A0A077ZG04_TRITR Loading...

DNA replication licensing factor

AlphaFold DB , UniProt , Accession A0A077ZG04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 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
1M54.7Low90.5Very high188 Ų18844.4 Ų44.493%0.92624%0.243SC*.  0122.50-154.7-173.6-77.500106.2L3 E94M1-L3 PolarHBondContact O-N 2.71Å; M1-L3 VanDerWaalsContact O-N 3.13Å; M1-E94 PolarHBondContact N-OE1 2.96Å
2S85.7Confident90.4Very high53 Ų5342.8 Ų42.837%0.37124%0.235SC..  trans-83.416.8-163.259.30000116.1H24 I25S2-H24 WeakPolarHBondContact O-CA 3.4Å; S2-H24 PolarHBondContact O-CD2 3.03Å; S2-H24 PolarHBondContact OG-NE2 3.31Å; S2-I25 WeakPolarHBondContact CB-O 3.5Å; S2-I25 PolarHBondContact O-N 2.79Å; S2-I25 PolarHBondContact OG-O 3.44Å
3L92.5Very high90.4Very high90 Ų9040.2 Ų40.247%0.47122%0.223SC..EExtended strand (participates in β ladder)trans-122.3131.6179179.169000108.6M1 V23 H24M1-L3 PolarHBondContact O-N 2.71Å; M1-L3 VanDerWaalsContact O-N 3.13Å; L3-V23 CarbonylContact C-O 3.58Å; L3-V23 WeakPolarHBondContact CA-O 3.47Å; L3-H24 HydrophobicContact CD1-CB 4.08Å
4S94.8Very high90.4Very high11 Ų1139 Ų398%0.07722%0.217CC..EExtended strand (participates in β ladder)trans-125.7145.8169.8-176.30000110E22 V23 A88 A91S4-E22 CarbonylContact O-C 3.5Å; S4-E22 WeakPolarHBondContact O-CA 3.44Å; S4-V23 PolarHBondContact N-O 3.05Å; S4-V23 PolarHBondContact O-N 3.01Å; S4-A88 VanDerWaalsContact CB-O 3.23Å; S4-A88 WeakPolarHBondContact CB-O 3.31Å; S4-A91 VanDerWaalsContact OG-CB 3.29Å; S4-A91 WeakPolarHBondContact OG-CB 3.07Å
5I96Very high90.5Very high65 Ų6542.2 Ų42.233%0.33323%0.234SC..EExtended strand (participates in β ladder)trans-124.4132.9174.8-54.3-178.3000107.7T20 V21 E22I5-T20 HydrophobicContact CG2-CG2 4.31Å; I5-V21 CarbonylContact C-O 3.51Å; I5-V21 WeakPolarHBondContact CA-O 3.04Å; I5-E22 HydrophobicContact CG1-CG 4.19Å; I5-E22 HydrophobicContact CG2-CG 4.35Å
6V97Very high90.8Very high1 Ų139.8 Ų39.81%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-129.1137.2176.1172.90000109V21 P84 I87 A88 L101 L106V6-V21 HydrophobicContact CB-CB 4.4Å; V6-V21 PolarHBondContact N-O 3.31Å; V6-V21 PolarHBondContact O-N 2.94Å; V6-P84 HydrophobicContact CB-CB 4.35Å; V6-P84 HydrophobicContact CG1-CB 3.51Å; V6-I87 HydrophobicContact CG2-CG2 4.12Å; V6-A88 HydrophobicContact CB-CB 4.25Å; V6-A88 HydrophobicContact CG2-CB 3.66Å; V6-L101 HydrophobicContact CG2-CD1 4.23Å; V6-L101 HydrophobicContact CG2-CD2 3.53Å; V6-L101 HydrophobicContact CG2-CG 3.97Å; V6-L106 HydrophobicContact CG1-CB 4.37Å; V6-L106 HydrophobicContact CG1-CD1 3.78Å; V6-L106 HydrophobicContact CG1-CG 4.07Å
7H97.7Very high91Very high30 Ų3039.2 Ų39.214%0.13922%0.219CC..EExtended strand (participates in β ladder)trans-88140.3176.3-60.6-67.3000111.5E105 L106 R134H7-E105 HydrophobicContact CB-CB 4.49Å; H7-E105 HydrophobicContact CB-CG 3.86Å; H7-E105 CarbonylContact O-C 3.37Å; H7-E105 VanDerWaalsContact O-CA 3.3Å; H7-E105 WeakPolarHBondContact O-CA 3.18Å; H7-L106 PolarHBondContact O-N 3.26Å; H7-R134 PolarHBondContact CD2-NE 2.95Å; H7-R134 PolarHBondContact CE1-NH2 2.92Å; H7-R134 PolarHBondContact NE2-NH2 3.06Å
8T97.3Very high91.3Very high0 Ų041.4 Ų41.40%024%0.236CC..EExtended strand (participates in β ladder)trans-152.2-174.6174.9-168.70000109.6I19 V21 Y81 P84 L106T8-I19 CarbonylContact C-O 3.5Å; T8-I19 HydrophobicContact CG2-CB 3.68Å; T8-I19 HydrophobicContact CG2-CG2 3.7Å; T8-I19 PolarHBondContact N-O 2.82Å; T8-I19 PolarHBondContact O-N 3.23Å; T8-V21 HydrophobicContact CG2-CG2 3.7Å; T8-Y81 HydrophobicContact CG2-CD1 3.98Å; T8-Y81 HydrophobicContact CG2-CE1 4.3Å; T8-P84 HydrophobicContact CG2-CB 4.43Å; T8-P84 HydrophobicContact CG2-CG 4.12Å; T8-L106 WeakPolarHBondContact CB-O 3.39Å; T8-L106 PolarHBondContact OG1-O 3.41Å
9R96.1Very high91.5Very high13 Ų1339.3 Ų39.35%0.04922%0.224CC..EExtended strand (participates in β ladder)trans-135.4141.8-175.8-63.9-80.2165.6157.69110.8A16 P17 R80 E105 E128 S132R9-A16 HydrophobicContact CB-CB 4.15Å; R9-A16 WeakPolarHBondContact CD-O 3.35Å; R9-A16 HydrophobicContact CG-CB 4.49Å; R9-A16 PolarHBondContact NH1-O 3.28Å; R9-A16 VanDerWaalsContact NH1-O 3.14Å; R9-P17 WeakPolarHBondContact CA-O 3.34Å; R9-R80 PolarHBondContact O-NH1 2.81Å; R9-E105 WeakPolarHBondContact CD-OE2 3.38Å; R9-E105 WeakPolarHBondContact CG-OE2 2.97Å; R9-E105 IonicContact CZ-OE1 3.78Å; R9-E105 IonicContact CZ-OE2 2.88Å; R9-E105 IonicContact NE-OE1 3.25Å; R9-E105 PolarHBondContact NE-OE1 2.9Å; R9-E105 IonicContact NE-OE2 2.71Å; R9-E105 PolarHBondContact NE-OE2 3.24Å; R9-E105 IonicContact NH2-OE1 2.95Å; R9-E105 PolarHBondContact NH2-OE1 2.92Å; R9-E105 IonicContact NH2-OE2 2.82Å; R9-E128 PolarHBondContact NH2-O 3.35Å; R9-S132 PolarHBondContact NH2-OG 2.81Å
10A92.9Very high91.8Very high0 Ų039.2 Ų39.20%022%0.224CC..  trans-78.4166.8165.800000110.7L12 A16 P17 I19 R80A10-L12 HydrophobicContact CB-CG 4.48Å; A10-A16 WeakPolarHBondContact O-CA 3.47Å; A10-P17 HydrophobicContact CB-CG 3.87Å; A10-P17 PolarHBondContact N-O 3.17Å; A10-I19 HydrophobicContact CB-CD1 4.27Å; A10-I19 HydrophobicContact CB-CG1 3.93Å; A10-R80 PolarHBondContact O-NH1 2.78Å; A10-R80 VanDerWaalsContact O-NH1 3.16Å
11A91Very high92Very high37 Ų3737.3 Ų37.331%0.30621%0.213SC..  trans-114.7107.5169.300000108.8
12L89.6Confident94Very high26 Ų2631.2 Ų31.214%0.13618%0.182CC..BIsolated β-bridgetrans-124.282.6177.8-60.3-177.3000109.3A10 V14 N15 P17 L74 P75A10-L12 HydrophobicContact CB-CG 4.48Å; L12-V14 PolarHBondContact O-N 2.78Å; L12-N15 PolarHBondContact N-O 2.89Å; L12-N15 WeakPolarHBondContact O-CB 3.37Å; L12-N15 PolarHBondContact O-N 3.16Å; L12-N15 VanDerWaalsContact O-N 3.08Å; L12-P17 HydrophobicContact CD1-CG 3.78Å; L12-P17 HydrophobicContact CG-CG 4.23Å; L12-L74 HydrophobicContact CD1-CD2 3.87Å; L12-P75 HydrophobicContact CD2-CG 3.49Å; L12-P75 VanDerWaalsContact CD2-CG 3.49Å
13G89.2Confident94.4Very high8 Ų828.7 Ų28.78%0.08217%0.165CC..THydrogen-bonded Turntrans61-129-169.400000110.1N15 L251 Y334G13-N15 VanDerWaalsContact C-N 3.26Å; G13-N15 PolarHBondContact O-N 3.11Å; G13-L251 VanDerWaalsContact C-CD1 3.45Å; G13-Y334 WeakPolarHBondContact CA-OH 3.48Å
14V91.4Very high94.6Very high24 Ų2428.1 Ų28.115%0.14516%0.16CC..THydrogen-bonded Turntrans-78.3-8.3176-66.30000113.9L12 S124 A247 I248 L251 Y334L12-V14 PolarHBondContact O-N 2.78Å; V14-S124 WeakPolarHBondContact O-CB 3.42Å; V14-S124 PolarHBondContact O-OG 3.07Å; V14-A247 HydrophobicContact CG1-CB 4.48Å; V14-I248 HydrophobicContact CG1-CB 4.33Å; V14-I248 HydrophobicContact CG1-CG1 3.49Å; V14-I248 VanDerWaalsContact CG1-CG1 3.49Å; V14-L251 HydrophobicContact CG1-CD1 4.14Å; V14-Y334 HydrophobicContact CG1-CD1 3.98Å; V14-Y334 HydrophobicContact CG1-CE1 4.18Å; V14-Y334 HydrophobicContact CG2-CD1 4.26Å
15N92Very high94.6Very high87 Ų8728.1 Ų28.147%0.46516%0.158SC..BIsolated β-bridgetrans-91.3144.3179.8-63-47.9000111.3L12 G13L12-N15 PolarHBondContact N-O 2.89Å; L12-N15 WeakPolarHBondContact O-CB 3.37Å; L12-N15 PolarHBondContact O-N 3.16Å; L12-N15 VanDerWaalsContact O-N 3.08Å; G13-N15 VanDerWaalsContact C-N 3.26Å; G13-N15 PolarHBondContact O-N 3.11Å
16A94.4Very high94.4Very high4 Ų426.5 Ų26.53%0.03315%0.153CC..  trans-125.978.7176.600000110.6R9 A10 E128R9-A16 HydrophobicContact CB-CB 4.15Å; R9-A16 WeakPolarHBondContact CD-O 3.35Å; R9-A16 HydrophobicContact CG-CB 4.49Å; R9-A16 PolarHBondContact NH1-O 3.28Å; R9-A16 VanDerWaalsContact NH1-O 3.14Å; A10-A16 WeakPolarHBondContact O-CA 3.47Å; A16-E128 HydrophobicContact CB-CB 4.29Å; A16-E128 HydrophobicContact CB-CG 4.22Å
17P94.3Very high94.1Very high29 Ų2936.4 Ų36.419%0.18820%0.196CC..  trans-68.5147.6-179.531.1-37000110.9R9 A10 L12 L74R9-P17 WeakPolarHBondContact CA-O 3.34Å; A10-P17 HydrophobicContact CB-CG 3.87Å; A10-P17 PolarHBondContact N-O 3.17Å; L12-P17 HydrophobicContact CD1-CG 3.78Å; L12-P17 HydrophobicContact CG-CG 4.23Å; P17-L74 HydrophobicContact CB-CD1 3.75Å; P17-L74 HydrophobicContact CG-CD1 3.72Å; P17-L74 HydrophobicContact CG-CD2 4.37Å
18P96.3Very high93.7Very high79 Ų7937.2 Ų37.251%0.51321%0.213SC..EExtended strand (participates in β ladder)trans-66.6138-178.828.9-34.6000111.3
19I96Very high93.3Very high2 Ų244.8 Ų44.81%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-124.7137.9171.1-61.6-62.1000108.2T8 A10 A70 L74 Y81T8-I19 CarbonylContact C-O 3.5Å; T8-I19 HydrophobicContact CG2-CB 3.68Å; T8-I19 HydrophobicContact CG2-CG2 3.7Å; T8-I19 PolarHBondContact N-O 2.82Å; T8-I19 PolarHBondContact O-N 3.23Å; A10-I19 HydrophobicContact CB-CD1 4.27Å; A10-I19 HydrophobicContact CB-CG1 3.93Å; I19-A70 CarbonylContact C-O 3.6Å; I19-A70 WeakPolarHBondContact CA-O 3.43Å; I19-A70 WeakPolarHBondContact CG2-O 3.3Å; I19-L74 HydrophobicContact CD1-CB 4.25Å; I19-L74 HydrophobicContact CD1-CD1 3.7Å; I19-Y81 HydrophobicContact CG1-CE1 4.43Å; I19-Y81 HydrophobicContact CG2-CE1 4.46Å
20T96.5Very high93Very high36 Ų3648.6 Ų48.622%0.22128%0.279CS..EExtended strand (participates in β ladder)trans-103.1132.2166.351.30000109.9I5 L69 A70I5-T20 HydrophobicContact CG2-CG2 4.31Å; T20-L69 WeakPolarHBondContact O-CA 2.98Å; T20-A70 PolarHBondContact N-O 3.46Å; T20-A70 PolarHBondContact O-N 3.49Å
21V96.3Very high92.8Very high0 Ų050.3 Ų50.30%030%0.297CS..EExtended strand (participates in β ladder)trans-100.1109.2169.5-174.50000107.4I5 V6 T8 V23 I67 N68 L69 P84 I85 A88I5-V21 CarbonylContact C-O 3.51Å; I5-V21 WeakPolarHBondContact CA-O 3.04Å; V6-V21 HydrophobicContact CB-CB 4.4Å; V6-V21 PolarHBondContact N-O 3.31Å; V6-V21 PolarHBondContact O-N 2.94Å; T8-V21 HydrophobicContact CG2-CG2 3.7Å; V21-V23 HydrophobicContact CG1-CG2 4.28Å; V21-I67 HydrophobicContact CG1-CG2 4.13Å; V21-N68 WeakPolarHBondContact CA-O 3.43Å; V21-L69 HydrophobicContact CB-CD2 4.16Å; V21-L69 HydrophobicContact CG1-CD2 3.9Å; V21-L69 HydrophobicContact CG2-CD2 3.67Å; V21-P84 HydrophobicContact CB-CB 4.49Å; V21-P84 HydrophobicContact CG2-CB 3.84Å; V21-P84 HydrophobicContact CG2-CG 4.15Å; V21-I85 HydrophobicContact CG1-CB 4.45Å; V21-I85 HydrophobicContact CG1-CG1 3.72Å; V21-A88 HydrophobicContact CG1-CB 4.25Å
22E96Very high92.9Very high61 Ų6150.5 Ų50.529%0.28529%0.292SS..EExtended strand (participates in β ladder)trans-107125.7179.3-53.4167.7175.700108.7S4 I5 I67 N68S4-E22 CarbonylContact O-C 3.5Å; S4-E22 WeakPolarHBondContact O-CA 3.44Å; I5-E22 HydrophobicContact CG1-CG 4.19Å; I5-E22 HydrophobicContact CG2-CG 4.35Å; E22-I67 CarbonylContact O-C 3.52Å; E22-I67 WeakPolarHBondContact O-CA 3.36Å; E22-N68 HydrophobicContact CB-CB 4.22Å; E22-N68 PolarHBondContact N-O 2.93Å; E22-N68 PolarHBondContact O-N 3.4Å; E22-N68 PolarHBondContact OE2-ND2 3.27Å
23V95.7Very high93Very high0 Ų052.6 Ų52.60%031%0.306CS..EExtended strand (participates in β ladder)trans-120.8120.9-179.9176.50000109.6L3 S4 V21 I25 I65 T66 I67 A88 L89 A92L3-V23 CarbonylContact C-O 3.58Å; L3-V23 WeakPolarHBondContact CA-O 3.47Å; S4-V23 PolarHBondContact N-O 3.05Å; S4-V23 PolarHBondContact O-N 3.01Å; V21-V23 HydrophobicContact CG1-CG2 4.28Å; V23-I25 HydrophobicContact CG1-CG1 4.26Å; V23-I65 HydrophobicContact CG1-CG2 4.21Å; V23-T66 WeakPolarHBondContact CA-O 3.39Å; V23-I67 HydrophobicContact CG2-CG1 4.1Å; V23-I67 HydrophobicContact CG2-CG2 4.3Å; V23-A88 HydrophobicContact CB-CB 3.95Å; V23-A88 HydrophobicContact CG2-CB 3.39Å; V23-L89 HydrophobicContact CG1-CD2 3.69Å; V23-L89 HydrophobicContact CG1-CG 4.15Å; V23-A92 HydrophobicContact CB-CB 4.38Å; V23-A92 HydrophobicContact CG1-CB 4.03Å
24H95.3Very high93Very high78 Ų7853.6 Ų53.636%0.36131%0.309SS..EExtended strand (participates in β ladder)trans-115.1125.3175.8-179-121.3000111.1S2 L3 T66S2-H24 WeakPolarHBondContact O-CA 3.4Å; S2-H24 PolarHBondContact O-CD2 3.03Å; S2-H24 PolarHBondContact OG-NE2 3.31Å; L3-H24 HydrophobicContact CD1-CB 4.08Å; H24-T66 PolarHBondContact N-O 2.87Å; H24-T66 PolarHBondContact O-N 2.96Å
25I94.8Very high92.9Very high10 Ų1055.3 Ų55.35%0.05132%0.319CS..EExtended strand (participates in β ladder)trans-108.5113179.2-56.4-176.3000109.9S2 V23 P61 K63 A92S2-I25 WeakPolarHBondContact CB-O 3.5Å; S2-I25 PolarHBondContact O-N 2.79Å; S2-I25 PolarHBondContact OG-O 3.44Å; V23-I25 HydrophobicContact CG1-CG1 4.26Å; I25-P61 HydrophobicContact CD1-CB 4.14Å; I25-P61 HydrophobicContact CD1-CG 3.93Å; I25-K63 HydrophobicContact CG2-CB 3.59Å; I25-K63 HydrophobicContact CG2-CD 3.58Å; I25-K63 HydrophobicContact CG2-CG 4.21Å; I25-A92 HydrophobicContact CD1-CB 3.77Å; I25-A92 HydrophobicContact CG1-CB 3.93Å
26S93.4Very high92.5Very high31 Ų3151.7 Ų51.722%0.21730%0.303CS..EExtended strand (participates in β ladder)trans-114160-176.258.60000112.4K64S26-K64 PolarHBondContact N-O 3.32Å; S26-K64 PolarHBondContact O-N 2.85Å; S26-K64 WeakPolarHBondContact OG-CB 3.46Å; S26-K64 PolarHBondContact OG-O 3.34Å
27K90.5Very high91.6Very high209 Ų20957.8 Ų57.891%0.90933%0.334SS*.SBendtrans-66.2134.7168.6-63.6-177.3-178.6179.70109.1
28G88.5Confident90.7Very high48 Ų4857 Ų5750%0.49533%0.329SS..SBendtrans156.2177.618000000111.6
29L88.8Confident89.9Confident158 Ų15856.4 Ų56.483%0.82732%0.319SS*.SBendtrans-59140.9173.8-70.7170.6000110.3G31L29-G31 PolarHBondContact O-N 3.17Å
30P89.7Confident89.2Confident93 Ų9360.4 Ų60.460%0.60434%0.344SS*.SBendtrans-52.6126.5175.3-25.833.6000111.4A62P30-A62 HydrophobicContact CG-CB 4.49Å
31G90.2Very high88.4Confident37 Ų3761.6 Ų61.638%0.38135%0.351SS..EExtended strand (participates in β ladder)trans-176.3147.5-17900000110.8L29 K63 I65L29-G31 PolarHBondContact O-N 3.17Å; G31-K63 PolarHBondContact N-O 3.13Å; G31-I65 PolarHBondContact O-N 2.69Å
32L91.1Very high87.6Confident40 Ų4061.6 Ų61.621%0.20935%0.351CS..EExtended strand (participates in β ladder)trans-117.1127.4178.3-179.1145.4000109.9M34 R46 Y60 I65 I67L32-M34 HydrophobicContact CD2-CB 4.38Å; L32-M34 HydrophobicContact CD2-CE 4.48Å; L32-R46 HydrophobicContact CB-CG 4.4Å; L32-R46 HydrophobicContact CD1-CG 3.95Å; L32-R46 HydrophobicContact CD2-CB 4.19Å; L32-R46 HydrophobicContact CD2-CG 4Å; L32-R46 HydrophobicContact CG-CG 4.34Å; L32-Y60 VanDerWaalsContact CD1-OH 3.3Å; L32-Y60 WeakPolarHBondContact CD1-OH 3.34Å; L32-I65 WeakPolarHBondContact CA-O 3.36Å; L32-I65 HydrophobicContact CD1-CG2 4.33Å; L32-I67 HydrophobicContact CD1-CD1 3.51Å; L32-I67 HydrophobicContact CD1-CG1 4.42Å; L32-I67 HydrophobicContact CD2-CD1 4.34Å; L32-I67 HydrophobicContact CG-CD1 4.06Å
33T91.8Very high87Confident70 Ų7064.3 Ų64.343%0.42936%0.362SS..EExtended strand (participates in β ladder)trans-118.5125.8172.2-56.20000108.7V35 I65 T66 I67T33-V35 HydrophobicContact CG2-CG1 4.14Å; T33-I65 PolarHBondContact N-O 2.99Å; T33-T66 CarbonylContact O-C 3.54Å; T33-T66 WeakPolarHBondContact O-CA 3.48Å; T33-I67 PolarHBondContact O-N 2.92Å
34M90.7Very high86.5Confident30 Ų3069.6 Ų69.615%0.14839%0.387CS..EExtended strand (participates in β ladder)trans-109.8126.9175.9-162.7-178.1-68.200109.6L32 P38 V42 I67 L69 I85L32-M34 HydrophobicContact CD2-CB 4.38Å; L32-M34 HydrophobicContact CD2-CE 4.48Å; M34-P38 HydrophobicContact CB-CG 4.26Å; M34-P38 HydrophobicContact CG-CB 4.3Å; M34-P38 HydrophobicContact CG-CG 3.87Å; M34-P38 HydrophobicContact SD-CB 3.61Å; M34-P38 HydrophobicContact SD-CG 3.76Å; M34-V42 WeakPolarHBondContact CE-O 3.49Å; M34-V42 HydrophobicContact SD-CG1 3.78Å; M34-I67 CarbonylContact C-O 3.47Å; M34-I67 VanDerWaalsContact CA-O 3.31Å; M34-I67 WeakPolarHBondContact CA-O 3.47Å; M34-I67 HydrophobicContact CE-CD1 4.39Å; M34-I67 HydrophobicContact CG-CB 4.31Å; M34-I67 HydrophobicContact CG-CG2 4.43Å; M34-L69 HydrophobicContact SD-CD1 4.34Å; M34-I85 HydrophobicContact CE-CD1 4.4Å
35V89.2Confident86.1Confident59 Ų5965.9 Ų65.936%0.35837%0.37SS..EExtended strand (participates in β ladder)trans-123.2159.6-179.3-60.50000110.6T33 I67 N68 L69T33-V35 HydrophobicContact CG2-CG1 4.14Å; V35-I67 PolarHBondContact N-O 3.28Å; V35-N68 HydrophobicContact CG2-CB 3.55Å; V35-N68 WeakPolarHBondContact CG2-OD1 3.47Å; V35-L69 PolarHBondContact O-N 3.01Å
36G83.5Confident85.7Confident11 Ų1170.8 Ų70.811%0.11339%0.388CS..SBendtrans103.730.1-176.400000115.3L69 K76G36-L69 WeakPolarHBondContact CA-O 2.98Å; G36-K76 WeakPolarHBondContact O-CD 3.42Å; G36-K76 WeakPolarHBondContact O-CE 3.49Å; G36-K76 PolarHBondContact O-NZ 3.01Å
37L75.6Confident85.6Confident132 Ų13273 Ų7369%0.69140%0.397SS*.  trans53.153-178.9-65.6175.3000114.8A72L37-A72 WeakPolarHBondContact CD1-O 3.37Å
38P74.7Confident85.7Confident12 Ų1265 Ų658%0.07836%0.361CS..BIsolated β-bridgetrans-68.9133.1171.530.2-34.7000110.7M34 V42 K43 L69M34-P38 HydrophobicContact CB-CG 4.26Å; M34-P38 HydrophobicContact CG-CB 4.3Å; M34-P38 HydrophobicContact CG-CG 3.87Å; M34-P38 HydrophobicContact SD-CB 3.61Å; M34-P38 HydrophobicContact SD-CG 3.76Å; P38-V42 HydrophobicContact CB-CB 3.79Å; P38-V42 HydrophobicContact CB-CG1 3.73Å; P38-K43 HydrophobicContact CB-CG 4.2Å; P38-K43 HydrophobicContact CG-CG 3.96Å; P38-K43 VanDerWaalsContact O-CE 3.25Å; P38-K43 WeakPolarHBondContact O-CE 3.31Å; P38-L69 HydrophobicContact CB-CD1 4.5Å
39E80Confident86Confident67 Ų6762.8 Ų62.831%0.31334%0.338SS..  trans-67.5166.1168.3-74.7-74.8171.100110.8T41 V42 K43 K76 E77E39-T41 PolarHBondContact O-N 3.46Å; E39-V42 PolarHBondContact O-N 3.22Å; E39-K43 PolarHBondContact O-N 3.41Å; E39-K76 WeakPolarHBondContact CB-O 3.25Å; E39-K76 PolarHBondContact N-O 2.98Å; E39-E77 HydrophobicContact CB-CG 3.97Å; E39-E77 HydrophobicContact CG-CG 3.64Å
40T81.8Confident86.3Confident86 Ų8661.3 Ų61.353%0.52832%0.322SS..Hα-helixtrans-53.5-41.5-174.3-56.30000112.7V42 K43 E44T40-V42 VanDerWaalsContact C-N 3.29Å; T40-V42 PolarHBondContact O-N 3.23Å; T40-K43 WeakPolarHBondContact O-CA 3.14Å; T40-K43 WeakPolarHBondContact O-CB 3.32Å; T40-K43 PolarHBondContact O-N 2.96Å; T40-E44 WeakPolarHBondContact O-CG 3.47Å; T40-E44 PolarHBondContact O-N 2.73Å
41T78.4Confident86.6Confident61 Ų6158.8 Ų58.837%0.37431%0.306SS..Hα-helixtrans-63.8-32.4178.850.30000113.2E39 A45 R48 G78E39-T41 PolarHBondContact O-N 3.46Å; T41-A45 PolarHBondContact O-N 3.22Å; T41-R48 PolarHBondContact O-NH2 2.71Å; T41-G78 PolarHBondContact OG1-N 3.19Å
42V80.5Confident87Confident0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-76.6-33.4173.9-174.60000110.5M34 P38 E39 T40 E44 A45 L69 K76 Y81M34-V42 WeakPolarHBondContact CE-O 3.49Å; M34-V42 HydrophobicContact SD-CG1 3.78Å; P38-V42 HydrophobicContact CB-CB 3.79Å; P38-V42 HydrophobicContact CB-CG1 3.73Å; E39-V42 PolarHBondContact O-N 3.22Å; T40-V42 VanDerWaalsContact C-N 3.29Å; T40-V42 PolarHBondContact O-N 3.23Å; V42-E44 VanDerWaalsContact C-N 3.28Å; V42-E44 PolarHBondContact O-N 2.96Å; V42-A45 WeakPolarHBondContact O-CB 3.48Å; V42-A45 PolarHBondContact O-N 3.18Å; V42-L69 HydrophobicContact CG1-CD1 3.78Å; V42-K76 WeakPolarHBondContact CG2-O 3.44Å; V42-Y81 HydrophobicContact CG1-CD2 4.12Å; V42-Y81 HydrophobicContact CG2-CD2 3.89Å; V42-Y81 HydrophobicContact CG2-CE2 4.13Å
43K83.2Confident87.3Confident119 Ų11955.1 Ų55.152%0.51728%0.278SS..Hα-helixtrans-64.6-35171.7-65.9176.9-177.2166.30112.1P38 E39 T40 A45 R46P38-K43 HydrophobicContact CB-CG 4.2Å; P38-K43 HydrophobicContact CG-CG 3.96Å; P38-K43 VanDerWaalsContact O-CE 3.25Å; P38-K43 WeakPolarHBondContact O-CE 3.31Å; E39-K43 PolarHBondContact O-N 3.41Å; T40-K43 WeakPolarHBondContact O-CA 3.14Å; T40-K43 WeakPolarHBondContact O-CB 3.32Å; T40-K43 PolarHBondContact O-N 2.96Å; K43-A45 PolarHBondContact O-N 2.74Å; K43-R46 WeakPolarHBondContact O-CB 3.43Å; K43-R46 PolarHBondContact O-N 3.34Å
44E84.9Confident87.5Confident110 Ų11055.7 Ų55.751%0.51428%0.277SS..THydrogen-bonded Turntrans-67.1-17.6172.8-70.7170.1-175.900112.9T40 V42 R46 D47T40-E44 WeakPolarHBondContact O-CG 3.47Å; T40-E44 PolarHBondContact O-N 2.73Å; V42-E44 VanDerWaalsContact C-N 3.28Å; V42-E44 PolarHBondContact O-N 2.96Å; E44-R46 PolarHBondContact O-N 3.34Å; E44-D47 PolarHBondContact O-N 3.38Å
45A85.7Confident87.8Confident1 Ų159.1 Ų59.11%0.00830%0.296CS..Hα-helixtrans-54.1-28171.100000112.2T41 V42 K43 D47 R48 V49 D82T41-A45 PolarHBondContact O-N 3.22Å; V42-A45 WeakPolarHBondContact O-CB 3.48Å; V42-A45 PolarHBondContact O-N 3.18Å; K43-A45 PolarHBondContact O-N 2.74Å; A45-D47 VanDerWaalsContact C-N 3.34Å; A45-D47 PolarHBondContact O-N 3.3Å; A45-R48 PolarHBondContact O-N 3.2Å; A45-V49 HydrophobicContact CB-CG2 4.33Å; A45-V49 WeakPolarHBondContact O-CB 3.49Å; A45-V49 WeakPolarHBondContact O-CG2 3.32Å; A45-V49 PolarHBondContact O-N 2.93Å; A45-D82 WeakPolarHBondContact CB-OD1 3.42Å
46R87.5Confident88.2Confident113 Ų11356.5 Ų56.543%0.42628%0.28SS..Hα-helixtrans-50.3-52.8176.5179.5-172.471.1-153.4-9.8112.4L32 K43 E44 R50L32-R46 HydrophobicContact CB-CG 4.4Å; L32-R46 HydrophobicContact CD1-CG 3.95Å; L32-R46 HydrophobicContact CD2-CB 4.19Å; L32-R46 HydrophobicContact CD2-CG 4Å; L32-R46 HydrophobicContact CG-CG 4.34Å; K43-R46 WeakPolarHBondContact O-CB 3.43Å; K43-R46 PolarHBondContact O-N 3.34Å; E44-R46 PolarHBondContact O-N 3.34Å; R46-R50 WeakPolarHBondContact O-CB 3.33Å; R46-R50 PolarHBondContact O-N 3.48Å; R46-R50 VanDerWaalsContact O-N 3.09Å
47D90.7Very high88.7Confident77 Ų7759.2 Ų59.241%0.41231%0.309SS..Hα-helixtrans-78.2-32.6-171.7-61.7-29.8000110.4E44 A45 S51E44-D47 PolarHBondContact O-N 3.38Å; A45-D47 VanDerWaalsContact C-N 3.34Å; A45-D47 PolarHBondContact O-N 3.3Å; D47-S51 WeakPolarHBondContact O-CB 3.29Å; D47-S51 PolarHBondContact O-N 3.46Å; D47-S51 VanDerWaalsContact O-N 3.12Å; D47-S51 PolarHBondContact O-OG 2.92Å
48R92.8Very high89.7Confident40 Ų4055.2 Ų55.215%0.15129%0.285CS..Hα-helixtrans-68.5-52.3175.9179.6162.140.9161.91.9113T41 A45 R50 S51 A52 D82 E109 L110 L112T41-R48 PolarHBondContact O-NH2 2.71Å; A45-R48 PolarHBondContact O-N 3.2Å; R48-R50 PolarHBondContact O-N 3.45Å; R48-S51 PolarHBondContact O-N 2.94Å; R48-A52 WeakPolarHBondContact O-CB 3.37Å; R48-A52 PolarHBondContact O-N 3.33Å; R48-D82 WeakPolarHBondContact CD-OD2 3.38Å; R48-D82 IonicContact CZ-OD1 3.19Å; R48-D82 IonicContact CZ-OD2 2.75Å; R48-D82 IonicContact NE-OD1 3.21Å; R48-D82 IonicContact NE-OD2 3.82Å; R48-D82 PolarHBondContact NE-OD2 2.76Å; R48-D82 IonicContact NH1-OD2 3.49Å; R48-D82 IonicContact NH2-OD1 3.27Å; R48-D82 IonicContact NH2-OD2 3.55Å; R48-E109 IonicContact NH1-OE1 3.31Å; R48-E109 PolarHBondContact NH1-OE1 2.94Å; R48-E109 IonicContact NH1-OE2 3.58Å; R48-E109 PolarHBondContact NH1-OE2 3.33Å; R48-L110 WeakPolarHBondContact CD-O 3.27Å; R48-L110 WeakPolarHBondContact CG-O 3.44Å; R48-L112 HydrophobicContact CB-CD2 4.31Å; R48-L112 HydrophobicContact CG-CD2 4.43Å
49V95.7Very high90.7Very high3 Ų361.9 Ų61.92%0.01832%0.315CS..Hα-helixtrans-61.2-43.8176171.90000111.1A45 S51 A52 I53 D82 I85 A86 L89A45-V49 HydrophobicContact CB-CG2 4.33Å; A45-V49 WeakPolarHBondContact O-CB 3.49Å; A45-V49 WeakPolarHBondContact O-CG2 3.32Å; A45-V49 PolarHBondContact O-N 2.93Å; V49-S51 VanDerWaalsContact C-N 3.35Å; V49-S51 PolarHBondContact O-N 3.04Å; V49-A52 PolarHBondContact O-N 3.33Å; V49-I53 HydrophobicContact CG1-CD1 3.74Å; V49-I53 HydrophobicContact CG1-CG1 4.3Å; V49-I53 WeakPolarHBondContact O-CB 3.34Å; V49-I53 WeakPolarHBondContact O-CG1 3.32Å; V49-I53 PolarHBondContact O-N 3.18Å; V49-D82 HydrophobicContact CG2-CB 3.91Å; V49-I85 HydrophobicContact CG1-CG2 4.15Å; V49-I85 HydrophobicContact CG2-CB 4.42Å; V49-I85 HydrophobicContact CG2-CG2 4.22Å; V49-A86 HydrophobicContact CG1-CB 3.89Å; V49-L89 HydrophobicContact CG1-CD1 3.8Å
50R95.3Very high91.3Very high127 Ų12761 Ų6148%0.47931%0.309SS..Hα-helixtrans-57.4-48.5176.3176.7176.2-178-162.40.6111.8R46 R48 I53 I54 Y60R46-R50 WeakPolarHBondContact O-CB 3.33Å; R46-R50 PolarHBondContact O-N 3.48Å; R46-R50 VanDerWaalsContact O-N 3.09Å; R48-R50 PolarHBondContact O-N 3.45Å; R50-I53 PolarHBondContact O-N 3.44Å; R50-I54 HydrophobicContact CG-CD1 3.94Å; R50-I54 WeakPolarHBondContact O-CG1 3.48Å; R50-I54 PolarHBondContact O-N 3.29Å; R50-Y60 HydrophobicContact CB-CD2 3.81Å; R50-Y60 HydrophobicContact CB-CE2 3.66Å; R50-Y60 HydrophobicContact CB-CG 4.4Å; R50-Y60 HydrophobicContact CG-CD1 4.15Å; R50-Y60 HydrophobicContact CG-CD2 3.69Å; R50-Y60 HydrophobicContact CG-CE1 4.4Å; R50-Y60 HydrophobicContact CG-CE2 3.95Å; R50-Y60 HydrophobicContact CG-CG 3.78Å
51S96.1Very high91.8Very high39 Ų3957.7 Ų57.727%0.27329%0.289SS..Hα-helixtrans-64.2-43.9179.7-56.70000111.3D47 R48 V49 I53 I54 N55 L112D47-S51 WeakPolarHBondContact O-CB 3.29Å; D47-S51 PolarHBondContact O-N 3.46Å; D47-S51 VanDerWaalsContact O-N 3.12Å; D47-S51 PolarHBondContact O-OG 2.92Å; R48-S51 PolarHBondContact O-N 2.94Å; V49-S51 VanDerWaalsContact C-N 3.35Å; V49-S51 PolarHBondContact O-N 3.04Å; S51-I53 PolarHBondContact O-N 3.12Å; S51-I54 PolarHBondContact O-N 3.35Å; S51-N55 WeakPolarHBondContact O-CB 3.2Å; S51-N55 PolarHBondContact O-N 3.15Å; S51-N55 PolarHBondContact O-ND2 2.91Å; S51-N55 VanDerWaalsContact O-ND2 3.16Å; S51-L112 CarbonylContact C-O 3.25Å; S51-L112 VanDerWaalsContact C-O 3.25Å
52A97.2Very high92.3Very high0 Ų058.5 Ų58.50%030%0.302CS..Hα-helixtrans-59.5-44.4177.700000112.5R48 V49 S56 L110 A111 L112R48-A52 WeakPolarHBondContact O-CB 3.37Å; R48-A52 PolarHBondContact O-N 3.33Å; V49-A52 PolarHBondContact O-N 3.33Å; A52-S56 WeakPolarHBondContact O-CB 3.11Å; A52-S56 PolarHBondContact O-N 2.98Å; A52-S56 PolarHBondContact O-OG 2.9Å; A52-L110 HydrophobicContact CB-CB 4Å; A52-L110 HydrophobicContact CB-CD1 3.96Å; A52-A111 WeakPolarHBondContact CB-O 3.46Å; A52-L112 WeakPolarHBondContact CA-O 3.38Å; A52-L112 PolarHBondContact N-O 3.31Å
53I97Very high92.9Very high0 Ų064.1 Ų64.10%033%0.327CS..Hα-helixtrans-59.5-50.9176.6-75.2173.1000110.7V49 R50 S51 S56 G57 Y58 Y60 A86 L89 L90 L160V49-I53 HydrophobicContact CG1-CD1 3.74Å; V49-I53 HydrophobicContact CG1-CG1 4.3Å; V49-I53 WeakPolarHBondContact O-CB 3.34Å; V49-I53 WeakPolarHBondContact O-CG1 3.32Å; V49-I53 PolarHBondContact O-N 3.18Å; R50-I53 PolarHBondContact O-N 3.44Å; S51-I53 PolarHBondContact O-N 3.12Å; I53-S56 PolarHBondContact O-N 3.17Å; I53-G57 PolarHBondContact O-N 3.33Å; I53-Y58 PolarHBondContact O-N 2.95Å; I53-Y58 VanDerWaalsContact O-N 3.11Å; I53-Y60 HydrophobicContact CD1-CD2 4.06Å; I53-Y60 HydrophobicContact CD1-CE2 4.35Å; I53-Y60 HydrophobicContact CG2-CD2 4.43Å; I53-A86 HydrophobicContact CD1-CB 4.42Å; I53-A86 HydrophobicContact CG1-CB 4.32Å; I53-L89 HydrophobicContact CD1-CB 4.17Å; I53-L89 HydrophobicContact CD1-CD1 3.98Å; I53-L90 HydrophobicContact CG2-CD2 4.18Å; I53-L160 HydrophobicContact CG1-CD2 4.27Å
54I97.1Very high93.4Very high83 Ų8363.1 Ų63.143%0.42632%0.322SS..Hα-helixtrans-63.9-47.9-177.7-66.7168000110.9R50 S51 S56 G57R50-I54 HydrophobicContact CG-CD1 3.94Å; R50-I54 WeakPolarHBondContact O-CG1 3.48Å; R50-I54 PolarHBondContact O-N 3.29Å; S51-I54 PolarHBondContact O-N 3.35Å; I54-S56 PolarHBondContact O-N 3.43Å; I54-G57 PolarHBondContact O-N 3.31Å
55N97.1Very high93.9Very high102 Ų10258 Ų5855%0.54530%0.298SS..Hα-helixtrans-70.6-17-179.9-69.3-37.7000112.8S51 G57 L112S51-N55 WeakPolarHBondContact O-CB 3.2Å; S51-N55 PolarHBondContact O-N 3.15Å; S51-N55 PolarHBondContact O-ND2 2.91Å; S51-N55 VanDerWaalsContact O-ND2 3.16Å; N55-G57 VanDerWaalsContact C-N 3.29Å; N55-L112 PolarHBondContact ND2-O 2.78Å
