A0A087XZK1_POEFO Loading...

2-aminomuconic semialdehyde dehydrogenase

Catalyzes the NAD-dependent oxidation of 2-aminomuconic semialdehyde of the kynurenine metabolic pathway in L-tryptophan degradation.

AlphaFold DB , UniProt , Accession A0A087XZK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 487 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
1M40.9Very low72.1Confident233 Ų233113.8 Ų113.8100%1.14859%0.591SS**  0127.60-71174.8175.500107.5K3M1-K3 PolarHBondContact O-N 3.13Å
2P42.4Very low74.3Confident127 Ų127104.3 Ų104.383%0.82554%0.541SS*.PPolyproline II helixtrans-57.3136.4171-14.327.2000108.5
3K42.4Very low76.2Confident194 Ų19497.1 Ų97.184%0.84350%0.503SS*.PPolyproline II helixtrans-53.7138.1171.3-78.4-179.4175.91790108.2M1 R5M1-K3 PolarHBondContact O-N 3.13Å; K3-R5 PolarHBondContact O-N 3.31Å
4P49Very low77.8Confident125 Ų12591.5 Ų91.581%0.81247%0.474SS*.PPolyproline II helixtrans-56117.9173.321.4-29.2000108.2S6P4-S6 PolarHBondContact O-N 2.78Å; P4-S6 VanDerWaalsContact O-N 3.12Å
5R61.4Low79.2Confident159 Ų15987 Ų8760%0.646%0.459SS*.  trans-63.4112.4172.6-96.4177.1167.7167.9-12106.8K3 Y7 E34K3-R5 PolarHBondContact O-N 3.31Å; R5-Y7 PolarHBondContact O-N 2.87Å; R5-E34 IonicContact CZ-OE1 3.41Å; R5-E34 IonicContact CZ-OE2 2.8Å; R5-E34 VanDerWaalsContact CZ-OE2 3.26Å; R5-E34 IonicContact NH1-OE1 3.74Å; R5-E34 PolarHBondContact NH1-OE1 3.46Å; R5-E34 IonicContact NH1-OE2 2.7Å; R5-E34 PolarHBondContact NH1-OE2 2.96Å; R5-E34 IonicContact NH2-OE1 2.91Å; R5-E34 IonicContact NH2-OE2 3.39Å; R5-E34 PolarHBondContact NH2-OE2 2.7Å
6S81.3Confident80.4Confident119 Ų11982.6 Ų82.683%0.83244%0.44SS*.  trans-74.5106.7167.557.10000107.9P4P4-S6 PolarHBondContact O-N 2.78Å; P4-S6 VanDerWaalsContact O-N 3.12Å
7Y89.1Confident81.4Confident98 Ų9886.6 Ų86.638%0.38445%0.453SS..  trans-68.9147.1173.9-61.7-71.1000110.3R5 V9 V35R5-Y7 PolarHBondContact O-N 2.87Å; Y7-V9 PolarHBondContact O-N 2.71Å; Y7-V35 HydrophobicContact CD1-CB 4.42Å; Y7-V35 HydrophobicContact CD1-CG1 4.02Å; Y7-V35 HydrophobicContact CE1-CB 3.92Å; Y7-V35 HydrophobicContact CE1-CG1 3.98Å
8L93.9Very high82.4Confident56 Ų5685.6 Ų85.629%0.29345%0.445SS..EExtended strand (participates in β ladder)trans-61.5129.4162.6173.264.1000107.8L10 C37 K38 V185 W188L8-L10 HydrophobicContact CD1-CD2 4.29Å; L8-L10 HydrophobicContact CD2-CD2 3.75Å; L8-L10 HydrophobicContact CG-CD2 3.78Å; L8-C37 HydrophobicContact CB-CB 3.8Å; L8-C37 HydrophobicContact CD2-CB 4.11Å; L8-C37 HydrophobicContact CG-CB 4.04Å; L8-C37 CarbonylContact O-C 3.56Å; L8-C37 VanDerWaalsContact O-CA 3.22Å; L8-C37 WeakPolarHBondContact O-CA 3.27Å; L8-C37 VanDerWaalsContact O-CB 3.24Å; L8-C37 WeakPolarHBondContact O-CB 3.24Å; L8-K38 PolarHBondContact O-N 3.5Å; L8-V185 HydrophobicContact CD2-CG1 4.21Å; L8-V185 HydrophobicContact CD2-CG2 4.37Å; L8-W188 HydrophobicContact CD1-CH2 3.92Å; L8-W188 HydrophobicContact CD1-CZ3 4.03Å; L8-W188 HydrophobicContact CD2-CZ3 4.49Å
9V96.6Very high83.2Confident72 Ų7284.1 Ų84.144%0.43644%0.439SS..EExtended strand (participates in β ladder)trans-114.5118.7175.3-175.70000107.1Y7 H24 K38Y7-V9 PolarHBondContact O-N 2.71Å; V9-H24 WeakPolarHBondContact CG1-NE2 3.37Å; V9-K38 HydrophobicContact CG1-CB 4.38Å; V9-K38 HydrophobicContact CG2-CB 4.25Å; V9-K38 HydrophobicContact CG2-CG 4.49Å
10L97.8Very high83.7Confident0 Ų084.2 Ų84.20%045%0.447CS..  trans-81.2157.4177.9-49.6-172.9000110.2L8 K38 V39 P40 V185 W188L8-L10 HydrophobicContact CD1-CD2 4.29Å; L8-L10 HydrophobicContact CD2-CD2 3.75Å; L8-L10 HydrophobicContact CG-CD2 3.78Å; L10-K38 PolarHBondContact N-O 2.95Å; L10-V39 HydrophobicContact CD1-CG1 4.47Å; L10-V39 HydrophobicContact CD1-CG2 3.94Å; L10-P40 WeakPolarHBondContact O-CD 3.49Å; L10-P40 VanDerWaalsContact O-CG 3.3Å; L10-P40 WeakPolarHBondContact O-CG 3.39Å; L10-V185 HydrophobicContact CD1-CG2 4.3Å; L10-V185 HydrophobicContact CD2-CG2 4.49Å; L10-W188 HydrophobicContact CB-CG 4.3Å; L10-W188 HydrophobicContact CD1-CB 4.19Å; L10-W188 HydrophobicContact CD2-CB 4.19Å; L10-W188 HydrophobicContact CD2-CD2 3.67Å; L10-W188 HydrophobicContact CD2-CE3 3.79Å; L10-W188 HydrophobicContact CD2-CG 3.85Å; L10-W188 HydrophobicContact CD2-CZ3 4.34Å; L10-W188 HydrophobicContact CG-CG 4.46Å
11E98.4Very high84Confident69 Ų6980.9 Ų80.932%0.32243%0.431SS..  trans-125.5149.7176.4-66.4176.3107.300108.4F18 W188 F208E11-F18 HydrophobicContact CB-CB 4Å; E11-F18 HydrophobicContact CB-CD1 4.09Å; E11-W188 VanDerWaalsContact O-CD1 3.29Å; E11-F208 VanDerWaalsContact O-CE2 3.22Å; E11-F208 WeakPolarHBondContact O-CE2 3.44Å
12N98.6Very high86.3Confident0 Ų073.3 Ų73.30%041%0.412CS..EExtended strand (participates in β ladder)trans-64.2156169.3-65.9-51.6000109.9I14 F18 V19 S42 V207 F208N12-I14 HydrophobicContact CB-CD1 3.96Å; N12-I14 HydrophobicContact CB-CG1 4.11Å; N12-F18 CarbonylContact O-C 3.6Å; N12-F18 VanDerWaalsContact O-CA 3.25Å; N12-F18 WeakPolarHBondContact O-CA 3.33Å; N12-V19 PolarHBondContact N-O 3.11Å; N12-V19 PolarHBondContact O-N 3.48Å; N12-S42 PolarHBondContact ND2-OG 3.05Å; N12-S42 PolarHBondContact OD1-OG 2.99Å; N12-S42 VanDerWaalsContact OD1-OG 3.14Å; N12-V207 WeakPolarHBondContact OD1-CA 3.46Å; N12-F208 PolarHBondContact OD1-N 3.29Å
13Y98.8Very high88.7Confident10 Ų1071.7 Ų71.74%0.03940%0.397CS..EExtended strand (participates in β ladder)trans-115.5103.6172.4-171.9-99.2000109.3G16 K17 F18 C191 L194 N205 V206Y13-G16 WeakPolarHBondContact OH-CA 3.33Å; Y13-G16 PolarHBondContact OH-O 2.66Å; Y13-K17 CarbonylContact C-O 3.5Å; Y13-K17 WeakPolarHBondContact CA-O 3.5Å; Y13-F18 HydrophobicContact CD2-CD1 4.16Å; Y13-F18 HydrophobicContact CD2-CD2 4.28Å; Y13-F18 AromaticContact CD2-CE1 3.97Å; Y13-F18 HydrophobicContact CD2-CE1 3.97Å; Y13-F18 HydrophobicContact CD2-CE2 4.09Å; Y13-F18 HydrophobicContact CD2-CG 4.32Å; Y13-F18 AromaticContact CD2-CZ 3.92Å; Y13-F18 HydrophobicContact CD2-CZ 3.92Å; Y13-F18 HydrophobicContact CE2-CE2 4.2Å; Y13-F18 HydrophobicContact CE2-CZ 4.35Å; Y13-C191 HydrophobicContact CD1-CB 4.26Å; Y13-C191 HydrophobicContact CD2-CB 3.79Å; Y13-C191 HydrophobicContact CE2-CB 4.36Å; Y13-C191 HydrophobicContact CG-CB 3.71Å; Y13-L194 HydrophobicContact CD1-CD1 3.83Å; Y13-L194 HydrophobicContact CE1-CB 4.35Å; Y13-L194 HydrophobicContact CE1-CD1 3.47Å; Y13-L194 VanDerWaalsContact CE1-CD1 3.47Å; Y13-N205 CarbonylContact O-C 3.5Å; Y13-N205 WeakPolarHBondContact O-CA 3.45Å; Y13-V206 PolarHBondContact N-O 2.85Å; Y13-V206 PolarHBondContact O-N 3.14Å
14I98.8Very high91.3Very high19 Ų1965.9 Ų65.910%0.09737%0.373CS..EExtended strand (participates in β ladder)trans-130.9127.3-171-61.2174.2000108.9N12 G16 K17 V19 E46 A49 A50 A53 V207N12-I14 HydrophobicContact CB-CD1 3.96Å; N12-I14 HydrophobicContact CB-CG1 4.11Å; I14-G16 PolarHBondContact O-N 2.69Å; I14-K17 PolarHBondContact N-O 3.47Å; I14-K17 PolarHBondContact O-N 2.83Å; I14-V19 HydrophobicContact CB-CG2 4.19Å; I14-E46 HydrophobicContact CD1-CB 4.12Å; I14-A49 HydrophobicContact CG2-CB 4.37Å; I14-A50 HydrophobicContact CD1-CB 4.46Å; I14-A50 HydrophobicContact CG1-CB 4.21Å; I14-A50 HydrophobicContact CG2-CB 4.43Å; I14-A53 HydrophobicContact CG2-CB 4.47Å; I14-V207 HydrophobicContact CD1-CG2 4.37Å; I14-V207 HydrophobicContact CG1-CG2 4.42Å
15G98.6Very high93.6Very high24 Ų2461.8 Ų61.825%0.24734%0.344CS..THydrogen-bonded Turntrans5934.2177.400000113.2K17 N205G15-K17 VanDerWaalsContact C-N 3.34Å; G15-K17 PolarHBondContact O-N 2.68Å; G15-N205 PolarHBondContact N-OD1 3.39Å
16G98.3Very high95.3Very high16 Ų1657.1 Ų57.117%0.16533%0.331CS..THydrogen-bonded Turntrans79.58.1-178.800000115.3Y13 I14Y13-G16 WeakPolarHBondContact OH-CA 3.33Å; Y13-G16 PolarHBondContact OH-O 2.66Å; I14-G16 PolarHBondContact O-N 2.69Å
17K98.3Very high96Very high151 Ų15151.6 Ų51.666%0.65729%0.292SS*.EExtended strand (participates in β ladder)trans-127.8149.2-176.4-62.4179.4-176.5175.50111.8Y13 I14 G15Y13-K17 CarbonylContact C-O 3.5Å; Y13-K17 WeakPolarHBondContact CA-O 3.5Å; I14-K17 PolarHBondContact N-O 3.47Å; I14-K17 PolarHBondContact O-N 2.83Å; G15-K17 VanDerWaalsContact C-N 3.34Å; G15-K17 PolarHBondContact O-N 2.68Å
18F98.5Very high96.4Very high69 Ų6951.9 Ų51.930%0.30329%0.293SS..EExtended strand (participates in β ladder)trans-75.3129.3166.6-69.5-79000110.1E11 N12 Y13 W188 C191 K192E11-F18 HydrophobicContact CB-CB 4Å; E11-F18 HydrophobicContact CB-CD1 4.09Å; N12-F18 CarbonylContact O-C 3.6Å; N12-F18 VanDerWaalsContact O-CA 3.25Å; N12-F18 WeakPolarHBondContact O-CA 3.33Å; Y13-F18 HydrophobicContact CD2-CD1 4.16Å; Y13-F18 HydrophobicContact CD2-CD2 4.28Å; Y13-F18 AromaticContact CD2-CE1 3.97Å; Y13-F18 HydrophobicContact CD2-CE1 3.97Å; Y13-F18 HydrophobicContact CD2-CE2 4.09Å; Y13-F18 HydrophobicContact CD2-CG 4.32Å; Y13-F18 AromaticContact CD2-CZ 3.92Å; Y13-F18 HydrophobicContact CD2-CZ 3.92Å; Y13-F18 HydrophobicContact CE2-CE2 4.2Å; Y13-F18 HydrophobicContact CE2-CZ 4.35Å; F18-W188 AromaticContact CD1-NE1 3.54Å; F18-W188 AromaticContact CE1-CD1 3.62Å; F18-W188 HydrophobicContact CE1-CG 4.47Å; F18-W188 AromaticContact CE1-NE1 3.32Å; F18-W188 VanDerWaalsContact CE1-NE1 3.32Å; F18-C191 HydrophobicContact CE1-CB 3.88Å; F18-C191 HydrophobicContact CZ-CB 3.81Å; F18-K192 HydrophobicContact CE2-CG 4.07Å; F18-K192 HydrophobicContact CZ-CG 3.63Å
19V97.9Very high96.6Very high57 Ų5750 Ų5035%0.34528%0.283SS..EExtended strand (participates in β ladder)trans-129.8120.3-175.5-1770000108.8N12 I14N12-V19 PolarHBondContact N-O 3.11Å; N12-V19 PolarHBondContact O-N 3.48Å; I14-V19 HydrophobicContact CB-CG2 4.19Å
20S93.4Very high96.7Very high85 Ų8546.6 Ų46.659%0.59426%0.262SS*.  trans-70.2157.6177.259.60000112
21C89.3Confident96.7Very high15 Ų1547.2 Ų47.210%0.10127%0.267CS..  trans-117.9153.3174.4-174.70000109.9N23 H24 P40 E46C21-N23 VanDerWaalsContact C-N 3.32Å; C21-H24 PolarHBondContact O-CE1 3.47Å; C21-P40 HydrophobicContact CB-CB 3.71Å; C21-P40 HydrophobicContact CB-CG 4.44Å; C21-E46 PolarHBondContact SG-OE1 2.86Å
22G88.9Confident96.7Very high74 Ų7445.1 Ų45.176%0.76326%0.259SS*.SBendtrans-72.5-23.4176.500000114.1
23N94.3Very high96.6Very high94 Ų9446.2 Ų46.250%0.50327%0.27SS..  trans-124.7147.1-176.4-65.4-46.7000111.2C21 D41C21-N23 VanDerWaalsContact C-N 3.32Å; N23-D41 HydrophobicContact CB-CB 4.41Å; N23-D41 PolarHBondContact O-N 2.78Å
24H96.9Very high96.6Very high72 Ų7250 Ų5033%0.33329%0.288SS..EExtended strand (participates in β ladder)trans-137.2154.2-179.6-59.378.8000111.7V9 C21 K38 V39V9-H24 WeakPolarHBondContact CG1-NE2 3.37Å; C21-H24 PolarHBondContact O-CE1 3.47Å; H24-K38 HydrophobicContact CB-CB 4.05Å; H24-V39 CarbonylContact C-O 3.11Å; H24-V39 WeakPolarHBondContact CA-O 3.31Å; H24-V39 WeakPolarHBondContact CB-O 3.46Å
25I96.7Very high96.5Very high39 Ų3950.5 Ų50.520%0.229%0.292CS..EExtended strand (participates in β ladder)trans-117.3151170.650.6-169000109.9K38 V39 D41 E181 T210I25-K38 WeakPolarHBondContact O-CA 3.47Å; I25-V39 HydrophobicContact CG1-CB 3.98Å; I25-V39 WeakPolarHBondContact CG1-O 3.44Å; I25-V39 PolarHBondContact N-O 3.44Å; I25-V39 PolarHBondContact O-N 2.95Å; I25-D41 HydrophobicContact CD1-CB 4.4Å; I25-D41 HydrophobicContact CG1-CB 4.42Å; I25-D41 HydrophobicContact CG2-CB 3.92Å; I25-E181 HydrophobicContact CD1-CB 3.35Å; I25-E181 HydrophobicContact CD1-CG 3.91Å; I25-E181 HydrophobicContact CG1-CB 4.41Å; I25-T210 HydrophobicContact CD1-CG2 4.04Å
26D97.4Very high96.4Very high61 Ų6151.7 Ų51.733%0.32629%0.289SS..EExtended strand (participates in β ladder)trans-84.3123.4-178.9-70.320.4000109Y28 V35 K38D26-Y28 HydrophobicContact CB-CE2 3.91Å; D26-V35 HydrophobicContact CB-CG1 4.04Å; D26-V35 HydrophobicContact CB-CG2 4.11Å; D26-V35 WeakPolarHBondContact OD2-CG2 3.43Å; D26-K38 WeakPolarHBondContact OD1-CD 3.38Å; D26-K38 WeakPolarHBondContact OD1-CE 3.35Å; D26-K38 IonicContact OD1-NZ 3.67Å; D26-K38 PolarHBondContact OD1-NZ 3.5Å; D26-K38 IonicContact OD2-NZ 3.74Å; D26-K38 PolarHBondContact OD2-NZ 2.94Å
27S95.9Very high96.3Very high2 Ų250.9 Ų50.91%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-95.7137163-175.30000108.8Y36 C37 D94 M182S27-Y36 PolarHBondContact O-N 3.11Å; S27-C37 PolarHBondContact N-O 3.45Å; S27-C37 PolarHBondContact O-N 2.59Å; S27-D94 PolarHBondContact OG-OD1 3.2Å; S27-M182 PolarHBondContact OG-O 3.49Å
28Y97.6Very high96.3Very high105 Ų10546.2 Ų46.241%0.41226%0.261SS..EExtended strand (participates in β ladder)trans-104.9147.4-174.1-66.4-99.3000110.1D26 P30 E34 V35D26-Y28 HydrophobicContact CB-CE2 3.91Å; Y28-P30 WeakPolarHBondContact O-CD 3.47Å; Y28-E34 CarbonylContact C-O 3.53Å; Y28-E34 WeakPolarHBondContact CA-O 3.25Å; Y28-V35 HydrophobicContact CD1-CG2 4.14Å; Y28-V35 HydrophobicContact CE1-CG2 3.75Å
29D98.1Very high96.3Very high16 Ų1642.9 Ų42.99%0.08625%0.246CC..EExtended strand (participates in β ladder)trans-77.5108.9160.5175.8-24.1000107.5S31 T32 G33 E34 K93D29-S31 PolarHBondContact O-N 2.72Å; D29-S31 VanDerWaalsContact O-N 3.13Å; D29-S31 WeakPolarHBondContact OD1-CA 3.14Å; D29-S31 VanDerWaalsContact OD1-CB 3.29Å; D29-S31 WeakPolarHBondContact OD1-CB 3.23Å; D29-S31 PolarHBondContact OD1-N 2.99Å; D29-S31 PolarHBondContact OD1-OG 3.48Å; D29-T32 PolarHBondContact O-N 3.32Å; D29-T32 VanDerWaalsContact O-N 3.16Å; D29-T32 PolarHBondContact O-OG1 3.07Å; D29-T32 PolarHBondContact OD1-N 3.18Å; D29-G33 PolarHBondContact O-N 2.97Å; D29-E34 PolarHBondContact N-O 3.44Å; D29-K93 HydrophobicContact CB-CG 4.31Å; D29-K93 VanDerWaalsContact OD2-CE 3.24Å; D29-K93 WeakPolarHBondContact OD2-CE 3.45Å; D29-K93 WeakPolarHBondContact OD2-CG 3.37Å
30P98.5Very high96.3Very high0 Ų040.2 Ų40.20%023%0.23CC..THydrogen-bonded Turntrans-66.5-20.6-172.5-22.437.5000113.1Y28 T32 K93 A328 L329 I330 G370 Y371Y28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-T32 VanDerWaalsContact C-N 3.32Å; P30-K93 WeakPolarHBondContact CD-O 3.38Å; P30-A328 HydrophobicContact CB-CB 4.06Å; P30-A328 VanDerWaalsContact O-CB 3.29Å; P30-A328 WeakPolarHBondContact O-CB 3.48Å; P30-L329 VanDerWaalsContact CB-O 3.23Å; P30-L329 WeakPolarHBondContact CB-O 3.32Å; P30-I330 HydrophobicContact CG-CD1 4.16Å; P30-I330 WeakPolarHBondContact CG-O 3.19Å; P30-G370 CarbonylContact O-C 3.41Å; P30-G370 VanDerWaalsContact O-CA 3.23Å; P30-G370 WeakPolarHBondContact O-CA 3.03Å; P30-Y371 HydrophobicContact CB-CD2 3.76Å; P30-Y371 HydrophobicContact CB-CE2 4.17Å; P30-Y371 PolarHBondContact O-N 3.41Å
31S98.3Very high96.5Very high13 Ų1337.2 Ų37.29%0.09121%0.207CC..THydrogen-bonded Turntrans-78.3-17.4-179.481.30000113.5D29 N367 F372D29-S31 PolarHBondContact O-N 2.72Å; D29-S31 VanDerWaalsContact O-N 3.13Å; D29-S31 WeakPolarHBondContact OD1-CA 3.14Å; D29-S31 VanDerWaalsContact OD1-CB 3.29Å; D29-S31 WeakPolarHBondContact OD1-CB 3.23Å; D29-S31 PolarHBondContact OD1-N 2.99Å; D29-S31 PolarHBondContact OD1-OG 3.48Å; S31-N367 WeakPolarHBondContact O-CA 3.44Å; S31-N367 PolarHBondContact O-ND2 3.38Å; S31-F372 VanDerWaalsContact O-CE2 3.3Å; S31-F372 WeakPolarHBondContact O-CE2 3.41Å
32T98.1Very high96.9Very high26 Ų2636.5 Ų36.516%0.1620%0.203CC..THydrogen-bonded Turntrans-122.9-20.3-179.962.60000112.9D29 P30 E34 S369D29-T32 PolarHBondContact O-N 3.32Å; D29-T32 VanDerWaalsContact O-N 3.16Å; D29-T32 PolarHBondContact O-OG1 3.07Å; D29-T32 PolarHBondContact OD1-N 3.18Å; P30-T32 VanDerWaalsContact C-N 3.32Å; T32-E34 PolarHBondContact O-N 3.2Å; T32-E34 PolarHBondContact OG1-N 3.42Å; T32-S369 CarbonylContact O-C 3.17Å; T32-S369 VanDerWaalsContact O-CB 3.24Å; T32-S369 WeakPolarHBondContact O-CB 3.28Å
33G96.9Very high97.3Very high22 Ų2233.4 Ų33.423%0.22717%0.17CC..THydrogen-bonded Turntrans73.28.2-172.600000113.8D29 Y371D29-G33 PolarHBondContact O-N 2.97Å; G33-Y371 WeakPolarHBondContact CA-OH 3.36Å
34E97.1Very high97.5Very high89 Ų8935 Ų3542%0.41617%0.173SC..EExtended strand (participates in β ladder)trans-88.5153.4176.9-60.1-164.2132.700111.6R5 Y28 D29 T32 Y36R5-E34 IonicContact CZ-OE1 3.41Å; R5-E34 IonicContact CZ-OE2 2.8Å; R5-E34 VanDerWaalsContact CZ-OE2 3.26Å; R5-E34 IonicContact NH1-OE1 3.74Å; R5-E34 PolarHBondContact NH1-OE1 3.46Å; R5-E34 IonicContact NH1-OE2 2.7Å; R5-E34 PolarHBondContact NH1-OE2 2.96Å; R5-E34 IonicContact NH2-OE1 2.91Å; R5-E34 IonicContact NH2-OE2 3.39Å; R5-E34 PolarHBondContact NH2-OE2 2.7Å; Y28-E34 CarbonylContact C-O 3.53Å; Y28-E34 WeakPolarHBondContact CA-O 3.25Å; D29-E34 PolarHBondContact N-O 3.44Å; T32-E34 PolarHBondContact O-N 3.2Å; T32-E34 PolarHBondContact OG1-N 3.42Å; E34-Y36 PolarHBondContact O-N 2.8Å
