 V531K327-D529 IonicContact NZ-OD1 3.7Å; K327-D529 PolarHBondContact NZ-OD1 2.91Å; K527-D529 PolarHBondContact O-N 3.3Å; D529-V531 VanDerWaalsContact C-N 3.26Å; D529-V531 PolarHBondContact O-N 3.33Å
530S73.2Confident73.4Confident64 Ų6461.6 Ų61.645%0.44836%0.362SS..G310 helixtrans-84.71.6177.770.40000114.1Y294 K527 P528Y294-S530 PolarHBondContact OH-O 3.08Å; K527-S530 WeakPolarHBondContact O-CB 3.31Å; K527-S530 PolarHBondContact O-N 2.89Å; K527-S530 PolarHBondContact O-OG 2.7Å; P528-S530 VanDerWaalsContact C-N 3.32Å
531V79.4Confident75.5Confident9 Ų963.6 Ų63.66%0.05536%0.356CS..  trans-87.1126.6-171.5-1690000110Y294 C326 F526 P528 D529 P533Y294-V531 HydrophobicContact CD2-CG1 4.19Å; Y294-V531 HydrophobicContact CE2-CG1 3.66Å; C326-V531 HydrophobicContact CB-CG1 4.39Å; F526-V531 HydrophobicContact CE1-CG2 3.64Å; F526-V531 HydrophobicContact CE2-CG2 3.81Å; F526-V531 HydrophobicContact CZ-CB 4.4Å; F526-V531 HydrophobicContact CZ-CG2 3.05Å; P528-V531 VanDerWaalsContact O-CG2 3.3Å; P528-V531 WeakPolarHBondContact O-CG2 3.11Å; D529-V531 VanDerWaalsContact C-N 3.26Å; D529-V531 PolarHBondContact O-N 3.33Å; V531-P533 WeakPolarHBondContact O-CD 3.36Å
532V83Confident77.3Confident66 Ų6663.6 Ų63.640%0.435%0.35SS..  trans-89.7120.7-178.8-173.80000109.7Q534 M535V532-Q534 HydrophobicContact CG1-CB 4.07Å; V532-Q534 HydrophobicContact CG1-CG 4.47Å; V532-Q534 PolarHBondContact O-N 2.79Å; V532-Q534 VanDerWaalsContact O-N 3.11Å; V532-M535 WeakPolarHBondContact O-CB 3.5Å; V532-M535 PolarHBondContact O-N 2.92Å; V532-M535 VanDerWaalsContact O-N 3.08Å
533P87.2Confident78.8Confident42 Ų4261.6 Ų61.627%0.27334%0.34SS..THydrogen-bonded Turntrans-63.4-18-179.3-23.133.6000115.7C326 K327 S328 V531 M535 P536 F537C326-P533 WeakPolarHBondContact O-CA 3.35Å; K327-P533 HydrophobicContact CB-CG 4.47Å; S328-P533 PolarHBondContact OG-O 3.23Å; V531-P533 WeakPolarHBondContact O-CD 3.36Å; P533-M535 VanDerWaalsContact C-N 3.31Å; P533-P536 WeakPolarHBondContact O-CD 3.44Å; P533-F537 WeakPolarHBondContact O-CE2 3.09Å
534Q88.6Confident80.4Confident93 Ų9363.2 Ų63.244%0.43536%0.357SS..THydrogen-bonded Turntrans-79.2-11.6177.8-59.6179.35.300113V532 P536 F537V532-Q534 HydrophobicContact CG1-CB 4.07Å; V532-Q534 HydrophobicContact CG1-CG 4.47Å; V532-Q534 PolarHBondContact O-N 2.79Å; V532-Q534 VanDerWaalsContact O-N 3.11Å; Q534-P536 VanDerWaalsContact C-N 3.33Å; Q534-F537 PolarHBondContact O-N 3.04Å
535M92.3Very high82.2Confident22 Ų2262.1 Ų62.111%0.10835%0.35CS..THydrogen-bonded Turntrans-53.3-38.8-174.3-167.462.26400114.8R223 Y294 L297 R298 V532 P533 F537R223-M535 PolarHBondContact NH1-O 3.2Å; R223-M535 VanDerWaalsContact NH1-O 3.15Å; Y294-M535 HydrophobicContact CD2-CB 4.33Å; Y294-M535 HydrophobicContact CD2-CE 4.46Å; Y294-M535 HydrophobicContact CD2-CG 3.81Å; Y294-M535 HydrophobicContact CE2-CB 4.07Å; Y294-M535 HydrophobicContact CE2-CE 3.76Å; Y294-M535 HydrophobicContact CE2-CG 3.84Å; L297-M535 HydrophobicContact CB-CG 4.01Å; L297-M535 HydrophobicContact CB-SD 3.9Å; L297-M535 HydrophobicContact CD1-CG 4.41Å; R298-M535 HydrophobicContact CB-CE 4.03Å; R298-M535 HydrophobicContact CB-SD 4.28Å; R298-M535 HydrophobicContact CG-CE 4.22Å; V532-M535 WeakPolarHBondContact O-CB 3.5Å; V532-M535 PolarHBondContact O-N 2.92Å; V532-M535 VanDerWaalsContact O-N 3.08Å; P533-M535 VanDerWaalsContact C-N 3.31Å; M535-F537 PolarHBondContact O-N 2.82Å
536P93.9Very high84Confident0 Ų055.1 Ų55.10%031%0.312CS..THydrogen-bonded Turntrans-70.4-5.6176.8-20.535.2000115.2T221 R223 L224 F322 L323 C326 P533 Q534T221-P536 VanDerWaalsContact CB-O 3.26Å; T221-P536 WeakPolarHBondContact CB-O 3.39Å; T221-P536 HydrophobicContact CG2-CB 4.4Å; T221-P536 PolarHBondContact OG1-O 3.07Å; R223-P536 WeakPolarHBondContact CB-O 3.39Å; L224-P536 HydrophobicContact CD1-CB 4.01Å; L224-P536 HydrophobicContact CG-CB 4.29Å; F322-P536 HydrophobicContact CD1-CG 4.4Å; F322-P536 HydrophobicContact CE1-CB 4.39Å; F322-P536 HydrophobicContact CE1-CG 3.96Å; L323-P536 HydrophobicContact CD2-CB 3.87Å; L323-P536 HydrophobicContact CD2-CG 3.97Å; C326-P536 HydrophobicContact CB-CG 3.85Å; P533-P536 WeakPolarHBondContact O-CD 3.44Å; Q534-P536 VanDerWaalsContact C-N 3.33Å
537F95.1Very high85.3Confident7 Ų757.7 Ų57.73%0.03132%0.324CS..SBendtrans-121.8153.6-169.6-50.7-79.3000110.6T221 R223 L323 P533 Q534 M535 E542 F546T221-F537 HydrophobicContact CG2-CD1 4.01Å; T221-F537 HydrophobicContact CG2-CE1 3.55Å; T221-F537 HydrophobicContact CG2-CZ 4.24Å; R223-F537 WeakPolarHBondContact CD-O 3.45Å; L323-F537 HydrophobicContact CD2-CZ 4.4Å; P533-F537 WeakPolarHBondContact O-CE2 3.09Å; Q534-F537 PolarHBondContact O-N 3.04Å; M535-F537 PolarHBondContact O-N 2.82Å; F537-E542 HydrophobicContact CB-CB 4.29Å; F537-E542 HydrophobicContact CB-CG 4.35Å; F537-E542 HydrophobicContact CD1-CB 4.46Å; F537-E542 HydrophobicContact CD1-CG 3.79Å; F537-E542 HydrophobicContact CG-CG 4.46Å; F537-F546 HydrophobicContact CE1-CB 3.7Å; F537-F546 HydrophobicContact CE1-CD1 4.11Å; F537-F546 AromaticContact CE1-CD2 3.49Å; F537-F546 HydrophobicContact CE1-CD2 3.49Å; F537-F546 VanDerWaalsContact CE1-CD2 3.49Å; F537-F546 HydrophobicContact CE1-CE2 4.03Å; F537-F546 AromaticContact CE1-CG 3.52Å; F537-F546 HydrophobicContact CE1-CG 3.52Å; F537-F546 HydrophobicContact CZ-CB 3.86Å; F537-F546 AromaticContact CZ-CD1 3.54Å; F537-F546 HydrophobicContact CZ-CD1 3.54Å; F537-F546 AromaticContact CZ-CD2 3.76Å; F537-F546 HydrophobicContact CZ-CD2 3.76Å; F537-F546 AromaticContact CZ-CE1 3.95Å; F537-F546 HydrophobicContact CZ-CE1 3.95Å; F537-F546 HydrophobicContact CZ-CE2 4.08Å; F537-F546 AromaticContact CZ-CG 3.45Å; F537-F546 HydrophobicContact CZ-CG 3.45Å; F537-F546 VanDerWaalsContact CZ-CG 3.45Å; F537-F546 HydrophobicContact CZ-CZ 4.21Å
538S92Very high86.3Confident78 Ų7858.3 Ų58.355%0.54533%0.33SS..SBendtrans-86.7-21.6179.7-59.90000111.7S222 R223 E542S222-S538 VanDerWaalsContact CB-OG 3.22Å; S222-S538 WeakPolarHBondContact CB-OG 3.36Å; S222-S538 VanDerWaalsContact OG-CB 3.3Å; S222-S538 WeakPolarHBondContact OG-CB 3.33Å; S222-S538 PolarHBondContact OG-N 2.94Å; S222-S538 PolarHBondContact OG-OG 2.82Å; R223-S538 WeakPolarHBondContact CG-OG 3.43Å; S538-E542 PolarHBondContact N-OE2 3.34Å; S538-E542 VanDerWaalsContact N-OE2 3.08Å
539S90.9Very high87.4Confident38 Ų3865.4 Ų65.427%0.26635%0.354SS..SBendtrans-138.1150.8178.598.30000112.3E541 E542 S543S539-E541 WeakPolarHBondContact CB-OE2 3.23Å; S539-E541 PolarHBondContact O-N 2.88Å; S539-E541 PolarHBondContact OG-N 2.9Å; S539-E541 PolarHBondContact OG-OE2 3.41Å; S539-E542 PolarHBondContact O-N 3.48Å; S539-E542 PolarHBondContact OG-N 2.79Å; S539-E542 VanDerWaalsContact OG-N 3.14Å; S539-S543 PolarHBondContact O-N 2.85Å
540P89.5Confident88.3Confident64 Ų6460 Ų6042%0.41632%0.323SS..Hα-helixtrans-59.2-32.2172.8-23.634.5000113.1S543 A544P540-S543 WeakPolarHBondContact O-CB 3.5Å; P540-S543 PolarHBondContact O-N 3.15Å; P540-A544 WeakPolarHBondContact O-CB 3.14Å; P540-A544 PolarHBondContact O-N 2.91Å
541E90Very high88.2Confident130 Ų13058 Ų5861%0.60731%0.313SS*.Hα-helixtrans-67.5-41.3179-56.572.4-155.100111.5S539 S543 A544 C545S539-E541 WeakPolarHBondContact CB-OE2 3.23Å; S539-E541 PolarHBondContact O-N 2.88Å; S539-E541 PolarHBondContact OG-N 2.9Å; S539-E541 PolarHBondContact OG-OE2 3.41Å; E541-S543 VanDerWaalsContact C-N 3.32Å; E541-S543 PolarHBondContact O-N 2.85Å; E541-A544 PolarHBondContact O-N 3.07Å; E541-C545 WeakPolarHBondContact O-CB 3.19Å; E541-C545 PolarHBondContact O-N 2.89Å
542E91.8Very high87.1Confident57 Ų5760.5 Ų60.527%0.26634%0.335SS..Hα-helixtrans-60.6-44.8172.9-173.5-167.1175.200110.4S222 F537 S538 S539 A544 C545 F546S222-E542 WeakPolarHBondContact CB-OE1 3.36Å; S222-E542 WeakPolarHBondContact CB-OE2 3.4Å; S222-E542 PolarHBondContact N-OE1 3.42Å; S222-E542 VanDerWaalsContact OG-CD 3.25Å; S222-E542 PolarHBondContact OG-OE1 3.42Å; S222-E542 PolarHBondContact OG-OE2 3.31Å; F537-E542 HydrophobicContact CB-CB 4.29Å; F537-E542 HydrophobicContact CB-CG 4.35Å; F537-E542 HydrophobicContact CD1-CB 4.46Å; F537-E542 HydrophobicContact CD1-CG 3.79Å; F537-E542 HydrophobicContact CG-CG 4.46Å; S538-E542 PolarHBondContact N-OE2 3.34Å; S538-E542 VanDerWaalsContact N-OE2 3.08Å; S539-E542 PolarHBondContact O-N 3.48Å; S539-E542 PolarHBondContact OG-N 2.79Å; S539-E542 VanDerWaalsContact OG-N 3.14Å; E542-A544 PolarHBondContact O-N 3.4Å; E542-C545 PolarHBondContact O-N 3.3Å; E542-F546 VanDerWaalsContact O-CB 3.23Å; E542-F546 WeakPolarHBondContact O-CB 3.19Å; E542-F546 PolarHBondContact O-N 3Å
543S90.6Very high85Confident3 Ų361.5 Ų61.52%0.02135%0.35CS..Hα-helixtrans-61.1-43.7176.3-176.40000112.1S539 P540 E541 F546 Q547S539-S543 PolarHBondContact O-N 2.85Å; P540-S543 WeakPolarHBondContact O-CB 3.5Å; P540-S543 PolarHBondContact O-N 3.15Å; E541-S543 VanDerWaalsContact C-N 3.32Å; E541-S543 PolarHBondContact O-N 2.85Å; S543-F546 PolarHBondContact O-N 3.27Å; S543-Q547 WeakPolarHBondContact O-CB 3.33Å; S543-Q547 WeakPolarHBondContact O-CG 3.42Å; S543-Q547 PolarHBondContact O-N 2.65Å
544A89.5Confident82.3Confident55 Ų5564.1 Ų64.146%0.45537%0.37SS..Hα-helixtrans-66.1-45.2179.300000111.6P540 E541 E542 F546 Q547 Q548P540-A544 WeakPolarHBondContact O-CB 3.14Å; P540-A544 PolarHBondContact O-N 2.91Å; E541-A544 PolarHBondContact O-N 3.07Å; E542-A544 PolarHBondContact O-N 3.4Å; A544-F546 VanDerWaalsContact C-N 3.31Å; A544-F546 PolarHBondContact O-N 3.41Å; A544-Q547 PolarHBondContact O-N 3.05Å; A544-Q548 WeakPolarHBondContact O-CB 3.29Å; A544-Q548 PolarHBondContact O-N 3.05Å
545C90.1Very high79.4Confident76 Ų7666.5 Ų66.551%0.51439%0.385SS..Hα-helixtrans-60.9-42175.4-1760000111.5E541 E542 Q548 R549E541-C545 WeakPolarHBondContact O-CB 3.19Å; E541-C545 PolarHBondContact O-N 2.89Å; E542-C545 PolarHBondContact O-N 3.3Å; C545-Q548 PolarHBondContact O-N 3.01Å; C545-R549 WeakPolarHBondContact O-CB 3.39Å; C545-R549 PolarHBondContact O-N 2.96Å; C545-R549 VanDerWaalsContact O-N 3.14Å
546F91.4Very high76.3Confident15 Ų1573.6 Ų73.67%0.06642%0.423CS..Hα-helixtrans-61.5-48.8176.3-178.5-81.6000111.9T221 L323 L329 F338 F537 E542 S543 A544 Q548 R549 Y550T221-F546 HydrophobicContact CG2-CE2 4.34Å; L323-F546 HydrophobicContact CD1-CZ 4.19Å; L323-F546 HydrophobicContact CD2-CZ 4.14Å; L329-F546 HydrophobicContact CD1-CE1 4.44Å; L329-F546 HydrophobicContact CD1-CZ 4.08Å; L329-F546 HydrophobicContact CD2-CE1 3.51Å; L329-F546 HydrophobicContact CD2-CZ 3.86Å; L329-F546 HydrophobicContact CG-CE1 3.77Å; L329-F546 HydrophobicContact CG-CZ 3.91Å; F338-F546 HydrophobicContact CD2-CD2 4.46Å; F338-F546 AromaticContact CD2-CE2 3.55Å; F338-F546 HydrophobicContact CD2-CE2 3.55Å; F338-F546 AromaticContact CD2-CZ 3.95Å; F338-F546 HydrophobicContact CD2-CZ 3.95Å; F338-F546 HydrophobicContact CE2-CD2 4.11Å; F338-F546 AromaticContact CE2-CE2 3.24Å; F338-F546 HydrophobicContact CE2-CE2 3.24Å; F338-F546 AromaticContact CE2-CZ 4Å; F338-F546 HydrophobicContact CE2-CZ 4Å; F338-F546 HydrophobicContact CG-CE2 4.32Å; F338-F546 HydrophobicContact CG-CZ 4.31Å; F338-F546 AromaticContact CZ-CE2 3.79Å; F338-F546 HydrophobicContact CZ-CE2 3.79Å; F338-F546 HydrophobicContact CZ-CZ 4.39Å; F537-F546 HydrophobicContact CE1-CB 3.7Å; F537-F546 HydrophobicContact CE1-CD1 4.11Å; F537-F546 AromaticContact CE1-CD2 3.49Å; F537-F546 HydrophobicContact CE1-CD2 3.49Å; F537-F546 VanDerWaalsContact CE1-CD2 3.49Å; F537-F546 HydrophobicContact CE1-CE2 4.03Å; F537-F546 AromaticContact CE1-CG 3.52Å; F537-F546 HydrophobicContact CE1-CG 3.52Å; F537-F546 HydrophobicContact CZ-CB 3.86Å; F537-F546 AromaticContact CZ-CD1 3.54Å; F537-F546 HydrophobicContact CZ-CD1 3.54Å; F537-F546 AromaticContact CZ-CD2 3.76Å; F537-F546 HydrophobicContact CZ-CD2 3.76Å; F537-F546 AromaticContact CZ-CE1 3.95Å; F537-F546 HydrophobicContact CZ-CE1 3.95Å; F537-F546 HydrophobicContact CZ-CE2 4.08Å; F537-F546 AromaticContact CZ-CG 3.45Å; F537-F546 HydrophobicContact CZ-CG 3.45Å; F537-F546 VanDerWaalsContact CZ-CG 3.45Å; F537-F546 HydrophobicContact CZ-CZ 4.21Å; E542-F546 VanDerWaalsContact O-CB 3.23Å; E542-F546 WeakPolarHBondContact O-CB 3.19Å; E542-F546 PolarHBondContact O-N 3Å; S543-F546 PolarHBondContact O-N 3.27Å; A544-F546 VanDerWaalsContact C-N 3.31Å; A544-F546 PolarHBondContact O-N 3.41Å; F546-Q548 VanDerWaalsContact C-N 3.35Å; F546-Q548 PolarHBondContact O-N 2.95Å; F546-R549 PolarHBondContact O-N 3.02Å; F546-Y550 HydrophobicContact CD2-CD2 4.15Å; F546-Y550 HydrophobicContact CE2-CD2 4.28Å; F546-Y550 HydrophobicContact CG-CD2 4.37Å; F546-Y550 PolarHBondContact O-N 3.28Å
547Q86.5Confident73Confident77 Ų7778.1 Ų78.136%0.3645%0.454SS..Hα-helixtrans-65.5-36.1178.5-75.1178.1-12.200112.2S543 A544 R549 G551S543-Q547 WeakPolarHBondContact O-CB 3.33Å; S543-Q547 WeakPolarHBondContact O-CG 3.42Å; S543-Q547 PolarHBondContact O-N 2.65Å; A544-Q547 PolarHBondContact O-N 3.05Å; Q547-R549 VanDerWaalsContact C-N 3.28Å; Q547-R549 PolarHBondContact O-N 3.4Å; Q547-G551 WeakPolarHBondContact O-CA 3.3Å; Q547-G551 PolarHBondContact O-N 2.81Å
548Q86.6Confident69.8Low171 Ų17183.6 Ų83.680%0.79949%0.488SS*.Hα-helixtrans-63.2-35.8174.9-171.6-17713.300112.2A544 C545 F546A544-Q548 WeakPolarHBondContact O-CB 3.29Å; A544-Q548 PolarHBondContact O-N 3.05Å; C545-Q548 PolarHBondContact O-N 3.01Å; F546-Q548 VanDerWaalsContact C-N 3.35Å; F546-Q548 PolarHBondContact O-N 2.95Å
549R87.1Confident66.7Low167 Ų16788.3 Ų88.363%0.6351%0.506SS*.Hα-helixtrans-84.9-36-176.1-169.9170-178.6159.71.5113.6K337 C545 F546 Q547K337-R549 PolarHBondContact NZ-O 3.12Å; K337-R549 VanDerWaalsContact NZ-O 3.15Å; C545-R549 WeakPolarHBondContact O-CB 3.39Å; C545-R549 PolarHBondContact O-N 2.96Å; C545-R549 VanDerWaalsContact O-N 3.14Å; F546-R549 PolarHBondContact O-N 3.02Å; Q547-R549 VanDerWaalsContact C-N 3.28Å; Q547-R549 PolarHBondContact O-N 3.4Å
550Y86.6Confident63.6Low25 Ų2591.8 Ų91.810%0.09853%0.531CS..Hα-helixtrans-129.2-10.2-169.7-55.4-72000114.8H334 K337 F338 F546H334-Y550 PolarHBondContact CD2-O 3.23Å; K337-Y550 HydrophobicContact CD-CD1 4.27Å; K337-Y550 HydrophobicContact CG-CD1 4.2Å; K337-Y550 HydrophobicContact CG-CE1 4.4Å; F338-Y550 HydrophobicContact CB-CD1 4.05Å; F338-Y550 HydrophobicContact CB-CE1 4.28Å; F338-Y550 HydrophobicContact CB-CG 4.28Å; F338-Y550 AromaticContact CD2-CD2 3.99Å; F338-Y550 HydrophobicContact CD2-CD2 3.99Å; F338-Y550 HydrophobicContact CD2-CE1 4.43Å; F338-Y550 AromaticContact CD2-CE2 3.83Å; F338-Y550 HydrophobicContact CD2-CE2 3.83Å; F338-Y550 HydrophobicContact CD2-CG 4.36Å; F338-Y550 HydrophobicContact CE2-CE2 4.48Å; F546-Y550 HydrophobicContact CD2-CD2 4.15Å; F546-Y550 HydrophobicContact CE2-CD2 4.28Å; F546-Y550 HydrophobicContact CG-CD2 4.37Å; F546-Y550 PolarHBondContact O-N 3.28Å
551G69.1Low60.6Low23 Ų2397.6 Ų97.624%0.23755%0.552CS.*SBendtrans-72.4157.8177.400000112Q547 A553Q547-G551 WeakPolarHBondContact O-CA 3.3Å; Q547-G551 PolarHBondContact O-N 2.81Å; G551-A553 PolarHBondContact O-N 3.11Å
552A57.9Low57.7Low61 Ų6198.4 Ų98.450%0.50457%0.566SS.*PPolyproline II helixtrans-68.8119.8166.300000107.6S554A552-S554 PolarHBondContact O-N 2.67Å
553A38.3Very low54.8Low87 Ų87100.6 Ų100.672%0.71960%0.595SS**PPolyproline II helixtrans-52.2117.5170.500000108.1G551 N555G551-A553 PolarHBondContact O-N 3.11Å; A553-N555 PolarHBondContact O-N 3.46Å
554S30.8Very low51.8Low98 Ų98109.3 Ų109.369%0.68564%0.635SS**  trans-65.586.6170.649.90000107.9A552 L556A552-S554 PolarHBondContact O-N 2.67Å; S554-L556 PolarHBondContact O-N 3.41Å
555N26.7Very low49Very low143 Ų143112.5 Ų112.577%0.76565%0.648SS**  trans-70.872.4159.8-77.7-11.7000107.6A553A553-N555 PolarHBondContact O-N 3.46Å
556L27.9Very low46Very low171 Ų171118.1 Ų118.190%0.89567%0.667SS**  trans-143.648.6166.1-126.7109.4000108.7S554S554-L556 PolarHBondContact O-N 3.41Å
557S25Very low42.9Very low94 Ų94126.2 Ų126.266%0.65771%0.705SS**  trans-160.360.2171.659.10000109.7
558T26.6Very low40.3Very low122 Ų122127.7 Ų127.775%0.74872%0.721SS**SBendtrans-151.546.3167.5-31.80000110
559L28Very low37.5Very low177 Ų177129.1 Ų129.193%0.92773%0.725SS**SBendtrans-15253.9167.1-75.6-179.3000108.9