56S96.4Very high94.3Very high3 Ų360 Ų602%0.02131%0.31CS..THydrogen-bonded Turntrans-84.83.5170.1-63.50000113.7A52 I53 I54 H159 Q161A52-S56 WeakPolarHBondContact O-CB 3.11Å; A52-S56 PolarHBondContact O-N 2.98Å; A52-S56 PolarHBondContact O-OG 2.9Å; I53-S56 PolarHBondContact O-N 3.17Å; I54-S56 PolarHBondContact O-N 3.43Å; S56-H159 PolarHBondContact OG-CE1 3.31Å; S56-Q161 WeakPolarHBondContact O-CG 3.42Å; S56-Q161 PolarHBondContact O-NE2 3.28Å
57G95.6Very high94.7Very high69 Ų6954.6 Ų54.671%0.71129%0.29SS*.THydrogen-bonded Turntrans84.113.1176.700000115.1I53 I54 N55I53-G57 PolarHBondContact O-N 3.33Å; I54-G57 PolarHBondContact O-N 3.31Å; N55-G57 VanDerWaalsContact C-N 3.29Å
58Y96.2Very high94.9Very high47 Ų4752.9 Ų52.918%0.18428%0.281CS..PPolyproline II helixtrans-101.6157.7175.4-63.3-82000111.3I53 L90 Q95 Q161 C164I53-Y58 PolarHBondContact O-N 2.95Å; I53-Y58 VanDerWaalsContact O-N 3.11Å; Y58-L90 HydrophobicContact CD1-CD1 4.43Å; Y58-L90 HydrophobicContact CD1-CD2 3.85Å; Y58-L90 HydrophobicContact CD2-CD1 4.15Å; Y58-L90 HydrophobicContact CD2-CD2 4.38Å; Y58-L90 HydrophobicContact CE2-CD1 4.35Å; Y58-L90 HydrophobicContact CG-CD1 4.21Å; Y58-L90 HydrophobicContact CG-CD2 3.68Å; Y58-Q95 HydrophobicContact CD1-CB 4.48Å; Y58-Q161 HydrophobicContact CE2-CG 4.46Å; Y58-C164 HydrophobicContact CE2-CB 4.29Å; Y58-C164 WeakPolarHBondContact OH-CB 3.45Å
59E95.1Very high95Very high153 Ų15351 Ų5172%0.71527%0.274SS*.PPolyproline II helixtrans-84.5132.8175.5-63.7-172.2171.200110.8Q95E59-Q95 PolarHBondContact O-NE2 2.88Å; E59-Q95 PolarHBondContact O-OE1 3.47Å
60Y93.6Very high94.9Very high47 Ų4751.8 Ų51.818%0.18428%0.281CS..PPolyproline II helixtrans-82123.5170-169.6-91.2000110L32 R50 I53 A62 I65 L89L32-Y60 VanDerWaalsContact CD1-OH 3.3Å; L32-Y60 WeakPolarHBondContact CD1-OH 3.34Å; R50-Y60 HydrophobicContact CB-CD2 3.81Å; R50-Y60 HydrophobicContact CB-CE2 3.66Å; R50-Y60 HydrophobicContact CB-CG 4.4Å; R50-Y60 HydrophobicContact CG-CD1 4.15Å; R50-Y60 HydrophobicContact CG-CD2 3.69Å; R50-Y60 HydrophobicContact CG-CE1 4.4Å; R50-Y60 HydrophobicContact CG-CE2 3.95Å; R50-Y60 HydrophobicContact CG-CG 3.78Å; I53-Y60 HydrophobicContact CD1-CD2 4.06Å; I53-Y60 HydrophobicContact CD1-CE2 4.35Å; I53-Y60 HydrophobicContact CG2-CD2 4.43Å; Y60-A62 PolarHBondContact O-N 3.29Å; Y60-A62 VanDerWaalsContact O-N 3.15Å; Y60-I65 HydrophobicContact CE1-CD1 3.82Å; Y60-L89 HydrophobicContact CE2-CD1 4.27Å
61P90.8Very high94.8Very high17 Ų1748.4 Ų48.411%0.1128%0.275CS..PPolyproline II helixtrans-64.7117.5-171.520.7-29.3000112.5I25 K63 I65 L89I25-P61 HydrophobicContact CD1-CB 4.14Å; I25-P61 HydrophobicContact CD1-CG 3.93Å; P61-K63 PolarHBondContact O-N 3.05Å; P61-I65 HydrophobicContact CG-CD1 3.9Å; P61-I65 HydrophobicContact CG-CG1 4.47Å; P61-L89 HydrophobicContact CG-CD2 4.42Å
62A90.4Very high94.3Very high79 Ų7949 Ų4965%0.65328%0.283SS*.  trans-79.354.7176.300000112.4P30 Y60P30-A62 HydrophobicContact CG-CB 4.49Å; Y60-A62 PolarHBondContact O-N 3.29Å; Y60-A62 VanDerWaalsContact O-N 3.15Å
63K92.5Very high93.8Very high117 Ų11755.1 Ų55.151%0.50932%0.315SS..SBendtrans-134.5177-176.7-71.7178.5-176.2168.70110.4I25 G31 P61 I65I25-K63 HydrophobicContact CG2-CB 3.59Å; I25-K63 HydrophobicContact CG2-CD 3.58Å; I25-K63 HydrophobicContact CG2-CG 4.21Å; G31-K63 PolarHBondContact N-O 3.13Å; P61-K63 PolarHBondContact O-N 3.05Å; K63-I65 PolarHBondContact O-N 2.83Å
64K94.1Very high93.2Very high99 Ų9956.5 Ų56.543%0.4332%0.323SS..EExtended strand (participates in β ladder)trans-78.7116173.1-177.6176.8-179.4178.20109.7S26S26-K64 PolarHBondContact N-O 3.32Å; S26-K64 PolarHBondContact O-N 2.85Å; S26-K64 WeakPolarHBondContact OG-CB 3.46Å; S26-K64 PolarHBondContact OG-O 3.34Å
65I95.2Very high92.6Very high1 Ų154 Ų541%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-110128.1-175.4-58.5164.6000109.1V23 G31 L32 T33 Y60 P61 K63 I67 L89V23-I65 HydrophobicContact CG1-CG2 4.21Å; G31-I65 PolarHBondContact O-N 2.69Å; L32-I65 WeakPolarHBondContact CA-O 3.36Å; L32-I65 HydrophobicContact CD1-CG2 4.33Å; T33-I65 PolarHBondContact N-O 2.99Å; Y60-I65 HydrophobicContact CE1-CD1 3.82Å; P61-I65 HydrophobicContact CG-CD1 3.9Å; P61-I65 HydrophobicContact CG-CG1 4.47Å; K63-I65 PolarHBondContact O-N 2.83Å; I65-I67 HydrophobicContact CG2-CD1 4.45Å; I65-I67 HydrophobicContact CG2-CG1 3.95Å; I65-L89 HydrophobicContact CD1-CD2 4.02Å; I65-L89 HydrophobicContact CG1-CD2 4.41Å; I65-L89 HydrophobicContact CG2-CD2 3.59Å
66T94.7Very high92.1Very high43 Ų4349.1 Ų49.126%0.26429%0.286SS..EExtended strand (participates in β ladder)trans-114.7124.5167.6-57.70000109V23 H24 T33V23-T66 WeakPolarHBondContact CA-O 3.39Å; H24-T66 PolarHBondContact N-O 2.87Å; H24-T66 PolarHBondContact O-N 2.96Å; T33-T66 CarbonylContact O-C 3.54Å; T33-T66 WeakPolarHBondContact O-CA 3.48Å
67I95.4Very high91.5Very high1 Ų152.3 Ų52.31%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-110.5117.8174.7-54.8171.5000107.6V21 E22 V23 L32 T33 M34 V35 I65 L69 I85V21-I67 HydrophobicContact CG1-CG2 4.13Å; E22-I67 CarbonylContact O-C 3.52Å; E22-I67 WeakPolarHBondContact O-CA 3.36Å; V23-I67 HydrophobicContact CG2-CG1 4.1Å; V23-I67 HydrophobicContact CG2-CG2 4.3Å; L32-I67 HydrophobicContact CD1-CD1 3.51Å; L32-I67 HydrophobicContact CD1-CG1 4.42Å; L32-I67 HydrophobicContact CD2-CD1 4.34Å; L32-I67 HydrophobicContact CG-CD1 4.06Å; T33-I67 PolarHBondContact O-N 2.92Å; M34-I67 CarbonylContact C-O 3.47Å; M34-I67 VanDerWaalsContact CA-O 3.31Å; M34-I67 WeakPolarHBondContact CA-O 3.47Å; M34-I67 HydrophobicContact CE-CD1 4.39Å; M34-I67 HydrophobicContact CG-CB 4.31Å; M34-I67 HydrophobicContact CG-CG2 4.43Å; V35-I67 PolarHBondContact N-O 3.28Å; I65-I67 HydrophobicContact CG2-CD1 4.45Å; I65-I67 HydrophobicContact CG2-CG1 3.95Å; I67-L69 HydrophobicContact CG2-CD2 4.28Å; I67-I85 HydrophobicContact CD1-CG2 3.68Å; I67-I85 HydrophobicContact CG2-CD1 4.49Å; I67-I85 HydrophobicContact CG2-CG1 4.17Å
68N95.4Very high91Very high41 Ų4150.6 Ų50.622%0.21928%0.282CS..EExtended strand (participates in β ladder)trans-107.3127.2173.417739.7000109.8V21 E22 V35V21-N68 WeakPolarHBondContact CA-O 3.43Å; E22-N68 HydrophobicContact CB-CB 4.22Å; E22-N68 PolarHBondContact N-O 2.93Å; E22-N68 PolarHBondContact O-N 3.4Å; E22-N68 PolarHBondContact OE2-ND2 3.27Å; V35-N68 HydrophobicContact CG2-CB 3.55Å; V35-N68 WeakPolarHBondContact CG2-OD1 3.47Å
69L95Very high90.8Very high0 Ų048.6 Ų48.60%028%0.276CS..EExtended strand (participates in β ladder)trans-105.4102.9171.3-54.5175.8000107.9T20 V21 M34 V35 G36 P38 V42 I67 K76 I85T20-L69 WeakPolarHBondContact O-CA 2.98Å; V21-L69 HydrophobicContact CB-CD2 4.16Å; V21-L69 HydrophobicContact CG1-CD2 3.9Å; V21-L69 HydrophobicContact CG2-CD2 3.67Å; M34-L69 HydrophobicContact SD-CD1 4.34Å; V35-L69 PolarHBondContact O-N 3.01Å; G36-L69 WeakPolarHBondContact CA-O 2.98Å; P38-L69 HydrophobicContact CB-CD1 4.5Å; V42-L69 HydrophobicContact CG1-CD1 3.78Å; I67-L69 HydrophobicContact CG2-CD2 4.28Å; L69-K76 HydrophobicContact CB-CD 3.41Å; L69-K76 VanDerWaalsContact CB-CD 3.41Å; L69-K76 HydrophobicContact CD1-CD 3.76Å; L69-K76 HydrophobicContact CG-CD 4.23Å; L69-K76 WeakPolarHBondContact O-CE 3.37Å; L69-I85 HydrophobicContact CD2-CD1 4.46Å; L69-I85 HydrophobicContact CD2-CG1 4.42Å
70A93.1Very high90.8Very high19 Ų1941.7 Ų41.716%0.15724%0.244CC..EExtended strand (participates in β ladder)trans-107.5148.4-177.200000112I19 T20I19-A70 CarbonylContact C-O 3.6Å; I19-A70 WeakPolarHBondContact CA-O 3.43Å; I19-A70 WeakPolarHBondContact CG2-O 3.3Å; T20-A70 PolarHBondContact N-O 3.46Å; T20-A70 PolarHBondContact O-N 3.49Å
71P93Very high90.9Very high56 Ų5639.6 Ų39.636%0.36424%0.235SC..  cis-79.4157.7-2.437.6-40.6000112.3D73 L74 K76P71-D73 VanDerWaalsContact C-N 3.35Å; P71-D73 WeakPolarHBondContact CB-OD1 3.2Å; P71-D73 VanDerWaalsContact CG-OD1 3.32Å; P71-D73 WeakPolarHBondContact CG-OD1 3.3Å; P71-D73 PolarHBondContact O-N 2.93Å; P71-L74 HydrophobicContact CG-CD1 3.75Å; P71-L74 HydrophobicContact CG-CG 4.09Å; P71-K76 WeakPolarHBondContact O-CE 3.19Å; P71-K76 PolarHBondContact O-NZ 2.99Å
72A86.2Confident91.1Very high52 Ų5238.8 Ų38.843%0.4323%0.23SC..THydrogen-bonded Turntrans-75.7-19.1-170.800000114.4L37 L74L37-A72 WeakPolarHBondContact CD1-O 3.37Å; A72-L74 VanDerWaalsContact C-N 3.35Å
73D85Confident91.5Very high128 Ų12835 Ų3568%0.68420%0.199SC*.THydrogen-bonded Turntrans-78.1-14.2-174.461.5-45.2000114.5P71P71-D73 VanDerWaalsContact C-N 3.35Å; P71-D73 WeakPolarHBondContact CB-OD1 3.2Å; P71-D73 VanDerWaalsContact CG-OD1 3.32Å; P71-D73 WeakPolarHBondContact CG-OD1 3.3Å; P71-D73 PolarHBondContact O-N 2.93Å
74L85.4Confident91.7Very high30 Ų3029.4 Ų29.416%0.15718%0.175CC..SBendtrans-89.5135.7176.7-58.9174.8000110.9L12 P17 I19 P71 A72 K76L12-L74 HydrophobicContact CD1-CD2 3.87Å; P17-L74 HydrophobicContact CB-CD1 3.75Å; P17-L74 HydrophobicContact CG-CD1 3.72Å; P17-L74 HydrophobicContact CG-CD2 4.37Å; I19-L74 HydrophobicContact CD1-CB 4.25Å; I19-L74 HydrophobicContact CD1-CD1 3.7Å; P71-L74 HydrophobicContact CG-CD1 3.75Å; P71-L74 HydrophobicContact CG-CG 4.09Å; A72-L74 VanDerWaalsContact C-N 3.35Å; L74-K76 PolarHBondContact O-NZ 2.95Å
75P83.5Confident91.8Very high30 Ų3024.9 Ų24.920%0.19516%0.155CC..  trans-69138.417527-28.3000109.9L12L12-P75 HydrophobicContact CD2-CG 3.49Å; L12-P75 VanDerWaalsContact CD2-CG 3.49Å
76K87Confident91.9Very high0 Ų024.8 Ų24.80%016%0.155CC..BIsolated β-bridgetrans-123.4104.8-176.2-64.3168.1-167.275.10107.9G36 E39 V42 L69 P71 L74 Y81G36-K76 WeakPolarHBondContact O-CD 3.42Å; G36-K76 WeakPolarHBondContact O-CE 3.49Å; G36-K76 PolarHBondContact O-NZ 3.01Å; E39-K76 WeakPolarHBondContact CB-O 3.25Å; E39-K76 PolarHBondContact N-O 2.98Å; V42-K76 WeakPolarHBondContact CG2-O 3.44Å; L69-K76 HydrophobicContact CB-CD 3.41Å; L69-K76 VanDerWaalsContact CB-CD 3.41Å; L69-K76 HydrophobicContact CD1-CD 3.76Å; L69-K76 HydrophobicContact CG-CD 4.23Å; L69-K76 WeakPolarHBondContact O-CE 3.37Å; P71-K76 WeakPolarHBondContact O-CE 3.19Å; P71-K76 PolarHBondContact O-NZ 2.99Å; L74-K76 PolarHBondContact O-NZ 2.95Å; K76-Y81 HydrophobicContact CB-CE2 3.76Å; K76-Y81 HydrophobicContact CG-CE2 4.42Å
77E83.5Confident92Very high70 Ų7022.8 Ų22.833%0.32714%0.142SC..  trans-126.6153.6-175-72.5-168.5-177.600112.4E39 Y81 I284 R329E39-E77 HydrophobicContact CB-CG 3.97Å; E39-E77 HydrophobicContact CG-CG 3.64Å; E77-Y81 WeakPolarHBondContact O-CE2 3.42Å; E77-I284 HydrophobicContact CG-CD1 4.31Å; E77-I284 WeakPolarHBondContact OE1-CD1 3.4Å; E77-I284 WeakPolarHBondContact OE2-CD1 3.31Å; E77-R329 IonicContact OE1-NH1 2.73Å
78G86.4Confident92.1Very high32 Ų3222.7 Ų22.733%0.3314%0.142SC..SBendtrans80.4-178.8173.200000114.4T41 R80T41-G78 PolarHBondContact OG1-N 3.19Å; G78-R80 VanDerWaalsContact C-N 3.34Å; G78-R80 PolarHBondContact O-N 3.28Å
79G91.4Very high92.1Very high6 Ų620.9 Ų20.96%0.06213%0.132CC..SBendtrans-81.6-2.6-178.100000115.2Y81 D82 E109G79-Y81 PolarHBondContact O-N 3.22Å; G79-D82 VanDerWaalsContact O-CB 3.3Å; G79-D82 WeakPolarHBondContact O-CB 3.44Å; G79-D82 PolarHBondContact O-N 2.83Å; G79-E109 VanDerWaalsContact O-CA 3.23Å; G79-E109 WeakPolarHBondContact O-CA 3.43Å
80R94.3Very high92.1Very high8 Ų820.9 Ų20.93%0.0313%0.132CC..THydrogen-bonded Turntrans-59.3-19.2-171.758.2163.942.9-147.2-8.9116.3R9 A10 G78 V107 G108 V119 P120 S125R9-R80 PolarHBondContact O-NH1 2.81Å; A10-R80 PolarHBondContact O-NH1 2.78Å; A10-R80 VanDerWaalsContact O-NH1 3.16Å; G78-R80 VanDerWaalsContact C-N 3.34Å; G78-R80 PolarHBondContact O-N 3.28Å; R80-V107 HydrophobicContact CB-CG1 4.12Å; R80-G108 CarbonylContact C-O 3.59Å; R80-G108 PolarHBondContact O-N 2.86Å; R80-V119 HydrophobicContact CB-CB 4.1Å; R80-V119 HydrophobicContact CB-CG1 3.86Å; R80-V119 HydrophobicContact CB-CG2 4.12Å; R80-P120 PolarHBondContact NH2-O 2.94Å; R80-S125 PolarHBondContact NH1-OG 3.01Å
81Y95.9Very high92.3Very high2 Ų221 Ų211%0.00813%0.133CC..THydrogen-bonded Turntrans-88.7-6.2180-50.8-71.4000112.6T8 I19 V42 K76 E77 G79 L83 P84 I85T8-Y81 HydrophobicContact CG2-CD1 3.98Å; T8-Y81 HydrophobicContact CG2-CE1 4.3Å; I19-Y81 HydrophobicContact CG1-CE1 4.43Å; I19-Y81 HydrophobicContact CG2-CE1 4.46Å; V42-Y81 HydrophobicContact CG1-CD2 4.12Å; V42-Y81 HydrophobicContact CG2-CD2 3.89Å; V42-Y81 HydrophobicContact CG2-CE2 4.13Å; K76-Y81 HydrophobicContact CB-CE2 3.76Å; K76-Y81 HydrophobicContact CG-CE2 4.42Å; E77-Y81 WeakPolarHBondContact O-CE2 3.42Å; G79-Y81 PolarHBondContact O-N 3.22Å; Y81-L83 PolarHBondContact O-N 3.43Å; Y81-P84 VanDerWaalsContact O-CD 3.29Å; Y81-P84 WeakPolarHBondContact O-CD 3.4Å; Y81-P84 VanDerWaalsContact O-CG 3.28Å; Y81-P84 WeakPolarHBondContact O-CG 3.21Å; Y81-I85 VanDerWaalsContact O-CB 3.28Å; Y81-I85 WeakPolarHBondContact O-CB 3.26Å; Y81-I85 VanDerWaalsContact O-CD1 3.3Å; Y81-I85 WeakPolarHBondContact O-CD1 3.39Å; Y81-I85 WeakPolarHBondContact O-CG1 3.23Å; Y81-I85 PolarHBondContact O-N 3.2Å
82D96.4Very high92.3Very high0 Ų018.5 Ų18.50%012%0.117CC..Hα-helixtrans-61.9-47.8-176.4-66.9-5.3000111.6A45 R48 V49 G79 I85 A86 L110A45-D82 WeakPolarHBondContact CB-OD1 3.42Å; R48-D82 WeakPolarHBondContact CD-OD2 3.38Å; R48-D82 IonicContact CZ-OD1 3.19Å; R48-D82 IonicContact CZ-OD2 2.75Å; R48-D82 IonicContact NE-OD1 3.21Å; R48-D82 IonicContact NE-OD2 3.82Å; R48-D82 PolarHBondContact NE-OD2 2.76Å; R48-D82 IonicContact NH1-OD2 3.49Å; R48-D82 IonicContact NH2-OD1 3.27Å; R48-D82 IonicContact NH2-OD2 3.55Å; V49-D82 HydrophobicContact CG2-CB 3.91Å; G79-D82 VanDerWaalsContact O-CB 3.3Å; G79-D82 WeakPolarHBondContact O-CB 3.44Å; G79-D82 PolarHBondContact O-N 2.83Å; D82-I85 PolarHBondContact O-N 3.48Å; D82-A86 WeakPolarHBondContact O-CB 3.33Å; D82-A86 PolarHBondContact O-N 3.09Å; D82-L110 HydrophobicContact CB-CB 3.89Å; D82-L110 HydrophobicContact CB-CD1 4.09Å; D82-L110 HydrophobicContact CB-CG 3.83Å; D82-L110 PolarHBondContact OD2-N 2.91Å
83L97.6Very high92.7Very high0 Ų017.5 Ų17.50%011%0.107CC..Hα-helixtrans-59.4-55.5177.7177.965000112.8Y81 I85 A86 I87 L106 G108 L110 L116 L160 V163Y81-L83 PolarHBondContact O-N 3.43Å; L83-I85 VanDerWaalsContact C-N 3.28Å; L83-I85 PolarHBondContact O-N 2.81Å; L83-A86 PolarHBondContact O-N 3.38Å; L83-I87 HydrophobicContact CD1-CG1 4.19Å; L83-I87 WeakPolarHBondContact O-CG1 3.42Å; L83-I87 PolarHBondContact O-N 3.25Å; L83-L106 HydrophobicContact CD2-CB 4.06Å; L83-L106 HydrophobicContact CG-CB 4.17Å; L83-G108 WeakPolarHBondContact CB-O 3.45Å; L83-G108 PolarHBondContact N-O 3.48Å; L83-G108 VanDerWaalsContact N-O 3.11Å; L83-L110 HydrophobicContact CD1-CD2 4.42Å; L83-L116 HydrophobicContact CD1-CD1 4.35Å; L83-L116 HydrophobicContact CD1-CD2 4.33Å; L83-L116 HydrophobicContact CD2-CD2 3.76Å; L83-L160 HydrophobicContact CD1-CD1 3.97Å; L83-V163 HydrophobicContact CD1-CB 4.48Å; L83-V163 HydrophobicContact CD1-CG1 4.37Å; L83-V163 HydrophobicContact CD1-CG2 4.18Å
84P97.2Very high93.1Very high0 Ų018.2 Ų18.20%011%0.106CC..Hα-helixtrans-62.7-33.5178.922.5-33000112.8V6 T8 V21 Y81 A88 L106V6-P84 HydrophobicContact CB-CB 4.35Å; V6-P84 HydrophobicContact CG1-CB 3.51Å; T8-P84 HydrophobicContact CG2-CB 4.43Å; T8-P84 HydrophobicContact CG2-CG 4.12Å; V21-P84 HydrophobicContact CB-CB 4.49Å; V21-P84 HydrophobicContact CG2-CB 3.84Å; V21-P84 HydrophobicContact CG2-CG 4.15Å; Y81-P84 VanDerWaalsContact O-CD 3.29Å; Y81-P84 WeakPolarHBondContact O-CD 3.4Å; Y81-P84 VanDerWaalsContact O-CG 3.28Å; Y81-P84 WeakPolarHBondContact O-CG 3.21Å; P84-A88 VanDerWaalsContact O-CB 3.26Å; P84-A88 WeakPolarHBondContact O-CB 3.08Å; P84-A88 PolarHBondContact O-N 3.21Å; P84-L106 HydrophobicContact CB-CB 4.11Å
85I96.6Very high93.5Very high3 Ų319.2 Ų19.22%0.01511%0.11CC..Hα-helixtrans-63.7-46.3173.5-69.7166.9000111V21 M34 V49 I67 L69 Y81 D82 L83 A88 L89V21-I85 HydrophobicContact CG1-CB 4.45Å; V21-I85 HydrophobicContact CG1-CG1 3.72Å; M34-I85 HydrophobicContact CE-CD1 4.4Å; V49-I85 HydrophobicContact CG1-CG2 4.15Å; V49-I85 HydrophobicContact CG2-CB 4.42Å; V49-I85 HydrophobicContact CG2-CG2 4.22Å; I67-I85 HydrophobicContact CD1-CG2 3.68Å; I67-I85 HydrophobicContact CG2-CD1 4.49Å; I67-I85 HydrophobicContact CG2-CG1 4.17Å; L69-I85 HydrophobicContact CD2-CD1 4.46Å; L69-I85 HydrophobicContact CD2-CG1 4.42Å; Y81-I85 VanDerWaalsContact O-CB 3.28Å; Y81-I85 WeakPolarHBondContact O-CB 3.26Å; Y81-I85 VanDerWaalsContact O-CD1 3.3Å; Y81-I85 WeakPolarHBondContact O-CD1 3.39Å; Y81-I85 WeakPolarHBondContact O-CG1 3.23Å; Y81-I85 PolarHBondContact O-N 3.2Å; D82-I85 PolarHBondContact O-N 3.48Å; L83-I85 VanDerWaalsContact C-N 3.28Å; L83-I85 PolarHBondContact O-N 2.81Å; I85-A88 PolarHBondContact O-N 3.11Å; I85-L89 HydrophobicContact CG2-CD1 3.86Å; I85-L89 HydrophobicContact CG2-CG 4.48Å; I85-L89 WeakPolarHBondContact O-CB 3.25Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 3.19Å
86A97.2Very high93.9Very high0 Ų018.1 Ų18.10%010%0.102CC..Hα-helixtrans-61.2-46.6179.400000111.6V49 I53 D82 L83 L89 L90 L110 L160V49-A86 HydrophobicContact CG1-CB 3.89Å; I53-A86 HydrophobicContact CD1-CB 4.42Å; I53-A86 HydrophobicContact CG1-CB 4.32Å; D82-A86 WeakPolarHBondContact O-CB 3.33Å; D82-A86 PolarHBondContact O-N 3.09Å; L83-A86 PolarHBondContact O-N 3.38Å; A86-L89 WeakPolarHBondContact O-CB 3.36Å; A86-L89 PolarHBondContact O-N 3.01Å; A86-L90 WeakPolarHBondContact O-CG 3.29Å; A86-L90 PolarHBondContact O-N 2.81Å; A86-L110 HydrophobicContact CB-CD1 3.62Å; A86-L160 HydrophobicContact CB-CD1 4.02Å; A86-L160 HydrophobicContact CB-CD2 4.16Å
87I97.4Very high94Very high0 Ų022.4 Ų22.40%013%0.129CC..Hα-helixtrans-64.3-42.9178.1-65-56.2000111.5V6 L83 L89 L90 A91 L96 L101 L106 L160 V163 C164 L167V6-I87 HydrophobicContact CG2-CG2 4.12Å; L83-I87 HydrophobicContact CD1-CG1 4.19Å; L83-I87 WeakPolarHBondContact O-CG1 3.42Å; L83-I87 PolarHBondContact O-N 3.25Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 2.86Å; I87-L90 PolarHBondContact O-N 3.49Å; I87-A91 WeakPolarHBondContact O-CB 3.28Å; I87-A91 PolarHBondContact O-N 3.07Å; I87-L96 HydrophobicContact CD1-CD2 4.15Å; I87-L96 HydrophobicContact CG2-CD2 3.84Å; I87-L101 HydrophobicContact CG2-CD1 3.72Å; I87-L101 HydrophobicContact CG2-CD2 4.23Å; I87-L106 HydrophobicContact CB-CD1 3.72Å; I87-L106 HydrophobicContact CG1-CD1 3.59Å; I87-L106 HydrophobicContact CG2-CD1 3.79Å; I87-L160 HydrophobicContact CD1-CD1 3.77Å; I87-L160 HydrophobicContact CG1-CD1 4.42Å; I87-V163 HydrophobicContact CD1-CG1 3.99Å; I87-V163 HydrophobicContact CG1-CG1 4.27Å; I87-C164 VanDerWaalsContact CD1-SG 3.58Å; I87-L167 HydrophobicContact CD1-CD1 4.07Å; I87-L167 HydrophobicContact CG1-CD1 4.38Å; I87-L167 HydrophobicContact CG2-CD1 3.78Å
88A96Very high93.9Very high0 Ų020 Ų200%012%0.121CC..Hα-helixtrans-63.2-36.6176.600000112.3S4 V6 V21 V23 P84 I85 A92S4-A88 VanDerWaalsContact CB-O 3.23Å; S4-A88 WeakPolarHBondContact CB-O 3.31Å; V6-A88 HydrophobicContact CB-CB 4.25Å; V6-A88 HydrophobicContact CG2-CB 3.66Å; V21-A88 HydrophobicContact CG1-CB 4.25Å; V23-A88 HydrophobicContact CB-CB 3.95Å; V23-A88 HydrophobicContact CG2-CB 3.39Å; P84-A88 VanDerWaalsContact O-CB 3.26Å; P84-A88 WeakPolarHBondContact O-CB 3.08Å; P84-A88 PolarHBondContact O-N 3.21Å; I85-A88 PolarHBondContact O-N 3.11Å; A88-A92 WeakPolarHBondContact O-CB 3.3Å; A88-A92 PolarHBondContact O-N 3.13Å
89L95.5Very high93.6Very high2 Ų225.7 Ų25.71%0.0114%0.144CC..Hα-helixtrans-65.2-45.8173.9-79.2164.8000112.4V23 V49 I53 Y60 P61 I65 I85 A86 I87 A92 S93V23-L89 HydrophobicContact CG1-CD2 3.69Å; V23-L89 HydrophobicContact CG1-CG 4.15Å; V49-L89 HydrophobicContact CG1-CD1 3.8Å; I53-L89 HydrophobicContact CD1-CB 4.17Å; I53-L89 HydrophobicContact CD1-CD1 3.98Å; Y60-L89 HydrophobicContact CE2-CD1 4.27Å; P61-L89 HydrophobicContact CG-CD2 4.42Å; I65-L89 HydrophobicContact CD1-CD2 4.02Å; I65-L89 HydrophobicContact CG1-CD2 4.41Å; I65-L89 HydrophobicContact CG2-CD2 3.59Å; I85-L89 HydrophobicContact CG2-CD1 3.86Å; I85-L89 HydrophobicContact CG2-CG 4.48Å; I85-L89 WeakPolarHBondContact O-CB 3.25Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 3.19Å; A86-L89 WeakPolarHBondContact O-CB 3.36Å; A86-L89 PolarHBondContact O-N 3.01Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 2.86Å; L89-A92 PolarHBondContact O-N 2.96Å; L89-S93 VanDerWaalsContact O-CB 3.31Å; L89-S93 WeakPolarHBondContact O-CB 3.28Å; L89-S93 PolarHBondContact O-N 2.97Å; L89-S93 PolarHBondContact O-OG 3.23Å
90L96.3Very high93.5Very high1 Ų131.2 Ų31.21%0.00517%0.166CC..Hα-helixtrans-66.1-40.1179.9-67.7174.1000111.6I53 Y58 A86 I87 S93 E94 Q95 L96 C164I53-L90 HydrophobicContact CG2-CD2 4.18Å; Y58-L90 HydrophobicContact CD1-CD1 4.43Å; Y58-L90 HydrophobicContact CD1-CD2 3.85Å; Y58-L90 HydrophobicContact CD2-CD1 4.15Å; Y58-L90 HydrophobicContact CD2-CD2 4.38Å; Y58-L90 HydrophobicContact CE2-CD1 4.35Å; Y58-L90 HydrophobicContact CG-CD1 4.21Å; Y58-L90 HydrophobicContact CG-CD2 3.68Å; A86-L90 WeakPolarHBondContact O-CG 3.29Å; A86-L90 PolarHBondContact O-N 2.81Å; I87-L90 PolarHBondContact O-N 3.49Å; L90-S93 WeakPolarHBondContact CA-OG 3.39Å; L90-S93 PolarHBondContact O-OG 3.18Å; L90-E94 PolarHBondContact O-N 3.34Å; L90-Q95 HydrophobicContact CD2-CB 4.22Å; L90-Q95 PolarHBondContact O-N 3.39Å; L90-L96 HydrophobicContact CB-CB 3.82Å; L90-L96 HydrophobicContact CB-CD2 4.49Å; L90-L96 PolarHBondContact O-N 3.45Å; L90-C164 VanDerWaalsContact CD1-SG 3.57Å
91A95.5Very high93.4Very high20 Ų2031.4 Ų31.417%0.16517%0.167CC..Hα-helixtrans-67.2-46.6174.700000112.3S4 I87 S93 E94 L101S4-A91 VanDerWaalsContact OG-CB 3.29Å; S4-A91 WeakPolarHBondContact OG-CB 3.07Å; I87-A91 WeakPolarHBondContact O-CB 3.28Å; I87-A91 PolarHBondContact O-N 3.07Å; A91-S93 PolarHBondContact O-N 2.78Å; A91-E94 PolarHBondContact O-N 2.92Å; A91-L101 HydrophobicContact CB-CD2 4.36Å
92A94.6Very high93.3Very high5 Ų536.2 Ų36.24%0.04119%0.194CC..Hα-helixtrans-66.7-24.8178.800000113.5V23 I25 A88 L89 E94V23-A92 HydrophobicContact CB-CB 4.38Å; V23-A92 HydrophobicContact CG1-CB 4.03Å; I25-A92 HydrophobicContact CD1-CB 3.77Å; I25-A92 HydrophobicContact CG1-CB 3.93Å; A88-A92 WeakPolarHBondContact O-CB 3.3Å; A88-A92 PolarHBondContact O-N 3.13Å; L89-A92 PolarHBondContact O-N 2.96Å; A92-E94 VanDerWaalsContact C-N 3.33Å
93S94.1Very high93.2Very high30 Ų3040.2 Ų40.221%0.2121%0.212CC..THydrogen-bonded Turntrans-89.95.2174.460.30000113.7L89 L90 A91 Q95L89-S93 VanDerWaalsContact O-CB 3.31Å; L89-S93 WeakPolarHBondContact O-CB 3.28Å; L89-S93 PolarHBondContact O-N 2.97Å; L89-S93 PolarHBondContact O-OG 3.23Å; L90-S93 WeakPolarHBondContact CA-OG 3.39Å; L90-S93 PolarHBondContact O-OG 3.18Å; A91-S93 PolarHBondContact O-N 2.78Å; S93-Q95 PolarHBondContact O-N 2.93Å; S93-Q95 PolarHBondContact OG-NE2 3.34Å
94E93.1Very high93.1Very high143 Ų14341.2 Ų41.267%0.66822%0.216SC*.THydrogen-bonded Turntrans62.518.5178.5-55.3176.5174.900113.7M1 L90 A91 A92M1-E94 PolarHBondContact N-OE1 2.96Å; L90-E94 PolarHBondContact O-N 3.34Å; A91-E94 PolarHBondContact O-N 2.92Å; A92-E94 VanDerWaalsContact C-N 3.33Å
95Q93.8Very high93.2Very high52 Ų5241.3 Ų41.324%0.24322%0.216CC..SBendtrans-86.1-16174.4-71-179.182.500113.1Y58 E59 L90 S93Y58-Q95 HydrophobicContact CD1-CB 4.48Å; E59-Q95 PolarHBondContact O-NE2 2.88Å; E59-Q95 PolarHBondContact O-OE1 3.47Å; L90-Q95 HydrophobicContact CD2-CB 4.22Å; L90-Q95 PolarHBondContact O-N 3.39Å; S93-Q95 PolarHBondContact O-N 2.93Å; S93-Q95 PolarHBondContact OG-NE2 3.34Å
96L92.7Very high93.2Very high6 Ų641.1 Ų41.13%0.03122%0.216CC..  trans-124.9118.7176.5-176.973.1000109.6I87 L90 A98 C164 L167 E168I87-L96 HydrophobicContact CD1-CD2 4.15Å; I87-L96 HydrophobicContact CG2-CD2 3.84Å; L90-L96 HydrophobicContact CB-CB 3.82Å; L90-L96 HydrophobicContact CB-CD2 4.49Å; L90-L96 PolarHBondContact O-N 3.45Å; L96-A98 HydrophobicContact CD2-CB 4.14Å; L96-A98 HydrophobicContact CG-CB 4.14Å; L96-A98 PolarHBondContact O-N 3Å; L96-C164 HydrophobicContact CD1-CB 3.85Å; L96-L167 HydrophobicContact CD1-CB 4.37Å; L96-L167 HydrophobicContact CD2-CB 4.47Å; L96-L167 HydrophobicContact CD2-CD1 3.89Å; L96-E168 HydrophobicContact CD1-CG 3.64Å
97T88.6Confident93.2Very high91 Ų9141.1 Ų41.156%0.55822%0.216SC*.  trans-91.993.4173-56.30000109.2
98A80.3Confident93.2Very high20 Ų2041.1 Ų41.117%0.16522%0.216CC..  trans-11882-176.600000111.7L96 K100 L101 L167L96-A98 HydrophobicContact CD2-CB 4.14Å; L96-A98 HydrophobicContact CG-CB 4.14Å; L96-A98 PolarHBondContact O-N 3Å; A98-K100 PolarHBondContact O-N 3.25Å; A98-K100 VanDerWaalsContact O-N 3.11Å; A98-L101 HydrophobicContact CB-CB 4.25Å; A98-L101 PolarHBondContact O-N 3.49Å; A98-L167 HydrophobicContact CB-CB 4.11Å
99N81.6Confident93.2Very high150 Ų15043.1 Ų43.180%0.80223%0.225SC*.THydrogen-bonded Turntrans-67.2-11.3-176.6-66.6-22.6000114.6
100K87.9Confident93.3Very high123 Ų12343 Ų4354%0.53522%0.224SC..THydrogen-bonded Turntrans-124.923.6-173.2-66-174.9166.7-1590112.9A98 D102 E103 Y104A98-K100 PolarHBondContact O-N 3.25Å; A98-K100 VanDerWaalsContact O-N 3.11Å; K100-D102 PolarHBondContact O-N 2.79Å; K100-E103 HydrophobicContact CB-CG 4.25Å; K100-E103 WeakPolarHBondContact CD-OE1 3.16Å; K100-E103 IonicContact NZ-OE1 3.56Å; K100-E103 WeakPolarHBondContact O-CB 3.47Å; K100-E103 PolarHBondContact O-N 3.11Å; K100-E103 VanDerWaalsContact O-N 3.07Å; K100-Y104 HydrophobicContact CB-CE2 4.37Å; K100-Y104 WeakPolarHBondContact O-CD2 3.1Å; K100-Y104 WeakPolarHBondContact O-CE2 3.3Å
101L92.6Very high93.3Very high11 Ų1143.3 Ų43.36%0.05823%0.227CC..G310 helixtrans-60-31.5-175.3-166.254.3000112.4V6 I87 A91 A98 E103 Y104 L106 L167V6-L101 HydrophobicContact CG2-CD1 4.23Å; V6-L101 HydrophobicContact CG2-CD2 3.53Å; V6-L101 HydrophobicContact CG2-CG 3.97Å; I87-L101 HydrophobicContact CG2-CD1 3.72Å; I87-L101 HydrophobicContact CG2-CD2 4.23Å; A91-L101 HydrophobicContact CB-CD2 4.36Å; A98-L101 HydrophobicContact CB-CB 4.25Å; A98-L101 PolarHBondContact O-N 3.49Å; L101-E103 PolarHBondContact O-N 3.4Å; L101-Y104 PolarHBondContact O-N 2.95Å; L101-Y104 VanDerWaalsContact O-N 3.15Å; L101-L106 HydrophobicContact CD1-CD1 4.45Å; L101-L167 HydrophobicContact CD1-CD1 4.09Å; L101-L167 HydrophobicContact CD1-CD2 4.24Å
102D93.4Very high93.3Very high104 Ų10447.1 Ų47.156%0.55624%0.244SC*.G310 helixtrans-67.2-19.2178.5-56.2-35.4000113.9K100 Y104 R134K100-D102 PolarHBondContact O-N 2.79Å; D102-Y104 VanDerWaalsContact C-N 3.26Å; D102-Y104 PolarHBondContact O-N 2.99Å; D102-R134 WeakPolarHBondContact O-CD 3.23Å; D102-R134 PolarHBondContact O-NE 2.88Å; D102-R134 VanDerWaalsContact O-NE 3.07Å
103E94.9Very high93.4Very high84 Ų8450.9 Ų50.939%0.39327%0.267SS..G310 helixtrans-77-12.2176-61-179.5-165.600112.5K100 L101 K135K100-E103 HydrophobicContact CB-CG 4.25Å; K100-E103 WeakPolarHBondContact CD-OE1 3.16Å; K100-E103 IonicContact NZ-OE1 3.56Å; K100-E103 WeakPolarHBondContact O-CB 3.47Å; K100-E103 PolarHBondContact O-N 3.11Å; K100-E103 VanDerWaalsContact O-N 3.07Å; L101-E103 PolarHBondContact O-N 3.4Å; E103-K135 PolarHBondContact O-N 2.96Å