35V97.4Very high97.5Very high31 Ų3139.1 Ų39.119%0.18819%0.192CC..EExtended strand (participates in β ladder)trans-66.3120.8173178.70000109.6Y7 D26 Y28Y7-V35 HydrophobicContact CD1-CB 4.42Å; Y7-V35 HydrophobicContact CD1-CG1 4.02Å; Y7-V35 HydrophobicContact CE1-CB 3.92Å; Y7-V35 HydrophobicContact CE1-CG1 3.98Å; D26-V35 HydrophobicContact CB-CG1 4.04Å; D26-V35 HydrophobicContact CB-CG2 4.11Å; D26-V35 WeakPolarHBondContact OD2-CG2 3.43Å; Y28-V35 HydrophobicContact CD1-CG2 4.14Å; Y28-V35 HydrophobicContact CE1-CG2 3.75Å
36Y96.4Very high97.6Very high48 Ų4838.9 Ų38.919%0.18819%0.19CC..EExtended strand (participates in β ladder)trans-86.2-51.9177.1178-153.2000111.6S27 E34 K93 D94 V185S27-Y36 PolarHBondContact O-N 3.11Å; E34-Y36 PolarHBondContact O-N 2.8Å; Y36-K93 HydrophobicContact CD1-CD 4.37Å; Y36-K93 HydrophobicContact CD1-CG 4.15Å; Y36-K93 HydrophobicContact CD2-CD 3.96Å; Y36-K93 VanDerWaalsContact CD2-CE 3.41Å; Y36-K93 HydrophobicContact CE1-CB 4.36Å; Y36-K93 HydrophobicContact CE1-CD 4.08Å; Y36-K93 HydrophobicContact CE1-CG 4.04Å; Y36-K93 HydrophobicContact CE2-CD 3.68Å; Y36-K93 HydrophobicContact CE2-CG 4.46Å; Y36-K93 HydrophobicContact CG-CD 4.32Å; Y36-K93 HydrophobicContact CG-CG 4.39Å; Y36-D94 HydrophobicContact CD1-CB 4.32Å; Y36-D94 HydrophobicContact CE1-CB 4.16Å; Y36-V185 HydrophobicContact CD1-CG2 4.13Å; Y36-V185 HydrophobicContact CE1-CB 4.25Å; Y36-V185 HydrophobicContact CE1-CG1 4.29Å; Y36-V185 HydrophobicContact CE1-CG2 3.65Å
37C96.8Very high97.7Very high0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-148165.8-177.473.20000112.7L8 S27L8-C37 HydrophobicContact CB-CB 3.8Å; L8-C37 HydrophobicContact CD2-CB 4.11Å; L8-C37 HydrophobicContact CG-CB 4.04Å; L8-C37 CarbonylContact O-C 3.56Å; L8-C37 VanDerWaalsContact O-CA 3.22Å; L8-C37 WeakPolarHBondContact O-CA 3.27Å; L8-C37 VanDerWaalsContact O-CB 3.24Å; L8-C37 WeakPolarHBondContact O-CB 3.24Å; S27-C37 PolarHBondContact N-O 3.45Å; S27-C37 PolarHBondContact O-N 2.59Å
38K97.7Very high97.8Very high52 Ų5238.2 Ų38.223%0.22619%0.187CC..EExtended strand (participates in β ladder)trans-101.8119.2170.7-59.5-61.8-168.5176.80108.3L8 V9 L10 H24 I25 D26L8-K38 PolarHBondContact O-N 3.5Å; V9-K38 HydrophobicContact CG1-CB 4.38Å; V9-K38 HydrophobicContact CG2-CB 4.25Å; V9-K38 HydrophobicContact CG2-CG 4.49Å; L10-K38 PolarHBondContact N-O 2.95Å; H24-K38 HydrophobicContact CB-CB 4.05Å; I25-K38 WeakPolarHBondContact O-CA 3.47Å; D26-K38 WeakPolarHBondContact OD1-CD 3.38Å; D26-K38 WeakPolarHBondContact OD1-CE 3.35Å; D26-K38 IonicContact OD1-NZ 3.67Å; D26-K38 PolarHBondContact OD1-NZ 3.5Å; D26-K38 IonicContact OD2-NZ 3.74Å; D26-K38 PolarHBondContact OD2-NZ 2.94Å
39V98.1Very high97.9Very high0 Ų035.5 Ų35.50%019%0.186CC..EExtended strand (participates in β ladder)trans-101.6138.3-179.1-177.70000108.7L10 H24 I25 D41 F208L10-V39 HydrophobicContact CD1-CG1 4.47Å; L10-V39 HydrophobicContact CD1-CG2 3.94Å; H24-V39 CarbonylContact C-O 3.11Å; H24-V39 WeakPolarHBondContact CA-O 3.31Å; H24-V39 WeakPolarHBondContact CB-O 3.46Å; I25-V39 HydrophobicContact CG1-CB 3.98Å; I25-V39 WeakPolarHBondContact CG1-O 3.44Å; I25-V39 PolarHBondContact N-O 3.44Å; I25-V39 PolarHBondContact O-N 2.95Å; V39-D41 PolarHBondContact O-N 3.36Å; V39-F208 HydrophobicContact CG1-CB 3.61Å; V39-F208 HydrophobicContact CG1-CD1 4.21Å; V39-F208 HydrophobicContact CG1-CG 4.13Å
40P98.1Very high97.9Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-53.3135.9173-27.633.2000112.1L10 C21 F208 G209L10-P40 WeakPolarHBondContact O-CD 3.49Å; L10-P40 VanDerWaalsContact O-CG 3.3Å; L10-P40 WeakPolarHBondContact O-CG 3.39Å; C21-P40 HydrophobicContact CB-CB 3.71Å; C21-P40 HydrophobicContact CB-CG 4.44Å; P40-F208 HydrophobicContact CB-CB 4.08Å; P40-F208 HydrophobicContact CG-CB 4.21Å; P40-F208 HydrophobicContact CG-CD2 4.28Å; P40-F208 CarbonylContact O-C 3.58Å; P40-F208 VanDerWaalsContact O-O 3.12Å; P40-G209 VanDerWaalsContact O-CA 3.24Å; P40-G209 WeakPolarHBondContact O-CA 3.47Å; P40-G209 PolarHBondContact O-N 2.9Å
41D97.8Very high97.9Very high23 Ų2334.8 Ų34.812%0.12318%0.182CC..  trans-103.961.2169-169.930.1000110.9N23 I25 V39 T210 R213N23-D41 HydrophobicContact CB-CB 4.41Å; N23-D41 PolarHBondContact O-N 2.78Å; I25-D41 HydrophobicContact CD1-CB 4.4Å; I25-D41 HydrophobicContact CG1-CB 4.42Å; I25-D41 HydrophobicContact CG2-CB 3.92Å; V39-D41 PolarHBondContact O-N 3.36Å; D41-T210 PolarHBondContact OD1-N 2.85Å; D41-T210 VanDerWaalsContact OD1-N 3.11Å; D41-T210 PolarHBondContact OD1-OG1 2.92Å; D41-R213 PolarHBondContact O-NE 2.82Å; D41-R213 VanDerWaalsContact O-NE 3.13Å; D41-R213 PolarHBondContact O-NH2 2.95Å; D41-R213 VanDerWaalsContact O-NH2 3.08Å; D41-R213 WeakPolarHBondContact OD1-CD 3.44Å; D41-R213 IonicContact OD1-NE 3.54Å; D41-R213 WeakPolarHBondContact OD2-CD 3.24Å; D41-R213 IonicContact OD2-CZ 3.01Å; D41-R213 IonicContact OD2-NE 3.88Å; D41-R213 PolarHBondContact OD2-NE 3.31Å
42S98.3Very high97.9Very high0 Ų036.9 Ų36.90%020%0.2CC..  trans-65.3158.7-175.5-410000111.3N12 E46 F208 R213 A214N12-S42 PolarHBondContact ND2-OG 3.05Å; N12-S42 PolarHBondContact OD1-OG 2.99Å; N12-S42 VanDerWaalsContact OD1-OG 3.14Å; S42-E46 WeakPolarHBondContact CB-OE2 3.4Å; S42-F208 WeakPolarHBondContact CB-O 3.47Å; S42-F208 PolarHBondContact N-O 3.33Å; S42-F208 VanDerWaalsContact N-O 3.11Å; S42-F208 PolarHBondContact OG-O 3.24Å; S42-R213 VanDerWaalsContact O-CB 3.32Å; S42-R213 WeakPolarHBondContact O-CB 3.45Å; S42-A214 PolarHBondContact O-N 2.9Å
43G96.9Very high98Very high8 Ų836.3 Ų36.38%0.08220%0.198CC..  trans-132.3-146.2179.500000111.8E45 E46 V47G43-E45 VanDerWaalsContact C-N 3.3Å; G43-E45 PolarHBondContact O-N 2.74Å; G43-E46 PolarHBondContact N-OE2 2.93Å; G43-V47 VanDerWaalsContact O-CG2 3.31Å; G43-V47 WeakPolarHBondContact O-CG2 3.48Å; G43-V47 PolarHBondContact O-N 3.3Å
44K97.8Very high98.1Very high127 Ų12735.3 Ų35.355%0.55219%0.187SC*.Hα-helixtrans-58.5-39.7-177.7176.8167.7170.745.10113V47 D48 A217K44-V47 PolarHBondContact O-N 3.41Å; K44-D48 WeakPolarHBondContact CE-OD2 3.45Å; K44-D48 WeakPolarHBondContact CG-OD2 3.4Å; K44-D48 IonicContact NZ-OD1 3.29Å; K44-D48 PolarHBondContact NZ-OD1 2.84Å; K44-D48 IonicContact NZ-OD2 3.74Å; K44-D48 PolarHBondContact NZ-OD2 3.42Å; K44-D48 WeakPolarHBondContact O-CB 3.36Å; K44-D48 PolarHBondContact O-N 2.95Å; K44-A217 HydrophobicContact CB-CB 4.22Å
45E97.9Very high98.2Very high159 Ų15935.4 Ų35.474%0.74319%0.187SC*.Hα-helixtrans-63.6-49.1-174.4-67.7169.1-166.700112.2G43 D48 A49G43-E45 VanDerWaalsContact C-N 3.3Å; G43-E45 PolarHBondContact O-N 2.74Å; E45-D48 PolarHBondContact O-N 3.34Å; E45-A49 PolarHBondContact O-N 2.87Å
46E98.6Very high98.2Very high34 Ų3441.9 Ų41.916%0.15922%0.215CC..Hα-helixtrans-69.7-33.7177.5-62.584.1178.500112.4I14 C21 S42 G43 A49 A50 V207I14-E46 HydrophobicContact CD1-CB 4.12Å; C21-E46 PolarHBondContact SG-OE1 2.86Å; S42-E46 WeakPolarHBondContact CB-OE2 3.4Å; G43-E46 PolarHBondContact N-OE2 2.93Å; E46-A49 PolarHBondContact O-N 2.93Å; E46-A50 WeakPolarHBondContact O-CB 3.26Å; E46-A50 PolarHBondContact O-N 3.35Å; E46-V207 HydrophobicContact CB-CG1 4.12Å
47V98.8Very high98.4Very high2 Ų240.2 Ų40.21%0.01221%0.211CC..Hα-helixtrans-64.4-46.6173.81700000110.8G43 K44 A49 A50 V51 V207 A214 A217 L218G43-V47 VanDerWaalsContact O-CG2 3.31Å; G43-V47 WeakPolarHBondContact O-CG2 3.48Å; G43-V47 PolarHBondContact O-N 3.3Å; K44-V47 PolarHBondContact O-N 3.41Å; V47-A49 VanDerWaalsContact C-N 3.3Å; V47-A49 PolarHBondContact O-N 3.16Å; V47-A50 PolarHBondContact O-N 2.87Å; V47-V51 HydrophobicContact CG1-CG2 4.3Å; V47-V51 VanDerWaalsContact O-CG2 3.32Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 3.28Å; V47-V207 HydrophobicContact CG2-CG1 4.1Å; V47-A214 HydrophobicContact CG2-CB 4.35Å; V47-A217 HydrophobicContact CB-CB 4.14Å; V47-A217 HydrophobicContact CG1-CB 4.22Å; V47-A217 HydrophobicContact CG2-CB 4.08Å; V47-L218 HydrophobicContact CG1-CB 4.13Å; V47-L218 HydrophobicContact CG1-CD1 4.29Å
48D98.8Very high98.5Very high48 Ų4842.5 Ų42.526%0.25722%0.221SC..Hα-helixtrans-60.5-42178.1-69.8-9.1000110.5K44 E45 V51 A52 H221K44-D48 WeakPolarHBondContact CE-OD2 3.45Å; K44-D48 WeakPolarHBondContact CG-OD2 3.4Å; K44-D48 IonicContact NZ-OD1 3.29Å; K44-D48 PolarHBondContact NZ-OD1 2.84Å; K44-D48 IonicContact NZ-OD2 3.74Å; K44-D48 PolarHBondContact NZ-OD2 3.42Å; K44-D48 WeakPolarHBondContact O-CB 3.36Å; K44-D48 PolarHBondContact O-N 2.95Å; E45-D48 PolarHBondContact O-N 3.34Å; D48-V51 PolarHBondContact O-N 3.05Å; D48-A52 WeakPolarHBondContact O-CB 3.17Å; D48-A52 PolarHBondContact O-N 3.29Å; D48-H221 IonicContact OD1-CD2 3.72Å; D48-H221 PolarHBondContact OD1-CD2 2.62Å; D48-H221 VanDerWaalsContact OD1-CD2 3.24Å; D48-H221 IonicContact OD1-NE2 3.65Å; D48-H221 PolarHBondContact OD1-NE2 3.02Å
49A98.8Very high98.5Very high48 Ų4844 Ų4440%0.39724%0.236SC..Hα-helixtrans-63.8-43175.700000112.6I14 E45 E46 V47 A52 A53I14-A49 HydrophobicContact CG2-CB 4.37Å; E45-A49 PolarHBondContact O-N 2.87Å; E46-A49 PolarHBondContact O-N 2.93Å; V47-A49 VanDerWaalsContact C-N 3.3Å; V47-A49 PolarHBondContact O-N 3.16Å; A49-A52 PolarHBondContact O-N 3.39Å; A49-A53 PolarHBondContact O-N 3.06Å
50A98.9Very high98.5Very high0 Ų048.3 Ų48.30%026%0.259CS..Hα-helixtrans-64.3-41.1175.800000112.3I14 E46 V47 A53 A54 V176 N205 V207I14-A50 HydrophobicContact CD1-CB 4.46Å; I14-A50 HydrophobicContact CG1-CB 4.21Å; I14-A50 HydrophobicContact CG2-CB 4.43Å; E46-A50 WeakPolarHBondContact O-CB 3.26Å; E46-A50 PolarHBondContact O-N 3.35Å; V47-A50 PolarHBondContact O-N 2.87Å; A50-A53 PolarHBondContact O-N 2.84Å; A50-A54 WeakPolarHBondContact O-CB 3.38Å; A50-A54 PolarHBondContact O-N 3.02Å; A50-V176 HydrophobicContact CB-CG1 3.85Å; A50-V176 HydrophobicContact CB-CG2 4.01Å; A50-N205 HydrophobicContact CB-CB 3.87Å; A50-V207 HydrophobicContact CB-CG2 3.57Å
51V98.9Very high98.6Very high1 Ų148.4 Ų48.41%0.00626%0.259CS..Hα-helixtrans-67.3-40.5176.3174.90000110.8V47 D48 A53 A54 K55 V176 H221 D223 V224V47-V51 HydrophobicContact CG1-CG2 4.3Å; V47-V51 VanDerWaalsContact O-CG2 3.32Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 3.28Å; D48-V51 PolarHBondContact O-N 3.05Å; V51-A53 PolarHBondContact O-N 3.41Å; V51-A54 PolarHBondContact O-N 3.17Å; V51-K55 HydrophobicContact CG1-CD 4.16Å; V51-K55 HydrophobicContact CG1-CG 4.3Å; V51-K55 WeakPolarHBondContact O-CG 3.4Å; V51-K55 PolarHBondContact O-N 2.77Å; V51-V176 HydrophobicContact CG2-CG2 3.91Å; V51-H221 VanDerWaalsContact CG1-CE1 3.44Å; V51-H221 WeakPolarHBondContact CG1-CE1 3.49Å; V51-D223 HydrophobicContact CG1-CB 3.86Å; V51-V224 HydrophobicContact CG1-CG2 4.13Å; V51-V224 HydrophobicContact CG2-CG2 3.62Å
52A98.9Very high98.6Very high56 Ų5648.9 Ų48.946%0.46326%0.264SS..Hα-helixtrans-59-47.5175.200000111.7D48 A49 A54 K55 E56D48-A52 WeakPolarHBondContact O-CB 3.17Å; D48-A52 PolarHBondContact O-N 3.29Å; A49-A52 PolarHBondContact O-N 3.39Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 2.97Å; A52-K55 PolarHBondContact O-N 2.91Å; A52-E56 PolarHBondContact O-N 3.37Å
53A98.9Very high98.6Very high15 Ų1552.8 Ų52.812%0.12430%0.297CS..Hα-helixtrans-61.7-40.9175.500000112.4I14 A49 A50 V51 E56 A57I14-A53 HydrophobicContact CG2-CB 4.47Å; A49-A53 PolarHBondContact O-N 3.06Å; A50-A53 PolarHBondContact O-N 2.84Å; V51-A53 PolarHBondContact O-N 3.41Å; A53-E56 PolarHBondContact O-N 3.35Å; A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 3.23Å
54A98.9Very high98.6Very high0 Ų055.6 Ų55.60%031%0.305CS..Hα-helixtrans-63.6-39.5176.100000112.9A50 V51 A52 F58 V147 T174 V176 G202A50-A54 WeakPolarHBondContact O-CB 3.38Å; A50-A54 PolarHBondContact O-N 3.02Å; V51-A54 PolarHBondContact O-N 3.17Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 2.97Å; A54-F58 WeakPolarHBondContact O-CB 3.49Å; A54-F58 PolarHBondContact O-N 2.94Å; A54-V147 HydrophobicContact CB-CB 4.43Å; A54-V147 HydrophobicContact CB-CG1 3.72Å; A54-V147 HydrophobicContact CB-CG2 3.87Å; A54-T174 WeakPolarHBondContact O-CB 3.35Å; A54-T174 WeakPolarHBondContact O-CG2 3.35Å; A54-T174 PolarHBondContact O-OG1 3.36Å; A54-V176 HydrophobicContact CB-CG2 4.03Å; A54-G202 VanDerWaalsContact CA-O 3.29Å; A54-G202 WeakPolarHBondContact CA-O 3.3Å
55K98.8Very high98.6Very high92 Ų9251.8 Ų51.840%0.429%0.294SS..Hα-helixtrans-66.9-42.3175.8-71.8176.175.6172.90111.7V51 A52 A57 F58 P59 V147 D223V51-K55 HydrophobicContact CG1-CD 4.16Å; V51-K55 HydrophobicContact CG1-CG 4.3Å; V51-K55 WeakPolarHBondContact O-CG 3.4Å; V51-K55 PolarHBondContact O-N 2.77Å; A52-K55 PolarHBondContact O-N 2.91Å; K55-A57 VanDerWaalsContact C-N 3.33Å; K55-A57 PolarHBondContact O-N 2.86Å; K55-F58 PolarHBondContact O-N 2.92Å; K55-P59 WeakPolarHBondContact O-CD 3.31Å; K55-V147 HydrophobicContact CG-CG2 3.75Å; K55-D223 HydrophobicContact CD-CB 3.72Å; K55-D223 HydrophobicContact CG-CB 4.48Å; K55-D223 IonicContact NZ-OD1 2.63Å; K55-D223 PolarHBondContact NZ-OD1 3.47Å; K55-D223 IonicContact NZ-OD2 2.8Å; K55-D223 PolarHBondContact NZ-OD2 2.9Å
56E98.9Very high98.6Very high166 Ų16646.9 Ų46.978%0.77628%0.276SS*.Hα-helixtrans-62.9-40.6179.2-173.5178.117200111.7A52 A53 P59A52-E56 PolarHBondContact O-N 3.37Å; A53-E56 PolarHBondContact O-N 3.35Å; E56-P59 WeakPolarHBondContact O-CD 3.44Å
57A98.9Very high98.6Very high13 Ų1349.6 Ų49.611%0.10729%0.289CS..Hα-helixtrans-76.1-20.2179.600000114.4A53 K55 D60 W61 T174 P201 V203A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 3.23Å; K55-A57 VanDerWaalsContact C-N 3.33Å; K55-A57 PolarHBondContact O-N 2.86Å; A57-D60 PolarHBondContact O-N 3.35Å; A57-W61 PolarHBondContact O-N 2.75Å; A57-W61 VanDerWaalsContact O-N 3.14Å; A57-T174 HydrophobicContact CB-CG2 4.17Å; A57-P201 WeakPolarHBondContact CB-O 3.36Å; A57-V203 HydrophobicContact CB-CG2 4.04Å
58F98.9Very high98.6Very high49 Ų4954.3 Ų54.322%0.21531%0.311CS..Hα-helixtrans-61.5-45-170.5176.3-103.6000114.5A54 K55 D60 W61 S62 P144 G146 G172 T174A54-F58 WeakPolarHBondContact O-CB 3.49Å; A54-F58 PolarHBondContact O-N 2.94Å; K55-F58 PolarHBondContact O-N 2.92Å; F58-D60 PolarHBondContact O-N 3.47Å; F58-W61 PolarHBondContact O-N 2.75Å; F58-S62 VanDerWaalsContact O-CB 3.23Å; F58-S62 WeakPolarHBondContact O-CB 3.45Å; F58-S62 PolarHBondContact O-N 2.82Å; F58-S62 PolarHBondContact O-OG 2.93Å; F58-P144 HydrophobicContact CE2-CB 3.99Å; F58-P144 HydrophobicContact CE2-CG 4.01Å; F58-P144 HydrophobicContact CZ-CB 4.28Å; F58-P144 HydrophobicContact CZ-CG 4Å; F58-G146 VanDerWaalsContact CE2-CA 3.48Å; F58-G172 WeakPolarHBondContact CE2-O 3.41Å; F58-T174 HydrophobicContact CB-CG2 3.91Å; F58-T174 HydrophobicContact CD2-CG2 4.28Å
59P98.7Very high98.6Very high84 Ų8452.8 Ų52.855%0.54530%0.302SS..Hα-helixtrans-58.8-42.9179.8-26.636.2000113.8K55 E56 S62 A63K55-P59 WeakPolarHBondContact O-CD 3.31Å; E56-P59 WeakPolarHBondContact O-CD 3.44Å; P59-S62 PolarHBondContact O-OG 3.32Å; P59-A63 WeakPolarHBondContact O-CB 3.43Å; P59-A63 PolarHBondContact O-N 3.42Å
60D98.6Very high98.6Very high90 Ų9050.6 Ų50.648%0.48128%0.283SS..Hα-helixtrans-67.8-50.2177.4-178.973.1000111.1A57 F58 S62 A63 R64A57-D60 PolarHBondContact O-N 3.35Å; F58-D60 PolarHBondContact O-N 3.47Å; D60-S62 PolarHBondContact O-N 2.93Å; D60-A63 PolarHBondContact O-N 3.04Å; D60-R64 PolarHBondContact O-N 2.89Å; D60-R64 IonicContact OD2-CZ 3.47Å; D60-R64 IonicContact OD2-NE 3.21Å; D60-R64 PolarHBondContact OD2-NE 2.95Å; D60-R64 IonicContact OD2-NH2 2.83Å; D60-R64 PolarHBondContact OD2-NH2 3.19Å