560S25.5Very low34.7Very low111 Ų111129.1 Ų129.178%0.77673%0.732SS**  trans-163.661.3168.568.50000111.4
561E27.6Very low32Very low186 Ų186135.8 Ų135.887%0.86976%0.764SS**  trans-157.483.3167.9-118.4173.1-168.400107.9
562T28.6Very low30.2Very low147 Ų147144.1 Ų144.190%0.90280%0.797SS**SBendtrans163.892.514851.40000108.5
563A31Very low28.9Very low104 Ų104148.5 Ų148.586%0.8681%0.812SS**  trans176.5104146.100000108.1
564E27.2Very low28.6Very low186 Ų186150 Ų15087%0.86981%0.814SS**  trans-66.2160.4170.3-63.617413400111.6
565V29.8Very low28.7Very low121 Ų121154.8 Ų154.873%0.73382%0.823SS**  trans103109.2150-163.70000118.5
566E28Very low29Very low194 Ų194154.1 Ų154.191%0.90782%0.824SS**  trans82.4136.8148.1-81.3176.9147.400123.3
567Q26.1Very low29.3Very low185 Ų185151 Ų15186%0.86481%0.811SS**  trans-111.8177.6-169.7-133-168.12100109.2
568P32.6Very low29.8Very low108 Ų108149.7 Ų149.770%0.70180%0.799SS**  -116161.6-104.538-23.2000114.7
569K28.1Very low30.1Very low202 Ų202149 Ų14988%0.87879%0.794SS**  trans-148.3122.6158.2-79.8-167.3178.31730114.2
570Q28.3Very low30.5Very low166 Ų166143.6 Ų143.678%0.77678%0.776SS**  trans26.2129.5147.3-66.7-175.4-78.900123.5
571E28.6Very low31.3Very low166 Ų166142.8 Ų142.878%0.77676%0.763SS**  trans49.2115.3136.3-75.5168.2138.900120.6
572E31.8Very low31.6Very low198 Ų198139.3 Ų139.393%0.92575%0.749SS**  -174.3157.9118.1-100.6-177.7-171.800112
573D31.5Very low31.8Very low153 Ų153138 Ų13882%0.81874%0.736SS**  trans-46.4154-160.8-82.5-45.5000121.1K575D573-K575 PolarHBondContact O-N 3Å
574P31.9Very low32.3Very low117 Ų117137.6 Ų137.676%0.7673%0.727SS**  trans-83.2113.1-179.133.8-30000111.7V576P574-V576 PolarHBondContact O-N 2.93Å
575K32.7Very low32.7Very low200 Ų200132.9 Ų132.987%0.8772%0.715SS**  trans-71.5117.8161-88.9179178.2173.40109.6D573 V577D573-K575 PolarHBondContact O-N 3Å; K575-V577 PolarHBondContact O-N 3.01Å; K575-V577 VanDerWaalsContact O-N 3.11Å
576V32.2Very low32.8Very low129 Ų129133.4 Ų133.478%0.78271%0.713SS**  trans-57.7107.3174.3178.90000109.6P574 T578P574-V576 PolarHBondContact O-N 2.93Å; V576-T578 HydrophobicContact CG1-CG2 4.37Å
577V34.9Very low32.9Very low104 Ų104131.6 Ų131.663%0.6371%0.709SS**  trans-77.9121.5163.9178.10000106.7K575 D581K575-V577 PolarHBondContact O-N 3.01Å; K575-V577 VanDerWaalsContact O-N 3.11Å; V577-D581 HydrophobicContact CG1-CB 3.94Å
578T34.8Very low33.2Very low67 Ų67133.7 Ų133.741%0.41171%0.709SS.*  trans-85.7155.3-176.463.20000110.7V576 A580 D581V576-T578 HydrophobicContact CG1-CG2 4.37Å; T578-A580 PolarHBondContact O-N 2.82Å; T578-D581 PolarHBondContact N-OD2 2.87Å; T578-D581 VanDerWaalsContact N-OD2 3.11Å; T578-D581 WeakPolarHBondContact O-CB 3.36Å; T578-D581 PolarHBondContact O-N 2.82Å; T578-D581 PolarHBondContact OG1-OD2 3.02Å
579V32.5Very low33.1Very low107 Ų107136.4 Ų136.465%0.64871%0.713SS**Hα-helixtrans-57.9-22.7177.3-165.30000111.6D581 L582 L583V579-D581 VanDerWaalsContact C-N 3.35Å; V579-L582 PolarHBondContact O-N 3.35Å; V579-L583 HydrophobicContact CG1-CD1 3.95Å; V579-L583 HydrophobicContact CG1-CG 4.29Å; V579-L583 WeakPolarHBondContact O-CB 3.46Å; V579-L583 WeakPolarHBondContact O-CD1 3.28Å; V579-L583 WeakPolarHBondContact O-CG 3.34Å; V579-L583 PolarHBondContact O-N 3.26Å; V579-L583 VanDerWaalsContact O-N 3.07Å
580A37.7Very low33.3Very low65 Ų65132.2 Ų132.254%0.53771%0.706SS.*Hα-helixtrans-67.4-30.3173.600000113.6T578 S584T578-A580 PolarHBondContact O-N 2.82Å; A580-S584 PolarHBondContact O-N 2.84Å; A580-S584 PolarHBondContact O-OG 3.39Å
581D40.9Very low33.5Very low93 Ų93129.8 Ų129.850%0.49771%0.705SS.*Hα-helixtrans-77.4-26.2178-58.2-49.3000111.8V577 T578 V579 S584V577-D581 HydrophobicContact CG1-CB 3.94Å; T578-D581 PolarHBondContact N-OD2 2.87Å; T578-D581 VanDerWaalsContact N-OD2 3.11Å; T578-D581 WeakPolarHBondContact O-CB 3.36Å; T578-D581 PolarHBondContact O-N 2.82Å; T578-D581 PolarHBondContact OG1-OD2 3.02Å; V579-D581 VanDerWaalsContact C-N 3.35Å; D581-S584 PolarHBondContact O-OG 3.32Å
582L34.8Very low33.7Very low113 Ų113128 Ų12859%0.59271%0.707SS**Hα-helixtrans-80.9-37.4173.6-86.2161.5000112.2V579 S584 S585V579-L582 PolarHBondContact O-N 3.35Å; L582-S584 VanDerWaalsContact C-N 3.34Å; L582-S584 PolarHBondContact O-N 2.93Å; L582-S585 PolarHBondContact O-N 3.45Å; L582-S585 PolarHBondContact O-OG 3.01Å
583L33.4Very low33.6Very low120 Ų120122.9 Ų122.963%0.62870%0.699SS**Hα-helixtrans-75.3-19.9-177.5-71.3170.8000114V579 S585V579-L583 HydrophobicContact CG1-CD1 3.95Å; V579-L583 HydrophobicContact CG1-CG 4.29Å; V579-L583 WeakPolarHBondContact O-CB 3.46Å; V579-L583 WeakPolarHBondContact O-CD1 3.28Å; V579-L583 WeakPolarHBondContact O-CG 3.34Å; V579-L583 PolarHBondContact O-N 3.26Å; V579-L583 VanDerWaalsContact O-N 3.07Å; L583-S585 VanDerWaalsContact C-N 3.29Å
584S40.5Very low33.6Very low95 Ų95125.1 Ų125.166%0.66471%0.705SS**THydrogen-bonded Turntrans-81.1-5.8175.447.30000114A580 D581 L582A580-S584 PolarHBondContact O-N 2.84Å; A580-S584 PolarHBondContact O-OG 3.39Å; D581-S584 PolarHBondContact O-OG 3.32Å; L582-S584 VanDerWaalsContact C-N 3.34Å; L582-S584 PolarHBondContact O-N 2.93Å
585S36.3Very low33.6Very low87 Ų87129.2 Ų129.261%0.60871%0.711SS**THydrogen-bonded Turntrans-101.3-6.7179.974.70000114.8L582 L583 D587L582-S585 PolarHBondContact O-N 3.45Å; L582-S585 PolarHBondContact O-OG 3.01Å; L583-S585 VanDerWaalsContact C-N 3.29Å; S585-D587 PolarHBondContact O-N 3.02Å
586L31.4Very low33.5Very low132 Ų132124.1 Ų124.169%0.69171%0.706SS**  trans-102.163-178-76.9157.7000110.5W588L586-W588 PolarHBondContact O-N 3.21Å
587D30Very low33.5Very low156 Ų156123.8 Ų123.883%0.83471%0.709SS**  trans-86.495.3173.8-1396.5000108.4S585S585-D587 PolarHBondContact O-N 3.02Å
588W32Very low33.3Very low230 Ų230124.8 Ų124.887%0.87172%0.715SS**  trans-116.1106176.5-130.690.2000110L586L586-W588 PolarHBondContact O-N 3.21Å
589Q29.9Very low33.4Very low165 Ų165127.4 Ų127.477%0.77173%0.733SS**PPolyproline II helixtrans-73.1136.7176.5-75.2-179-30.400111.5
590P32.7Very low33.4Very low113 Ų113127.7 Ų127.773%0.73474%0.74SS**PPolyproline II helixtrans-73.1151.9169.130.9-31.8000110.7
591P32.6Very low33.2Very low115 Ų115130.6 Ų130.675%0.74775%0.754SS**PPolyproline II helixtrans-65.8150.9178.228.4-32.8000111.2
592P32.9Very low32.9Very low128 Ų128137.2 Ų137.283%0.83177%0.771SS**PPolyproline II helixtrans-74.7136.9-167.729.7-33000112.3
593A30.2Very low32.9Very low92 Ų92142.7 Ų142.776%0.7678%0.784SS**PPolyproline II helixtrans-73.7123.9168.700000110.7K595A593-K595 PolarHBondContact O-N 3.32Å
594E30.6Very low32.9Very low200 Ų200143.2 Ų143.294%0.93579%0.792SS**PPolyproline II helixtrans-69.2123.3174.4-148.7171.4-168.700109.9
595K32.3Very low32.6Very low203 Ų203143.9 Ų143.988%0.88380%0.795SS**PPolyproline II helixtrans-90.3145.4-172.2-79.7-179.1177.9175.30113.1A593A593-K595 PolarHBondContact O-N 3.32Å
596A30.2Very low32.5Very low92 Ų92146.3 Ų146.376%0.7681%0.806SS**PPolyproline II helixtrans-58.5166.9-179.600000117.7
597S32.4Very low32.6Very low122 Ų122148.4 Ų148.485%0.85381%0.812SS**  trans-133126.4141.764.90000111.1
598V31.9Very low32.9Very low125 Ų125145.4 Ų145.476%0.75880%0.801SS**  trans-131.9137.1171.6174.90000106.3
599P35.5Very low32.8Very low123 Ų123141.2 Ų141.280%0.79980%0.801SS**  trans-95.8109.6168.117.9-0.9000112.3
600S33Very low32.9Very low113 Ų113137.2 Ų137.279%0.7980%0.804SS**  trans16.9140.9144.2-51.60000123.4
601P34.5Very low32.8Very low126 Ų126139.9 Ų139.982%0.81881%0.811SS**  trans-98.2158.3168.237.7-30.2000113.4
602R33Very low33Very low231 Ų231139 Ų13987%0.87281%0.806SS**  trans-141.4116163.4-90.7-170.7-174.8-158.62.6113.2
603R35.9Very low32.8Very low229 Ų229139.4 Ų139.486%0.86480%0.799SS**  trans58.8119.9135.5-65.1-177.1178.1-175.6-1.9121.9
604T32.7Very low32.7Very low130 Ų130141.7 Ų141.780%0.79880%0.797SS**  trans-43.5176.3155.555.20000115.4
605P34.7Very low32.6Very low110 Ų110139.5 Ų139.571%0.71479%0.787SS**  cis-152.9-176.126.533.2-5.4000119.3
606V34.6Very low32.5Very low138 Ų138134.9 Ų134.984%0.83678%0.779SS**  trans94.7117.8149.6-155.50000120.4
607E32.7Very low32.3Very low176 Ų176135.4 Ų135.482%0.82278%0.776SS**  trans-64.9-167.1163.9-117.9-175.9163.300112.8
608P36.8Very low32.4Very low92 Ų92137.7 Ų137.760%0.59777%0.773SS**  cis-138.3177.8-5.426.9-1.3000116
609T29.1Very low32.2Very low142 Ų142138.8 Ų138.887%0.87177%0.77SS**  trans61.8128.9143.348.40000122.5
610G32.4Very low32Very low81 Ų81139 Ų13984%0.83576%0.764SS**  trans157.593.5153.900000116.8
611L30Very low32Very low169 Ų169140.4 Ų140.489%0.88576%0.758SS**  trans-64.9-171.8161.5-79.2154.1000112.2
612P38.2Very low32.1Very low98 Ų98141.1 Ų141.164%0.63675%0.751SS**  -124.9-154.7-60.631-9.5000110.6
613I28.1Very low32Very low135 Ų135136.8 Ų136.869%0.69274%0.74SS**  trans100.5121.2145.2-76.7164.3000120.2
614I28.4Very low31.7Very low140 Ų140131.4 Ų131.472%0.71873%0.728SS**  trans76.3143.8142.2-72.1174.6000118.1
615E28Very low31.6Very low155 Ų155134 Ų13472%0.72473%0.728SS**  cis172.6176.6-7.5-166167-143.100105.5
616C29.8Very low31.3Very low105 Ų105132.8 Ų132.871%0.70973%0.727SS**  trans94.5108.2158.1-57.30000117.3
617C27.2Very low31.1Very low104 Ų104130.8 Ų130.870%0.70373%0.725SS**  76.4123.178.4-118.30000110.1
618E33.5Very low31.2Very low169 Ų169131.3 Ų131.379%0.7973%0.728SS**  -171.813268.3-92.4157.5178.700107.2
619Q28.5Very low30.9Very low149 Ų149135 Ų13570%0.69674%0.737SS**  82.9140.877.6-89.8-174.2-3200115.7
620D31.9Very low31.3Very low127 Ų127134.1 Ų134.168%0.67973%0.734SS**  trans83.5135.2155.7-58.7-18.7000118.2
621E33.3Very low31.2Very low142 Ų142135.3 Ų135.366%0.66473%0.725SS**  cis-173.8152.28.4-118.8-177.2156.900109
622H34.7Very low31.4Very low142 Ų142135.6 Ų135.666%0.65772%0.722SS**  trans54.4146.7136.1-69.5-32.9000122.1
623Q31.1Very low31.1Very low140 Ų140135.5 Ų135.565%0.65472%0.723SS**  cis-173.8145.83.8-105.2178.740.100109.4
624L29.7Very low31.4Very low115 Ų115135.4 Ų135.460%0.60272%0.723SS**  trans58.9134.5135.1-82.889.7000125.6
625K31Very low31.6Very low185 Ų185136.4 Ų136.480%0.80473%0.725SS**  trans77.4151.7133.6-78.3169.7168.31650118.4
626A29.4Very low31.9Very low84 Ų84133.7 Ų133.769%0.69472%0.723SS**  cis175.5147.1-20.200000106
627A30.3Very low32Very low96 Ų96136 Ų13679%0.79373%0.729SS**  trans63.6153.4157.200000116.8
628E34.4Very low32.2Very low187 Ų187136.5 Ų136.587%0.87473%0.733SS**  cis-156.8152.330.3-69.8173.2140.700110.1
629E31Very low32.1Very low171 Ų171132.5 Ų132.580%0.79973%0.729SS**  trans-81.2165.2155.1-73.4-166.2152.300110.2
630P36.5Very low32.3Very low123 Ų123134.6 Ų134.680%0.79974%0.739SS**  -149.1158.1101.833.4-13.9000117.2
631T30.4Very low32.3Very low106 Ų106133.9 Ų133.965%0.6574%0.744SS**  trans-48.9151.7165.150.80000117.4
632Q34.8Very low32.1Very low175 Ų175135.5 Ų135.582%0.81875%0.751SS**  169.4127.5114.2-93176.99.700115.1
633S31.7Very low31.9Very low95 Ų95136.7 Ų136.766%0.66476%0.757SS**  trans51.9141.7138.365.90000121.5
634L33.5Very low31.7Very low133 Ų133138 Ų13870%0.69677%0.768SS**  cis-169.6140.246.8-117.1117.4000110.9
635E32.9Very low31.8Very low161 Ų161138.8 Ų138.875%0.75278%0.777SS**  trans64.6110.4136.9-70.4-179.1-177.200126
636S33.9Very low31.6Very low98 Ų98136.8 Ų136.869%0.68578%0.775SS**  102.5118.2113.177.40000122.1
637N31.6Very low31.7Very low154 Ų154139.1 Ų139.182%0.82478%0.775SS**  trans109.6130132.9-72.7-19.9000122.5
638S31.8Very low31.7Very low114 Ų114141.3 Ų141.380%0.79777%0.773SS**  trans83.995.5165.267.90000117.1
639A32.2Very low31.4Very low86 Ų86136.1 Ų136.171%0.71176%0.762SS**  90.29675.300000111.8
640E31.9Very low31.3Very low192 Ų192135.1 Ų135.190%0.89776%0.763SS**  108.5123.9124-72.9176.1171.900108.4
641S33.2Very low31Very low113 Ų113137.1 Ų137.179%0.7976%0.762SS**  cis-160.3124.626.744.60000109.8
642H28.4Very low31.1Very low175 Ų175138.9 Ų138.981%0.8177%0.766SS**  trans-67.4167.9152.9-76.8-122.4000108.1
643E30.4Very low30.7Very low168 Ų168135 Ų13579%0.78576%0.764SS**  cis-179.1156.141.4-146.2156.2-144.100110.2
644L26.6Very low30.7Very low167 Ų167135.8 Ų135.887%0.87478%0.776SS**  trans-83.8138.3169.7-73.5153.3000110.8
645V32.5Very low30.6Very low131 Ų131133.4 Ų133.479%0.79478%0.784SS**  trans-161.7110.6153.5-117.60000107.6
646N26.9Very low30.3Very low144 Ų144129.2 Ų129.277%0.7778%0.784SS**  64.8131.364.4-118.117.3000115.1
647L31.6Very low30Very low132 Ų132129.5 Ų129.569%0.69179%0.792SS**  trans90.1110.4156.3-54.3162000116.2
648D29.2Very low29.9Very low142 Ų142127 Ų12776%0.75979%0.793SS**  76.9121.994-72.6-25.3000110.7
649A29.5Very low29.7Very low78 Ų78127 Ų12765%0.64579%0.792SS**  122.8138.856.900000106.2
650D28.2Very low29.5Very low150 Ų150126.5 Ų126.580%0.80279%0.789SS**  trans69.9124.3154.9-59.8-32.4000122.1
651E29.5Very low29.2Very low166 Ų166124.3 Ų124.378%0.77678%0.783SS**  115.3140.2115.2-120.8-173.4162.400119.7
652L32.9Very low29Very low142 Ų142125.2 Ų125.274%0.74379%0.788SS**  trans89.593.3156.7-57.5159.7000116.3
653A27.1Very low28.9Very low95 Ų95123.3 Ų123.379%0.78578%0.784SS**  78.3133.170.400000114.9
654A30.8Very low28.7Very low111 Ų111123 Ų12392%0.91779%0.785SS**  trans115.9127.8149.400000117.9
655G31Very low28.7Very low82 Ų82121.4 Ų121.485%0.84578%0.776SS**  trans102.198.8165.800000112.3
656G28Very low28.5Very low73 Ų73128.1 Ų128.175%0.75379%0.787SS**  123.29761.300000106
657A26.7Very low28.5Very low104 Ų104123.9 Ų123.986%0.8678%0.778SS**  64.9115.8105.100000115.2
658A29.4Very low28.1Very low102 Ų102126 Ų12684%0.84379%0.79SS**  trans126.1136.4142.800000116.7
659S28.8Very low27.9Very low113 Ų113131 Ų13179%0.7980%0.798SS**  trans78.5105.1158.6-159.20000116.7
660A27.7Very low27.7Very low77 Ų77131.7 Ų131.764%0.63680%0.804SS**  67.2125.766.900000113.3
661D25.5Very low27.5Very low145 Ų145133.4 Ų133.478%0.77581%0.807SS**  trans62.4122.1150.2-55.4-27.5000121.2
662C29.4Very low27.5Very low132 Ų132130.7 Ų130.789%0.89280%0.804SS**  trans-176.871140.1-113.50000105.7
663D25.4Very low27.2Very low136 Ų136128.2 Ų128.273%0.72780%0.796SS**  11.4127.684.6-98.5-9.8000117.7
664M27.1Very low27.1Very low162 Ų162129.2 Ų129.280%0.79880%0.797SS**  trans87.4125.8143.8-77.7-153.3141.700122.1
665L26.1Very low26.9Very low133 Ų133132.5 Ų132.570%0.69679%0.791SS**  trans95.481.1139.5-68.7154.1000119.8
666W27.8Very low26.7Very low272 Ų272135 Ų135100%1.0379%0.785SS**SBend-130.283.7114.8-7671.9000105.3
667G26.2Very low26.7Very low55 Ų55137.2 Ų137.257%0.56778%0.779SS**  99.787.380.600000107.2R669G667-R669 PolarHBondContact O-N 3.15Å
668N24.2Very low26.7Very low177 Ų177136.4 Ų136.495%0.94777%0.766SS**  trans-39108.5166.9-84-20.3000110.2
669R24.9Very low26.6Very low245 Ų245139.3 Ų139.393%0.92577%0.768SS**  trans-128.9107.2154.3-127.6179.5-174.7-170.80.9106.8G667 E671G667-R669 PolarHBondContact O-N 3.15Å; R669-E671 PolarHBondContact O-N 3.27Å
670A25.1Very low26.7Very low93 Ų93139.5 Ų139.577%0.76976%0.764SS**  trans-24.5124.2-178.800000114.4P672A670-P672 WeakPolarHBondContact O-CD 3.47Å
671E24.9Very low26.6Very low186 Ų186142.7 Ų142.787%0.86977%0.77SS**PPolyproline II helixtrans-50.9119.7151.7-68.2-172.5152.400107.8R669R669-E671 PolarHBondContact O-N 3.27Å
672P29.1Very low26.8Very low110 Ų110141.8 Ų141.871%0.71477%0.765SS**PPolyproline II helixtrans-70.5142.5159.430.9-27.6000106.7A670 S674A670-P672 WeakPolarHBondContact O-CD 3.47Å; P672-S674 PolarHBondContact O-N 2.61Å
673P26.1Very low26.8Very low89 Ų89140.8 Ų140.858%0.57876%0.755SS**PPolyproline II helixtrans-58.1136.6-174.7-0.15.6000109.7F675P673-F675 HydrophobicContact CB-CD2 4.28Å; P673-F675 HydrophobicContact CB-CE2 4.19Å; P673-F675 HydrophobicContact CG-CD2 4.21Å; P673-F675 HydrophobicContact CG-CE2 3.68Å; P673-F675 HydrophobicContact CG-CZ 4.3Å; P673-F675 WeakPolarHBondContact O-CD2 2.96Å; P673-F675 PolarHBondContact O-N 2.7Å
674S25.9Very low26.9Very low116 Ų116142 Ų14281%0.81176%0.761SS**  trans-53.691.3158.650.20000108.2P672 N676P672-S674 PolarHBondContact O-N 2.61Å; S674-N676 PolarHBondContact O-N 2.97Å