104Y96.8Very high93.6Very high21 Ų2149.5 Ų49.58%0.08226%0.257CS..EExtended strand (participates in β ladder)trans-120.4146.1-173.3-59.3-84.4000112.4K100 L101 D102 K135 I137 L155 F166 L167K100-Y104 HydrophobicContact CB-CE2 4.37Å; K100-Y104 WeakPolarHBondContact O-CD2 3.1Å; K100-Y104 WeakPolarHBondContact O-CE2 3.3Å; L101-Y104 PolarHBondContact O-N 2.95Å; L101-Y104 VanDerWaalsContact O-N 3.15Å; D102-Y104 VanDerWaalsContact C-N 3.26Å; D102-Y104 PolarHBondContact O-N 2.99Å; Y104-K135 CarbonylContact C-O 3.58Å; Y104-K135 VanDerWaalsContact CA-O 3.29Å; Y104-K135 WeakPolarHBondContact CA-O 3.46Å; Y104-K135 HydrophobicContact CD1-CB 3.62Å; Y104-K135 HydrophobicContact CD1-CD 4.44Å; Y104-K135 HydrophobicContact CE1-CB 3.76Å; Y104-K135 HydrophobicContact CE1-CD 3.71Å; Y104-K135 HydrophobicContact CE1-CG 4.36Å; Y104-I137 HydrophobicContact CD1-CD1 4.12Å; Y104-I137 HydrophobicContact CD1-CG1 4.11Å; Y104-I137 HydrophobicContact CG-CD1 4.47Å; Y104-L155 HydrophobicContact CD1-CD1 4.39Å; Y104-L155 HydrophobicContact CE1-CD1 3.85Å; Y104-F166 HydrophobicContact CD1-CE1 4.23Å; Y104-F166 AromaticContact CE1-CE1 3.6Å; Y104-F166 HydrophobicContact CE1-CE1 3.6Å; Y104-F166 AromaticContact CE1-CZ 3.71Å; Y104-F166 HydrophobicContact CE1-CZ 3.71Å; Y104-F166 HydrophobicContact CE2-CE1 4.31Å; Y104-F166 AromaticContact CZ-CE1 3.67Å; Y104-F166 AromaticContact CZ-CZ 3.7Å; Y104-F166 WeakPolarHBondContact OH-CZ 3.25Å; Y104-L167 HydrophobicContact CD2-CD2 4.12Å; Y104-L167 HydrophobicContact CE2-CD2 4.42Å
105E97.6Very high93.8Very high1 Ų144.2 Ų44.21%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-110138.4161.4-55.9-166.7-177.300109.5H7 R9 A129 S132 R134 K135 I136 I137H7-E105 HydrophobicContact CB-CB 4.49Å; H7-E105 HydrophobicContact CB-CG 3.86Å; H7-E105 CarbonylContact O-C 3.37Å; H7-E105 VanDerWaalsContact O-CA 3.3Å; H7-E105 WeakPolarHBondContact O-CA 3.18Å; R9-E105 WeakPolarHBondContact CD-OE2 3.38Å; R9-E105 WeakPolarHBondContact CG-OE2 2.97Å; R9-E105 IonicContact CZ-OE1 3.78Å; R9-E105 IonicContact CZ-OE2 2.88Å; R9-E105 IonicContact NE-OE1 3.25Å; R9-E105 PolarHBondContact NE-OE1 2.9Å; R9-E105 IonicContact NE-OE2 2.71Å; R9-E105 PolarHBondContact NE-OE2 3.24Å; R9-E105 IonicContact NH2-OE1 2.95Å; R9-E105 PolarHBondContact NH2-OE1 2.92Å; R9-E105 IonicContact NH2-OE2 2.82Å; E105-A129 HydrophobicContact CB-CB 4.27Å; E105-A129 HydrophobicContact CG-CB 4.13Å; E105-A129 WeakPolarHBondContact OE2-CB 3.19Å; E105-S132 PolarHBondContact OE1-OG 2.87Å; E105-R134 HydrophobicContact CG-CB 3.9Å; E105-R134 VanDerWaalsContact CG-CD 3.46Å; E105-R134 HydrophobicContact CG-CG 4.33Å; E105-R134 IonicContact OE1-NH1 2.75Å; E105-K135 PolarHBondContact N-O 2.81Å; E105-I136 HydrophobicContact CB-CG1 4.31Å; E105-I136 CarbonylContact O-C 3.54Å; E105-I136 VanDerWaalsContact O-CA 3.27Å; E105-I136 WeakPolarHBondContact O-CA 3.24Å; E105-I136 WeakPolarHBondContact O-CG1 3.45Å; E105-I137 PolarHBondContact O-N 3.5Å
106L97.9Very high94Very high0 Ų042 Ų420%023%0.228CC..EExtended strand (participates in β ladder)trans-117.9128.2-175.9-51.6-178.5000109.9V6 H7 T8 L83 P84 I87 L101 I137V6-L106 HydrophobicContact CG1-CB 4.37Å; V6-L106 HydrophobicContact CG1-CD1 3.78Å; V6-L106 HydrophobicContact CG1-CG 4.07Å; H7-L106 PolarHBondContact O-N 3.26Å; T8-L106 WeakPolarHBondContact CB-O 3.39Å; T8-L106 PolarHBondContact OG1-O 3.41Å; L83-L106 HydrophobicContact CD2-CB 4.06Å; L83-L106 HydrophobicContact CG-CB 4.17Å; P84-L106 HydrophobicContact CB-CB 4.11Å; I87-L106 HydrophobicContact CB-CD1 3.72Å; I87-L106 HydrophobicContact CG1-CD1 3.59Å; I87-L106 HydrophobicContact CG2-CD1 3.79Å; L101-L106 HydrophobicContact CD1-CD1 4.45Å; L106-I137 HydrophobicContact CD2-CB 3.6Å; L106-I137 HydrophobicContact CD2-CD1 3.51Å; L106-I137 HydrophobicContact CD2-CG1 3.63Å
107V97Very high94.2Very high0 Ų047.7 Ų47.70%025%0.248CC..  trans-138.3122.2179.2-174.30000108.8R80 V119 I136 I137 V138R80-V107 HydrophobicContact CB-CG1 4.12Å; V107-V119 HydrophobicContact CG1-CG2 3.56Å; V107-I136 HydrophobicContact CG2-CD1 3.98Å; V107-I136 HydrophobicContact CG2-CG1 4.47Å; V107-I137 PolarHBondContact N-O 2.85Å; V107-V138 HydrophobicContact CB-CG1 4.44Å; V107-V138 WeakPolarHBondContact O-CA 3.49Å
108G96.7Very high94.4Very high0 Ų044.7 Ų44.70%024%0.236CC..  trans171148.917700000113.1R80 L83R80-G108 CarbonylContact C-O 3.59Å; R80-G108 PolarHBondContact O-N 2.86Å; L83-G108 WeakPolarHBondContact CB-O 3.45Å; L83-G108 PolarHBondContact N-O 3.48Å; L83-G108 VanDerWaalsContact N-O 3.11Å
109E96.6Very high95.1Very high41 Ų4144.1 Ų44.119%0.19223%0.23CC..EExtended strand (participates in β ladder)trans-86.1145.8170.2172.1172158.700110.3R48 G79 L116 R117 V119R48-E109 IonicContact NH1-OE1 3.31Å; R48-E109 PolarHBondContact NH1-OE1 2.94Å; R48-E109 IonicContact NH1-OE2 3.58Å; R48-E109 PolarHBondContact NH1-OE2 3.33Å; G79-E109 VanDerWaalsContact O-CA 3.23Å; G79-E109 WeakPolarHBondContact O-CA 3.43Å; E109-L116 CarbonylContact O-C 3.49Å; E109-L116 WeakPolarHBondContact O-CA 3.47Å; E109-R117 HydrophobicContact CB-CB 4.03Å; E109-R117 HydrophobicContact CG-CB 4.22Å; E109-R117 PolarHBondContact N-O 3.43Å; E109-R117 PolarHBondContact O-N 3.38Å; E109-R117 IonicContact OE1-NH1 3.45Å; E109-R117 PolarHBondContact OE1-NH1 3.34Å; E109-V119 HydrophobicContact CB-CG1 3.96Å
110L97.3Very high95.6Very high0 Ų040.9 Ų40.90%022%0.218CC..EExtended strand (participates in β ladder)trans-106.5130.2175.2-67.3175.4000110.6R48 A52 D82 L83 A86 A115 L116 L160R48-L110 WeakPolarHBondContact CD-O 3.27Å; R48-L110 WeakPolarHBondContact CG-O 3.44Å; A52-L110 HydrophobicContact CB-CB 4Å; A52-L110 HydrophobicContact CB-CD1 3.96Å; D82-L110 HydrophobicContact CB-CB 3.89Å; D82-L110 HydrophobicContact CB-CD1 4.09Å; D82-L110 HydrophobicContact CB-CG 3.83Å; D82-L110 PolarHBondContact OD2-N 2.91Å; L83-L110 HydrophobicContact CD1-CD2 4.42Å; A86-L110 HydrophobicContact CB-CD1 3.62Å; L110-A115 CarbonylContact C-O 3.53Å; L110-L116 HydrophobicContact CD2-CD1 3.68Å; L110-L116 HydrophobicContact CD2-CG 4.08Å; L110-L160 HydrophobicContact CD1-CD2 4.42Å; L110-L160 HydrophobicContact CD2-CB 4.22Å
111A96.5Very high95.8Very high7 Ų735.1 Ų35.16%0.05819%0.193CC..  trans-69.9159.9161.400000110.2A52 T113 G114 A115A52-A111 WeakPolarHBondContact CB-O 3.46Å; A111-T113 PolarHBondContact O-N 3.07Å; A111-G114 PolarHBondContact O-N 3.3Å; A111-A115 HydrophobicContact CB-CB 4.12Å; A111-A115 PolarHBondContact N-O 3.06Å
112L96.2Very high95.9Very high100 Ų10034.6 Ų34.652%0.52419%0.19SC..THydrogen-bonded Turntrans-56.1-25.9174.8-59-179.8000112.9R48 S51 A52 N55 G114R48-L112 HydrophobicContact CB-CD2 4.31Å; R48-L112 HydrophobicContact CG-CD2 4.43Å; S51-L112 CarbonylContact C-O 3.25Å; S51-L112 VanDerWaalsContact C-O 3.25Å; A52-L112 WeakPolarHBondContact CA-O 3.38Å; A52-L112 PolarHBondContact N-O 3.31Å; N55-L112 PolarHBondContact ND2-O 2.78Å; L112-G114 VanDerWaalsContact C-N 3.33Å
113T96.7Very high95.9Very high85 Ų8529.7 Ų29.752%0.52116%0.164SC..THydrogen-bonded Turntrans-75.5-18.4178.153.70000113.8A111 A115 H159A111-T113 PolarHBondContact O-N 3.07Å; T113-A115 PolarHBondContact OG1-N 3.35Å; T113-H159 PolarHBondContact O-NE2 3.22Å
114G96.7Very high95.9Very high0 Ų026.1 Ų26.10%015%0.148CC..SBendtrans101.1-7.4-169.300000114.4A111 L112 H159 L160A111-G114 PolarHBondContact O-N 3.3Å; L112-G114 VanDerWaalsContact C-N 3.33Å; G114-H159 WeakPolarHBondContact CA-NE2 3.37Å; G114-H159 PolarHBondContact O-CD2 3.31Å; G114-L160 PolarHBondContact O-N 3.29Å
115A98Very high95.8Very high32 Ų3225.1 Ų25.126%0.26414%0.144SC..BIsolated β-bridgetrans-64138.4174.700000111.1L110 A111 T113 D158 H159L110-A115 CarbonylContact C-O 3.53Å; A111-A115 HydrophobicContact CB-CB 4.12Å; A111-A115 PolarHBondContact N-O 3.06Å; T113-A115 PolarHBondContact OG1-N 3.35Å; A115-D158 CarbonylContact C-O 3.53Å; A115-D158 WeakPolarHBondContact CA-O 3.04Å; A115-H159 PolarHBondContact N-CD2 2.75Å; A115-H159 VanDerWaalsContact N-CD2 3.34Å
116L97.8Very high95.7Very high7 Ų725 Ų254%0.03714%0.144CC..EExtended strand (participates in β ladder)trans-81.2139.7173.5-8870.9000109.6L83 E109 L110 A139 A157 D158 V163L83-L116 HydrophobicContact CD1-CD1 4.35Å; L83-L116 HydrophobicContact CD1-CD2 4.33Å; L83-L116 HydrophobicContact CD2-CD2 3.76Å; E109-L116 CarbonylContact O-C 3.49Å; E109-L116 WeakPolarHBondContact O-CA 3.47Å; L110-L116 HydrophobicContact CD2-CD1 3.68Å; L110-L116 HydrophobicContact CD2-CG 4.08Å; L116-A139 HydrophobicContact CB-CB 3.85Å; L116-A157 HydrophobicContact CD2-CB 3.98Å; L116-D158 PolarHBondContact N-O 2.69Å; L116-V163 HydrophobicContact CD2-CG2 4.21Å
117R96.3Very high95.5Very high124 Ų12426.5 Ų26.547%0.46815%0.153SC..EExtended strand (participates in β ladder)trans-117.9145.5175.3-70.1179.5176.5169.9-3.6111E109 A139 D141E109-R117 HydrophobicContact CB-CB 4.03Å; E109-R117 HydrophobicContact CG-CB 4.22Å; E109-R117 PolarHBondContact N-O 3.43Å; E109-R117 PolarHBondContact O-N 3.38Å; E109-R117 IonicContact OE1-NH1 3.45Å; E109-R117 PolarHBondContact OE1-NH1 3.34Å; R117-A139 VanDerWaalsContact O-CB 3.31Å; R117-A139 WeakPolarHBondContact O-CB 3.37Å; R117-D141 WeakPolarHBondContact CA-OD2 3.47Å
118G94Very high95.4Very high28 Ų2829.6 Ų29.629%0.28917%0.167SC..  trans-59.5148.4176.900000113D141 N142G118-D141 PolarHBondContact N-OD2 3.35Å; G118-N142 VanDerWaalsContact CA-OD1 3.25Å; G118-N142 WeakPolarHBondContact CA-OD1 3.47Å
119V94Very high95.4Very high8 Ų829.6 Ų29.65%0.04817%0.167CC..  trans-130.4147.3176.7-62.60000111R80 V107 E109 N142R80-V119 HydrophobicContact CB-CB 4.1Å; R80-V119 HydrophobicContact CB-CG1 3.86Å; R80-V119 HydrophobicContact CB-CG2 4.12Å; V107-V119 HydrophobicContact CG1-CG2 3.56Å; E109-V119 HydrophobicContact CB-CG1 3.96Å; V119-N142 PolarHBondContact N-OD1 3Å; V119-N142 PolarHBondContact O-ND2 3.18Å
120P92Very high95.2Very high83 Ų8330 Ų3054%0.53917%0.17SC..SBendtrans-65.6154.2178.727.9-35.9000110.9R80R80-P120 PolarHBondContact NH2-O 2.94Å
121G92.5Very high95Very high1 Ų137.1 Ų37.11%0.0120%0.201CC..  trans73.528.8176.500000114.2S125G121-S125 WeakPolarHBondContact O-CB 3.4Å; G121-S125 PolarHBondContact O-N 3.21Å; G121-S125 VanDerWaalsContact O-N 3.16Å; G121-S125 PolarHBondContact O-OG 3.17Å
122A94.1Very high94.9Very high1 Ų139.3 Ų39.31%0.00822%0.216CC..Hα-helixtrans-66.2-40.8176.700000111.9S124 S125 A126 N142 E145 V146A122-S124 PolarHBondContact O-N 2.82Å; A122-S125 PolarHBondContact O-N 2.92Å; A122-A126 WeakPolarHBondContact O-CB 3.44Å; A122-A126 PolarHBondContact O-N 3.15Å; A122-N142 HydrophobicContact CB-CB 3.85Å; A122-E145 HydrophobicContact CB-CB 4.49Å; A122-V146 HydrophobicContact CB-CG1 4.03Å
123I94.4Very high94.7Very high1 Ų138 Ų381%0.00523%0.226CC..Hα-helixtrans-56.7-52.3177.4-56.2179.7000110.8S125 A126 T127 E145 L148 I149 L243 A246 A247 V257I123-S125 PolarHBondContact O-N 3.5Å; I123-A126 PolarHBondContact O-N 3.27Å; I123-T127 VanDerWaalsContact O-CB 3.32Å; I123-T127 WeakPolarHBondContact O-CB 3.27Å; I123-T127 PolarHBondContact O-N 3.36Å; I123-T127 PolarHBondContact O-OG1 3.45Å; I123-E145 HydrophobicContact CD1-CB 4.18Å; I123-E145 HydrophobicContact CD1-CG 4.34Å; I123-E145 HydrophobicContact CG1-CB 3.72Å; I123-E145 HydrophobicContact CG1-CG 4.25Å; I123-L148 HydrophobicContact CD1-CD1 3.98Å; I123-I149 HydrophobicContact CG2-CD1 4.36Å; I123-I149 HydrophobicContact CG2-CG1 4.48Å; I123-L243 HydrophobicContact CG2-CD2 4.24Å; I123-A246 HydrophobicContact CD1-CB 3.83Å; I123-A247 HydrophobicContact CB-CB 4.33Å; I123-A247 HydrophobicContact CG2-CB 4.09Å; I123-V257 HydrophobicContact CD1-CG1 4.26Å
124S94.6Very high94.7Very high8 Ų837.2 Ų37.26%0.05621%0.214CC..Hα-helixtrans-60.9-43.8178.5-610000112.1V14 A122 T127 E128V14-S124 WeakPolarHBondContact O-CB 3.42Å; V14-S124 PolarHBondContact O-OG 3.07Å; A122-S124 PolarHBondContact O-N 2.82Å; S124-T127 PolarHBondContact O-N 2.81Å; S124-E128 WeakPolarHBondContact O-CB 3.29Å; S124-E128 WeakPolarHBondContact O-CG 3.3Å; S124-E128 PolarHBondContact O-N 3.15Å
125S95.4Very high94.6Very high0 Ų041.8 Ų41.80%023%0.234CC..Hα-helixtrans-63.1-45.7-179.6-54.90000111.3R80 G121 A122 I123 A129R80-S125 PolarHBondContact NH1-OG 3.01Å; G121-S125 WeakPolarHBondContact O-CB 3.4Å; G121-S125 PolarHBondContact O-N 3.21Å; G121-S125 VanDerWaalsContact O-N 3.16Å; G121-S125 PolarHBondContact O-OG 3.17Å; A122-S125 PolarHBondContact O-N 2.92Å; I123-S125 PolarHBondContact O-N 3.5Å; S125-A129 VanDerWaalsContact O-CB 3.26Å; S125-A129 WeakPolarHBondContact O-CB 3.38Å; S125-A129 PolarHBondContact O-N 3.41Å
126A95.5Very high94.6Very high0 Ų040.2 Ų40.20%022%0.221CC..Hα-helixtrans-66.9-43.8178.900000112.6A122 I123 E128 A129 I130 I136 V146 I149A122-A126 WeakPolarHBondContact O-CB 3.44Å; A122-A126 PolarHBondContact O-N 3.15Å; I123-A126 PolarHBondContact O-N 3.27Å; A126-E128 PolarHBondContact O-N 3.33Å; A126-A129 PolarHBondContact O-N 3.31Å; A126-I130 WeakPolarHBondContact O-CB 3.49Å; A126-I130 VanDerWaalsContact O-CG1 3.24Å; A126-I130 WeakPolarHBondContact O-CG1 3.38Å; A126-I130 PolarHBondContact O-N 3.08Å; A126-I136 HydrophobicContact CB-CD1 4.14Å; A126-I136 HydrophobicContact CB-CG2 3.8Å; A126-V146 HydrophobicContact CB-CG1 4Å; A126-I149 HydrophobicContact CB-CD1 3.43Å; A126-I149 VanDerWaalsContact CB-CD1 3.43Å
127T94.1Very high94.6Very high31 Ų3139.9 Ų39.919%0.1922%0.219CC..Hα-helixtrans-59.2-47.1178-59.50000111.2I123 S124 K131I123-T127 VanDerWaalsContact O-CB 3.32Å; I123-T127 WeakPolarHBondContact O-CB 3.27Å; I123-T127 PolarHBondContact O-N 3.36Å; I123-T127 PolarHBondContact O-OG1 3.45Å; S124-T127 PolarHBondContact O-N 2.81Å; T127-K131 HydrophobicContact CG2-CD 4.3Å; T127-K131 WeakPolarHBondContact O-CB 3.13Å; T127-K131 VanDerWaalsContact O-CG 3.29Å; T127-K131 WeakPolarHBondContact O-CG 3.31Å; T127-K131 PolarHBondContact O-N 3.02Å
128E94.8Very high94.6Very high64 Ų6434 Ų3430%0.29920%0.197SC..Hα-helixtrans-73.9-31.5-179.6-67.2-57.1126.900113.4R9 A16 S124 A126 K131 S132R9-E128 PolarHBondContact NH2-O 3.35Å; A16-E128 HydrophobicContact CB-CB 4.29Å; A16-E128 HydrophobicContact CB-CG 4.22Å; S124-E128 WeakPolarHBondContact O-CB 3.29Å; S124-E128 WeakPolarHBondContact O-CG 3.3Å; S124-E128 PolarHBondContact O-N 3.15Å; A126-E128 PolarHBondContact O-N 3.33Å; E128-K131 WeakPolarHBondContact OE1-CD 3.36Å; E128-K131 IonicContact OE1-NZ 2.86Å; E128-K131 PolarHBondContact OE1-NZ 2.63Å; E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 2.93Å; E128-S132 VanDerWaalsContact O-N 3.08Å; E128-S132 PolarHBondContact O-OG 2.89Å
129A95.4Very high94.8Very high0 Ų032.7 Ų32.70%018%0.183CC..Hα-helixtrans-62.1-50.2171.600000111.1E105 S125 A126 S132 G133 R134 I136E105-A129 HydrophobicContact CB-CB 4.27Å; E105-A129 HydrophobicContact CG-CB 4.13Å; E105-A129 WeakPolarHBondContact OE2-CB 3.19Å; S125-A129 VanDerWaalsContact O-CB 3.26Å; S125-A129 WeakPolarHBondContact O-CB 3.38Å; S125-A129 PolarHBondContact O-N 3.41Å; A126-A129 PolarHBondContact O-N 3.31Å; A129-S132 CarbonylContact O-C 3.59Å; A129-S132 WeakPolarHBondContact O-CA 3.41Å; A129-S132 PolarHBondContact O-N 2.84Å; A129-S132 VanDerWaalsContact O-N 3.08Å; A129-S132 PolarHBondContact O-OG 2.78Å; A129-G133 PolarHBondContact O-N 3.47Å; A129-R134 CarbonylContact C-O 3.59Å; A129-R134 PolarHBondContact O-N 2.76Å; A129-I136 HydrophobicContact CB-CB 3.98Å; A129-I136 HydrophobicContact CB-CD1 4.14Å; A129-I136 HydrophobicContact CB-CG1 4.41Å
130I93.8Very high94.9Very high51 Ų5136 Ų3626%0.26220%0.197SC..Hα-helixtrans-62.8-45.4179.5-67.2167.5000110.9A126 S132 G133 R134 I149A126-I130 WeakPolarHBondContact O-CB 3.49Å; A126-I130 VanDerWaalsContact O-CG1 3.24Å; A126-I130 WeakPolarHBondContact O-CG1 3.38Å; A126-I130 PolarHBondContact O-N 3.08Å; I130-S132 PolarHBondContact O-N 3.08Å; I130-G133 PolarHBondContact O-N 3.21Å; I130-R134 WeakPolarHBondContact CA-O 3.49Å; I130-I149 HydrophobicContact CD1-CG2 4.01Å
131K92.8Very high95Very high148 Ų14837.2 Ų37.264%0.64320%0.199SC*.Hα-helixtrans-58.1-32.3174.2-76.7176.3-173.1168.70112.8T127 E128 G133T127-K131 HydrophobicContact CG2-CD 4.3Å; T127-K131 WeakPolarHBondContact O-CB 3.13Å; T127-K131 VanDerWaalsContact O-CG 3.29Å; T127-K131 WeakPolarHBondContact O-CG 3.31Å; T127-K131 PolarHBondContact O-N 3.02Å; E128-K131 WeakPolarHBondContact OE1-CD 3.36Å; E128-K131 IonicContact OE1-NZ 2.86Å; E128-K131 PolarHBondContact OE1-NZ 2.63Å; K131-G133 PolarHBondContact O-N 2.85Å
132S93.3Very high95Very high54 Ų5437.4 Ų37.438%0.37820%0.2SC..THydrogen-bonded Turntrans-81.43.1175.876.20000114.5R9 E105 E128 A129 I130R9-S132 PolarHBondContact NH2-OG 2.81Å; E105-S132 PolarHBondContact OE1-OG 2.87Å; E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 2.93Å; E128-S132 VanDerWaalsContact O-N 3.08Å; E128-S132 PolarHBondContact O-OG 2.89Å; A129-S132 CarbonylContact O-C 3.59Å; A129-S132 WeakPolarHBondContact O-CA 3.41Å; A129-S132 PolarHBondContact O-N 2.84Å; A129-S132 VanDerWaalsContact O-N 3.08Å; A129-S132 PolarHBondContact O-OG 2.78Å; I130-S132 PolarHBondContact O-N 3.08Å
133G93.7Very high95Very high71 Ų7138.6 Ų38.673%0.73221%0.205SC*.THydrogen-bonded Turntrans81.315.3178.600000114.6A129 I130 K131A129-G133 PolarHBondContact O-N 3.47Å; I130-G133 PolarHBondContact O-N 3.21Å; K131-G133 PolarHBondContact O-N 2.85Å
134R94.8Very high94.8Very high70 Ų7043 Ų4326%0.26423%0.229SC..  trans-107.6152176.8-68.1-170.4-176.587.4-0.5111.8H7 D102 E105 A129 I130H7-R134 PolarHBondContact CD2-NE 2.95Å; H7-R134 PolarHBondContact CE1-NH2 2.92Å; H7-R134 PolarHBondContact NE2-NH2 3.06Å; D102-R134 WeakPolarHBondContact O-CD 3.23Å; D102-R134 PolarHBondContact O-NE 2.88Å; D102-R134 VanDerWaalsContact O-NE 3.07Å; E105-R134 HydrophobicContact CG-CB 3.9Å; E105-R134 VanDerWaalsContact CG-CD 3.46Å; E105-R134 HydrophobicContact CG-CG 4.33Å; E105-R134 IonicContact OE1-NH1 2.75Å; A129-R134 CarbonylContact C-O 3.59Å; A129-R134 PolarHBondContact O-N 2.76Å; I130-R134 WeakPolarHBondContact CA-O 3.49Å
135K96.4Very high94.6Very high95 Ų9543.1 Ų43.141%0.41323%0.229SC..EExtended strand (participates in β ladder)trans-79.5158.2164.5-67177.1-177.8170.20109.2E103 Y104 E105 G153E103-K135 PolarHBondContact O-N 2.96Å; Y104-K135 CarbonylContact C-O 3.58Å; Y104-K135 VanDerWaalsContact CA-O 3.29Å; Y104-K135 WeakPolarHBondContact CA-O 3.46Å; Y104-K135 HydrophobicContact CD1-CB 3.62Å; Y104-K135 HydrophobicContact CD1-CD 4.44Å; Y104-K135 HydrophobicContact CE1-CB 3.76Å; Y104-K135 HydrophobicContact CE1-CD 3.71Å; Y104-K135 HydrophobicContact CE1-CG 4.36Å; E105-K135 PolarHBondContact N-O 2.81Å; K135-G153 CarbonylContact C-O 3.39Å; K135-G153 VanDerWaalsContact CA-O 3.27Å; K135-G153 WeakPolarHBondContact CA-O 3.48Å; K135-G153 WeakPolarHBondContact CB-O 3.09Å
136I97.2Very high94.5Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-125139.3177-166.8172.2000110.6E105 V107 A126 A129 V138 G153 C154 L155E105-I136 HydrophobicContact CB-CG1 4.31Å; E105-I136 CarbonylContact O-C 3.54Å; E105-I136 VanDerWaalsContact O-CA 3.27Å; E105-I136 WeakPolarHBondContact O-CA 3.24Å; E105-I136 WeakPolarHBondContact O-CG1 3.45Å; V107-I136 HydrophobicContact CG2-CD1 3.98Å; V107-I136 HydrophobicContact CG2-CG1 4.47Å; A126-I136 HydrophobicContact CB-CD1 4.14Å; A126-I136 HydrophobicContact CB-CG2 3.8Å; A129-I136 HydrophobicContact CB-CB 3.98Å; A129-I136 HydrophobicContact CB-CD1 4.14Å; A129-I136 HydrophobicContact CB-CG1 4.41Å; I136-V138 HydrophobicContact CD1-CG1 3.95Å; I136-V138 HydrophobicContact CG1-CG1 3.96Å; I136-G153 PolarHBondContact N-O 2.91Å; I136-C154 HydrophobicContact CG2-CB 4.25Å; I136-L155 PolarHBondContact O-N 3.48Å
137I97.5Very high94.3Very high0 Ų043.2 Ų43.20%023%0.229CC..EExtended strand (participates in β ladder)trans-111.1121.8170.8-48.4-175.7000108.2Y104 E105 L106 V107 L155 A157 V163 F166 L173Y104-I137 HydrophobicContact CD1-CD1 4.12Å; Y104-I137 HydrophobicContact CD1-CG1 4.11Å; Y104-I137 HydrophobicContact CG-CD1 4.47Å; E105-I137 PolarHBondContact O-N 3.5Å; L106-I137 HydrophobicContact CD2-CB 3.6Å; L106-I137 HydrophobicContact CD2-CD1 3.51Å; L106-I137 HydrophobicContact CD2-CG1 3.63Å; V107-I137 PolarHBondContact N-O 2.85Å; I137-L155 WeakPolarHBondContact CA-O 3.2Å; I137-L155 HydrophobicContact CG1-CB 4.24Å; I137-L155 HydrophobicContact CG1-CD1 4.3Å; I137-A157 HydrophobicContact CG2-CB 4.27Å; I137-V163 HydrophobicContact CD1-CG1 4.21Å; I137-V163 HydrophobicContact CG2-CG2 4.16Å; I137-F166 HydrophobicContact CD1-CD1 3.84Å; I137-F166 HydrophobicContact CD1-CE1 3.79Å; I137-L173 HydrophobicContact CD1-CD1 3.88Å; I137-L173 HydrophobicContact CG1-CD1 4.33Å; I137-L173 HydrophobicContact CG2-CD1 3.74Å
138V97Very high94.1Very high0 Ų041.9 Ų41.90%022%0.221CC..EExtended strand (participates in β ladder)trans-123.3167.9177.8-58.10000111.5V107 I136 N142 V146 L155 I156 A157V107-V138 HydrophobicContact CB-CG1 4.44Å; V107-V138 WeakPolarHBondContact O-CA 3.49Å; I136-V138 HydrophobicContact CD1-CG1 3.95Å; I136-V138 HydrophobicContact CG1-CG1 3.96Å; V138-N142 HydrophobicContact CB-CB 4.47Å; V138-N142 HydrophobicContact CG2-CB 4.21Å; V138-V146 HydrophobicContact CG2-CG1 4.04Å; V138-V146 HydrophobicContact CG2-CG2 3.84Å; V138-L155 PolarHBondContact N-O 3.36Å; V138-I156 HydrophobicContact CG2-CG2 4.02Å; V138-I156 WeakPolarHBondContact O-CA 3.34Å; V138-A157 PolarHBondContact O-N 2.96Å
139A97.3Very high93.8Very high0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-64.4147.2172.600000111.3L116 R117 D141 N142 A157L116-A139 HydrophobicContact CB-CB 3.85Å; R117-A139 VanDerWaalsContact O-CB 3.31Å; R117-A139 WeakPolarHBondContact O-CB 3.37Å; A139-D141 HydrophobicContact CB-CB 4.48Å; A139-D141 PolarHBondContact O-N 2.84Å; A139-N142 PolarHBondContact O-N 2.97Å; A139-A157 CarbonylContact C-O 3.47Å; A139-A157 WeakPolarHBondContact CA-O 3.47Å
140K95.6Very high92.7Very high78 Ų7844.6 Ų44.634%0.33924%0.238SC..G310 helixtrans-56.9-31.7173.1-173.8160.2-171.6151.50112.6N142 E143 I156 A157 D158 E174K140-N142 PolarHBondContact O-N 3.38Å; K140-N142 VanDerWaalsContact O-N 3.13Å; K140-E143 WeakPolarHBondContact O-CB 3.33Å; K140-E143 PolarHBondContact O-N 3.06Å; K140-I156 HydrophobicContact CG-CD1 4.33Å; K140-A157 PolarHBondContact N-O 3.45Å; K140-D158 HydrophobicContact CB-CB 4.31Å; K140-D158 HydrophobicContact CD-CB 4.4Å; K140-E174 IonicContact NZ-OE2 2.69Å; K140-E174 PolarHBondContact NZ-OE2 2.6Å
141D94Very high91.3Very high108 Ų10843.9 Ų43.958%0.57824%0.242SC*.G310 helixtrans-57.8-24.3173.3-63.2-4.6000113.8R117 G118 A139R117-D141 WeakPolarHBondContact CA-OD2 3.47Å; G118-D141 PolarHBondContact N-OD2 3.35Å; A139-D141 HydrophobicContact CB-CB 4.48Å; A139-D141 PolarHBondContact O-N 2.84Å
142N93.8Very high90.6Very high5 Ų544.1 Ų44.13%0.02725%0.246CC..G310 helixtrans-92.23.9176-69.7124.6000113.1G118 V119 A122 V138 A139 K140 D144 E145 V146G118-N142 VanDerWaalsContact CA-OD1 3.25Å; G118-N142 WeakPolarHBondContact CA-OD1 3.47Å; V119-N142 PolarHBondContact N-OD1 3Å; V119-N142 PolarHBondContact O-ND2 3.18Å; A122-N142 HydrophobicContact CB-CB 3.85Å; V138-N142 HydrophobicContact CB-CB 4.47Å; V138-N142 HydrophobicContact CG2-CB 4.21Å; A139-N142 PolarHBondContact O-N 2.97Å; K140-N142 PolarHBondContact O-N 3.38Å; K140-N142 VanDerWaalsContact O-N 3.13Å; N142-D144 PolarHBondContact O-N 3.16Å; N142-E145 PolarHBondContact ND2-OE2 3.33Å; N142-E145 PolarHBondContact O-N 3.07Å; N142-E145 VanDerWaalsContact O-N 3.08Å; N142-V146 WeakPolarHBondContact O-CG2 3.35Å; N142-V146 PolarHBondContact O-N 2.7Å; N142-V146 VanDerWaalsContact O-N 3.08Å
143E93.1Very high90.5Very high27 Ų2742.1 Ų42.113%0.12623%0.234CC..Hα-helixtrans-50.1-46-176.7176.1172.7-167.100111.7K140 E145 V146 G147 I156 P176 K177K140-E143 WeakPolarHBondContact O-CB 3.33Å; K140-E143 PolarHBondContact O-N 3.06Å; E143-E145 VanDerWaalsContact C-N 3.29Å; E143-E145 PolarHBondContact O-N 3.44Å; E143-V146 PolarHBondContact O-N 2.72Å; E143-G147 WeakPolarHBondContact O-CA 3.26Å; E143-G147 PolarHBondContact O-N 3.45Å; E143-I156 HydrophobicContact CB-CD1 4.19Å; E143-I156 HydrophobicContact CB-CG2 4.36Å; E143-I156 HydrophobicContact CG-CD1 3.93Å; E143-P176 HydrophobicContact CG-CB 3.96Å; E143-K177 WeakPolarHBondContact OE1-CG 3.41Å; E143-K177 PolarHBondContact OE1-N 2.82Å
144D89.9Confident90.6Very high92 Ų9238.9 Ų38.949%0.49220%0.2SC..Hα-helixtrans-61.5-34-177.6-76.4-17.4000113.9N142 L148 Q258N142-D144 PolarHBondContact O-N 3.16Å; D144-L148 WeakPolarHBondContact O-CG 3.43Å; D144-Q258 VanDerWaalsContact CA-NE2 3.25Å; D144-Q258 HydrophobicContact CB-CG 4.05Å; D144-Q258 VanDerWaalsContact CG-CD 3.45Å; D144-Q258 PolarHBondContact O-NE2 2.99Å; D144-Q258 PolarHBondContact OD1-NE2 2.97Å
145E91.6Very high90.7Very high12 Ų1236.4 Ų36.46%0.05619%0.192CC..Hα-helixtrans-78.7-50.5178.1-77.1-18096.500111.2A122 I123 N142 E143 G147 L148 S250A122-E145 HydrophobicContact CB-CB 4.49Å; I123-E145 HydrophobicContact CD1-CB 4.18Å; I123-E145 HydrophobicContact CD1-CG 4.34Å; I123-E145 HydrophobicContact CG1-CB 3.72Å; I123-E145 HydrophobicContact CG1-CG 4.25Å; N142-E145 PolarHBondContact ND2-OE2 3.33Å; N142-E145 PolarHBondContact O-N 3.07Å; N142-E145 VanDerWaalsContact O-N 3.08Å; E143-E145 VanDerWaalsContact C-N 3.29Å; E143-E145 PolarHBondContact O-N 3.44Å; E145-G147 VanDerWaalsContact C-N 3.29Å; E145-G147 PolarHBondContact O-N 3.37Å; E145-L148 WeakPolarHBondContact O-CB 3.37Å; E145-L148 WeakPolarHBondContact O-CG 3.07Å; E145-L148 PolarHBondContact O-N 2.81Å; E145-S250 WeakPolarHBondContact OE1-CB 3.43Å; E145-S250 PolarHBondContact OE1-OG 3.5Å
146V92.9Very high90.7Very high0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-75.5-20.2-176.7-62.20000112.6A122 A126 V138 N142 E143 L148 I149 C154 I156 P176A122-V146 HydrophobicContact CB-CG1 4.03Å; A126-V146 HydrophobicContact CB-CG1 4Å; V138-V146 HydrophobicContact CG2-CG1 4.04Å; V138-V146 HydrophobicContact CG2-CG2 3.84Å; N142-V146 WeakPolarHBondContact O-CG2 3.35Å; N142-V146 PolarHBondContact O-N 2.7Å; N142-V146 VanDerWaalsContact O-N 3.08Å; E143-V146 PolarHBondContact O-N 2.72Å; V146-L148 PolarHBondContact O-N 3.08Å; V146-I149 WeakPolarHBondContact O-CB 3.34Å; V146-I149 PolarHBondContact O-N 3.32Å; V146-I149 VanDerWaalsContact O-N 3.15Å; V146-C154 HydrophobicContact CB-CB 4.31Å; V146-C154 HydrophobicContact CG2-CB 4.38Å; V146-I156 HydrophobicContact CG2-CG2 4.24Å; V146-P176 HydrophobicContact CG2-CB 3.79Å; V146-P176 HydrophobicContact CG2-CG 3.88Å
147G91.3Very high90.7Very high2 Ų232.2 Ų32.22%0.02118%0.175CC..THydrogen-bonded Turntrans-67.6-15.6171.700000114.1E143 E145 I149 K177 T179E143-G147 WeakPolarHBondContact O-CA 3.26Å; E143-G147 PolarHBondContact O-N 3.45Å; E145-G147 VanDerWaalsContact C-N 3.29Å; E145-G147 PolarHBondContact O-N 3.37Å; G147-I149 VanDerWaalsContact C-N 3.27Å; G147-K177 WeakPolarHBondContact CA-O 3.32Å; G147-T179 PolarHBondContact O-N 3.01Å
148L89.8Confident90.7Very high2 Ų236.6 Ų36.61%0.0120%0.198CC..THydrogen-bonded Turntrans-72-26.3171.4-54173.3000111.9I123 D144 E145 V146 N150 T179 L243 A246 V257 W261I123-L148 HydrophobicContact CD1-CD1 3.98Å; D144-L148 WeakPolarHBondContact O-CG 3.43Å; E145-L148 WeakPolarHBondContact O-CB 3.37Å; E145-L148 WeakPolarHBondContact O-CG 3.07Å; E145-L148 PolarHBondContact O-N 2.81Å; V146-L148 PolarHBondContact O-N 3.08Å; L148-N150 PolarHBondContact O-N 2.97Å; L148-N150 VanDerWaalsContact O-N 3.16Å; L148-T179 HydrophobicContact CD2-CG2 3.87Å; L148-T179 WeakPolarHBondContact CD2-OG1 3.47Å; L148-L243 HydrophobicContact CB-CD2 3.95Å; L148-A246 HydrophobicContact CD1-CB 4.1Å; L148-V257 HydrophobicContact CD1-CG1 3.4Å; L148-V257 VanDerWaalsContact CD1-CG1 3.4Å; L148-W261 HydrophobicContact CB-CE3 4.33Å; L148-W261 HydrophobicContact CB-CH2 3.84Å; L148-W261 HydrophobicContact CB-CZ2 4.15Å; L148-W261 HydrophobicContact CB-CZ3 3.92Å; L148-W261 HydrophobicContact CD1-CE3 4.02Å; L148-W261 HydrophobicContact CD1-CZ3 4.09Å; L148-W261 HydrophobicContact CD2-CB 4.46Å; L148-W261 HydrophobicContact CD2-CD2 3.65Å; L148-W261 HydrophobicContact CD2-CE3 3.8Å; L148-W261 HydrophobicContact CD2-CG 3.94Å; L148-W261 HydrophobicContact CD2-CZ2 4.44Å; L148-W261 HydrophobicContact CD2-CZ3 4.27Å; L148-W261 HydrophobicContact CG-CE3 4.26Å; L148-W261 HydrophobicContact CG-CZ3 4.31Å