61W98.8Very high98.5Very high1 Ų154.5 Ų54.50%0.00430%0.304CS..Hα-helixtrans-65.5-41.9-174.6-176.9-114.5000113.2A57 F58 A63 R64 R69 V72 I169 N173 T174 P200 V203A57-W61 PolarHBondContact O-N 2.75Å; A57-W61 VanDerWaalsContact O-N 3.14Å; F58-W61 PolarHBondContact O-N 2.75Å; W61-A63 VanDerWaalsContact C-N 3.27Å; W61-A63 PolarHBondContact O-N 3.36Å; W61-R64 PolarHBondContact O-N 3.48Å; W61-R69 HydrophobicContact CD2-CG 4.36Å; W61-R69 VanDerWaalsContact CE2-CD 3.49Å; W61-R69 HydrophobicContact CE3-CG 4.43Å; W61-R69 HydrophobicContact CH2-CB 3.87Å; W61-R69 HydrophobicContact CH2-CG 3.64Å; W61-R69 HydrophobicContact CZ2-CB 3.81Å; W61-R69 HydrophobicContact CZ2-CG 3.53Å; W61-R69 HydrophobicContact CZ3-CG 4.1Å; W61-V72 HydrophobicContact CH2-CB 4.2Å; W61-V72 HydrophobicContact CH2-CG1 4.31Å; W61-V72 HydrophobicContact CH2-CG2 4.27Å; W61-V72 HydrophobicContact CZ3-CG2 4.39Å; W61-I169 HydrophobicContact CZ2-CB 4.1Å; W61-I169 WeakPolarHBondContact CZ2-O 3.08Å; W61-I169 PolarHBondContact NE1-O 2.87Å; W61-I169 VanDerWaalsContact NE1-O 3.1Å; W61-N173 VanDerWaalsContact CD1-O 3.24Å; W61-N173 PolarHBondContact NE1-O 3.25Å; W61-T174 HydrophobicContact CB-CG2 4.38Å; W61-P200 HydrophobicContact CE3-CG 3.95Å; W61-P200 HydrophobicContact CZ3-CG 4.21Å; W61-V203 HydrophobicContact CB-CG2 3.74Å; W61-V203 HydrophobicContact CD2-CG1 3.81Å; W61-V203 HydrophobicContact CD2-CG2 3.96Å; W61-V203 HydrophobicContact CE3-CG1 4.44Å; W61-V203 HydrophobicContact CE3-CG2 4.19Å; W61-V203 HydrophobicContact CG-CG1 3.88Å; W61-V203 HydrophobicContact CG-CG2 3.74Å; W61-V203 HydrophobicContact CZ2-CG1 4.35Å
62S98.3Very high98.5Very high33 Ų3355.1 Ų55.123%0.23131%0.308CS..Hα-helixtrans-66.9-28.5178.462.30000112.8F58 P59 D60 R69F58-S62 VanDerWaalsContact O-CB 3.23Å; F58-S62 WeakPolarHBondContact O-CB 3.45Å; F58-S62 PolarHBondContact O-N 2.82Å; F58-S62 PolarHBondContact O-OG 2.93Å; P59-S62 PolarHBondContact O-OG 3.32Å; D60-S62 PolarHBondContact O-N 2.93Å; S62-R69 PolarHBondContact O-NH1 2.84Å
63A98Very high98.5Very high82 Ų8252.5 Ų52.568%0.67829%0.286SS*.Hα-helixtrans-77.6-17.7177.500000113.9P59 D60 W61P59-A63 WeakPolarHBondContact O-CB 3.43Å; P59-A63 PolarHBondContact O-N 3.42Å; D60-A63 PolarHBondContact O-N 3.04Å; W61-A63 VanDerWaalsContact C-N 3.27Å; W61-A63 PolarHBondContact O-N 3.36Å
64R98.4Very high98.5Very high68 Ų6854.2 Ų54.226%0.25729%0.293SS..SBendtrans-61.5149176.2-64.6-172.5-172.1-160.6-3.5111D60 W61 Q68 R69 P200D60-R64 PolarHBondContact O-N 2.89Å; D60-R64 IonicContact OD2-CZ 3.47Å; D60-R64 IonicContact OD2-NE 3.21Å; D60-R64 PolarHBondContact OD2-NE 2.95Å; D60-R64 IonicContact OD2-NH2 2.83Å; D60-R64 PolarHBondContact OD2-NH2 3.19Å; W61-R64 PolarHBondContact O-N 3.48Å; R64-Q68 HydrophobicContact CB-CB 4.2Å; R64-R69 HydrophobicContact CB-CG 3.95Å; R64-R69 PolarHBondContact O-NH1 2.82Å; R64-P200 VanDerWaalsContact CZ-CG 3.44Å
65S97.6Very high98.5Very high46 Ų4659 Ų5932%0.32231%0.314SS..  trans-66.7154.3172.963.70000111.2Q67 Q68 R69S65-Q67 PolarHBondContact O-N 3.5Å; S65-Q68 PolarHBondContact O-N 2.94Å; S65-Q68 VanDerWaalsContact O-N 3.16Å; S65-Q68 VanDerWaalsContact OG-CG 3.31Å; S65-Q68 WeakPolarHBondContact OG-CG 3.26Å; S65-Q68 PolarHBondContact OG-N 3.38Å; S65-Q68 PolarHBondContact OG-OE1 3.31Å; S65-R69 PolarHBondContact O-N 3.01Å; S65-R69 VanDerWaalsContact O-N 3.14Å
66P97.1Very high98.5Very high57 Ų5754.7 Ų54.737%0.3730%0.295SS..Hα-helixtrans-50.4-37.4170.6-29.837000113.4R69 G70 V121 L122P66-R69 PolarHBondContact O-N 2.79Å; P66-G70 PolarHBondContact O-N 3Å; P66-V121 HydrophobicContact CB-CG1 4.24Å; P66-V121 HydrophobicContact CB-CG2 4.25Å; P66-L122 HydrophobicContact CB-CD2 4.03Å
67Q98.4Very high98.5Very high90 Ų9046.8 Ų46.842%0.42126%0.258SS..Hα-helixtrans-62.1-52.2176.7-173.562.85400112.1S65 R69 G70 D71 L122S65-Q67 PolarHBondContact O-N 3.5Å; Q67-R69 VanDerWaalsContact C-N 3.25Å; Q67-R69 PolarHBondContact O-N 2.99Å; Q67-G70 CarbonylContact O-C 3.59Å; Q67-G70 WeakPolarHBondContact O-CA 3.31Å; Q67-G70 PolarHBondContact O-N 2.68Å; Q67-D71 PolarHBondContact NE2-OD1 2.9Å; Q67-D71 VanDerWaalsContact O-CG 3.24Å; Q67-D71 PolarHBondContact O-N 2.81Å; Q67-L122 HydrophobicContact CB-CD2 4.31Å
68Q98.5Very high98.5Very high101 Ų10150 Ų5047%0.47227%0.273SS..Hα-helixtrans-59.8-36.8179.9-73.9165.7-48.400112.4R64 S65R64-Q68 HydrophobicContact CB-CB 4.2Å; S65-Q68 PolarHBondContact O-N 2.94Å; S65-Q68 VanDerWaalsContact O-N 3.16Å; S65-Q68 VanDerWaalsContact OG-CG 3.31Å; S65-Q68 WeakPolarHBondContact OG-CG 3.26Å; S65-Q68 PolarHBondContact OG-N 3.38Å; S65-Q68 PolarHBondContact OG-OE1 3.31Å
69R98.6Very high98.5Very high17 Ų1748.4 Ų48.46%0.06427%0.267CS..Hα-helixtrans-69.5-45.2173.7-62.4-164.1-63.4-92.5-9.5110.9W61 S62 R64 S65 P66 Q67 D71 V72 L73 I169 A170W61-R69 HydrophobicContact CD2-CG 4.36Å; W61-R69 VanDerWaalsContact CE2-CD 3.49Å; W61-R69 HydrophobicContact CE3-CG 4.43Å; W61-R69 HydrophobicContact CH2-CB 3.87Å; W61-R69 HydrophobicContact CH2-CG 3.64Å; W61-R69 HydrophobicContact CZ2-CB 3.81Å; W61-R69 HydrophobicContact CZ2-CG 3.53Å; W61-R69 HydrophobicContact CZ3-CG 4.1Å; S62-R69 PolarHBondContact O-NH1 2.84Å; R64-R69 HydrophobicContact CB-CG 3.95Å; R64-R69 PolarHBondContact O-NH1 2.82Å; S65-R69 PolarHBondContact O-N 3.01Å; S65-R69 VanDerWaalsContact O-N 3.14Å; P66-R69 PolarHBondContact O-N 2.79Å; Q67-R69 VanDerWaalsContact C-N 3.25Å; Q67-R69 PolarHBondContact O-N 2.99Å; R69-D71 VanDerWaalsContact C-N 3.29Å; R69-D71 PolarHBondContact O-N 3.36Å; R69-V72 WeakPolarHBondContact O-CB 3.38Å; R69-V72 PolarHBondContact O-N 2.93Å; R69-V72 VanDerWaalsContact O-N 3.17Å; R69-L73 WeakPolarHBondContact O-CD1 3.22Å; R69-L73 PolarHBondContact O-N 2.86Å; R69-L73 VanDerWaalsContact O-N 3.1Å; R69-I169 WeakPolarHBondContact CD-O 3.4Å; R69-A170 PolarHBondContact NE-O 3.2Å; R69-A170 PolarHBondContact NH2-O 2.82Å
70G98.5Very high98.5Very high1 Ų144.4 Ų44.41%0.0124%0.241CC..Hα-helixtrans-55.7-40.2176.400000113.5P66 Q67 V72 L73 N74 A118P66-G70 PolarHBondContact O-N 3Å; Q67-G70 CarbonylContact O-C 3.59Å; Q67-G70 WeakPolarHBondContact O-CA 3.31Å; Q67-G70 PolarHBondContact O-N 2.68Å; G70-V72 VanDerWaalsContact C-N 3.35Å; G70-V72 PolarHBondContact O-N 3.2Å; G70-L73 PolarHBondContact O-N 3.35Å; G70-N74 PolarHBondContact O-N 2.85Å; G70-N74 PolarHBondContact O-ND2 2.98Å; G70-A118 WeakPolarHBondContact O-CB 3.48Å
71D98.7Very high98.5Very high83 Ų8343.7 Ų43.744%0.44424%0.235SC..Hα-helixtrans-61.2-41.9177.3-63.4-22.9000112Q67 R69 N74 K75Q67-D71 PolarHBondContact NE2-OD1 2.9Å; Q67-D71 VanDerWaalsContact O-CG 3.24Å; Q67-D71 PolarHBondContact O-N 2.81Å; R69-D71 VanDerWaalsContact C-N 3.29Å; R69-D71 PolarHBondContact O-N 3.36Å; D71-N74 PolarHBondContact O-N 2.8Å; D71-K75 WeakPolarHBondContact O-CB 3.45Å; D71-K75 PolarHBondContact O-N 3.14Å
72V98.8Very high98.5Very high14 Ų1447.5 Ų47.59%0.08527%0.267CS..Hα-helixtrans-63.8-43.7174.7173.50000111.1W61 R69 G70 K75 L76 V199W61-V72 HydrophobicContact CH2-CB 4.2Å; W61-V72 HydrophobicContact CH2-CG1 4.31Å; W61-V72 HydrophobicContact CH2-CG2 4.27Å; W61-V72 HydrophobicContact CZ3-CG2 4.39Å; R69-V72 WeakPolarHBondContact O-CB 3.38Å; R69-V72 PolarHBondContact O-N 2.93Å; R69-V72 VanDerWaalsContact O-N 3.17Å; G70-V72 VanDerWaalsContact C-N 3.35Å; G70-V72 PolarHBondContact O-N 3.2Å; V72-K75 PolarHBondContact O-N 2.87Å; V72-L76 WeakPolarHBondContact O-CB 3.49Å; V72-L76 PolarHBondContact O-N 2.92Å; V72-V199 HydrophobicContact CG1-CB 4.46Å; V72-V199 HydrophobicContact CG1-CG2 3.58Å
73L98.8Very high98.5Very high0 Ų048.6 Ų48.60%027%0.27CS..Hα-helixtrans-64.2-42.1178.4-85.377000111.8R69 G70 L76 A77 F114 F117 A118 I169 A170R69-L73 WeakPolarHBondContact O-CD1 3.22Å; R69-L73 PolarHBondContact O-N 2.86Å; R69-L73 VanDerWaalsContact O-N 3.1Å; G70-L73 PolarHBondContact O-N 3.35Å; L73-L76 PolarHBondContact O-N 2.77Å; L73-A77 PolarHBondContact O-N 2.85Å; L73-F114 HydrophobicContact CB-CB 4.43Å; L73-F114 HydrophobicContact CB-CD1 4.44Å; L73-F114 HydrophobicContact CD2-CD1 4.19Å; L73-F114 HydrophobicContact CG-CD1 3.98Å; L73-F117 HydrophobicContact CD2-CB 4.09Å; L73-A118 HydrophobicContact CB-CB 3.75Å; L73-I169 HydrophobicContact CD1-CD1 3.71Å; L73-I169 HydrophobicContact CD1-CG1 3.92Å; L73-I169 HydrophobicContact CG-CD1 4.08Å; L73-I169 HydrophobicContact CG-CG1 4.34Å; L73-A170 HydrophobicContact CD2-CB 3.79Å
74N98.8Very high98.5Very high51 Ų5147 Ų4727%0.27325%0.249SC..Hα-helixtrans-62.1-45.8175.4-78.3-35.4000111.2G70 D71 L76 A77 D78 A118G70-N74 PolarHBondContact O-N 2.85Å; G70-N74 PolarHBondContact O-ND2 2.98Å; D71-N74 PolarHBondContact O-N 2.8Å; N74-L76 VanDerWaalsContact C-N 3.31Å; N74-L76 PolarHBondContact O-N 2.89Å; N74-A77 WeakPolarHBondContact O-CB 3.26Å; N74-A77 PolarHBondContact O-N 3.34Å; N74-A77 VanDerWaalsContact O-N 3.12Å; N74-D78 PolarHBondContact O-N 3.44Å; N74-A118 VanDerWaalsContact OD1-CB 3.31Å; N74-A118 WeakPolarHBondContact OD1-CB 3.27Å
75K98.8Very high98.5Very high102 Ų10247.9 Ų47.944%0.44326%0.256SS..Hα-helixtrans-61.2-40.1177.2-167.2174.6-177.4-165.20112.2D71 V72 A77 D78 L79 E196D71-K75 WeakPolarHBondContact O-CB 3.45Å; D71-K75 PolarHBondContact O-N 3.14Å; V72-K75 PolarHBondContact O-N 2.87Å; K75-A77 VanDerWaalsContact C-N 3.34Å; K75-D78 PolarHBondContact O-N 3.45Å; K75-L79 HydrophobicContact CG-CD1 4.45Å; K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 3.32Å; K75-E196 WeakPolarHBondContact CE-O 3.37Å; K75-E196 PolarHBondContact NZ-O 3.45Å
76L98.7Very high98.6Very high0 Ų050.5 Ų50.50%027%0.267CS..Hα-helixtrans-63.9-39.4175-175.856.7000112V72 L73 N74 L79 I80 F114 L193 L194 A197V72-L76 WeakPolarHBondContact O-CB 3.49Å; V72-L76 PolarHBondContact O-N 2.92Å; L73-L76 PolarHBondContact O-N 2.77Å; N74-L76 VanDerWaalsContact C-N 3.31Å; N74-L76 PolarHBondContact O-N 2.89Å; L76-L79 PolarHBondContact O-N 3.18Å; L76-I80 HydrophobicContact CG-CD1 4.33Å; L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 2.83Å; L76-F114 HydrophobicContact CD2-CD1 4.13Å; L76-F114 HydrophobicContact CD2-CD2 4.2Å; L76-F114 HydrophobicContact CD2-CE1 3.64Å; L76-F114 HydrophobicContact CD2-CE2 3.69Å; L76-F114 HydrophobicContact CD2-CG 4.4Å; L76-F114 HydrophobicContact CD2-CZ 3.39Å; L76-F114 HydrophobicContact CG-CD2 4.26Å; L76-F114 HydrophobicContact CG-CE2 4.06Å; L76-F114 HydrophobicContact CG-CZ 4.26Å; L76-L193 HydrophobicContact CD1-CB 3.87Å; L76-L194 HydrophobicContact CD1-CD2 4.4Å; L76-L194 HydrophobicContact CD2-CD2 4.01Å; L76-A197 HydrophobicContact CB-CB 3.78Å; L76-A197 HydrophobicContact CD1-CB 4.03Å; L76-A197 HydrophobicContact CG-CB 4.45Å
77A98.8Very high98.6Very high0 Ų047.9 Ų47.90%025%0.249CC..Hα-helixtrans-61.9-44.5174.100000111.9L73 N74 K75 L79 I80 E81 A111 F114 R115L73-A77 PolarHBondContact O-N 2.85Å; N74-A77 WeakPolarHBondContact O-CB 3.26Å; N74-A77 PolarHBondContact O-N 3.34Å; N74-A77 VanDerWaalsContact O-N 3.12Å; K75-A77 VanDerWaalsContact C-N 3.34Å; A77-L79 VanDerWaalsContact C-N 3.3Å; A77-L79 PolarHBondContact O-N 2.76Å; A77-I80 PolarHBondContact O-N 2.91Å; A77-E81 WeakPolarHBondContact O-CG 3.48Å; A77-E81 PolarHBondContact O-N 3.08Å; A77-A111 HydrophobicContact CB-CB 4.35Å; A77-A111 WeakPolarHBondContact CB-O 3.48Å; A77-F114 HydrophobicContact CB-CB 4.04Å; A77-R115 HydrophobicContact CB-CG 3.57Å
78D98.9Very high98.7Very high80 Ų8043.6 Ų43.643%0.42823%0.229SC..Hα-helixtrans-61.5-39177.8-64.1-18.3000111.5N74 K75 E81 A82 R115N74-D78 PolarHBondContact O-N 3.44Å; K75-D78 PolarHBondContact O-N 3.45Å; D78-E81 PolarHBondContact O-N 3.08Å; D78-A82 WeakPolarHBondContact O-CB 3.41Å; D78-A82 PolarHBondContact O-N 2.79Å; D78-R115 IonicContact OD1-CZ 3.86Å; D78-R115 IonicContact OD1-NE 2.9Å; D78-R115 IonicContact OD1-NH2 2.91Å; D78-R115 PolarHBondContact OD1-NH2 2.8Å
79L98.8Very high98.7Very high17 Ų1742.8 Ų42.89%0.08923%0.226CC..Hα-helixtrans-68.6-37176.3-70.4169.3000112.9K75 L76 A77 E81 A82 N83 L193 E196 A197K75-L79 HydrophobicContact CG-CD1 4.45Å; K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 3.32Å; L76-L79 PolarHBondContact O-N 3.18Å; A77-L79 VanDerWaalsContact C-N 3.3Å; A77-L79 PolarHBondContact O-N 2.76Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-A82 PolarHBondContact O-N 3.29Å; L79-N83 WeakPolarHBondContact O-CB 3.48Å; L79-N83 PolarHBondContact O-N 2.94Å; L79-N83 PolarHBondContact O-ND2 3.42Å; L79-L193 HydrophobicContact CB-CB 4.27Å; L79-L193 HydrophobicContact CB-CD1 4.27Å; L79-L193 HydrophobicContact CB-CD2 4.42Å; L79-L193 HydrophobicContact CD1-CB 4.43Å; L79-E196 HydrophobicContact CD1-CB 3.85Å; L79-E196 HydrophobicContact CD1-CG 3.86Å; L79-E196 VanDerWaalsContact CD2-CD 3.42Å; L79-E196 HydrophobicContact CD2-CG 4Å; L79-E196 WeakPolarHBondContact CD2-OE1 3.32Å; L79-A197 HydrophobicContact CD1-CB 3.89Å
80I98.8Very high98.7Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-63.4-43.6173.2-71.2167.7000110.1L76 A77 N83 M84 L87 I107 A111 F114 L193L76-I80 HydrophobicContact CG-CD1 4.33Å; L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 2.83Å; A77-I80 PolarHBondContact O-N 2.91Å; I80-N83 CarbonylContact O-C 3.46Å; I80-N83 PolarHBondContact O-N 2.68Å; I80-M84 PolarHBondContact O-N 2.83Å; I80-M84 VanDerWaalsContact O-N 3.11Å; I80-L87 HydrophobicContact CB-CD1 4.46Å; I80-L87 HydrophobicContact CG2-CD1 3.92Å; I80-I107 HydrophobicContact CG2-CG2 4.15Å; I80-A111 HydrophobicContact CB-CB 4.25Å; I80-A111 HydrophobicContact CG2-CB 3.91Å; I80-F114 HydrophobicContact CD1-CD2 3.78Å; I80-F114 HydrophobicContact CD1-CE2 3.69Å; I80-L193 HydrophobicContact CG1-CD1 4.01Å
81E98.6Very high98.7Very high74 Ų7442.3 Ų42.335%0.34623%0.225SC..Hα-helixtrans-64.3-41.4176.7-71177.2178.300111.7A77 D78 L79 N83 M84 A111 R115A77-E81 WeakPolarHBondContact O-CG 3.48Å; A77-E81 PolarHBondContact O-N 3.08Å; D78-E81 PolarHBondContact O-N 3.08Å; L79-E81 VanDerWaalsContact C-N 3.34Å; E81-N83 VanDerWaalsContact C-N 3.27Å; E81-N83 PolarHBondContact O-N 2.91Å; E81-M84 VanDerWaalsContact O-CB 3.25Å; E81-M84 WeakPolarHBondContact O-CB 3.26Å; E81-M84 PolarHBondContact O-N 2.63Å; E81-A111 HydrophobicContact CG-CB 3.79Å; E81-R115 VanDerWaalsContact CD-NH2 3.34Å; E81-R115 IonicContact OE1-CZ 3.78Å; E81-R115 IonicContact OE1-NE 3.21Å; E81-R115 IonicContact OE1-NH1 3.64Å; E81-R115 PolarHBondContact OE1-NH1 2.95Å; E81-R115 IonicContact OE1-NH2 3.58Å; E81-R115 PolarHBondContact OE1-NH2 3.04Å; E81-R115 IonicContact OE2-CZ 2.78Å; E81-R115 VanDerWaalsContact OE2-CZ 3.29Å; E81-R115 IonicContact OE2-NH1 3.58Å; E81-R115 PolarHBondContact OE2-NH1 3.41Å; E81-R115 IonicContact OE2-NH2 2.99Å; E81-R115 PolarHBondContact OE2-NH2 3.22Å
82A98.6Very high98.7Very high81 Ų8138.6 Ų38.667%0.66921%0.205SC*.Hα-helixtrans-64.8-29.4177.100000113.3D78 L79D78-A82 WeakPolarHBondContact O-CB 3.41Å; D78-A82 PolarHBondContact O-N 2.79Å; L79-A82 PolarHBondContact O-N 3.29Å
83N98.6Very high98.6Very high56 Ų5642 Ų4230%0.29922%0.219SC..THydrogen-bonded Turntrans-10420178.8-67.3-91.4000112.7L79 I80 E81 E85 D86 L87L79-N83 WeakPolarHBondContact O-CB 3.48Å; L79-N83 PolarHBondContact O-N 2.94Å; L79-N83 PolarHBondContact O-ND2 3.42Å; I80-N83 CarbonylContact O-C 3.46Å; I80-N83 PolarHBondContact O-N 2.68Å; E81-N83 VanDerWaalsContact C-N 3.27Å; E81-N83 PolarHBondContact O-N 2.91Å; N83-E85 VanDerWaalsContact C-N 3.34Å; N83-E85 PolarHBondContact O-N 2.91Å; N83-D86 PolarHBondContact O-N 2.9Å; N83-L87 HydrophobicContact CB-CD1 4.44Å; N83-L87 WeakPolarHBondContact O-CG 3.45Å; N83-L87 PolarHBondContact O-N 3.5Å
84M98.1Very high98.6Very high50 Ų5042 Ų4225%0.24622%0.219CC..Hα-helixtrans-57.6-41.9-170.8177.5176.9-7200113I80 E81 L87 V88 I107 P108I80-M84 PolarHBondContact O-N 2.83Å; I80-M84 VanDerWaalsContact O-N 3.11Å; E81-M84 VanDerWaalsContact O-CB 3.25Å; E81-M84 WeakPolarHBondContact O-CB 3.26Å; E81-M84 PolarHBondContact O-N 2.63Å; M84-L87 PolarHBondContact O-N 2.94Å; M84-V88 HydrophobicContact CG-CG2 4.06Å; M84-V88 WeakPolarHBondContact O-CB 3.12Å; M84-V88 WeakPolarHBondContact O-CG2 3.43Å; M84-V88 PolarHBondContact O-N 3.35Å; M84-I107 HydrophobicContact CB-CG2 4.34Å; M84-I107 HydrophobicContact CE-CG2 4.46Å; M84-I107 HydrophobicContact CG-CB 4.46Å; M84-I107 HydrophobicContact CG-CG2 3.86Å; M84-P108 HydrophobicContact CE-CG 4.02Å