675F25.4Very low27Very low180 Ų180144.2 Ų144.279%0.78977%0.766SS**  trans-72.6112.4176-92-82000108.4P673 L677P673-F675 HydrophobicContact CB-CD2 4.28Å; P673-F675 HydrophobicContact CB-CE2 4.19Å; P673-F675 HydrophobicContact CG-CD2 4.21Å; P673-F675 HydrophobicContact CG-CE2 3.68Å; P673-F675 HydrophobicContact CG-CZ 4.3Å; P673-F675 WeakPolarHBondContact O-CD2 2.96Å; P673-F675 PolarHBondContact O-N 2.7Å; F675-L677 PolarHBondContact O-N 2.95Å
676N26.2Very low26.9Very low135 Ų135142.5 Ų142.572%0.72277%0.771SS**  trans-49.5119.4163-78.5-42.8000108.9S674 C678S674-N676 PolarHBondContact O-N 2.97Å; N676-C678 PolarHBondContact O-N 3.47Å
677L28.5Very low27.1Very low120 Ų120135.5 Ų135.563%0.62876%0.761SS**SBendtrans-74.970.3171.9-163.478.6000108.9F675F675-L677 PolarHBondContact O-N 2.95Å
678C27.9Very low27.2Very low87 Ų87138.3 Ų138.359%0.58877%0.772SS**  trans-16166.2169.153.70000108.2N676N676-C678 PolarHBondContact O-N 3.47Å
679D26.4Very low27.6Very low163 Ų163138.8 Ų138.887%0.87277%0.771SS**  trans-178.885.2157.2-86.9-27.3000107.9
680V30.3Very low27.7Very low116 Ų116136 Ų13670%0.70377%0.768SS**  trans-117.792.4163.8-175.90000106.8L682V680-L682 HydrophobicContact CG1-CD2 4.38Å; V680-L682 HydrophobicContact CG1-CG 4.13Å; V680-L682 PolarHBondContact O-N 3.35Å
681D27Very low27.9Very low144 Ų144135.9 Ų135.977%0.7777%0.767SS**  trans-73.3101.3174.3-145.5-11.3000108.4T683D681-T683 PolarHBondContact O-N 2.81Å
682L27.9Very low28.2Very low127 Ų127132.9 Ų132.967%0.66577%0.766SS**  trans-92.670.4176.5-75168.9000109.6V680V680-L682 HydrophobicContact CG1-CD2 4.38Å; V680-L682 HydrophobicContact CG1-CG 4.13Å; V680-L682 PolarHBondContact O-N 3.35Å
683T30.2Very low28.4Very low111 Ų111131.9 Ų131.968%0.68177%0.768SS**  trans-135.3117.2168.460.20000113.2D681D681-T683 PolarHBondContact O-N 2.81Å
684N27.5Very low29Very low160 Ų160133.2 Ų133.286%0.85678%0.776SS**  trans15.2126.4156.3-69.8-20.3000121.6
685K29.4Very low29.5Very low209 Ų209132.2 Ų132.291%0.90977%0.767SS**  -168.6117.5118.1-117.4174.6177.1177.70112.8
686A24.8Very low29.7Very low97 Ų97131 Ų13180%0.80277%0.769SS**  trans-86.3151.1164.300000110.5
687P32.1Very low30.1Very low126 Ų126129.4 Ų129.482%0.81877%0.774SS**  trans-104.7128.5155.128.1-13.8000111
688S26.5Very low30.1Very low113 Ų113131.3 Ų131.379%0.7979%0.785SS**  trans-63.4135.6170.246.60000113.3
689M32.7Very low30.3Very low188 Ų188132.8 Ų132.893%0.92680%0.796SS**  trans-138.7119.2145.6-89.4-167.475.100109.7
690E27.3Very low30.5Very low186 Ų186129.7 Ų129.787%0.86979%0.787SS**  trans-68.3142.4169.8-67.4165.8133.400110.8
691A29.9Very low30.5Very low90 Ų90133.1 Ų133.174%0.74480%0.795SS**  163138.3108.800000113
692S31.7Very low30.5Very low123 Ų123136.8 Ų136.886%0.8680%0.799SS**  trans72.7102157.159.90000120.4
693A31.8Very low30.6Very low90 Ų90139.6 Ų139.674%0.74481%0.808SS**  trans-93.8-169.2151.800000108.5
694P38.6Very low30.5Very low117 Ų117140.6 Ų140.676%0.7681%0.81SS**  cis-134.2-140.3-4635.3-12.3000108.2
695P37.6Very low30.6Very low95 Ų95141.4 Ų141.462%0.61781%0.813SS**  cis-138.2-176.1-16.933-9.4000115.9
696D30Very low30.4Very low154 Ų154138.9 Ų138.982%0.82481%0.808SS**  trans77.9114.5151.9-56.6-30.7000122
697A33.6Very low30.6Very low101 Ų101142.4 Ų142.484%0.83581%0.806SS**  -170.1124.7127.700000112.2
698D29.5Very low30.4Very low160 Ų160144.3 Ų144.386%0.85681%0.809SS**  trans-51145.4170.1-76-51.9000114.9
699S32.4Very low30.5Very low118 Ų118146.5 Ų146.583%0.82581%0.811SS**  177.3135.911444.50000113.5
700S29.2Very low30.4Very low98 Ų98141.9 Ų141.969%0.68580%0.803SS**  trans-50.7140.7171.850.40000115.9
701H31.2Very low30.6Very low188 Ų188139.3 Ų139.387%0.8780%0.802SS**  -154.8109.8128.3-102.5-73000110.3
702R26.8Very low30.4Very low221 Ų221139 Ų13983%0.83481%0.809SS**  trans-77.5131.3164.5-83174.4148151.6-5.1108.1
703E30.5Very low30.3Very low187 Ų187137 Ų13787%0.87481%0.806SS**  trans-134.5114146.6-73.2-161.9158.800109.9
704N27.5Very low30Very low132 Ų132137.3 Ų137.371%0.70681%0.809SS**  trans-74.9133.2168.8-63.7-53.5000108.5
705L29.3Very low29.6Very low177 Ų177136.9 Ų136.993%0.92781%0.807SS**  trans-133.589.4150.4-75.3177.5000108.9
706L26.3Very low29.1Very low155 Ų155138.3 Ų138.381%0.81281%0.814SS**  trans-80.8139167.8-176.870.7000108.9
707F27.8Very low28.8Very low172 Ų172138.9 Ų138.975%0.75481%0.811SS**  trans-17.1140.2164.9-76.7-101.1000118.4
708D28.6Very low28.5Very low166 Ų166143.8 Ų143.889%0.88882%0.816SS**  trans-137.8107.3145.1-113.4-20.8000110.3
709L27.3Very low28.2Very low159 Ų159141.4 Ų141.483%0.83281%0.807SS**  trans-119.999.1162-89.7167.4000106.3
710A30.8Very low27.9Very low91 Ų91145.8 Ų145.875%0.75281%0.812SS**  trans-90.1140.6168.600000110.4
711P31.5Very low27.7Very low131 Ų131146 Ų14685%0.85181%0.813SS**  trans-96.5148.9177.836.3-29.8000112
712G27.3Very low27.3Very low85 Ų85146.2 Ų146.288%0.87682%0.815SS**  trans139.8117.9158.600000115.7
713G28.1Very low27.3Very low79 Ų79139.1 Ų139.181%0.81480%0.803SS**  trans148.988.9163.900000114.2
714A25.7Very low27Very low97 Ų97137.7 Ų137.780%0.80280%0.802SS**  trans-64.2157.4158.900000109.3
715P30.5Very low26.9Very low109 Ų109139.4 Ų139.471%0.70881%0.81SS**  -156.4174.967.238.3-14.8000118.4
716T26.5Very low26.7Very low125 Ų125135.1 Ų135.177%0.76780%0.795SS**  trans73.1103.8144.250.10000122.7
717H24.5Very low26.7Very low166 Ų166132.3 Ų132.377%0.76978%0.784SS**  trans19.5114.2133.8-81.9-96.9000118.9
718H28Very low26.6Very low203 Ų203128.2 Ų128.294%0.9478%0.775SS**  -146.6130126.1-99.6-76.5000110.1
719V23.1Very low26.6Very low110 Ų110125.5 Ų125.567%0.66776%0.764SS**  trans-80.4127.5-170.71700000110.3
720F25.6Very low26.6Very low210 Ų210124 Ų12492%0.92175%0.752SS**  trans-152.2100.1147.3-92.3-71.2000111.4
721S24.9Very low26.5Very low102 Ų102126.8 Ų126.871%0.71375%0.751SS**  trans43.988.1142.5-170.70000118.5
722E23.4Very low26.4Very low194 Ų194128 Ų12891%0.90775%0.746SS**  trans-75.3111.3150.2-70.2-177.2148.900109
723A25.1Very low26.2Very low71 Ų71134.5 Ų134.559%0.58774%0.743SS**  trans-149.2126161.300000108.8
724N25.4Very low26.1Very low158 Ų158138 Ų13885%0.84574%0.744SS**  trans91.854.3173-47.2-42.7000117.6S726N724-S726 PolarHBondContact O-N 3.44Å
725L25Very low26Very low168 Ų168140.2 Ų140.288%0.8874%0.741SS**  trans-86.182.9146.4-85.2155.8000108V727L725-V727 PolarHBondContact O-N 3Å
726S25.8Very low25.8Very low87 Ų87140.2 Ų140.261%0.60874%0.744SS**  trans-70.8115.2165.7490000108.7N724N724-S726 PolarHBondContact O-N 3.44Å
727V25.2Very low25.8Very low95 Ų95140.4 Ų140.458%0.57675%0.745SS**  trans-45.3130.2173.3-178.60000109.9L725 V729L725-V727 PolarHBondContact O-N 3Å; V727-V729 PolarHBondContact O-N 3.24Å; V727-V729 VanDerWaalsContact O-N 3.12Å
728P26.6Very low25.8Very low87 Ų87137.9 Ų137.957%0.56574%0.744SS**  trans-60.2120.6166-8.322000106.6H730P728-H730 PolarHBondContact O-N 3.48Å
729V27.9Very low25.8Very low109 Ų109136.9 Ų136.966%0.66174%0.744SS**  trans-44.6112.5179.2176.30000108.5V727 M731V727-V729 PolarHBondContact O-N 3.24Å; V727-V729 VanDerWaalsContact O-N 3.12Å; V729-M731 PolarHBondContact O-N 3.37Å; V729-M731 VanDerWaalsContact O-N 3.07Å
730H27.9Very low26Very low126 Ų126139.4 Ų139.458%0.58375%0.753SS**  trans-48.6116.3167.8-75.1-76.4000108P728 H732P728-H730 PolarHBondContact O-N 3.48Å; H730-H732 PolarHBondContact O-N 2.85Å
731M27.8Very low26.2Very low150 Ų150136.4 Ų136.474%0.73975%0.746SS**  trans-61.598.8142.5-99.7-166.2158.200104.5V729 R733V729-M731 PolarHBondContact O-N 3.37Å; V729-M731 VanDerWaalsContact O-N 3.07Å; M731-R733 PolarHBondContact O-N 2.94Å
732H29.3Very low26.3Very low158 Ų158138.1 Ų138.173%0.73175%0.747SS**  trans-45131.2-170.7-98.1-101.9000111.5H730 N734H730-H732 PolarHBondContact O-N 2.85Å; H732-N734 PolarHBondContact O-N 3.01Å
733R24.7Very low26.8Very low220 Ų220137.9 Ų137.983%0.8375%0.746SS**  trans-27.3116.4140-77.7172.1159.9167.4-6.3109.9M731M731-R733 PolarHBondContact O-N 2.94Å
734N25.6Very low26.9Very low153 Ų153141.5 Ų141.582%0.81876%0.755SS**  trans-152.486.6142-87.4-23.4000107.6H732H732-N734 PolarHBondContact O-N 3.01Å
735L23.7Very low27.1Very low143 Ų143142.2 Ų142.275%0.74975%0.753SS**  trans-66.7155.3144.2-88.6137.8000108.2
736S25.9Very low27.2Very low110 Ų110138.8 Ų138.877%0.76974%0.74SS**  trans91.6105.4-169.8-35.30000110
737T26Very low27.5Very low129 Ų129144.4 Ų144.479%0.79175%0.754SS**  cis-166.4150.842.3-26.70000107.8
738P25.7Very low27.6Very low113 Ų113146 Ų14673%0.73476%0.764SS**  trans-76.3130.2179.231.3-30.7000110.3L740P738-L740 PolarHBondContact O-N 2.83Å
739L28Very low27.7Very low181 Ų181146 Ų14695%0.94877%0.771SS**  trans-80.199.7165-82167.8000108.5
740L27.4Very low27.7Very low163 Ų163147.8 Ų147.885%0.85378%0.782SS**  trans-88.4135.2163.2-114.3167.5000109.2P738P738-L740 PolarHBondContact O-N 2.83Å
741L28.1Very low27.8Very low148 Ų148145.2 Ų145.278%0.77579%0.79SS**  trans-59.4141.6179.4-171.172.3000113.4
742D28.1Very low27.9Very low137 Ų137147.2 Ų147.273%0.73380%0.797SS**  173.6123.3123.7-104.1-13.7000113.8
743Q32.8Very low27.9Very low189 Ų189145.7 Ų145.788%0.88380%0.801SS**  trans-140.399.1141.9-77.7-158.4-7.600108.8
744L28.8Very low28.3Very low148 Ų148140 Ų14078%0.77580%0.802SS**  trans21.2126133.2-62.8158000116.3
745E28.2Very low28.5Very low173 Ų173140 Ų14081%0.80880%0.802SS**  -162.5157.975.6-83.7-103.2139.100112.9
746P27.8Very low28.8Very low95 Ų95143.4 Ų143.462%0.61781%0.811SS**  trans-101.3137.1-17036.4-26.8000113.8
747F30.9Very low28.8Very low205 Ų205142.6 Ų142.690%0.89981%0.811SS**  trans-146.998.1156.7-107.4-82.2000113
748V27.7Very low29.1Very low130 Ų130140.9 Ų140.979%0.78881%0.809SS**  trans11.8130.7136.4-1710000119.9
749A29.5Very low29.4Very low85 Ų85145.1 Ų145.170%0.70282%0.816SS**  trans131.997135.400000113.3
750V27.1Very low29.3Very low148 Ų148141.9 Ų141.990%0.89781%0.809SS**  89.1117.187.8169.50000114.6
751G29.9Very low29.6Very low72 Ų72138.7 Ų138.774%0.74280%0.8SS**  trans81.3139.1153.600000116.4
752E29.9Very low29.7Very low191 Ų191137.9 Ų137.989%0.89380%0.801SS**  cis-171.2154.7-2.2-121-176.9179.700105.2
753P29.7Very low29.8Very low126 Ų126136.9 Ų136.982%0.81880%0.8SS**  trans-98.8138.7-17935-26.8000112.2
754A33.5Very low29.7Very low102 Ų102136.7 Ų136.784%0.84380%0.797SS**  trans-141.8115.7166.700000112.5
755N28.9Very low29.8Very low153 Ų153134.6 Ų134.682%0.81879%0.794SS**  trans-43.8145.5160.4-70.4-47.7000112.7
756F30.7Very low30Very low214 Ų214132.3 Ų132.394%0.93980%0.795SS**  trans-157.6124.6133-115.2-80.4000111.4
757A26.4Very low30.2Very low93 Ų93134.2 Ų134.277%0.76980%0.804SS**  trans-96.3139.4170.300000110
758A32.5Very low30.2Very low92 Ų92133.7 Ų133.776%0.7680%0.804SS**  trans-174.8108.3153.800000108.3
759K31.4Very low30.5Very low202 Ų202133.7 Ų133.788%0.87881%0.805SS**  61.2104.792.7-74.7-172.4179.5179.50116.4
760S26.8Very low30.8Very low114 Ų114134 Ų13480%0.79781%0.808SS**  79.1134.7124.7-140.80000122.1
761S33Very low30.9Very low96 Ų96135.2 Ų135.267%0.67180%0.804SS**  trans96.2103.7142.475.30000120.1
762T30.6Very low31.3Very low130 Ų130138 Ų13880%0.79881%0.809SS**  64.5134.4125.251.80000122.9
763V30.5Very low31.4Very low116 Ų116135.8 Ų135.870%0.70380%0.802SS**  trans101.2113.3138.9161.50000118.8
764F29.7Very low31.5Very low186 Ų186138 Ų13882%0.81681%0.805SS**  trans61.9131.2149.1-73.6-111.3000118.1
765S30.7Very low31.6Very low103 Ų103138.6 Ų138.672%0.7280%0.799SS**  -174.9160.857.9-45.40000109.8
766P32.3Very low31.6Very low126 Ų126136 Ų13682%0.81879%0.793SS**  trans-90.3152.5178.136-30.3000112.6
767V33.3Very low31.9Very low135 Ų135134 Ų13482%0.81879%0.791SS**  trans-127.9117.1172.4174.90000109.7
768E29.5Very low32Very low193 Ų193139 Ų13990%0.90280%0.796SS**  trans-72.4144.5163.9-85.6174.7134.900111.6
769T34.7Very low32.1Very low130 Ų130139.6 Ų139.680%0.79880%0.801SS**  trans-144.8105155.9-49.40000112.5
770A35.3Very low31.9Very low93 Ų93139.2 Ų139.277%0.76980%0.802SS**  trans66.2114.7134.900000123.3
771Q29.9Very low32.3Very low173 Ų173138.3 Ų138.381%0.80880%0.801SS**  trans-96.1159.1144.8-66.4-178.9-17.800110.2
772P38.3Very low32.2Very low131 Ų131140.6 Ų140.685%0.85181%0.811SS**  trans-109.7126.1158.332.7-19.9000112.3
773I30.9Very low32.3Very low144 Ų144137.2 Ų137.274%0.73880%0.802SS**  trans-102.8132.3163.2-65.3172.4000107.2
774L33.3Very low32.6Very low171 Ų171140.2 Ų140.290%0.89581%0.808SS**  trans-123.496.8164.5-151.695000111.2
775V34.9Very low32.7Very low116 Ų116136.9 Ų136.970%0.70381%0.808SS**  trans26.4122.8137.5-169.20000120.2
776S29.8Very low32.9Very low99 Ų99135.9 Ų135.969%0.69281%0.806SS**  trans-65.6143.8163.5176.80000113.5
777N35.8Very low32.8Very low170 Ų170135.9 Ų135.991%0.90980%0.804SS**  trans-151.2132.5146.6-97.1-24.6000111
778K29.8Very low32.9Very low200 Ų200135.8 Ų135.887%0.8780%0.799SS**  trans-110.6128.2-175.1-156.7-174.3-168.9-174.30107.5
779A33.6Very low33.1Very low104 Ų104135.2 Ų135.286%0.8679%0.793SS**  trans-160.1130.516100000111.1
780E28Very low32.9Very low193 Ų193134.8 Ų134.890%0.90279%0.793SS**  trans-76.3151.7179.8-62.2162.4143.600112.4
781A33.5Very low32.8Very low95 Ų95139.1 Ų139.179%0.78580%0.802SS**  trans177.8105135.400000112.7
782V31.7Very low32.8Very low144 Ų144142 Ų14287%0.87381%0.805SS**  trans20.5127.8134.4-172.80000120
783G33.2Very low33.1Very low60 Ų60140.3 Ų140.362%0.61980%0.795SS**  trans161.2102.7140.800000119.5
784H37.4Very low33.3Very low178 Ų178139.3 Ų139.382%0.82480%0.797SS**  trans59.9106141.2-56.378.9000119.6
785S30.8Very low33.2Very low117 Ų117136.5 Ų136.582%0.81879%0.792SS**  78.5109.685.6173.30000115.4
786A34.5Very low33.2Very low81 Ų81135.6 Ų135.667%0.66980%0.796SS**  162.8108.812700000113
787T30.6Very low33.1Very low126 Ų126140.4 Ų140.477%0.77381%0.805SS**  trans33.1117.7132.860.80000120.5
788D35.7Very low32.7Very low134 Ų134136 Ų13672%0.71779%0.788SS**  -170.5125105.8-117.5-24.2000114.5
789K33.2Very low32.7Very low180 Ų180138 Ų13878%0.78379%0.79SS**  trans37.8131.9147.8-70.2166.7-172.1166.50124.1
790P29.9Very low32.3Very low121 Ų121141.4 Ų141.479%0.78679%0.793SS**  trans-96.6155.3164.838-29.4000112.5
791L33.8Very low32.3Very low185 Ų185135 Ų13597%0.96978%0.779SS**  trans-123.4127.8163.6-79.1169.9000110.6
792R30.7Very low32.1Very low233 Ų233137.2 Ų137.288%0.87978%0.783SS**  trans-118.8-170.8178.1-150.8-155.4-159.9-175.47.8107.4
793P43.1Very low31.9Very low96 Ų96140.8 Ų140.862%0.62378%0.782SS**  -98.7-153.2-118.536.5-13.6000112.9
794P35.2Very low31.7Very low123 Ų123149.6 Ų149.680%0.79980%0.797SS**  -153.5159.388.437.2-16.3000118.1
795S32Very low31.3Very low111 Ų111147.4 Ų147.478%0.77680%0.796SS**  trans-76.9148.5158.3490000113.2
796A35.1Very low31.1Very low97 Ų97153.8 Ų153.880%0.80280%0.803SS**  trans-172.5114.6147.100000108.4
797F27.7Very low30.7Very low200 Ų200152.6 Ų152.688%0.87780%0.798SS**  72.310167.7-138.3-99.6000115.1
798S27.2Very low30.6Very low79 Ų79154 Ų15455%0.55280%0.801SS**  trans77.8130.6132.1-60.10000123.4
799R29.4Very low30.3Very low241 Ų241155.8 Ų155.891%0.90981%0.81SS**  151.6109.4123.8-80.7176.5-157.6-139.76109.3
800L26.5Very low29.9Very low175 Ų175159 Ų15992%0.91682%0.817SS**  66110.977.9-151.386.4000115.6
801G27.3Very low29.8Very low60 Ų60157.9 Ų157.962%0.61981%0.812SS**  trans81121.8137.700000118.8
802T29Very low29.5Very low140 Ų140153.6 Ų153.686%0.85980%0.797SS**  175.7143.491.633.30000113.5
803Y26.6Very low29.4Very low219 Ų219149.8 Ų149.886%0.85979%0.794SS**  trans-45.6146.2168.6-58.7-97.8000114.9
804R29.5Very low28.8Very low245 Ų245149.2 Ų149.293%0.92580%0.798SS**  -168.4128.8118.2-101.6167.6-169.3-1473.4113.4
805T29.5Very low28.5Very low133 Ų133150.1 Ų150.182%0.81680%0.801SS**  trans-37.3164161.833.30000118.5
806R26.8Very low28.5Very low251 Ų251149.5 Ų149.595%0.94780%0.803SS**  trans111.7126147.9-153.2176.8-161.3169.33.3111.1
807G26.3Very low28.2Very low56 Ų56154.4 Ų154.458%0.57781%0.806SS**  cis136.7128.922.800000105.7
808D27Very low28.3Very low155 Ų155151.8 Ų151.883%0.82981%0.807SS**  trans60.3123.1163.1-49.4-37.3000118.9
809L30.5Very low28.5Very low172 Ų172157.6 Ų157.690%0.90182%0.822SS**  -173130.5105.4-11785.6000112.6
810W25.2Very low28.8Very low248 Ų248154 Ų15494%0.93982%0.82SS**  trans-53.6152.2160.1-121.2-70.9000112.6