149I88.8Confident90.8Very high20 Ų2038.4 Ų38.410%0.10321%0.206CC..SBendtrans-79.699.4174.5-52.7169.1000105.4I123 A126 I130 V146 G147 G151 L243I123-I149 HydrophobicContact CG2-CD1 4.36Å; I123-I149 HydrophobicContact CG2-CG1 4.48Å; A126-I149 HydrophobicContact CB-CD1 3.43Å; A126-I149 VanDerWaalsContact CB-CD1 3.43Å; I130-I149 HydrophobicContact CD1-CG2 4.01Å; V146-I149 WeakPolarHBondContact O-CB 3.34Å; V146-I149 PolarHBondContact O-N 3.32Å; V146-I149 VanDerWaalsContact O-N 3.15Å; G147-I149 VanDerWaalsContact C-N 3.27Å; I149-G151 PolarHBondContact O-N 3.24Å; I149-L243 HydrophobicContact CG1-CD2 3.85Å
150N72.9Confident90.8Very high102 Ų10238.4 Ų38.455%0.54521%0.206SC..  trans-63.423.6176.9-72.2-36.8000113.9L148L148-N150 PolarHBondContact O-N 2.97Å; L148-N150 VanDerWaalsContact O-N 3.16Å
151G64.6Low90.9Very high35 Ų3539.2 Ų39.236%0.36121%0.211SC..SBendtrans-100.1138.4-169.900000113I149 G153I149-G151 PolarHBondContact O-N 3.24Å; G151-G153 PolarHBondContact O-N 3.29Å
152E76.7Confident91Very high153 Ų15334.8 Ų34.872%0.71519%0.19SC*.THydrogen-bonded Turntrans-64.7111.4159.2-58.8-156121.400108.5R175E152-R175 IonicContact OE1-CZ 2.9Å; E152-R175 IonicContact OE1-NH1 3.71Å; E152-R175 PolarHBondContact OE1-NH1 3.16Å; E152-R175 IonicContact OE1-NH2 3.75Å
153G91.6Very high91.2Very high12 Ų1234.6 Ų34.612%0.12419%0.189CC..THydrogen-bonded Turntrans164.4-28.2-179.400000114.8K135 I136 G151K135-G153 CarbonylContact C-O 3.39Å; K135-G153 VanDerWaalsContact CA-O 3.27Å; K135-G153 WeakPolarHBondContact CA-O 3.48Å; K135-G153 WeakPolarHBondContact CB-O 3.09Å; I136-G153 PolarHBondContact N-O 2.91Å; G151-G153 PolarHBondContact O-N 3.29Å
154C95.5Very high91.4Very high4 Ų433.3 Ų33.33%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-88.8133.7178.2-59.40000111.6I136 V146 P176I136-C154 HydrophobicContact CG2-CB 4.25Å; V146-C154 HydrophobicContact CB-CB 4.31Å; V146-C154 HydrophobicContact CG2-CB 4.38Å; C154-P176 HydrophobicContact CB-CG 3.71Å; C154-P176 VanDerWaalsContact O-CD 3.25Å; C154-P176 WeakPolarHBondContact O-CD 3.39Å
155L96.5Very high91.7Very high17 Ų1730 Ų309%0.08917%0.168CC..EExtended strand (participates in β ladder)trans-125144.7170.7-61.5173.5000108.8Y104 I136 I137 V138 F166 L173 R175Y104-L155 HydrophobicContact CD1-CD1 4.39Å; Y104-L155 HydrophobicContact CE1-CD1 3.85Å; I136-L155 PolarHBondContact O-N 3.48Å; I137-L155 WeakPolarHBondContact CA-O 3.2Å; I137-L155 HydrophobicContact CG1-CB 4.24Å; I137-L155 HydrophobicContact CG1-CD1 4.3Å; V138-L155 PolarHBondContact N-O 3.36Å; L155-F166 HydrophobicContact CD1-CE1 3.76Å; L155-F166 HydrophobicContact CD1-CE2 4.1Å; L155-F166 HydrophobicContact CD1-CZ 3.39Å; L155-L173 HydrophobicContact CB-CB 4.13Å; L155-L173 HydrophobicContact CB-CD1 4.18Å; L155-L173 HydrophobicContact CD2-CB 4.39Å; L155-R175 HydrophobicContact CD2-CG 4.3Å
156I96.8Very high91.9Very high4 Ų431.1 Ų31.12%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-116.7143.5179.858.6173.2000111V138 K140 E143 V146 E174 P176V138-I156 HydrophobicContact CG2-CG2 4.02Å; V138-I156 WeakPolarHBondContact O-CA 3.34Å; K140-I156 HydrophobicContact CG-CD1 4.33Å; E143-I156 HydrophobicContact CB-CD1 4.19Å; E143-I156 HydrophobicContact CB-CG2 4.36Å; E143-I156 HydrophobicContact CG-CD1 3.93Å; V146-I156 HydrophobicContact CG2-CG2 4.24Å; I156-E174 HydrophobicContact CD1-CB 4.09Å; I156-E174 HydrophobicContact CG1-CB 3.82Å; I156-E174 WeakPolarHBondContact CG1-O 3.48Å; I156-E174 PolarHBondContact N-O 3.44Å; I156-P176 HydrophobicContact CG2-CB 4.14Å
157A97.6Very high92Very high4 Ų432.1 Ų32.13%0.03318%0.178CC..EExtended strand (participates in β ladder)trans-140.1145.8175.300000111L116 I137 V138 A139 K140 V163 L173L116-A157 HydrophobicContact CD2-CB 3.98Å; I137-A157 HydrophobicContact CG2-CB 4.27Å; V138-A157 PolarHBondContact O-N 2.96Å; A139-A157 CarbonylContact C-O 3.47Å; A139-A157 WeakPolarHBondContact CA-O 3.47Å; K140-A157 PolarHBondContact N-O 3.45Å; A157-V163 HydrophobicContact CB-CG2 3.43Å; A157-V163 VanDerWaalsContact CB-CG2 3.43Å; A157-L173 HydrophobicContact CB-CD1 4.3Å; A157-L173 HydrophobicContact CB-CD2 3.94Å
158D97.5Very high92.2Very high92 Ų9234.9 Ų34.949%0.49219%0.191SC..SBendtrans-100-17.8177.259.4-2.9000112.9A115 L116 K140A115-D158 CarbonylContact C-O 3.53Å; A115-D158 WeakPolarHBondContact CA-O 3.04Å; L116-D158 PolarHBondContact N-O 2.69Å; K140-D158 HydrophobicContact CB-CB 4.31Å; K140-D158 HydrophobicContact CD-CB 4.4Å
159H98.2Very high92.3Very high38 Ų3838 Ų3818%0.17622%0.223CC..BIsolated β-bridgetrans-148147.4-173.9-158.7-94.2000113.3S56 T113 G114 A115 Q161 A162 V163S56-H159 PolarHBondContact OG-CE1 3.31Å; T113-H159 PolarHBondContact O-NE2 3.22Å; G114-H159 WeakPolarHBondContact CA-NE2 3.37Å; G114-H159 PolarHBondContact O-CD2 3.31Å; A115-H159 PolarHBondContact N-CD2 2.75Å; A115-H159 VanDerWaalsContact N-CD2 3.34Å; H159-Q161 WeakPolarHBondContact ND1-CB 3.48Å; H159-Q161 WeakPolarHBondContact ND1-CG 3.14Å; H159-Q161 PolarHBondContact ND1-N 3.24Å; H159-Q161 PolarHBondContact O-N 3.2Å; H159-A162 WeakPolarHBondContact O-CB 3.46Å; H159-A162 PolarHBondContact O-N 3.46Å; H159-V163 PolarHBondContact O-N 3.46Å
160L97.8Very high92.5Very high0 Ų044 Ų440%025%0.249CC..Hα-helixtrans-55.8-37.9178.6176.660.7000111.9I53 L83 A86 I87 L110 G114 A162 V163 C164I53-L160 HydrophobicContact CG1-CD2 4.27Å; L83-L160 HydrophobicContact CD1-CD1 3.97Å; A86-L160 HydrophobicContact CB-CD1 4.02Å; A86-L160 HydrophobicContact CB-CD2 4.16Å; I87-L160 HydrophobicContact CD1-CD1 3.77Å; I87-L160 HydrophobicContact CG1-CD1 4.42Å; L110-L160 HydrophobicContact CD1-CD2 4.42Å; L110-L160 HydrophobicContact CD2-CB 4.22Å; G114-L160 PolarHBondContact O-N 3.29Å; L160-A162 VanDerWaalsContact C-N 3.34Å; L160-A162 PolarHBondContact O-N 3.15Å; L160-V163 PolarHBondContact O-N 3.47Å; L160-C164 PolarHBondContact O-N 2.89Å; L160-C164 PolarHBondContact O-SG 3.25Å
161Q97.4Very high93.5Very high94 Ų9444 Ų4444%0.43925%0.245SC..Hα-helixtrans-60.8-40.1176.1-69.5175.3-31.400112.7S56 Y58 H159 V163 C164 A165S56-Q161 WeakPolarHBondContact O-CG 3.42Å; S56-Q161 PolarHBondContact O-NE2 3.28Å; Y58-Q161 HydrophobicContact CE2-CG 4.46Å; H159-Q161 WeakPolarHBondContact ND1-CB 3.48Å; H159-Q161 WeakPolarHBondContact ND1-CG 3.14Å; H159-Q161 PolarHBondContact ND1-N 3.24Å; H159-Q161 PolarHBondContact O-N 3.2Å; Q161-V163 VanDerWaalsContact C-N 3.34Å; Q161-C164 PolarHBondContact O-N 3.41Å; Q161-A165 VanDerWaalsContact O-CB 3.3Å; Q161-A165 WeakPolarHBondContact O-CB 3.33Å; Q161-A165 PolarHBondContact O-N 2.76Å
162A97.3Very high94.9Very high16 Ų1645.9 Ų45.913%0.13226%0.258CS..Hα-helixtrans-65-41.4178.800000110.8H159 L160 F166 L173H159-A162 WeakPolarHBondContact O-CB 3.46Å; H159-A162 PolarHBondContact O-N 3.46Å; L160-A162 VanDerWaalsContact C-N 3.34Å; L160-A162 PolarHBondContact O-N 3.15Å; A162-F166 VanDerWaalsContact O-CB 3.32Å; A162-F166 WeakPolarHBondContact O-CB 3.4Å; A162-F166 PolarHBondContact O-N 3.42Å; A162-L173 HydrophobicContact CB-CD2 4.08Å
163V97.5Very high95.8Very high0 Ų039.5 Ų39.50%023%0.228CC..Hα-helixtrans-62.7-46.5174.6-1770000111L83 I87 L116 I137 A157 H159 L160 Q161 F166 L167L83-V163 HydrophobicContact CD1-CB 4.48Å; L83-V163 HydrophobicContact CD1-CG1 4.37Å; L83-V163 HydrophobicContact CD1-CG2 4.18Å; I87-V163 HydrophobicContact CD1-CG1 3.99Å; I87-V163 HydrophobicContact CG1-CG1 4.27Å; L116-V163 HydrophobicContact CD2-CG2 4.21Å; I137-V163 HydrophobicContact CD1-CG1 4.21Å; I137-V163 HydrophobicContact CG2-CG2 4.16Å; A157-V163 HydrophobicContact CB-CG2 3.43Å; A157-V163 VanDerWaalsContact CB-CG2 3.43Å; H159-V163 PolarHBondContact O-N 3.46Å; L160-V163 PolarHBondContact O-N 3.47Å; Q161-V163 VanDerWaalsContact C-N 3.34Å; V163-F166 WeakPolarHBondContact O-CB 3.42Å; V163-F166 PolarHBondContact O-N 3.16Å; V163-L167 HydrophobicContact CG1-CD1 4.03Å; V163-L167 HydrophobicContact CG1-CG 4.46Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 2.83Å
164C97Very high95.9Very high0 Ų044.2 Ų44.20%025%0.247CC..Hα-helixtrans-62.9-47.9178.7-650000111.8Y58 I87 L90 L96 L160 Q161 F166 L167 E168Y58-C164 HydrophobicContact CE2-CB 4.29Å; Y58-C164 WeakPolarHBondContact OH-CB 3.45Å; I87-C164 VanDerWaalsContact CD1-SG 3.58Å; L90-C164 VanDerWaalsContact CD1-SG 3.57Å; L96-C164 HydrophobicContact CD1-CB 3.85Å; L160-C164 PolarHBondContact O-N 2.89Å; L160-C164 PolarHBondContact O-SG 3.25Å; Q161-C164 PolarHBondContact O-N 3.41Å; C164-F166 PolarHBondContact O-N 3.49Å; C164-L167 PolarHBondContact O-N 2.86Å; C164-L167 VanDerWaalsContact O-N 3.17Å; C164-E168 WeakPolarHBondContact O-CG 3.49Å; C164-E168 PolarHBondContact O-N 2.87Å
165A95.7Very high95.8Very high23 Ų2351.5 Ų51.519%0.1927%0.274CS..Hα-helixtrans-60.5-35.7177.600000112.1Q161 G169 K170 H171Q161-A165 VanDerWaalsContact O-CB 3.3Å; Q161-A165 WeakPolarHBondContact O-CB 3.33Å; Q161-A165 PolarHBondContact O-N 2.76Å; A165-G169 PolarHBondContact O-N 3.21Å; A165-K170 HydrophobicContact CB-CB 4.42Å; A165-K170 WeakPolarHBondContact O-CA 3.45Å; A165-K170 WeakPolarHBondContact O-CB 3.41Å; A165-K170 PolarHBondContact O-N 3.27Å; A165-H171 HydrophobicContact CB-CB 3.68Å; A165-H171 PolarHBondContact O-N 2.71Å; A165-H171 VanDerWaalsContact O-N 3.17Å
166F96.6Very high95.6Very high35 Ų3551.4 Ų51.415%0.15427%0.274CS..Hα-helixtrans-65.4-47.7173.2169.2-103000113Y104 I137 L155 A162 V163 C164 E168 G169 H171 L173Y104-F166 HydrophobicContact CD1-CE1 4.23Å; Y104-F166 AromaticContact CE1-CE1 3.6Å; Y104-F166 HydrophobicContact CE1-CE1 3.6Å; Y104-F166 AromaticContact CE1-CZ 3.71Å; Y104-F166 HydrophobicContact CE1-CZ 3.71Å; Y104-F166 HydrophobicContact CE2-CE1 4.31Å; Y104-F166 AromaticContact CZ-CE1 3.67Å; Y104-F166 AromaticContact CZ-CZ 3.7Å; Y104-F166 WeakPolarHBondContact OH-CZ 3.25Å; I137-F166 HydrophobicContact CD1-CD1 3.84Å; I137-F166 HydrophobicContact CD1-CE1 3.79Å; L155-F166 HydrophobicContact CD1-CE1 3.76Å; L155-F166 HydrophobicContact CD1-CE2 4.1Å; L155-F166 HydrophobicContact CD1-CZ 3.39Å; A162-F166 VanDerWaalsContact O-CB 3.32Å; A162-F166 WeakPolarHBondContact O-CB 3.4Å; A162-F166 PolarHBondContact O-N 3.42Å; V163-F166 WeakPolarHBondContact O-CB 3.42Å; V163-F166 PolarHBondContact O-N 3.16Å; C164-F166 PolarHBondContact O-N 3.49Å; F166-E168 PolarHBondContact O-N 2.82Å; F166-G169 PolarHBondContact O-N 3.18Å; F166-H171 WeakPolarHBondContact CA-O 3.24Å; F166-H171 WeakPolarHBondContact CD2-O 3.33Å; F166-L173 HydrophobicContact CB-CD1 4.01Å; F166-L173 HydrophobicContact CB-CD2 4.13Å; F166-L173 HydrophobicContact CB-CG 3.64Å; F166-L173 HydrophobicContact CD1-CD1 3.71Å; F166-L173 HydrophobicContact CD1-CG 4.1Å; F166-L173 HydrophobicContact CD2-CB 4.26Å; F166-L173 HydrophobicContact CD2-CD1 4.36Å; F166-L173 HydrophobicContact CD2-CG 3.87Å; F166-L173 HydrophobicContact CE1-CD1 4.29Å; F166-L173 HydrophobicContact CG-CB 4.43Å; F166-L173 HydrophobicContact CG-CD1 3.75Å; F166-L173 HydrophobicContact CG-CG 3.59Å
167L95.7Very high95.2Very high22 Ų2258.7 Ų58.712%0.11531%0.306CS..Hα-helixtrans-63.8-27.7179.7-69.4172.4000112.7I87 L96 A98 L101 Y104 V163 C164 G169I87-L167 HydrophobicContact CD1-CD1 4.07Å; I87-L167 HydrophobicContact CG1-CD1 4.38Å; I87-L167 HydrophobicContact CG2-CD1 3.78Å; L96-L167 HydrophobicContact CD1-CB 4.37Å; L96-L167 HydrophobicContact CD2-CB 4.47Å; L96-L167 HydrophobicContact CD2-CD1 3.89Å; A98-L167 HydrophobicContact CB-CB 4.11Å; L101-L167 HydrophobicContact CD1-CD1 4.09Å; L101-L167 HydrophobicContact CD1-CD2 4.24Å; Y104-L167 HydrophobicContact CD2-CD2 4.12Å; Y104-L167 HydrophobicContact CE2-CD2 4.42Å; V163-L167 HydrophobicContact CG1-CD1 4.03Å; V163-L167 HydrophobicContact CG1-CG 4.46Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 2.83Å; C164-L167 PolarHBondContact O-N 2.86Å; C164-L167 VanDerWaalsContact O-N 3.17Å; L167-G169 VanDerWaalsContact C-N 3.34Å
168E94.3Very high94.5Very high59 Ų5962.7 Ų62.728%0.27633%0.332SS..THydrogen-bonded Turntrans-84.1-2.9172.6-64.3-176.311400114.1L96 C164 F166 K170L96-E168 HydrophobicContact CD1-CG 3.64Å; C164-E168 WeakPolarHBondContact O-CG 3.49Å; C164-E168 PolarHBondContact O-N 2.87Å; F166-E168 PolarHBondContact O-N 2.82Å; E168-K170 VanDerWaalsContact C-N 3.31Å; E168-K170 HydrophobicContact CB-CD 4.13Å; E168-K170 HydrophobicContact CB-CG 4.13Å; E168-K170 PolarHBondContact O-N 3.18Å; E168-K170 IonicContact OE1-NZ 3.03Å; E168-K170 PolarHBondContact OE1-NZ 3.35Å; E168-K170 WeakPolarHBondContact OE2-CE 3.46Å; E168-K170 IonicContact OE2-NZ 2.71Å; E168-K170 PolarHBondContact OE2-NZ 3.45Å
169G92.9Very high93.4Very high68 Ų6859.3 Ų59.370%0.70131%0.314SS*.THydrogen-bonded Turntrans73.816.4-177.600000115A165 F166 L167A165-G169 PolarHBondContact O-N 3.21Å; F166-G169 PolarHBondContact O-N 3.18Å; L167-G169 VanDerWaalsContact C-N 3.34Å
170K93.1Very high91.9Very high147 Ų14764.4 Ų64.464%0.63934%0.343SS*.SBendtrans-90.1-16.7179.2-61.7173.5-172.3160.10113.1A165 E168A165-K170 HydrophobicContact CB-CB 4.42Å; A165-K170 WeakPolarHBondContact O-CA 3.45Å; A165-K170 WeakPolarHBondContact O-CB 3.41Å; A165-K170 PolarHBondContact O-N 3.27Å; E168-K170 VanDerWaalsContact C-N 3.31Å; E168-K170 HydrophobicContact CB-CD 4.13Å; E168-K170 HydrophobicContact CB-CG 4.13Å; E168-K170 PolarHBondContact O-N 3.18Å; E168-K170 IonicContact OE1-NZ 3.03Å; E168-K170 PolarHBondContact OE1-NZ 3.35Å; E168-K170 WeakPolarHBondContact OE2-CE 3.46Å; E168-K170 IonicContact OE2-NZ 2.71Å; E168-K170 PolarHBondContact OE2-NZ 3.45Å
171H92.5Very high90Very high101 Ų10167.1 Ų67.147%0.46837%0.365SS..SBendtrans-143157.5-178.4-175.363.1000110.6A165 F166A165-H171 HydrophobicContact CB-CB 3.68Å; A165-H171 PolarHBondContact O-N 2.71Å; A165-H171 VanDerWaalsContact O-N 3.17Å; F166-H171 WeakPolarHBondContact CA-O 3.24Å; F166-H171 WeakPolarHBondContact CD2-O 3.33Å
172A94.3Very high88.2Confident75 Ų7566 Ų6662%0.6237%0.365SS*.  trans-113.6124.7173.200000108.7
173L95.3Very high86.1Confident18 Ų1870.2 Ų70.29%0.09439%0.393CS..PPolyproline II helixtrans-73.4147.4174-65.9180000111.1I137 L155 A157 A162 F166I137-L173 HydrophobicContact CD1-CD1 3.88Å; I137-L173 HydrophobicContact CG1-CD1 4.33Å; I137-L173 HydrophobicContact CG2-CD1 3.74Å; L155-L173 HydrophobicContact CB-CB 4.13Å; L155-L173 HydrophobicContact CB-CD1 4.18Å; L155-L173 HydrophobicContact CD2-CB 4.39Å; A157-L173 HydrophobicContact CB-CD1 4.3Å; A157-L173 HydrophobicContact CB-CD2 3.94Å; A162-L173 HydrophobicContact CB-CD2 4.08Å; F166-L173 HydrophobicContact CB-CD1 4.01Å; F166-L173 HydrophobicContact CB-CD2 4.13Å; F166-L173 HydrophobicContact CB-CG 3.64Å; F166-L173 HydrophobicContact CD1-CD1 3.71Å; F166-L173 HydrophobicContact CD1-CG 4.1Å; F166-L173 HydrophobicContact CD2-CB 4.26Å; F166-L173 HydrophobicContact CD2-CD1 4.36Å; F166-L173 HydrophobicContact CD2-CG 3.87Å; F166-L173 HydrophobicContact CE1-CD1 4.29Å; F166-L173 HydrophobicContact CG-CB 4.43Å; F166-L173 HydrophobicContact CG-CD1 3.75Å; F166-L173 HydrophobicContact CG-CG 3.59Å
174E93.8Very high84.2Confident111 Ų11177.2 Ų77.252%0.51942%0.42SS..BIsolated β-bridgetrans-67.1151.1173.8-63.9-180160.100110.2K140 I156K140-E174 IonicContact NZ-OE2 2.69Å; K140-E174 PolarHBondContact NZ-OE2 2.6Å; I156-E174 HydrophobicContact CD1-CB 4.09Å; I156-E174 HydrophobicContact CG1-CB 3.82Å; I156-E174 WeakPolarHBondContact CG1-O 3.48Å; I156-E174 PolarHBondContact N-O 3.44Å
175R94Very high82.1Confident157 Ų15780.2 Ų80.259%0.59244%0.444SS*.PPolyproline II helixtrans-91.3144.8165.9-64.6-178.2-176.4-165.1-1.3107.9E152 L155E152-R175 IonicContact OE1-CZ 2.9Å; E152-R175 IonicContact OE1-NH1 3.71Å; E152-R175 PolarHBondContact OE1-NH1 3.16Å; E152-R175 IonicContact OE1-NH2 3.75Å; L155-R175 HydrophobicContact CD2-CG 4.3Å
176P92.6Very high80.1Confident16 Ų1687.5 Ų87.510%0.10448%0.479CS..PPolyproline II helixtrans-61.2141.5175.529-35.3000110.1E143 V146 C154 I156E143-P176 HydrophobicContact CG-CB 3.96Å; V146-P176 HydrophobicContact CG2-CB 3.79Å; V146-P176 HydrophobicContact CG2-CG 3.88Å; C154-P176 HydrophobicContact CB-CG 3.71Å; C154-P176 VanDerWaalsContact O-CD 3.25Å; C154-P176 WeakPolarHBondContact O-CD 3.39Å; I156-P176 HydrophobicContact CG2-CB 4.14Å
177K87.9Confident78.5Confident156 Ų15689.2 Ų89.268%0.67849%0.488SS*.PPolyproline II helixtrans-65.9130.1175.9-69.6169.5-171.91680109.7E143 G147 T179E143-K177 WeakPolarHBondContact OE1-CG 3.41Å; E143-K177 PolarHBondContact OE1-N 2.82Å; G147-K177 WeakPolarHBondContact CA-O 3.32Å; K177-T179 PolarHBondContact O-N 2.98Å
178P82.6Confident77.6Confident89 Ų8993 Ų9358%0.57851%0.505SS*.PPolyproline II helixtrans-57.7131.5171.4-2232.5000109.8D180P178-D180 PolarHBondContact O-N 2.95Å
179T74.8Confident77.1Confident21 Ų2194.7 Ų94.713%0.12952%0.515CS..  trans-75.3109173.3-56.90000108.6G147 L148 K177 A181 Q258G147-T179 PolarHBondContact O-N 3.01Å; L148-T179 HydrophobicContact CD2-CG2 3.87Å; L148-T179 WeakPolarHBondContact CD2-OG1 3.47Å; K177-T179 PolarHBondContact O-N 2.98Å; T179-A181 PolarHBondContact O-N 2.81Å; T179-Q258 HydrophobicContact CG2-CG 4.31Å
180D66.5Low76.7Confident144 Ų14492.1 Ų92.177%0.7749%0.486SS*.  trans-61.2134.2168.8-75.6-32.4000109.1P178 V182P178-D180 PolarHBondContact O-N 2.95Å; D180-V182 PolarHBondContact O-N 3.06Å
181A58.1Low76.3Confident57 Ų5789.3 Ų89.347%0.47149%0.485SS..  trans-52.9116-179.300000109.7T179 S183T179-A181 PolarHBondContact O-N 2.81Å; A181-S183 PolarHBondContact O-N 3.23Å
182V59.8Low76Confident72 Ų7288.7 Ų88.744%0.43648%0.484SS..  trans-59.1113.8170.1-179.30000106D180 R184D180-V182 PolarHBondContact O-N 3.06Å; V182-R184 PolarHBondContact O-N 2.78Å
183S53.5Low75.5Confident104 Ų10485.4 Ų85.473%0.72746%0.457SS*.  trans-42.8128.7175.8176.30000108.7A181 A185A181-S183 PolarHBondContact O-N 3.23Å; S183-A185 PolarHBondContact O-N 3.07Å
184R57.1Low75Confident147 Ų14792.5 Ų92.556%0.55549%0.493SS*.  trans-37.6107.3173.5-79.4175.1170.2-172.4-10.2107.5V182 L186 D236V182-R184 PolarHBondContact O-N 2.78Å; R184-L186 PolarHBondContact O-N 2.67Å; R184-D236 IonicContact CZ-OD1 3.27Å; R184-D236 IonicContact CZ-OD2 3.99Å; R184-D236 IonicContact NE-OD1 2.8Å; R184-D236 PolarHBondContact NE-OD1 2.74Å; R184-D236 IonicContact NE-OD2 2.91Å; R184-D236 PolarHBondContact NE-OD2 3.27Å; R184-D236 IonicContact NH2-OD1 3.24Å; R184-D236 PolarHBondContact NH2-OD1 2.73Å; R184-D236 IonicContact NH2-OD2 3.27Å; R184-D236 PolarHBondContact NH2-OD2 3.24Å
185A53.7Low74.6Confident62 Ų6288.9 Ų88.951%0.51249%0.486SS..  trans-57.1116.6156.300000102.7S183 Q187S183-A185 PolarHBondContact O-N 3.07Å; A185-Q187 WeakPolarHBondContact O-CG 3.41Å; A185-Q187 PolarHBondContact O-N 2.99Å
186L53.3Low74.3Confident177 Ų17782.6 Ų82.693%0.92746%0.463SS*.  trans-52.692.6-179.9-80.9148.4000107.6R184 H188R184-L186 PolarHBondContact O-N 2.67Å; L186-H188 PolarHBondContact O-N 2.94Å
187Q63.2Low74.1Confident71 Ų7187.8 Ų87.833%0.33249%0.486SS..  trans-79.2118.8-178.9-77.8-1769.300105.3A185 N231A185-Q187 WeakPolarHBondContact O-CG 3.41Å; A185-Q187 PolarHBondContact O-N 2.99Å; Q187-N231 PolarHBondContact OE1-ND2 3.27Å
188H75.4Confident74.2Confident102 Ų10285.8 Ų85.847%0.47248%0.479SS..  trans4.5121.2176.4-48.899.4000116.9L186 R229L186-H188 PolarHBondContact O-N 2.94Å; H188-R229 VanDerWaalsContact CB-CD 3.42Å; H188-R229 HydrophobicContact CB-CG 3.89Å; H188-R229 WeakPolarHBondContact O-CG 3.11Å
189D83.8Confident74.7Confident93 Ų9381.5 Ų81.550%0.49745%0.451SS..  trans-90.7150.1-179.6-164.5-52.3000110.7S191 D192 R229D189-S191 WeakPolarHBondContact CB-OG 3.34Å; D189-S191 PolarHBondContact O-N 3.01Å; D189-S191 WeakPolarHBondContact OD1-CB 3.48Å; D189-S191 PolarHBondContact OD1-N 3.24Å; D189-S191 PolarHBondContact OD1-OG 3.43Å; D189-D192 PolarHBondContact N-OD2 3.3Å; D189-D192 WeakPolarHBondContact O-CB 3.17Å; D189-D192 PolarHBondContact O-N 3.08Å; D189-R229 VanDerWaalsContact O-CG 3.28Å; D189-R229 WeakPolarHBondContact O-CG 3.33Å
190L85.1Confident75.5Confident15 Ų1582.1 Ų82.18%0.07945%0.452CS..G310 helixtrans-62.7-27.3171.1-83-173.5000112.5D192 V193 K200 L203 E204 R229 L233L190-D192 PolarHBondContact O-N 2.99Å; L190-V193 WeakPolarHBondContact O-CB 3.45Å; L190-V193 PolarHBondContact O-N 3.35Å; L190-K200 HydrophobicContact CD2-CG 4.48Å; L190-L203 HydrophobicContact CD2-CD1 3.63Å; L190-E204 HydrophobicContact CD1-CG 4.1Å; L190-R229 HydrophobicContact CD2-CB 3.78Å; L190-R229 HydrophobicContact CD2-CG 4.37Å; L190-R229 HydrophobicContact CG-CB 4.34Å; L190-L233 HydrophobicContact CD1-CD1 3.57Å; L190-L233 HydrophobicContact CD1-CD2 3.68Å; L190-L233 HydrophobicContact CD1-CG 4.14Å; L190-L233 HydrophobicContact CD2-CD1 4.47Å; L190-L233 HydrophobicContact CG-CD1 4Å; L190-L233 HydrophobicContact CG-CD2 3.98Å; L190-L233 HydrophobicContact CG-CG 4.31Å
191S85.5Confident76.8Confident88 Ų8882.2 Ų82.262%0.61544%0.442SS*.G310 helixtrans-62.4-21176.8570000113.2D189 V193D189-S191 WeakPolarHBondContact CB-OG 3.34Å; D189-S191 PolarHBondContact O-N 3.01Å; D189-S191 WeakPolarHBondContact OD1-CB 3.48Å; D189-S191 PolarHBondContact OD1-N 3.24Å; D189-S191 PolarHBondContact OD1-OG 3.43Å; S191-V193 PolarHBondContact O-N 3.32Å
192D84.9Confident78.5Confident87 Ų8779.8 Ų79.847%0.46542%0.422SS..G310 helixtrans-70.8-16.6173.6-61.5-33.2000112.9D189 L190D189-D192 PolarHBondContact N-OD2 3.3Å; D189-D192 WeakPolarHBondContact O-CB 3.17Å; D189-D192 PolarHBondContact O-N 3.08Å; L190-D192 PolarHBondContact O-N 2.99Å
193V85.5Confident80.1Confident7 Ų776.3 Ų76.34%0.04240%0.401CS..SBendtrans-88.4115-179-176.40000109.6L190 S191 K200 M225 L226L190-V193 WeakPolarHBondContact O-CB 3.45Å; L190-V193 PolarHBondContact O-N 3.35Å; S191-V193 PolarHBondContact O-N 3.32Å; V193-K200 WeakPolarHBondContact O-CE 3.36Å; V193-K200 PolarHBondContact O-NZ 3.06Å; V193-M225 HydrophobicContact CG2-CG 4.35Å; V193-L226 HydrophobicContact CB-CD2 4.5Å; V193-L226 HydrophobicContact CG1-CD2 3.9Å; V193-L226 HydrophobicContact CG1-CG 4.38Å; V193-L226 HydrophobicContact CG2-CD2 4.31Å
194I83Confident82.1Confident167 Ų16775.3 Ų75.386%0.85639%0.385SS*.  trans-81.4123.3177.4-58.1173.8000109.3
195G85.7Confident83.9Confident35 Ų3571.7 Ų71.736%0.36138%0.376SS..SBendtrans71.7-150.4-177.400000113.5E197 K200G195-E197 VanDerWaalsContact C-N 3.35Å; G195-E197 PolarHBondContact O-N 2.99Å; G195-K200 WeakPolarHBondContact O-CE 3.17Å; G195-K200 PolarHBondContact O-NZ 2.88Å; G195-K200 VanDerWaalsContact O-NZ 3.14Å
196Q87.7Confident85.9Confident25 Ų2568.8 Ų68.812%0.11735%0.351CS..  trans53.343.5-179.2-57.2-64.9300114.5Q198 G199 K200 T221 L226 I385 P386Q196-Q198 PolarHBondContact O-N 3.05Å; Q196-Q198 VanDerWaalsContact O-N 3.16Å; Q196-G199 WeakPolarHBondContact O-CA 3.41Å; Q196-G199 PolarHBondContact O-N 3.07Å; Q196-K200 PolarHBondContact O-N 3.14Å; Q196-T221 PolarHBondContact NE2-O 3.35Å; Q196-T221 VanDerWaalsContact NE2-O 3.14Å; Q196-L226 HydrophobicContact CB-CD1 4.23Å; Q196-L226 HydrophobicContact CG-CD1 4.49Å; Q196-I385 HydrophobicContact CG-CG2 4.33Å; Q196-P386 PolarHBondContact NE2-O 3.15Å
197E89.6Confident87.8Confident125 Ų12560.9 Ų60.958%0.58431%0.312SS*.Hα-helixtrans-55.2-36.4-177.3-61.6-53.4127.100113.2G195 K200 R201G195-E197 VanDerWaalsContact C-N 3.35Å; G195-E197 PolarHBondContact O-N 2.99Å; E197-K200 PolarHBondContact O-N 3.18Å; E197-K200 IonicContact OE1-NZ 2.94Å; E197-K200 PolarHBondContact OE1-NZ 3.46Å; E197-R201 VanDerWaalsContact O-CB 3.28Å; E197-R201 WeakPolarHBondContact O-CB 3.32Å; E197-R201 PolarHBondContact O-N 2.78Å
198Q90.1Very high89.3Confident113 Ų11362 Ų6253%0.52833%0.334SS..Hα-helixtrans-64.7-40.4173.3-175.7177.3-3.600112.3Q196 G202Q196-Q198 PolarHBondContact O-N 3.05Å; Q196-Q198 VanDerWaalsContact O-N 3.16Å; Q198-G202 PolarHBondContact O-N 3.44Å
199G91.6Very high90.1Very high0 Ų059.2 Ų59.20%033%0.332CS..Hα-helixtrans-66.4-44.4176.400000112.1Q196 G202 L203Q196-G199 WeakPolarHBondContact O-CA 3.41Å; Q196-G199 PolarHBondContact O-N 3.07Å; G199-G202 PolarHBondContact O-N 2.87Å; G199-L203 WeakPolarHBondContact O-CG 3.1Å; G199-L203 PolarHBondContact O-N 3.29Å
200K93.5Very high90.5Very high33 Ų3357.1 Ų57.114%0.14333%0.333CS..Hα-helixtrans-59.9-51.3174.9-67.2176.3179.9164.30111.5L190 V193 G195 Q196 E197 G202 L203 E204 L226L190-K200 HydrophobicContact CD2-CG 4.48Å; V193-K200 WeakPolarHBondContact O-CE 3.36Å; V193-K200 PolarHBondContact O-NZ 3.06Å; G195-K200 WeakPolarHBondContact O-CE 3.17Å; G195-K200 PolarHBondContact O-NZ 2.88Å; G195-K200 VanDerWaalsContact O-NZ 3.14Å; Q196-K200 PolarHBondContact O-N 3.14Å; E197-K200 PolarHBondContact O-N 3.18Å; E197-K200 IonicContact OE1-NZ 2.94Å; E197-K200 PolarHBondContact OE1-NZ 3.46Å; K200-G202 VanDerWaalsContact C-N 3.25Å; K200-G202 PolarHBondContact O-N 3.29Å; K200-L203 WeakPolarHBondContact O-CB 2.98Å; K200-L203 PolarHBondContact O-N 3.4Å; K200-L203 VanDerWaalsContact O-N 3.1Å; K200-E204 PolarHBondContact O-N 2.66Å; K200-L226 HydrophobicContact CG-CD2 4.28Å
201R93.1Very high91Very high147 Ų14759.5 Ų59.556%0.55534%0.343SS*.Hα-helixtrans-60.8-38.7178.4-177.655176.8174.42.6111.8E197 E204 I205E197-R201 VanDerWaalsContact O-CB 3.28Å; E197-R201 WeakPolarHBondContact O-CB 3.32Å; E197-R201 PolarHBondContact O-N 2.78Å; R201-E204 WeakPolarHBondContact CD-OE2 3.34Å; R201-E204 IonicContact CZ-OE2 3.69Å; R201-E204 IonicContact NE-OE2 2.99Å; R201-E204 IonicContact NH1-OE2 3.71Å; R201-E204 PolarHBondContact NH1-OE2 3.28Å; R201-E204 PolarHBondContact O-N 3.29Å; R201-I205 HydrophobicContact CG-CD1 4.15Å; R201-I205 WeakPolarHBondContact O-CG1 3.44Å; R201-I205 PolarHBondContact O-N 3.38Å; R201-I205 VanDerWaalsContact O-N 3.09Å
202G93.8Very high91.6Very high5 Ų556.1 Ų56.15%0.05232%0.318CS..Hα-helixtrans-53.3-53.2171.300000112.5Q198 G199 K200 E204 I205 T206Q198-G202 PolarHBondContact O-N 3.44Å; G199-G202 PolarHBondContact O-N 2.87Å; K200-G202 VanDerWaalsContact C-N 3.25Å; K200-G202 PolarHBondContact O-N 3.29Å; G202-E204 VanDerWaalsContact C-N 3.35Å; G202-E204 PolarHBondContact O-N 3.22Å; G202-I205 PolarHBondContact O-N 3.47Å; G202-T206 WeakPolarHBondContact O-CB 3.41Å; G202-T206 PolarHBondContact O-N 2.73Å; G202-T206 PolarHBondContact O-OG1 3Å
203L94.3Very high92.2Very high0 Ų052 Ų520%030%0.296CS..Hα-helixtrans-61.8-38.6178.7-71.2169.8000113.3L190 G199 K200 T206 A207 L213 L226 I230 L233L190-L203 HydrophobicContact CD2-CD1 3.63Å; G199-L203 WeakPolarHBondContact O-CG 3.1Å; G199-L203 PolarHBondContact O-N 3.29Å; K200-L203 WeakPolarHBondContact O-CB 2.98Å; K200-L203 PolarHBondContact O-N 3.4Å; K200-L203 VanDerWaalsContact O-N 3.1Å; L203-T206 PolarHBondContact O-N 3.01Å; L203-A207 VanDerWaalsContact O-CB 3.31Å; L203-A207 WeakPolarHBondContact O-CB 3.41Å; L203-A207 PolarHBondContact O-N 3.34Å; L203-L213 HydrophobicContact CD2-CD2 3.62Å; L203-L213 HydrophobicContact CG-CD2 4.43Å; L203-L226 HydrophobicContact CD1-CB 3.84Å; L203-L226 HydrophobicContact CD1-CD2 3.81Å; L203-L226 HydrophobicContact CD1-CG 4.44Å; L203-L226 WeakPolarHBondContact CD1-O 3.48Å; L203-I230 HydrophobicContact CD2-CB 4.27Å; L203-L233 HydrophobicContact CB-CD1 3.97Å