85E98.3Very high98.6Very high85 Ų8539.6 Ų39.640%0.39721%0.206SC..Hα-helixtrans-62.4-49.6-176.2-174.257.3-142.800112.1N83 L87 V88 Q89 R103N83-E85 VanDerWaalsContact C-N 3.34Å; N83-E85 PolarHBondContact O-N 2.91Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 3.46Å; E85-V88 WeakPolarHBondContact O-CB 3.36Å; E85-V88 PolarHBondContact O-N 3.32Å; E85-V88 VanDerWaalsContact O-N 3.16Å; E85-Q89 WeakPolarHBondContact O-CG 3.47Å; E85-Q89 PolarHBondContact O-N 3.1Å; E85-Q89 PolarHBondContact OE1-NE2 3.38Å; E85-R103 IonicContact OE1-CZ 3.75Å; E85-R103 IonicContact OE1-NH2 3.57Å; E85-R103 PolarHBondContact OE1-NH2 2.92Å; E85-R103 IonicContact OE2-CZ 3.65Å; E85-R103 IonicContact OE2-NH1 3.67Å; E85-R103 PolarHBondContact OE2-NH1 3.02Å; E85-R103 IonicContact OE2-NH2 2.77Å; E85-R103 PolarHBondContact OE2-NH2 3Å
86D98.6Very high98.5Very high102 Ų10234.8 Ų34.855%0.54519%0.185SC..Hα-helixtrans-63.3-40.3-179.1-68.7-17.4000110.9N83 Q89 A90 M189N83-D86 PolarHBondContact O-N 2.9Å; D86-Q89 PolarHBondContact O-N 3.18Å; D86-A90 WeakPolarHBondContact O-CB 3.47Å; D86-A90 PolarHBondContact O-N 3.49Å; D86-M189 HydrophobicContact CB-CE 3.72Å
87L98.8Very high98.5Very high1 Ų134.8 Ų34.81%0.00519%0.185CC..Hα-helixtrans-64.4-40.6175.4-70.5170.7000112I80 N83 M84 E85 A90 E91 I107 L158 T186 M189I80-L87 HydrophobicContact CB-CD1 4.46Å; I80-L87 HydrophobicContact CG2-CD1 3.92Å; N83-L87 HydrophobicContact CB-CD1 4.44Å; N83-L87 WeakPolarHBondContact O-CG 3.45Å; N83-L87 PolarHBondContact O-N 3.5Å; M84-L87 PolarHBondContact O-N 2.94Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 3.46Å; L87-A90 PolarHBondContact O-N 3.16Å; L87-E91 VanDerWaalsContact O-CB 3.27Å; L87-E91 WeakPolarHBondContact O-CB 3.49Å; L87-E91 PolarHBondContact O-N 2.9Å; L87-I107 HydrophobicContact CB-CD1 3.87Å; L87-I107 HydrophobicContact CB-CG1 4.14Å; L87-I107 HydrophobicContact CB-CG2 4.12Å; L87-I107 HydrophobicContact CD1-CG2 4.25Å; L87-L158 HydrophobicContact CD1-CD2 4.29Å; L87-L158 HydrophobicContact CD2-CD2 4.18Å; L87-T186 HydrophobicContact CD2-CG2 4.29Å; L87-M189 HydrophobicContact CD2-CB 3.83Å; L87-M189 HydrophobicContact CD2-CE 3.94Å; L87-M189 HydrophobicContact CD2-SD 4.26Å; L87-M189 HydrophobicContact CG-CE 4.32Å
88V98.8Very high98.5Very high0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-62.1-46.9177.3162.40000111.1M84 E85 A90 E91 S92 V99 A102 R103 I107M84-V88 HydrophobicContact CG-CG2 4.06Å; M84-V88 WeakPolarHBondContact O-CB 3.12Å; M84-V88 WeakPolarHBondContact O-CG2 3.43Å; M84-V88 PolarHBondContact O-N 3.35Å; E85-V88 WeakPolarHBondContact O-CB 3.36Å; E85-V88 PolarHBondContact O-N 3.32Å; E85-V88 VanDerWaalsContact O-N 3.16Å; V88-A90 VanDerWaalsContact C-N 3.35Å; V88-E91 PolarHBondContact O-N 3.42Å; V88-S92 WeakPolarHBondContact O-CB 3.16Å; V88-S92 PolarHBondContact O-N 3.28Å; V88-V99 HydrophobicContact CG1-CG1 3.73Å; V88-A102 HydrophobicContact CG1-CB 4.12Å; V88-R103 HydrophobicContact CG1-CB 4.02Å; V88-R103 HydrophobicContact CG2-CB 3.98Å; V88-R103 HydrophobicContact CG2-CG 4.45Å; V88-I107 HydrophobicContact CB-CG1 4.47Å; V88-I107 HydrophobicContact CG2-CB 4.05Å; V88-I107 HydrophobicContact CG2-CG1 3.63Å
89Q98.6Very high98.5Very high85 Ų8532 Ų3240%0.39717%0.172SC..Hα-helixtrans-64-42.9179.6-64.1-58.4-3500111.1E85 D86 K93E85-Q89 WeakPolarHBondContact O-CG 3.47Å; E85-Q89 PolarHBondContact O-N 3.1Å; E85-Q89 PolarHBondContact OE1-NE2 3.38Å; D86-Q89 PolarHBondContact O-N 3.18Å; Q89-K93 VanDerWaalsContact O-CB 3.25Å; Q89-K93 WeakPolarHBondContact O-CB 3.37Å; Q89-K93 PolarHBondContact O-N 3.36Å
90A98.5Very high98.5Very high6 Ų634 Ų345%0.0519%0.185CC..Hα-helixtrans-64.9-46.6176.600000112.3D86 L87 V88 S92 K93 D94 V185 T186 M189D86-A90 WeakPolarHBondContact O-CB 3.47Å; D86-A90 PolarHBondContact O-N 3.49Å; L87-A90 PolarHBondContact O-N 3.16Å; V88-A90 VanDerWaalsContact C-N 3.35Å; A90-S92 VanDerWaalsContact C-N 3.35Å; A90-S92 PolarHBondContact O-N 2.82Å; A90-K93 PolarHBondContact O-N 3.32Å; A90-D94 WeakPolarHBondContact O-CB 3.41Å; A90-D94 PolarHBondContact O-N 3.36Å; A90-V185 HydrophobicContact CB-CG1 3.95Å; A90-T186 HydrophobicContact CB-CG2 3.68Å; A90-M189 HydrophobicContact CB-CE 4.4Å; A90-M189 HydrophobicContact CB-SD 3.49Å; A90-M189 WeakPolarHBondContact CB-SD 3.35Å
91E98.6Very high98.4Very high1 Ų135.2 Ų35.21%0.00519%0.19CC..Hα-helixtrans-61.7-43.1179.8-165.585.2171.700111.5L87 V88 Q95 K97 A102 D106 I107 P157 L158 T186L87-E91 VanDerWaalsContact O-CB 3.27Å; L87-E91 WeakPolarHBondContact O-CB 3.49Å; L87-E91 PolarHBondContact O-N 2.9Å; V88-E91 PolarHBondContact O-N 3.42Å; E91-Q95 WeakPolarHBondContact O-CB 3.43Å; E91-Q95 PolarHBondContact O-N 2.97Å; E91-Q95 VanDerWaalsContact O-N 3.11Å; E91-K97 HydrophobicContact CG-CD 4.13Å; E91-K97 IonicContact OE1-NZ 3.86Å; E91-A102 HydrophobicContact CB-CB 4.22Å; E91-A102 HydrophobicContact CG-CB 4.41Å; E91-D106 HydrophobicContact CG-CB 4.48Å; E91-I107 HydrophobicContact CB-CD1 4.15Å; E91-I107 HydrophobicContact CG-CD1 4.32Å; E91-P157 WeakPolarHBondContact OE1-CD 3.38Å; E91-L158 PolarHBondContact OE1-N 3.25Å; E91-L158 VanDerWaalsContact OE1-N 3.09Å; E91-T186 HydrophobicContact CB-CG2 3.91Å; E91-T186 WeakPolarHBondContact OE2-CB 3.4Å; E91-T186 WeakPolarHBondContact OE2-CG2 3.26Å; E91-T186 PolarHBondContact OE2-OG1 3.21Å
92S98.7Very high98.4Very high5 Ų531.7 Ų31.74%0.03517%0.173CC..Hα-helixtrans-63-46.5177.21770000111.5V88 A90 G96 K97 V99V88-S92 WeakPolarHBondContact O-CB 3.16Å; V88-S92 PolarHBondContact O-N 3.28Å; A90-S92 VanDerWaalsContact C-N 3.35Å; A90-S92 PolarHBondContact O-N 2.82Å; S92-G96 VanDerWaalsContact O-CA 3.32Å; S92-G96 WeakPolarHBondContact O-CA 3.47Å; S92-G96 PolarHBondContact O-N 3.1Å; S92-K97 WeakPolarHBondContact CA-O 3.34Å; S92-K97 WeakPolarHBondContact CB-O 3.38Å; S92-K97 PolarHBondContact OG-O 3.27Å; S92-V99 WeakPolarHBondContact OG-CG2 3.24Å; S92-V99 PolarHBondContact OG-N 3.26Å
93K98.3Very high98.4Very high85 Ų8531.6 Ų31.637%0.3716%0.155SC..Hα-helixtrans-69.5-42.9-177.9-174.8170.4-178.2178.90113.3D29 P30 Y36 Q89 A90D29-K93 HydrophobicContact CB-CG 4.31Å; D29-K93 VanDerWaalsContact OD2-CE 3.24Å; D29-K93 WeakPolarHBondContact OD2-CE 3.45Å; D29-K93 WeakPolarHBondContact OD2-CG 3.37Å; P30-K93 WeakPolarHBondContact CD-O 3.38Å; Y36-K93 HydrophobicContact CD1-CD 4.37Å; Y36-K93 HydrophobicContact CD1-CG 4.15Å; Y36-K93 HydrophobicContact CD2-CD 3.96Å; Y36-K93 VanDerWaalsContact CD2-CE 3.41Å; Y36-K93 HydrophobicContact CE1-CB 4.36Å; Y36-K93 HydrophobicContact CE1-CD 4.08Å; Y36-K93 HydrophobicContact CE1-CG 4.04Å; Y36-K93 HydrophobicContact CE2-CD 3.68Å; Y36-K93 HydrophobicContact CE2-CG 4.46Å; Y36-K93 HydrophobicContact CG-CD 4.32Å; Y36-K93 HydrophobicContact CG-CG 4.39Å; Q89-K93 VanDerWaalsContact O-CB 3.25Å; Q89-K93 WeakPolarHBondContact O-CB 3.37Å; Q89-K93 PolarHBondContact O-N 3.36Å; A90-K93 PolarHBondContact O-N 3.32Å
94D97.8Very high98.2Very high2 Ų233.3 Ų33.31%0.01117%0.168CC..Hα-helixtrans-74-35.4-175.9-152.628.7000111S27 Y36 A90 T183 S184 V185S27-D94 PolarHBondContact OG-OD1 3.2Å; Y36-D94 HydrophobicContact CD1-CB 4.32Å; Y36-D94 HydrophobicContact CE1-CB 4.16Å; A90-D94 WeakPolarHBondContact O-CB 3.41Å; A90-D94 PolarHBondContact O-N 3.36Å; D94-T183 WeakPolarHBondContact OD2-CA 3.47Å; D94-S184 PolarHBondContact OD2-N 3.36Å; D94-V185 HydrophobicContact CB-CB 4.42Å; D94-V185 HydrophobicContact CB-CG2 4.48Å; D94-V185 WeakPolarHBondContact OD2-CB 3.46Å; D94-V185 WeakPolarHBondContact OD2-CG2 3.46Å; D94-V185 PolarHBondContact OD2-N 3.25Å
95Q98.4Very high98.1Very high0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-95.2-30-178.9-164.6-77.8-38.400114.5E91 K97 W154 P157 T183 N282 E285 I330E91-Q95 WeakPolarHBondContact O-CB 3.43Å; E91-Q95 PolarHBondContact O-N 2.97Å; E91-Q95 VanDerWaalsContact O-N 3.11Å; Q95-K97 VanDerWaalsContact CD-CE 3.45Å; Q95-W154 WeakPolarHBondContact CG-O 3.47Å; Q95-P157 HydrophobicContact CB-CG 4.37Å; Q95-P157 HydrophobicContact CG-CG 4.39Å; Q95-T183 HydrophobicContact CB-CG2 3.98Å; Q95-T183 HydrophobicContact CG-CG2 4.13Å; Q95-N282 PolarHBondContact OE1-OD1 2.68Å; Q95-E285 PolarHBondContact NE2-OE2 3.16Å; Q95-I330 HydrophobicContact CB-CD1 4.5Å; Q95-I330 HydrophobicContact CG-CD1 4.19Å; Q95-I330 WeakPolarHBondContact O-CD1 3.39Å
96G98.1Very high97.9Very high0 Ų028.9 Ų28.90%015%0.15CC..  trans99-10-176.100000115.2S92 P319 G327 A328S92-G96 VanDerWaalsContact O-CA 3.32Å; S92-G96 WeakPolarHBondContact O-CA 3.47Å; S92-G96 PolarHBondContact O-N 3.1Å; G96-P319 WeakPolarHBondContact O-CG 3.2Å; G96-G327 CarbonylContact O-C 3.49Å; G96-G327 VanDerWaalsContact O-CA 3.25Å; G96-G327 WeakPolarHBondContact O-CA 3.13Å; G96-A328 CarbonylContact C-O 3.56Å; G96-A328 PolarHBondContact O-N 2.84Å
97K98.4Very high97.9Very high0 Ų024 Ų240%012%0.124CC..  trans-62.6157.9172.263.4-166.662.1163.20113E91 S92 Q95 F101 A102 D106 N155 N282 P319E91-K97 HydrophobicContact CG-CD 4.13Å; E91-K97 IonicContact OE1-NZ 3.86Å; S92-K97 WeakPolarHBondContact CA-O 3.34Å; S92-K97 WeakPolarHBondContact CB-O 3.38Å; S92-K97 PolarHBondContact OG-O 3.27Å; Q95-K97 VanDerWaalsContact CD-CE 3.45Å; K97-F101 HydrophobicContact CD-CD1 4.16Å; K97-A102 HydrophobicContact CD-CB 4.1Å; K97-A102 HydrophobicContact CG-CB 4.35Å; K97-D106 WeakPolarHBondContact CD-OD2 3.4Å; K97-D106 WeakPolarHBondContact CE-OD2 3.42Å; K97-D106 IonicContact NZ-OD2 3.12Å; K97-D106 PolarHBondContact NZ-OD2 3.02Å; K97-N155 PolarHBondContact NZ-O 3.27Å; K97-N282 WeakPolarHBondContact CB-OD1 3.14Å; K97-N282 VanDerWaalsContact CE-OD1 3.3Å; K97-N282 WeakPolarHBondContact CE-OD1 3.13Å; K97-P319 WeakPolarHBondContact O-CB 3.27Å
98T98.6Very high97.9Very high3 Ų326 Ų262%0.01814%0.137CC..  trans-63.7147.3175.266.70000112.3T100 F101 A102 P319 N324T98-T100 PolarHBondContact O-N 3.01Å; T98-F101 PolarHBondContact O-N 2.96Å; T98-F101 VanDerWaalsContact O-N 3.09Å; T98-F101 WeakPolarHBondContact OG1-CB 3.12Å; T98-F101 PolarHBondContact OG1-N 3.17Å; T98-F101 VanDerWaalsContact OG1-N 3.13Å; T98-A102 PolarHBondContact O-N 2.89Å; T98-P319 WeakPolarHBondContact CA-O 3.31Å; T98-N324 HydrophobicContact CG2-CB 4.46Å
99V98.4Very high97.8Very high20 Ų2028.1 Ų28.112%0.12115%0.145CC..Hα-helixtrans-55.6-38.3172.5170.20000110.4V88 S92 F101 A102 R103 P319V88-V99 HydrophobicContact CG1-CG1 3.73Å; S92-V99 WeakPolarHBondContact OG-CG2 3.24Å; S92-V99 PolarHBondContact OG-N 3.26Å; V99-F101 PolarHBondContact O-N 3.15Å; V99-A102 PolarHBondContact O-N 3.04Å; V99-R103 WeakPolarHBondContact O-CB 3.37Å; V99-R103 PolarHBondContact O-N 2.86Å; V99-P319 PolarHBondContact N-O 2.95Å
100T98Very high97.7Very high59 Ų5924.1 Ų24.136%0.36213%0.126SC..Hα-helixtrans-59.8-45.7176.5-55.20000111.9T98 R103 T104T98-T100 PolarHBondContact O-N 3.01Å; T100-R103 PolarHBondContact O-N 3.25Å; T100-T104 HydrophobicContact CG2-CG2 4.47Å; T100-T104 WeakPolarHBondContact O-CB 3.39Å; T100-T104 WeakPolarHBondContact O-CG2 3.22Å; T100-T104 PolarHBondContact O-N 2.72Å; T100-T104 PolarHBondContact O-OG1 3.16Å
101F97.5Very high97.7Very high24 Ų2423.8 Ų23.811%0.10512%0.124CC..Hα-helixtrans-67.5-46.1179.1-170.9-86.7000111.6K97 T98 V99 R103 T104 V105 L156 N282 I286K97-F101 HydrophobicContact CD-CD1 4.16Å; T98-F101 PolarHBondContact O-N 2.96Å; T98-F101 VanDerWaalsContact O-N 3.09Å; T98-F101 WeakPolarHBondContact OG1-CB 3.12Å; T98-F101 PolarHBondContact OG1-N 3.17Å; T98-F101 VanDerWaalsContact OG1-N 3.13Å; V99-F101 PolarHBondContact O-N 3.15Å; F101-R103 VanDerWaalsContact C-N 3.26Å; F101-R103 PolarHBondContact O-N 2.83Å; F101-T104 PolarHBondContact O-N 3.34Å; F101-V105 HydrophobicContact CD1-CB 4.4Å; F101-V105 HydrophobicContact CD2-CG2 4.18Å; F101-V105 HydrophobicContact CE1-CB 4.11Å; F101-V105 HydrophobicContact CE1-CG1 4.22Å; F101-V105 HydrophobicContact CE2-CB 4.36Å; F101-V105 HydrophobicContact CE2-CG2 3.98Å; F101-V105 HydrophobicContact CZ-CB 4.09Å; F101-V105 HydrophobicContact CZ-CG1 3.99Å; F101-V105 HydrophobicContact CZ-CG2 4.2Å; F101-V105 WeakPolarHBondContact O-CB 3.39Å; F101-V105 PolarHBondContact O-N 2.79Å; F101-L156 HydrophobicContact CE1-CD2 3.84Å; F101-L156 HydrophobicContact CZ-CD2 4.42Å; F101-N282 HydrophobicContact CE1-CB 4.03Å; F101-N282 HydrophobicContact CE2-CB 4.41Å; F101-N282 HydrophobicContact CZ-CB 3.95Å; F101-I286 HydrophobicContact CZ-CD1 4.13Å
102A98.2Very high97.7Very high0 Ų028.4 Ų28.40%014%0.141CC..Iπ-helixtrans-57.1-41.3176.500000112V88 E91 K97 T98 V99 D106 I107V88-A102 HydrophobicContact CG1-CB 4.12Å; E91-A102 HydrophobicContact CB-CB 4.22Å; E91-A102 HydrophobicContact CG-CB 4.41Å; K97-A102 HydrophobicContact CD-CB 4.1Å; K97-A102 HydrophobicContact CG-CB 4.35Å; T98-A102 PolarHBondContact O-N 2.89Å; V99-A102 PolarHBondContact O-N 3.04Å; A102-D106 PolarHBondContact O-N 3.01Å; A102-I107 PolarHBondContact O-N 3.44Å
103R98.2Very high97.7Very high79 Ų7928.1 Ų28.130%0.29814%0.14SC..Iπ-helixtrans-70.2-41.7179.9-175.7177.5-54.4-68.8-0.8114.5E85 V88 V99 T100 F101 P108E85-R103 IonicContact OE1-CZ 3.75Å; E85-R103 IonicContact OE1-NH2 3.57Å; E85-R103 PolarHBondContact OE1-NH2 2.92Å; E85-R103 IonicContact OE2-CZ 3.65Å; E85-R103 IonicContact OE2-NH1 3.67Å; E85-R103 PolarHBondContact OE2-NH1 3.02Å; E85-R103 IonicContact OE2-NH2 2.77Å; E85-R103 PolarHBondContact OE2-NH2 3Å; V88-R103 HydrophobicContact CG1-CB 4.02Å; V88-R103 HydrophobicContact CG2-CB 3.98Å; V88-R103 HydrophobicContact CG2-CG 4.45Å; V99-R103 WeakPolarHBondContact O-CB 3.37Å; V99-R103 PolarHBondContact O-N 2.86Å; T100-R103 PolarHBondContact O-N 3.25Å; F101-R103 VanDerWaalsContact C-N 3.26Å; F101-R103 PolarHBondContact O-N 2.83Å; R103-P108 VanDerWaalsContact O-CD 3.26Å; R103-P108 WeakPolarHBondContact O-CD 3.44Å; R103-P108 WeakPolarHBondContact O-CG 3.3Å
104T96.3Very high97.7Very high93 Ų9324.1 Ų24.157%0.57112%0.122SC*.Iπ-helixtrans-93-19.4-17156.60000112.8T100 F101T100-T104 HydrophobicContact CG2-CG2 4.47Å; T100-T104 WeakPolarHBondContact O-CB 3.39Å; T100-T104 WeakPolarHBondContact O-CG2 3.22Å; T100-T104 PolarHBondContact O-N 2.72Å; T100-T104 PolarHBondContact O-OG1 3.16Å; F101-T104 PolarHBondContact O-N 3.34Å
105V94.7Very high97.7Very high41 Ų4128.2 Ų28.225%0.24814%0.138CC..Iπ-helixtrans-121.2-66.1-176.3-174.30000111.6F101 R109F101-V105 HydrophobicContact CD1-CB 4.4Å; F101-V105 HydrophobicContact CD2-CG2 4.18Å; F101-V105 HydrophobicContact CE1-CB 4.11Å; F101-V105 HydrophobicContact CE1-CG1 4.22Å; F101-V105 HydrophobicContact CE2-CB 4.36Å; F101-V105 HydrophobicContact CE2-CG2 3.98Å; F101-V105 HydrophobicContact CZ-CB 4.09Å; F101-V105 HydrophobicContact CZ-CG1 3.99Å; F101-V105 HydrophobicContact CZ-CG2 4.2Å; F101-V105 WeakPolarHBondContact O-CB 3.39Å; F101-V105 PolarHBondContact O-N 2.79Å; V105-R109 VanDerWaalsContact O-CB 3.22Å; V105-R109 WeakPolarHBondContact O-CB 3.47Å; V105-R109 WeakPolarHBondContact O-CG 3.45Å; V105-R109 PolarHBondContact O-N 2.87Å; V105-R109 VanDerWaalsContact O-N 3.15Å
106D94.8Very high97.7Very high0 Ų029.1 Ų29.10%014%0.141CC..Iπ-helixtrans-69.1-57.4-164.2-81.7-22.9000115E91 K97 A102 R109 S110 L156 Y159E91-D106 HydrophobicContact CG-CB 4.48Å; K97-D106 WeakPolarHBondContact CD-OD2 3.4Å; K97-D106 WeakPolarHBondContact CE-OD2 3.42Å; K97-D106 IonicContact NZ-OD2 3.12Å; K97-D106 PolarHBondContact NZ-OD2 3.02Å; A102-D106 PolarHBondContact O-N 3.01Å; D106-R109 PolarHBondContact O-N 2.86Å; D106-S110 PolarHBondContact O-N 2.89Å; D106-S110 PolarHBondContact O-OG 3.37Å; D106-L156 WeakPolarHBondContact OD1-CD2 3.42Å; D106-Y159 WeakPolarHBondContact OD1-CD1 3.37Å
107I98.2Very high97.7Very high0 Ų029.1 Ų29.10%014%0.141CC..Hα-helixtrans-65.3-44.1-174.1-56.4-52000111.4I80 M84 L87 V88 E91 A102 R109 S110 A111 L158I80-I107 HydrophobicContact CG2-CG2 4.15Å; M84-I107 HydrophobicContact CB-CG2 4.34Å; M84-I107 HydrophobicContact CE-CG2 4.46Å; M84-I107 HydrophobicContact CG-CB 4.46Å; M84-I107 HydrophobicContact CG-CG2 3.86Å; L87-I107 HydrophobicContact CB-CD1 3.87Å; L87-I107 HydrophobicContact CB-CG1 4.14Å; L87-I107 HydrophobicContact CB-CG2 4.12Å; L87-I107 HydrophobicContact CD1-CG2 4.25Å; V88-I107 HydrophobicContact CB-CG1 4.47Å; V88-I107 HydrophobicContact CG2-CB 4.05Å; V88-I107 HydrophobicContact CG2-CG1 3.63Å; E91-I107 HydrophobicContact CB-CD1 4.15Å; E91-I107 HydrophobicContact CG-CD1 4.32Å; A102-I107 PolarHBondContact O-N 3.44Å; I107-R109 VanDerWaalsContact C-N 3.3Å; I107-R109 PolarHBondContact O-N 2.92Å; I107-S110 WeakPolarHBondContact O-CB 3.34Å; I107-S110 PolarHBondContact O-N 2.82Å; I107-S110 VanDerWaalsContact O-N 3.09Å; I107-A111 PolarHBondContact O-N 2.68Å; I107-L158 HydrophobicContact CD1-CD2 3.87Å