811S26.6Very low29.4Very low96 Ų96151.2 Ų151.267%0.67181%0.806SS**  trans108.9119.7134.3-149.90000120.4
812S28.8Very low30Very low96 Ų96153.3 Ų153.367%0.67181%0.812SS**  trans82.5109.9134.4-61.10000122.4
813N28.7Very low30.5Very low152 Ų152150 Ų15081%0.81379%0.791SS**  157.1117102.3-99.9-15.1000110.5
814A29.8Very low31.7Very low84 Ų84141.9 Ų141.969%0.69477%0.77SS**  76.3125.495.300000111.5
815T29.2Very low32.1Very low142 Ų142137.6 Ų137.687%0.87176%0.758SS**  cis-163.1160.931.140.70000106
816A31.9Very low33.2Very low99 Ų99137.8 Ų137.882%0.81875%0.75SS**  cis-159.814838.600000110.5
817K28.7Very low34.4Very low199 Ų199131.3 Ų131.387%0.86573%0.733SS**  trans-92.8137.3-174.7-67.3171.1173.9172.60111.2
818T31Very low35.6Very low146 Ų146134.3 Ų134.390%0.89674%0.736SS**  trans-119.3112.3149.531.30000108.3
819K30Very low36.5Very low201 Ų201131.4 Ų131.487%0.87472%0.72SS**PPolyproline II helixtrans-68122.8175.8-82.5173.7165.4-177.20109
820L36.7Very low37.3Very low165 Ų165127 Ų12786%0.86470%0.703SS**PPolyproline II helixtrans-101.6125.5153.3-134.887.9000107.1
821D39.3Very low38.3Very low117 Ų117119.3 Ų119.363%0.62669%0.688SS**PPolyproline II helixtrans-67.2144.2-167.1-141.1-18.5000112.1T823 A824D821-T823 PolarHBondContact O-N 3.09Å; D821-A824 PolarHBondContact O-N 3.27Å
822S38Very low39Very low104 Ų104122 Ų12273%0.72769%0.69SS**THydrogen-bonded Turntrans-70.74.7-174.456.30000114.2
823T41.3Very low39.6Very low69 Ų69120.8 Ų120.842%0.42369%0.692SS.*THydrogen-bonded Turntrans-97.6-15179.253.50000113.1D821 F825 E826 D827D821-T823 PolarHBondContact O-N 3.09Å; T823-F825 PolarHBondContact O-N 3.46Å; T823-E826 PolarHBondContact O-N 2.89Å; T823-D827 PolarHBondContact O-N 3.26Å
824A51Low40Very low50 Ų50121.9 Ų121.941%0.41369%0.689SS.*THydrogen-bonded Turntrans-66.9-25-178.100000113.4D821D821-A824 PolarHBondContact O-N 3.27Å
825F38.9Very low40.5Very low155 Ų155123.6 Ų123.668%0.6870%0.696SS**THydrogen-bonded Turntrans-85.5-24.6174.5-168-105.6000112.2T823 L829T823-F825 PolarHBondContact O-N 3.46Å; F825-L829 HydrophobicContact CD1-CD1 3.94Å; F825-L829 HydrophobicContact CE1-CD1 3.68Å; F825-L829 HydrophobicContact CE1-CG 4.48Å; F825-L829 HydrophobicContact CZ-CD1 4.4Å; F825-L829 WeakPolarHBondContact O-CG 3.26Å
826E50.9Low40.6Very low137 Ų137120.8 Ų120.864%0.6470%0.696SS**Hα-helixtrans-82.1-32.6-177.2-149.9151.1-16200111.5T823 L828 L829 S830T823-E826 PolarHBondContact O-N 2.89Å; E826-L828 VanDerWaalsContact C-N 3.31Å; E826-L828 PolarHBondContact O-N 3.31Å; E826-L829 PolarHBondContact O-N 3.21Å; E826-S830 PolarHBondContact O-N 3.15Å; E826-S830 VanDerWaalsContact O-N 3.13Å
827D53.1Low40.8Very low114 Ų114121.8 Ų121.861%0.6170%0.697SS**Hα-helixtrans-69-25.8170.1-80.1-18.7000113.4T823 S830T823-D827 PolarHBondContact O-N 3.26Å; D827-S830 PolarHBondContact O-OG 3.45Å; D827-S830 VanDerWaalsContact O-OG 3.06Å
828L51.3Low41Very low120 Ų120117.1 Ų117.163%0.62870%0.696SS**Hα-helixtrans-74.5-30.7175.7-120.4117.4000112E826 S831E826-L828 VanDerWaalsContact C-N 3.31Å; E826-L828 PolarHBondContact O-N 3.31Å; L828-S831 PolarHBondContact O-OG 3.5Å
829L45.2Very low41Very low93 Ų93115.3 Ų115.349%0.48769%0.689SS.*Hα-helixtrans-85.5-27.5-179.6-66.9173000112.8F825 E826 S831F825-L829 HydrophobicContact CD1-CD1 3.94Å; F825-L829 HydrophobicContact CE1-CD1 3.68Å; F825-L829 HydrophobicContact CE1-CG 4.48Å; F825-L829 HydrophobicContact CZ-CD1 4.4Å; F825-L829 WeakPolarHBondContact O-CG 3.26Å; E826-L829 PolarHBondContact O-N 3.21Å; L829-S831 VanDerWaalsContact C-N 3.31Å
830S47.2Very low41.2Very low79 Ų79110.6 Ų110.655%0.55268%0.681SS**Hα-helixtrans-70.4-27.3172.967.40000112.7E826 D827 Q832 G833E826-S830 PolarHBondContact O-N 3.15Å; E826-S830 VanDerWaalsContact O-N 3.13Å; D827-S830 PolarHBondContact O-OG 3.45Å; D827-S830 VanDerWaalsContact O-OG 3.06Å; S830-Q832 PolarHBondContact O-N 3.11Å; S830-G833 PolarHBondContact O-N 2.74Å
831S47.2Very low41.1Very low88 Ų88113.2 Ų113.262%0.61569%0.686SS**THydrogen-bonded Turntrans-69-15.7178.677.90000115L828 L829L828-S831 PolarHBondContact O-OG 3.5Å; L829-S831 VanDerWaalsContact C-N 3.31Å
832Q41.9Very low41.2Very low153 Ų153112.5 Ų112.572%0.71568%0.678SS**THydrogen-bonded Turntrans-113.219.4179.6-65.7-162.617.500114.2S830 F834S830-Q832 PolarHBondContact O-N 3.11Å; Q832-F834 WeakPolarHBondContact O-CD2 3.18Å; Q832-F834 PolarHBondContact O-N 3.49Å
833G40.2Very low41.8Very low69 Ų69110.6 Ų110.671%0.71167%0.665SS**THydrogen-bonded Turntrans75.120.8165.700000116.2S830S830-G833 PolarHBondContact O-N 2.74Å
834F36.3Very low42Very low175 Ų175114.8 Ų114.877%0.76868%0.684SS**  trans-98.996.4173-78.5-85.3000110.8Q832Q832-F834 WeakPolarHBondContact O-CD2 3.18Å; Q832-F834 PolarHBondContact O-N 3.49Å
835S41.2Very low42.3Very low120 Ų120115.6 Ų115.684%0.83969%0.691SS**  trans-86.2127.9168.156.50000110.6
836G32.3Very low43.2Very low84 Ų84110.1 Ų110.187%0.86667%0.672SS**  trans-76.7145.5-174.500000114.6
837S35.5Very low43.3Very low119 Ų119109.1 Ų109.183%0.83267%0.668SS**  trans-125.6120.4150.8179.60000108.5S839S837-S839 PolarHBondContact O-N 3.08Å
838A31.9Very low43.8Very low102 Ų102110.3 Ų110.384%0.84367%0.668SS**  trans-79110.5-175.500000111.2
839S31.7Very low44.2Very low107 Ų107109 Ų10975%0.74866%0.659SS**  trans-174.981.2154.345.90000113S837S837-S839 PolarHBondContact O-N 3.08Å
840S33.1Very low44.8Very low102 Ų102109.1 Ų109.171%0.71366%0.657SS**  trans161122.7143.253.90000109.2Q842S840-Q842 PolarHBondContact O-N 2.85Å
841K35.6Very low45.3Very low221 Ų221108.1 Ų108.196%0.96165%0.653SS**  trans-85.485179.5-66.7177.7-179.8176.80108.9
842Q40.9Very low45.7Very low101 Ų101109.3 Ų109.347%0.47265%0.649SS.*  trans-101.7131.1164.6-83.9172.2-38.700109.4S840 E850S840-Q842 PolarHBondContact O-N 2.85Å; Q842-E850 PolarHBondContact NE2-OE1 2.68Å; Q842-E850 PolarHBondContact NE2-OE2 3.29Å
843S51.1Low46.3Very low64 Ų64104.6 Ų104.645%0.44863%0.633SS.*  trans-71.2152.4178.976.30000111.1A845 S846 M847S843-A845 PolarHBondContact O-N 3.43Å; S843-A845 VanDerWaalsContact O-N 3.13Å; S843-S846 WeakPolarHBondContact O-CA 3.47Å; S843-S846 VanDerWaalsContact O-CB 3.3Å; S843-S846 WeakPolarHBondContact O-CB 3.5Å; S843-S846 PolarHBondContact O-N 3.43Å; S843-S846 PolarHBondContact OG-N 3.39Å; S843-S846 VanDerWaalsContact OG-N 3.09Å; S843-S846 PolarHBondContact OG-OG 3.27Å; S843-M847 PolarHBondContact O-N 3.48Å
844L46.5Very low46.8Very low157 Ų157108.9 Ų108.982%0.82263%0.634SS**Hα-helixtrans-53.5-30.5172.2-103.3155.3000112.9K848L844-K848 PolarHBondContact O-N 3.16Å; L844-K848 VanDerWaalsContact O-N 3.15Å
845A56.2Low48Very low67 Ų67104.6 Ų104.655%0.55464%0.639SS**Hα-helixtrans-69.3-37.5173.200000112.4S843 K848 Q849S843-A845 PolarHBondContact O-N 3.43Å; S843-A845 VanDerWaalsContact O-N 3.13Å; A845-K848 PolarHBondContact O-N 3.36Å; A845-Q849 PolarHBondContact O-N 3.24Å
846S58Low49.1Very low40 Ų40100.9 Ų100.928%0.2861%0.61SS.*Hα-helixtrans-65.8-43.1174.1-600000111.7S843 K848 Q849 E850S843-S846 WeakPolarHBondContact O-CA 3.47Å; S843-S846 VanDerWaalsContact O-CB 3.3Å; S843-S846 WeakPolarHBondContact O-CB 3.5Å; S843-S846 PolarHBondContact O-N 3.43Å; S843-S846 PolarHBondContact OG-N 3.39Å; S843-S846 VanDerWaalsContact OG-N 3.09Å; S843-S846 PolarHBondContact OG-OG 3.27Å; S846-K848 VanDerWaalsContact C-N 3.33Å; S846-K848 PolarHBondContact O-N 3.12Å; S846-Q849 PolarHBondContact O-N 3.17Å; S846-E850 WeakPolarHBondContact O-CB 3.39Å; S846-E850 WeakPolarHBondContact O-CG 3.43Å; S846-E850 PolarHBondContact O-N 3.37Å
847M53.8Low51.5Low116 Ų116100 Ų10057%0.57159%0.587SS**Hα-helixtrans-65.4-35.8177.5-70.7-175.472.500112.5S843 A851S843-M847 PolarHBondContact O-N 3.48Å; M847-A851 WeakPolarHBondContact O-CB 3.44Å; M847-A851 PolarHBondContact O-N 2.93Å
848K63.5Low53.8Low140 Ų140101 Ų10161%0.60958%0.584SS**Hα-helixtrans-69.2-41.4175.1-166.1178.1177.8-177.50111.9L844 A845 S846 A851 E852L844-K848 PolarHBondContact O-N 3.16Å; L844-K848 VanDerWaalsContact O-N 3.15Å; A845-K848 PolarHBondContact O-N 3.36Å; S846-K848 VanDerWaalsContact C-N 3.33Å; S846-K848 PolarHBondContact O-N 3.12Å; K848-A851 PolarHBondContact O-N 3.22Å; K848-E852 WeakPolarHBondContact CE-OE1 3.47Å; K848-E852 WeakPolarHBondContact O-CG 3.35Å; K848-E852 PolarHBondContact O-N 2.94Å
849Q58.6Low56.3Low93 Ų9399.4 Ų99.444%0.43556%0.558SS.*Hα-helixtrans-63.4-40.7173.1-89.1-176.5-11.700112.4A845 S846 E852 C853A845-Q849 PolarHBondContact O-N 3.24Å; S846-Q849 PolarHBondContact O-N 3.17Å; Q849-E852 PolarHBondContact O-N 3.46Å; Q849-C853 WeakPolarHBondContact O-CB 2.93Å; Q849-C853 PolarHBondContact O-N 3.06Å; Q849-C853 VanDerWaalsContact O-N 3.09Å; Q849-C853 PolarHBondContact O-SG 3.4Å
850E59Low58.9Low94 Ų9497.6 Ų97.644%0.43954%0.538SS..Hα-helixtrans-65.9-38.9177.4-77.1170.8-167.400111.6Q842 S846 C853 Q854Q842-E850 PolarHBondContact NE2-OE1 2.68Å; Q842-E850 PolarHBondContact NE2-OE2 3.29Å; S846-E850 WeakPolarHBondContact O-CB 3.39Å; S846-E850 WeakPolarHBondContact O-CG 3.43Å; S846-E850 PolarHBondContact O-N 3.37Å; E850-C853 PolarHBondContact O-N 3.23Å; E850-Q854 WeakPolarHBondContact O-CG 2.98Å; E850-Q854 PolarHBondContact O-N 3.14Å
851A57.6Low61.4Low58 Ų5894 Ų9448%0.47951%0.514SS..Hα-helixtrans-68.3-35.817500000113.2M847 K848 C853 Q854M847-A851 WeakPolarHBondContact O-CB 3.44Å; M847-A851 PolarHBondContact O-N 2.93Å; K848-A851 PolarHBondContact O-N 3.22Å; A851-C853 VanDerWaalsContact C-N 3.29Å; A851-C853 PolarHBondContact O-N 3.24Å; A851-Q854 PolarHBondContact O-N 3.42Å
852E54.5Low63.9Low113 Ų11387.7 Ų87.753%0.52849%0.487SS..Hα-helixtrans-75.7-15.9176.3-72.8175.1-170.200113.4K848 Q849K848-E852 WeakPolarHBondContact CE-OE1 3.47Å; K848-E852 WeakPolarHBondContact O-CG 3.35Å; K848-E852 PolarHBondContact O-N 2.94Å; Q849-E852 PolarHBondContact O-N 3.46Å
853C54.8Low66.4Low54 Ų5483.2 Ų83.237%0.36547%0.467SS..THydrogen-bonded Turntrans-94.3-7173.8-63.70000113.4Q849 E850 A851 G855 L856Q849-C853 WeakPolarHBondContact O-CB 2.93Å; Q849-C853 PolarHBondContact O-N 3.06Å; Q849-C853 VanDerWaalsContact O-N 3.09Å; Q849-C853 PolarHBondContact O-SG 3.4Å; E850-C853 PolarHBondContact O-N 3.23Å; A851-C853 VanDerWaalsContact C-N 3.29Å; A851-C853 PolarHBondContact O-N 3.24Å; C853-G855 PolarHBondContact O-N 2.9Å; C853-L856 PolarHBondContact O-N 3.41Å
854Q49.9Very low68.1Low160 Ų16085 Ų8575%0.74846%0.463SS*.THydrogen-bonded Turntrans-68.5112.7175.4-77.6174.416.200110.3E850 A851E850-Q854 WeakPolarHBondContact O-CG 2.98Å; E850-Q854 PolarHBondContact O-N 3.14Å; A851-Q854 PolarHBondContact O-N 3.42Å
855G61.6Low70.1Confident84 Ų8485.1 Ų85.187%0.86646%0.458SS*.THydrogen-bonded Turntrans105.40.9-179.900000115.3C853C853-G855 PolarHBondContact O-N 2.9Å
856L65.7Low71.8Confident43 Ų4382.6 Ų82.623%0.22543%0.434CS..  trans-92.8151.7173.2-101.373000112.1C853 E860C853-L856 PolarHBondContact O-N 3.41Å; L856-E860 HydrophobicContact CB-CB 4.19Å; L856-E860 HydrophobicContact CD2-CB 3.48Å; L856-E860 VanDerWaalsContact CD2-CB 3.48Å; L856-E860 HydrophobicContact CG-CB 3.78Å
857T81.7Confident73.4Confident64 Ų6480.7 Ų80.739%0.39342%0.421SS..  trans-67.9154.5164.458.30000110.9E859 E860 A861T857-E859 WeakPolarHBondContact CB-OE2 3.27Å; T857-E859 PolarHBondContact O-N 2.75Å; T857-E860 PolarHBondContact N-OE2 2.8Å; T857-E860 PolarHBondContact O-N 3.36Å; T857-E860 VanDerWaalsContact O-N 3.11Å; T857-E860 WeakPolarHBondContact OG1-CB 3.25Å; T857-E860 WeakPolarHBondContact OG1-CG 3.26Å; T857-E860 PolarHBondContact OG1-N 2.97Å; T857-E860 PolarHBondContact OG1-OE2 3.12Å; T857-A861 PolarHBondContact O-N 3.12Å
858D83.7Confident75Confident142 Ų14280 Ų8076%0.75942%0.419SS*.Hα-helixtrans-58-34.8179.9-73.4-21.7000111.5K862D858-K862 WeakPolarHBondContact O-CB 3.34Å; D858-K862 PolarHBondContact O-N 2.86Å
859E85.3Confident75.9Confident67 Ų6777.1 Ų77.131%0.31343%0.43SS..Hα-helixtrans-67-44.5175.9-59.884.6172.400112.1T857 A861 K862 V863 L930 L933T857-E859 WeakPolarHBondContact CB-OE2 3.27Å; T857-E859 PolarHBondContact O-N 2.75Å; E859-A861 VanDerWaalsContact C-N 3.35Å; E859-K862 PolarHBondContact O-N 3.27Å; E859-V863 WeakPolarHBondContact O-CG2 3.41Å; E859-V863 PolarHBondContact O-N 3.43Å; E859-L930 HydrophobicContact CB-CB 4.37Å; E859-L930 HydrophobicContact CB-CD1 4.4Å; E859-L930 HydrophobicContact CG-CB 4.21Å; E859-L933 HydrophobicContact CB-CD1 4.19Å
860E86Confident77.2Confident69 Ų6976 Ų7632%0.32242%0.423SS..Hα-helixtrans-64-40.6176.2-72.7169.2141.600111.5L856 T857 K862 V863 R864 L933L856-E860 HydrophobicContact CB-CB 4.19Å; L856-E860 HydrophobicContact CD2-CB 3.48Å; L856-E860 VanDerWaalsContact CD2-CB 3.48Å; L856-E860 HydrophobicContact CG-CB 3.78Å; T857-E860 PolarHBondContact N-OE2 2.8Å; T857-E860 PolarHBondContact O-N 3.36Å; T857-E860 VanDerWaalsContact O-N 3.11Å; T857-E860 WeakPolarHBondContact OG1-CB 3.25Å; T857-E860 WeakPolarHBondContact OG1-CG 3.26Å; T857-E860 PolarHBondContact OG1-N 2.97Å; T857-E860 PolarHBondContact OG1-OE2 3.12Å; E860-K862 VanDerWaalsContact C-N 3.34Å; E860-V863 PolarHBondContact O-N 2.99Å; E860-R864 WeakPolarHBondContact O-CB 3.42Å; E860-R864 PolarHBondContact O-N 2.93Å; E860-L933 HydrophobicContact CB-CD1 4.34Å; E860-L933 HydrophobicContact CG-CD1 3.65Å; E860-L933 HydrophobicContact CG-CD2 4.22Å
861A84.8Confident78.2Confident26 Ų2677 Ų7722%0.21542%0.423CS..Hα-helixtrans-64.3-41.3177.100000110.8T857 E859 R864 K865T857-A861 PolarHBondContact O-N 3.12Å; E859-A861 VanDerWaalsContact C-N 3.35Å; A861-R864 PolarHBondContact O-N 2.96Å; A861-K865 WeakPolarHBondContact O-CB 3.35Å; A861-K865 PolarHBondContact O-N 2.98Å
862K89.7Confident79.2Confident89 Ų8979.2 Ų79.239%0.38742%0.419SS..Hα-helixtrans-62-47.4176.7-163-173.3-174.3-166.80111.9D858 E859 E860 W866 V884D858-K862 WeakPolarHBondContact O-CB 3.34Å; D858-K862 PolarHBondContact O-N 2.86Å; E859-K862 PolarHBondContact O-N 3.27Å; E860-K862 VanDerWaalsContact C-N 3.34Å; K862-W866 WeakPolarHBondContact O-CB 3.19Å; K862-W866 PolarHBondContact O-N 3.34Å; K862-V884 HydrophobicContact CD-CG2 4.41Å; K862-V884 WeakPolarHBondContact CE-O 3.29Å; K862-V884 HydrophobicContact CG-CG2 4.25Å; K862-V884 PolarHBondContact NZ-O 3.08Å
863V91.6Very high80.9Confident7 Ų777.6 Ų77.64%0.04241%0.414CS..Hα-helixtrans-68.4-40.3178.5176.20000111.2E859 E860 K865 W866 A867 V884 L930 L933 I934E859-V863 WeakPolarHBondContact O-CG2 3.41Å; E859-V863 PolarHBondContact O-N 3.43Å; E860-V863 PolarHBondContact O-N 2.99Å; V863-K865 PolarHBondContact O-N 2.95Å; V863-W866 HydrophobicContact CG1-CE3 4.2Å; V863-W866 PolarHBondContact O-N 3.02Å; V863-A867 VanDerWaalsContact O-CB 3.27Å; V863-A867 WeakPolarHBondContact O-CB 3.45Å; V863-A867 PolarHBondContact O-N 2.92Å; V863-V884 HydrophobicContact CG2-CG2 4.16Å; V863-L930 HydrophobicContact CG2-CD1 3.46Å; V863-L930 VanDerWaalsContact CG2-CD1 3.46Å; V863-L933 HydrophobicContact CB-CB 4.27Å; V863-L933 HydrophobicContact CG1-CB 4.2Å; V863-L933 HydrophobicContact CG2-CB 3.81Å; V863-L933 HydrophobicContact CG2-CD1 4.4Å; V863-I934 HydrophobicContact CG2-CG1 3.95Å
864R87.8Confident82.7Confident101 Ų10175.1 Ų75.138%0.38140%0.397SS..Hα-helixtrans-63-42.4178.1-169.6172.8-701613.7111.6E860 A861 D868E860-R864 WeakPolarHBondContact O-CB 3.42Å; E860-R864 PolarHBondContact O-N 2.93Å; A861-R864 PolarHBondContact O-N 2.96Å; R864-D868 WeakPolarHBondContact O-CB 3.2Å; R864-D868 PolarHBondContact O-N 3Å
865K88.5Confident84.7Confident161 Ų16171 Ų7170%0.738%0.375SS*.Hα-helixtrans-66.7-36.6175.2-171.8176.7-177.9176.50113A861 V863A861-K865 WeakPolarHBondContact O-CB 3.35Å; A861-K865 PolarHBondContact O-N 2.98Å; V863-K865 PolarHBondContact O-N 2.95Å