204E94.5Very high92.7Very high82 Ų8251.9 Ų51.938%0.38330%0.295SS..Hα-helixtrans-59.7-46.5174.5-67.7176.1161.100111.4L190 K200 R201 G202 A207 A208L190-E204 HydrophobicContact CD1-CG 4.1Å; K200-E204 PolarHBondContact O-N 2.66Å; R201-E204 WeakPolarHBondContact CD-OE2 3.34Å; R201-E204 IonicContact CZ-OE2 3.69Å; R201-E204 IonicContact NE-OE2 2.99Å; R201-E204 IonicContact NH1-OE2 3.71Å; R201-E204 PolarHBondContact NH1-OE2 3.28Å; R201-E204 PolarHBondContact O-N 3.29Å; G202-E204 VanDerWaalsContact C-N 3.35Å; G202-E204 PolarHBondContact O-N 3.22Å; E204-A207 PolarHBondContact O-N 3.38Å; E204-A208 VanDerWaalsContact O-CB 3.26Å; E204-A208 WeakPolarHBondContact O-CB 3.25Å; E204-A208 PolarHBondContact O-N 2.87Å
205I95.4Very high93.3Very high72 Ų7243.9 Ų43.937%0.36925%0.254SS..Hα-helixtrans-65.2-43.5177.9-64.4167.2000109.9R201 G202 A207 A208 G209 L381R201-I205 HydrophobicContact CG-CD1 4.15Å; R201-I205 WeakPolarHBondContact O-CG1 3.44Å; R201-I205 PolarHBondContact O-N 3.38Å; R201-I205 VanDerWaalsContact O-N 3.09Å; G202-I205 PolarHBondContact O-N 3.47Å; I205-A207 PolarHBondContact O-N 2.95Å; I205-A208 PolarHBondContact O-N 2.74Å; I205-G209 PolarHBondContact O-N 3.01Å; I205-L381 HydrophobicContact CB-CD1 4.49Å; I205-L381 HydrophobicContact CG2-CD1 3.93Å
206T95Very high93.7Very high0 Ų043.7 Ų43.70%024%0.244CC..Hα-helixtrans-57.8-48.7176.6-62.70000111.5G202 L203 G210 H211 L213 I230 Q339G202-T206 WeakPolarHBondContact O-CB 3.41Å; G202-T206 PolarHBondContact O-N 2.73Å; G202-T206 PolarHBondContact O-OG1 3Å; L203-T206 PolarHBondContact O-N 3.01Å; T206-G210 WeakPolarHBondContact O-CA 3.48Å; T206-G210 PolarHBondContact O-N 3.19Å; T206-H211 WeakPolarHBondContact CG2-O 3.5Å; T206-H211 PolarHBondContact O-N 3.45Å; T206-H211 VanDerWaalsContact O-N 3.14Å; T206-L213 HydrophobicContact CG2-CB 3.66Å; T206-L213 HydrophobicContact CG2-CD2 4.13Å; T206-L213 HydrophobicContact CG2-CG 4.48Å; T206-I230 HydrophobicContact CG2-CD1 3.66Å; T206-Q339 PolarHBondContact O-NE2 3.23Å
207A93.8Very high93.9Very high11 Ų1142.5 Ų42.59%0.09124%0.239CC..Hα-helixtrans-66.9-42.4179.300000112.1L203 E204 I205 I230 L233 L234L203-A207 VanDerWaalsContact O-CB 3.31Å; L203-A207 WeakPolarHBondContact O-CB 3.41Å; L203-A207 PolarHBondContact O-N 3.34Å; E204-A207 PolarHBondContact O-N 3.38Å; I205-A207 PolarHBondContact O-N 2.95Å; A207-I230 HydrophobicContact CB-CG1 4.24Å; A207-L233 HydrophobicContact CB-CB 3.6Å; A207-L233 HydrophobicContact CB-CD1 4.23Å; A207-L234 HydrophobicContact CB-CD2 3.97Å; A207-L234 HydrophobicContact CB-CG 4.43Å
208A93.7Very high93.9Very high96 Ų9637.2 Ų37.279%0.79322%0.216SC*.Hα-helixtrans-68.1-36.2-179.500000113.2E204 I205E204-A208 VanDerWaalsContact O-CB 3.26Å; E204-A208 WeakPolarHBondContact O-CB 3.25Å; E204-A208 PolarHBondContact O-N 2.87Å; I205-A208 PolarHBondContact O-N 2.74Å
209G92.9Very high93.6Very high43 Ų4335 Ų3544%0.44321%0.211SC..Hα-helixtrans-94-9.8-177.800000115.3I205 H211I205-G209 PolarHBondContact O-N 3.01Å; G209-H211 PolarHBondContact O-N 2.8Å
210G92.9Very high93.2Very high49 Ų4938.7 Ų38.751%0.50525%0.249SC..THydrogen-bonded Turntrans65.825.9-171.600000113.1T206 Q339T206-G210 WeakPolarHBondContact O-CA 3.48Å; T206-G210 PolarHBondContact O-N 3.19Å; G210-Q339 VanDerWaalsContact C-NE2 3.26Å
211H95.8Very high92.7Very high65 Ų6537.4 Ų37.430%0.30124%0.244SC..  trans-75.8150.9-174.7-67-48.7000112.7T206 G209 Q339 D380 L381T206-H211 WeakPolarHBondContact CG2-O 3.5Å; T206-H211 PolarHBondContact O-N 3.45Å; T206-H211 VanDerWaalsContact O-N 3.14Å; G209-H211 PolarHBondContact O-N 2.8Å; H211-Q339 WeakPolarHBondContact O-CG 2.94Å; H211-Q339 PolarHBondContact O-NE2 2.87Å; H211-D380 VanDerWaalsContact CA-OD2 3.29Å; H211-D380 WeakPolarHBondContact CA-OD2 3.47Å; H211-D380 HydrophobicContact CB-CB 3.92Å; H211-D380 IonicContact ND1-OD2 2.71Å; H211-L381 HydrophobicContact CB-CD1 4.08Å; H211-L381 HydrophobicContact CB-CG 4.36Å
212N96.8Very high92.5Very high17 Ų1731.6 Ų31.69%0.09123%0.229CC..  trans-81134167.5-65.8-32.3000110.1I318 L340 R378 F379 D380 L381N212-I318 WeakPolarHBondContact ND2-CG2 3.41Å; N212-L340 CarbonylContact C-O 3.55Å; N212-L340 VanDerWaalsContact CA-O 3.25Å; N212-L340 WeakPolarHBondContact CA-O 3.33Å; N212-L340 HydrophobicContact CB-CB 4.22Å; N212-L340 WeakPolarHBondContact OD1-CB 3.46Å; N212-L340 PolarHBondContact OD1-N 3.37Å; N212-R378 WeakPolarHBondContact CB-O 3.42Å; N212-R378 PolarHBondContact ND2-O 3.3Å; N212-F379 HydrophobicContact CB-CD1 4.19Å; N212-D380 PolarHBondContact N-OD2 3.27Å; N212-D380 PolarHBondContact O-N 2.75Å; N212-L381 PolarHBondContact O-N 2.97Å; N212-L381 VanDerWaalsContact O-N 3.08Å
213L97.1Very high92.4Very high0 Ų032 Ų320%023%0.23CC..EExtended strand (participates in β ladder)trans-121.9130.1-171.4175.165.5000112.5L203 T206 L215 L340 V341 A342 F379 L381 L383L203-L213 HydrophobicContact CD2-CD2 3.62Å; L203-L213 HydrophobicContact CG-CD2 4.43Å; T206-L213 HydrophobicContact CG2-CB 3.66Å; T206-L213 HydrophobicContact CG2-CD2 4.13Å; T206-L213 HydrophobicContact CG2-CG 4.48Å; L213-L215 HydrophobicContact CD1-CD2 4.22Å; L213-L215 HydrophobicContact CD2-CD2 3.92Å; L213-L215 HydrophobicContact CD2-CG 4.18Å; L213-L215 HydrophobicContact CG-CD2 4.12Å; L213-L215 HydrophobicContact CG-CG 4.25Å; L213-L340 PolarHBondContact N-O 2.85Å; L213-V341 HydrophobicContact CB-CG1 4.49Å; L213-V341 HydrophobicContact CD2-CG1 4.4Å; L213-V341 CarbonylContact O-C 3.59Å; L213-V341 WeakPolarHBondContact O-CA 3.49Å; L213-A342 PolarHBondContact O-N 3.49Å; L213-F379 VanDerWaalsContact C-CD1 3.42Å; L213-F379 WeakPolarHBondContact O-CE1 3.25Å; L213-L381 WeakPolarHBondContact CA-O 3.46Å; L213-L381 HydrophobicContact CD1-CB 3.88Å; L213-L383 HydrophobicContact CD1-CB 4.49Å; L213-L383 HydrophobicContact CD1-CD1 3.68Å; L213-L383 HydrophobicContact CD1-CG 3.88Å
214L97Very high92.2Very high4 Ų435.2 Ų35.22%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-110.9119.5169.2-178.362.4000110.8I216 L303 A342 M344 L376 F379 L381 S382 L383L214-I216 HydrophobicContact CD2-CD1 4.06Å; L214-I216 HydrophobicContact CD2-CG1 4.18Å; L214-I216 HydrophobicContact CG-CD1 4.37Å; L214-I216 HydrophobicContact CG-CG1 3.98Å; L214-L303 HydrophobicContact CD1-CD2 3.77Å; L214-A342 HydrophobicContact CD1-CB 3.86Å; L214-M344 HydrophobicContact CD1-CG 3.99Å; L214-M344 HydrophobicContact CD1-SD 4.03Å; L214-M344 HydrophobicContact CD2-SD 4.13Å; L214-M344 HydrophobicContact CG-SD 4.47Å; L214-L376 HydrophobicContact CD2-CD2 4.02Å; L214-F379 HydrophobicContact CB-CB 4.23Å; L214-F379 HydrophobicContact CB-CD1 3.75Å; L214-F379 HydrophobicContact CB-CD2 4.28Å; L214-F379 HydrophobicContact CB-CE1 4.1Å; L214-F379 HydrophobicContact CB-CG 3.83Å; L214-F379 HydrophobicContact CD1-CZ 4.33Å; L214-F379 HydrophobicContact CD2-CD2 4.46Å; L214-L381 PolarHBondContact N-O 3.36Å; L214-S382 CarbonylContact O-C 3.59Å; L214-S382 WeakPolarHBondContact O-CA 3.36Å; L214-L383 PolarHBondContact O-N 2.88Å
215L95.7Very high92Very high0 Ų035.3 Ų35.30%025%0.251CS..EExtended strand (participates in β ladder)trans-98.1118174.3-61.5176.1000110.1L213 K223 L226 A227 A342 A343 M344 L383 I385L213-L215 HydrophobicContact CD1-CD2 4.22Å; L213-L215 HydrophobicContact CD2-CD2 3.92Å; L213-L215 HydrophobicContact CD2-CG 4.18Å; L213-L215 HydrophobicContact CG-CD2 4.12Å; L213-L215 HydrophobicContact CG-CG 4.25Å; L215-K223 HydrophobicContact CB-CB 4.4Å; L215-K223 HydrophobicContact CB-CD 4.48Å; L215-K223 HydrophobicContact CB-CG 4.49Å; L215-K223 HydrophobicContact CD1-CB 4.4Å; L215-L226 HydrophobicContact CD1-CB 4.32Å; L215-A227 HydrophobicContact CD1-CB 4.26Å; L215-A342 PolarHBondContact N-O 3.28Å; L215-A343 HydrophobicContact CB-CB 4.33Å; L215-A343 CarbonylContact O-C 3.56Å; L215-A343 VanDerWaalsContact O-CA 3.32Å; L215-A343 WeakPolarHBondContact O-CA 3.41Å; L215-M344 PolarHBondContact O-N 2.71Å; L215-L383 HydrophobicContact CD2-CB 4.23Å; L215-I385 HydrophobicContact CB-CG1 4.42Å; L215-I385 HydrophobicContact CD2-CD1 3.97Å; L215-I385 HydrophobicContact CD2-CG1 4.01Å
216I94.3Very high91.8Very high30 Ų3031.9 Ų31.915%0.15423%0.233CC..EExtended strand (participates in β ladder)trans-113.3126.5179.1-52.5175.6000108.4L214 M344 P346 Y352 L383 E384 I385L214-I216 HydrophobicContact CD2-CD1 4.06Å; L214-I216 HydrophobicContact CD2-CG1 4.18Å; L214-I216 HydrophobicContact CG-CD1 4.37Å; L214-I216 HydrophobicContact CG-CG1 3.98Å; I216-M344 HydrophobicContact CB-CG 4.5Å; I216-M344 HydrophobicContact CG1-CG 3.93Å; I216-M344 HydrophobicContact CG1-SD 4.34Å; I216-M344 HydrophobicContact CG2-CG 4.48Å; I216-P346 HydrophobicContact CG2-CB 4.15Å; I216-P346 HydrophobicContact CG2-CG 4.44Å; I216-Y352 HydrophobicContact CG2-CE2 4.21Å; I216-L383 PolarHBondContact N-O 2.97Å; I216-E384 CarbonylContact O-C 3.48Å; I216-E384 VanDerWaalsContact O-CA 3.26Å; I216-E384 WeakPolarHBondContact O-CA 3.31Å; I216-I385 PolarHBondContact O-N 3.22Å
217G91.6Very high91.7Very high0 Ų031.9 Ų31.90%023%0.233CC..  trans178.4164.4174.900000113.3K223 M344 N345 P346G217-K223 PolarHBondContact O-NZ 2.98Å; G217-M344 PolarHBondContact N-O 2.89Å; G217-M344 VanDerWaalsContact N-O 3.15Å; G217-N345 PolarHBondContact O-OD1 2.88Å; G217-P346 WeakPolarHBondContact O-CD 3.3Å
218P88.3Confident91.6Very high15 Ų1532.7 Ų32.710%0.09724%0.239CC..  trans-55.8162.4177.7-27.935.6000114.7T221 K223 P346 G350 L387P218-T221 HydrophobicContact CB-CG2 4.08Å; P218-T221 HydrophobicContact CG-CG2 4.42Å; P218-T221 VanDerWaalsContact O-CG2 3.31Å; P218-T221 WeakPolarHBondContact O-CG2 3.38Å; P218-T221 PolarHBondContact O-OG1 3.27Å; P218-K223 PolarHBondContact O-NZ 3.37Å; P218-P346 HydrophobicContact CG-CG 4.5Å; P218-G350 WeakPolarHBondContact CA-O 3.21Å; P218-G350 WeakPolarHBondContact CB-O 3.48Å; P218-L387 HydrophobicContact CB-CD2 4.13Å; P218-L387 HydrophobicContact CB-CG 4.21Å; P218-L387 HydrophobicContact CG-CD1 4.43Å; P218-L387 HydrophobicContact CG-CG 4.17Å
219P84.9Confident91.5Very high67 Ų6729.2 Ų29.244%0.43521%0.205SC..THydrogen-bonded Turntrans-59.1146.5169.625.7-34.4000110.8T221P219-T221 VanDerWaalsContact C-N 3.32Å; P219-T221 PolarHBondContact O-N 2.88Å
220G83.1Confident91.4Very high77 Ų7727.2 Ų27.279%0.79418%0.184SC*.THydrogen-bonded Turntrans80.40.6178.400000116G222G220-G222 PolarHBondContact O-N 3.19Å
221T83.9Confident91.3Very high6 Ų625.6 Ų25.64%0.03716%0.164CC..SBendtrans-76.5-6.2177.559.60000114.6Q196 P218 P219 K223 P386 L387Q196-T221 PolarHBondContact NE2-O 3.35Å; Q196-T221 VanDerWaalsContact NE2-O 3.14Å; P218-T221 HydrophobicContact CB-CG2 4.08Å; P218-T221 HydrophobicContact CG-CG2 4.42Å; P218-T221 VanDerWaalsContact O-CG2 3.31Å; P218-T221 WeakPolarHBondContact O-CG2 3.38Å; P218-T221 PolarHBondContact O-OG1 3.27Å; P219-T221 VanDerWaalsContact C-N 3.32Å; P219-T221 PolarHBondContact O-N 2.88Å; T221-K223 WeakPolarHBondContact OG1-CG 3.36Å; T221-P386 WeakPolarHBondContact CG2-O 3.46Å; T221-L387 HydrophobicContact CG2-CD2 3.84Å; T221-L387 HydrophobicContact CG2-CG 4.21Å
222G87.5Confident90.9Very high24 Ų2424.5 Ų24.525%0.24717%0.17CC..  trans87.622.2179.600000114.9G220 T224 M225 L226G220-G222 PolarHBondContact O-N 3.19Å; G222-T224 PolarHBondContact O-N 2.98Å; G222-M225 CarbonylContact O-C 3.55Å; G222-M225 WeakPolarHBondContact O-CA 3.49Å; G222-M225 VanDerWaalsContact O-CB 3.29Å; G222-M225 WeakPolarHBondContact O-CB 3.32Å; G222-M225 PolarHBondContact O-N 2.82Å; G222-M225 VanDerWaalsContact O-N 3.09Å; G222-L226 WeakPolarHBondContact O-CB 3.39Å; G222-L226 WeakPolarHBondContact O-CG 3.28Å; G222-L226 PolarHBondContact O-N 2.88Å
223K91.6Very high90.6Very high14 Ų1426.8 Ų26.86%0.06118%0.182CC..Hα-helixtrans-54.2-52.7179.9-55.2-175-66.4-82.20113.4L215 G217 P218 T221 M225 L226 A227 A343 M344 N345L215-K223 HydrophobicContact CB-CB 4.4Å; L215-K223 HydrophobicContact CB-CD 4.48Å; L215-K223 HydrophobicContact CB-CG 4.49Å; L215-K223 HydrophobicContact CD1-CB 4.4Å; G217-K223 PolarHBondContact O-NZ 2.98Å; P218-K223 PolarHBondContact O-NZ 3.37Å; T221-K223 WeakPolarHBondContact OG1-CG 3.36Å; K223-M225 VanDerWaalsContact C-N 3.26Å; K223-M225 PolarHBondContact O-N 3.3Å; K223-L226 WeakPolarHBondContact O-CB 3.4Å; K223-L226 PolarHBondContact O-N 3.41Å; K223-A227 WeakPolarHBondContact O-CB 3.39Å; K223-A227 PolarHBondContact O-N 2.89Å; K223-A343 HydrophobicContact CB-CB 3.86Å; K223-A343 HydrophobicContact CD-CB 4.22Å; K223-M344 WeakPolarHBondContact CE-O 3.42Å; K223-N345 PolarHBondContact NZ-OD1 3.36Å
224T89.6Confident90.3Very high68 Ų6827.6 Ų27.642%0.41719%0.186SC..Hα-helixtrans-61.6-38.5175.9-41.60000111.1G222 A227 S228 F299 D301G222-T224 PolarHBondContact O-N 2.98Å; T224-A227 PolarHBondContact O-N 3.21Å; T224-S228 PolarHBondContact O-N 3.39Å; T224-S228 VanDerWaalsContact O-N 3.13Å; T224-S228 PolarHBondContact O-OG 2.95Å; T224-F299 HydrophobicContact CG2-CE1 3.9Å; T224-F299 HydrophobicContact CG2-CZ 4.28Å; T224-D301 PolarHBondContact OG1-OD2 3.43Å
225M90.1Very high89.8Confident83 Ų8331.4 Ų31.441%0.40921%0.211SC..Hα-helixtrans-63.5-44.2176.8-163179.6-160.500110.7V193 G222 K223 S228 R229V193-M225 HydrophobicContact CG2-CG 4.35Å; G222-M225 CarbonylContact O-C 3.55Å; G222-M225 WeakPolarHBondContact O-CA 3.49Å; G222-M225 VanDerWaalsContact O-CB 3.29Å; G222-M225 WeakPolarHBondContact O-CB 3.32Å; G222-M225 PolarHBondContact O-N 2.82Å; G222-M225 VanDerWaalsContact O-N 3.09Å; K223-M225 VanDerWaalsContact C-N 3.26Å; K223-M225 PolarHBondContact O-N 3.3Å; M225-S228 PolarHBondContact O-OG 3.27Å; M225-R229 VanDerWaalsContact CA-NH1 3.31Å; M225-R229 VanDerWaalsContact CG-CZ 3.47Å; M225-R229 WeakPolarHBondContact O-CD 3.49Å; M225-R229 PolarHBondContact O-NE 3.29Å; M225-R229 PolarHBondContact O-NH1 2.88Å
226L92.4Very high89.3Confident0 Ų035.4 Ų35.40%023%0.233CC..Hα-helixtrans-63.3-52.9174.9-79.9167.9000110.9V193 Q196 K200 L203 L215 G222 K223 S228 R229 I385V193-L226 HydrophobicContact CB-CD2 4.5Å; V193-L226 HydrophobicContact CG1-CD2 3.9Å; V193-L226 HydrophobicContact CG1-CG 4.38Å; V193-L226 HydrophobicContact CG2-CD2 4.31Å; Q196-L226 HydrophobicContact CB-CD1 4.23Å; Q196-L226 HydrophobicContact CG-CD1 4.49Å; K200-L226 HydrophobicContact CG-CD2 4.28Å; L203-L226 HydrophobicContact CD1-CB 3.84Å; L203-L226 HydrophobicContact CD1-CD2 3.81Å; L203-L226 HydrophobicContact CD1-CG 4.44Å; L203-L226 WeakPolarHBondContact CD1-O 3.48Å; L215-L226 HydrophobicContact CD1-CB 4.32Å; G222-L226 WeakPolarHBondContact O-CB 3.39Å; G222-L226 WeakPolarHBondContact O-CG 3.28Å; G222-L226 PolarHBondContact O-N 2.88Å; K223-L226 WeakPolarHBondContact O-CB 3.4Å; K223-L226 PolarHBondContact O-N 3.41Å; L226-S228 VanDerWaalsContact C-N 3.31Å; L226-S228 PolarHBondContact O-N 3.08Å; L226-R229 PolarHBondContact O-N 2.75Å; L226-R229 VanDerWaalsContact O-N 3.12Å; L226-I385 HydrophobicContact CD1-CD1 4.17Å; L226-I385 HydrophobicContact CD1-CG1 4.44Å; L226-I385 HydrophobicContact CD1-CG2 4.23Å
227A92.7Very high89.1Confident0 Ų034.4 Ų34.40%023%0.227CC..Hα-helixtrans-57.7-39.3-174.900000113.6L215 K223 T224 R229 I230 F299 V341L215-A227 HydrophobicContact CD1-CB 4.26Å; K223-A227 WeakPolarHBondContact O-CB 3.39Å; K223-A227 PolarHBondContact O-N 2.89Å; T224-A227 PolarHBondContact O-N 3.21Å; A227-R229 PolarHBondContact O-N 2.73Å; A227-I230 WeakPolarHBondContact O-CG2 3.48Å; A227-I230 PolarHBondContact O-N 3.11Å; A227-F299 HydrophobicContact CB-CD2 3.55Å; A227-F299 HydrophobicContact CB-CE1 4.5Å; A227-F299 HydrophobicContact CB-CE2 3.31Å; A227-F299 HydrophobicContact CB-CG 4.26Å; A227-F299 HydrophobicContact CB-CZ 3.85Å; A227-V341 HydrophobicContact CB-CG1 3.85Å
228S90.9Very high89Confident29 Ų2937 Ų3720%0.20325%0.245CC..THydrogen-bonded Turntrans-69.4-12.6-17871.10000115.1T224 M225 L226T224-S228 PolarHBondContact O-N 3.39Å; T224-S228 VanDerWaalsContact O-N 3.13Å; T224-S228 PolarHBondContact O-OG 2.95Å; M225-S228 PolarHBondContact O-OG 3.27Å; L226-S228 VanDerWaalsContact C-N 3.31Å; L226-S228 PolarHBondContact O-N 3.08Å
229R91.7Very high89Confident23 Ų2339.6 Ų39.69%0.08726%0.259CS..THydrogen-bonded Turntrans-88.1-12.7179.4-8348.9166.6-162.810.5113H188 D189 L190 M225 L226 A227 N231 G232H188-R229 VanDerWaalsContact CB-CD 3.42Å; H188-R229 HydrophobicContact CB-CG 3.89Å; H188-R229 WeakPolarHBondContact O-CG 3.11Å; D189-R229 VanDerWaalsContact O-CG 3.28Å; D189-R229 WeakPolarHBondContact O-CG 3.33Å; L190-R229 HydrophobicContact CD2-CB 3.78Å; L190-R229 HydrophobicContact CD2-CG 4.37Å; L190-R229 HydrophobicContact CG-CB 4.34Å; M225-R229 VanDerWaalsContact CA-NH1 3.31Å; M225-R229 VanDerWaalsContact CG-CZ 3.47Å; M225-R229 WeakPolarHBondContact O-CD 3.49Å; M225-R229 PolarHBondContact O-NE 3.29Å; M225-R229 PolarHBondContact O-NH1 2.88Å; L226-R229 PolarHBondContact O-N 2.75Å; L226-R229 VanDerWaalsContact O-N 3.12Å; A227-R229 PolarHBondContact O-N 2.73Å; R229-N231 PolarHBondContact O-N 2.65Å; R229-N231 VanDerWaalsContact O-N 3.16Å; R229-G232 PolarHBondContact O-N 2.79Å
230I92.3Very high89.2Confident0 Ų043.8 Ų43.80%027%0.272CS..Hα-helixtrans-56.8-35.2-178.5-164.7174.4000111.9L203 T206 A207 A227 G232 L233 L234 F266 V297 V341L203-I230 HydrophobicContact CD2-CB 4.27Å; T206-I230 HydrophobicContact CG2-CD1 3.66Å; A207-I230 HydrophobicContact CB-CG1 4.24Å; A227-I230 WeakPolarHBondContact O-CG2 3.48Å; A227-I230 PolarHBondContact O-N 3.11Å; I230-G232 PolarHBondContact O-N 3.46Å; I230-L233 WeakPolarHBondContact O-CB 3.27Å; I230-L233 PolarHBondContact O-N 2.96Å; I230-L234 WeakPolarHBondContact O-CG 3.37Å; I230-L234 PolarHBondContact O-N 3.06Å; I230-F266 HydrophobicContact CG2-CD2 4.45Å; I230-F266 HydrophobicContact CG2-CE2 4.12Å; I230-V297 HydrophobicContact CG2-CB 4.4Å; I230-V297 HydrophobicContact CG2-CG1 4.07Å; I230-V297 HydrophobicContact CG2-CG2 3.83Å; I230-V341 HydrophobicContact CD1-CG2 3.76Å
231N89.6Confident89.7Confident16 Ų1642.7 Ų42.79%0.08625%0.247CC..Hα-helixtrans-59.1-32.8177.3-10130.9000113.3Q187 R229 L233 R264Q187-N231 PolarHBondContact OE1-ND2 3.27Å; R229-N231 PolarHBondContact O-N 2.65Å; R229-N231 VanDerWaalsContact O-N 3.16Å; N231-L233 VanDerWaalsContact C-N 3.25Å; N231-L233 PolarHBondContact O-N 3.2Å; N231-R264 PolarHBondContact ND2-O 2.83Å
232G88.5Confident90.1Very high42 Ų4242.5 Ų42.543%0.43325%0.246SC..Hα-helixtrans-72.9-17.3176.300000113.6R229 I230R229-G232 PolarHBondContact O-N 2.79Å; I230-G232 PolarHBondContact O-N 3.46Å
233L90.4Very high90.3Very high65 Ų6543 Ų4334%0.3424%0.243SC..Hα-helixtrans-94.2-25.7179.4-55174.8000113L190 L203 A207 I230 N231L190-L233 HydrophobicContact CD1-CD1 3.57Å; L190-L233 HydrophobicContact CD1-CD2 3.68Å; L190-L233 HydrophobicContact CD1-CG 4.14Å; L190-L233 HydrophobicContact CD2-CD1 4.47Å; L190-L233 HydrophobicContact CG-CD1 4Å; L190-L233 HydrophobicContact CG-CD2 3.98Å; L190-L233 HydrophobicContact CG-CG 4.31Å; L203-L233 HydrophobicContact CB-CD1 3.97Å; A207-L233 HydrophobicContact CB-CB 3.6Å; A207-L233 HydrophobicContact CB-CD1 4.23Å; I230-L233 WeakPolarHBondContact O-CB 3.27Å; I230-L233 PolarHBondContact O-N 2.96Å; N231-L233 VanDerWaalsContact C-N 3.25Å; N231-L233 PolarHBondContact O-N 3.2Å
234L90.6Very high90.4Very high16 Ų1646.2 Ų46.28%0.08426%0.258CS..SBendtrans-73.2145.5-178.6-68170.8000110.9A207 I230 V297A207-L234 HydrophobicContact CB-CD2 3.97Å; A207-L234 HydrophobicContact CB-CG 4.43Å; I230-L234 WeakPolarHBondContact O-CG 3.37Å; I230-L234 PolarHBondContact O-N 3.06Å; L234-V297 HydrophobicContact CD1-CG2 3.69Å
235P86.6Confident90.7Very high84 Ų8443.6 Ų43.655%0.54524%0.242SC..PPolyproline II helixtrans-65153.8174.727.6-33.3000110.4R264P235-R264 PolarHBondContact O-NE 3.14Å; P235-R264 PolarHBondContact O-NH2 2.79Å
236D84.8Confident90.8Very high85 Ų8540 Ų4046%0.45523%0.225SC..PPolyproline II helixtrans-58155.3174.7-68.6-25000111.3R184 S238R184-D236 IonicContact CZ-OD1 3.27Å; R184-D236 IonicContact CZ-OD2 3.99Å; R184-D236 IonicContact NE-OD1 2.8Å; R184-D236 PolarHBondContact NE-OD1 2.74Å; R184-D236 IonicContact NE-OD2 2.91Å; R184-D236 PolarHBondContact NE-OD2 3.27Å; R184-D236 IonicContact NH2-OD1 3.24Å; R184-D236 PolarHBondContact NH2-OD1 2.73Å; R184-D236 IonicContact NH2-OD2 3.27Å; R184-D236 PolarHBondContact NH2-OD2 3.24Å; D236-S238 PolarHBondContact O-N 3.27Å
237L90.2Very high90.9Very high8 Ų840.3 Ų40.34%0.04223%0.228CC..PPolyproline II helixtrans-64.9135.8171.9-65.6-178.3000109.9E241 A242 Q263 R264 N295L237-E241 HydrophobicContact CB-CB 4.19Å; L237-E241 HydrophobicContact CD2-CB 3.93Å; L237-A242 HydrophobicContact CB-CB 3.99Å; L237-A242 HydrophobicContact CD1-CB 4.35Å; L237-Q263 WeakPolarHBondContact CD1-O 3.15Å; L237-R264 HydrophobicContact CD2-CG 3.75Å; L237-R264 HydrophobicContact CG-CG 3.94Å; L237-N295 HydrophobicContact CD2-CB 3.59Å; L237-N295 WeakPolarHBondContact CD2-O 3.46Å
238S90Very high91Very high54 Ų5440.4 Ų40.438%0.37823%0.229SC..PPolyproline II helixtrans-59.8163161.966.50000110.4D236 E240 E241 A242D236-S238 PolarHBondContact O-N 3.27Å; S238-E240 PolarHBondContact O-N 2.98Å; S238-E241 WeakPolarHBondContact CB-OE2 3.49Å; S238-E241 PolarHBondContact N-OE2 3.36Å; S238-E241 PolarHBondContact O-N 3.31Å; S238-E241 VanDerWaalsContact OG-CG 3.25Å; S238-E241 WeakPolarHBondContact OG-CG 3.39Å; S238-E241 PolarHBondContact OG-N 3.37Å; S238-E241 PolarHBondContact OG-OE2 3.03Å; S238-A242 VanDerWaalsContact O-CB 3.24Å; S238-A242 WeakPolarHBondContact O-CB 3.12Å; S238-A242 PolarHBondContact O-N 2.82Å
239N87.7Confident91.2Very high71 Ų7140.1 Ų40.138%0.3823%0.225SC..Hα-helixtrans-58.5-37.6177.9-74.2-27.2000112.6L243 R262N239-L243 WeakPolarHBondContact O-CB 3.4Å; N239-L243 WeakPolarHBondContact O-CG 3.12Å; N239-L243 PolarHBondContact O-N 3.03Å; N239-R262 PolarHBondContact OD1-NE 3.19Å; N239-R262 VanDerWaalsContact OD1-NE 3.07Å; N239-R262 PolarHBondContact OD1-NH2 3.42Å
240E90.1Very high91.2Very high154 Ų15439.3 Ų39.372%0.7222%0.223SC*.Hα-helixtrans-67.3-50.8179.8-66.4178.1-17700110.7S238 A242 L243 E244S238-E240 PolarHBondContact O-N 2.98Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 3.41Å; E240-L243 PolarHBondContact O-N 2.71Å; E240-E244 WeakPolarHBondContact O-CG 3.34Å; E240-E244 PolarHBondContact O-N 3.25Å
241E93.6Very high91.1Very high55 Ų5541.6 Ų41.626%0.25724%0.235SC..Hα-helixtrans-61.4-38.4177.1-67.2166127.200112L237 S238 E244 S245 N295L237-E241 HydrophobicContact CB-CB 4.19Å; L237-E241 HydrophobicContact CD2-CB 3.93Å; S238-E241 WeakPolarHBondContact CB-OE2 3.49Å; S238-E241 PolarHBondContact N-OE2 3.36Å; S238-E241 PolarHBondContact O-N 3.31Å; S238-E241 VanDerWaalsContact OG-CG 3.25Å; S238-E241 WeakPolarHBondContact OG-CG 3.39Å; S238-E241 PolarHBondContact OG-N 3.37Å; S238-E241 PolarHBondContact OG-OE2 3.03Å; E241-E244 PolarHBondContact O-N 3.16Å; E241-S245 PolarHBondContact O-N 2.87Å; E241-S245 PolarHBondContact O-OG 2.9Å; E241-N295 HydrophobicContact CB-CB 4.27Å; E241-N295 WeakPolarHBondContact CB-ND2 3.49Å; E241-N295 PolarHBondContact O-ND2 3.23Å
242A91.8Very high91.2Very high2 Ų245.2 Ų45.22%0.01726%0.257CS..Hα-helixtrans-64.7-41.4177.100000111.6L237 S238 E240 A246 W261 R262L237-A242 HydrophobicContact CB-CB 3.99Å; L237-A242 HydrophobicContact CD1-CB 4.35Å; S238-A242 VanDerWaalsContact O-CB 3.24Å; S238-A242 WeakPolarHBondContact O-CB 3.12Å; S238-A242 PolarHBondContact O-N 2.82Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 3.41Å; A242-A246 WeakPolarHBondContact O-CB 3.31Å; A242-A246 PolarHBondContact O-N 3.24Å; A242-W261 HydrophobicContact CB-CE3 4.07Å; A242-W261 HydrophobicContact CB-CH2 3.73Å; A242-W261 HydrophobicContact CB-CZ2 4.31Å; A242-W261 HydrophobicContact CB-CZ3 3.61Å; A242-W261 WeakPolarHBondContact O-CZ3 3.28Å; A242-R262 HydrophobicContact CB-CG 3.97Å
243L91.7Very high91.2Very high35 Ų3546.5 Ų46.518%0.18325%0.254CS..Hα-helixtrans-64.7-40.9174.7-77.3175.2000111.9I123 L148 I149 N239 E240 A246 A247 W261I123-L243 HydrophobicContact CG2-CD2 4.24Å; L148-L243 HydrophobicContact CB-CD2 3.95Å; I149-L243 HydrophobicContact CG1-CD2 3.85Å; N239-L243 WeakPolarHBondContact O-CB 3.4Å; N239-L243 WeakPolarHBondContact O-CG 3.12Å; N239-L243 PolarHBondContact O-N 3.03Å; E240-L243 PolarHBondContact O-N 2.71Å; L243-A246 PolarHBondContact O-N 3.13Å; L243-A247 WeakPolarHBondContact O-CB 3.2Å; L243-A247 PolarHBondContact O-N 2.83Å; L243-W261 HydrophobicContact CD2-CH2 3.73Å; L243-W261 HydrophobicContact CD2-CZ3 4.15Å; L243-W261 HydrophobicContact CG-CH2 3.88Å; L243-W261 HydrophobicContact CG-CZ3 4.47Å
244E93.7Very high91Very high80 Ų8045.7 Ų45.737%0.37426%0.257SS..Hα-helixtrans-61.6-50.4176.1-71.5179.4159.800111.5E240 E241 A246 A247 I248 H294E240-E244 WeakPolarHBondContact O-CG 3.34Å; E240-E244 PolarHBondContact O-N 3.25Å; E241-E244 PolarHBondContact O-N 3.16Å; E244-A246 VanDerWaalsContact C-N 3.34Å; E244-A246 PolarHBondContact O-N 2.9Å; E244-A247 PolarHBondContact O-N 3.11Å; E244-I248 WeakPolarHBondContact O-CG1 3.29Å; E244-I248 PolarHBondContact O-N 3.45Å; E244-H294 IonicContact OE2-NE2 3.77Å; E244-H294 PolarHBondContact OE2-NE2 3.32Å
245S94.5Very high90.7Very high14 Ų1452.9 Ų52.910%0.09829%0.29CS..Hα-helixtrans-64.2-38.9177.8-60.50000111.8E241 I248 L249 H294E241-S245 PolarHBondContact O-N 2.87Å; E241-S245 PolarHBondContact O-OG 2.9Å; S245-I248 PolarHBondContact O-N 3.18Å; S245-L249 WeakPolarHBondContact O-CB 3.29Å; S245-L249 PolarHBondContact O-N 3.12Å; S245-H294 PolarHBondContact OG-O 3.5Å
246A93.5Very high90.6Very high6 Ų650 Ų505%0.0527%0.271CS..Hα-helixtrans-62.5-43.217500000112I123 L148 A242 L243 E244 I248 L249 S250 V257 W261I123-A246 HydrophobicContact CD1-CB 3.83Å; L148-A246 HydrophobicContact CD1-CB 4.1Å; A242-A246 WeakPolarHBondContact O-CB 3.31Å; A242-A246 PolarHBondContact O-N 3.24Å; L243-A246 PolarHBondContact O-N 3.13Å; E244-A246 VanDerWaalsContact C-N 3.34Å; E244-A246 PolarHBondContact O-N 2.9Å; A246-I248 VanDerWaalsContact C-N 3.3Å; A246-I248 PolarHBondContact O-N 3.33Å; A246-L249 PolarHBondContact O-N 2.93Å; A246-S250 WeakPolarHBondContact O-CB 3.42Å; A246-S250 PolarHBondContact O-N 3.33Å; A246-V257 HydrophobicContact CB-CG1 3.56Å; A246-W261 HydrophobicContact CB-CE3 4.36Å; A246-W261 HydrophobicContact CB-CZ3 4.04Å
247A94.3Very high90.7Very high8 Ų846.1 Ų46.17%0.06625%0.251CS..Hα-helixtrans-62.1-35.5177.800000112.4V14 I123 L243 E244 L251V14-A247 HydrophobicContact CG1-CB 4.48Å; I123-A247 HydrophobicContact CB-CB 4.33Å; I123-A247 HydrophobicContact CG2-CB 4.09Å; L243-A247 WeakPolarHBondContact O-CB 3.2Å; L243-A247 PolarHBondContact O-N 2.83Å; E244-A247 PolarHBondContact O-N 3.11Å; A247-L251 WeakPolarHBondContact O-CG 3.47Å