108P97.9Very high97.6Very high44 Ų4429.1 Ų29.129%0.28614%0.142SC..Hα-helixtrans-59.1-39.4173-24.334000113.2M84 R103 S110 A111 Y112M84-P108 HydrophobicContact CE-CG 4.02Å; R103-P108 VanDerWaalsContact O-CD 3.26Å; R103-P108 WeakPolarHBondContact O-CD 3.44Å; R103-P108 WeakPolarHBondContact O-CG 3.3Å; P108-S110 VanDerWaalsContact C-N 3.28Å; P108-S110 PolarHBondContact O-N 2.97Å; P108-A111 PolarHBondContact O-N 3.22Å; P108-Y112 WeakPolarHBondContact O-CB 3.2Å; P108-Y112 PolarHBondContact O-N 3.01Å
109R96.6Very high97.5Very high44 Ų4432 Ų3217%0.16616%0.162CC..Hα-helixtrans-66.1-32176.6-76.3-60.7-51.5-167.57.9112.5V105 D106 I107 Y112 N113 Y159 W163 R451V105-R109 VanDerWaalsContact O-CB 3.22Å; V105-R109 WeakPolarHBondContact O-CB 3.47Å; V105-R109 WeakPolarHBondContact O-CG 3.45Å; V105-R109 PolarHBondContact O-N 2.87Å; V105-R109 VanDerWaalsContact O-N 3.15Å; D106-R109 PolarHBondContact O-N 2.86Å; I107-R109 VanDerWaalsContact C-N 3.3Å; I107-R109 PolarHBondContact O-N 2.92Å; R109-Y112 VanDerWaalsContact CZ-CD1 3.49Å; R109-Y112 PolarHBondContact O-N 3.25Å; R109-N113 PolarHBondContact O-N 3.03Å; R109-N113 PolarHBondContact O-ND2 3.23Å; R109-N113 PolarHBondContact O-OD1 3.36Å; R109-Y159 HydrophobicContact CB-CD1 4.25Å; R109-Y159 HydrophobicContact CB-CD2 3.45Å; R109-Y159 VanDerWaalsContact CB-CD2 3.45Å; R109-Y159 HydrophobicContact CB-CE2 3.73Å; R109-Y159 HydrophobicContact CB-CG 3.86Å; R109-Y159 HydrophobicContact CG-CE2 4.44Å; R109-W163 VanDerWaalsContact NH2-CZ3 3.31Å; R109-R451 VanDerWaalsContact CZ-NH2 3.29Å
110S97.9Very high97.4Very high0 Ų031.9 Ų31.90%016%0.162CC..Hα-helixtrans-63.6-46.9176.9-55.20000111.9D106 I107 P108 Y159 T162D106-S110 PolarHBondContact O-N 2.89Å; D106-S110 PolarHBondContact O-OG 3.37Å; I107-S110 WeakPolarHBondContact O-CB 3.34Å; I107-S110 PolarHBondContact O-N 2.82Å; I107-S110 VanDerWaalsContact O-N 3.09Å; P108-S110 VanDerWaalsContact C-N 3.28Å; P108-S110 PolarHBondContact O-N 2.97Å; S110-Y159 VanDerWaalsContact OG-CA 3.22Å; S110-Y159 WeakPolarHBondContact OG-CA 3.46Å; S110-Y159 PolarHBondContact OG-N 2.89Å; S110-T162 WeakPolarHBondContact CA-OG1 3.35Å
111A98.5Very high97.2Very high0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-64.8-43.4173.700000111.9A77 I80 E81 I107 P108 N113 F114 R115A77-A111 HydrophobicContact CB-CB 4.35Å; A77-A111 WeakPolarHBondContact CB-O 3.48Å; I80-A111 HydrophobicContact CB-CB 4.25Å; I80-A111 HydrophobicContact CG2-CB 3.91Å; E81-A111 HydrophobicContact CG-CB 3.79Å; I107-A111 PolarHBondContact O-N 2.68Å; P108-A111 PolarHBondContact O-N 3.22Å; A111-N113 VanDerWaalsContact C-N 3.29Å; A111-N113 PolarHBondContact O-N 3.24Å; A111-F114 PolarHBondContact O-N 2.81Å; A111-F114 VanDerWaalsContact O-N 3.16Å; A111-R115 PolarHBondContact O-N 2.96Å; A111-R115 VanDerWaalsContact O-N 3.14Å
112Y98Very high97Very high97 Ų9731.8 Ų31.838%0.3816%0.161SC..Hα-helixtrans-61.3-34.8-179.4-179.4-113.4000113.3P108 R109 F114 R115 F116 L453P108-Y112 WeakPolarHBondContact O-CB 3.2Å; P108-Y112 PolarHBondContact O-N 3.01Å; R109-Y112 VanDerWaalsContact CZ-CD1 3.49Å; R109-Y112 PolarHBondContact O-N 3.25Å; Y112-F114 VanDerWaalsContact C-N 3.33Å; Y112-F114 PolarHBondContact O-N 2.65Å; Y112-R115 PolarHBondContact O-N 3.43Å; Y112-F116 WeakPolarHBondContact O-CB 3.15Å; Y112-F116 PolarHBondContact O-N 3.47Å; Y112-L453 HydrophobicContact CD1-CD1 3.61Å; Y112-L453 HydrophobicContact CE1-CD1 3.28Å; Y112-L453 HydrophobicContact CE1-CG 3.98Å
113N98.2Very high96.7Very high0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-57.7-46175.5-68.5-20.3000111.4R109 A111 F117 Y159 T162 W163 A166R109-N113 PolarHBondContact O-N 3.03Å; R109-N113 PolarHBondContact O-ND2 3.23Å; R109-N113 PolarHBondContact O-OD1 3.36Å; A111-N113 VanDerWaalsContact C-N 3.29Å; A111-N113 PolarHBondContact O-N 3.24Å; N113-F117 VanDerWaalsContact O-CD2 3.26Å; N113-F117 WeakPolarHBondContact O-CD2 3.2Å; N113-F117 PolarHBondContact O-N 3.47Å; N113-F117 VanDerWaalsContact O-N 3.13Å; N113-Y159 PolarHBondContact ND2-O 2.94Å; N113-T162 PolarHBondContact ND2-OG1 2.81Å; N113-T162 VanDerWaalsContact ND2-OG1 3.09Å; N113-W163 WeakPolarHBondContact ND2-CA 3.39Å; N113-W163 PolarHBondContact ND2-N 3.19Å; N113-A166 HydrophobicContact CB-CB 4.34Å
114F98.6Very high96.1Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-65.4-46.1177-73.1-65.5000112.2L73 L76 A77 I80 A111 Y112 F116 F117 A118 T162 I165 A166 I169 M190L73-F114 HydrophobicContact CB-CB 4.43Å; L73-F114 HydrophobicContact CB-CD1 4.44Å; L73-F114 HydrophobicContact CD2-CD1 4.19Å; L73-F114 HydrophobicContact CG-CD1 3.98Å; L76-F114 HydrophobicContact CD2-CD1 4.13Å; L76-F114 HydrophobicContact CD2-CD2 4.2Å; L76-F114 HydrophobicContact CD2-CE1 3.64Å; L76-F114 HydrophobicContact CD2-CE2 3.69Å; L76-F114 HydrophobicContact CD2-CG 4.4Å; L76-F114 HydrophobicContact CD2-CZ 3.39Å; L76-F114 HydrophobicContact CG-CD2 4.26Å; L76-F114 HydrophobicContact CG-CE2 4.06Å; L76-F114 HydrophobicContact CG-CZ 4.26Å; A77-F114 HydrophobicContact CB-CB 4.04Å; I80-F114 HydrophobicContact CD1-CD2 3.78Å; I80-F114 HydrophobicContact CD1-CE2 3.69Å; A111-F114 PolarHBondContact O-N 2.81Å; A111-F114 VanDerWaalsContact O-N 3.16Å; Y112-F114 VanDerWaalsContact C-N 3.33Å; Y112-F114 PolarHBondContact O-N 2.65Å; F114-F116 VanDerWaalsContact C-N 3.33Å; F114-F116 PolarHBondContact O-N 3.11Å; F114-F117 PolarHBondContact O-N 2.9Å; F114-A118 VanDerWaalsContact O-CB 3.29Å; F114-A118 WeakPolarHBondContact O-CB 3.2Å; F114-A118 PolarHBondContact O-N 3.41Å; F114-T162 HydrophobicContact CD2-CG2 4.3Å; F114-T162 HydrophobicContact CE2-CG2 3.41Å; F114-T162 VanDerWaalsContact CE2-CG2 3.41Å; F114-T162 HydrophobicContact CZ-CG2 3.92Å; F114-I165 HydrophobicContact CE1-CG2 4.02Å; F114-I165 HydrophobicContact CZ-CB 4.47Å; F114-I165 HydrophobicContact CZ-CG2 4.13Å; F114-A166 HydrophobicContact CD1-CB 3.5Å; F114-A166 VanDerWaalsContact CD1-CB 3.5Å; F114-A166 HydrophobicContact CE1-CB 3.77Å; F114-A166 HydrophobicContact CG-CB 4.14Å; F114-I169 HydrophobicContact CE1-CD1 4.27Å; F114-M190 HydrophobicContact CE2-SD 4.49Å; F114-M190 HydrophobicContact CZ-SD 4.46Å
115R98.2Very high95.8Very high89 Ų8940.2 Ų40.234%0.33621%0.205SC..Hα-helixtrans-57.7-46.2176.8-72.5-167.7168164.50.6112A77 D78 E81 A111 Y112 F117 A118 S119A77-R115 HydrophobicContact CB-CG 3.57Å; D78-R115 IonicContact OD1-CZ 3.86Å; D78-R115 IonicContact OD1-NE 2.9Å; D78-R115 IonicContact OD1-NH2 2.91Å; D78-R115 PolarHBondContact OD1-NH2 2.8Å; E81-R115 VanDerWaalsContact CD-NH2 3.34Å; E81-R115 IonicContact OE1-CZ 3.78Å; E81-R115 IonicContact OE1-NE 3.21Å; E81-R115 IonicContact OE1-NH1 3.64Å; E81-R115 PolarHBondContact OE1-NH1 2.95Å; E81-R115 IonicContact OE1-NH2 3.58Å; E81-R115 PolarHBondContact OE1-NH2 3.04Å; E81-R115 IonicContact OE2-CZ 2.78Å; E81-R115 VanDerWaalsContact OE2-CZ 3.29Å; E81-R115 IonicContact OE2-NH1 3.58Å; E81-R115 PolarHBondContact OE2-NH1 3.41Å; E81-R115 IonicContact OE2-NH2 2.99Å; E81-R115 PolarHBondContact OE2-NH2 3.22Å; A111-R115 PolarHBondContact O-N 2.96Å; A111-R115 VanDerWaalsContact O-N 3.14Å; Y112-R115 PolarHBondContact O-N 3.43Å; R115-F117 PolarHBondContact O-N 3.39Å; R115-A118 PolarHBondContact O-N 3.05Å; R115-S119 PolarHBondContact O-N 3.36Å; R115-S119 VanDerWaalsContact O-N 3.13Å; R115-S119 PolarHBondContact O-OG 2.87Å
116F98.1Very high95.6Very high18 Ų1841.9 Ų41.98%0.07922%0.215CC..Hα-helixtrans-59.1-49.7179.2175.8-93.3000111.5Y112 F114 S119 S120 L453Y112-F116 WeakPolarHBondContact O-CB 3.15Å; Y112-F116 PolarHBondContact O-N 3.47Å; F114-F116 VanDerWaalsContact C-N 3.33Å; F114-F116 PolarHBondContact O-N 3.11Å; F116-S119 PolarHBondContact O-N 2.72Å; F116-S120 WeakPolarHBondContact CE1-OG 3.4Å; F116-S120 WeakPolarHBondContact O-CB 3.35Å; F116-S120 PolarHBondContact O-N 2.86Å; F116-S120 PolarHBondContact O-OG 3.29Å; F116-L453 HydrophobicContact CB-CD1 3.4Å; F116-L453 HydrophobicContact CD1-CB 3.75Å; F116-L453 HydrophobicContact CD1-CD1 3.75Å; F116-L453 HydrophobicContact CD1-CG 4.23Å; F116-L453 HydrophobicContact CD2-CB 3.52Å; F116-L453 HydrophobicContact CD2-CD1 3.92Å; F116-L453 HydrophobicContact CD2-CG 4.36Å; F116-L453 HydrophobicContact CE1-CB 3.72Å; F116-L453 HydrophobicContact CE2-CB 3.47Å; F116-L453 VanDerWaalsContact CE2-CB 3.47Å; F116-L453 HydrophobicContact CG-CB 3.66Å; F116-L453 HydrophobicContact CG-CD1 3.38Å; F116-L453 HydrophobicContact CG-CG 4.12Å; F116-L453 VanDerWaalsContact CZ-C 3.47Å; F116-L453 HydrophobicContact CZ-CB 3.58Å; F116-L453 WeakPolarHBondContact CZ-O 3.43Å
117F98Very high95.6Very high0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-73.5-25.4-178.5-75.5-66.8000113.5L73 N113 F114 R115 S120 V121 A166 P167 A170 Y474L73-F117 HydrophobicContact CD2-CB 4.09Å; N113-F117 VanDerWaalsContact O-CD2 3.26Å; N113-F117 WeakPolarHBondContact O-CD2 3.2Å; N113-F117 PolarHBondContact O-N 3.47Å; N113-F117 VanDerWaalsContact O-N 3.13Å; F114-F117 PolarHBondContact O-N 2.9Å; R115-F117 PolarHBondContact O-N 3.39Å; F117-S120 WeakPolarHBondContact CA-OG 3.47Å; F117-V121 WeakPolarHBondContact O-CB 3.24Å; F117-V121 WeakPolarHBondContact O-CG1 2.86Å; F117-V121 PolarHBondContact O-N 2.92Å; F117-A166 HydrophobicContact CB-CB 4.24Å; F117-A166 HydrophobicContact CD2-CB 3.74Å; F117-A166 HydrophobicContact CG-CB 4.36Å; F117-P167 HydrophobicContact CD1-CB 3.83Å; F117-P167 HydrophobicContact CD2-CB 4.1Å; F117-P167 HydrophobicContact CD2-CG 4.24Å; F117-P167 HydrophobicContact CE1-CB 3.65Å; F117-P167 HydrophobicContact CE1-CG 4.44Å; F117-P167 HydrophobicContact CE2-CB 3.92Å; F117-P167 HydrophobicContact CE2-CG 3.87Å; F117-P167 HydrophobicContact CG-CB 4.08Å; F117-P167 HydrophobicContact CZ-CB 3.69Å; F117-P167 HydrophobicContact CZ-CG 3.98Å; F117-A170 HydrophobicContact CB-CB 3.99Å; F117-Y474 AromaticContact CD1-CE1 3.92Å; F117-Y474 HydrophobicContact CD1-CE1 3.92Å; F117-Y474 AromaticContact CD1-CZ 3.78Å; F117-Y474 HydrophobicContact CE1-CE1 4.24Å; F117-Y474 HydrophobicContact CE1-CE2 4.47Å
118A97.9Very high95.6Very high1 Ų152.1 Ų52.11%0.00828%0.276CS..Hα-helixtrans-63.2-42.2170.300000112.3G70 L73 N74 F114 R115G70-A118 WeakPolarHBondContact O-CB 3.48Å; L73-A118 HydrophobicContact CB-CB 3.75Å; N74-A118 VanDerWaalsContact OD1-CB 3.31Å; N74-A118 WeakPolarHBondContact OD1-CB 3.27Å; F114-A118 VanDerWaalsContact O-CB 3.29Å; F114-A118 WeakPolarHBondContact O-CB 3.2Å; F114-A118 PolarHBondContact O-N 3.41Å; R115-A118 PolarHBondContact O-N 3.05Å
119S95.9Very high95.5Very high63 Ų6353.1 Ų53.144%0.44128%0.284SS..Hα-helixtrans-80.4-46.6178.1-55.20000112.5R115 F116 V121 L122 H123R115-S119 PolarHBondContact O-N 3.36Å; R115-S119 VanDerWaalsContact O-N 3.13Å; R115-S119 PolarHBondContact O-OG 2.87Å; F116-S119 PolarHBondContact O-N 2.72Å; S119-V121 VanDerWaalsContact C-N 3.27Å; S119-V121 PolarHBondContact O-N 3.26Å; S119-L122 WeakPolarHBondContact O-CB 3.34Å; S119-L122 PolarHBondContact O-N 3.34Å; S119-H123 PolarHBondContact O-CD2 2.92Å; S119-H123 VanDerWaalsContact O-CD2 3.3Å
120S95.2Very high95.6Very high18 Ų1856.8 Ų56.813%0.12630%0.303CS..Hα-helixtrans-66.9-26.3-172.649.50000113.4F116 F117 L122 H123 H124 Y474F116-S120 WeakPolarHBondContact CE1-OG 3.4Å; F116-S120 WeakPolarHBondContact O-CB 3.35Å; F116-S120 PolarHBondContact O-N 2.86Å; F116-S120 PolarHBondContact O-OG 3.29Å; F117-S120 WeakPolarHBondContact CA-OG 3.47Å; S120-L122 PolarHBondContact O-N 2.75Å; S120-H123 PolarHBondContact O-N 3.44Å; S120-H124 PolarHBondContact O-CD2 3.43Å; S120-H124 PolarHBondContact O-NE2 2.93Å; S120-Y474 VanDerWaalsContact CB-OH 3.27Å; S120-Y474 WeakPolarHBondContact CB-OH 3.48Å; S120-Y474 PolarHBondContact OG-OH 3.06Å
121V93.6Very high95.5Very high14 Ų1460.3 Ų60.39%0.08532%0.321CS..G310 helixtrans-67.4-23.9177.973.50000112.9P66 F117 S119 H123 A170 Y474P66-V121 HydrophobicContact CB-CG1 4.24Å; P66-V121 HydrophobicContact CB-CG2 4.25Å; F117-V121 WeakPolarHBondContact O-CB 3.24Å; F117-V121 WeakPolarHBondContact O-CG1 2.86Å; F117-V121 PolarHBondContact O-N 2.92Å; S119-V121 VanDerWaalsContact C-N 3.27Å; S119-V121 PolarHBondContact O-N 3.26Å; V121-H123 PolarHBondContact O-N 3.44Å; V121-A170 HydrophobicContact CB-CB 4.36Å; V121-A170 WeakPolarHBondContact CG2-O 3.33Å; V121-Y474 WeakPolarHBondContact CA-OH 3.25Å; V121-Y474 PolarHBondContact N-OH 3.22Å
122L95.1Very high95.4Very high67 Ų6766 Ų6635%0.35135%0.351SS..G310 helixtrans-73.1-17.9-179-54179.8000113.2P66 Q67 S119 S120P66-L122 HydrophobicContact CB-CD2 4.03Å; Q67-L122 HydrophobicContact CB-CD2 4.31Å; S119-L122 WeakPolarHBondContact O-CB 3.34Å; S119-L122 PolarHBondContact O-N 3.34Å; S120-L122 PolarHBondContact O-N 2.75Å
123H91.3Very high95.3Very high144 Ų14468.6 Ų68.667%0.66737%0.366SS*.G310 helixtrans-114.615.3-168.2-58.2-58.2000113.5S119 S120 V121 T125S119-H123 PolarHBondContact O-CD2 2.92Å; S119-H123 VanDerWaalsContact O-CD2 3.3Å; S120-H123 PolarHBondContact O-N 3.44Å; V121-H123 PolarHBondContact O-N 3.44Å; H123-T125 PolarHBondContact O-N 2.89Å
124H85.4Confident95.2Very high79 Ų7973.5 Ų73.537%0.36639%0.391SS..  trans-73.5127.3175-83.6-74000111.9S120 Y474S120-H124 PolarHBondContact O-CD2 3.43Å; S120-H124 PolarHBondContact O-NE2 2.93Å; H124-Y474 AromaticContact CD2-CD2 3.88Å; H124-Y474 AromaticContact CD2-CE2 3.68Å; H124-Y474 AromaticContact CD2-CZ 3.94Å; H124-Y474 AromaticContact CE1-CD2 3.02Å; H124-Y474 WeakPolarHBondContact CE1-CD2 3.46Å; H124-Y474 AromaticContact CE1-CE2 3.28Å; H124-Y474 WeakPolarHBondContact CE1-CE2 3.41Å; H124-Y474 AromaticContact CE1-CG 3.97Å; H124-Y474 AromaticContact ND1-CD2 3.87Å; H124-Y474 AromaticContact NE2-CD2 3.03Å; H124-Y474 WeakPolarHBondContact NE2-CD2 3.48Å; H124-Y474 AromaticContact NE2-CE2 2.75Å; H124-Y474 WeakPolarHBondContact NE2-CE2 3.38Å; H124-Y474 AromaticContact NE2-CG 3.98Å; H124-Y474 AromaticContact NE2-CZ 3.42Å
125T89.9Confident95Very high125 Ų12574.4 Ų74.477%0.76740%0.399SS*.  trans-97.1159.817157.20000110.7H123H123-T125 PolarHBondContact O-N 2.89Å
126T91.1Very high95Very high76 Ų7670.9 Ų70.947%0.46639%0.389SS..  trans-127.3158.1174.149.10000109.1T140T126-T140 WeakPolarHBondContact CB-O 3.14Å; T126-T140 WeakPolarHBondContact CG2-O 3.28Å; T126-T140 PolarHBondContact OG1-O 3.28Å
127D95.1Very high95Very high125 Ų12572.8 Ų72.867%0.66840%0.399SS*.  trans-81.6143.9-179.2-60.7-46.2000110.9Y139 T140D127-Y139 CarbonylContact O-C 3.53Å; D127-Y139 VanDerWaalsContact O-CA 3.3Å; D127-Y139 WeakPolarHBondContact O-CA 3.22Å; D127-T140 HydrophobicContact CB-CG2 4.47Å; D127-T140 PolarHBondContact N-OG1 3.08Å; D127-T140 VanDerWaalsContact N-OG1 3.09Å; D127-T140 PolarHBondContact O-N 3.01Å
128C96.8Very high95Very high90 Ų9074.3 Ų74.361%0.60841%0.408SS*.EExtended strand (participates in β ladder)trans-142.1140175.7-176.40000110.1N138C128-N138 CarbonylContact C-O 3.41Å; C128-N138 WeakPolarHBondContact CA-O 3.38Å
129S97.2Very high95Very high65 Ų6577.9 Ų77.946%0.45542%0.421SS..EExtended strand (participates in β ladder)trans-145.1149.9175.263.80000111.6N138S129-N138 PolarHBondContact N-O 3.28Å; S129-N138 PolarHBondContact O-N 3.18Å
130Q96.9Very high95.1Very high122 Ų12275.9 Ų75.957%0.5741%0.407SS*.EExtended strand (participates in β ladder)trans-117132.8178.9-170173.2-17.600110.1D132Q130-D132 VanDerWaalsContact CD-OD1 3.3Å; Q130-D132 WeakPolarHBondContact CG-OD1 3.36Å; Q130-D132 PolarHBondContact NE2-OD1 3.3Å
131M97Very high95.1Very high74 Ų7477.1 Ų77.137%0.36541%0.413SS..EExtended strand (participates in β ladder)trans-115.979.4178.7-68.4177.867.700109.5H133 M134 G135 C136M131-H133 VanDerWaalsContact C-N 3.3Å; M131-H133 PolarHBondContact O-N 3.04Å; M131-M134 HydrophobicContact CB-CB 4.37Å; M131-M134 HydrophobicContact CE-CG 4.08Å; M131-M134 PolarHBondContact O-N 3.07Å; M131-G135 PolarHBondContact O-N 3.33Å; M131-G135 VanDerWaalsContact O-N 3.11Å; M131-C136 HydrophobicContact CB-CB 4.27Å; M131-C136 PolarHBondContact N-O 3.02Å; M131-C136 PolarHBondContact O-N 3.37Å
132D95.2Very high95.2Very high119 Ų11980.7 Ų80.764%0.63643%0.425SS*.G310 helixtrans-55.6-42.2-173.4-65.7-31.4000113.2Q130 M134 G135Q130-D132 VanDerWaalsContact CD-OD1 3.3Å; Q130-D132 WeakPolarHBondContact CG-OD1 3.36Å; Q130-D132 PolarHBondContact NE2-OD1 3.3Å; D132-M134 PolarHBondContact O-N 3.23Å; D132-G135 PolarHBondContact O-N 2.88Å