866W92.4Very high86.1Confident14 Ų1467.6 Ų67.65%0.05334%0.339CS..Hα-helixtrans-69.4-42176.1165.871.3000112.7K862 V863 D868 L877 S880 L881 V884 I934 E937 L938K862-W866 WeakPolarHBondContact O-CB 3.19Å; K862-W866 PolarHBondContact O-N 3.34Å; V863-W866 HydrophobicContact CG1-CE3 4.2Å; V863-W866 PolarHBondContact O-N 3.02Å; W866-D868 VanDerWaalsContact C-N 3.34Å; W866-L877 HydrophobicContact CD2-CD2 4.4Å; W866-L877 HydrophobicContact CE3-CD2 4.36Å; W866-L877 HydrophobicContact CH2-CB 4.03Å; W866-L877 HydrophobicContact CH2-CD2 3.78Å; W866-L877 HydrophobicContact CH2-CG 4.31Å; W866-L877 HydrophobicContact CZ2-CB 3.9Å; W866-L877 HydrophobicContact CZ2-CD2 3.8Å; W866-L877 HydrophobicContact CZ2-CG 4.41Å; W866-L877 WeakPolarHBondContact CZ2-O 3.43Å; W866-L877 HydrophobicContact CZ3-CD2 4.06Å; W866-S880 PolarHBondContact NE1-O 2.91Å; W866-S880 PolarHBondContact NE1-OG 3.11Å; W866-L881 HydrophobicContact CH2-CD1 4.09Å; W866-L881 HydrophobicContact CZ2-CB 4.31Å; W866-L881 HydrophobicContact CZ2-CD1 3.86Å; W866-V884 HydrophobicContact CB-CB 3.97Å; W866-V884 HydrophobicContact CB-CG2 3.98Å; W866-V884 HydrophobicContact CD2-CB 3.92Å; W866-V884 HydrophobicContact CD2-CG1 3.58Å; W866-V884 HydrophobicContact CD2-CG2 4.27Å; W866-V884 HydrophobicContact CE3-CB 4.49Å; W866-V884 HydrophobicContact CE3-CG1 4.03Å; W866-V884 HydrophobicContact CE3-CG2 4.43Å; W866-V884 HydrophobicContact CG-CB 3.65Å; W866-V884 HydrophobicContact CG-CG1 3.85Å; W866-V884 HydrophobicContact CG-CG2 4.08Å; W866-V884 HydrophobicContact CH2-CG1 4.4Å; W866-V884 HydrophobicContact CZ2-CG1 4.01Å; W866-V884 HydrophobicContact CZ3-CG1 4.42Å; W866-I934 HydrophobicContact CH2-CG2 4.19Å; W866-I934 HydrophobicContact CZ3-CG2 4.36Å; W866-E937 HydrophobicContact CZ3-CB 4.3Å; W866-E937 HydrophobicContact CZ3-CG 4.35Å; W866-L938 HydrophobicContact CH2-CD2 4.24Å; W866-L938 HydrophobicContact CH2-CG 4.43Å
867A91.1Very high87.5Confident0 Ų065.5 Ų65.50%033%0.328CS..Hα-helixtrans-77.4-20.4-179.400000112.4V863 G869 K870 R871 E937V863-A867 VanDerWaalsContact O-CB 3.27Å; V863-A867 WeakPolarHBondContact O-CB 3.45Å; V863-A867 PolarHBondContact O-N 2.92Å; A867-G869 PolarHBondContact O-N 3.37Å; A867-K870 CarbonylContact O-C 3.41Å; A867-K870 WeakPolarHBondContact O-CA 3.35Å; A867-K870 PolarHBondContact O-N 3.36Å; A867-R871 HydrophobicContact CB-CG 3.97Å; A867-R871 WeakPolarHBondContact O-CG 3.49Å; A867-R871 PolarHBondContact O-N 3.5Å; A867-E937 HydrophobicContact CB-CG 3.92Å
868D87.2Confident88.1Confident100 Ų10062.5 Ų62.554%0.53531%0.31SS..THydrogen-bonded Turntrans-54.8130.4179.7-164.122.2000111.9R864 W866 K870R864-D868 WeakPolarHBondContact O-CB 3.2Å; R864-D868 PolarHBondContact O-N 3Å; W866-D868 VanDerWaalsContact C-N 3.34Å; D868-K870 PolarHBondContact O-N 2.99Å; D868-K870 VanDerWaalsContact O-N 3.07Å
869G82.5Confident88.5Confident81 Ų8156.2 Ų56.284%0.83528%0.279SS*.THydrogen-bonded Turntrans67.7-6.9-172.300000116.8A867A867-G869 PolarHBondContact O-N 3.37Å
870K86.1Confident88.9Confident70 Ų7053.6 Ų53.630%0.30427%0.268SS..THydrogen-bonded Turntrans-119.8-4.4179.2-60.5172-167.7159.60113.8A867 D868 R872 N873 L877 S880A867-K870 CarbonylContact O-C 3.41Å; A867-K870 WeakPolarHBondContact O-CA 3.35Å; A867-K870 PolarHBondContact O-N 3.36Å; D868-K870 PolarHBondContact O-N 2.99Å; D868-K870 VanDerWaalsContact O-N 3.07Å; K870-R872 PolarHBondContact O-N 3.01Å; K870-N873 PolarHBondContact O-N 3.37Å; K870-L877 HydrophobicContact CB-CD2 3.78Å; K870-L877 HydrophobicContact CB-CG 4.42Å; K870-S880 WeakPolarHBondContact CD-OG 3.3Å; K870-S880 VanDerWaalsContact NZ-CB 3.29Å; K870-S880 PolarHBondContact NZ-OG 3.31Å
871R79.1Confident89.2Confident115 Ų11550.3 Ų50.343%0.43425%0.252SS..THydrogen-bonded Turntrans-47131.2174.1-63.6-165.6168.4-98.70.8108.3A867 N873 E937A867-R871 HydrophobicContact CB-CG 3.97Å; A867-R871 WeakPolarHBondContact O-CG 3.49Å; A867-R871 PolarHBondContact O-N 3.5Å; R871-N873 PolarHBondContact O-N 2.86Å; R871-E937 WeakPolarHBondContact CG-OE1 3.4Å; R871-E937 IonicContact CZ-OE1 2.89Å; R871-E937 IonicContact CZ-OE2 2.88Å; R871-E937 IonicContact NE-OE1 3.92Å; R871-E937 IonicContact NH1-OE1 3.34Å; R871-E937 PolarHBondContact NH1-OE1 2.89Å; R871-E937 IonicContact NH1-OE2 3.99Å; R871-E937 PolarHBondContact NH1-OE2 2.71Å
872R80.1Confident89.5Confident104 Ų10452.5 Ų52.539%0.39226%0.258SS..THydrogen-bonded Turntrans73.7-12.1-179.2-48.6175.8146.5150.722.8117R392 K870 I874 E944R392-R872 VanDerWaalsContact CZ-CZ 3.41Å; K870-R872 PolarHBondContact O-N 3.01Å; R872-I874 PolarHBondContact O-N 3.36Å; R872-E944 VanDerWaalsContact CB-OE2 3.25Å; R872-E944 WeakPolarHBondContact CB-OE2 3.49Å; R872-E944 VanDerWaalsContact CD-CD 3.44Å; R872-E944 VanDerWaalsContact CD-OE1 3.26Å; R872-E944 WeakPolarHBondContact CD-OE1 3.37Å; R872-E944 WeakPolarHBondContact CD-OE2 3.36Å; R872-E944 WeakPolarHBondContact CG-OE2 3.45Å; R872-E944 IonicContact CZ-OE2 3.65Å; R872-E944 IonicContact NE-OE1 3.65Å; R872-E944 IonicContact NE-OE2 2.76Å; R872-E944 PolarHBondContact NE-OE2 3.06Å
873N88.3Confident89.6Confident79 Ų7952.1 Ų52.142%0.42226%0.263SS..  trans-91.988.5173.4-176.9-4.5000110K870 R871 R875 G876 L877K870-N873 PolarHBondContact O-N 3.37Å; R871-N873 PolarHBondContact O-N 2.86Å; N873-R875 PolarHBondContact O-N 3.15Å; N873-R875 VanDerWaalsContact O-N 3.1Å; N873-R875 PolarHBondContact OD1-N 3.21Å; N873-G876 PolarHBondContact O-N 3.24Å; N873-G876 PolarHBondContact OD1-N 3.32Å; N873-L877 PolarHBondContact O-N 3.08Å
874I92.9Very high89.7Confident2 Ų251.9 Ų51.91%0.0126%0.262CS..Hα-helixtrans-55.1-33.9-178-170.159.5000112.8R872 L877 L878 V906 Y910 L938 A941 W942 F945R872-I874 PolarHBondContact O-N 3.36Å; I874-L877 PolarHBondContact O-N 3.4Å; I874-L878 HydrophobicContact CD1-CD1 4.37Å; I874-L878 HydrophobicContact CD1-CG 4.15Å; I874-L878 HydrophobicContact CG1-CD1 3.96Å; I874-L878 HydrophobicContact CG1-CG 4.21Å; I874-L878 WeakPolarHBondContact O-CB 3.27Å; I874-L878 VanDerWaalsContact O-CG 3.24Å; I874-L878 WeakPolarHBondContact O-CG 3.4Å; I874-L878 PolarHBondContact O-N 3.32Å; I874-V906 HydrophobicContact CG1-CG1 4.34Å; I874-V906 HydrophobicContact CG2-CG1 3.71Å; I874-Y910 HydrophobicContact CD1-CD2 3.99Å; I874-L938 HydrophobicContact CD1-CD2 4.02Å; I874-A941 HydrophobicContact CB-CB 4.14Å; I874-A941 HydrophobicContact CD1-CB 4.11Å; I874-W942 HydrophobicContact CD1-CB 4.44Å; I874-W942 HydrophobicContact CG1-CE3 4.26Å; I874-F945 HydrophobicContact CB-CB 4.29Å; I874-F945 HydrophobicContact CG2-CB 3.52Å; I874-F945 HydrophobicContact CG2-CD1 3.98Å; I874-F945 HydrophobicContact CG2-CD2 3.81Å; I874-F945 HydrophobicContact CG2-CG 3.46Å; I874-F945 VanDerWaalsContact CG2-CG 3.46Å
875R92.2Very high89.9Confident73 Ų7347.8 Ų47.828%0.27525%0.247SC..Hα-helixtrans-66.3-44178.6-63.2-178171.992.4-5111.3N873 G879 M897 L900 L901 V906N873-R875 PolarHBondContact O-N 3.15Å; N873-R875 VanDerWaalsContact O-N 3.1Å; N873-R875 PolarHBondContact OD1-N 3.21Å; R875-G879 PolarHBondContact O-N 2.96Å; R875-M897 HydrophobicContact CB-CE 4.01Å; R875-L900 HydrophobicContact CB-CB 4.43Å; R875-L900 WeakPolarHBondContact CD-O 2.84Å; R875-L900 HydrophobicContact CG-CB 4.34Å; R875-L900 PolarHBondContact NE-O 3.32Å; R875-L900 WeakPolarHBondContact O-CD1 3.21Å; R875-L901 PolarHBondContact NH2-O 3.14Å; R875-V906 HydrophobicContact CG-CG1 4.46Å; R875-V906 HydrophobicContact CG-CG2 3.99Å
876G92Very high89.9Confident12 Ų1240.9 Ų40.912%0.12422%0.217CC..Hα-helixtrans-65.9-38.7177.300000112.8N873 S880N873-G876 PolarHBondContact O-N 3.24Å; N873-G876 PolarHBondContact OD1-N 3.32Å; G876-S880 PolarHBondContact O-N 3.16Å; G876-S880 PolarHBondContact O-OG 3.17Å
877L94Very high89.6Confident0 Ų045.7 Ų45.70%025%0.25CS..Hα-helixtrans-66-49.8175.7-64.8179.4000111.1W866 K870 N873 I874 G879 S880 L881 E937 L938 A941W866-L877 HydrophobicContact CD2-CD2 4.4Å; W866-L877 HydrophobicContact CE3-CD2 4.36Å; W866-L877 HydrophobicContact CH2-CB 4.03Å; W866-L877 HydrophobicContact CH2-CD2 3.78Å; W866-L877 HydrophobicContact CH2-CG 4.31Å; W866-L877 HydrophobicContact CZ2-CB 3.9Å; W866-L877 HydrophobicContact CZ2-CD2 3.8Å; W866-L877 HydrophobicContact CZ2-CG 4.41Å; W866-L877 WeakPolarHBondContact CZ2-O 3.43Å; W866-L877 HydrophobicContact CZ3-CD2 4.06Å; K870-L877 HydrophobicContact CB-CD2 3.78Å; K870-L877 HydrophobicContact CB-CG 4.42Å; N873-L877 PolarHBondContact O-N 3.08Å; I874-L877 PolarHBondContact O-N 3.4Å; L877-G879 PolarHBondContact O-N 2.9Å; L877-S880 CarbonylContact O-C 2.99Å; L877-S880 PolarHBondContact O-N 3.02Å; L877-L881 WeakPolarHBondContact O-CB 3.2Å; L877-L881 PolarHBondContact O-N 2.87Å; L877-E937 HydrophobicContact CD1-CG 4.19Å; L877-L938 HydrophobicContact CB-CD2 3.97Å; L877-A941 HydrophobicContact CD1-CB 3.54Å
878L94.5Very high89.2Confident0 Ų052 Ų520%028%0.28CS..Hα-helixtrans-60.7-42.6177.7-67.6173.9000112.2I874 S880 L881 W892 L900 V906 A913 L938I874-L878 HydrophobicContact CD1-CD1 4.37Å; I874-L878 HydrophobicContact CD1-CG 4.15Å; I874-L878 HydrophobicContact CG1-CD1 3.96Å; I874-L878 HydrophobicContact CG1-CG 4.21Å; I874-L878 WeakPolarHBondContact O-CB 3.27Å; I874-L878 VanDerWaalsContact O-CG 3.24Å; I874-L878 WeakPolarHBondContact O-CG 3.4Å; I874-L878 PolarHBondContact O-N 3.32Å; L878-S880 PolarHBondContact O-N 3.49Å; L878-L881 PolarHBondContact O-N 3.09Å; L878-W892 HydrophobicContact CB-CZ2 4.5Å; L878-W892 HydrophobicContact CD2-CH2 3.89Å; L878-W892 HydrophobicContact CD2-CZ2 4.31Å; L878-W892 WeakPolarHBondContact O-CZ2 3.29Å; L878-L900 HydrophobicContact CB-CD1 3.77Å; L878-L900 HydrophobicContact CB-CD2 4.44Å; L878-L900 HydrophobicContact CD1-CD2 4.09Å; L878-V906 HydrophobicContact CD1-CG1 4.16Å; L878-A913 HydrophobicContact CD2-CB 3.51Å; L878-L938 HydrophobicContact CD2-CD2 4.17Å
879G91.8Very high89Confident10 Ų1047.8 Ų47.810%0.10326%0.257CS..Hα-helixtrans-63.3-28.2178.400000113.7R875 L877 H882 V895R875-G879 PolarHBondContact O-N 2.96Å; L877-G879 PolarHBondContact O-N 2.9Å; G879-H882 PolarHBondContact O-CE1 3.42Å; G879-H882 PolarHBondContact O-ND1 2.84Å; G879-H882 VanDerWaalsContact O-ND1 3.12Å; G879-V895 WeakPolarHBondContact CA-O 3.32Å
880S93.6Very high89.1Confident12 Ų1251 Ų518%0.08426%0.255CS..Hα-helixtrans-112.310.3-178.159.80000114.5W866 K870 G876 L877 L878 H882 T883W866-S880 PolarHBondContact NE1-O 2.91Å; W866-S880 PolarHBondContact NE1-OG 3.11Å; K870-S880 WeakPolarHBondContact CD-OG 3.3Å; K870-S880 VanDerWaalsContact NZ-CB 3.29Å; K870-S880 PolarHBondContact NZ-OG 3.31Å; G876-S880 PolarHBondContact O-N 3.16Å; G876-S880 PolarHBondContact O-OG 3.17Å; L877-S880 CarbonylContact O-C 2.99Å; L877-S880 PolarHBondContact O-N 3.02Å; L878-S880 PolarHBondContact O-N 3.49Å; S880-H882 PolarHBondContact O-N 3.36Å; S880-T883 PolarHBondContact O-N 2.9Å; S880-T883 PolarHBondContact O-OG1 3.48Å
881L93.8Very high88.9Confident0 Ų055.1 Ų55.10%027%0.269CS..G310 helixtrans-62.5-28.7-177.3178.659.8000112.5W866 L877 L878 T883 V884 I885 W892 A913 I934 L938W866-L881 HydrophobicContact CH2-CD1 4.09Å; W866-L881 HydrophobicContact CZ2-CB 4.31Å; W866-L881 HydrophobicContact CZ2-CD1 3.86Å; L877-L881 WeakPolarHBondContact O-CB 3.2Å; L877-L881 PolarHBondContact O-N 2.87Å; L878-L881 PolarHBondContact O-N 3.09Å; L881-T883 PolarHBondContact O-N 3.41Å; L881-V884 HydrophobicContact CD1-CG1 3.87Å; L881-V884 WeakPolarHBondContact O-CG1 3.36Å; L881-V884 PolarHBondContact O-N 3.1Å; L881-I885 HydrophobicContact CD1-CD1 3.74Å; L881-I885 HydrophobicContact CD1-CG1 3.78Å; L881-I885 HydrophobicContact CD2-CD1 3.92Å; L881-I885 HydrophobicContact CG-CD1 3.48Å; L881-I885 VanDerWaalsContact CG-CD1 3.48Å; L881-I885 HydrophobicContact CG-CG1 3.99Å; L881-I885 WeakPolarHBondContact O-CG1 3.44Å; L881-I885 PolarHBondContact O-N 3.14Å; L881-W892 HydrophobicContact CB-CZ2 4.26Å; L881-W892 HydrophobicContact CD2-CD2 3.72Å; L881-W892 HydrophobicContact CD2-CE3 4.14Å; L881-W892 HydrophobicContact CD2-CG 4.13Å; L881-W892 HydrophobicContact CD2-CH2 4.31Å; L881-W892 HydrophobicContact CD2-CZ2 3.91Å; L881-W892 HydrophobicContact CD2-CZ3 4.43Å; L881-W892 HydrophobicContact CG-CD2 4.35Å; L881-W892 HydrophobicContact CG-CG 4.34Å; L881-A913 HydrophobicContact CD2-CB 3.56Å; L881-I934 HydrophobicContact CD1-CG2 3.53Å; L881-L938 HydrophobicContact CD1-CD1 4.45Å; L881-L938 HydrophobicContact CD2-CD1 4.17Å
882H91.2Very high89.4Confident72 Ų7250.8 Ų50.833%0.33325%0.252SS..G310 helixtrans-62.8-17.7175.266-87.6000113.8G879 S880 E894G879-H882 PolarHBondContact O-CE1 3.42Å; G879-H882 PolarHBondContact O-ND1 2.84Å; G879-H882 VanDerWaalsContact O-ND1 3.12Å; S880-H882 PolarHBondContact O-N 3.36Å; H882-E894 HydrophobicContact CB-CB 4.39Å; H882-E894 IonicContact CE1-OE1 3.71Å; H882-E894 IonicContact NE2-OE1 2.73Å
883T91.7Very high89.8Confident82 Ų8253.7 Ų53.750%0.50327%0.27SS..G310 helixtrans-86.3-18.5-18072.60000113.5S880 L881S880-T883 PolarHBondContact O-N 2.9Å; S880-T883 PolarHBondContact O-OG1 3.48Å; L881-T883 PolarHBondContact O-N 3.41Å
884V93.1Very high89.9Confident1 Ų156.6 Ų56.61%0.00628%0.282CS..THydrogen-bonded Turntrans-107.3-34-176.368.70000112.3K862 V863 W866 L881 L930 I934K862-V884 HydrophobicContact CD-CG2 4.41Å; K862-V884 WeakPolarHBondContact CE-O 3.29Å; K862-V884 HydrophobicContact CG-CG2 4.25Å; K862-V884 PolarHBondContact NZ-O 3.08Å; V863-V884 HydrophobicContact CG2-CG2 4.16Å; W866-V884 HydrophobicContact CB-CB 3.97Å; W866-V884 HydrophobicContact CB-CG2 3.98Å; W866-V884 HydrophobicContact CD2-CB 3.92Å; W866-V884 HydrophobicContact CD2-CG1 3.58Å; W866-V884 HydrophobicContact CD2-CG2 4.27Å; W866-V884 HydrophobicContact CE3-CB 4.49Å; W866-V884 HydrophobicContact CE3-CG1 4.03Å; W866-V884 HydrophobicContact CE3-CG2 4.43Å; W866-V884 HydrophobicContact CG-CB 3.65Å; W866-V884 HydrophobicContact CG-CG1 3.85Å; W866-V884 HydrophobicContact CG-CG2 4.08Å; W866-V884 HydrophobicContact CH2-CG1 4.4Å; W866-V884 HydrophobicContact CZ2-CG1 4.01Å; W866-V884 HydrophobicContact CZ3-CG1 4.42Å; L881-V884 HydrophobicContact CD1-CG1 3.87Å; L881-V884 WeakPolarHBondContact O-CG1 3.36Å; L881-V884 PolarHBondContact O-N 3.1Å; V884-L930 HydrophobicContact CG2-CD1 4.35Å; V884-I934 HydrophobicContact CG1-CD1 3.82Å; V884-I934 HydrophobicContact CG1-CG1 4.1Å; V884-I934 HydrophobicContact CG2-CD1 4.09Å; V884-I934 HydrophobicContact CG2-CG1 4.25Å
885I90.8Very high89.7Confident16 Ų1656.9 Ų56.98%0.08228%0.283CS..SBendtrans-59.6147173.1-70.3-176.5000109.9L881 N889 W892 V917 I934L881-I885 HydrophobicContact CD1-CD1 3.74Å; L881-I885 HydrophobicContact CD1-CG1 3.78Å; L881-I885 HydrophobicContact CD2-CD1 3.92Å; L881-I885 HydrophobicContact CG-CD1 3.48Å; L881-I885 VanDerWaalsContact CG-CD1 3.48Å; L881-I885 HydrophobicContact CG-CG1 3.99Å; L881-I885 WeakPolarHBondContact O-CG1 3.44Å; L881-I885 PolarHBondContact O-N 3.14Å; I885-N889 HydrophobicContact CG2-CB 3.5Å; I885-N889 VanDerWaalsContact CG2-CB 3.5Å; I885-W892 HydrophobicContact CD1-CB 3.8Å; I885-W892 HydrophobicContact CD1-CG 4Å; I885-V917 HydrophobicContact CD1-CG1 3.6Å; I885-V917 HydrophobicContact CG1-CG1 3.95Å; I885-I934 HydrophobicContact CG1-CD1 4.27Å
886W90.5Very high89.5Confident15 Ų1556.4 Ų56.46%0.05729%0.291CS..  trans-77.7148.4179.155.798000111.2E888 N889 F922 H927 L930 A931W886-E888 VanDerWaalsContact CD1-OE2 3.3Å; W886-E888 PolarHBondContact O-N 2.76Å; W886-E888 VanDerWaalsContact O-N 3.09Å; W886-N889 HydrophobicContact CD2-CB 4.33Å; W886-N889 HydrophobicContact CG-CB 4.48Å; W886-N889 HydrophobicContact CZ2-CB 4.15Å; W886-N889 WeakPolarHBondContact CZ2-ND2 3.3Å; W886-N889 PolarHBondContact O-N 3.13Å; W886-N889 VanDerWaalsContact O-N 3.12Å; W886-F922 HydrophobicContact CH2-CD1 4.37Å; W886-F922 HydrophobicContact CH2-CD2 4.2Å; W886-F922 HydrophobicContact CH2-CE1 4.22Å; W886-F922 HydrophobicContact CH2-CE2 4.03Å; W886-F922 HydrophobicContact CH2-CG 4.37Å; W886-F922 HydrophobicContact CH2-CZ 4.03Å; W886-F922 AromaticContact CZ2-CD1 3.82Å; W886-F922 HydrophobicContact CZ2-CD1 3.82Å; W886-F922 HydrophobicContact CZ2-CD2 4.39Å; W886-F922 AromaticContact CZ2-CE1 3.48Å; W886-F922 HydrophobicContact CZ2-CE1 3.48Å; W886-F922 VanDerWaalsContact CZ2-CE1 3.48Å; W886-F922 HydrophobicContact CZ2-CE2 4.09Å; W886-F922 HydrophobicContact CZ2-CG 4.27Å; W886-F922 AromaticContact CZ2-CZ 3.61Å; W886-F922 HydrophobicContact CZ2-CZ 3.61Å; W886-H927 AromaticContact CD1-CD2 3.58Å; W886-H927 AromaticContact CD1-CE1 3.8Å; W886-H927 AromaticContact CD1-CG 3.88Å; W886-H927 AromaticContact CD1-NE2 3.54Å; W886-H927 HydrophobicContact CD2-CB 3.82Å; W886-H927 AromaticContact CD2-CG 3.6Å; W886-H927 AromaticContact CD2-ND1 3.8Å; W886-H927 AromaticContact CE2-CD2 3.75Å; W886-H927 AromaticContact CE2-CG 3.61Å; W886-H927 HydrophobicContact CE3-CB 3.94Å; W886-H927 AromaticContact CG-CD2 3.96Å; W886-H927 AromaticContact CG-CE1 3.73Å; W886-H927 AromaticContact CG-CG 3.81Å; W886-H927 AromaticContact CG-ND1 3.67Å; W886-H927 AromaticContact CG-NE2 3.93Å; W886-H927 HydrophobicContact CH2-CB 3.84Å; W886-H927 HydrophobicContact CZ2-CB 3.7Å; W886-H927 HydrophobicContact CZ3-CB 3.95Å; W886-H927 AromaticContact NE1-CD2 3.41Å; W886-H927 PolarHBondContact NE1-CD2 3.35Å; W886-H927 AromaticContact NE1-CG 3.75Å; W886-H927 AromaticContact NE1-NE2 3.88Å; W886-L930 HydrophobicContact CE3-CD2 3.75Å; W886-L930 HydrophobicContact CE3-CG 4.26Å; W886-L930 HydrophobicContact CZ3-CD2 4.28Å; W886-L930 HydrophobicContact CZ3-CG 4.28Å; W886-A931 HydrophobicContact CH2-CB 3.92Å; W886-A931 HydrophobicContact CZ3-CB 4.29Å