248I95Very high90.3Very high2 Ų248.5 Ų48.51%0.0126%0.262CS..Hα-helixtrans-70.5-48.6174.4-59.9164.8000110.5V14 E244 S245 A246 S250 L251 P287 S291 L292 H294 P335V14-I248 HydrophobicContact CG1-CB 4.33Å; V14-I248 HydrophobicContact CG1-CG1 3.49Å; V14-I248 VanDerWaalsContact CG1-CG1 3.49Å; E244-I248 WeakPolarHBondContact O-CG1 3.29Å; E244-I248 PolarHBondContact O-N 3.45Å; S245-I248 PolarHBondContact O-N 3.18Å; A246-I248 VanDerWaalsContact C-N 3.3Å; A246-I248 PolarHBondContact O-N 3.33Å; I248-S250 VanDerWaalsContact C-N 3.29Å; I248-S250 PolarHBondContact O-N 2.82Å; I248-L251 WeakPolarHBondContact O-CB 3.38Å; I248-L251 PolarHBondContact O-N 2.87Å; I248-P287 HydrophobicContact CG2-CB 3.77Å; I248-P287 HydrophobicContact CG2-CG 4.06Å; I248-S291 VanDerWaalsContact CD1-O 3.3Å; I248-S291 WeakPolarHBondContact CD1-O 3.35Å; I248-L292 HydrophobicContact CG2-CD2 4.08Å; I248-H294 HydrophobicContact CD1-CB 3.66Å; I248-P335 HydrophobicContact CD1-CG 3.7Å; I248-P335 HydrophobicContact CG1-CG 4.4Å
249L94Very high90Very high23 Ų2352.9 Ų52.912%0.1227%0.274CS..Hα-helixtrans-62.4-37.8-177.3-179.560.3000111.5S245 A246 L251 V252 N253 V257 Q260 L292S245-L249 WeakPolarHBondContact O-CB 3.29Å; S245-L249 PolarHBondContact O-N 3.12Å; A246-L249 PolarHBondContact O-N 2.93Å; L249-L251 PolarHBondContact O-N 2.77Å; L249-V252 PolarHBondContact O-N 3.39Å; L249-N253 HydrophobicContact CD1-CB 4.45Å; L249-N253 CarbonylContact O-C 3.38Å; L249-N253 PolarHBondContact O-N 2.94Å; L249-V257 HydrophobicContact CB-CG2 4.29Å; L249-V257 HydrophobicContact CD2-CG2 4.22Å; L249-V257 HydrophobicContact CG-CG2 4.06Å; L249-Q260 HydrophobicContact CD2-CB 4.32Å; L249-L292 HydrophobicContact CD1-CD2 4.43Å
250S92.7Very high89.9Confident6 Ų653.3 Ų53.34%0.04227%0.274CS..Hα-helixtrans-66.9-20.9-177.4101.30000114E145 A246 I248 V252E145-S250 WeakPolarHBondContact OE1-CB 3.43Å; E145-S250 PolarHBondContact OE1-OG 3.5Å; A246-S250 WeakPolarHBondContact O-CB 3.42Å; A246-S250 PolarHBondContact O-N 3.33Å; I248-S250 VanDerWaalsContact C-N 3.29Å; I248-S250 PolarHBondContact O-N 2.82Å; S250-V252 VanDerWaalsContact C-N 3.27Å; S250-V252 PolarHBondContact O-N 2.97Å
251L90.8Very high89.7Confident48 Ų4846.4 Ų46.425%0.25124%0.241SC..Hα-helixtrans-69.7-23.3172.4-61.1171000113.3G13 V14 A247 I248 L249 Y334G13-L251 VanDerWaalsContact C-CD1 3.45Å; V14-L251 HydrophobicContact CG1-CD1 4.14Å; A247-L251 WeakPolarHBondContact O-CG 3.47Å; I248-L251 WeakPolarHBondContact O-CB 3.38Å; I248-L251 PolarHBondContact O-N 2.87Å; L249-L251 PolarHBondContact O-N 2.77Å; L251-Y334 HydrophobicContact CD1-CE1 3.85Å
252V90.3Very high89.4Confident92 Ų9247.9 Ų47.956%0.55824%0.244SC*.Hα-helixtrans-110.2-40.2-177.2-176.10000111.5L249 S250 P287 L292L249-V252 PolarHBondContact O-N 3.39Å; S250-V252 VanDerWaalsContact C-N 3.27Å; S250-V252 PolarHBondContact O-N 2.97Å; V252-P287 HydrophobicContact CG2-CG 3.58Å; V252-L292 HydrophobicContact CG2-CD2 4.31Å
253N89.3Confident89.2Confident68 Ų6849.5 Ų49.536%0.36425%0.252SS..Hα-helixtrans-153.583.3-174.7-171.3-25.7000110.9L249 E255 S256L249-N253 HydrophobicContact CD1-CB 4.45Å; L249-N253 CarbonylContact O-C 3.38Å; L249-N253 PolarHBondContact O-N 2.94Å; N253-E255 VanDerWaalsContact C-N 3.28Å; N253-E255 PolarHBondContact O-N 3.1Å; N253-E255 PolarHBondContact OD1-N 3.18Å; N253-S256 PolarHBondContact ND2-OG 2.81Å; N253-S256 PolarHBondContact O-N 2.96Å; N253-S256 PolarHBondContact OD1-N 3.14Å; N253-S256 PolarHBondContact OD1-OG 2.95Å
254A85.9Confident89.2Confident48 Ų4849.9 Ų49.940%0.39725%0.251SS..G310 helixtrans-58.5-36.6178.700000113.1S256 V257A254-S256 PolarHBondContact O-N 3.06Å; A254-V257 WeakPolarHBondContact O-CB 3.43Å; A254-V257 WeakPolarHBondContact O-CG2 3.4Å; A254-V257 PolarHBondContact O-N 3.05Å
255E84.7Confident89.2Confident167 Ų16747 Ų4778%0.7824%0.239SC*.G310 helixtrans-64.4-22.9-178.7-61.2-178.4-17700113.8N253N253-E255 VanDerWaalsContact C-N 3.28Å; N253-E255 PolarHBondContact O-N 3.1Å; N253-E255 PolarHBondContact OD1-N 3.18Å
256S84.9Confident89.2Confident23 Ų2349.2 Ų49.216%0.16125%0.247CC..G310 helixtrans-89.2-12.4-178.4-62.40000113.5N253 A254 Q258 K259 Q260N253-S256 PolarHBondContact ND2-OG 2.81Å; N253-S256 PolarHBondContact O-N 2.96Å; N253-S256 PolarHBondContact OD1-N 3.14Å; N253-S256 PolarHBondContact OD1-OG 2.95Å; A254-S256 PolarHBondContact O-N 3.06Å; S256-Q258 PolarHBondContact O-N 2.87Å; S256-K259 PolarHBondContact O-N 3.29Å; S256-Q260 PolarHBondContact O-N 3.42Å
257V86.2Confident89.3Confident4 Ų452.2 Ų52.22%0.02426%0.257CS..THydrogen-bonded Turntrans-62.3-47.3-171.6-178.40000111.6I123 L148 A246 L249 A254 K259 Q260 W261I123-V257 HydrophobicContact CD1-CG1 4.26Å; L148-V257 HydrophobicContact CD1-CG1 3.4Å; L148-V257 VanDerWaalsContact CD1-CG1 3.4Å; A246-V257 HydrophobicContact CB-CG1 3.56Å; L249-V257 HydrophobicContact CB-CG2 4.29Å; L249-V257 HydrophobicContact CD2-CG2 4.22Å; L249-V257 HydrophobicContact CG-CG2 4.06Å; A254-V257 WeakPolarHBondContact O-CB 3.43Å; A254-V257 WeakPolarHBondContact O-CG2 3.4Å; A254-V257 PolarHBondContact O-N 3.05Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 PolarHBondContact O-N 2.85Å; V257-Q260 CarbonylContact O-C 3.59Å; V257-Q260 PolarHBondContact O-N 2.99Å; V257-W261 PolarHBondContact O-N 3.43Å; V257-W261 VanDerWaalsContact O-N 3.15Å
258Q82.1Confident89.4Confident58 Ų5855 Ų5527%0.27128%0.276SS..G310 helixtrans-63.8-37.6178.3-75.2-167.9-20.600112.9D144 T179 S256 Q260 W261D144-Q258 VanDerWaalsContact CA-NE2 3.25Å; D144-Q258 HydrophobicContact CB-CG 4.05Å; D144-Q258 VanDerWaalsContact CG-CD 3.45Å; D144-Q258 PolarHBondContact O-NE2 2.99Å; D144-Q258 PolarHBondContact OD1-NE2 2.97Å; T179-Q258 HydrophobicContact CG2-CG 4.31Å; S256-Q258 PolarHBondContact O-N 2.87Å; Q258-Q260 PolarHBondContact O-N 2.98Å; Q258-W261 WeakPolarHBondContact O-CB 3.48Å; Q258-W261 PolarHBondContact O-N 2.94Å
259K84Confident89.4Confident146 Ų14655.6 Ų55.664%0.63528%0.28SS*.G310 helixtrans-66.4-27.7-179.1-63.9177.9-175.5168.10112.4S256 V257 Q263S256-K259 PolarHBondContact O-N 3.29Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 PolarHBondContact O-N 2.85Å; K259-Q263 PolarHBondContact O-NE2 2.82Å
260Q85Confident89.4Confident80 Ų8059.9 Ų59.937%0.37430%0.299SS..G310 helixtrans-105.911.7-178.3-61.1-177.711.800112.2L249 S256 V257 Q258 R262 Q263L249-Q260 HydrophobicContact CD2-CB 4.32Å; S256-Q260 PolarHBondContact O-N 3.42Å; V257-Q260 CarbonylContact O-C 3.59Å; V257-Q260 PolarHBondContact O-N 2.99Å; Q258-Q260 PolarHBondContact O-N 2.98Å; Q260-R262 PolarHBondContact O-N 3.29Å; Q260-Q263 PolarHBondContact O-N 2.77Å
261W86.7Confident89.4Confident9 Ų962 Ų623%0.03431%0.308CS..THydrogen-bonded Turntrans-58.8129.3-177.4-178-128.2000111.7L148 A242 L243 A246 V257 Q258 Q263L148-W261 HydrophobicContact CB-CE3 4.33Å; L148-W261 HydrophobicContact CB-CH2 3.84Å; L148-W261 HydrophobicContact CB-CZ2 4.15Å; L148-W261 HydrophobicContact CB-CZ3 3.92Å; L148-W261 HydrophobicContact CD1-CE3 4.02Å; L148-W261 HydrophobicContact CD1-CZ3 4.09Å; L148-W261 HydrophobicContact CD2-CB 4.46Å; L148-W261 HydrophobicContact CD2-CD2 3.65Å; L148-W261 HydrophobicContact CD2-CE3 3.8Å; L148-W261 HydrophobicContact CD2-CG 3.94Å; L148-W261 HydrophobicContact CD2-CZ2 4.44Å; L148-W261 HydrophobicContact CD2-CZ3 4.27Å; L148-W261 HydrophobicContact CG-CE3 4.26Å; L148-W261 HydrophobicContact CG-CZ3 4.31Å; A242-W261 HydrophobicContact CB-CE3 4.07Å; A242-W261 HydrophobicContact CB-CH2 3.73Å; A242-W261 HydrophobicContact CB-CZ2 4.31Å; A242-W261 HydrophobicContact CB-CZ3 3.61Å; A242-W261 WeakPolarHBondContact O-CZ3 3.28Å; L243-W261 HydrophobicContact CD2-CH2 3.73Å; L243-W261 HydrophobicContact CD2-CZ3 4.15Å; L243-W261 HydrophobicContact CG-CH2 3.88Å; L243-W261 HydrophobicContact CG-CZ3 4.47Å; A246-W261 HydrophobicContact CB-CE3 4.36Å; A246-W261 HydrophobicContact CB-CZ3 4.04Å; V257-W261 PolarHBondContact O-N 3.43Å; V257-W261 VanDerWaalsContact O-N 3.15Å; Q258-W261 WeakPolarHBondContact O-CB 3.48Å; Q258-W261 PolarHBondContact O-N 2.94Å; W261-Q263 PolarHBondContact O-N 3.1Å; W261-Q263 VanDerWaalsContact O-N 3.07Å
262R86.3Confident89.5Confident86 Ų8664.1 Ų64.133%0.32533%0.327SS..THydrogen-bonded Turntrans58.36.4-174.3-64.5-177.4174.3168.63.1116.5N239 A242 Q260N239-R262 PolarHBondContact OD1-NE 3.19Å; N239-R262 VanDerWaalsContact OD1-NE 3.07Å; N239-R262 PolarHBondContact OD1-NH2 3.42Å; A242-R262 HydrophobicContact CB-CG 3.97Å; Q260-R262 PolarHBondContact O-N 3.29Å
263Q87.9Confident89.7Confident37 Ų3760.6 Ų60.617%0.17331%0.308CS..PPolyproline II helixtrans-87.9139.6173.8-62.6177.326.400109.8L237 K259 Q260 W261 P265L237-Q263 WeakPolarHBondContact CD1-O 3.15Å; K259-Q263 PolarHBondContact O-NE2 2.82Å; Q260-Q263 PolarHBondContact O-N 2.77Å; W261-Q263 PolarHBondContact O-N 3.1Å; W261-Q263 VanDerWaalsContact O-N 3.07Å; Q263-P265 WeakPolarHBondContact O-CD 3.43Å
264R91.4Very high89.8Confident43 Ų4360.3 Ų60.316%0.16231%0.311CS..PPolyproline II helixtrans-68.9125.9173-71-162.7-177.4-92.8-7.4110.1N231 P235 L237 F266 N295N231-R264 PolarHBondContact ND2-O 2.83Å; P235-R264 PolarHBondContact O-NE 3.14Å; P235-R264 PolarHBondContact O-NH2 2.79Å; L237-R264 HydrophobicContact CD2-CG 3.75Å; L237-R264 HydrophobicContact CG-CG 3.94Å; R264-F266 PolarHBondContact O-N 2.91Å; R264-N295 WeakPolarHBondContact CD-O 3.47Å; R264-N295 WeakPolarHBondContact CG-O 3.38Å; R264-N295 PolarHBondContact NH1-O 3.36Å
265P93.6Very high90.2Very high18 Ų1861.4 Ų61.412%0.11731%0.31CS..PPolyproline II helixtrans-58.9135174.8-24.134.1000111.1Q263 L292 G296 V297Q263-P265 WeakPolarHBondContact O-CD 3.43Å; P265-L292 VanDerWaalsContact CB-O 3.25Å; P265-L292 WeakPolarHBondContact CB-O 3.33Å; P265-G296 CarbonylContact O-C 3.42Å; P265-G296 VanDerWaalsContact O-CA 3.27Å; P265-G296 WeakPolarHBondContact O-CA 3.3Å; P265-V297 PolarHBondContact O-N 3.1Å
266F94.2Very high90.6Very high61 Ų6157.2 Ų57.227%0.26830%0.296SS..EExtended strand (participates in β ladder)trans-117.5109167.5-172-87.3000108.1I230 R264 V297 F299I230-F266 HydrophobicContact CG2-CD2 4.45Å; I230-F266 HydrophobicContact CG2-CE2 4.12Å; R264-F266 PolarHBondContact O-N 2.91Å; F266-V297 HydrophobicContact CD2-CB 3.87Å; F266-V297 HydrophobicContact CD2-CG1 3.91Å; F266-V297 HydrophobicContact CE2-CB 4.29Å; F266-V297 HydrophobicContact CE2-CG1 3.81Å; F266-F299 HydrophobicContact CE1-CB 3.83Å; F266-F299 HydrophobicContact CE1-CD1 4.17Å; F266-F299 HydrophobicContact CE1-CG 4.3Å; F266-F299 HydrophobicContact CE2-CB 4.01Å; F266-F299 HydrophobicContact CZ-CB 3.39Å; F266-F299 AromaticContact CZ-CD1 3.96Å; F266-F299 HydrophobicContact CZ-CD1 3.96Å; F266-F299 AromaticContact CZ-CG 3.75Å; F266-F299 HydrophobicContact CZ-CG 3.75Å
267R95.8Very high91Very high70 Ų7058.2 Ų58.226%0.26431%0.305SS..EExtended strand (participates in β ladder)trans-105.1127.1-178.9-59.2-55.9-62.9-175.3-3.2109.2E289 L292 A293 V297 L298 F299R267-E289 IonicContact CZ-OE1 3.41Å; R267-E289 IonicContact CZ-OE2 3.81Å; R267-E289 VanDerWaalsContact CZ-OE2 3.25Å; R267-E289 IonicContact NE-OE1 3.77Å; R267-E289 IonicContact NE-OE2 3.14Å; R267-E289 PolarHBondContact NE-OE2 2.77Å; R267-E289 IonicContact NH2-OE1 3.48Å; R267-E289 PolarHBondContact NH2-OE1 3.24Å; R267-E289 IonicContact NH2-OE2 2.86Å; R267-E289 PolarHBondContact NH2-OE2 2.91Å; R267-L292 HydrophobicContact CG-CB 4.25Å; R267-A293 HydrophobicContact CB-CB 4.06Å; R267-A293 HydrophobicContact CG-CB 3.68Å; R267-V297 PolarHBondContact N-O 2.92Å; R267-L298 HydrophobicContact CB-CD1 3.92Å; R267-F299 PolarHBondContact O-N 3.41Å
268S95.9Very high91.4Very high66 Ų6658 Ų5846%0.46230%0.304SS..  trans-129.469.1179.4-179.90000110.3F299S268-F299 WeakPolarHBondContact CA-O 3.16Å; S268-F299 WeakPolarHBondContact OG-CD1 3.19Å
269P96.1Very high92Very high14 Ų1456.2 Ų56.29%0.09130%0.297CS..  trans-60.3142.7178.425.7-33.2000111.1A273 M278 E289 L298 L300P269-A273 HydrophobicContact CB-CB 4.06Å; P269-M278 HydrophobicContact CB-SD 3.73Å; P269-M278 HydrophobicContact CG-CE 3.93Å; P269-M278 HydrophobicContact CG-SD 3.48Å; P269-M278 WeakPolarHBondContact CG-SD 3.42Å; P269-E289 HydrophobicContact CB-CG 3.99Å; P269-E289 HydrophobicContact CG-CB 4.4Å; P269-E289 HydrophobicContact CG-CG 4.32Å; P269-L298 HydrophobicContact CG-CD1 4.03Å; P269-L300 HydrophobicContact CG-CD2 3.84Å
270H94Very high92.4Very high113 Ų11349.4 Ų49.452%0.52327%0.268SS..  trans-66.4148.3172.1-170.3-98.6000110S272 A273H270-S272 WeakPolarHBondContact ND1-CB 2.9Å; H270-S272 PolarHBondContact ND1-N 2.98Å; H270-S272 PolarHBondContact ND1-OG 2.93Å; H270-S272 PolarHBondContact O-N 3.47Å; H270-A273 WeakPolarHBondContact O-CB 3.31Å; H270-A273 PolarHBondContact O-N 2.93Å
271H91.9Very high92.7Very high52 Ų5246.2 Ų46.224%0.24126%0.257CS..THydrogen-bonded Turntrans-60.5-16.3-178.656.7-106.7000114.3A273 E302 E305 F306H271-A273 PolarHBondContact O-N 2.95Å; H271-E302 IonicContact CE1-OE2 3.93Å; H271-E302 PolarHBondContact CE1-OE2 3.35Å; H271-E302 VanDerWaalsContact CE1-OE2 3.27Å; H271-E302 IonicContact ND1-OE2 2.89Å; H271-E302 PolarHBondContact ND1-OE2 2.82Å; H271-E305 HydrophobicContact CB-CB 3.88Å; H271-F306 HydrophobicContact CB-CD1 4.39Å; H271-F306 HydrophobicContact CB-CD2 3.62Å; H271-F306 HydrophobicContact CB-CE1 4.41Å; H271-F306 HydrophobicContact CB-CE2 3.65Å; H271-F306 HydrophobicContact CB-CG 4.02Å; H271-F306 HydrophobicContact CB-CZ 4.05Å
272S93.6Very high92.6Very high91 Ų9148 Ų4864%0.63628%0.278SS*.THydrogen-bonded Turntrans-78.81.9170.770.40000114.2H270 S274H270-S272 WeakPolarHBondContact ND1-CB 2.9Å; H270-S272 PolarHBondContact ND1-N 2.98Å; H270-S272 PolarHBondContact ND1-OG 2.93Å; H270-S272 PolarHBondContact O-N 3.47Å; S272-S274 PolarHBondContact O-N 3.38Å
273A93.4Very high92.3Very high19 Ų1946.5 Ų46.516%0.15728%0.284CS..  trans-62.2123.7177.100000110P269 H270 H271 A277 M278P269-A273 HydrophobicContact CB-CB 4.06Å; H270-A273 WeakPolarHBondContact O-CB 3.31Å; H270-A273 PolarHBondContact O-N 2.93Å; H271-A273 PolarHBondContact O-N 2.95Å; A273-A277 HydrophobicContact CB-CB 4.38Å; A273-M278 HydrophobicContact CB-CG 4.07Å; A273-M278 HydrophobicContact CB-SD 4.01Å
274S93.1Very high92Very high62 Ų6247.2 Ų47.243%0.43429%0.288SS..  trans-66.6159.8177.972.60000111S272 T276 A277 M278S272-S274 PolarHBondContact O-N 3.38Å; S274-T276 PolarHBondContact O-N 2.99Å; S274-T276 VanDerWaalsContact O-N 3.1Å; S274-T276 PolarHBondContact OG-N 3.09Å; S274-A277 PolarHBondContact O-N 3.33Å; S274-A277 PolarHBondContact OG-N 3.42Å; S274-M278 PolarHBondContact O-N 3.45Å
275L93.6Very high91.8Very high71 Ų7145.2 Ų45.237%0.37228%0.28SS..Hα-helixtrans-50-38170.817965.5000112M278 V279 A313L275-M278 PolarHBondContact O-N 2.9Å; L275-V279 HydrophobicContact CD1-CG2 3.84Å; L275-V279 VanDerWaalsContact O-CB 3.32Å; L275-V279 WeakPolarHBondContact O-CB 3.46Å; L275-V279 PolarHBondContact O-N 2.66Å; L275-A313 HydrophobicContact CD1-CB 3.56Å
276T92.6Very high91.7Very high79 Ų7945.5 Ų45.549%0.48529%0.287SS..Hα-helixtrans-70.5-35.6179.4-58.90000112.6S274 G280S274-T276 PolarHBondContact O-N 2.99Å; S274-T276 VanDerWaalsContact O-N 3.1Å; S274-T276 PolarHBondContact OG-N 3.09Å; T276-G280 CarbonylContact O-C 3.55Å; T276-G280 WeakPolarHBondContact O-CA 3.47Å; T276-G280 PolarHBondContact O-N 3.05Å
277A94.2Very high91.7Very high43 Ų4343.5 Ų43.536%0.35528%0.28SS..Hα-helixtrans-67.5-39.3174.700000111.4A273 S274 G288 E289A273-A277 HydrophobicContact CB-CB 4.38Å; S274-A277 PolarHBondContact O-N 3.33Å; S274-A277 PolarHBondContact OG-N 3.42Å; A277-G288 CarbonylContact O-C 3.54Å; A277-G288 VanDerWaalsContact O-CA 3.28Å; A277-G288 WeakPolarHBondContact O-CA 3.04Å; A277-E289 PolarHBondContact O-N 2.8Å
278M94.7Very high91.7Very high1 Ų140.3 Ų40.31%0.00527%0.269CS..Hα-helixtrans-71.1-50.7-179.8-70.3-60.3-64.900113P269 A273 S274 L275 G288 E289 I290 L298 L300 T310 L314P269-M278 HydrophobicContact CB-SD 3.73Å; P269-M278 HydrophobicContact CG-CE 3.93Å; P269-M278 HydrophobicContact CG-SD 3.48Å; P269-M278 WeakPolarHBondContact CG-SD 3.42Å; A273-M278 HydrophobicContact CB-CG 4.07Å; A273-M278 HydrophobicContact CB-SD 4.01Å; S274-M278 PolarHBondContact O-N 3.45Å; L275-M278 PolarHBondContact O-N 2.9Å; M278-G288 CarbonylContact O-C 3.52Å; M278-E289 HydrophobicContact CE-CB 4.43Å; M278-E289 PolarHBondContact O-N 3.21Å; M278-E289 VanDerWaalsContact O-N 3.14Å; M278-E289 HydrophobicContact SD-CB 3.92Å; M278-E289 HydrophobicContact SD-CG 4.09Å; M278-I290 WeakPolarHBondContact O-CB 3.16Å; M278-I290 WeakPolarHBondContact O-CD1 3.46Å; M278-I290 VanDerWaalsContact O-CG1 3.26Å; M278-I290 WeakPolarHBondContact O-CG1 3.11Å; M278-I290 PolarHBondContact O-N 3.09Å; M278-I290 VanDerWaalsContact O-N 3.1Å; M278-L298 HydrophobicContact CE-CD1 4.34Å; M278-L298 HydrophobicContact CE-CD2 4.04Å; M278-L300 HydrophobicContact CE-CD2 3.96Å; M278-T310 HydrophobicContact CB-CG2 3.89Å; M278-T310 HydrophobicContact CG-CG2 3.42Å; M278-T310 VanDerWaalsContact CG-CG2 3.42Å; M278-L314 HydrophobicContact CE-CD2 4.1Å
279V94.4Very high91.7Very high20 Ų2038.8 Ų38.812%0.12126%0.255CS..Hα-helixtrans-87.2-29.3-173.3162.60000112.7L275 I290 A313 I323 L325L275-V279 HydrophobicContact CD1-CG2 3.84Å; L275-V279 VanDerWaalsContact O-CB 3.32Å; L275-V279 WeakPolarHBondContact O-CB 3.46Å; L275-V279 PolarHBondContact O-N 2.66Å; V279-I290 HydrophobicContact CG2-CD1 3.98Å; V279-A313 HydrophobicContact CG2-CB 3.97Å; V279-I323 HydrophobicContact CB-CD1 4Å; V279-I323 HydrophobicContact CG1-CD1 3.55Å; V279-I323 HydrophobicContact CG1-CG1 4.28Å; V279-I323 HydrophobicContact CG2-CD1 4.01Å; V279-L325 HydrophobicContact CG1-CD2 3.46Å; V279-L325 VanDerWaalsContact CG1-CD2 3.46Å
280G93.1Very high91.8Very high2 Ų238.1 Ų38.12%0.02125%0.25CS..EExtended strand (participates in β ladder)trans97.3164.2-168.200000112.4T276 G286T276-G280 CarbonylContact O-C 3.55Å; T276-G280 WeakPolarHBondContact O-CA 3.47Å; T276-G280 PolarHBondContact O-N 3.05Å; G280-G286 VanDerWaalsContact CA-O 3.32Å; G280-G286 WeakPolarHBondContact CA-O 3.49Å
281G89.5Confident91.9Very high14 Ų1432.8 Ų32.814%0.14423%0.226CC..EExtended strand (participates in β ladder)trans171.6-163.2-176.500000113.7P285 G286G281-P285 WeakPolarHBondContact O-CA 3.5Å; G281-G286 PolarHBondContact N-O 3.24Å; G281-G286 PolarHBondContact O-N 3.36Å
282G85.4Confident92.1Very high46 Ų4631.4 Ų31.447%0.47422%0.22SC..THydrogen-bonded Turntrans110.5174.8-168.400000112.6R327G282-R327 WeakPolarHBondContact O-CG 3.32Å
283A80.6Confident92.3Very high55 Ų5527 Ų2746%0.45519%0.19SC..THydrogen-bonded Turntrans-67-44.2174.600000110.8
284I80.8Confident92.5Very high52 Ų5226.2 Ų26.227%0.26718%0.182SC..THydrogen-bonded Turntrans-99.4115.3158.1-69.8168000106.2E77 G286 I332E77-I284 HydrophobicContact CG-CD1 4.31Å; E77-I284 WeakPolarHBondContact OE1-CD1 3.4Å; E77-I284 WeakPolarHBondContact OE2-CD1 3.31Å; I284-G286 PolarHBondContact O-N 3.27Å; I284-G286 VanDerWaalsContact O-N 3.11Å; I284-I332 HydrophobicContact CG2-CD1 3.93Å
285P87.2Confident92.6Very high0 Ų023.7 Ų23.70%016%0.164CC..THydrogen-bonded Turntrans-63113.7-174.8-11.517.1000112.2G281 L325 R327 I332 Y334G281-P285 WeakPolarHBondContact O-CA 3.5Å; P285-L325 HydrophobicContact CB-CB 3.47Å; P285-L325 VanDerWaalsContact CB-CB 3.47Å; P285-L325 HydrophobicContact CB-CD1 3.56Å; P285-L325 HydrophobicContact CB-CG 4.16Å; P285-L325 HydrophobicContact CG-CB 3.81Å; P285-R327 HydrophobicContact CB-CG 4.47Å; P285-R327 HydrophobicContact CG-CB 4.06Å; P285-R327 HydrophobicContact CG-CG 3.72Å; P285-I332 HydrophobicContact CG-CB 4.49Å; P285-I332 HydrophobicContact CG-CD1 4.32Å; P285-I332 HydrophobicContact CG-CG1 4.41Å; P285-I332 WeakPolarHBondContact O-CD1 3.48Å; P285-Y334 WeakPolarHBondContact O-CE2 3.46Å; P285-Y334 PolarHBondContact O-OH 3.4Å
286G90.9Very high92.7Very high25 Ų2520.5 Ų20.526%0.25815%0.148SC..EExtended strand (participates in β ladder)trans-81.3163.3166.300000111.9G280 G281 I284G280-G286 VanDerWaalsContact CA-O 3.32Å; G280-G286 WeakPolarHBondContact CA-O 3.49Å; G281-G286 PolarHBondContact N-O 3.24Å; G281-G286 PolarHBondContact O-N 3.36Å; I284-G286 PolarHBondContact O-N 3.27Å; I284-G286 VanDerWaalsContact O-N 3.11Å
287P94.6Very high92.8Very high19 Ų1916.8 Ų16.812%0.12313%0.125CC..EExtended strand (participates in β ladder)trans-67.7146.5177.329.6-34.8000111.7I248 V252 Y334I248-P287 HydrophobicContact CG2-CB 3.77Å; I248-P287 HydrophobicContact CG2-CG 4.06Å; V252-P287 HydrophobicContact CG2-CG 3.58Å; P287-Y334 HydrophobicContact CB-CD1 4.19Å; P287-Y334 HydrophobicContact CB-CE1 4.11Å; P287-Y334 HydrophobicContact CB-CG 4.45Å; P287-Y334 HydrophobicContact CG-CE1 4.44Å
288G95.8Very high93Very high3 Ų314.7 Ų14.73%0.03111%0.108CC..  trans-98.9-177.1169.500000112.8A277 M278 I290 S291 L292A277-G288 CarbonylContact O-C 3.54Å; A277-G288 VanDerWaalsContact O-CA 3.28Å; A277-G288 WeakPolarHBondContact O-CA 3.04Å; M278-G288 CarbonylContact O-C 3.52Å; G288-I290 PolarHBondContact O-N 3.45Å; G288-S291 PolarHBondContact O-N 2.92Å; G288-L292 WeakPolarHBondContact O-CG 3.49Å; G288-L292 PolarHBondContact O-N 2.93Å
289E96.9Very high93.1Very high34 Ų3414.8 Ų14.816%0.15911%0.109CC..Hα-helixtrans-53.5-35.4177.1-67.8-65.7145.300113.3R267 P269 A277 M278 L292 A293 L298R267-E289 IonicContact CZ-OE1 3.41Å; R267-E289 IonicContact CZ-OE2 3.81Å; R267-E289 VanDerWaalsContact CZ-OE2 3.25Å; R267-E289 IonicContact NE-OE1 3.77Å; R267-E289 IonicContact NE-OE2 3.14Å; R267-E289 PolarHBondContact NE-OE2 2.77Å; R267-E289 IonicContact NH2-OE1 3.48Å; R267-E289 PolarHBondContact NH2-OE1 3.24Å; R267-E289 IonicContact NH2-OE2 2.86Å; R267-E289 PolarHBondContact NH2-OE2 2.91Å; P269-E289 HydrophobicContact CB-CG 3.99Å; P269-E289 HydrophobicContact CG-CB 4.4Å; P269-E289 HydrophobicContact CG-CG 4.32Å; A277-E289 PolarHBondContact O-N 2.8Å; M278-E289 HydrophobicContact CE-CB 4.43Å; M278-E289 PolarHBondContact O-N 3.21Å; M278-E289 VanDerWaalsContact O-N 3.14Å; M278-E289 HydrophobicContact SD-CB 3.92Å; M278-E289 HydrophobicContact SD-CG 4.09Å; E289-L292 PolarHBondContact O-N 3.4Å; E289-A293 WeakPolarHBondContact O-CB 3.43Å; E289-A293 PolarHBondContact O-N 3.5Å; E289-L298 HydrophobicContact CB-CD1 4.37Å
290I96.8Very high93.2Very high0 Ų013.8 Ų13.80%010%0.103CC..Hα-helixtrans-60.9-48.1176.5-69.5166.1000111.7M278 V279 G288 A293 L298 L314 P317 I323 A336 F338M278-I290 WeakPolarHBondContact O-CB 3.16Å; M278-I290 WeakPolarHBondContact O-CD1 3.46Å; M278-I290 VanDerWaalsContact O-CG1 3.26Å; M278-I290 WeakPolarHBondContact O-CG1 3.11Å; M278-I290 PolarHBondContact O-N 3.09Å; M278-I290 VanDerWaalsContact O-N 3.1Å; V279-I290 HydrophobicContact CG2-CD1 3.98Å; G288-I290 PolarHBondContact O-N 3.45Å; I290-A293 PolarHBondContact O-N 3Å; I290-L298 HydrophobicContact CG1-CD2 4.21Å; I290-L314 HydrophobicContact CD1-CD2 3.21Å; I290-L314 HydrophobicContact CG1-CD2 3.53Å; I290-P317 HydrophobicContact CD1-CG 4.41Å; I290-P317 HydrophobicContact CG2-CB 3.92Å; I290-P317 HydrophobicContact CG2-CG 4.38Å; I290-I323 HydrophobicContact CD1-CD1 4.03Å; I290-A336 HydrophobicContact CG2-CB 3.5Å; I290-A336 VanDerWaalsContact CG2-CB 3.5Å; I290-F338 HydrophobicContact CB-CE1 4.26Å; I290-F338 HydrophobicContact CG1-CE1 4.38Å; I290-F338 HydrophobicContact CG2-CD1 3.77Å; I290-F338 HydrophobicContact CG2-CE1 3.36Å; I290-F338 HydrophobicContact CG2-CZ 4.3Å
291S97Very high93.3Very high0 Ų015.7 Ų15.70%011%0.112CC..Hα-helixtrans-72.2-35.5178.7-57.80000111.4I248 G288 A293 H294 I323 Y334I248-S291 VanDerWaalsContact CD1-O 3.3Å; I248-S291 WeakPolarHBondContact CD1-O 3.35Å; G288-S291 PolarHBondContact O-N 2.92Å; S291-A293 PolarHBondContact O-N 3.41Å; S291-H294 WeakPolarHBondContact O-CB 3.47Å; S291-H294 PolarHBondContact O-N 2.91Å; S291-H294 VanDerWaalsContact O-N 3.11Å; S291-I323 WeakPolarHBondContact OG-CG2 3.03Å; S291-Y334 WeakPolarHBondContact OG-CB 3.31Å
292L96.6Very high93.5Very high23 Ų2318.9 Ų18.912%0.1212%0.124CC..Hα-helixtrans-66.6-22.2174.2-68.4167.3000112.7I248 L249 V252 P265 R267 G288 E289 H294I248-L292 HydrophobicContact CG2-CD2 4.08Å; L249-L292 HydrophobicContact CD1-CD2 4.43Å; V252-L292 HydrophobicContact CG2-CD2 4.31Å; P265-L292 VanDerWaalsContact CB-O 3.25Å; P265-L292 WeakPolarHBondContact CB-O 3.33Å; R267-L292 HydrophobicContact CG-CB 4.25Å; G288-L292 WeakPolarHBondContact O-CG 3.49Å; G288-L292 PolarHBondContact O-N 2.93Å; E289-L292 PolarHBondContact O-N 3.4Å; L292-H294 VanDerWaalsContact C-N 3.31Å
293A96.7Very high93.9Very high0 Ų016.7 Ų16.70%010%0.101CC..THydrogen-bonded Turntrans-86.23.6173.700000113.5R267 E289 I290 S291 N295 G296 L298 F338R267-A293 HydrophobicContact CB-CB 4.06Å; R267-A293 HydrophobicContact CG-CB 3.68Å; E289-A293 WeakPolarHBondContact O-CB 3.43Å; E289-A293 PolarHBondContact O-N 3.5Å; I290-A293 PolarHBondContact O-N 3Å; S291-A293 PolarHBondContact O-N 3.41Å; A293-N295 PolarHBondContact O-N 3.36Å; A293-G296 CarbonylContact O-C 3.51Å; A293-G296 WeakPolarHBondContact O-CA 3.32Å; A293-G296 PolarHBondContact O-N 3.33Å; A293-L298 HydrophobicContact CB-CB 3.95Å; A293-L298 HydrophobicContact CB-CD1 4.37Å; A293-F338 HydrophobicContact CB-CB 3.72Å; A293-F338 HydrophobicContact CB-CG 4.33Å; A293-F338 VanDerWaalsContact O-CB 3.29Å; A293-F338 WeakPolarHBondContact O-CB 3.21Å
294H97.2Very high94.5Very high1 Ų114.1 Ų14.11%0.0058%0.079CC..THydrogen-bonded Turntrans-57.6133.9-177.6-178.545.7000112.4E244 S245 I248 S291 L292 G296 P335 R337E244-H294 IonicContact OE2-NE2 3.77Å; E244-H294 PolarHBondContact OE2-NE2 3.32Å; S245-H294 PolarHBondContact OG-O 3.5Å; I248-H294 HydrophobicContact CD1-CB 3.66Å; S291-H294 WeakPolarHBondContact O-CB 3.47Å; S291-H294 PolarHBondContact O-N 2.91Å; S291-H294 VanDerWaalsContact O-N 3.11Å; L292-H294 VanDerWaalsContact C-N 3.31Å; H294-G296 PolarHBondContact O-N 2.89Å; H294-P335 WeakPolarHBondContact NE2-CB 3.46Å; H294-R337 PolarHBondContact ND1-N 3.48Å
295N96Very high95.1Very high10 Ų1015.4 Ų15.45%0.0539%0.085CC..THydrogen-bonded Turntrans60.716.1-172.4-54.6-37.3000113.6L237 E241 R264 A293 R337L237-N295 HydrophobicContact CD2-CB 3.59Å; L237-N295 WeakPolarHBondContact CD2-O 3.46Å; E241-N295 HydrophobicContact CB-CB 4.27Å; E241-N295 WeakPolarHBondContact CB-ND2 3.49Å; E241-N295 PolarHBondContact O-ND2 3.23Å; R264-N295 WeakPolarHBondContact CD-O 3.47Å; R264-N295 WeakPolarHBondContact CG-O 3.38Å; R264-N295 PolarHBondContact NH1-O 3.36Å; A293-N295 PolarHBondContact O-N 3.36Å; N295-R337 WeakPolarHBondContact CA-O 3.26Å; N295-R337 PolarHBondContact N-O 3.34Å
296G95.2Very high95.4Very high4 Ų415.7 Ų15.74%0.0419%0.086CC..SBendtrans-134.9-144.2178.600000111.9P265 A293 H294 Q339P265-G296 CarbonylContact O-C 3.42Å; P265-G296 VanDerWaalsContact O-CA 3.27Å; P265-G296 WeakPolarHBondContact O-CA 3.3Å; A293-G296 CarbonylContact O-C 3.51Å; A293-G296 WeakPolarHBondContact O-CA 3.32Å; A293-G296 PolarHBondContact O-N 3.33Å; H294-G296 PolarHBondContact O-N 2.89Å; G296-Q339 PolarHBondContact O-N 3.02Å
297V96.1Very high95.5Very high0 Ų020.6 Ų20.60%010%0.102CC..EExtended strand (participates in β ladder)trans-123.9130.1-171.91770000110I230 L234 P265 F266 R267 Q339 V341I230-V297 HydrophobicContact CG2-CB 4.4Å; I230-V297 HydrophobicContact CG2-CG1 4.07Å; I230-V297 HydrophobicContact CG2-CG2 3.83Å; L234-V297 HydrophobicContact CD1-CG2 3.69Å; P265-V297 PolarHBondContact O-N 3.1Å; F266-V297 HydrophobicContact CD2-CB 3.87Å; F266-V297 HydrophobicContact CD2-CG1 3.91Å; F266-V297 HydrophobicContact CE2-CB 4.29Å; F266-V297 HydrophobicContact CE2-CG1 3.81Å; R267-V297 PolarHBondContact N-O 2.92Å; V297-Q339 WeakPolarHBondContact CA-O 3.29Å; V297-Q339 HydrophobicContact CG2-CB 4.32Å; V297-V341 HydrophobicContact CG1-CB 4.17Å; V297-V341 HydrophobicContact CG1-CG2 3.79Å