133H96.3Very high95.2Very high152 Ų15279.2 Ų79.270%0.70442%0.42SS*.G310 helixtrans-60.6-17.5178.566.1-76.4000114M131M131-H133 VanDerWaalsContact C-N 3.3Å; M131-H133 PolarHBondContact O-N 3.04Å
134M95.6Very high95.5Very high103 Ų10373.7 Ų73.751%0.50740%0.397SS..G310 helixtrans-111.8-5.3177.2-66-65.2-76.100113.3M131 D132 C136M131-M134 HydrophobicContact CB-CB 4.37Å; M131-M134 HydrophobicContact CE-CG 4.08Å; M131-M134 PolarHBondContact O-N 3.07Å; D132-M134 PolarHBondContact O-N 3.23Å; M134-C136 HydrophobicContact CB-CB 4.39Å
135G96.3Very high96.2Very high18 Ų1871.5 Ų71.519%0.18639%0.389CS..THydrogen-bonded Turntrans60.641.3-171.100000112.6M131 D132 K486 H487M131-G135 PolarHBondContact O-N 3.33Å; M131-G135 VanDerWaalsContact O-N 3.11Å; D132-G135 PolarHBondContact O-N 2.88Å; G135-K486 CarbonylContact O-C 3.55Å; G135-K486 WeakPolarHBondContact O-CA 3.36Å; G135-H487 PolarHBondContact O-N 3.1Å; G135-H487 PolarHBondContact O-ND1 2.75Å
136C98Very high96.6Very high16 Ų1665.9 Ų65.911%0.10836%0.356CS..EExtended strand (participates in β ladder)trans-121.9136.5-175.2-70.80000112.7M131 M134 T484 I485M131-C136 HydrophobicContact CB-CB 4.27Å; M131-C136 PolarHBondContact N-O 3.02Å; M131-C136 PolarHBondContact O-N 3.37Å; M134-C136 HydrophobicContact CB-CB 4.39Å; C136-T484 HydrophobicContact CB-CG2 4.19Å; C136-I485 WeakPolarHBondContact CA-O 3.24Å
137L97.7Very high96.9Very high58 Ų5862.6 Ų62.630%0.30434%0.336SS..EExtended strand (participates in β ladder)trans-105.5128.2164.8178.366.9000108.9T484 I485L137-T484 CarbonylContact O-C 3.56Å; L137-T484 WeakPolarHBondContact O-CA 3.36Å; L137-I485 PolarHBondContact N-O 3.42Å; L137-I485 PolarHBondContact O-N 2.87Å
138N97.8Very high97.1Very high32 Ų3256.6 Ų56.617%0.17130%0.304CS..EExtended strand (participates in β ladder)trans-117.5132.9176.5-52.5-77.5000109.7C128 S129 I483 T484C128-N138 CarbonylContact C-O 3.41Å; C128-N138 WeakPolarHBondContact CA-O 3.38Å; S129-N138 PolarHBondContact N-O 3.28Å; S129-N138 PolarHBondContact O-N 3.18Å; N138-I483 WeakPolarHBondContact CA-O 3.46Å; N138-T484 WeakPolarHBondContact OD1-CB 3.47Å; N138-T484 WeakPolarHBondContact OD1-CG2 3.14Å; N138-T484 PolarHBondContact OD1-OG1 3.02Å
139Y97.4Very high97.2Very high75 Ų7552.3 Ų52.329%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-145.1157.7173.364.2-82.3000111.4D127 V141 I483 I485D127-Y139 CarbonylContact O-C 3.53Å; D127-Y139 VanDerWaalsContact O-CA 3.3Å; D127-Y139 WeakPolarHBondContact O-CA 3.22Å; Y139-V141 HydrophobicContact CD2-CG1 3.94Å; Y139-V141 HydrophobicContact CE2-CG1 3.77Å; Y139-I483 HydrophobicContact CD1-CB 4.34Å; Y139-I483 HydrophobicContact CD2-CB 4.46Å; Y139-I483 HydrophobicContact CE1-CB 3.88Å; Y139-I483 HydrophobicContact CE1-CG2 3.69Å; Y139-I483 HydrophobicContact CE2-CB 4.03Å; Y139-I483 HydrophobicContact CE2-CD1 3.68Å; Y139-I483 HydrophobicContact CE2-CG1 4.36Å; Y139-I483 HydrophobicContact CE2-CG2 4.41Å; Y139-I483 PolarHBondContact N-O 3.49Å; Y139-I483 PolarHBondContact O-N 2.71Å; Y139-I483 WeakPolarHBondContact OH-CG2 3.33Å; Y139-I485 HydrophobicContact CE1-CD1 3.82Å; Y139-I485 HydrophobicContact CE1-CG1 4.2Å
140T97.6Very high97.3Very high22 Ų2249.2 Ų49.214%0.13525%0.253CS..EExtended strand (participates in β ladder)trans-103.1151.2174.360.60000111.7T126 D127 V480 K481T126-T140 WeakPolarHBondContact CB-O 3.14Å; T126-T140 WeakPolarHBondContact CG2-O 3.28Å; T126-T140 PolarHBondContact OG1-O 3.28Å; D127-T140 HydrophobicContact CB-CG2 4.47Å; D127-T140 PolarHBondContact N-OG1 3.08Å; D127-T140 VanDerWaalsContact N-OG1 3.09Å; D127-T140 PolarHBondContact O-N 3.01Å; T140-V480 HydrophobicContact CG2-CG1 3.97Å; T140-K481 CarbonylContact C-O 3.53Å; T140-K481 VanDerWaalsContact CA-O 3.29Å; T140-K481 WeakPolarHBondContact CA-O 3.38Å
141V95.7Very high97.4Very high43 Ų4344.1 Ų44.126%0.26123%0.23SC..EExtended strand (participates in β ladder)trans-130.2148.4167.4-60.40000109.3Y139 K481 I483Y139-V141 HydrophobicContact CD2-CG1 3.94Å; Y139-V141 HydrophobicContact CE2-CG1 3.77Å; V141-K481 HydrophobicContact CG2-CB 3.8Å; V141-K481 HydrophobicContact CG2-CD 4.15Å; V141-K481 HydrophobicContact CG2-CG 4.32Å; V141-K481 PolarHBondContact N-O 3.36Å; V141-K481 PolarHBondContact O-N 3.36Å; V141-I483 HydrophobicContact CG1-CD1 4.16Å; V141-I483 HydrophobicContact CG2-CD1 3.94Å
142R95.2Very high97.5Very high89 Ų8940.8 Ų40.834%0.33621%0.214SC..EExtended strand (participates in β ladder)trans-99119.6172-76.4-176168.1-86.14.3109.8Y474 T478 E479 V480R142-Y474 PolarHBondContact NH1-O 3.36Å; R142-T478 HydrophobicContact CB-CG2 4.32Å; R142-T478 PolarHBondContact NH1-OG1 2.93Å; R142-E479 CarbonylContact C-O 3.52Å; R142-E479 WeakPolarHBondContact CA-O 3.13Å; R142-V480 HydrophobicContact CG-CG2 4.32Å
143C96.3Very high97.6Very high37 Ų3735.9 Ų35.925%0.2519%0.188CC..EExtended strand (participates in β ladder)trans-104.1133.9176.8-60.30000109.4T478 E479C143-T478 CarbonylContact O-C 3.46Å; C143-T478 WeakPolarHBondContact O-CA 3.44Å; C143-T478 WeakPolarHBondContact O-CB 3.24Å; C143-E479 PolarHBondContact N-O 2.9Å; C143-E479 PolarHBondContact O-N 3.25Å
144P98.1Very high97.7Very high28 Ų2830.9 Ų30.918%0.18216%0.163CC..EExtended strand (participates in β ladder)trans-56.9144168.624-31.2000110F58 T171F58-P144 HydrophobicContact CE2-CB 3.99Å; F58-P144 HydrophobicContact CE2-CG 4.01Å; F58-P144 HydrophobicContact CZ-CB 4.28Å; F58-P144 HydrophobicContact CZ-CG 4Å; P144-T171 WeakPolarHBondContact CB-O 2.91Å
145V98.5Very high97.8Very high32 Ų3226.2 Ų26.219%0.19414%0.14CC..  trans-74.5-36.3-173.4-177.70000111.3N173 P225 L226 K249 F477 E479V145-N173 PolarHBondContact N-OD1 3.47Å; V145-P225 HydrophobicContact CG1-CB 3.92Å; V145-P225 HydrophobicContact CG1-CG 3.74Å; V145-L226 HydrophobicContact CB-CD2 3.39Å; V145-L226 HydrophobicContact CG1-CD2 3.56Å; V145-L226 HydrophobicContact CG2-CD2 4.04Å; V145-K249 HydrophobicContact CG2-CD 4.21Å; V145-F477 PolarHBondContact N-O 3.34Å; V145-E479 HydrophobicContact CG2-CG 4.24Å
146G98.6Very high97.9Very high8 Ų826 Ų268%0.08214%0.135CC..SBendtrans144.6-128.7-178.300000113.2F58 N173 T174F58-G146 VanDerWaalsContact CE2-CA 3.48Å; G146-N173 PolarHBondContact N-OD1 2.82Å; G146-N173 WeakPolarHBondContact O-CA 3.45Å; G146-N173 VanDerWaalsContact O-CB 3.26Å; G146-N173 WeakPolarHBondContact O-CB 3.3Å; G146-N173 PolarHBondContact O-OD1 3.11Å; G146-T174 PolarHBondContact O-N 2.94Å
147V98.9Very high97.9Very high6 Ų625.4 Ų25.44%0.03613%0.131CC..EExtended strand (participates in β ladder)trans-83.8123.3175.4-177.10000110.4A54 K55 V176 V224 P225A54-V147 HydrophobicContact CB-CB 4.43Å; A54-V147 HydrophobicContact CB-CG1 3.72Å; A54-V147 HydrophobicContact CB-CG2 3.87Å; K55-V147 HydrophobicContact CG-CG2 3.75Å; V147-V176 HydrophobicContact CG1-CG2 4.04Å; V147-V224 HydrophobicContact CG1-CG2 4.15Å; V147-P225 WeakPolarHBondContact O-CD 3.47Å
148A98.9Very high98Very high0 Ų022.7 Ų22.70%012%0.117CC..EExtended strand (participates in β ladder)trans-94.5119178.700000111.9L150 A168 N173 T174 V175 V176 L226 F477A148-L150 HydrophobicContact CB-CD2 3.99Å; A148-L150 HydrophobicContact CB-CG 4.34Å; A148-A168 HydrophobicContact CB-CB 4.31Å; A148-N173 HydrophobicContact CB-CB 4.48Å; A148-T174 WeakPolarHBondContact CB-O 3.01Å; A148-T174 PolarHBondContact N-O 3.33Å; A148-V175 HydrophobicContact CB-CG2 4.14Å; A148-V175 WeakPolarHBondContact O-CA 3.43Å; A148-V176 PolarHBondContact O-N 2.81Å; A148-L226 HydrophobicContact CB-CD1 3.4Å; A148-L226 HydrophobicContact CB-CD2 4.45Å; A148-L226 HydrophobicContact CB-CG 4.12Å; A148-F477 HydrophobicContact CB-CE1 4.26Å
149G98.9Very high98Very high0 Ų021.6 Ų21.60%011%0.11CC..EExtended strand (participates in β ladder)trans-87.2115.2168.200000110.4V176 L226 I227 S228G149-V176 WeakPolarHBondContact CA-O 3.41Å; G149-L226 PolarHBondContact N-O 3.24Å; G149-I227 VanDerWaalsContact O-CA 3.32Å; G149-I227 WeakPolarHBondContact O-CA 3.29Å; G149-S228 PolarHBondContact O-N 2.97Å
150L98.9Very high98Very high0 Ų018.8 Ų18.80%010%0.1CC..EExtended strand (participates in β ladder)trans-117123.1-175.4-50.1-178000110.1A148 K164 I165 A168 V175 V176 A177 K178 F477A148-L150 HydrophobicContact CB-CD2 3.99Å; A148-L150 HydrophobicContact CB-CG 4.34Å; L150-K164 HydrophobicContact CB-CB 4.28Å; L150-K164 HydrophobicContact CB-CD 4.4Å; L150-K164 HydrophobicContact CD1-CB 3.84Å; L150-K164 HydrophobicContact CD2-CB 4.17Å; L150-K164 HydrophobicContact CG-CB 4.33Å; L150-I165 HydrophobicContact CD1-CB 4.43Å; L150-I165 HydrophobicContact CD1-CG1 3.76Å; L150-A168 HydrophobicContact CD1-CB 4.47Å; L150-V175 HydrophobicContact CD1-CB 4.31Å; L150-V175 HydrophobicContact CD1-CG1 3.41Å; L150-V175 VanDerWaalsContact CD1-CG1 3.41Å; L150-V175 HydrophobicContact CD1-CG2 3.88Å; L150-V175 HydrophobicContact CG-CG1 3.9Å; L150-V176 PolarHBondContact N-O 3.36Å; L150-A177 HydrophobicContact CB-CB 4.22Å; L150-A177 CarbonylContact O-C 3.53Å; L150-A177 VanDerWaalsContact O-CA 3.3Å; L150-A177 WeakPolarHBondContact O-CA 3.46Å; L150-K178 PolarHBondContact O-N 3.41Å; L150-F477 HydrophobicContact CD2-CE1 4.01Å; L150-F477 HydrophobicContact CD2-CZ 4.13Å
151I98.9Very high98Very high15 Ų1517.8 Ų17.88%0.0779%0.094CC..EExtended strand (participates in β ladder)trans-123118180-57.2172.8000108.8K164 K178 L218 V219 S228 F229 T230I151-K164 WeakPolarHBondContact O-CE 3.48Å; I151-K178 WeakPolarHBondContact CA-O 3.42Å; I151-K178 HydrophobicContact CG1-CB 4.35Å; I151-K178 HydrophobicContact CG2-CD 4.31Å; I151-L218 HydrophobicContact CG1-CD2 4.16Å; I151-V219 HydrophobicContact CD1-CG2 3.64Å; I151-S228 PolarHBondContact N-O 3.47Å; I151-F229 HydrophobicContact CB-CD2 3.85Å; I151-F229 HydrophobicContact CG2-CD2 3.65Å; I151-F229 HydrophobicContact CG2-CE2 3.99Å; I151-F229 WeakPolarHBondContact O-CA 3.3Å; I151-T230 PolarHBondContact O-N 2.94Å; I151-T230 VanDerWaalsContact O-N 3.12Å
152S98.3Very high98.2Very high4 Ų415.8 Ų15.83%0.0288%0.082CC..  trans-114.1149.4-176.765.50000112.8K178 P179 S180S152-K178 PolarHBondContact N-O 3.04Å; S152-K178 VanDerWaalsContact N-O 3.16Å; S152-P179 WeakPolarHBondContact OG-CA 3.32Å; S152-S180 PolarHBondContact O-N 2.95Å; S152-S180 VanDerWaalsContact O-N 3.13Å
153P98.3Very high98.3Very high15 Ų1511.8 Ų11.810%0.0977%0.067CC..  trans-83.9-177.9-17837.8-40.3000111.1N155 L160 T230P153-N155 WeakPolarHBondContact CG-OD1 3.37Å; P153-L160 HydrophobicContact CG-CD1 3.45Å; P153-L160 VanDerWaalsContact CG-CD1 3.45Å; P153-T230 WeakPolarHBondContact CD-O 3.2Å; P153-T230 HydrophobicContact CG-CG2 3.84Å
154W98.4Very high98.4Very high47 Ų4710.1 Ų10.118%0.1786%0.055CC..SBendtrans-93.1-10.8-175.747-101.6000115.5Q95 P157 M182 T183 E285 I330 H334 F393Q95-W154 WeakPolarHBondContact CG-O 3.47Å; W154-P157 WeakPolarHBondContact O-CD 3.26Å; W154-P157 VanDerWaalsContact O-CG 3.29Å; W154-P157 WeakPolarHBondContact O-CG 3.46Å; W154-M182 HydrophobicContact CB-CB 4.18Å; W154-M182 HydrophobicContact CB-SD 4.5Å; W154-M182 HydrophobicContact CG-SD 4.08Å; W154-T183 WeakPolarHBondContact CA-OG1 3.09Å; W154-T183 HydrophobicContact CB-CG2 3.86Å; W154-T183 WeakPolarHBondContact CB-OG1 3.39Å; W154-T183 WeakPolarHBondContact O-CG2 3.36Å; W154-E285 HydrophobicContact CH2-CB 4.14Å; W154-E285 HydrophobicContact CH2-CG 3.99Å; W154-E285 WeakPolarHBondContact CH2-OE1 3.44Å; W154-E285 HydrophobicContact CZ3-CB 3.86Å; W154-E285 VanDerWaalsContact CZ3-CD 3.5Å; W154-E285 HydrophobicContact CZ3-CG 3.93Å; W154-E285 VanDerWaalsContact CZ3-OE1 3.31Å; W154-E285 WeakPolarHBondContact CZ3-OE1 3.5Å; W154-I330 HydrophobicContact CB-CD1 4.5Å; W154-I330 HydrophobicContact CB-CG1 4.24Å; W154-I330 HydrophobicContact CD2-CB 4.12Å; W154-I330 HydrophobicContact CD2-CG1 3.91Å; W154-I330 HydrophobicContact CD2-CG2 3.83Å; W154-I330 HydrophobicContact CE3-CB 3.5Å; W154-I330 HydrophobicContact CE3-CD1 4.38Å; W154-I330 HydrophobicContact CE3-CG1 3.63Å; W154-I330 HydrophobicContact CE3-CG2 3.53Å; W154-I330 HydrophobicContact CG-CG1 4.18Å; W154-I330 HydrophobicContact CH2-CB 4.17Å; W154-I330 HydrophobicContact CH2-CG2 3.4Å; W154-I330 HydrophobicContact CZ2-CG2 3.74Å; W154-I330 HydrophobicContact CZ3-CB 3.55Å; W154-I330 HydrophobicContact CZ3-CG1 4.22Å; W154-I330 HydrophobicContact CZ3-CG2 3.32Å; W154-H334 AromaticContact CH2-CD2 3.89Å; W154-H334 AromaticContact CH2-NE2 3.8Å; W154-F393 AromaticContact CH2-CD1 3.49Å; W154-F393 HydrophobicContact CH2-CD1 3.49Å; W154-F393 VanDerWaalsContact CH2-CD1 3.49Å; W154-F393 AromaticContact CH2-CE1 3.39Å; W154-F393 HydrophobicContact CH2-CE1 3.39Å; W154-F393 AromaticContact CZ2-CD1 3.86Å; W154-F393 HydrophobicContact CZ2-CD1 3.86Å; W154-F393 AromaticContact CZ2-CE1 3.77Å; W154-F393 HydrophobicContact CZ2-CE1 3.77Å; W154-F393 HydrophobicContact CZ3-CD1 4.42Å; W154-F393 AromaticContact CZ3-CE1 3.97Å; W154-F393 HydrophobicContact CZ3-CE1 3.97Å
155N98.3Very high98.4Very high5 Ų58.8 Ų8.83%0.0275%0.047CC..SBendtrans-82.8-35.2-164.769-55.1000113.5K97 P153 N282 E285 F393K97-N155 PolarHBondContact NZ-O 3.27Å; P153-N155 WeakPolarHBondContact CG-OD1 3.37Å; N155-N282 PolarHBondContact O-ND2 3.43Å; N155-N282 VanDerWaalsContact O-ND2 3.11Å; N155-E285 HydrophobicContact CB-CB 4.32Å; N155-E285 VanDerWaalsContact CB-O 3.26Å; N155-E285 WeakPolarHBondContact CB-O 3.39Å; N155-E285 PolarHBondContact ND2-O 3.09Å; N155-F393 HydrophobicContact CB-CE1 3.92Å; N155-F393 HydrophobicContact CB-CZ 4.04Å
156L97.8Very high98.4Very high13 Ų137.2 Ų7.27%0.0684%0.037CC..SBendtrans-131.568171.3-55.8168.9000108.6F101 D106 Y159 L160F101-L156 HydrophobicContact CE1-CD2 3.84Å; F101-L156 HydrophobicContact CZ-CD2 4.42Å; D106-L156 WeakPolarHBondContact OD1-CD2 3.42Å; L156-Y159 HydrophobicContact CB-CD1 3.96Å; L156-Y159 HydrophobicContact CD1-CD1 3.97Å; L156-Y159 HydrophobicContact CD1-CE1 3.96Å; L156-Y159 HydrophobicContact CG-CD1 4.44Å; L156-Y159 PolarHBondContact O-N 2.93Å; L156-L160 HydrophobicContact CB-CD1 3.92Å; L156-L160 HydrophobicContact CB-CG 3.92Å; L156-L160 HydrophobicContact CD1-CD1 4.5Å; L156-L160 WeakPolarHBondContact O-CB 3.48Å; L156-L160 PolarHBondContact O-N 2.93Å
157P98.1Very high98.4Very high5 Ų56.9 Ų6.93%0.0323%0.034CC..Hα-helixtrans-51-67.1-161.9-26.929.6000115.8E91 Q95 W154 Y159 L161 T183E91-P157 WeakPolarHBondContact OE1-CD 3.38Å; Q95-P157 HydrophobicContact CB-CG 4.37Å; Q95-P157 HydrophobicContact CG-CG 4.39Å; W154-P157 WeakPolarHBondContact O-CD 3.26Å; W154-P157 VanDerWaalsContact O-CG 3.29Å; W154-P157 WeakPolarHBondContact O-CG 3.46Å; P157-Y159 VanDerWaalsContact C-N 3.3Å; P157-Y159 PolarHBondContact O-N 3.26Å; P157-L161 VanDerWaalsContact O-CB 3.26Å; P157-L161 WeakPolarHBondContact O-CB 3.38Å; P157-L161 PolarHBondContact O-N 3.24Å; P157-L161 VanDerWaalsContact O-N 3.12Å; P157-T183 HydrophobicContact CG-CG2 3.81Å; P157-T183 WeakPolarHBondContact CG-OG1 3.01Å
158L98.6Very high98.4Very high0 Ų06.6 Ų6.60%03%0.032CC..Hα-helixtrans-70.2-36.4-176-174.463.3000110.6L87 E91 I107 L161 T162 M190L87-L158 HydrophobicContact CD1-CD2 4.29Å; L87-L158 HydrophobicContact CD2-CD2 4.18Å; E91-L158 PolarHBondContact OE1-N 3.25Å; E91-L158 VanDerWaalsContact OE1-N 3.09Å; I107-L158 HydrophobicContact CD1-CD2 3.87Å; L158-L161 PolarHBondContact O-N 3.44Å; L158-T162 HydrophobicContact CD1-CG2 4Å; L158-T162 HydrophobicContact CG-CG2 4.17Å; L158-T162 WeakPolarHBondContact O-CB 3.49Å; L158-T162 VanDerWaalsContact O-CG2 3.28Å; L158-T162 WeakPolarHBondContact O-CG2 3.45Å; L158-T162 PolarHBondContact O-N 2.87Å; L158-T162 PolarHBondContact O-OG1 2.9Å; L158-M190 HydrophobicContact CD1-CB 3.95Å; L158-M190 HydrophobicContact CD1-CG 4.31Å; L158-M190 HydrophobicContact CD1-SD 3.84Å