887P84.1Confident89.3Confident116 Ų11660.5 Ų60.575%0.75331%0.308SS*.THydrogen-bonded Turntrans-57.5-27.1-172.8-24.934.4000114.9N889P887-N889 PolarHBondContact O-N 2.93Å
888E83Confident88.9Confident132 Ų13263.8 Ų63.862%0.61733%0.331SS*.THydrogen-bonded Turntrans-77.1-3.2-177.6-5377.1-173.600113.4W886 D890W886-E888 VanDerWaalsContact CD1-OE2 3.3Å; W886-E888 PolarHBondContact O-N 2.76Å; W886-E888 VanDerWaalsContact O-N 3.09Å; E888-D890 PolarHBondContact O-N 3.4Å
889N84.3Confident88.5Confident11 Ų1168.5 Ų68.56%0.05935%0.353CS..  trans-94.687.4179.2-166.8-15.5000112.4I885 W886 P887 R891 A916I885-N889 HydrophobicContact CG2-CB 3.5Å; I885-N889 VanDerWaalsContact CG2-CB 3.5Å; W886-N889 HydrophobicContact CD2-CB 4.33Å; W886-N889 HydrophobicContact CG-CB 4.48Å; W886-N889 HydrophobicContact CZ2-CB 4.15Å; W886-N889 WeakPolarHBondContact CZ2-ND2 3.3Å; W886-N889 PolarHBondContact O-N 3.13Å; W886-N889 VanDerWaalsContact O-N 3.12Å; P887-N889 PolarHBondContact O-N 2.93Å; N889-R891 PolarHBondContact O-N 2.88Å; N889-R891 WeakPolarHBondContact OD1-CB 3.5Å; N889-R891 WeakPolarHBondContact OD1-CG 3.27Å; N889-R891 PolarHBondContact OD1-N 3.27Å; N889-R891 VanDerWaalsContact OD1-N 3.13Å; N889-A916 PolarHBondContact ND2-O 3.49Å
890D83.4Confident88.3Confident149 Ų14968 Ų6880%0.79735%0.348SS*.THydrogen-bonded Turntrans-69.70.3177.4-61.2-29000114.3E888 W892E888-D890 PolarHBondContact O-N 3.4Å; D890-W892 VanDerWaalsContact C-N 3.31Å; D890-W892 PolarHBondContact O-N 3.04Å
891R83.2Confident87.9Confident156 Ų15673.7 Ų73.759%0.58938%0.377SS*.THydrogen-bonded Turntrans-81.7-9-175.2-55.1178.1-178.2-102.54.8113.4N889 A916N889-R891 PolarHBondContact O-N 2.88Å; N889-R891 WeakPolarHBondContact OD1-CB 3.5Å; N889-R891 WeakPolarHBondContact OD1-CG 3.27Å; N889-R891 PolarHBondContact OD1-N 3.27Å; N889-R891 VanDerWaalsContact OD1-N 3.13Å; R891-A916 HydrophobicContact CB-CB 3.75Å
892W89.7Confident87.5Confident25 Ų2576.3 Ų76.310%0.09540%0.398CS..  trans-125.7130.4178.3-171.1-101.5000111.5L878 L881 I885 D890 V895 Y909 K912 A913 A916L878-W892 HydrophobicContact CB-CZ2 4.5Å; L878-W892 HydrophobicContact CD2-CH2 3.89Å; L878-W892 HydrophobicContact CD2-CZ2 4.31Å; L878-W892 WeakPolarHBondContact O-CZ2 3.29Å; L881-W892 HydrophobicContact CB-CZ2 4.26Å; L881-W892 HydrophobicContact CD2-CD2 3.72Å; L881-W892 HydrophobicContact CD2-CE3 4.14Å; L881-W892 HydrophobicContact CD2-CG 4.13Å; L881-W892 HydrophobicContact CD2-CH2 4.31Å; L881-W892 HydrophobicContact CD2-CZ2 3.91Å; L881-W892 HydrophobicContact CD2-CZ3 4.43Å; L881-W892 HydrophobicContact CG-CD2 4.35Å; L881-W892 HydrophobicContact CG-CG 4.34Å; I885-W892 HydrophobicContact CD1-CB 3.8Å; I885-W892 HydrophobicContact CD1-CG 4Å; D890-W892 VanDerWaalsContact C-N 3.31Å; D890-W892 PolarHBondContact O-N 3.04Å; W892-V895 HydrophobicContact CH2-CG2 3.96Å; W892-V895 HydrophobicContact CZ2-CB 4.47Å; W892-V895 HydrophobicContact CZ2-CG2 3.55Å; W892-Y909 HydrophobicContact CH2-CD1 4.2Å; W892-Y909 WeakPolarHBondContact CZ3-O 3.45Å; W892-K912 HydrophobicContact CZ3-CB 3.86Å; W892-A913 HydrophobicContact CE3-CB 4.05Å; W892-A913 HydrophobicContact CH2-CB 3.8Å; W892-A913 VanDerWaalsContact CZ3-CA 3.43Å; W892-A913 HydrophobicContact CZ3-CB 3.52Å; W892-A913 VanDerWaalsContact CZ3-N 3.27Å; W892-A916 HydrophobicContact CB-CB 4.18Å; W892-A916 HydrophobicContact CE3-CB 4.5Å
893Q86.7Confident87.3Confident164 Ų16474.7 Ų74.777%0.76640%0.398SS*.  trans-111.6149.3173.1-68.7-178.4-18.600109.2V895Q893-V895 WeakPolarHBondContact O-CG2 3.1Å; Q893-V895 PolarHBondContact O-N 2.83Å
894E90.3Very high87Confident141 Ų14179 Ų7966%0.65941%0.41SS*.  trans-55.1129.6175.9179.5175.1-178.900111H882H882-E894 HydrophobicContact CB-CB 4.39Å; H882-E894 IonicContact CE1-OE1 3.71Å; H882-E894 IonicContact NE2-OE1 2.73Å
895V89.3Confident86.8Confident7 Ų781.9 Ų81.94%0.04242%0.423CS..  trans-111.6114.3-179-174.20000108.4G879 W892 Q893 H899 L900 Y909G879-V895 WeakPolarHBondContact CA-O 3.32Å; W892-V895 HydrophobicContact CH2-CG2 3.96Å; W892-V895 HydrophobicContact CZ2-CB 4.47Å; W892-V895 HydrophobicContact CZ2-CG2 3.55Å; Q893-V895 WeakPolarHBondContact O-CG2 3.1Å; Q893-V895 PolarHBondContact O-N 2.83Å; V895-H899 HydrophobicContact CG1-CB 4.02Å; V895-L900 HydrophobicContact CG1-CD1 4.14Å; V895-L900 HydrophobicContact CG1-CD2 4.09Å; V895-L900 HydrophobicContact CG1-CG 3.91Å; V895-Y909 HydrophobicContact CB-CD1 4.32Å; V895-Y909 HydrophobicContact CB-CE1 4.22Å; V895-Y909 HydrophobicContact CG1-CD1 3.84Å; V895-Y909 HydrophobicContact CG1-CD2 4.27Å; V895-Y909 HydrophobicContact CG1-CE1 3.64Å; V895-Y909 HydrophobicContact CG1-CE2 4.13Å; V895-Y909 HydrophobicContact CG1-CG 4.14Å; V895-Y909 HydrophobicContact CG2-CD1 3.48Å; V895-Y909 VanDerWaalsContact CG2-CD1 3.48Å; V895-Y909 HydrophobicContact CG2-CE1 3.46Å; V895-Y909 VanDerWaalsContact CG2-CE1 3.46Å; V895-Y909 HydrophobicContact CG2-CG 4.41Å
896S88.7Confident86.9Confident64 Ų6481.1 Ų81.145%0.44842%0.419SS..  trans-63143.6173.5-177.10000111.3S898 H899S896-S898 PolarHBondContact O-N 3.41Å; S896-S898 PolarHBondContact OG-OG 3.16Å; S896-H899 PolarHBondContact O-N 2.88Å
897M87.8Confident87Confident98 Ų9883.9 Ų83.948%0.48343%0.431SS..G310 helixtrans-56.6-24.6177.5-72-61.2-62.300113.2R875 H899 L900R875-M897 HydrophobicContact CB-CE 4.01Å; M897-H899 PolarHBondContact O-N 2.99Å; M897-L900 PolarHBondContact O-N 3.31Å; M897-L900 VanDerWaalsContact O-N 3.14Å; M897-L900 HydrophobicContact SD-CD1 4.4Å
898S84.3Confident87.4Confident68 Ų6882.8 Ų82.848%0.47642%0.415SS..G310 helixtrans-61.4-29.7174.756.70000113.3S896 L900 L901S896-S898 PolarHBondContact O-N 3.41Å; S896-S898 PolarHBondContact OG-OG 3.16Å; S898-L900 VanDerWaalsContact C-N 3.33Å; S898-L901 WeakPolarHBondContact O-CD1 3.29Å; S898-L901 WeakPolarHBondContact O-CG 3.41Å
899H86.7Confident87.9Confident100 Ų10078.4 Ų78.446%0.46339%0.393SS..G310 helixtrans-82.5-11.2178.2-60.4159.6000113.1V895 S896 M897 E905 Y909V895-H899 HydrophobicContact CG1-CB 4.02Å; S896-H899 PolarHBondContact O-N 2.88Å; M897-H899 PolarHBondContact O-N 2.99Å; H899-E905 WeakPolarHBondContact O-CB 3.4Å; H899-Y909 HydrophobicContact CB-CE2 3.95Å
900L87.8Confident88.3Confident0 Ų079.1 Ų79.10%040%0.395CS..G310 helixtrans-105.119.4-175.2-62.5175.2000113R875 L878 V895 M897 S898 V906 Y909R875-L900 HydrophobicContact CB-CB 4.43Å; R875-L900 WeakPolarHBondContact CD-O 2.84Å; R875-L900 HydrophobicContact CG-CB 4.34Å; R875-L900 PolarHBondContact NE-O 3.32Å; R875-L900 WeakPolarHBondContact O-CD1 3.21Å; L878-L900 HydrophobicContact CB-CD1 3.77Å; L878-L900 HydrophobicContact CB-CD2 4.44Å; L878-L900 HydrophobicContact CD1-CD2 4.09Å; V895-L900 HydrophobicContact CG1-CD1 4.14Å; V895-L900 HydrophobicContact CG1-CD2 4.09Å; V895-L900 HydrophobicContact CG1-CG 3.91Å; M897-L900 PolarHBondContact O-N 3.31Å; M897-L900 VanDerWaalsContact O-N 3.14Å; M897-L900 HydrophobicContact SD-CD1 4.4Å; S898-L900 VanDerWaalsContact C-N 3.33Å; L900-V906 HydrophobicContact CB-CG2 4.3Å; L900-V906 HydrophobicContact CD2-CG2 4.49Å; L900-V906 WeakPolarHBondContact O-CG2 3.48Å; L900-Y909 HydrophobicContact CD2-CD2 3.72Å; L900-Y909 HydrophobicContact CD2-CG 3.91Å
901L84.4Confident88.8Confident130 Ų13079.6 Ų79.668%0.68139%0.385SS*.SBendtrans-72.2-54.3-179.3-63173.8000111.5R875 S898R875-L901 PolarHBondContact NH2-O 3.14Å; S898-L901 WeakPolarHBondContact O-CD1 3.29Å; S898-L901 WeakPolarHBondContact O-CG 3.41Å
902A86.3Confident89.3Confident55 Ų5577.1 Ų77.146%0.45538%0.379SS..SBendtrans-81.4136.8-176.800000112.5K904 E905 V906A902-K904 PolarHBondContact O-N 3.05Å; A902-K904 VanDerWaalsContact O-N 3.13Å; A902-E905 PolarHBondContact O-N 3.13Å; A902-V906 WeakPolarHBondContact O-CG2 3.34Å; A902-V906 PolarHBondContact O-N 3.22Å
903A86.6Confident89.5Confident39 Ų3976 Ų7632%0.32237%0.374SS..Hα-helixtrans-56.1-33.3-179.400000113.6V906 K907 F945 T949A903-V906 PolarHBondContact O-N 3.27Å; A903-K907 WeakPolarHBondContact O-CB 3.25Å; A903-K907 PolarHBondContact O-N 3.45Å; A903-F945 HydrophobicContact CB-CE1 4.26Å; A903-F945 HydrophobicContact CB-CZ 3.88Å; A903-T949 HydrophobicContact CB-CG2 4.09Å
904K86.6Confident89.8Confident173 Ų17369 Ų6975%0.75234%0.343SS*.Hα-helixtrans-63.2-42.7175.5-170.5178.4-179.7-179.10112.4A902 K908A902-K904 PolarHBondContact O-N 3.05Å; A902-K904 VanDerWaalsContact O-N 3.13Å; K904-K908 PolarHBondContact O-N 3.03Å; K904-K908 VanDerWaalsContact O-N 3.14Å
905E89.2Confident89.9Confident60 Ų6067.2 Ų67.228%0.2834%0.338SS..Hα-helixtrans-71.9-39.7176.2-70-61.5126.200110.9H899 A902 K907 K908 Y909H899-E905 WeakPolarHBondContact O-CB 3.4Å; A902-E905 PolarHBondContact O-N 3.13Å; E905-K907 VanDerWaalsContact C-N 3.3Å; E905-K907 PolarHBondContact O-N 3.41Å; E905-K908 WeakPolarHBondContact O-CB 3.33Å; E905-K908 PolarHBondContact O-N 3.32Å; E905-K908 VanDerWaalsContact O-N 3.1Å; E905-K908 IonicContact OE1-NZ 2.91Å; E905-K908 PolarHBondContact OE1-NZ 2.98Å; E905-K908 WeakPolarHBondContact OE2-CD 3.45Å; E905-K908 IonicContact OE2-NZ 3.73Å; E905-K908 PolarHBondContact OE2-NZ 2.86Å; E905-Y909 HydrophobicContact CB-CD2 4.46Å; E905-Y909 VanDerWaalsContact O-CD2 3.27Å; E905-Y909 WeakPolarHBondContact O-CD2 3.48Å; E905-Y909 PolarHBondContact O-N 2.89Å
906V91.8Very high90Very high0 Ų066.9 Ų66.90%034%0.336CS..Hα-helixtrans-55.9-45.5173.2-176.40000110.7I874 R875 L878 L900 A902 A903 K908 Y909 Y910 W942 F945I874-V906 HydrophobicContact CG1-CG1 4.34Å; I874-V906 HydrophobicContact CG2-CG1 3.71Å; R875-V906 HydrophobicContact CG-CG1 4.46Å; R875-V906 HydrophobicContact CG-CG2 3.99Å; L878-V906 HydrophobicContact CD1-CG1 4.16Å; L900-V906 HydrophobicContact CB-CG2 4.3Å; L900-V906 HydrophobicContact CD2-CG2 4.49Å; L900-V906 WeakPolarHBondContact O-CG2 3.48Å; A902-V906 WeakPolarHBondContact O-CG2 3.34Å; A902-V906 PolarHBondContact O-N 3.22Å; A903-V906 PolarHBondContact O-N 3.27Å; V906-K908 VanDerWaalsContact C-N 3.34Å; V906-K908 PolarHBondContact O-N 3Å; V906-Y909 PolarHBondContact O-N 2.87Å; V906-Y910 VanDerWaalsContact O-CB 3.25Å; V906-Y910 WeakPolarHBondContact O-CB 3.35Å; V906-Y910 PolarHBondContact O-N 3Å; V906-W942 HydrophobicContact CG1-CZ3 4.15Å; V906-F945 HydrophobicContact CB-CE1 3.96Å; V906-F945 HydrophobicContact CB-CZ 4.15Å; V906-F945 HydrophobicContact CG1-CD1 4.09Å; V906-F945 HydrophobicContact CG1-CE1 3.76Å; V906-F945 HydrophobicContact CG1-CZ 4.13Å; V906-F945 HydrophobicContact CG2-CZ 4.3Å
907K92Very high90.3Very high73 Ų7363.9 Ų63.932%0.31732%0.315SS..Hα-helixtrans-59-42.5175.7-167.3154.5-174.7151.60113A903 E905 R911 W942 E946A903-K907 WeakPolarHBondContact O-CB 3.25Å; A903-K907 PolarHBondContact O-N 3.45Å; E905-K907 VanDerWaalsContact C-N 3.3Å; E905-K907 PolarHBondContact O-N 3.41Å; K907-R911 WeakPolarHBondContact O-CG 3.39Å; K907-R911 PolarHBondContact O-N 3.34Å; K907-R911 VanDerWaalsContact O-N 3.09Å; K907-W942 HydrophobicContact CB-CH2 3.45Å; K907-W942 VanDerWaalsContact CB-CH2 3.45Å; K907-W942 HydrophobicContact CB-CZ2 4.29Å; K907-W942 HydrophobicContact CB-CZ3 4.12Å; K907-W942 HydrophobicContact CD-CH2 3.83Å; K907-W942 HydrophobicContact CD-CZ2 3.87Å; K907-W942 HydrophobicContact CG-CH2 3.45Å; K907-W942 VanDerWaalsContact CG-CH2 3.45Å; K907-W942 HydrophobicContact CG-CZ2 3.78Å; K907-W942 HydrophobicContact CG-CZ3 4.42Å; K907-E946 IonicContact NZ-OE1 3.51Å; K907-E946 PolarHBondContact NZ-OE1 3.45Å
908K92.3Very high90.4Very high94 Ų9462.5 Ų62.541%0.40931%0.308SS..Hα-helixtrans-66.1-45.8178.8177-175.4166.7-161.10111.6K904 E905 V906 K912K904-K908 PolarHBondContact O-N 3.03Å; K904-K908 VanDerWaalsContact O-N 3.14Å; E905-K908 WeakPolarHBondContact O-CB 3.33Å; E905-K908 PolarHBondContact O-N 3.32Å; E905-K908 VanDerWaalsContact O-N 3.1Å; E905-K908 IonicContact OE1-NZ 2.91Å; E905-K908 PolarHBondContact OE1-NZ 2.98Å; E905-K908 WeakPolarHBondContact OE2-CD 3.45Å; E905-K908 IonicContact OE2-NZ 3.73Å; E905-K908 PolarHBondContact OE2-NZ 2.86Å; V906-K908 VanDerWaalsContact C-N 3.34Å; V906-K908 PolarHBondContact O-N 3Å; K908-K912 WeakPolarHBondContact O-CG 3.47Å; K908-K912 PolarHBondContact O-N 2.95Å; K908-K912 VanDerWaalsContact O-N 3.15Å
909Y93.9Very high90.6Very high39 Ų3960.5 Ų60.515%0.15329%0.293CS..Hα-helixtrans-71.1-37178.3-80.3-75.7000112.7W892 V895 H899 L900 E905 V906 K912 A913W892-Y909 HydrophobicContact CH2-CD1 4.2Å; W892-Y909 WeakPolarHBondContact CZ3-O 3.45Å; V895-Y909 HydrophobicContact CB-CD1 4.32Å; V895-Y909 HydrophobicContact CB-CE1 4.22Å; V895-Y909 HydrophobicContact CG1-CD1 3.84Å; V895-Y909 HydrophobicContact CG1-CD2 4.27Å; V895-Y909 HydrophobicContact CG1-CE1 3.64Å; V895-Y909 HydrophobicContact CG1-CE2 4.13Å; V895-Y909 HydrophobicContact CG1-CG 4.14Å; V895-Y909 HydrophobicContact CG2-CD1 3.48Å; V895-Y909 VanDerWaalsContact CG2-CD1 3.48Å; V895-Y909 HydrophobicContact CG2-CE1 3.46Å; V895-Y909 VanDerWaalsContact CG2-CE1 3.46Å; V895-Y909 HydrophobicContact CG2-CG 4.41Å; H899-Y909 HydrophobicContact CB-CE2 3.95Å; L900-Y909 HydrophobicContact CD2-CD2 3.72Å; L900-Y909 HydrophobicContact CD2-CG 3.91Å; E905-Y909 HydrophobicContact CB-CD2 4.46Å; E905-Y909 VanDerWaalsContact O-CD2 3.27Å; E905-Y909 WeakPolarHBondContact O-CD2 3.48Å; E905-Y909 PolarHBondContact O-N 2.89Å; V906-Y909 PolarHBondContact O-N 2.87Å; Y909-K912 HydrophobicContact CD1-CD 4.45Å; Y909-K912 WeakPolarHBondContact O-CB 3.18Å; Y909-K912 PolarHBondContact O-N 2.89Å; Y909-A913 PolarHBondContact O-N 3.4Å
910Y94.3Very high90.7Very high27 Ų2761.5 Ų61.511%0.10630%0.301CS..Hα-helixtrans-56.7-49.8171.1166.8-109.3000111.8I874 V906 K912 A913 C914 L938 N939 W942I874-Y910 HydrophobicContact CD1-CD2 3.99Å; V906-Y910 VanDerWaalsContact O-CB 3.25Å; V906-Y910 WeakPolarHBondContact O-CB 3.35Å; V906-Y910 PolarHBondContact O-N 3Å; Y910-K912 VanDerWaalsContact C-N 3.29Å; Y910-K912 PolarHBondContact O-N 3.18Å; Y910-A913 WeakPolarHBondContact O-CB 3.49Å; Y910-A913 PolarHBondContact O-N 3.34Å; Y910-C914 WeakPolarHBondContact CE2-SG 3.4Å; Y910-C914 PolarHBondContact O-N 2.86Å; Y910-C914 PolarHBondContact O-SG 3.45Å; Y910-C914 VanDerWaalsContact O-SG 3.4Å; Y910-L938 HydrophobicContact CE2-CB 4.41Å; Y910-N939 PolarHBondContact OH-OD1 2.89Å; Y910-W942 HydrophobicContact CD1-CB 4.43Å; Y910-W942 AromaticContact CD1-CD2 3.31Å; Y910-W942 HydrophobicContact CD1-CD2 3.31Å; Y910-W942 AromaticContact CD1-CE2 3.72Å; Y910-W942 AromaticContact CD1-CE3 3.43Å; Y910-W942 HydrophobicContact CD1-CE3 3.43Å; Y910-W942 VanDerWaalsContact CD1-CE3 3.43Å; Y910-W942 AromaticContact CD1-CG 3.75Å; Y910-W942 HydrophobicContact CD1-CG 3.75Å; Y910-W942 HydrophobicContact CD1-CH2 4.39Å; Y910-W942 HydrophobicContact CD1-CZ2 4.24Å; Y910-W942 AromaticContact CD1-CZ3 4Å; Y910-W942 HydrophobicContact CD1-CZ3 4Å; Y910-W942 HydrophobicContact CD2-CB 3.85Å; Y910-W942 HydrophobicContact CD2-CD2 4.1Å; Y910-W942 AromaticContact CD2-CE3 3.95Å; Y910-W942 HydrophobicContact CD2-CE3 3.95Å; Y910-W942 HydrophobicContact CD2-CG 4.06Å; Y910-W942 HydrophobicContact CE1-CB 4Å; Y910-W942 AromaticContact CE1-CD1 3.55Å; Y910-W942 AromaticContact CE1-CD2 3.39Å; Y910-W942 HydrophobicContact CE1-CD2 3.39Å; Y910-W942 AromaticContact CE1-CE2 3.7Å; Y910-W942 HydrophobicContact CE1-CE3 4.01Å; Y910-W942 AromaticContact CE1-CG 3.33Å; Y910-W942 HydrophobicContact CE1-CG 3.33Å; Y910-W942 AromaticContact CE1-NE1 3.76Å; Y910-W942 HydrophobicContact CE2-CB 3.33Å; Y910-W942 HydrophobicContact CE2-CD2 4.16Å; Y910-W942 HydrophobicContact CE2-CE3 4.46Å; Y910-W942 AromaticContact CE2-CG 3.66Å; Y910-W942 HydrophobicContact CE2-CG 3.66Å; Y910-W942 HydrophobicContact CG-CB 4.34Å; Y910-W942 AromaticContact CG-CD2 3.66Å; Y910-W942 HydrophobicContact CG-CD2 3.66Å; Y910-W942 AromaticContact CG-CE3 3.37Å; Y910-W942 HydrophobicContact CG-CE3 3.37Å; Y910-W942 HydrophobicContact CG-CG 4.07Å; Y910-W942 HydrophobicContact CG-CZ3 4.04Å; Y910-W942 AromaticContact CZ-CD1 3.61Å; Y910-W942 AromaticContact CZ-CD2 3.8Å; Y910-W942 AromaticContact CZ-CG 3.24Å