298L97.3Very high95.4Very high0 Ų025.9 Ų25.90%012%0.119CC..EExtended strand (participates in β ladder)trans-100.5110165.7-176.865000108.1R267 P269 M278 E289 I290 A293 L300 L314 F338 Q339 L340 V341R267-L298 HydrophobicContact CB-CD1 3.92Å; P269-L298 HydrophobicContact CG-CD1 4.03Å; M278-L298 HydrophobicContact CE-CD1 4.34Å; M278-L298 HydrophobicContact CE-CD2 4.04Å; E289-L298 HydrophobicContact CB-CD1 4.37Å; I290-L298 HydrophobicContact CG1-CD2 4.21Å; A293-L298 HydrophobicContact CB-CB 3.95Å; A293-L298 HydrophobicContact CB-CD1 4.37Å; L298-L300 HydrophobicContact CD1-CD2 4.34Å; L298-L300 HydrophobicContact CD2-CD2 4.4Å; L298-L300 HydrophobicContact CG-CD2 4.09Å; L298-L300 HydrophobicContact CG-CG 4.5Å; L298-L314 HydrophobicContact CD2-CD1 4.49Å; L298-L314 HydrophobicContact CD2-CD2 4.34Å; L298-F338 HydrophobicContact CB-CB 4.37Å; L298-F338 HydrophobicContact CB-CD2 3.44Å; L298-F338 VanDerWaalsContact CB-CD2 3.44Å; L298-F338 HydrophobicContact CB-CE2 3.96Å; L298-F338 HydrophobicContact CB-CG 4.03Å; L298-F338 HydrophobicContact CD2-CD2 3.98Å; L298-F338 HydrophobicContact CD2-CE2 3.65Å; L298-F338 HydrophobicContact CD2-CZ 4.06Å; L298-F338 HydrophobicContact CG-CD2 4.37Å; L298-F338 HydrophobicContact CG-CE2 4.45Å; L298-Q339 PolarHBondContact N-O 2.81Å; L298-L340 HydrophobicContact CD2-CD1 4.41Å; L298-V341 PolarHBondContact O-N 3.27Å
299F97.2Very high95.2Very high2 Ų235.4 Ų35.41%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-98.7122.6177.8177.6-118.5000111.4T224 A227 F266 R267 S268 D301 V341 A343T224-F299 HydrophobicContact CG2-CE1 3.9Å; T224-F299 HydrophobicContact CG2-CZ 4.28Å; A227-F299 HydrophobicContact CB-CD2 3.55Å; A227-F299 HydrophobicContact CB-CE1 4.5Å; A227-F299 HydrophobicContact CB-CE2 3.31Å; A227-F299 HydrophobicContact CB-CG 4.26Å; A227-F299 HydrophobicContact CB-CZ 3.85Å; F266-F299 HydrophobicContact CE1-CB 3.83Å; F266-F299 HydrophobicContact CE1-CD1 4.17Å; F266-F299 HydrophobicContact CE1-CG 4.3Å; F266-F299 HydrophobicContact CE2-CB 4.01Å; F266-F299 HydrophobicContact CZ-CB 3.39Å; F266-F299 AromaticContact CZ-CD1 3.96Å; F266-F299 HydrophobicContact CZ-CD1 3.96Å; F266-F299 AromaticContact CZ-CG 3.75Å; F266-F299 HydrophobicContact CZ-CG 3.75Å; R267-F299 PolarHBondContact O-N 3.41Å; S268-F299 WeakPolarHBondContact CA-O 3.16Å; S268-F299 WeakPolarHBondContact OG-CD1 3.19Å; F299-D301 HydrophobicContact CE1-CB 3.63Å; F299-D301 HydrophobicContact CZ-CB 3.74Å; F299-V341 CarbonylContact C-O 3.56Å; F299-V341 WeakPolarHBondContact CA-O 3.4Å; F299-V341 HydrophobicContact CD2-CB 4.16Å; F299-V341 HydrophobicContact CD2-CG1 3.93Å; F299-V341 WeakPolarHBondContact CD2-O 3.25Å; F299-V341 HydrophobicContact CE2-CG1 4.38Å; F299-A343 HydrophobicContact CE2-CB 3.96Å; F299-A343 HydrophobicContact CZ-CB 4.02Å
300L96.8Very high95.1Very high0 Ų033.8 Ų33.80%015%0.147CC..EExtended strand (participates in β ladder)trans-113.3101.2176.7-54.8-177.9000109.9P269 M278 L298 L303 F306 L311 L314 L340 V341 A342 A343P269-L300 HydrophobicContact CG-CD2 3.84Å; M278-L300 HydrophobicContact CE-CD2 3.96Å; L298-L300 HydrophobicContact CD1-CD2 4.34Å; L298-L300 HydrophobicContact CD2-CD2 4.4Å; L298-L300 HydrophobicContact CG-CD2 4.09Å; L298-L300 HydrophobicContact CG-CG 4.5Å; L300-L303 HydrophobicContact CB-CD1 3.79Å; L300-L303 HydrophobicContact CD1-CD1 3.72Å; L300-L303 HydrophobicContact CG-CD1 4.42Å; L300-F306 HydrophobicContact CB-CE2 3.94Å; L300-F306 HydrophobicContact CB-CZ 4.17Å; L300-F306 HydrophobicContact CD2-CE1 4.02Å; L300-F306 HydrophobicContact CD2-CE2 4.32Å; L300-F306 HydrophobicContact CD2-CZ 3.69Å; L300-F306 HydrophobicContact CG-CZ 4.43Å; L300-L311 HydrophobicContact CD1-CD2 3.96Å; L300-L314 HydrophobicContact CD1-CD1 3.58Å; L300-L340 HydrophobicContact CD1-CD1 3.84Å; L300-L340 HydrophobicContact CG-CD1 4.06Å; L300-V341 PolarHBondContact N-O 2.89Å; L300-A342 HydrophobicContact CB-CB 4.32Å; L300-A342 VanDerWaalsContact O-CA 3.29Å; L300-A342 WeakPolarHBondContact O-CA 3.26Å; L300-A343 PolarHBondContact O-N 3.37Å
301D94.5Very high95Very high41 Ų4133.9 Ų33.922%0.21915%0.148CC..THydrogen-bonded Turntrans-81.3149.3174.1-149.7-10.5000111.3T224 F299 L303 F306T224-D301 PolarHBondContact OG1-OD2 3.43Å; F299-D301 HydrophobicContact CE1-CB 3.63Å; F299-D301 HydrophobicContact CZ-CB 3.74Å; D301-L303 VanDerWaalsContact C-N 3.31Å; D301-L303 PolarHBondContact O-N 3Å; D301-F306 VanDerWaalsContact O-CE2 3.3Å; D301-F306 WeakPolarHBondContact O-CE2 3.26Å
302E93.1Very high94.8Very high82 Ų8236.1 Ų36.138%0.38316%0.159SC..THydrogen-bonded Turntrans51.947.9-177.6-53.9-174.3139.400112.7H271 P304 E305 A343H271-E302 IonicContact CE1-OE2 3.93Å; H271-E302 PolarHBondContact CE1-OE2 3.35Å; H271-E302 VanDerWaalsContact CE1-OE2 3.27Å; H271-E302 IonicContact ND1-OE2 2.89Å; H271-E302 PolarHBondContact ND1-OE2 2.82Å; E302-P304 VanDerWaalsContact C-N 3.3Å; E302-P304 WeakPolarHBondContact O-CD 3.28Å; E302-E305 HydrophobicContact CB-CB 4.38Å; E302-E305 HydrophobicContact CB-CG 4.07Å; E302-E305 WeakPolarHBondContact O-CB 3.41Å; E302-E305 PolarHBondContact O-N 2.86Å; E302-A343 PolarHBondContact N-O 3.37Å
303L94.4Very high94.6Very high0 Ų036.6 Ų36.60%017%0.167CC..G310 helixtrans-42.4-42.8-170-171.770.4000115.4L214 L300 D301 E305 F306 L311 A342 A343 M344 L371 F375 F379L214-L303 HydrophobicContact CD1-CD2 3.77Å; L300-L303 HydrophobicContact CB-CD1 3.79Å; L300-L303 HydrophobicContact CD1-CD1 3.72Å; L300-L303 HydrophobicContact CG-CD1 4.42Å; D301-L303 VanDerWaalsContact C-N 3.31Å; D301-L303 PolarHBondContact O-N 3Å; L303-E305 PolarHBondContact O-N 2.76Å; L303-F306 PolarHBondContact O-N 2.9Å; L303-L311 HydrophobicContact CD1-CD1 4.42Å; L303-L311 HydrophobicContact CD1-CD2 3.7Å; L303-L311 HydrophobicContact CG-CD1 4.47Å; L303-A342 HydrophobicContact CB-CB 4.41Å; L303-A342 HydrophobicContact CD1-CB 3.93Å; L303-A342 HydrophobicContact CD2-CB 3.89Å; L303-A342 HydrophobicContact CG-CB 4.3Å; L303-A343 PolarHBondContact N-O 3.14Å; L303-M344 HydrophobicContact CB-CB 4.17Å; L303-L371 HydrophobicContact CD2-CD1 3.95Å; L303-L371 HydrophobicContact CD2-CD2 3.98Å; L303-L371 HydrophobicContact CG-CD2 3.8Å; L303-F375 HydrophobicContact CD1-CE1 4.05Å; L303-F375 HydrophobicContact CD1-CZ 4.3Å; L303-F375 HydrophobicContact CD2-CE1 4.08Å; L303-F375 HydrophobicContact CG-CE1 4.39Å; L303-F379 HydrophobicContact CD2-CE2 4.18Å; L303-F379 HydrophobicContact CD2-CZ 4.08Å
304P93.2Very high94.5Very high0 Ų036.6 Ų36.60%017%0.167CC..G310 helixtrans-71.9-7179.6-22.339.2000115.1E302 M344 Y367 R370 L371E302-P304 VanDerWaalsContact C-N 3.3Å; E302-P304 WeakPolarHBondContact O-CD 3.28Å; P304-M344 HydrophobicContact CG-CB 4.06Å; P304-M344 HydrophobicContact CG-CE 4.33Å; P304-M344 HydrophobicContact CG-SD 4.39Å; P304-Y367 HydrophobicContact CB-CD1 4.42Å; P304-Y367 HydrophobicContact CB-CD2 4.02Å; P304-Y367 HydrophobicContact CB-CE1 3.96Å; P304-Y367 HydrophobicContact CB-CE2 3.52Å; P304-Y367 HydrophobicContact CB-CG 4.45Å; P304-Y367 VanDerWaalsContact CB-CZ 3.48Å; P304-Y367 HydrophobicContact CG-CD1 4.38Å; P304-Y367 HydrophobicContact CG-CE1 3.62Å; P304-Y367 HydrophobicContact CG-CE2 4.02Å; P304-Y367 VanDerWaalsContact CG-CZ 3.41Å; P304-Y367 WeakPolarHBondContact CG-OH 3.45Å; P304-R370 WeakPolarHBondContact O-CD 3.5Å; P304-R370 PolarHBondContact O-NH1 2.92Å; P304-L371 HydrophobicContact CG-CD1 4.23Å; P304-L371 HydrophobicContact CG-CD2 4.45Å; P304-L371 HydrophobicContact CG-CG 4.42Å
305E92.7Very high94.4Very high80 Ų8040.6 Ų40.637%0.37418%0.182SC..G310 helixtrans-84.1-14.5173.6-60-50.7147.800113.1H271 E302 L303 R370H271-E305 HydrophobicContact CB-CB 3.88Å; E302-E305 HydrophobicContact CB-CB 4.38Å; E302-E305 HydrophobicContact CB-CG 4.07Å; E302-E305 WeakPolarHBondContact O-CB 3.41Å; E302-E305 PolarHBondContact O-N 2.86Å; L303-E305 PolarHBondContact O-N 2.76Å; E305-R370 IonicContact OE1-NH1 3.95Å; E305-R370 IonicContact OE2-NH1 3.51Å; E305-R370 PolarHBondContact OE2-NH1 2.94Å
306F94.3Very high94.2Very high5 Ų545.8 Ų45.82%0.02221%0.206CC..SBendtrans-69.3148.5170.8-75.3-99.3000111.3H271 L300 D301 L303 R308 L311H271-F306 HydrophobicContact CB-CD1 4.39Å; H271-F306 HydrophobicContact CB-CD2 3.62Å; H271-F306 HydrophobicContact CB-CE1 4.41Å; H271-F306 HydrophobicContact CB-CE2 3.65Å; H271-F306 HydrophobicContact CB-CG 4.02Å; H271-F306 HydrophobicContact CB-CZ 4.05Å; L300-F306 HydrophobicContact CB-CE2 3.94Å; L300-F306 HydrophobicContact CB-CZ 4.17Å; L300-F306 HydrophobicContact CD2-CE1 4.02Å; L300-F306 HydrophobicContact CD2-CE2 4.32Å; L300-F306 HydrophobicContact CD2-CZ 3.69Å; L300-F306 HydrophobicContact CG-CZ 4.43Å; D301-F306 VanDerWaalsContact O-CE2 3.3Å; D301-F306 WeakPolarHBondContact O-CE2 3.26Å; L303-F306 PolarHBondContact O-N 2.9Å; F306-R308 PolarHBondContact O-N 3.14Å; F306-L311 HydrophobicContact CB-CD1 4.07Å; F306-L311 HydrophobicContact CB-CD2 3.7Å; F306-L311 HydrophobicContact CB-CG 3.77Å; F306-L311 HydrophobicContact CG-CD2 4.05Å
307E92.8Very high94.2Very high128 Ų12845.7 Ų45.760%0.59820%0.204SC*.  trans-61.9132170.8-66.9-171.1172.100110.8R309 T310 L311E307-R309 PolarHBondContact O-N 2.79Å; E307-R309 VanDerWaalsContact O-N 3.14Å; E307-T310 WeakPolarHBondContact O-CA 3.29Å; E307-T310 VanDerWaalsContact O-CB 3.29Å; E307-T310 WeakPolarHBondContact O-CB 3.38Å; E307-T310 PolarHBondContact O-N 2.89Å; E307-L311 PolarHBondContact O-N 2.82Å
308R92.1Very high94.2Very high131 Ų13147.3 Ų47.349%0.49421%0.212SC..Hα-helixtrans-52.5-40.6-179.5178.7170174165.9-1.6113.3F306 T310 L311 D312 N369 R370F306-R308 PolarHBondContact O-N 3.14Å; R308-T310 VanDerWaalsContact C-N 3.27Å; R308-T310 PolarHBondContact O-N 3.29Å; R308-L311 PolarHBondContact O-N 2.94Å; R308-D312 WeakPolarHBondContact CG-OD2 3.21Å; R308-D312 IonicContact NE-OD2 3.65Å; R308-D312 WeakPolarHBondContact O-CB 3.39Å; R308-D312 VanDerWaalsContact O-CG 3.32Å; R308-D312 PolarHBondContact O-N 3.4Å; R308-N369 PolarHBondContact NH1-O 2.87Å; R308-R370 WeakPolarHBondContact CG-O 3.34Å
309R92.6Very high94Very high202 Ų20253.2 Ų53.276%0.76224%0.24SC*.Hα-helixtrans-61.8-35177.6-71.8-175.1176.7-175.6-0.3112.6E307 A313E307-R309 PolarHBondContact O-N 2.79Å; E307-R309 VanDerWaalsContact O-N 3.14Å; R309-A313 WeakPolarHBondContact O-CB 3.47Å; R309-A313 PolarHBondContact O-N 3.26Å
310T93.7Very high93.9Very high1 Ų155.5 Ų55.51%0.00626%0.256CS..Hα-helixtrans-69.8-43.8178.3-60.10000111M278 E307 R308 A313M278-T310 HydrophobicContact CB-CG2 3.89Å; M278-T310 HydrophobicContact CG-CG2 3.42Å; M278-T310 VanDerWaalsContact CG-CG2 3.42Å; E307-T310 WeakPolarHBondContact O-CA 3.29Å; E307-T310 VanDerWaalsContact O-CB 3.29Å; E307-T310 WeakPolarHBondContact O-CB 3.38Å; E307-T310 PolarHBondContact O-N 2.89Å; R308-T310 VanDerWaalsContact C-N 3.27Å; R308-T310 PolarHBondContact O-N 3.29Å; T310-A313 PolarHBondContact O-N 2.86Å
311L94.9Very high93.9Very high2 Ų256 Ų561%0.0126%0.262CS..Hα-helixtrans-65.5-45175.3-62.1179.1000112L300 L303 F306 E307 R308 A313 L314 L371 F375L300-L311 HydrophobicContact CD1-CD2 3.96Å; L303-L311 HydrophobicContact CD1-CD1 4.42Å; L303-L311 HydrophobicContact CD1-CD2 3.7Å; L303-L311 HydrophobicContact CG-CD1 4.47Å; F306-L311 HydrophobicContact CB-CD1 4.07Å; F306-L311 HydrophobicContact CB-CD2 3.7Å; F306-L311 HydrophobicContact CB-CG 3.77Å; F306-L311 HydrophobicContact CG-CD2 4.05Å; E307-L311 PolarHBondContact O-N 2.82Å; R308-L311 PolarHBondContact O-N 2.94Å; L311-A313 PolarHBondContact O-N 2.84Å; L311-L314 HydrophobicContact CD2-CD1 4.41Å; L311-L314 WeakPolarHBondContact O-CB 3.25Å; L311-L314 PolarHBondContact O-N 2.88Å; L311-L371 HydrophobicContact CD1-CD2 3.46Å; L311-L371 VanDerWaalsContact CD1-CD2 3.46Å; L311-F375 HydrophobicContact CB-CD1 4.28Å; L311-F375 HydrophobicContact CB-CE1 4.16Å; L311-F375 HydrophobicContact CB-CG 4.49Å; L311-F375 HydrophobicContact CB-CZ 4.29Å; L311-F375 HydrophobicContact CD1-CE1 4.32Å; L311-F375 HydrophobicContact CD2-CE1 4.19Å; L311-F375 HydrophobicContact CD2-CZ 4.11Å; L311-F375 HydrophobicContact CG-CE1 4.47Å; L311-F375 WeakPolarHBondContact O-CD2 3.28Å
312D93Very high94Very high47 Ų4757.7 Ų57.725%0.25127%0.268SS..Hα-helixtrans-61.2-29.9179.2-75.9-26.4000112R308 L314 R315 S372R308-D312 WeakPolarHBondContact CG-OD2 3.21Å; R308-D312 IonicContact NE-OD2 3.65Å; R308-D312 WeakPolarHBondContact O-CB 3.39Å; R308-D312 VanDerWaalsContact O-CG 3.32Å; R308-D312 PolarHBondContact O-N 3.4Å; D312-L314 VanDerWaalsContact C-N 3.26Å; D312-L314 PolarHBondContact O-N 3.42Å; D312-R315 WeakPolarHBondContact O-CB 3.47Å; D312-R315 WeakPolarHBondContact O-CG 3.4Å; D312-R315 PolarHBondContact O-N 3.4Å; D312-S372 VanDerWaalsContact OD1-CB 3.24Å; D312-S372 WeakPolarHBondContact OD1-CB 3.44Å; D312-S372 PolarHBondContact OD1-OG 3.12Å
313A93.2Very high94.1Very high33 Ų3354.3 Ų54.327%0.27325%0.253SS..THydrogen-bonded Turntrans-70.8-16.5176.100000114L275 V279 R309 T310 L311 R315 P317L275-A313 HydrophobicContact CD1-CB 3.56Å; V279-A313 HydrophobicContact CG2-CB 3.97Å; R309-A313 WeakPolarHBondContact O-CB 3.47Å; R309-A313 PolarHBondContact O-N 3.26Å; T310-A313 PolarHBondContact O-N 2.86Å; L311-A313 PolarHBondContact O-N 2.84Å; A313-R315 VanDerWaalsContact C-N 3.32Å; A313-P317 VanDerWaalsContact O-CD 3.22Å; A313-P317 WeakPolarHBondContact O-CD 3.18Å
314L94.8Very high94Very high0 Ų058.9 Ų58.90%027%0.274CS..THydrogen-bonded Turntrans-75.9-20.5176.8-56.7-178.2000112.8M278 I290 L298 L300 L311 D312 E316 P317 I318 F375M278-L314 HydrophobicContact CE-CD2 4.1Å; I290-L314 HydrophobicContact CD1-CD2 3.21Å; I290-L314 HydrophobicContact CG1-CD2 3.53Å; L298-L314 HydrophobicContact CD2-CD1 4.49Å; L298-L314 HydrophobicContact CD2-CD2 4.34Å; L300-L314 HydrophobicContact CD1-CD1 3.58Å; L311-L314 HydrophobicContact CD2-CD1 4.41Å; L311-L314 WeakPolarHBondContact O-CB 3.25Å; L311-L314 PolarHBondContact O-N 2.88Å; D312-L314 VanDerWaalsContact C-N 3.26Å; D312-L314 PolarHBondContact O-N 3.42Å; L314-E316 PolarHBondContact O-N 2.76Å; L314-P317 VanDerWaalsContact O-CD 3.31Å; L314-P317 WeakPolarHBondContact O-CD 3.36Å; L314-I318 HydrophobicContact CB-CD1 4.01Å; L314-I318 WeakPolarHBondContact O-CD1 3.37Å; L314-I318 WeakPolarHBondContact O-CG1 3.45Å; L314-I318 PolarHBondContact O-N 3.26Å; L314-F375 HydrophobicContact CB-CE2 4.02Å; L314-F375 HydrophobicContact CD1-CE2 4.04Å; L314-F375 HydrophobicContact CD1-CZ 4.23Å
315R94.4Very high94Very high85 Ų8559.1 Ų59.132%0.32128%0.276SS..Hα-helixtrans-58.2-47.3-172.2-67.9173.158.9-141.2-9.4113.1D312 A313 E319 P374 F375D312-R315 WeakPolarHBondContact O-CB 3.47Å; D312-R315 WeakPolarHBondContact O-CG 3.4Å; D312-R315 PolarHBondContact O-N 3.4Å; A313-R315 VanDerWaalsContact C-N 3.32Å; R315-E319 PolarHBondContact O-N 3.14Å; R315-P374 VanDerWaalsContact CZ-CB 3.43Å; R315-P374 PolarHBondContact NE-O 3.06Å; R315-F375 HydrophobicContact CG-CB 4.27Å; R315-F375 HydrophobicContact CG-CD2 4.06Å
316E92.8Very high93.8Very high118 Ų11858.8 Ų58.855%0.55128%0.282SS*.Hα-helixtrans-68.2-46.2-179.6170.7-177.5-172.400112.3L314 I318 E319 S320L314-E316 PolarHBondContact O-N 2.76Å; E316-I318 VanDerWaalsContact C-N 3.34Å; E316-I318 PolarHBondContact O-N 2.79Å; E316-E319 PolarHBondContact O-N 3.04Å; E316-S320 WeakPolarHBondContact O-CB 3.18Å; E316-S320 PolarHBondContact O-N 2.94Å; E316-S320 PolarHBondContact O-OG 3.14Å
317P95.2Very high93.4Very high2 Ų263.5 Ų63.51%0.01330%0.3CS..Hα-helixtrans-58.9-38173.8-29.835.4000115I290 A313 L314 E319 G321 I323 A336 F338I290-P317 HydrophobicContact CD1-CG 4.41Å; I290-P317 HydrophobicContact CG2-CB 3.92Å; I290-P317 HydrophobicContact CG2-CG 4.38Å; A313-P317 VanDerWaalsContact O-CD 3.22Å; A313-P317 WeakPolarHBondContact O-CD 3.18Å; L314-P317 VanDerWaalsContact O-CD 3.31Å; L314-P317 WeakPolarHBondContact O-CD 3.36Å; P317-E319 VanDerWaalsContact C-N 3.28Å; P317-E319 PolarHBondContact O-N 2.86Å; P317-G321 VanDerWaalsContact O-CA 3.31Å; P317-G321 WeakPolarHBondContact O-CA 3.32Å; P317-G321 PolarHBondContact O-N 3.42Å; P317-I323 HydrophobicContact CG-CB 4.25Å; P317-I323 HydrophobicContact CG-CD1 3.68Å; P317-I323 HydrophobicContact CG-CG1 4.13Å; P317-A336 HydrophobicContact CB-CB 4.2Å; P317-F338 HydrophobicContact CB-CE1 3.95Å; P317-F338 HydrophobicContact CB-CZ 4.46Å
318I95.4Very high92.7Very high34 Ų3464 Ų6417%0.17431%0.312CS..Hα-helixtrans-61.5-38.9178.2-68.4161.3000111N212 L314 E316 F338 L340 F375 R378N212-I318 WeakPolarHBondContact ND2-CG2 3.41Å; L314-I318 HydrophobicContact CB-CD1 4.01Å; L314-I318 WeakPolarHBondContact O-CD1 3.37Å; L314-I318 WeakPolarHBondContact O-CG1 3.45Å; L314-I318 PolarHBondContact O-N 3.26Å; E316-I318 VanDerWaalsContact C-N 3.34Å; E316-I318 PolarHBondContact O-N 2.79Å; I318-F338 HydrophobicContact CG1-CE2 3.92Å; I318-F338 HydrophobicContact CG1-CZ 3.63Å; I318-L340 HydrophobicContact CD1-CD2 3.75Å; I318-F375 HydrophobicContact CD1-CE2 4.34Å; I318-R378 HydrophobicContact CD1-CB 4.18Å; I318-R378 HydrophobicContact CD1-CG 4.4Å; I318-R378 HydrophobicContact CG2-CB 4.39Å
319E93Very high92Very high124 Ų12464.3 Ų64.358%0.57931%0.313SS*.Hα-helixtrans-82.8-46-179-70171.2-145.900113R315 E316 P317 R378R315-E319 PolarHBondContact O-N 3.14Å; E316-E319 PolarHBondContact O-N 3.04Å; P317-E319 VanDerWaalsContact C-N 3.28Å; P317-E319 PolarHBondContact O-N 2.86Å; E319-R378 IonicContact OE1-CZ 3.85Å; E319-R378 IonicContact OE1-NE 3.94Å; E319-R378 PolarHBondContact OE1-NE 3.45Å; E319-R378 IonicContact OE1-NH2 2.62Å; E319-R378 PolarHBondContact OE1-NH2 2.81Å
320S95.7Very high91.5Very high50 Ų5055.3 Ų55.335%0.3528%0.281SS..Hα-helixtrans-85-19-172.366.40000113.2E316 Q322E316-S320 WeakPolarHBondContact O-CB 3.18Å; E316-S320 PolarHBondContact O-N 2.94Å; E316-S320 PolarHBondContact O-OG 3.14Å; S320-Q322 PolarHBondContact O-N 3.39Å; S320-Q322 PolarHBondContact OG-N 2.91Å; S320-Q322 PolarHBondContact OG-O 2.73Å
321G95.8Very high91.3Very high12 Ų1263.6 Ų63.612%0.12432%0.317CS..SBendtrans66.217.2-174.300000113.8P317 A336 R337P317-G321 VanDerWaalsContact O-CA 3.31Å; P317-G321 WeakPolarHBondContact O-CA 3.32Å; P317-G321 PolarHBondContact O-N 3.42Å; G321-A336 CarbonylContact O-C 3.4Å; G321-A336 PolarHBondContact O-N 3.43Å; G321-R337 PolarHBondContact O-N 3.39Å
322Q96.3Very high91.2Very high75 Ų7563.7 Ų63.735%0.3532%0.318SS..EExtended strand (participates in β ladder)trans-149.8164.318062.8-174-25.500111.2S320 H324 T333 Y334S320-Q322 PolarHBondContact O-N 3.39Å; S320-Q322 PolarHBondContact OG-N 2.91Å; S320-Q322 PolarHBondContact OG-O 2.73Å; Q322-H324 PolarHBondContact OE1-CE1 2.89Å; Q322-T333 HydrophobicContact CB-CG2 4.07Å; Q322-T333 HydrophobicContact CG-CG2 4.46Å; Q322-Y334 CarbonylContact C-O 3.55Å; Q322-Y334 VanDerWaalsContact CA-O 3.31Å; Q322-Y334 WeakPolarHBondContact CA-O 3.11Å
323I94.8Very high91.2Very high12 Ų1263.7 Ų63.76%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-134.9128.7175.8-165.1157.1000111V279 I290 S291 P317 L325 T333 Y334V279-I323 HydrophobicContact CB-CD1 4Å; V279-I323 HydrophobicContact CG1-CD1 3.55Å; V279-I323 HydrophobicContact CG1-CG1 4.28Å; V279-I323 HydrophobicContact CG2-CD1 4.01Å; I290-I323 HydrophobicContact CD1-CD1 4.03Å; S291-I323 WeakPolarHBondContact OG-CG2 3.03Å; P317-I323 HydrophobicContact CG-CB 4.25Å; P317-I323 HydrophobicContact CG-CD1 3.68Å; P317-I323 HydrophobicContact CG-CG1 4.13Å; I323-L325 HydrophobicContact CG1-CD2 4.31Å; I323-T333 WeakPolarHBondContact O-CA 3.33Å; I323-Y334 PolarHBondContact N-O 3.19Å; I323-Y334 PolarHBondContact O-N 3.31Å
324H93.5Very high91.3Very high95 Ų9562.3 Ų62.344%0.4431%0.307SS..EExtended strand (participates in β ladder)trans-100.9114.2-177.7-59.6-62000110.6Q322 T333Q322-H324 PolarHBondContact OE1-CE1 2.89Å; H324-T333 VanDerWaalsContact CE1-CG2 3.47Å; H324-T333 WeakPolarHBondContact CE1-CG2 3.22Å; H324-T333 PolarHBondContact CE1-OG1 3.22Å; H324-T333 WeakPolarHBondContact ND1-CG2 3.31Å; H324-T333 PolarHBondContact ND1-OG1 3Å
325L92.1Very high91.4Very high6 Ų663.7 Ų63.73%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-107.2108.6179.1-57.9179.9000110V279 P285 I323 K331 I332 Y334V279-L325 HydrophobicContact CG1-CD2 3.46Å; V279-L325 VanDerWaalsContact CG1-CD2 3.46Å; P285-L325 HydrophobicContact CB-CB 3.47Å; P285-L325 VanDerWaalsContact CB-CB 3.47Å; P285-L325 HydrophobicContact CB-CD1 3.56Å; P285-L325 HydrophobicContact CB-CG 4.16Å; P285-L325 HydrophobicContact CG-CB 3.81Å; I323-L325 HydrophobicContact CG1-CD2 4.31Å; L325-K331 WeakPolarHBondContact O-CA 3.29Å; L325-I332 PolarHBondContact N-O 2.89Å; L325-I332 PolarHBondContact O-N 2.91Å; L325-Y334 HydrophobicContact CD1-CD2 3.87Å; L325-Y334 HydrophobicContact CD1-CE2 3.89Å
326S89Confident91.5Very high72 Ų7259.7 Ų59.750%0.50330%0.301SS..EExtended strand (participates in β ladder)trans-103120.5173-1720000110.2
327R86.3Confident91.7Very high105 Ų10561.6 Ų61.640%0.39630%0.303SS..  trans-131.7174.5175.9-65.8-69.5-176.9-90.3-1.5110G282 P285 R329 A330G282-R327 WeakPolarHBondContact O-CG 3.32Å; P285-R327 HydrophobicContact CB-CG 4.47Å; P285-R327 HydrophobicContact CG-CB 4.06Å; P285-R327 HydrophobicContact CG-CG 3.72Å; R327-R329 VanDerWaalsContact C-N 3.26Å; R327-R329 PolarHBondContact O-N 3.15Å; R327-A330 PolarHBondContact N-O 3.28Å
328T77.8Confident91.7Very high139 Ų13962.2 Ų62.285%0.85331%0.306SS*.SBendtrans-60.6-32.7-173.848.10000113.5
329R78Confident91.7Very high137 Ų13761.4 Ų61.452%0.51730%0.301SS..SBendtrans-100.5-24.9-176.9-63.7-171.3177.8-168.5-4.3115E77 R327E77-R329 IonicContact OE1-NH1 2.73Å; R327-R329 VanDerWaalsContact C-N 3.26Å; R327-R329 PolarHBondContact O-N 3.15Å
330A82.5Confident91.9Very high12 Ų1255.5 Ų55.510%0.09927%0.274CS..  trans-155.1155-174.700000112.5R327 I332R327-A330 PolarHBondContact N-O 3.28Å; A330-I332 HydrophobicContact CB-CD1 4.36Å; A330-I332 HydrophobicContact CB-CG1 4.27Å
331K89Confident92Very high175 Ų17553.1 Ų53.176%0.76126%0.257SS*.EExtended strand (participates in β ladder)trans-116.4120.7168.2-65.5179-179.9178.60107.7L325L325-K331 WeakPolarHBondContact O-CA 3.29Å
332I91.7Very high92.1Very high4 Ų452.6 Ų52.62%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-131.3136.8-176-58178.5000108.6I284 P285 L325 A330 Y334I284-I332 HydrophobicContact CG2-CD1 3.93Å; P285-I332 HydrophobicContact CG-CB 4.49Å; P285-I332 HydrophobicContact CG-CD1 4.32Å; P285-I332 HydrophobicContact CG-CG1 4.41Å; P285-I332 WeakPolarHBondContact O-CD1 3.48Å; L325-I332 PolarHBondContact N-O 2.89Å; L325-I332 PolarHBondContact O-N 2.91Å; A330-I332 HydrophobicContact CB-CD1 4.36Å; A330-I332 HydrophobicContact CB-CG1 4.27Å; I332-Y334 HydrophobicContact CB-CE2 4.21Å; I332-Y334 HydrophobicContact CG2-CD2 3.96Å; I332-Y334 HydrophobicContact CG2-CE1 4.17Å; I332-Y334 HydrophobicContact CG2-CE2 3.48Å; I332-Y334 VanDerWaalsContact CG2-CE2 3.48Å; I332-Y334 HydrophobicContact CG2-CG 4.48Å
333T94.3Very high92.1Very high47 Ų4749 Ų4929%0.28824%0.235SC..EExtended strand (participates in β ladder)trans-108.2128.1170.6-57.30000108.2Q322 I323 H324Q322-T333 HydrophobicContact CB-CG2 4.07Å; Q322-T333 HydrophobicContact CG-CG2 4.46Å; I323-T333 WeakPolarHBondContact O-CA 3.33Å; H324-T333 VanDerWaalsContact CE1-CG2 3.47Å; H324-T333 WeakPolarHBondContact CE1-CG2 3.22Å; H324-T333 PolarHBondContact CE1-OG1 3.22Å; H324-T333 WeakPolarHBondContact ND1-CG2 3.31Å; H324-T333 PolarHBondContact ND1-OG1 3Å
334Y95.7Very high92.1Very high4 Ų448.7 Ų48.72%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-109.9140.9170.9-69-78.1000109.7G13 V14 L251 P285 P287 S291 Q322 I323 L325 I332G13-Y334 WeakPolarHBondContact CA-OH 3.48Å; V14-Y334 HydrophobicContact CG1-CD1 3.98Å; V14-Y334 HydrophobicContact CG1-CE1 4.18Å; V14-Y334 HydrophobicContact CG2-CD1 4.26Å; L251-Y334 HydrophobicContact CD1-CE1 3.85Å; P285-Y334 WeakPolarHBondContact O-CE2 3.46Å; P285-Y334 PolarHBondContact O-OH 3.4Å; P287-Y334 HydrophobicContact CB-CD1 4.19Å; P287-Y334 HydrophobicContact CB-CE1 4.11Å; P287-Y334 HydrophobicContact CB-CG 4.45Å; P287-Y334 HydrophobicContact CG-CE1 4.44Å; S291-Y334 WeakPolarHBondContact OG-CB 3.31Å; Q322-Y334 CarbonylContact C-O 3.55Å; Q322-Y334 VanDerWaalsContact CA-O 3.31Å; Q322-Y334 WeakPolarHBondContact CA-O 3.11Å; I323-Y334 PolarHBondContact N-O 3.19Å; I323-Y334 PolarHBondContact O-N 3.31Å; L325-Y334 HydrophobicContact CD1-CD2 3.87Å; L325-Y334 HydrophobicContact CD1-CE2 3.89Å; I332-Y334 HydrophobicContact CB-CE2 4.21Å; I332-Y334 HydrophobicContact CG2-CD2 3.96Å; I332-Y334 HydrophobicContact CG2-CE1 4.17Å; I332-Y334 HydrophobicContact CG2-CE2 3.48Å; I332-Y334 VanDerWaalsContact CG2-CE2 3.48Å; I332-Y334 HydrophobicContact CG2-CG 4.48Å
335P96.2Very high92Very high30 Ų3045.7 Ų45.720%0.19522%0.22CC..EExtended strand (participates in β ladder)trans-69.1148.9169.334.1-36.9000109.8I248 H294I248-P335 HydrophobicContact CD1-CG 3.7Å; I248-P335 HydrophobicContact CG1-CG 4.4Å; H294-P335 WeakPolarHBondContact NE2-CB 3.46Å
336A96.7Very high91.8Very high0 Ų045.4 Ų45.40%022%0.219CC..  trans-151.636.4-169.400000111.4I290 P317 G321 F338I290-A336 HydrophobicContact CG2-CB 3.5Å; I290-A336 VanDerWaalsContact CG2-CB 3.5Å; P317-A336 HydrophobicContact CB-CB 4.2Å; G321-A336 CarbonylContact O-C 3.4Å; G321-A336 PolarHBondContact O-N 3.43Å; A336-F338 VanDerWaalsContact C-N 3.25Å; A336-F338 HydrophobicContact CB-CD1 4.38Å; A336-F338 HydrophobicContact CB-CE1 4.46Å; A336-F338 WeakPolarHBondContact O-CD1 3.39Å; A336-F338 WeakPolarHBondContact O-CE1 3.45Å; A336-F338 PolarHBondContact O-N 3.18Å
337R96.1Very high91.7Very high158 Ų15842 Ų4260%0.59620%0.195SC*.  trans-75.174.4173.1-54.8179.9-168.2154.63.7110.8H294 N295 G321H294-R337 PolarHBondContact ND1-N 3.48Å; N295-R337 WeakPolarHBondContact CA-O 3.26Å; N295-R337 PolarHBondContact N-O 3.34Å; G321-R337 PolarHBondContact O-N 3.39Å
338F96.5Very high91.5Very high16 Ų1640.5 Ų40.57%0.0720%0.199CC..  trans-105150175.663.9-88.4000110.2I290 A293 L298 P317 I318 A336 L340I290-F338 HydrophobicContact CB-CE1 4.26Å; I290-F338 HydrophobicContact CG1-CE1 4.38Å; I290-F338 HydrophobicContact CG2-CD1 3.77Å; I290-F338 HydrophobicContact CG2-CE1 3.36Å; I290-F338 HydrophobicContact CG2-CZ 4.3Å; A293-F338 HydrophobicContact CB-CB 3.72Å; A293-F338 HydrophobicContact CB-CG 4.33Å; A293-F338 VanDerWaalsContact O-CB 3.29Å; A293-F338 WeakPolarHBondContact O-CB 3.21Å; L298-F338 HydrophobicContact CB-CB 4.37Å; L298-F338 HydrophobicContact CB-CD2 3.44Å; L298-F338 VanDerWaalsContact CB-CD2 3.44Å; L298-F338 HydrophobicContact CB-CE2 3.96Å; L298-F338 HydrophobicContact CB-CG 4.03Å; L298-F338 HydrophobicContact CD2-CD2 3.98Å; L298-F338 HydrophobicContact CD2-CE2 3.65Å; L298-F338 HydrophobicContact CD2-CZ 4.06Å; L298-F338 HydrophobicContact CG-CD2 4.37Å; L298-F338 HydrophobicContact CG-CE2 4.45Å; P317-F338 HydrophobicContact CB-CE1 3.95Å; P317-F338 HydrophobicContact CB-CZ 4.46Å; I318-F338 HydrophobicContact CG1-CE2 3.92Å; I318-F338 HydrophobicContact CG1-CZ 3.63Å; A336-F338 VanDerWaalsContact C-N 3.25Å; A336-F338 HydrophobicContact CB-CD1 4.38Å; A336-F338 HydrophobicContact CB-CE1 4.46Å; A336-F338 WeakPolarHBondContact O-CD1 3.39Å; A336-F338 WeakPolarHBondContact O-CE1 3.45Å; A336-F338 PolarHBondContact O-N 3.18Å; F338-L340 HydrophobicContact CD2-CB 4.44Å; F338-L340 HydrophobicContact CE2-CB 4.1Å; F338-L340 HydrophobicContact CE2-CD1 4.3Å