159Y97.8Very high98.4Very high9 Ų96.7 Ų6.74%0.0353%0.032CC..Hα-helixtrans-63.3-47.8-177.3171.1-144.2000112D106 R109 S110 N113 L156 P157 T162 W163 R451D106-Y159 WeakPolarHBondContact OD1-CD1 3.37Å; R109-Y159 HydrophobicContact CB-CD1 4.25Å; R109-Y159 HydrophobicContact CB-CD2 3.45Å; R109-Y159 VanDerWaalsContact CB-CD2 3.45Å; R109-Y159 HydrophobicContact CB-CE2 3.73Å; R109-Y159 HydrophobicContact CB-CG 3.86Å; R109-Y159 HydrophobicContact CG-CE2 4.44Å; S110-Y159 VanDerWaalsContact OG-CA 3.22Å; S110-Y159 WeakPolarHBondContact OG-CA 3.46Å; S110-Y159 PolarHBondContact OG-N 2.89Å; N113-Y159 PolarHBondContact ND2-O 2.94Å; L156-Y159 HydrophobicContact CB-CD1 3.96Å; L156-Y159 HydrophobicContact CD1-CD1 3.97Å; L156-Y159 HydrophobicContact CD1-CE1 3.96Å; L156-Y159 HydrophobicContact CG-CD1 4.44Å; L156-Y159 PolarHBondContact O-N 2.93Å; P157-Y159 VanDerWaalsContact C-N 3.3Å; P157-Y159 PolarHBondContact O-N 3.26Å; Y159-T162 PolarHBondContact O-OG1 2.77Å; Y159-W163 AromaticContact CE2-CE3 3.66Å; Y159-W163 HydrophobicContact CE2-CE3 3.66Å; Y159-W163 HydrophobicContact CE2-CZ3 4.05Å; Y159-W163 WeakPolarHBondContact O-CB 3.28Å; Y159-W163 PolarHBondContact O-N 3.12Å; Y159-W163 VanDerWaalsContact O-N 3.12Å; Y159-W163 WeakPolarHBondContact OH-CZ3 3.4Å; Y159-R451 PolarHBondContact OH-NH1 3.14Å; Y159-R451 PolarHBondContact OH-NH2 3.47Å
160L98.1Very high98.3Very high17 Ų176.7 Ų6.79%0.0893%0.032CC..Hα-helixtrans-76.5-26.4177.6-67.2174.2000113.1P153 L156 T230P153-L160 HydrophobicContact CG-CD1 3.45Å; P153-L160 VanDerWaalsContact CG-CD1 3.45Å; L156-L160 HydrophobicContact CB-CD1 3.92Å; L156-L160 HydrophobicContact CB-CG 3.92Å; L156-L160 HydrophobicContact CD1-CD1 4.5Å; L156-L160 WeakPolarHBondContact O-CB 3.48Å; L156-L160 PolarHBondContact O-N 2.93Å; L160-T230 HydrophobicContact CD1-CG2 4.47Å
161L98.7Very high98.3Very high1 Ų17.1 Ų7.11%0.0054%0.035CC..Hα-helixtrans-65.2-51172.5179.161.1000111.1P157 L158 W163 K164 I165 A177 A187 M190P157-L161 VanDerWaalsContact O-CB 3.26Å; P157-L161 WeakPolarHBondContact O-CB 3.38Å; P157-L161 PolarHBondContact O-N 3.24Å; P157-L161 VanDerWaalsContact O-N 3.12Å; L158-L161 PolarHBondContact O-N 3.44Å; L161-W163 VanDerWaalsContact C-N 3.27Å; L161-W163 PolarHBondContact O-N 3.49Å; L161-K164 PolarHBondContact O-N 2.78Å; L161-I165 HydrophobicContact CD1-CD1 3.8Å; L161-I165 HydrophobicContact CD1-CG1 4.22Å; L161-I165 HydrophobicContact CD2-CD1 4.31Å; L161-I165 HydrophobicContact CG-CD1 3.73Å; L161-I165 HydrophobicContact CG-CG1 4.43Å; L161-I165 WeakPolarHBondContact O-CG1 3.22Å; L161-I165 PolarHBondContact O-N 3.03Å; L161-A177 HydrophobicContact CD1-CB 3.86Å; L161-A187 HydrophobicContact CD2-CB 3.46Å; L161-A187 VanDerWaalsContact CD2-CB 3.46Å; L161-M190 HydrophobicContact CD2-CE 4.12Å
162T98.4Very high98.3Very high0 Ų06.4 Ų6.40%03%0.031CC..Hα-helixtrans-66-30.4179.456.30000112.4S110 N113 F114 L158 Y159 K164 I165 A166 M190S110-T162 WeakPolarHBondContact CA-OG1 3.35Å; N113-T162 PolarHBondContact ND2-OG1 2.81Å; N113-T162 VanDerWaalsContact ND2-OG1 3.09Å; F114-T162 HydrophobicContact CD2-CG2 4.3Å; F114-T162 HydrophobicContact CE2-CG2 3.41Å; F114-T162 VanDerWaalsContact CE2-CG2 3.41Å; F114-T162 HydrophobicContact CZ-CG2 3.92Å; L158-T162 HydrophobicContact CD1-CG2 4Å; L158-T162 HydrophobicContact CG-CG2 4.17Å; L158-T162 WeakPolarHBondContact O-CB 3.49Å; L158-T162 VanDerWaalsContact O-CG2 3.28Å; L158-T162 WeakPolarHBondContact O-CG2 3.45Å; L158-T162 PolarHBondContact O-N 2.87Å; L158-T162 PolarHBondContact O-OG1 2.9Å; Y159-T162 PolarHBondContact O-OG1 2.77Å; T162-K164 PolarHBondContact O-N 3.35Å; T162-I165 PolarHBondContact O-N 2.98Å; T162-A166 WeakPolarHBondContact O-CB 3.4Å; T162-A166 PolarHBondContact O-N 3.46Å; T162-M190 HydrophobicContact CG2-SD 3.88Å
163W96.7Very high98.3Very high6 Ų66.2 Ų6.22%0.0233%0.03CC..Hα-helixtrans-58.5-28.7172.6-170.2-87.4000113R109 N113 Y159 L161 P167 R451 L453 F457 E468R109-W163 VanDerWaalsContact NH2-CZ3 3.31Å; N113-W163 WeakPolarHBondContact ND2-CA 3.39Å; N113-W163 PolarHBondContact ND2-N 3.19Å; Y159-W163 AromaticContact CE2-CE3 3.66Å; Y159-W163 HydrophobicContact CE2-CE3 3.66Å; Y159-W163 HydrophobicContact CE2-CZ3 4.05Å; Y159-W163 WeakPolarHBondContact O-CB 3.28Å; Y159-W163 PolarHBondContact O-N 3.12Å; Y159-W163 VanDerWaalsContact O-N 3.12Å; Y159-W163 WeakPolarHBondContact OH-CZ3 3.4Å; L161-W163 VanDerWaalsContact C-N 3.27Å; L161-W163 PolarHBondContact O-N 3.49Å; W163-P167 WeakPolarHBondContact O-CD 3.36Å; W163-P167 WeakPolarHBondContact O-CG 3.33Å; W163-R451 VanDerWaalsContact CH2-NH1 3.32Å; W163-L453 HydrophobicContact CD2-CD2 4.48Å; W163-L453 HydrophobicContact CE3-CD2 3.93Å; W163-L453 HydrophobicContact CH2-CD2 3.13Å; W163-L453 HydrophobicContact CH2-CG 4.25Å; W163-L453 HydrophobicContact CZ2-CD2 3.71Å; W163-L453 HydrophobicContact CZ3-CD2 3.29Å; W163-L453 HydrophobicContact CZ3-CG 4.26Å; W163-F457 HydrophobicContact CZ2-CB 4.03Å; W163-F457 HydrophobicContact CZ2-CG 4.27Å; W163-E468 PolarHBondContact NE1-OE2 3.48Å
164K98.5Very high98.3Very high1 Ų15.5 Ų5.50%0.0043%0.025CC..Hα-helixtrans-91.2-43.6176.6-62.2-177.9-175.8-59.50112.4L150 I151 L161 T162 P167 A168 S228 T230 E468L150-K164 HydrophobicContact CB-CB 4.28Å; L150-K164 HydrophobicContact CB-CD 4.4Å; L150-K164 HydrophobicContact CD1-CB 3.84Å; L150-K164 HydrophobicContact CD2-CB 4.17Å; L150-K164 HydrophobicContact CG-CB 4.33Å; I151-K164 WeakPolarHBondContact O-CE 3.48Å; L161-K164 PolarHBondContact O-N 2.78Å; T162-K164 PolarHBondContact O-N 3.35Å; K164-P167 WeakPolarHBondContact O-CD 3.4Å; K164-P167 WeakPolarHBondContact O-CG 3.47Å; K164-A168 WeakPolarHBondContact O-CB 3.35Å; K164-A168 PolarHBondContact O-N 3.45Å; K164-S228 PolarHBondContact NZ-OG 3.43Å; K164-T230 WeakPolarHBondContact CE-OG1 3.34Å; K164-T230 PolarHBondContact NZ-OG1 3.12Å; K164-E468 IonicContact NZ-OE1 3.86Å; K164-E468 PolarHBondContact NZ-OE1 3.23Å
165I98.8Very high98.4Very high0 Ų03.3 Ų3.30%02%0.017CC..Hα-helixtrans-65-50.4-177.7-66.2175.8000110.7F114 L150 L161 T162 A168 I169 V175 A177 M190 V204F114-I165 HydrophobicContact CE1-CG2 4.02Å; F114-I165 HydrophobicContact CZ-CB 4.47Å; F114-I165 HydrophobicContact CZ-CG2 4.13Å; L150-I165 HydrophobicContact CD1-CB 4.43Å; L150-I165 HydrophobicContact CD1-CG1 3.76Å; L161-I165 HydrophobicContact CD1-CD1 3.8Å; L161-I165 HydrophobicContact CD1-CG1 4.22Å; L161-I165 HydrophobicContact CD2-CD1 4.31Å; L161-I165 HydrophobicContact CG-CD1 3.73Å; L161-I165 HydrophobicContact CG-CG1 4.43Å; L161-I165 WeakPolarHBondContact O-CG1 3.22Å; L161-I165 PolarHBondContact O-N 3.03Å; T162-I165 PolarHBondContact O-N 2.98Å; I165-A168 WeakPolarHBondContact O-CB 3.43Å; I165-A168 PolarHBondContact O-N 3.19Å; I165-A168 VanDerWaalsContact O-N 3.09Å; I165-I169 HydrophobicContact CG2-CD1 4.27Å; I165-I169 HydrophobicContact CG2-CG1 4.27Å; I165-I169 HydrophobicContact CG2-CG2 4.36Å; I165-I169 WeakPolarHBondContact O-CG1 3.26Å; I165-I169 PolarHBondContact O-N 2.85Å; I165-V175 HydrophobicContact CG1-CG1 4.35Å; I165-A177 HydrophobicContact CD1-CB 4.43Å; I165-M190 HydrophobicContact CD1-CE 3.7Å; I165-V204 HydrophobicContact CD1-CG1 4.36Å; I165-V204 HydrophobicContact CG2-CG2 4.16Å
166A98.6Very high98.4Very high0 Ų03.1 Ų3.10%02%0.016CC..Hα-helixtrans-52.2-54.6-173.700000113.4N113 F114 F117 T162 A168 A170N113-A166 HydrophobicContact CB-CB 4.34Å; F114-A166 HydrophobicContact CD1-CB 3.5Å; F114-A166 VanDerWaalsContact CD1-CB 3.5Å; F114-A166 HydrophobicContact CE1-CB 3.77Å; F114-A166 HydrophobicContact CG-CB 4.14Å; F117-A166 HydrophobicContact CB-CB 4.24Å; F117-A166 HydrophobicContact CD2-CB 3.74Å; F117-A166 HydrophobicContact CG-CB 4.36Å; T162-A166 WeakPolarHBondContact O-CB 3.4Å; T162-A166 PolarHBondContact O-N 3.46Å; A166-A168 PolarHBondContact O-N 3.16Å; A166-A170 WeakPolarHBondContact O-CB 3.25Å; A166-A170 PolarHBondContact O-N 3.05Å
167P98.3Very high98.5Very high1 Ų12.5 Ų2.51%0.0061%0.013CC..Hα-helixtrans-66.5-34177.623.6-31.8000113.8F117 W163 K164 T171 F477F117-P167 HydrophobicContact CD1-CB 3.83Å; F117-P167 HydrophobicContact CD2-CB 4.1Å; F117-P167 HydrophobicContact CD2-CG 4.24Å; F117-P167 HydrophobicContact CE1-CB 3.65Å; F117-P167 HydrophobicContact CE1-CG 4.44Å; F117-P167 HydrophobicContact CE2-CB 3.92Å; F117-P167 HydrophobicContact CE2-CG 3.87Å; F117-P167 HydrophobicContact CG-CB 4.08Å; F117-P167 HydrophobicContact CZ-CB 3.69Å; F117-P167 HydrophobicContact CZ-CG 3.98Å; W163-P167 WeakPolarHBondContact O-CD 3.36Å; W163-P167 WeakPolarHBondContact O-CG 3.33Å; K164-P167 WeakPolarHBondContact O-CD 3.4Å; K164-P167 WeakPolarHBondContact O-CG 3.47Å; P167-T171 WeakPolarHBondContact O-CG2 3.35Å; P167-T171 PolarHBondContact O-N 3.33Å; P167-T171 VanDerWaalsContact O-N 3.15Å; P167-T171 PolarHBondContact O-OG1 2.89Å; P167-F477 HydrophobicContact CB-CD2 3.82Å; P167-F477 HydrophobicContact CB-CE2 3.84Å; P167-F477 HydrophobicContact CG-CD2 4.13Å; P167-F477 HydrophobicContact CG-CE2 3.6Å; P167-F477 HydrophobicContact CG-CZ 4.44Å
168A98.8Very high98.5Very high0 Ų02.6 Ų2.60%01%0.013CC..Hα-helixtrans-62.5-51.6179.900000111.1A148 L150 K164 I165 A166 T171 G172 N173 V175 F477A148-A168 HydrophobicContact CB-CB 4.31Å; L150-A168 HydrophobicContact CD1-CB 4.47Å; K164-A168 WeakPolarHBondContact O-CB 3.35Å; K164-A168 PolarHBondContact O-N 3.45Å; I165-A168 WeakPolarHBondContact O-CB 3.43Å; I165-A168 PolarHBondContact O-N 3.19Å; I165-A168 VanDerWaalsContact O-N 3.09Å; A166-A168 PolarHBondContact O-N 3.16Å; A168-T171 PolarHBondContact O-N 2.93Å; A168-T171 PolarHBondContact O-OG1 2.98Å; A168-G172 PolarHBondContact O-N 3.47Å; A168-N173 VanDerWaalsContact O-CB 3.29Å; A168-N173 WeakPolarHBondContact O-CB 3.23Å; A168-N173 PolarHBondContact O-N 3.38Å; A168-N173 PolarHBondContact O-ND2 3.39Å; A168-V175 HydrophobicContact CB-CG2 3.75Å; A168-F477 HydrophobicContact CB-CD1 3.75Å; A168-F477 HydrophobicContact CB-CE1 3.5Å; A168-F477 VanDerWaalsContact CB-CE1 3.5Å; A168-F477 HydrophobicContact CB-CE2 4.4Å; A168-F477 HydrophobicContact CB-CG 4.31Å; A168-F477 HydrophobicContact CB-CZ 3.86Å
169I98.7Very high98.5Very high1 Ų12.8 Ų2.81%0.0051%0.014CC..Hα-helixtrans-76.4-30.5-179.663.4161.7000112.1W61 R69 L73 F114 I165 T171 G172 V175 V203 V204W61-I169 HydrophobicContact CZ2-CB 4.1Å; W61-I169 WeakPolarHBondContact CZ2-O 3.08Å; W61-I169 PolarHBondContact NE1-O 2.87Å; W61-I169 VanDerWaalsContact NE1-O 3.1Å; R69-I169 WeakPolarHBondContact CD-O 3.4Å; L73-I169 HydrophobicContact CD1-CD1 3.71Å; L73-I169 HydrophobicContact CD1-CG1 3.92Å; L73-I169 HydrophobicContact CG-CD1 4.08Å; L73-I169 HydrophobicContact CG-CG1 4.34Å; F114-I169 HydrophobicContact CE1-CD1 4.27Å; I165-I169 HydrophobicContact CG2-CD1 4.27Å; I165-I169 HydrophobicContact CG2-CG1 4.27Å; I165-I169 HydrophobicContact CG2-CG2 4.36Å; I165-I169 WeakPolarHBondContact O-CG1 3.26Å; I165-I169 PolarHBondContact O-N 2.85Å; I169-T171 VanDerWaalsContact C-N 3.25Å; I169-T171 PolarHBondContact O-N 2.91Å; I169-G172 PolarHBondContact O-N 2.84Å; I169-V175 HydrophobicContact CG2-CG2 3.82Å; I169-V203 HydrophobicContact CG2-CG1 3.95Å; I169-V204 HydrophobicContact CG2-CG2 3.9Å
170A98.4Very high98.5Very high0 Ų02.7 Ų2.70%02%0.015CC..Hα-helixtrans-58.1-40.2173.600000111.7R69 L73 F117 V121 A166 G172R69-A170 PolarHBondContact NE-O 3.2Å; R69-A170 PolarHBondContact NH2-O 2.82Å; L73-A170 HydrophobicContact CD2-CB 3.79Å; F117-A170 HydrophobicContact CB-CB 3.99Å; V121-A170 HydrophobicContact CB-CB 4.36Å; V121-A170 WeakPolarHBondContact CG2-O 3.33Å; A166-A170 WeakPolarHBondContact O-CB 3.25Å; A166-A170 PolarHBondContact O-N 3.05Å; A170-G172 VanDerWaalsContact C-N 3.27Å; A170-G172 PolarHBondContact O-N 3.5Å
171T98.1Very high98.5Very high10 Ų104.2 Ų4.26%0.0612%0.021CC..THydrogen-bonded Turntrans-77.9-7.6178.644.90000114.6P144 P167 A168 I169 N173 Y474 F477 T478P144-T171 WeakPolarHBondContact CB-O 2.91Å; P167-T171 WeakPolarHBondContact O-CG2 3.35Å; P167-T171 PolarHBondContact O-N 3.33Å; P167-T171 VanDerWaalsContact O-N 3.15Å; P167-T171 PolarHBondContact O-OG1 2.89Å; A168-T171 PolarHBondContact O-N 2.93Å; A168-T171 PolarHBondContact O-OG1 2.98Å; I169-T171 VanDerWaalsContact C-N 3.25Å; I169-T171 PolarHBondContact O-N 2.91Å; T171-N173 PolarHBondContact OG1-ND2 2.99Å; T171-Y474 HydrophobicContact CG2-CD1 3.28Å; T171-Y474 HydrophobicContact CG2-CE1 3.82Å; T171-Y474 HydrophobicContact CG2-CG 4.34Å; T171-F477 HydrophobicContact CG2-CB 4.28Å; T171-F477 WeakPolarHBondContact OG1-CB 3.5Å; T171-T478 HydrophobicContact CG2-CG2 3.77Å
172G98.4Very high98.4Very high0 Ų06.7 Ų6.70%03%0.034CC..THydrogen-bonded Turntrans94.712.4179.400000114.7F58 A168 I169 A170F58-G172 WeakPolarHBondContact CE2-O 3.41Å; A168-G172 PolarHBondContact O-N 3.47Å; I169-G172 PolarHBondContact O-N 2.84Å; A170-G172 VanDerWaalsContact C-N 3.27Å; A170-G172 PolarHBondContact O-N 3.5Å
173N98.9Very high98.4Very high0 Ų06.7 Ų6.70%03%0.034CC..  trans-76.7156.4168.9-59.7-87.4000110.5W61 V145 G146 A148 A168 T171 F477W61-N173 VanDerWaalsContact CD1-O 3.24Å; W61-N173 PolarHBondContact NE1-O 3.25Å; V145-N173 PolarHBondContact N-OD1 3.47Å; G146-N173 PolarHBondContact N-OD1 2.82Å; G146-N173 WeakPolarHBondContact O-CA 3.45Å; G146-N173 VanDerWaalsContact O-CB 3.26Å; G146-N173 WeakPolarHBondContact O-CB 3.3Å; G146-N173 PolarHBondContact O-OD1 3.11Å; A148-N173 HydrophobicContact CB-CB 4.48Å; A168-N173 VanDerWaalsContact O-CB 3.29Å; A168-N173 WeakPolarHBondContact O-CB 3.23Å; A168-N173 PolarHBondContact O-N 3.38Å; A168-N173 PolarHBondContact O-ND2 3.39Å; T171-N173 PolarHBondContact OG1-ND2 2.99Å; N173-F477 PolarHBondContact ND2-O 2.83Å; N173-F477 PolarHBondContact OD1-O 3.21Å
174T98.9Very high98.5Very high0 Ų06.4 Ų6.40%03%0.033CC..EExtended strand (participates in β ladder)trans-99.9159.9164.255.10000109.2A54 A57 F58 W61 G146 A148 V203A54-T174 WeakPolarHBondContact O-CB 3.35Å; A54-T174 WeakPolarHBondContact O-CG2 3.35Å; A54-T174 PolarHBondContact O-OG1 3.36Å; A57-T174 HydrophobicContact CB-CG2 4.17Å; F58-T174 HydrophobicContact CB-CG2 3.91Å; F58-T174 HydrophobicContact CD2-CG2 4.28Å; W61-T174 HydrophobicContact CB-CG2 4.38Å; G146-T174 PolarHBondContact O-N 2.94Å; A148-T174 WeakPolarHBondContact CB-O 3.01Å; A148-T174 PolarHBondContact N-O 3.33Å; T174-V203 CarbonylContact C-O 3.46Å; T174-V203 WeakPolarHBondContact CA-O 3.35Å; T174-V203 HydrophobicContact CG2-CB 4.49Å; T174-V203 HydrophobicContact CG2-CG2 4.27Å
175V98.9Very high98.5Very high0 Ų06.4 Ų6.40%03%0.033CC..EExtended strand (participates in β ladder)trans-129.2138-165.4169.20000111.5A148 L150 I165 A168 I169 A177 V203 N205A148-V175 HydrophobicContact CB-CG2 4.14Å; A148-V175 WeakPolarHBondContact O-CA 3.43Å; L150-V175 HydrophobicContact CD1-CB 4.31Å; L150-V175 HydrophobicContact CD1-CG1 3.41Å; L150-V175 VanDerWaalsContact CD1-CG1 3.41Å; L150-V175 HydrophobicContact CD1-CG2 3.88Å; L150-V175 HydrophobicContact CG-CG1 3.9Å; I165-V175 HydrophobicContact CG1-CG1 4.35Å; A168-V175 HydrophobicContact CB-CG2 3.75Å; I169-V175 HydrophobicContact CG2-CG2 3.82Å; V175-A177 HydrophobicContact CG1-CB 3.93Å; V175-V203 PolarHBondContact N-O 2.89Å; V175-N205 PolarHBondContact O-N 3.09Å; V175-N205 PolarHBondContact O-ND2 2.9Å
176V98.9Very high98.5Very high1 Ų16.4 Ų6.41%0.0063%0.033CC..EExtended strand (participates in β ladder)trans-118109.3156.7-177.20000107.7A50 V51 A54 V147 A148 G149 L150 N205 V207 L218A50-V176 HydrophobicContact CB-CG1 3.85Å; A50-V176 HydrophobicContact CB-CG2 4.01Å; V51-V176 HydrophobicContact CG2-CG2 3.91Å; A54-V176 HydrophobicContact CB-CG2 4.03Å; V147-V176 HydrophobicContact CG1-CG2 4.04Å; A148-V176 PolarHBondContact O-N 2.81Å; G149-V176 WeakPolarHBondContact CA-O 3.41Å; L150-V176 PolarHBondContact N-O 3.36Å; V176-N205 WeakPolarHBondContact CA-O 3.13Å; V176-N205 HydrophobicContact CG2-CB 4.39Å; V176-V207 HydrophobicContact CG1-CG2 4.24Å; V176-L218 HydrophobicContact CB-CD1 3.89Å; V176-L218 HydrophobicContact CG1-CD1 3.77Å; V176-L218 HydrophobicContact CG1-CD2 4.38Å
177A98.9Very high98.5Very high0 Ų06.5 Ų6.50%03%0.033CC..EExtended strand (participates in β ladder)trans-104.1140.4-178.400000111.7L150 L161 I165 V175 N205 V206 V207L150-A177 HydrophobicContact CB-CB 4.22Å; L150-A177 CarbonylContact O-C 3.53Å; L150-A177 VanDerWaalsContact O-CA 3.3Å; L150-A177 WeakPolarHBondContact O-CA 3.46Å; L161-A177 HydrophobicContact CD1-CB 3.86Å; I165-A177 HydrophobicContact CD1-CB 4.43Å; V175-A177 HydrophobicContact CG1-CB 3.93Å; A177-N205 PolarHBondContact N-O 3.33Å; A177-V206 HydrophobicContact CB-CG2 4.5Å; A177-V206 WeakPolarHBondContact O-CA 3.18Å; A177-V207 PolarHBondContact O-N 2.69Å