911R93.1Very high90.6Very high158 Ų15865.7 Ų65.760%0.59632%0.32SS*.Hα-helixtrans-57.8-41.7175.7-74.4175.3176-174.6-3.2112.2K907 A913 L915K907-R911 WeakPolarHBondContact O-CG 3.39Å; K907-R911 PolarHBondContact O-N 3.34Å; K907-R911 VanDerWaalsContact O-N 3.09Å; R911-A913 VanDerWaalsContact C-N 3.34Å; R911-L915 VanDerWaalsContact O-CG 3.3Å; R911-L915 WeakPolarHBondContact O-CG 3.2Å; R911-L915 PolarHBondContact O-N 3.26Å; R911-L915 VanDerWaalsContact O-N 3.08Å
912K93.2Very high90.8Very high105 Ų10560.4 Ų60.446%0.45729%0.291SS..Hα-helixtrans-62.2-40.7174.4-73.2-178.4175.8-169.90111.9W892 K908 Y909 Y910 L915 A916W892-K912 HydrophobicContact CZ3-CB 3.86Å; K908-K912 WeakPolarHBondContact O-CG 3.47Å; K908-K912 PolarHBondContact O-N 2.95Å; K908-K912 VanDerWaalsContact O-N 3.15Å; Y909-K912 HydrophobicContact CD1-CD 4.45Å; Y909-K912 WeakPolarHBondContact O-CB 3.18Å; Y909-K912 PolarHBondContact O-N 2.89Å; Y910-K912 VanDerWaalsContact C-N 3.29Å; Y910-K912 PolarHBondContact O-N 3.18Å; K912-L915 PolarHBondContact O-N 3.46Å; K912-A916 PolarHBondContact O-N 3.14Å
913A94.2Very high90.7Very high0 Ų062.2 Ų62.20%030%0.296CS..Hα-helixtrans-65.4-49179.100000110.9L878 L881 W892 Y909 Y910 R911 L915 A916 V917 L938L878-A913 HydrophobicContact CD2-CB 3.51Å; L881-A913 HydrophobicContact CD2-CB 3.56Å; W892-A913 HydrophobicContact CE3-CB 4.05Å; W892-A913 HydrophobicContact CH2-CB 3.8Å; W892-A913 VanDerWaalsContact CZ3-CA 3.43Å; W892-A913 HydrophobicContact CZ3-CB 3.52Å; W892-A913 VanDerWaalsContact CZ3-N 3.27Å; Y909-A913 PolarHBondContact O-N 3.4Å; Y910-A913 WeakPolarHBondContact O-CB 3.49Å; Y910-A913 PolarHBondContact O-N 3.34Å; R911-A913 VanDerWaalsContact C-N 3.34Å; A913-L915 PolarHBondContact O-N 2.95Å; A913-A916 WeakPolarHBondContact O-CA 3.39Å; A913-A916 WeakPolarHBondContact O-CB 3.47Å; A913-A916 PolarHBondContact O-N 3.09Å; A913-V917 WeakPolarHBondContact O-CG2 3.41Å; A913-V917 PolarHBondContact O-N 3.36Å; A913-L938 HydrophobicContact CB-CD1 3.85Å
914C93.6Very high90.5Very high17 Ų1763.8 Ų63.812%0.11532%0.316CS..Hα-helixtrans-54.6-40.3174.4-67.50000111.8Y910 A916 H918 F935Y910-C914 WeakPolarHBondContact CE2-SG 3.4Å; Y910-C914 PolarHBondContact O-N 2.86Å; Y910-C914 PolarHBondContact O-SG 3.45Å; Y910-C914 VanDerWaalsContact O-SG 3.4Å; C914-A916 VanDerWaalsContact C-N 3.35Å; C914-H918 WeakPolarHBondContact O-CA 3.44Å; C914-H918 VanDerWaalsContact O-CB 3.28Å; C914-H918 WeakPolarHBondContact O-CB 3.47Å; C914-H918 PolarHBondContact O-N 2.96Å; C914-F935 HydrophobicContact CB-CD2 4.44Å; C914-F935 HydrophobicContact CB-CE2 3.82Å
915L92Very high90.6Very high104 Ų10458 Ų5855%0.54530%0.296SS..Hα-helixtrans-69.5-29.5176.2-72.3171.2000113.6R911 K912 A913 K921R911-L915 VanDerWaalsContact O-CG 3.3Å; R911-L915 WeakPolarHBondContact O-CG 3.2Å; R911-L915 PolarHBondContact O-N 3.26Å; R911-L915 VanDerWaalsContact O-N 3.08Å; K912-L915 PolarHBondContact O-N 3.46Å; A913-L915 PolarHBondContact O-N 2.95Å; L915-K921 PolarHBondContact O-NZ 3Å
916A92.3Very high90.5Very high1 Ų160.4 Ų60.41%0.00832%0.316CS..Hα-helixtrans-78.7-30.8179.700000112.7N889 R891 W892 K912 A913 C914 F922N889-A916 PolarHBondContact ND2-O 3.49Å; R891-A916 HydrophobicContact CB-CB 3.75Å; W892-A916 HydrophobicContact CB-CB 4.18Å; W892-A916 HydrophobicContact CE3-CB 4.5Å; K912-A916 PolarHBondContact O-N 3.14Å; A913-A916 WeakPolarHBondContact O-CA 3.39Å; A913-A916 WeakPolarHBondContact O-CB 3.47Å; A913-A916 PolarHBondContact O-N 3.09Å; C914-A916 VanDerWaalsContact C-N 3.35Å; A916-F922 VanDerWaalsContact O-CE2 3.3Å; A916-F922 WeakPolarHBondContact O-CE2 3.41Å; A916-F922 VanDerWaalsContact O-CZ 3.32Å; A916-F922 WeakPolarHBondContact O-CZ 3.45Å
917V93.2Very high90.4Very high0 Ų062.8 Ų62.80%033%0.327CS..SBendtrans-117.217.7-177.4-60.80000113.9I885 A913 I934 F935 L938I885-V917 HydrophobicContact CD1-CG1 3.6Å; I885-V917 HydrophobicContact CG1-CG1 3.95Å; A913-V917 WeakPolarHBondContact O-CG2 3.41Å; A913-V917 PolarHBondContact O-N 3.36Å; V917-I934 HydrophobicContact CB-CG2 4.32Å; V917-I934 HydrophobicContact CG1-CG2 4.12Å; V917-I934 HydrophobicContact CG2-CG2 3.98Å; V917-F935 HydrophobicContact CG2-CB 4.32Å; V917-F935 HydrophobicContact CG2-CD2 4.24Å; V917-L938 HydrophobicContact CG2-CD1 3.93Å
918H91.2Very high90.3Very high70 Ų7061.4 Ų61.432%0.32432%0.322SS..  trans-60.9123.5-179.2-165.2-87.4000110.4C914 D920 K921 F922 F935C914-H918 WeakPolarHBondContact O-CA 3.44Å; C914-H918 VanDerWaalsContact O-CB 3.28Å; C914-H918 WeakPolarHBondContact O-CB 3.47Å; C914-H918 PolarHBondContact O-N 2.96Å; H918-D920 VanDerWaalsContact CE1-CB 3.42Å; H918-D920 WeakPolarHBondContact CE1-CB 3.41Å; H918-D920 WeakPolarHBondContact ND1-CB 3.46Å; H918-D920 PolarHBondContact ND1-N 3.3Å; H918-D920 PolarHBondContact O-N 3.43Å; H918-D920 VanDerWaalsContact O-N 3.15Å; H918-K921 HydrophobicContact CB-CD 4.36Å; H918-K921 HydrophobicContact CB-CG 4.34Å; H918-K921 PolarHBondContact O-N 3.02Å; H918-F922 WeakPolarHBondContact O-CD2 3.41Å; H918-F935 AromaticContact CD2-CE2 3.82Å; H918-F935 AromaticContact CD2-CZ 3.95Å
919P87.8Confident90.1Very high25 Ų2560.3 Ų60.316%0.16232%0.323CS..G310 helixtrans-60.4-32.7-17124-35000113K921 F922 V923 K932P919-K921 PolarHBondContact O-N 3.41Å; P919-F922 CarbonylContact O-C 3.32Å; P919-F922 PolarHBondContact O-N 3.03Å; P919-V923 PolarHBondContact O-N 3.45Å; P919-K932 HydrophobicContact CB-CD 4.49Å; P919-K932 HydrophobicContact CB-CG 3.48Å; P919-K932 VanDerWaalsContact CB-CG 3.48Å; P919-K932 HydrophobicContact CG-CG 4.41Å
920D88.4Confident90.1Very high121 Ų12158.9 Ų58.965%0.64732%0.318SS*.G310 helixtrans-59.2-29.2177.4-163.244.6000113.7H918 F922H918-D920 VanDerWaalsContact CE1-CB 3.42Å; H918-D920 WeakPolarHBondContact CE1-CB 3.41Å; H918-D920 WeakPolarHBondContact ND1-CB 3.46Å; H918-D920 PolarHBondContact ND1-N 3.3Å; H918-D920 PolarHBondContact O-N 3.43Å; H918-D920 VanDerWaalsContact O-N 3.15Å; D920-F922 PolarHBondContact O-N 3.27Å
921K86.9Confident90Very high88 Ų8857.6 Ų57.638%0.38331%0.313SS..G310 helixtrans-77.1-9.3178.5-64.6-177.1-178178.10113.4L915 H918 P919L915-K921 PolarHBondContact O-NZ 3Å; H918-K921 HydrophobicContact CB-CD 4.36Å; H918-K921 HydrophobicContact CB-CG 4.34Å; H918-K921 PolarHBondContact O-N 3.02Å; P919-K921 PolarHBondContact O-N 3.41Å
922F88.5Confident90Very high20 Ų2054.5 Ų54.59%0.08830%0.304CS..G310 helixtrans-125.78.8-171.4-58.5-64.7000112.4W886 A916 H918 P919 D920 G924 T925 E928 A931W886-F922 HydrophobicContact CH2-CD1 4.37Å; W886-F922 HydrophobicContact CH2-CD2 4.2Å; W886-F922 HydrophobicContact CH2-CE1 4.22Å; W886-F922 HydrophobicContact CH2-CE2 4.03Å; W886-F922 HydrophobicContact CH2-CG 4.37Å; W886-F922 HydrophobicContact CH2-CZ 4.03Å; W886-F922 AromaticContact CZ2-CD1 3.82Å; W886-F922 HydrophobicContact CZ2-CD1 3.82Å; W886-F922 HydrophobicContact CZ2-CD2 4.39Å; W886-F922 AromaticContact CZ2-CE1 3.48Å; W886-F922 HydrophobicContact CZ2-CE1 3.48Å; W886-F922 VanDerWaalsContact CZ2-CE1 3.48Å; W886-F922 HydrophobicContact CZ2-CE2 4.09Å; W886-F922 HydrophobicContact CZ2-CG 4.27Å; W886-F922 AromaticContact CZ2-CZ 3.61Å; W886-F922 HydrophobicContact CZ2-CZ 3.61Å; A916-F922 VanDerWaalsContact O-CE2 3.3Å; A916-F922 WeakPolarHBondContact O-CE2 3.41Å; A916-F922 VanDerWaalsContact O-CZ 3.32Å; A916-F922 WeakPolarHBondContact O-CZ 3.45Å; H918-F922 WeakPolarHBondContact O-CD2 3.41Å; P919-F922 CarbonylContact O-C 3.32Å; P919-F922 PolarHBondContact O-N 3.03Å; D920-F922 PolarHBondContact O-N 3.27Å; F922-G924 PolarHBondContact O-N 3.01Å; F922-T925 WeakPolarHBondContact CA-OG1 3.2Å; F922-T925 WeakPolarHBondContact CB-OG1 3.48Å; F922-T925 WeakPolarHBondContact O-CB 3.38Å; F922-T925 PolarHBondContact O-N 3.33Å; F922-T925 PolarHBondContact O-OG1 3.1Å; F922-E928 VanDerWaalsContact O-CB 3.3Å; F922-E928 WeakPolarHBondContact O-CB 3.42Å; F922-A931 HydrophobicContact CB-CB 4.36Å; F922-A931 HydrophobicContact CD2-CB 3.67Å; F922-A931 HydrophobicContact CE2-CB 4.38Å; F922-A931 HydrophobicContact CG-CB 4.25Å
923V84.1Confident90Very high92 Ų9251.8 Ų51.856%0.55829%0.294SS*.THydrogen-bonded Turntrans-56.5124.8176.7-179.40000109.7P919 T925 E928P919-V923 PolarHBondContact O-N 3.45Å; V923-T925 VanDerWaalsContact C-N 3.26Å; V923-T925 PolarHBondContact O-N 3.04Å; V923-E928 WeakPolarHBondContact CA-OE2 3.44Å
924G83.1Confident90Very high72 Ų7251.8 Ų51.874%0.74229%0.294SS*.THydrogen-bonded Turntrans78.10.6-177.500000115.4F922 E928F922-G924 PolarHBondContact O-N 3.01Å; G924-E928 PolarHBondContact N-OE2 3.25Å
925T87.5Confident90Very high53 Ų5352.8 Ų52.833%0.32530%0.297SS..SBendtrans-91.2154.8171.5740000110.3F922 V923 H927 E928F922-T925 WeakPolarHBondContact CA-OG1 3.2Å; F922-T925 WeakPolarHBondContact CB-OG1 3.48Å; F922-T925 WeakPolarHBondContact O-CB 3.38Å; F922-T925 PolarHBondContact O-N 3.33Å; F922-T925 PolarHBondContact O-OG1 3.1Å; V923-T925 VanDerWaalsContact C-N 3.26Å; V923-T925 PolarHBondContact O-N 3.04Å; T925-H927 PolarHBondContact O-N 2.8Å; T925-E928 WeakPolarHBondContact O-CB 3.27Å; T925-E928 PolarHBondContact O-N 3.03Å; T925-E928 VanDerWaalsContact O-N 3.12Å
926P87.7Confident90Very high109 Ų10951.4 Ų51.471%0.70829%0.293SS*.THydrogen-bonded Turntrans-60.9-13.9176.625-35.3000113.6
927H88.9Confident90Very high50 Ų5052.3 Ų52.323%0.23130%0.297CS..THydrogen-bonded Turntrans-95.82.5-179-52.6-58.2000113.8W886 T925 T929 L930 A931W886-H927 AromaticContact CD1-CD2 3.58Å; W886-H927 AromaticContact CD1-CE1 3.8Å; W886-H927 AromaticContact CD1-CG 3.88Å; W886-H927 AromaticContact CD1-NE2 3.54Å; W886-H927 HydrophobicContact CD2-CB 3.82Å; W886-H927 AromaticContact CD2-CG 3.6Å; W886-H927 AromaticContact CD2-ND1 3.8Å; W886-H927 AromaticContact CE2-CD2 3.75Å; W886-H927 AromaticContact CE2-CG 3.61Å; W886-H927 HydrophobicContact CE3-CB 3.94Å; W886-H927 AromaticContact CG-CD2 3.96Å; W886-H927 AromaticContact CG-CE1 3.73Å; W886-H927 AromaticContact CG-CG 3.81Å; W886-H927 AromaticContact CG-ND1 3.67Å; W886-H927 AromaticContact CG-NE2 3.93Å; W886-H927 HydrophobicContact CH2-CB 3.84Å; W886-H927 HydrophobicContact CZ2-CB 3.7Å; W886-H927 HydrophobicContact CZ3-CB 3.95Å; W886-H927 AromaticContact NE1-CD2 3.41Å; W886-H927 PolarHBondContact NE1-CD2 3.35Å; W886-H927 AromaticContact NE1-CG 3.75Å; W886-H927 AromaticContact NE1-NE2 3.88Å; T925-H927 PolarHBondContact O-N 2.8Å; H927-T929 PolarHBondContact O-N 2.95Å; H927-L930 PolarHBondContact O-N 3.07Å; H927-A931 VanDerWaalsContact O-CB 3.29Å; H927-A931 WeakPolarHBondContact O-CB 3.42Å; H927-A931 PolarHBondContact O-N 2.89Å
928E89.9Confident90.1Very high44 Ų4452.3 Ų52.321%0.20630%0.297CS..Hα-helixtrans-56.2-50.5-178.1-167.5-174.9144.600112.3F922 V923 G924 T925 L930 A931 K932F922-E928 VanDerWaalsContact O-CB 3.3Å; F922-E928 WeakPolarHBondContact O-CB 3.42Å; V923-E928 WeakPolarHBondContact CA-OE2 3.44Å; G924-E928 PolarHBondContact N-OE2 3.25Å; T925-E928 WeakPolarHBondContact O-CB 3.27Å; T925-E928 PolarHBondContact O-N 3.03Å; T925-E928 VanDerWaalsContact O-N 3.12Å; E928-L930 PolarHBondContact O-N 3.17Å; E928-A931 PolarHBondContact O-N 3.32Å; E928-K932 HydrophobicContact CG-CD 4.31Å; E928-K932 WeakPolarHBondContact O-CB 3.27Å; E928-K932 WeakPolarHBondContact O-CG 3.41Å; E928-K932 PolarHBondContact O-N 3.12Å; E928-K932 VanDerWaalsContact OE1-CE 3.29Å; E928-K932 WeakPolarHBondContact OE1-CE 3.24Å; E928-K932 IonicContact OE1-NZ 2.85Å; E928-K932 PolarHBondContact OE1-NZ 2.81Å
929T89.5Confident90.2Very high71 Ų7150.3 Ų50.344%0.43629%0.288SS..Hα-helixtrans-62.2-45.8-179.1-50.80000111H927 K932 L933H927-T929 PolarHBondContact O-N 2.95Å; T929-K932 PolarHBondContact O-N 3.09Å; T929-L933 HydrophobicContact CG2-CD1 4.2Å; T929-L933 VanDerWaalsContact O-CG 3.29Å; T929-L933 WeakPolarHBondContact O-CG 3.44Å; T929-L933 PolarHBondContact O-N 3.2Å
930L92.5Very high90.4Very high10 Ų1053.1 Ų53.15%0.05230%0.302CS..Hα-helixtrans-63.8-43.5178.3-177.658.4000111.7E859 V863 V884 W886 H927 E928 L933 I934E859-L930 HydrophobicContact CB-CB 4.37Å; E859-L930 HydrophobicContact CB-CD1 4.4Å; E859-L930 HydrophobicContact CG-CB 4.21Å; V863-L930 HydrophobicContact CG2-CD1 3.46Å; V863-L930 VanDerWaalsContact CG2-CD1 3.46Å; V884-L930 HydrophobicContact CG2-CD1 4.35Å; W886-L930 HydrophobicContact CE3-CD2 3.75Å; W886-L930 HydrophobicContact CE3-CG 4.26Å; W886-L930 HydrophobicContact CZ3-CD2 4.28Å; W886-L930 HydrophobicContact CZ3-CG 4.28Å; H927-L930 PolarHBondContact O-N 3.07Å; E928-L930 PolarHBondContact O-N 3.17Å; L930-L933 PolarHBondContact O-N 3.47Å; L930-I934 HydrophobicContact CD1-CD1 4Å; L930-I934 HydrophobicContact CD1-CG1 4.3Å; L930-I934 HydrophobicContact CG-CD1 3.9Å; L930-I934 VanDerWaalsContact O-CG1 3.27Å; L930-I934 WeakPolarHBondContact O-CG1 3.48Å; L930-I934 PolarHBondContact O-N 3.42Å
931A93.4Very high90.5Very high0 Ų047.4 Ų47.40%027%0.272CS..Hα-helixtrans-61.1-45.6176.200000111.7W886 F922 H927 E928 L933 I934 F935W886-A931 HydrophobicContact CH2-CB 3.92Å; W886-A931 HydrophobicContact CZ3-CB 4.29Å; F922-A931 HydrophobicContact CB-CB 4.36Å; F922-A931 HydrophobicContact CD2-CB 3.67Å; F922-A931 HydrophobicContact CE2-CB 4.38Å; F922-A931 HydrophobicContact CG-CB 4.25Å; H927-A931 VanDerWaalsContact O-CB 3.29Å; H927-A931 WeakPolarHBondContact O-CB 3.42Å; H927-A931 PolarHBondContact O-N 2.89Å; E928-A931 PolarHBondContact O-N 3.32Å; A931-L933 PolarHBondContact O-N 3.32Å; A931-I934 PolarHBondContact O-N 3.2Å; A931-F935 WeakPolarHBondContact O-CB 3.45Å; A931-F935 PolarHBondContact O-N 3.06Å
932K92.3Very high90.8Very high93 Ų9343.9 Ų43.940%0.40426%0.256SS..Hα-helixtrans-56.4-49.7174.8-78174.3172.4173.40111.5P919 E928 T929 F935 T936P919-K932 HydrophobicContact CB-CD 4.49Å; P919-K932 HydrophobicContact CB-CG 3.48Å; P919-K932 VanDerWaalsContact CB-CG 3.48Å; P919-K932 HydrophobicContact CG-CG 4.41Å; E928-K932 HydrophobicContact CG-CD 4.31Å; E928-K932 WeakPolarHBondContact O-CB 3.27Å; E928-K932 WeakPolarHBondContact O-CG 3.41Å; E928-K932 PolarHBondContact O-N 3.12Å; E928-K932 VanDerWaalsContact OE1-CE 3.29Å; E928-K932 WeakPolarHBondContact OE1-CE 3.24Å; E928-K932 IonicContact OE1-NZ 2.85Å; E928-K932 PolarHBondContact OE1-NZ 2.81Å; T929-K932 PolarHBondContact O-N 3.09Å; K932-F935 PolarHBondContact O-N 2.9Å; K932-T936 PolarHBondContact O-N 3.29Å; K932-T936 PolarHBondContact O-OG1 2.9Å
933L92.7Very high90.8Very high47 Ų4747.5 Ų47.525%0.24628%0.276CS..Hα-helixtrans-63.6-44.2-179.1-69.5167.9000112.6E859 E860 V863 T929 L930 A931 E937E859-L933 HydrophobicContact CB-CD1 4.19Å; E860-L933 HydrophobicContact CB-CD1 4.34Å; E860-L933 HydrophobicContact CG-CD1 3.65Å; E860-L933 HydrophobicContact CG-CD2 4.22Å; V863-L933 HydrophobicContact CB-CB 4.27Å; V863-L933 HydrophobicContact CG1-CB 4.2Å; V863-L933 HydrophobicContact CG2-CB 3.81Å; V863-L933 HydrophobicContact CG2-CD1 4.4Å; T929-L933 HydrophobicContact CG2-CD1 4.2Å; T929-L933 VanDerWaalsContact O-CG 3.29Å; T929-L933 WeakPolarHBondContact O-CG 3.44Å; T929-L933 PolarHBondContact O-N 3.2Å; L930-L933 PolarHBondContact O-N 3.47Å; A931-L933 PolarHBondContact O-N 3.32Å; L933-E937 PolarHBondContact O-N 3.21Å; L933-E937 VanDerWaalsContact O-N 3.16Å