339Q95.9Very high91.7Very high17 Ų1736.2 Ų36.28%0.07917%0.172CC..EExtended strand (participates in β ladder)trans-85.7126.9166.8-175.3172.23400109.1T206 G210 H211 G296 V297 L298T206-Q339 PolarHBondContact O-NE2 3.23Å; G210-Q339 VanDerWaalsContact C-NE2 3.26Å; H211-Q339 WeakPolarHBondContact O-CG 2.94Å; H211-Q339 PolarHBondContact O-NE2 2.87Å; G296-Q339 PolarHBondContact O-N 3.02Å; V297-Q339 WeakPolarHBondContact CA-O 3.29Å; V297-Q339 HydrophobicContact CG2-CB 4.32Å; L298-Q339 PolarHBondContact N-O 2.81Å
340L97.2Very high91.6Very high0 Ų029.8 Ų29.80%015%0.149CC..EExtended strand (participates in β ladder)trans-87.7120.6178.9-178.465000110.3N212 L213 L298 L300 I318 F338 F375 F379N212-L340 CarbonylContact C-O 3.55Å; N212-L340 VanDerWaalsContact CA-O 3.25Å; N212-L340 WeakPolarHBondContact CA-O 3.33Å; N212-L340 HydrophobicContact CB-CB 4.22Å; N212-L340 WeakPolarHBondContact OD1-CB 3.46Å; N212-L340 PolarHBondContact OD1-N 3.37Å; L213-L340 PolarHBondContact N-O 2.85Å; L298-L340 HydrophobicContact CD2-CD1 4.41Å; L300-L340 HydrophobicContact CD1-CD1 3.84Å; L300-L340 HydrophobicContact CG-CD1 4.06Å; I318-L340 HydrophobicContact CD1-CD2 3.75Å; F338-L340 HydrophobicContact CD2-CB 4.44Å; F338-L340 HydrophobicContact CE2-CB 4.1Å; F338-L340 HydrophobicContact CE2-CD1 4.3Å; L340-F375 HydrophobicContact CD2-CE2 4.07Å; L340-F375 HydrophobicContact CD2-CZ 3.98Å; L340-F379 HydrophobicContact CD2-CD1 4.44Å; L340-F379 HydrophobicContact CD2-CE1 3.64Å; L340-F379 HydrophobicContact CD2-CE2 4.29Å; L340-F379 HydrophobicContact CD2-CZ 3.55Å; L340-F379 HydrophobicContact CG-CE1 3.81Å; L340-F379 HydrophobicContact CG-CZ 4.1Å
341V97.3Very high91.2Very high0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-119.4132.1168.8-177.10000107.9L213 A227 I230 V297 L298 F299 L300L213-V341 HydrophobicContact CB-CG1 4.49Å; L213-V341 HydrophobicContact CD2-CG1 4.4Å; L213-V341 CarbonylContact O-C 3.59Å; L213-V341 WeakPolarHBondContact O-CA 3.49Å; A227-V341 HydrophobicContact CB-CG1 3.85Å; I230-V341 HydrophobicContact CD1-CG2 3.76Å; V297-V341 HydrophobicContact CG1-CB 4.17Å; V297-V341 HydrophobicContact CG1-CG2 3.79Å; L298-V341 PolarHBondContact O-N 3.27Å; F299-V341 CarbonylContact C-O 3.56Å; F299-V341 WeakPolarHBondContact CA-O 3.4Å; F299-V341 HydrophobicContact CD2-CB 4.16Å; F299-V341 HydrophobicContact CD2-CG1 3.93Å; F299-V341 WeakPolarHBondContact CD2-O 3.25Å; F299-V341 HydrophobicContact CE2-CG1 4.38Å; L300-V341 PolarHBondContact N-O 2.89Å
342A97.2Very high89.9Confident0 Ų027.1 Ų27.10%013%0.134CC..EExtended strand (participates in β ladder)trans-134.3152179.100000111.4L213 L214 L215 L300 L303 F379L213-A342 PolarHBondContact O-N 3.49Å; L214-A342 HydrophobicContact CD1-CB 3.86Å; L215-A342 PolarHBondContact N-O 3.28Å; L300-A342 HydrophobicContact CB-CB 4.32Å; L300-A342 VanDerWaalsContact O-CA 3.29Å; L300-A342 WeakPolarHBondContact O-CA 3.26Å; L303-A342 HydrophobicContact CB-CB 4.41Å; L303-A342 HydrophobicContact CD1-CB 3.93Å; L303-A342 HydrophobicContact CD2-CB 3.89Å; L303-A342 HydrophobicContact CG-CB 4.3Å; A342-F379 HydrophobicContact CB-CE1 3.66Å; A342-F379 HydrophobicContact CB-CZ 3.58Å
343A95.8Very high88.5Confident0 Ų035 Ų350%017%0.17CC..EExtended strand (participates in β ladder)trans-126.8141.9172.800000110.3L215 K223 F299 L300 E302 L303L215-A343 HydrophobicContact CB-CB 4.33Å; L215-A343 CarbonylContact O-C 3.56Å; L215-A343 VanDerWaalsContact O-CA 3.32Å; L215-A343 WeakPolarHBondContact O-CA 3.41Å; K223-A343 HydrophobicContact CB-CB 3.86Å; K223-A343 HydrophobicContact CD-CB 4.22Å; F299-A343 HydrophobicContact CE2-CB 3.96Å; F299-A343 HydrophobicContact CZ-CB 4.02Å; L300-A343 PolarHBondContact O-N 3.37Å; E302-A343 PolarHBondContact N-O 3.37Å; L303-A343 PolarHBondContact N-O 3.14Å
344M94.5Very high86.9Confident6 Ų635.5 Ų35.53%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-147159.3175.463.7178.5-92.400112.5L214 L215 I216 G217 K223 L303 P304 L368 L371L214-M344 HydrophobicContact CD1-CG 3.99Å; L214-M344 HydrophobicContact CD1-SD 4.03Å; L214-M344 HydrophobicContact CD2-SD 4.13Å; L214-M344 HydrophobicContact CG-SD 4.47Å; L215-M344 PolarHBondContact O-N 2.71Å; I216-M344 HydrophobicContact CB-CG 4.5Å; I216-M344 HydrophobicContact CG1-CG 3.93Å; I216-M344 HydrophobicContact CG1-SD 4.34Å; I216-M344 HydrophobicContact CG2-CG 4.48Å; G217-M344 PolarHBondContact N-O 2.89Å; G217-M344 VanDerWaalsContact N-O 3.15Å; K223-M344 WeakPolarHBondContact CE-O 3.42Å; L303-M344 HydrophobicContact CB-CB 4.17Å; P304-M344 HydrophobicContact CG-CB 4.06Å; P304-M344 HydrophobicContact CG-CE 4.33Å; P304-M344 HydrophobicContact CG-SD 4.39Å; M344-L368 HydrophobicContact CE-CD2 3.39Å; M344-L371 HydrophobicContact CE-CD1 4.38Å; M344-L371 HydrophobicContact SD-CD1 3.76Å
345N92.4Very high85Confident31 Ų3142.8 Ų42.817%0.16623%0.225CC..  trans-89.3158.7174.9-72.8-26.3000111.3G217 K223 S347 Y367G217-N345 PolarHBondContact O-OD1 2.88Å; K223-N345 PolarHBondContact NZ-OD1 3.36Å; N345-S347 PolarHBondContact O-N 3.16Å; N345-S347 VanDerWaalsContact O-N 3.12Å; N345-Y367 WeakPolarHBondContact O-CE1 3.29Å
346P87.7Confident83.4Confident0 Ų047 Ų470%024%0.241CC..SBendtrans-20.8-61.5164.345.8-36.8000120.4I216 G217 P218 Y352I216-P346 HydrophobicContact CG2-CB 4.15Å; I216-P346 HydrophobicContact CG2-CG 4.44Å; G217-P346 WeakPolarHBondContact O-CD 3.3Å; P218-P346 HydrophobicContact CG-CG 4.5Å; P346-Y352 HydrophobicContact CB-CD1 3.76Å; P346-Y352 HydrophobicContact CB-CD2 3.3Å; P346-Y352 HydrophobicContact CB-CE1 3.45Å; P346-Y352 VanDerWaalsContact CB-CE1 3.45Å; P346-Y352 HydrophobicContact CB-CE2 2.97Å; P346-Y352 HydrophobicContact CB-CG 3.67Å; P346-Y352 WeakPolarHBondContact CB-OH 3.5Å; P346-Y352 HydrophobicContact CG-CD2 3.81Å; P346-Y352 HydrophobicContact CG-CE2 3.77Å; P346-Y352 HydrophobicContact CG-CG 4.37Å; P346-Y352 WeakPolarHBondContact O-CE1 3.46Å
347S86.8Confident81.9Confident1 Ų149.7 Ų49.71%0.00726%0.256CS..SBendtrans-177165.9-145.767.70000104.7N345 T349 G350 H351N345-S347 PolarHBondContact O-N 3.16Å; N345-S347 VanDerWaalsContact O-N 3.12Å; S347-T349 PolarHBondContact O-N 2.86Å; S347-T349 PolarHBondContact OG-N 2.86Å; S347-T349 PolarHBondContact OG-OG1 3.08Å; S347-G350 PolarHBondContact O-N 2.99Å; S347-G350 PolarHBondContact OG-N 2.98Å; S347-H351 PolarHBondContact OG-N 2.71Å; S347-H351 PolarHBondContact OG-O 3.03Å
348P83.1Confident80.9Confident73 Ų7351.8 Ų51.847%0.47426%0.264SS..THydrogen-bonded Turntrans-57.1-24.7176.2-25.734000114.3Y367P348-Y367 HydrophobicContact CG-CD2 3.86Å; P348-Y367 HydrophobicContact CG-CG 3.85Å
349T80.7Confident80Confident49 Ų4951.8 Ų51.830%0.30127%0.266SS..THydrogen-bonded Turntrans-96.94179.152.50000113.3S347 H351 R358 C359S347-T349 PolarHBondContact O-N 2.86Å; S347-T349 PolarHBondContact OG-N 2.86Å; S347-T349 PolarHBondContact OG-OG1 3.08Å; T349-H351 VanDerWaalsContact C-N 3.32Å; T349-H351 PolarHBondContact O-N 2.62Å; T349-H351 PolarHBondContact O-ND1 2.76Å; T349-R358 HydrophobicContact CG2-CB 4.03Å; T349-C359 WeakPolarHBondContact CG2-SG 3.4Å; T349-C359 PolarHBondContact OG1-SG 3.07Å
350G77.1Confident79.4Confident3 Ų354.1 Ų54.13%0.03128%0.281CS..SBendtrans81.9-2.2174.300000115.9P218 S347P218-G350 WeakPolarHBondContact CA-O 3.21Å; P218-G350 WeakPolarHBondContact CB-O 3.48Å; S347-G350 PolarHBondContact O-N 2.99Å; S347-G350 PolarHBondContact OG-N 2.98Å
351H73.8Confident78.8Confident38 Ų3859 Ų5918%0.17631%0.313CS..  trans-136140.7-172.2-59.581.4000111.5S347 T349 H356S347-H351 PolarHBondContact OG-N 2.71Å; S347-H351 PolarHBondContact OG-O 3.03Å; T349-H351 VanDerWaalsContact C-N 3.32Å; T349-H351 PolarHBondContact O-N 2.62Å; T349-H351 PolarHBondContact O-ND1 2.76Å; H351-H356 HydrophobicContact CB-CB 4.36Å
352Y61.8Low78.4Confident93 Ų9365.3 Ų65.337%0.36534%0.342SS..SBendtrans-82.2-31.3170.9-77-55.5000112.6I216 P346 N357I216-Y352 HydrophobicContact CG2-CE2 4.21Å; P346-Y352 HydrophobicContact CB-CD1 3.76Å; P346-Y352 HydrophobicContact CB-CD2 3.3Å; P346-Y352 HydrophobicContact CB-CE1 3.45Å; P346-Y352 VanDerWaalsContact CB-CE1 3.45Å; P346-Y352 HydrophobicContact CB-CE2 2.97Å; P346-Y352 HydrophobicContact CB-CG 3.67Å; P346-Y352 WeakPolarHBondContact CB-OH 3.5Å; P346-Y352 HydrophobicContact CG-CD2 3.81Å; P346-Y352 HydrophobicContact CG-CE2 3.77Å; P346-Y352 HydrophobicContact CG-CG 4.37Å; P346-Y352 WeakPolarHBondContact O-CE1 3.46Å; Y352-N357 PolarHBondContact O-ND2 2.85Å
353Q60.8Low77.9Confident168 Ų16869.6 Ų69.679%0.78536%0.362SS*.SBendtrans-146.3163.2-169.1-62.4-177.64.200111.5
354G61.7Low77.5Confident58 Ų5870.6 Ų70.660%0.59837%0.368SS*.SBendtrans89.3179177.900000114.5H356 N357G354-H356 PolarHBondContact O-N 3.33Å; G354-N357 PolarHBondContact O-N 2.58Å
355N55.9Low77.1Confident158 Ų15875.1 Ų75.185%0.84539%0.392SS*.THydrogen-bonded Turntrans-59.8-13-176.6-71.9-10.2000114.4
356H61.9Low76.9Confident117 Ų11782.3 Ų82.354%0.54242%0.417SS..THydrogen-bonded Turntrans-92.5-13.6177.6-60.6-64.2000113.5H351 G354 R358H351-H356 HydrophobicContact CB-CB 4.36Å; G354-H356 PolarHBondContact O-N 3.33Å; H356-R358 PolarHBondContact O-N 3.43Å
357N66.1Low77Confident58 Ų5882.8 Ų82.831%0.3142%0.419SS..  trans-75.495.2171.4-175.67.7000109.3Y352 G354 C359Y352-N357 PolarHBondContact O-ND2 2.85Å; G354-N357 PolarHBondContact O-N 2.58Å; N357-C359 PolarHBondContact OD1-N 3.23Å; N357-C359 VanDerWaalsContact OD1-N 3.13Å; N357-C359 PolarHBondContact OD1-O 2.98Å
358R73.8Confident77Confident202 Ų20285.2 Ų85.276%0.76243%0.431SS*.  trans-100.36.8177.1-59.8177.9-179.1177.4-0.1112.2T349 H356T349-R358 HydrophobicContact CG2-CB 4.03Å; H356-R358 PolarHBondContact O-N 3.43Å
359C77.6Confident77.3Confident16 Ų1686.6 Ų86.611%0.10844%0.435CS..  trans-93.3137-177.7-74.60000111.3T349 N357 Q363T349-C359 WeakPolarHBondContact CG2-SG 3.4Å; T349-C359 PolarHBondContact OG1-SG 3.07Å; N357-C359 PolarHBondContact OD1-N 3.23Å; N357-C359 VanDerWaalsContact OD1-N 3.13Å; N357-C359 PolarHBondContact OD1-O 2.98Å; C359-Q363 VanDerWaalsContact CA-OE1 3.27Å; C359-Q363 HydrophobicContact CB-CB 4.25Å
360T83.9Confident77.7Confident65 Ų6589.4 Ų89.440%0.39944%0.44SS..  trans-69.5154.5166.667.50000109.9E362 Q363 T364T360-E362 PolarHBondContact O-N 3.34Å; T360-E362 VanDerWaalsContact O-N 3.15Å; T360-Q363 WeakPolarHBondContact O-CB 3.21Å; T360-Q363 PolarHBondContact O-N 2.95Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.26Å; T360-Q363 PolarHBondContact OG1-N 2.87Å; T360-T364 PolarHBondContact O-N 3.34Å; T360-T364 VanDerWaalsContact O-N 3.07Å; T360-T364 PolarHBondContact O-OG1 3.24Å
361P84.6Confident78.5Confident104 Ų10489.7 Ų89.768%0.67544%0.441SS*.Hα-helixtrans-52.6-35.8173.2-27.935.7000112.8T364 L365P361-T364 PolarHBondContact O-N 3.46Å; P361-L365 WeakPolarHBondContact O-CB 3.45Å; P361-L365 VanDerWaalsContact O-CG 3.31Å; P361-L365 WeakPolarHBondContact O-CG 3.35Å; P361-L365 PolarHBondContact O-N 3.39Å
362E88.4Confident79.3Confident131 Ų13188.2 Ų88.261%0.61244%0.435SS*.Hα-helixtrans-64.2-40.4175.1-63.9-178.3-178.200113.1T360 L365 R366T360-E362 PolarHBondContact O-N 3.34Å; T360-E362 VanDerWaalsContact O-N 3.15Å; E362-L365 PolarHBondContact O-N 3.45Å; E362-R366 WeakPolarHBondContact O-CB 3.34Å; E362-R366 VanDerWaalsContact O-CG 3.28Å; E362-R366 WeakPolarHBondContact O-CG 3.43Å; E362-R366 PolarHBondContact O-N 3.39Å
363Q87.7Confident80.7Confident90 Ų9085.7 Ų85.742%0.42144%0.437SS..Hα-helixtrans-66.4-41.5176.6-74.5170.9-2000111.3C359 T360 R366 Y367C359-Q363 VanDerWaalsContact CA-OE1 3.27Å; C359-Q363 HydrophobicContact CB-CB 4.25Å; T360-Q363 WeakPolarHBondContact O-CB 3.21Å; T360-Q363 PolarHBondContact O-N 2.95Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.26Å; T360-Q363 PolarHBondContact OG1-N 2.87Å; Q363-R366 PolarHBondContact O-N 2.94Å; Q363-Y367 WeakPolarHBondContact O-CB 3.34Å; Q363-Y367 PolarHBondContact O-N 2.99Å
364T86.5Confident82.2Confident21 Ų2180.4 Ų80.413%0.12942%0.417CS..Hα-helixtrans-63.4-46.2174.7-570000111T360 P361 R366 Y367 L368T360-T364 PolarHBondContact O-N 3.34Å; T360-T364 VanDerWaalsContact O-N 3.07Å; T360-T364 PolarHBondContact O-OG1 3.24Å; P361-T364 PolarHBondContact O-N 3.46Å; T364-R366 VanDerWaalsContact C-N 3.35Å; T364-R366 PolarHBondContact O-N 3.06Å; T364-Y367 WeakPolarHBondContact O-CB 3.24Å; T364-Y367 PolarHBondContact O-N 3.12Å; T364-L368 HydrophobicContact CG2-CD1 4.01Å; T364-L368 HydrophobicContact CG2-CG 4.41Å; T364-L368 WeakPolarHBondContact O-CG 3.17Å; T364-L368 PolarHBondContact O-N 3.02Å
365L87Confident83.8Confident102 Ų10277.6 Ų77.653%0.53439%0.388SS..Hα-helixtrans-60.2-43.3175.3-75.2170.5000111.7P361 E362 Y367 L368 N369P361-L365 WeakPolarHBondContact O-CB 3.45Å; P361-L365 VanDerWaalsContact O-CG 3.31Å; P361-L365 WeakPolarHBondContact O-CG 3.35Å; P361-L365 PolarHBondContact O-N 3.39Å; E362-L365 PolarHBondContact O-N 3.45Å; L365-Y367 VanDerWaalsContact C-N 3.31Å; L365-Y367 PolarHBondContact O-N 2.98Å; L365-L368 PolarHBondContact O-N 3.27Å; L365-N369 WeakPolarHBondContact O-CB 3.38Å; L365-N369 PolarHBondContact O-N 3.01Å; L365-N369 PolarHBondContact O-ND2 3.21Å; L365-N369 VanDerWaalsContact O-ND2 3.12Å
366R87.6Confident85.5Confident181 Ų18173.1 Ų73.168%0.68336%0.364SS*.Hα-helixtrans-60.9-39175.8-76.8177.3-174.5-169.24.5112.7E362 Q363 T364E362-R366 WeakPolarHBondContact O-CB 3.34Å; E362-R366 VanDerWaalsContact O-CG 3.28Å; E362-R366 WeakPolarHBondContact O-CG 3.43Å; E362-R366 PolarHBondContact O-N 3.39Å; Q363-R366 PolarHBondContact O-N 2.94Å; T364-R366 VanDerWaalsContact C-N 3.35Å; T364-R366 PolarHBondContact O-N 3.06Å
367Y89.5Confident87Confident10 Ų1073.4 Ų73.44%0.03937%0.369CS..Hα-helixtrans-65-49.8176.2177.3-102.9000111.7P304 N345 P348 Q363 T364 L365 N369 R370P304-Y367 HydrophobicContact CB-CD1 4.42Å; P304-Y367 HydrophobicContact CB-CD2 4.02Å; P304-Y367 HydrophobicContact CB-CE1 3.96Å; P304-Y367 HydrophobicContact CB-CE2 3.52Å; P304-Y367 HydrophobicContact CB-CG 4.45Å; P304-Y367 VanDerWaalsContact CB-CZ 3.48Å; P304-Y367 HydrophobicContact CG-CD1 4.38Å; P304-Y367 HydrophobicContact CG-CE1 3.62Å; P304-Y367 HydrophobicContact CG-CE2 4.02Å; P304-Y367 VanDerWaalsContact CG-CZ 3.41Å; P304-Y367 WeakPolarHBondContact CG-OH 3.45Å; N345-Y367 WeakPolarHBondContact O-CE1 3.29Å; P348-Y367 HydrophobicContact CG-CD2 3.86Å; P348-Y367 HydrophobicContact CG-CG 3.85Å; Q363-Y367 WeakPolarHBondContact O-CB 3.34Å; Q363-Y367 PolarHBondContact O-N 2.99Å; T364-Y367 WeakPolarHBondContact O-CB 3.24Å; T364-Y367 PolarHBondContact O-N 3.12Å; L365-Y367 VanDerWaalsContact C-N 3.31Å; L365-Y367 PolarHBondContact O-N 2.98Å; Y367-N369 VanDerWaalsContact C-N 3.34Å; Y367-N369 PolarHBondContact O-N 3.04Å; Y367-R370 WeakPolarHBondContact O-CB 3.45Å; Y367-R370 WeakPolarHBondContact O-CG 3.44Å; Y367-R370 PolarHBondContact O-N 3.12Å
368L88.1Confident88.4Confident52 Ų5273.1 Ų73.127%0.27236%0.364SS..Hα-helixtrans-66.1-35.2178.6-63.4176.3000112.2M344 T364 L365 R370 L371M344-L368 HydrophobicContact CE-CD2 3.39Å; T364-L368 HydrophobicContact CG2-CD1 4.01Å; T364-L368 HydrophobicContact CG2-CG 4.41Å; T364-L368 WeakPolarHBondContact O-CG 3.17Å; T364-L368 PolarHBondContact O-N 3.02Å; L365-L368 PolarHBondContact O-N 3.27Å; L368-R370 PolarHBondContact O-N 3.38Å; L368-R370 VanDerWaalsContact O-N 3.09Å; L368-L371 WeakPolarHBondContact O-CB 3.15Å; L368-L371 PolarHBondContact O-N 3.41Å
369N89.5Confident89.4Confident102 Ų10264.3 Ų64.355%0.54533%0.331SS..THydrogen-bonded Turntrans-67.4-5.9177.5-76.2-23000114.4R308 L365 Y367R308-N369 PolarHBondContact NH1-O 2.87Å; L365-N369 WeakPolarHBondContact O-CB 3.38Å; L365-N369 PolarHBondContact O-N 3.01Å; L365-N369 PolarHBondContact O-ND2 3.21Å; L365-N369 VanDerWaalsContact O-ND2 3.12Å; Y367-N369 VanDerWaalsContact C-N 3.34Å; Y367-N369 PolarHBondContact O-N 3.04Å
370R89Confident90.3Very high108 Ų10868.4 Ų68.441%0.40835%0.352SS..THydrogen-bonded Turntrans-66.9-29167-66.1-174.4176-177.9-0.1111.4P304 E305 R308 Y367 L368P304-R370 WeakPolarHBondContact O-CD 3.5Å; P304-R370 PolarHBondContact O-NH1 2.92Å; E305-R370 IonicContact OE1-NH1 3.95Å; E305-R370 IonicContact OE2-NH1 3.51Å; E305-R370 PolarHBondContact OE2-NH1 2.94Å; R308-R370 WeakPolarHBondContact CG-O 3.34Å; Y367-R370 WeakPolarHBondContact O-CB 3.45Å; Y367-R370 WeakPolarHBondContact O-CG 3.44Å; Y367-R370 PolarHBondContact O-N 3.12Å; L368-R370 PolarHBondContact O-N 3.38Å; L368-R370 VanDerWaalsContact O-N 3.09Å
371L92.6Very high90.9Very high10 Ų1067.5 Ų67.55%0.05235%0.345CS..SBendtrans-87128.3173.7-50.3-179.4000108.9L303 P304 L311 M344 L368 L376L303-L371 HydrophobicContact CD2-CD1 3.95Å; L303-L371 HydrophobicContact CD2-CD2 3.98Å; L303-L371 HydrophobicContact CG-CD2 3.8Å; P304-L371 HydrophobicContact CG-CD1 4.23Å; P304-L371 HydrophobicContact CG-CD2 4.45Å; P304-L371 HydrophobicContact CG-CG 4.42Å; L311-L371 HydrophobicContact CD1-CD2 3.46Å; L311-L371 VanDerWaalsContact CD1-CD2 3.46Å; M344-L371 HydrophobicContact CE-CD1 4.38Å; M344-L371 HydrophobicContact SD-CD1 3.76Å; L368-L371 WeakPolarHBondContact O-CB 3.15Å; L368-L371 PolarHBondContact O-N 3.41Å; L371-L376 HydrophobicContact CB-CD1 4.14Å; L371-L376 HydrophobicContact CB-CD2 4.3Å; L371-L376 HydrophobicContact CB-CG 4.07Å; L371-L376 HydrophobicContact CD1-CD2 3.86Å
372S91.8Very high91.4Very high7 Ų766.2 Ų66.25%0.04934%0.338CS..  trans-77.4141.9174.8740000109.9D312 P374 F375 L376D312-S372 VanDerWaalsContact OD1-CB 3.24Å; D312-S372 WeakPolarHBondContact OD1-CB 3.44Å; D312-S372 PolarHBondContact OD1-OG 3.12Å; S372-P374 VanDerWaalsContact C-N 3.32Å; S372-F375 PolarHBondContact O-N 2.83Å; S372-F375 VanDerWaalsContact OG-CB 3.26Å; S372-F375 WeakPolarHBondContact OG-CB 3.42Å; S372-F375 PolarHBondContact OG-N 3.2Å; S372-L376 PolarHBondContact O-N 3.36Å
373G91.1Very high91.7Very high39 Ų3961.2 Ų61.240%0.40232%0.316SS..Hα-helixtrans-50.5-48.7172.500000112.5F375 L376 D377G373-F375 PolarHBondContact O-N 3.43Å; G373-F375 VanDerWaalsContact O-N 3.12Å; G373-L376 PolarHBondContact O-N 2.95Å; G373-D377 PolarHBondContact O-N 2.95Å
374P92.5Very high91.9Very high57 Ų5762.4 Ų62.437%0.3732%0.321SS..Hα-helixtrans-60.5-22.1176.5-27.336.1000116R315 S372 R378R315-P374 VanDerWaalsContact CZ-CB 3.43Å; R315-P374 PolarHBondContact NE-O 3.06Å; S372-P374 VanDerWaalsContact C-N 3.32Å; P374-R378 PolarHBondContact O-NH1 3.41Å
375F94.3Very high92.1Very high0 Ų061.4 Ų61.40%032%0.315CS..Hα-helixtrans-83.3-41.5172.1176.2-108.7000111.3L303 L311 L314 R315 I318 L340 S372 G373 D377 R378 F379L303-F375 HydrophobicContact CD1-CE1 4.05Å; L303-F375 HydrophobicContact CD1-CZ 4.3Å; L303-F375 HydrophobicContact CD2-CE1 4.08Å; L303-F375 HydrophobicContact CG-CE1 4.39Å; L311-F375 HydrophobicContact CB-CD1 4.28Å; L311-F375 HydrophobicContact CB-CE1 4.16Å; L311-F375 HydrophobicContact CB-CG 4.49Å; L311-F375 HydrophobicContact CB-CZ 4.29Å; L311-F375 HydrophobicContact CD1-CE1 4.32Å; L311-F375 HydrophobicContact CD2-CE1 4.19Å; L311-F375 HydrophobicContact CD2-CZ 4.11Å; L311-F375 HydrophobicContact CG-CE1 4.47Å; L311-F375 WeakPolarHBondContact O-CD2 3.28Å; L314-F375 HydrophobicContact CB-CE2 4.02Å; L314-F375 HydrophobicContact CD1-CE2 4.04Å; L314-F375 HydrophobicContact CD1-CZ 4.23Å; R315-F375 HydrophobicContact CG-CB 4.27Å; R315-F375 HydrophobicContact CG-CD2 4.06Å; I318-F375 HydrophobicContact CD1-CE2 4.34Å; L340-F375 HydrophobicContact CD2-CE2 4.07Å; L340-F375 HydrophobicContact CD2-CZ 3.98Å; S372-F375 PolarHBondContact O-N 2.83Å; S372-F375 VanDerWaalsContact OG-CB 3.26Å; S372-F375 WeakPolarHBondContact OG-CB 3.42Å; S372-F375 PolarHBondContact OG-N 3.2Å; G373-F375 PolarHBondContact O-N 3.43Å; G373-F375 VanDerWaalsContact O-N 3.12Å; F375-D377 PolarHBondContact O-N 3.09Å; F375-R378 VanDerWaalsContact O-CB 3.25Å; F375-R378 WeakPolarHBondContact O-CB 3.42Å; F375-R378 PolarHBondContact O-N 3.13Å; F375-F379 HydrophobicContact CD1-CE2 4.35Å; F375-F379 AromaticContact CE1-CE2 3.83Å; F375-F379 HydrophobicContact CE1-CE2 3.83Å; F375-F379 HydrophobicContact CE1-CZ 4.23Å; F375-F379 HydrophobicContact CZ-CE2 4.11Å; F375-F379 HydrophobicContact CZ-CZ 4.19Å
376L93.1Very high92Very high64 Ų6459.7 Ų59.734%0.33531%0.31SS..Hα-helixtrans-59.4-35.1174.3-74.5173.4000112.2L214 L371 S372 G373 R378 F379L214-L376 HydrophobicContact CD2-CD2 4.02Å; L371-L376 HydrophobicContact CB-CD1 4.14Å; L371-L376 HydrophobicContact CB-CD2 4.3Å; L371-L376 HydrophobicContact CB-CG 4.07Å; L371-L376 HydrophobicContact CD1-CD2 3.86Å; S372-L376 PolarHBondContact O-N 3.36Å; G373-L376 PolarHBondContact O-N 2.95Å; L376-R378 PolarHBondContact O-N 3.4Å; L376-F379 HydrophobicContact CD2-CD2 4.44Å; L376-F379 PolarHBondContact O-N 3.07Å; L376-F379 VanDerWaalsContact O-N 3.07Å
377D93.4Very high91.8Very high122 Ų12255.6 Ų55.665%0.65230%0.301SS*.THydrogen-bonded Turntrans-63.6-3.5174-63.8-20.8000113.8G373 F375G373-D377 PolarHBondContact O-N 2.95Å; F375-D377 PolarHBondContact O-N 3.09Å
378R94.5Very high91Very high52 Ų5258.7 Ų58.720%0.19632%0.322CS..THydrogen-bonded Turntrans-91.7-8174.5-59.2-67.9166.7-84.32.5113.2N212 I318 E319 P374 F375 L376N212-R378 WeakPolarHBondContact CB-O 3.42Å; N212-R378 PolarHBondContact ND2-O 3.3Å; I318-R378 HydrophobicContact CD1-CB 4.18Å; I318-R378 HydrophobicContact CD1-CG 4.4Å; I318-R378 HydrophobicContact CG2-CB 4.39Å; E319-R378 IonicContact OE1-CZ 3.85Å; E319-R378 IonicContact OE1-NE 3.94Å; E319-R378 PolarHBondContact OE1-NE 3.45Å; E319-R378 IonicContact OE1-NH2 2.62Å; E319-R378 PolarHBondContact OE1-NH2 2.81Å; P374-R378 PolarHBondContact O-NH1 3.41Å; F375-R378 VanDerWaalsContact O-CB 3.25Å; F375-R378 WeakPolarHBondContact O-CB 3.42Å; F375-R378 PolarHBondContact O-N 3.13Å; L376-R378 PolarHBondContact O-N 3.4Å
379F96Very high90.1Very high17 Ų1761.3 Ų61.38%0.07534%0.343CS..  trans-91117.5173.2-66.4-79.6000110.2N212 L213 L214 L303 L340 A342 F375 L376 L381N212-F379 HydrophobicContact CB-CD1 4.19Å; L213-F379 VanDerWaalsContact C-CD1 3.42Å; L213-F379 WeakPolarHBondContact O-CE1 3.25Å; L214-F379 HydrophobicContact CB-CB 4.23Å; L214-F379 HydrophobicContact CB-CD1 3.75Å; L214-F379 HydrophobicContact CB-CD2 4.28Å; L214-F379 HydrophobicContact CB-CE1 4.1Å; L214-F379 HydrophobicContact CB-CG 3.83Å; L214-F379 HydrophobicContact CD1-CZ 4.33Å; L214-F379 HydrophobicContact CD2-CD2 4.46Å; L303-F379 HydrophobicContact CD2-CE2 4.18Å; L303-F379 HydrophobicContact CD2-CZ 4.08Å; L340-F379 HydrophobicContact CD2-CD1 4.44Å; L340-F379 HydrophobicContact CD2-CE1 3.64Å; L340-F379 HydrophobicContact CD2-CE2 4.29Å; L340-F379 HydrophobicContact CD2-CZ 3.55Å; L340-F379 HydrophobicContact CG-CE1 3.81Å; L340-F379 HydrophobicContact CG-CZ 4.1Å; A342-F379 HydrophobicContact CB-CE1 3.66Å; A342-F379 HydrophobicContact CB-CZ 3.58Å; F375-F379 HydrophobicContact CD1-CE2 4.35Å; F375-F379 AromaticContact CE1-CE2 3.83Å; F375-F379 HydrophobicContact CE1-CE2 3.83Å; F375-F379 HydrophobicContact CE1-CZ 4.23Å; F375-F379 HydrophobicContact CZ-CE2 4.11Å; F375-F379 HydrophobicContact CZ-CZ 4.19Å; L376-F379 HydrophobicContact CD2-CD2 4.44Å; L376-F379 PolarHBondContact O-N 3.07Å; L376-F379 VanDerWaalsContact O-N 3.07Å; F379-L381 VanDerWaalsContact C-N 3.34Å
380D95.8Very high88.8Confident102 Ų10261.6 Ų61.655%0.54535%0.35SS..SBendtrans-73.8-31.3177.1-51.9-66.2000111.4H211 N212H211-D380 VanDerWaalsContact CA-OD2 3.29Å; H211-D380 WeakPolarHBondContact CA-OD2 3.47Å; H211-D380 HydrophobicContact CB-CB 3.92Å; H211-D380 IonicContact ND1-OD2 2.71Å; N212-D380 PolarHBondContact N-OD2 3.27Å; N212-D380 PolarHBondContact O-N 2.75Å
381L95.6Very high87.5Confident47 Ų4761.4 Ų61.425%0.24637%0.372CS..EExtended strand (participates in β ladder)trans-126.6130.5-178.9-63174.1000110.4I205 H211 N212 L213 L214 F379I205-L381 HydrophobicContact CB-CD1 4.49Å; I205-L381 HydrophobicContact CG2-CD1 3.93Å; H211-L381 HydrophobicContact CB-CD1 4.08Å; H211-L381 HydrophobicContact CB-CG 4.36Å; N212-L381 PolarHBondContact O-N 2.97Å; N212-L381 VanDerWaalsContact O-N 3.08Å; L213-L381 WeakPolarHBondContact CA-O 3.46Å; L213-L381 HydrophobicContact CD1-CB 3.88Å; L214-L381 PolarHBondContact N-O 3.36Å; F379-L381 VanDerWaalsContact C-N 3.34Å
382S95.3Very high84.7Confident76 Ų7673.5 Ų73.553%0.53142%0.424SS..EExtended strand (participates in β ladder)trans-121.8121.3169.2-67.10000108.9L214L214-S382 CarbonylContact O-C 3.59Å; L214-S382 WeakPolarHBondContact O-CA 3.36Å
383L94.2Very high84.4Confident27 Ų2776.9 Ų76.914%0.14144%0.443CS..EExtended strand (participates in β ladder)trans-121.5127.4-175.8-61.3178000110.7L213 L214 L215 I216 I385L213-L383 HydrophobicContact CD1-CB 4.49Å; L213-L383 HydrophobicContact CD1-CD1 3.68Å; L213-L383 HydrophobicContact CD1-CG 3.88Å; L214-L383 PolarHBondContact O-N 2.88Å; L215-L383 HydrophobicContact CD2-CB 4.23Å; I216-L383 PolarHBondContact N-O 2.97Å; L383-I385 HydrophobicContact CB-CD1 4.39Å
384E92.2Very high84Confident114 Ų11478.8 Ų78.853%0.53345%0.445SS..EExtended strand (participates in β ladder)trans-82.2125.7168.2-168.8171.8-177.800109.6I216 P386I216-E384 CarbonylContact O-C 3.48Å; I216-E384 VanDerWaalsContact O-CA 3.26Å; I216-E384 WeakPolarHBondContact O-CA 3.31Å; E384-P386 WeakPolarHBondContact O-CD 3.43Å
385I91Very high83.5Confident0 Ų080.1 Ų80.10%045%0.449CS..  trans-104.8105.6178.9-54.3-57.2000108Q196 L215 I216 L226 L383Q196-I385 HydrophobicContact CG-CG2 4.33Å; L215-I385 HydrophobicContact CB-CG1 4.42Å; L215-I385 HydrophobicContact CD2-CD1 3.97Å; L215-I385 HydrophobicContact CD2-CG1 4.01Å; I216-I385 PolarHBondContact O-N 3.22Å; L226-I385 HydrophobicContact CD1-CD1 4.17Å; L226-I385 HydrophobicContact CD1-CG1 4.44Å; L226-I385 HydrophobicContact CD1-CG2 4.23Å; L383-I385 HydrophobicContact CB-CD1 4.39Å
386P85.4Confident82.9Confident66 Ų6684.8 Ų84.843%0.42948%0.476SS..PPolyproline II helixtrans-70164.1-177.329.7-35.3000111.6Q196 T221 E384Q196-P386 PolarHBondContact NE2-O 3.15Å; T221-P386 WeakPolarHBondContact CG2-O 3.46Å; E384-P386 WeakPolarHBondContact O-CD 3.43Å
387L82.2Confident82.3Confident96 Ų9686.1 Ų86.150%0.50349%0.485SS..PPolyproline II helixtrans-62.7137.5166-75.5164.2000109.6P218 T221P218-L387 HydrophobicContact CB-CD2 4.13Å; P218-L387 HydrophobicContact CB-CG 4.21Å; P218-L387 HydrophobicContact CG-CD1 4.43Å; P218-L387 HydrophobicContact CG-CG 4.17Å; T221-L387 HydrophobicContact CG2-CD2 3.84Å; T221-L387 HydrophobicContact CG2-CG 4.21Å
388P73.8Confident81.5Confident74 Ų7483.7 Ų83.748%0.48147%0.473SS..PPolyproline II helixtrans-58142.6169.324.1-30.5000108.9
389P68.6Low80.6Confident108 Ų10885.9 Ų85.970%0.70149%0.493SS*.PPolyproline II helixtrans-55.9143.5175.122-30.3000109.4A391P389-A391 PolarHBondContact O-N 2.88Å
390P63.4Low79.4Confident107 Ų10791.2 Ų91.270%0.69553%0.525SS*.PPolyproline II helixtrans-54.4131.7176.621.5-30.5000109.1F392P390-F392 PolarHBondContact O-N 3.46Å; P390-F392 VanDerWaalsContact O-N 3.14Å
391A60.7Low78Confident105 Ų10590.3 Ų90.387%0.86852%0.524SS*.PPolyproline II helixtrans-58.4119.5174.200000108.3P389P389-A391 PolarHBondContact O-N 2.88Å
392F34.1Very low76.4Confident264 Ų26494.3 Ų94.3100%1.15855%0.549SS*.  trans-70.60176-76.3-80.4000111.9P390P390-F392 PolarHBondContact O-N 3.46Å; P390-F392 VanDerWaalsContact O-N 3.14Å

Retrieved 392 of 392 residues in 406.2 ms (Link to these results)

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