934I93.9Very high90.8Very high0 Ų045.5 Ų45.50%026%0.261CS..Hα-helixtrans-63.7-44.7176.1-65.9165.7000110.6V863 W866 L881 V884 I885 V917 L930 A931 T936 E937 L938V863-I934 HydrophobicContact CG2-CG1 3.95Å; W866-I934 HydrophobicContact CH2-CG2 4.19Å; W866-I934 HydrophobicContact CZ3-CG2 4.36Å; L881-I934 HydrophobicContact CD1-CG2 3.53Å; V884-I934 HydrophobicContact CG1-CD1 3.82Å; V884-I934 HydrophobicContact CG1-CG1 4.1Å; V884-I934 HydrophobicContact CG2-CD1 4.09Å; V884-I934 HydrophobicContact CG2-CG1 4.25Å; I885-I934 HydrophobicContact CG1-CD1 4.27Å; V917-I934 HydrophobicContact CB-CG2 4.32Å; V917-I934 HydrophobicContact CG1-CG2 4.12Å; V917-I934 HydrophobicContact CG2-CG2 3.98Å; L930-I934 HydrophobicContact CD1-CD1 4Å; L930-I934 HydrophobicContact CD1-CG1 4.3Å; L930-I934 HydrophobicContact CG-CD1 3.9Å; L930-I934 VanDerWaalsContact O-CG1 3.27Å; L930-I934 WeakPolarHBondContact O-CG1 3.48Å; L930-I934 PolarHBondContact O-N 3.42Å; A931-I934 PolarHBondContact O-N 3.2Å; I934-T936 VanDerWaalsContact C-N 3.34Å; I934-T936 PolarHBondContact O-N 3.2Å; I934-E937 PolarHBondContact O-N 3.27Å; I934-L938 HydrophobicContact CG2-CD1 3.89Å; I934-L938 HydrophobicContact CG2-CG 4.26Å; I934-L938 WeakPolarHBondContact O-CB 3.33Å; I934-L938 WeakPolarHBondContact O-CG 3.5Å; I934-L938 PolarHBondContact O-N 3.17Å
935F94.3Very high91Very high38 Ų3843 Ų4317%0.16723%0.23CC..Hα-helixtrans-61.8-41.9-179.3-172.2-96.2000111.7C914 V917 H918 A931 K932 L938 N939C914-F935 HydrophobicContact CB-CD2 4.44Å; C914-F935 HydrophobicContact CB-CE2 3.82Å; V917-F935 HydrophobicContact CG2-CB 4.32Å; V917-F935 HydrophobicContact CG2-CD2 4.24Å; H918-F935 AromaticContact CD2-CE2 3.82Å; H918-F935 AromaticContact CD2-CZ 3.95Å; A931-F935 WeakPolarHBondContact O-CB 3.45Å; A931-F935 PolarHBondContact O-N 3.06Å; K932-F935 PolarHBondContact O-N 2.9Å; F935-L938 PolarHBondContact O-N 3.45Å; F935-N939 VanDerWaalsContact CD1-ND2 3.26Å; F935-N939 WeakPolarHBondContact CD1-ND2 3.18Å; F935-N939 WeakPolarHBondContact CE1-ND2 3.47Å; F935-N939 WeakPolarHBondContact O-CB 3.2Å; F935-N939 VanDerWaalsContact O-CG 3.27Å; F935-N939 PolarHBondContact O-N 2.86Å; F935-N939 PolarHBondContact O-ND2 3.31Å
936T92.6Very high90.9Very high75 Ų7544 Ų4446%0.4623%0.23SC..Hα-helixtrans-60-50.9174.4-58.60000111.3K932 I934 L938 N939 D940K932-T936 PolarHBondContact O-N 3.29Å; K932-T936 PolarHBondContact O-OG1 2.9Å; I934-T936 VanDerWaalsContact C-N 3.34Å; I934-T936 PolarHBondContact O-N 3.2Å; T936-L938 VanDerWaalsContact C-N 3.33Å; T936-L938 PolarHBondContact O-N 3.1Å; T936-N939 PolarHBondContact O-N 3.14Å; T936-D940 WeakPolarHBondContact O-CB 3.2Å; T936-D940 VanDerWaalsContact O-CG 3.32Å; T936-D940 PolarHBondContact O-N 2.96Å
937E92.6Very high90.5Very high21 Ų2139.9 Ų39.910%0.09821%0.206CC..Hα-helixtrans-65.6-35-178.1-162.175.6-154.300112.4W866 A867 R871 L877 L933 I934 A941W866-E937 HydrophobicContact CZ3-CB 4.3Å; W866-E937 HydrophobicContact CZ3-CG 4.35Å; A867-E937 HydrophobicContact CB-CG 3.92Å; R871-E937 WeakPolarHBondContact CG-OE1 3.4Å; R871-E937 IonicContact CZ-OE1 2.89Å; R871-E937 IonicContact CZ-OE2 2.88Å; R871-E937 IonicContact NE-OE1 3.92Å; R871-E937 IonicContact NH1-OE1 3.34Å; R871-E937 PolarHBondContact NH1-OE1 2.89Å; R871-E937 IonicContact NH1-OE2 3.99Å; R871-E937 PolarHBondContact NH1-OE2 2.71Å; L877-E937 HydrophobicContact CD1-CG 4.19Å; L933-E937 PolarHBondContact O-N 3.21Å; L933-E937 VanDerWaalsContact O-N 3.16Å; I934-E937 PolarHBondContact O-N 3.27Å; E937-A941 WeakPolarHBondContact O-CB 3.47Å; E937-A941 PolarHBondContact O-N 3.3Å; E937-A941 VanDerWaalsContact O-N 3.08Å
938L94.7Very high89.9Confident0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-66.4-43.6174.3-74.4175.3000112.2W866 I874 L877 L878 L881 Y910 A913 V917 I934 F935 T936 A941 W942W866-L938 HydrophobicContact CH2-CD2 4.24Å; W866-L938 HydrophobicContact CH2-CG 4.43Å; I874-L938 HydrophobicContact CD1-CD2 4.02Å; L877-L938 HydrophobicContact CB-CD2 3.97Å; L878-L938 HydrophobicContact CD2-CD2 4.17Å; L881-L938 HydrophobicContact CD1-CD1 4.45Å; L881-L938 HydrophobicContact CD2-CD1 4.17Å; Y910-L938 HydrophobicContact CE2-CB 4.41Å; A913-L938 HydrophobicContact CB-CD1 3.85Å; V917-L938 HydrophobicContact CG2-CD1 3.93Å; I934-L938 HydrophobicContact CG2-CD1 3.89Å; I934-L938 HydrophobicContact CG2-CG 4.26Å; I934-L938 WeakPolarHBondContact O-CB 3.33Å; I934-L938 WeakPolarHBondContact O-CG 3.5Å; I934-L938 PolarHBondContact O-N 3.17Å; F935-L938 PolarHBondContact O-N 3.45Å; T936-L938 VanDerWaalsContact C-N 3.33Å; T936-L938 PolarHBondContact O-N 3.1Å; L938-A941 PolarHBondContact O-N 2.97Å; L938-W942 WeakPolarHBondContact O-CB 3.43Å; L938-W942 PolarHBondContact O-N 3.39Å
939N92.9Very high88.9Confident27 Ų2741.1 Ų41.114%0.14422%0.217CC..Hα-helixtrans-65.4-41.7177.6-73.5-16000111.3Y910 F935 T936 A941 W942 N943Y910-N939 PolarHBondContact OH-OD1 2.89Å; F935-N939 VanDerWaalsContact CD1-ND2 3.26Å; F935-N939 WeakPolarHBondContact CD1-ND2 3.18Å; F935-N939 WeakPolarHBondContact CE1-ND2 3.47Å; F935-N939 WeakPolarHBondContact O-CB 3.2Å; F935-N939 VanDerWaalsContact O-CG 3.27Å; F935-N939 PolarHBondContact O-N 2.86Å; F935-N939 PolarHBondContact O-ND2 3.31Å; T936-N939 PolarHBondContact O-N 3.14Å; N939-A941 PolarHBondContact O-N 3.33Å; N939-W942 PolarHBondContact O-N 3Å; N939-N943 WeakPolarHBondContact O-CB 3.46Å; N939-N943 PolarHBondContact O-N 3.44Å; N939-N943 PolarHBondContact O-ND2 2.97Å; N939-N943 VanDerWaalsContact O-ND2 3.15Å
940D91.3Very high87.5Confident85 Ų8541.2 Ų41.246%0.45522%0.218SC..Hα-helixtrans-60.4-46.9177.2-73.9-10.7000111.1T936 N943 E944T936-D940 WeakPolarHBondContact O-CB 3.2Å; T936-D940 VanDerWaalsContact O-CG 3.32Å; T936-D940 PolarHBondContact O-N 2.96Å; D940-N943 PolarHBondContact O-N 2.82Å; D940-E944 PolarHBondContact O-N 3.48Å
941A92.2Very high85.6Confident0 Ų045.3 Ų45.30%024%0.243CC..Hα-helixtrans-68.5-32.8176.700000113.4I874 L877 E937 L938 N939 F945I874-A941 HydrophobicContact CB-CB 4.14Å; I874-A941 HydrophobicContact CD1-CB 4.11Å; L877-A941 HydrophobicContact CD1-CB 3.54Å; E937-A941 WeakPolarHBondContact O-CB 3.47Å; E937-A941 PolarHBondContact O-N 3.3Å; E937-A941 VanDerWaalsContact O-N 3.08Å; L938-A941 PolarHBondContact O-N 2.97Å; N939-A941 PolarHBondContact O-N 3.33Å; A941-F945 WeakPolarHBondContact O-CB 3.34Å; A941-F945 PolarHBondContact O-N 3.44Å
942W91.7Very high83.3Confident14 Ų1450.7 Ų50.75%0.05328%0.276CS..Hα-helixtrans-67.7-44.2174.9176.1-95.1000112.2I874 V906 K907 Y910 L938 N939 E944 F945 E946I874-W942 HydrophobicContact CD1-CB 4.44Å; I874-W942 HydrophobicContact CG1-CE3 4.26Å; V906-W942 HydrophobicContact CG1-CZ3 4.15Å; K907-W942 HydrophobicContact CB-CH2 3.45Å; K907-W942 VanDerWaalsContact CB-CH2 3.45Å; K907-W942 HydrophobicContact CB-CZ2 4.29Å; K907-W942 HydrophobicContact CB-CZ3 4.12Å; K907-W942 HydrophobicContact CD-CH2 3.83Å; K907-W942 HydrophobicContact CD-CZ2 3.87Å; K907-W942 HydrophobicContact CG-CH2 3.45Å; K907-W942 VanDerWaalsContact CG-CH2 3.45Å; K907-W942 HydrophobicContact CG-CZ2 3.78Å; K907-W942 HydrophobicContact CG-CZ3 4.42Å; Y910-W942 HydrophobicContact CD1-CB 4.43Å; Y910-W942 AromaticContact CD1-CD2 3.31Å; Y910-W942 HydrophobicContact CD1-CD2 3.31Å; Y910-W942 AromaticContact CD1-CE2 3.72Å; Y910-W942 AromaticContact CD1-CE3 3.43Å; Y910-W942 HydrophobicContact CD1-CE3 3.43Å; Y910-W942 VanDerWaalsContact CD1-CE3 3.43Å; Y910-W942 AromaticContact CD1-CG 3.75Å; Y910-W942 HydrophobicContact CD1-CG 3.75Å; Y910-W942 HydrophobicContact CD1-CH2 4.39Å; Y910-W942 HydrophobicContact CD1-CZ2 4.24Å; Y910-W942 AromaticContact CD1-CZ3 4Å; Y910-W942 HydrophobicContact CD1-CZ3 4Å; Y910-W942 HydrophobicContact CD2-CB 3.85Å; Y910-W942 HydrophobicContact CD2-CD2 4.1Å; Y910-W942 AromaticContact CD2-CE3 3.95Å; Y910-W942 HydrophobicContact CD2-CE3 3.95Å; Y910-W942 HydrophobicContact CD2-CG 4.06Å; Y910-W942 HydrophobicContact CE1-CB 4Å; Y910-W942 AromaticContact CE1-CD1 3.55Å; Y910-W942 AromaticContact CE1-CD2 3.39Å; Y910-W942 HydrophobicContact CE1-CD2 3.39Å; Y910-W942 AromaticContact CE1-CE2 3.7Å; Y910-W942 HydrophobicContact CE1-CE3 4.01Å; Y910-W942 AromaticContact CE1-CG 3.33Å; Y910-W942 HydrophobicContact CE1-CG 3.33Å; Y910-W942 AromaticContact CE1-NE1 3.76Å; Y910-W942 HydrophobicContact CE2-CB 3.33Å; Y910-W942 HydrophobicContact CE2-CD2 4.16Å; Y910-W942 HydrophobicContact CE2-CE3 4.46Å; Y910-W942 AromaticContact CE2-CG 3.66Å; Y910-W942 HydrophobicContact CE2-CG 3.66Å; Y910-W942 HydrophobicContact CG-CB 4.34Å; Y910-W942 AromaticContact CG-CD2 3.66Å; Y910-W942 HydrophobicContact CG-CD2 3.66Å; Y910-W942 AromaticContact CG-CE3 3.37Å; Y910-W942 HydrophobicContact CG-CE3 3.37Å; Y910-W942 HydrophobicContact CG-CG 4.07Å; Y910-W942 HydrophobicContact CG-CZ3 4.04Å; Y910-W942 AromaticContact CZ-CD1 3.61Å; Y910-W942 AromaticContact CZ-CD2 3.8Å; Y910-W942 AromaticContact CZ-CG 3.24Å; L938-W942 WeakPolarHBondContact O-CB 3.43Å; L938-W942 PolarHBondContact O-N 3.39Å; N939-W942 PolarHBondContact O-N 3Å; W942-E944 PolarHBondContact O-N 3.15Å; W942-F945 HydrophobicContact CE3-CD1 4.07Å; W942-F945 HydrophobicContact CH2-CD1 4.14Å; W942-F945 HydrophobicContact CH2-CE1 4.34Å; W942-F945 AromaticContact CZ3-CD1 3.67Å; W942-F945 HydrophobicContact CZ3-CD1 3.67Å; W942-F945 HydrophobicContact CZ3-CE1 4.04Å; W942-F945 PolarHBondContact O-N 3.46Å; W942-F945 VanDerWaalsContact O-N 3.09Å; W942-E946 HydrophobicContact CH2-CG 4.46Å; W942-E946 HydrophobicContact CZ2-CG 3.65Å; W942-E946 WeakPolarHBondContact CZ2-OE1 3.4Å; W942-E946 VanDerWaalsContact NE1-CD 3.25Å; W942-E946 PolarHBondContact NE1-OE2 3.29Å; W942-E946 PolarHBondContact O-N 3.12Å
943N88.6Confident80.8Confident96 Ų9650.7 Ų50.751%0.51329%0.288SS..Hα-helixtrans-57.3-37.2177.5-72-27.7000111.2N939 D940 A947N939-N943 WeakPolarHBondContact O-CB 3.46Å; N939-N943 PolarHBondContact O-N 3.44Å; N939-N943 PolarHBondContact O-ND2 2.97Å; N939-N943 VanDerWaalsContact O-ND2 3.15Å; D940-N943 PolarHBondContact O-N 2.82Å; N943-A947 WeakPolarHBondContact O-CB 3.44Å; N943-A947 PolarHBondContact O-N 2.81Å; N943-A947 VanDerWaalsContact O-N 3.15Å
944E84.6Confident77.9Confident51 Ų5158.2 Ų58.224%0.23832%0.319CS..Hα-helixtrans-71.6-42.7175.2-160153.4174.600112.2R872 D940 W942 E946 A947 D948R872-E944 VanDerWaalsContact CB-OE2 3.25Å; R872-E944 WeakPolarHBondContact CB-OE2 3.49Å; R872-E944 VanDerWaalsContact CD-CD 3.44Å; R872-E944 VanDerWaalsContact CD-OE1 3.26Å; R872-E944 WeakPolarHBondContact CD-OE1 3.37Å; R872-E944 WeakPolarHBondContact CD-OE2 3.36Å; R872-E944 WeakPolarHBondContact CG-OE2 3.45Å; R872-E944 IonicContact CZ-OE2 3.65Å; R872-E944 IonicContact NE-OE1 3.65Å; R872-E944 IonicContact NE-OE2 2.76Å; R872-E944 PolarHBondContact NE-OE2 3.06Å; D940-E944 PolarHBondContact O-N 3.48Å; W942-E944 PolarHBondContact O-N 3.15Å; E944-E946 PolarHBondContact O-N 2.86Å; E944-A947 WeakPolarHBondContact O-CB 3.42Å; E944-A947 PolarHBondContact O-N 3.2Å; E944-D948 PolarHBondContact O-N 3.16Å; E944-D948 VanDerWaalsContact O-N 3.08Å
945F87.9Confident77.1Confident20 Ų2061.2 Ų61.29%0.08834%0.335CS..Hα-helixtrans-64.2-38.9176.2-179.6-107.3000114I874 A903 V906 A941 W942 A947 D948 T949I874-F945 HydrophobicContact CB-CB 4.29Å; I874-F945 HydrophobicContact CG2-CB 3.52Å; I874-F945 HydrophobicContact CG2-CD1 3.98Å; I874-F945 HydrophobicContact CG2-CD2 3.81Å; I874-F945 HydrophobicContact CG2-CG 3.46Å; I874-F945 VanDerWaalsContact CG2-CG 3.46Å; A903-F945 HydrophobicContact CB-CE1 4.26Å; A903-F945 HydrophobicContact CB-CZ 3.88Å; V906-F945 HydrophobicContact CB-CE1 3.96Å; V906-F945 HydrophobicContact CB-CZ 4.15Å; V906-F945 HydrophobicContact CG1-CD1 4.09Å; V906-F945 HydrophobicContact CG1-CE1 3.76Å; V906-F945 HydrophobicContact CG1-CZ 4.13Å; V906-F945 HydrophobicContact CG2-CZ 4.3Å; A941-F945 WeakPolarHBondContact O-CB 3.34Å; A941-F945 PolarHBondContact O-N 3.44Å; W942-F945 HydrophobicContact CE3-CD1 4.07Å; W942-F945 HydrophobicContact CH2-CD1 4.14Å; W942-F945 HydrophobicContact CH2-CE1 4.34Å; W942-F945 AromaticContact CZ3-CD1 3.67Å; W942-F945 HydrophobicContact CZ3-CD1 3.67Å; W942-F945 HydrophobicContact CZ3-CE1 4.04Å; W942-F945 PolarHBondContact O-N 3.46Å; W942-F945 VanDerWaalsContact O-N 3.09Å; F945-A947 VanDerWaalsContact C-N 3.34Å; F945-D948 PolarHBondContact O-N 3.03Å; F945-T949 WeakPolarHBondContact O-CB 3.3Å; F945-T949 PolarHBondContact O-N 3.09Å; F945-T949 PolarHBondContact O-OG1 3.47Å
946E84.8Confident76.2Confident72 Ų7262.4 Ų62.434%0.33634%0.344SS..Hα-helixtrans-68.2-35.3173.9-107.2-174.7170.400111.3K907 W942 E944 D948 T950K907-E946 IonicContact NZ-OE1 3.51Å; K907-E946 PolarHBondContact NZ-OE1 3.45Å; W942-E946 HydrophobicContact CH2-CG 4.46Å; W942-E946 HydrophobicContact CZ2-CG 3.65Å; W942-E946 WeakPolarHBondContact CZ2-OE1 3.4Å; W942-E946 VanDerWaalsContact NE1-CD 3.25Å; W942-E946 PolarHBondContact NE1-OE2 3.29Å; W942-E946 PolarHBondContact O-N 3.12Å; E944-E946 PolarHBondContact O-N 2.86Å; E946-D948 VanDerWaalsContact C-N 3.32Å; E946-D948 PolarHBondContact O-N 3.06Å; E946-T950 WeakPolarHBondContact O-CB 3.43Å; E946-T950 WeakPolarHBondContact O-CG2 3.4Å; E946-T950 PolarHBondContact O-N 3.13Å; E946-T950 VanDerWaalsContact O-N 3.11Å; E946-T950 PolarHBondContact O-OG1 3.41Å
947A78.6Confident75.3Confident24 Ų2461.7 Ų61.720%0.19834%0.337CS..Hα-helixtrans-64.5-32.7174.600000113.1N943 E944 F945 T950 V951N943-A947 WeakPolarHBondContact O-CB 3.44Å; N943-A947 PolarHBondContact O-N 2.81Å; N943-A947 VanDerWaalsContact O-N 3.15Å; E944-A947 WeakPolarHBondContact O-CB 3.42Å; E944-A947 PolarHBondContact O-N 3.2Å; F945-A947 VanDerWaalsContact C-N 3.34Å; A947-T950 PolarHBondContact O-OG1 3.06Å; A947-V951 VanDerWaalsContact O-CG2 3.27Å; A947-V951 WeakPolarHBondContact O-CG2 3.47Å
948D76Confident74.3Confident73 Ų7364.1 Ų64.139%0.3935%0.351SS..Hα-helixtrans-82.1-38.8176.7-77.7-7.9000113E944 F945 E946 T950 V951 T952E944-D948 PolarHBondContact O-N 3.16Å; E944-D948 VanDerWaalsContact O-N 3.08Å; F945-D948 PolarHBondContact O-N 3.03Å; E946-D948 VanDerWaalsContact C-N 3.32Å; E946-D948 PolarHBondContact O-N 3.06Å; D948-T950 VanDerWaalsContact C-N 3.34Å; D948-T950 PolarHBondContact O-N 3.06Å; D948-V951 PolarHBondContact O-N 3.25Å; D948-T952 PolarHBondContact O-N 3.46Å; D948-T952 PolarHBondContact O-OG1 3.13Å; D948-T952 VanDerWaalsContact O-OG1 3.12Å
949T70.5Confident73Confident46 Ų4668.1 Ų68.128%0.28237%0.373SS..Hα-helixtrans-68-36.1-179.6-53.40000111.5A903 F945 V951 T952 S953A903-T949 HydrophobicContact CB-CG2 4.09Å; F945-T949 WeakPolarHBondContact O-CB 3.3Å; F945-T949 PolarHBondContact O-N 3.09Å; F945-T949 PolarHBondContact O-OG1 3.47Å; T949-V951 VanDerWaalsContact C-N 3.27Å; T949-V951 PolarHBondContact O-N 3.07Å; T949-T952 PolarHBondContact O-N 3.29Å; T949-T952 PolarHBondContact O-OG1 3.35Å; T949-S953 PolarHBondContact O-N 2.98Å
950T60.4Low71.7Confident74 Ų7470.8 Ų70.845%0.45439%0.389SS..Hα-helixtrans-69.9-21.1176.846.30000113.6E946 A947 D948 F954E946-T950 WeakPolarHBondContact O-CB 3.43Å; E946-T950 WeakPolarHBondContact O-CG2 3.4Å; E946-T950 PolarHBondContact O-N 3.13Å; E946-T950 VanDerWaalsContact O-N 3.11Å; E946-T950 PolarHBondContact O-OG1 3.41Å; A947-T950 PolarHBondContact O-OG1 3.06Å; D948-T950 VanDerWaalsContact C-N 3.34Å; D948-T950 PolarHBondContact O-N 3.06Å; T950-F954 VanDerWaalsContact O-CD2 3.31Å; T950-F954 WeakPolarHBondContact O-CD2 3.45Å
951V50.7Low70.3Confident96 Ų9669.8 Ų69.858%0.58238%0.384SS*.Hα-helixtrans-84.3-21.3177.5175.10000111.9A947 D948 T949A947-V951 VanDerWaalsContact O-CG2 3.27Å; A947-V951 WeakPolarHBondContact O-CG2 3.47Å; D948-V951 PolarHBondContact O-N 3.25Å; T949-V951 VanDerWaalsContact C-N 3.27Å; T949-V951 PolarHBondContact O-N 3.07Å
952T45.6Very low68.6Low113 Ų11375.2 Ų75.269%0.69341%0.414SS*.Hα-helixtrans-97.8-8.2-177.342.70000114.4D948 T949D948-T952 PolarHBondContact O-N 3.46Å; D948-T952 PolarHBondContact O-OG1 3.13Å; D948-T952 VanDerWaalsContact O-OG1 3.12Å; T949-T952 PolarHBondContact O-N 3.29Å; T949-T952 PolarHBondContact O-OG1 3.35Å
953S40.8Very low66.6Low92 Ų9280.3 Ų80.364%0.64344%0.444SS*.  trans-95.310.7173.967.20000114.2T949T949-S953 PolarHBondContact O-N 2.98Å
954F31.3Very low64.6Low206 Ų20678.8 Ų78.890%0.90444%0.437SS*.  trans-119.10167.7-74.3-82.6000108.7T950T950-F954 VanDerWaalsContact O-CD2 3.31Å; T950-F954 WeakPolarHBondContact O-CD2 3.45Å

Retrieved 954 of 954 residues in 624.9 ms (Link to these results)

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