178K98.8Very high98.5Very high8 Ų87.8 Ų7.84%0.0354%0.038CC..EExtended strand (participates in β ladder)trans-125.398.8174.6-170.7-89.7159-165.80108.5L150 I151 S152 E181 V207 G209 A214 L218L150-K178 PolarHBondContact O-N 3.41Å; I151-K178 WeakPolarHBondContact CA-O 3.42Å; I151-K178 HydrophobicContact CG1-CB 4.35Å; I151-K178 HydrophobicContact CG2-CD 4.31Å; S152-K178 PolarHBondContact N-O 3.04Å; S152-K178 VanDerWaalsContact N-O 3.16Å; K178-E181 IonicContact NZ-OE2 3.95Å; K178-E181 PolarHBondContact NZ-OE2 2.99Å; K178-V207 WeakPolarHBondContact CA-O 3.39Å; K178-G209 WeakPolarHBondContact CE-O 3.43Å; K178-G209 PolarHBondContact NZ-O 2.91Å; K178-A214 HydrophobicContact CG-CB 4.18Å; K178-L218 HydrophobicContact CB-CD2 4.24Å
179P98.6Very high98.5Very high3 Ų39.5 Ų9.52%0.0195%0.046CC..  trans-72.6168.1171.131.1-33.8000111.1S152 E181 A187 V206 F208S152-P179 WeakPolarHBondContact OG-CA 3.32Å; P179-E181 PolarHBondContact O-N 3.28Å; P179-A187 HydrophobicContact CB-CB 4.09Å; P179-A187 HydrophobicContact CG-CB 3.88Å; P179-V206 HydrophobicContact CG-CG1 4.14Å; P179-F208 HydrophobicContact CG-CD1 3.63Å; P179-F208 HydrophobicContact CG-CE1 3.48Å; P179-F208 VanDerWaalsContact CG-CE1 3.48Å
180S98.4Very high98.5Very high8 Ų89.4 Ų9.46%0.0565%0.046CC..  trans-62.9134.3171.5-174.70000110.7S152 M182 T183 S184S152-S180 PolarHBondContact O-N 2.95Å; S152-S180 VanDerWaalsContact O-N 3.13Å; S180-M182 PolarHBondContact O-N 3.38Å; S180-M182 VanDerWaalsContact O-N 3.15Å; S180-M182 PolarHBondContact OG-N 2.85Å; S180-T183 CarbonylContact O-C 3.41Å; S180-T183 PolarHBondContact O-N 3.17Å; S180-T183 VanDerWaalsContact O-N 3.09Å; S180-S184 PolarHBondContact O-OG 2.92Å
181E97.1Very high98.5Very high49 Ų499.5 Ų9.523%0.2295%0.046CC..THydrogen-bonded Turntrans-59.4-22.8174.558.1-88-149.900113.3I25 K178 P179 T183I25-E181 HydrophobicContact CD1-CB 3.35Å; I25-E181 HydrophobicContact CD1-CG 3.91Å; I25-E181 HydrophobicContact CG1-CB 4.41Å; K178-E181 IonicContact NZ-OE2 3.95Å; K178-E181 PolarHBondContact NZ-OE2 2.99Å; P179-E181 PolarHBondContact O-N 3.28Å; E181-T183 VanDerWaalsContact C-N 3.32Å
182M97.7Very high98.4Very high53 Ų5313.9 Ų13.926%0.2617%0.065SC..THydrogen-bonded Turntrans-77.1-19.4179.6-52.9175.180.400112.8S27 W154 S180 I330 S331S27-M182 PolarHBondContact OG-O 3.49Å; W154-M182 HydrophobicContact CB-CB 4.18Å; W154-M182 HydrophobicContact CB-SD 4.5Å; W154-M182 HydrophobicContact CG-SD 4.08Å; S180-M182 PolarHBondContact O-N 3.38Å; S180-M182 VanDerWaalsContact O-N 3.15Å; S180-M182 PolarHBondContact OG-N 2.85Å; M182-I330 HydrophobicContact CB-CD1 4.3Å; M182-I330 HydrophobicContact CB-CG1 4.18Å; M182-I330 HydrophobicContact CE-CB 4.44Å; M182-I330 HydrophobicContact CE-CG1 3.65Å; M182-I330 HydrophobicContact CE-CG2 4Å; M182-I330 HydrophobicContact SD-CG1 4.26Å; M182-S331 WeakPolarHBondContact CE-OG 3.29Å
183T98.1Very high98.4Very high0 Ų014.5 Ų14.50%07%0.068CC..SBendtrans-148.970.5-17357.70000111D94 Q95 W154 P157 S180 E181 I330D94-T183 WeakPolarHBondContact OD2-CA 3.47Å; Q95-T183 HydrophobicContact CB-CG2 3.98Å; Q95-T183 HydrophobicContact CG-CG2 4.13Å; W154-T183 WeakPolarHBondContact CA-OG1 3.09Å; W154-T183 HydrophobicContact CB-CG2 3.86Å; W154-T183 WeakPolarHBondContact CB-OG1 3.39Å; W154-T183 WeakPolarHBondContact O-CG2 3.36Å; P157-T183 HydrophobicContact CG-CG2 3.81Å; P157-T183 WeakPolarHBondContact CG-OG1 3.01Å; S180-T183 CarbonylContact O-C 3.41Å; S180-T183 PolarHBondContact O-N 3.17Å; S180-T183 VanDerWaalsContact O-N 3.09Å; E181-T183 VanDerWaalsContact C-N 3.32Å; T183-I330 HydrophobicContact CG2-CD1 3.42Å; T183-I330 VanDerWaalsContact CG2-CD1 3.42Å; T183-I330 HydrophobicContact CG2-CG1 4.48Å
184S98Very high98.4Very high0 Ų014.5 Ų14.50%07%0.068CC..  trans-107-10.5-169.8-76.20000114D94 S180 A187 W188 F208D94-S184 PolarHBondContact OD2-N 3.36Å; S180-S184 PolarHBondContact O-OG 2.92Å; S184-A187 PolarHBondContact O-N 3.31Å; S184-W188 WeakPolarHBondContact O-CB 3.46Å; S184-W188 PolarHBondContact O-N 2.82Å; S184-F208 WeakPolarHBondContact OG-CD1 3.46Å
185V98.6Very high98.3Very high1 Ų121.7 Ų21.71%0.00610%0.101CC..Hα-helixtrans-68.7-45.1-168.1177.30000112L8 L10 Y36 A90 D94 W188 M189L8-V185 HydrophobicContact CD2-CG1 4.21Å; L8-V185 HydrophobicContact CD2-CG2 4.37Å; L10-V185 HydrophobicContact CD1-CG2 4.3Å; L10-V185 HydrophobicContact CD2-CG2 4.49Å; Y36-V185 HydrophobicContact CD1-CG2 4.13Å; Y36-V185 HydrophobicContact CE1-CB 4.25Å; Y36-V185 HydrophobicContact CE1-CG1 4.29Å; Y36-V185 HydrophobicContact CE1-CG2 3.65Å; A90-V185 HydrophobicContact CB-CG1 3.95Å; D94-V185 HydrophobicContact CB-CB 4.42Å; D94-V185 HydrophobicContact CB-CG2 4.48Å; D94-V185 WeakPolarHBondContact OD2-CB 3.46Å; D94-V185 WeakPolarHBondContact OD2-CG2 3.46Å; D94-V185 PolarHBondContact OD2-N 3.25Å; V185-W188 WeakPolarHBondContact O-CB 3.49Å; V185-W188 PolarHBondContact O-N 3.46Å; V185-M189 HydrophobicContact CG1-CG 4.44Å; V185-M189 HydrophobicContact CG1-SD 4.03Å; V185-M189 VanDerWaalsContact O-CG 3.3Å; V185-M189 WeakPolarHBondContact O-CG 3.37Å; V185-M189 PolarHBondContact O-N 2.95Å
186T98.7Very high98.2Very high0 Ų027 Ų270%013%0.126CC..Hα-helixtrans-71.6-31.4-179.850.40000113.1L87 A90 E91 M189 M190L87-T186 HydrophobicContact CD2-CG2 4.29Å; A90-T186 HydrophobicContact CB-CG2 3.68Å; E91-T186 HydrophobicContact CB-CG2 3.91Å; E91-T186 WeakPolarHBondContact OE2-CB 3.4Å; E91-T186 WeakPolarHBondContact OE2-CG2 3.26Å; E91-T186 PolarHBondContact OE2-OG1 3.21Å; T186-M189 PolarHBondContact O-N 3.21Å; T186-M190 WeakPolarHBondContact O-CB 3.26Å; T186-M190 PolarHBondContact O-N 2.91Å
187A98.6Very high98.2Very high1 Ų127.1 Ų27.11%0.00813%0.127CC..Hα-helixtrans-62.2-44.1169.200000111.3L161 P179 S184 M190 C191 F208L161-A187 HydrophobicContact CD2-CB 3.46Å; L161-A187 VanDerWaalsContact CD2-CB 3.46Å; P179-A187 HydrophobicContact CB-CB 4.09Å; P179-A187 HydrophobicContact CG-CB 3.88Å; S184-A187 PolarHBondContact O-N 3.31Å; A187-M190 PolarHBondContact O-N 3.06Å; A187-C191 PolarHBondContact O-N 2.81Å; A187-C191 PolarHBondContact O-SG 3.03Å; A187-F208 HydrophobicContact CB-CE1 4.25Å
188W98.6Very high98.1Very high28 Ų2828.9 Ų28.911%0.10615%0.146CC..Hα-helixtrans-64.8-39.6174.9176.780.6000112.6L8 L10 E11 F18 S184 V185 C191 K192 F208L8-W188 HydrophobicContact CD1-CH2 3.92Å; L8-W188 HydrophobicContact CD1-CZ3 4.03Å; L8-W188 HydrophobicContact CD2-CZ3 4.49Å; L10-W188 HydrophobicContact CB-CG 4.3Å; L10-W188 HydrophobicContact CD1-CB 4.19Å; L10-W188 HydrophobicContact CD2-CB 4.19Å; L10-W188 HydrophobicContact CD2-CD2 3.67Å; L10-W188 HydrophobicContact CD2-CE3 3.79Å; L10-W188 HydrophobicContact CD2-CG 3.85Å; L10-W188 HydrophobicContact CD2-CZ3 4.34Å; L10-W188 HydrophobicContact CG-CG 4.46Å; E11-W188 VanDerWaalsContact O-CD1 3.29Å; F18-W188 AromaticContact CD1-NE1 3.54Å; F18-W188 AromaticContact CE1-CD1 3.62Å; F18-W188 HydrophobicContact CE1-CG 4.47Å; F18-W188 AromaticContact CE1-NE1 3.32Å; F18-W188 VanDerWaalsContact CE1-NE1 3.32Å; S184-W188 WeakPolarHBondContact O-CB 3.46Å; S184-W188 PolarHBondContact O-N 2.82Å; V185-W188 WeakPolarHBondContact O-CB 3.49Å; V185-W188 PolarHBondContact O-N 3.46Å; W188-C191 VanDerWaalsContact O-CB 3.29Å; W188-C191 WeakPolarHBondContact O-CB 3.17Å; W188-C191 PolarHBondContact O-N 3.32Å; W188-K192 VanDerWaalsContact CH2-CE 3.43Å; W188-F208 HydrophobicContact CB-CE1 4.5Å; W188-F208 HydrophobicContact CB-CE2 4.45Å; W188-F208 HydrophobicContact CB-CZ 3.79Å
189M98.7Very high98.1Very high36 Ų3629 Ų2918%0.17715%0.147CC..Hα-helixtrans-63.4-43.4174.8-70.8172.169.100112D86 L87 A90 V185 T186 C191 K192D86-M189 HydrophobicContact CB-CE 3.72Å; L87-M189 HydrophobicContact CD2-CB 3.83Å; L87-M189 HydrophobicContact CD2-CE 3.94Å; L87-M189 HydrophobicContact CD2-SD 4.26Å; L87-M189 HydrophobicContact CG-CE 4.32Å; A90-M189 HydrophobicContact CB-CE 4.4Å; A90-M189 HydrophobicContact CB-SD 3.49Å; A90-M189 WeakPolarHBondContact CB-SD 3.35Å; V185-M189 HydrophobicContact CG1-CG 4.44Å; V185-M189 HydrophobicContact CG1-SD 4.03Å; V185-M189 VanDerWaalsContact O-CG 3.3Å; V185-M189 WeakPolarHBondContact O-CG 3.37Å; V185-M189 PolarHBondContact O-N 2.95Å; T186-M189 PolarHBondContact O-N 3.21Å; M189-C191 PolarHBondContact O-N 3.1Å; M189-K192 WeakPolarHBondContact O-CB 3.47Å; M189-K192 PolarHBondContact O-N 3.21Å; M189-K192 VanDerWaalsContact O-N 3.08Å
190M98.6Very high98.1Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-57.5-33.5175.1-178-165.470.300111.7F114 L158 L161 T162 I165 T186 A187 K192 L193 L194F114-M190 HydrophobicContact CE2-SD 4.49Å; F114-M190 HydrophobicContact CZ-SD 4.46Å; L158-M190 HydrophobicContact CD1-CB 3.95Å; L158-M190 HydrophobicContact CD1-CG 4.31Å; L158-M190 HydrophobicContact CD1-SD 3.84Å; L161-M190 HydrophobicContact CD2-CE 4.12Å; T162-M190 HydrophobicContact CG2-SD 3.88Å; I165-M190 HydrophobicContact CD1-CE 3.7Å; T186-M190 WeakPolarHBondContact O-CB 3.26Å; T186-M190 PolarHBondContact O-N 2.91Å; A187-M190 PolarHBondContact O-N 3.06Å; M190-K192 PolarHBondContact O-N 3.23Å; M190-L193 WeakPolarHBondContact O-CB 3.19Å; M190-L193 PolarHBondContact O-N 2.94Å; M190-L194 PolarHBondContact O-N 3.26Å
191C98.6Very high98.1Very high1 Ų134 Ų341%0.00718%0.179CC..Hα-helixtrans-58.4-32.3178.1-63.10000112.9Y13 F18 A187 W188 M189 L193 L194 V206Y13-C191 HydrophobicContact CD1-CB 4.26Å; Y13-C191 HydrophobicContact CD2-CB 3.79Å; Y13-C191 HydrophobicContact CE2-CB 4.36Å; Y13-C191 HydrophobicContact CG-CB 3.71Å; F18-C191 HydrophobicContact CE1-CB 3.88Å; F18-C191 HydrophobicContact CZ-CB 3.81Å; A187-C191 PolarHBondContact O-N 2.81Å; A187-C191 PolarHBondContact O-SG 3.03Å; W188-C191 VanDerWaalsContact O-CB 3.29Å; W188-C191 WeakPolarHBondContact O-CB 3.17Å; W188-C191 PolarHBondContact O-N 3.32Å; M189-C191 PolarHBondContact O-N 3.1Å; C191-L193 PolarHBondContact O-N 2.8Å; C191-L194 HydrophobicContact CB-CD1 4.34Å; C191-L194 WeakPolarHBondContact O-CB 3.46Å; C191-L194 PolarHBondContact O-N 3.05Å; C191-V206 VanDerWaalsContact SG-CG2 3.51Å
192K97.3Very high98.2Very high103 Ų10331.8 Ų31.845%0.44817%0.169SC..Hα-helixtrans-67.1-26.5176.6-56.8177.9-175.8178.10112.5F18 W188 M189 M190F18-K192 HydrophobicContact CE2-CG 4.07Å; F18-K192 HydrophobicContact CZ-CG 3.63Å; W188-K192 VanDerWaalsContact CH2-CE 3.43Å; M189-K192 WeakPolarHBondContact O-CB 3.47Å; M189-K192 PolarHBondContact O-N 3.21Å; M189-K192 VanDerWaalsContact O-N 3.08Å; M190-K192 PolarHBondContact O-N 3.23Å
193L98.6Very high98.3Very high12 Ų1229.3 Ų29.36%0.06316%0.157CC..Hα-helixtrans-84.5-16.3-179.1-49.9-179000112.3L76 L79 I80 M190 C191 E196 A197L76-L193 HydrophobicContact CD1-CB 3.87Å; L79-L193 HydrophobicContact CB-CB 4.27Å; L79-L193 HydrophobicContact CB-CD1 4.27Å; L79-L193 HydrophobicContact CB-CD2 4.42Å; L79-L193 HydrophobicContact CD1-CB 4.43Å; I80-L193 HydrophobicContact CG1-CD1 4.01Å; M190-L193 WeakPolarHBondContact O-CB 3.19Å; M190-L193 PolarHBondContact O-N 2.94Å; C191-L193 PolarHBondContact O-N 2.8Å; L193-E196 PolarHBondContact O-N 3.12Å; L193-A197 VanDerWaalsContact O-CB 3.24Å; L193-A197 WeakPolarHBondContact O-CB 3.25Å; L193-A197 PolarHBondContact O-N 2.99Å
194L98.6Very high98.3Very high0 Ų029.3 Ų29.30%016%0.157CC..Hα-helixtrans-64.7-46.6-175.1-66.3173.6000112.1Y13 L76 M190 C191 A197 G198 V199 V204Y13-L194 HydrophobicContact CD1-CD1 3.83Å; Y13-L194 HydrophobicContact CE1-CB 4.35Å; Y13-L194 HydrophobicContact CE1-CD1 3.47Å; Y13-L194 VanDerWaalsContact CE1-CD1 3.47Å; L76-L194 HydrophobicContact CD1-CD2 4.4Å; L76-L194 HydrophobicContact CD2-CD2 4.01Å; M190-L194 PolarHBondContact O-N 3.26Å; C191-L194 HydrophobicContact CB-CD1 4.34Å; C191-L194 WeakPolarHBondContact O-CB 3.46Å; C191-L194 PolarHBondContact O-N 3.05Å; L194-A197 PolarHBondContact O-N 2.87Å; L194-G198 PolarHBondContact O-N 2.7Å; L194-V199 HydrophobicContact CB-CB 4.13Å; L194-V199 HydrophobicContact CB-CG2 4.29Å; L194-V199 HydrophobicContact CD2-CB 4.48Å; L194-V199 HydrophobicContact CD2-CG2 3.96Å; L194-V199 VanDerWaalsContact O-CB 3.27Å; L194-V199 WeakPolarHBondContact O-CB 3.17Å; L194-V199 WeakPolarHBondContact O-CG2 3.35Å; L194-V199 PolarHBondContact O-N 2.96Å; L194-V204 HydrophobicContact CD1-CB 3.97Å; L194-V204 HydrophobicContact CD1-CG1 3.79Å; L194-V204 HydrophobicContact CD2-CB 4.36Å; L194-V204 HydrophobicContact CD2-CG1 4.37Å; L194-V204 HydrophobicContact CD2-CG2 4.46Å
195E95.3Very high98.4Very high151 Ų15129.3 Ų29.371%0.70616%0.157SC*.Hα-helixtrans-64.3-45.8178.4-177.4176-167.400111A197 G198E195-A197 VanDerWaalsContact C-N 3.28Å; E195-A197 PolarHBondContact O-N 3.38Å; E195-G198 WeakPolarHBondContact O-CA 3.39Å; E195-G198 PolarHBondContact O-N 3.2Å
196E97.5Very high98.4Very high113 Ų11329.3 Ų29.353%0.52816%0.157SC..Hα-helixtrans-63-35.7178.1-170.8177174.800111.9K75 L79 L193 G198K75-E196 WeakPolarHBondContact CE-O 3.37Å; K75-E196 PolarHBondContact NZ-O 3.45Å; L79-E196 HydrophobicContact CD1-CB 3.85Å; L79-E196 HydrophobicContact CD1-CG 3.86Å; L79-E196 VanDerWaalsContact CD2-CD 3.42Å; L79-E196 HydrophobicContact CD2-CG 4Å; L79-E196 WeakPolarHBondContact CD2-OE1 3.32Å; L193-E196 PolarHBondContact O-N 3.12Å; E196-G198 PolarHBondContact O-N 3.21Å
197A98.2Very high98.4Very high2 Ų229.4 Ų29.42%0.01716%0.158CC..THydrogen-bonded Turntrans-67.3-13.9173.100000113.5L76 L79 L193 L194 E195 V199L76-A197 HydrophobicContact CB-CB 3.78Å; L76-A197 HydrophobicContact CD1-CB 4.03Å; L76-A197 HydrophobicContact CG-CB 4.45Å; L79-A197 HydrophobicContact CD1-CB 3.89Å; L193-A197 VanDerWaalsContact O-CB 3.24Å; L193-A197 WeakPolarHBondContact O-CB 3.25Å; L193-A197 PolarHBondContact O-N 2.99Å; L194-A197 PolarHBondContact O-N 2.87Å; E195-A197 VanDerWaalsContact C-N 3.28Å; E195-A197 PolarHBondContact O-N 3.38Å; A197-V199 HydrophobicContact CB-CG2 4.28Å
198G98.1Very high98.4Very high38 Ų3829.3 Ų29.339%0.39216%0.157SC..THydrogen-bonded Turntrans81.922.6-175.900000113.7L194 E195 E196 P200L194-G198 PolarHBondContact O-N 2.7Å; E195-G198 WeakPolarHBondContact O-CA 3.39Å; E195-G198 PolarHBondContact O-N 3.2Å; E196-G198 PolarHBondContact O-N 3.21Å; G198-P200 VanDerWaalsContact O-CD 3.31Å; G198-P200 WeakPolarHBondContact O-CD 3.42Å
199V98.6Very high98.3Very high10 Ų1028 Ų286%0.06115%0.152CC..PPolyproline II helixtrans-67.6120.3170.7179.70000108.2V72 L194 A197 V203 V204V72-V199 HydrophobicContact CG1-CB 4.46Å; V72-V199 HydrophobicContact CG1-CG2 3.58Å; L194-V199 HydrophobicContact CB-CB 4.13Å; L194-V199 HydrophobicContact CB-CG2 4.29Å; L194-V199 HydrophobicContact CD2-CB 4.48Å; L194-V199 HydrophobicContact CD2-CG2 3.96Å; L194-V199 VanDerWaalsContact O-CB 3.27Å; L194-V199 WeakPolarHBondContact O-CB 3.17Å; L194-V199 WeakPolarHBondContact O-CG2 3.35Å; L194-V199 PolarHBondContact O-N 2.96Å; A197-V199 HydrophobicContact CB-CG2 4.28Å; V199-V203 HydrophobicContact CG1-CB 3.86Å; V199-V203 HydrophobicContact CG1-CG1 4.09Å; V199-V204 HydrophobicContact CG1-CB 4.35Å; V199-V204 HydrophobicContact CG1-CG2 4.05Å
200P98.7Very high98.3Very high22 Ų2227.6 Ų27.614%0.14315%0.152CC..PPolyproline II helixtrans-63.3147.8-179.5-21.833.1000112.2W61 R64 G198 G202 V203W61-P200 HydrophobicContact CE3-CG 3.95Å; W61-P200 HydrophobicContact CZ3-CG 4.21Å; R64-P200 VanDerWaalsContact CZ-CG 3.44Å; G198-P200 VanDerWaalsContact O-CD 3.31Å; G198-P200 WeakPolarHBondContact O-CD 3.42Å; P200-G202 PolarHBondContact O-N 3.07Å; P200-V203 HydrophobicContact CB-CG2 3.82Å; P200-V203 HydrophobicContact CG-CG2 4.01Å; P200-V203 WeakPolarHBondContact O-CB 3.28Å; P200-V203 PolarHBondContact O-N 3.34Å
201P98.8Very high98.2Very high95 Ų9529.3 Ų29.362%0.61717%0.169SC*.THydrogen-bonded Turntrans-49.5130.2174.5-29.336.7000111.9A57 V203A57-P201 WeakPolarHBondContact CB-O 3.36Å; P201-V203 VanDerWaalsContact C-N 3.32Å; P201-V203 PolarHBondContact O-N 3.15Å
202G98.7Very high98.2Very high2 Ų236 Ų362%0.02120%0.201CC..THydrogen-bonded Turntrans85.1-11.9179.300000115.4A54 P200 N205A54-G202 VanDerWaalsContact CA-O 3.29Å; A54-G202 WeakPolarHBondContact CA-O 3.3Å; P200-G202 PolarHBondContact O-N 3.07Å; G202-N205 PolarHBondContact O-ND2 3.26Å
203V98.9Very high98.2Very high0 Ų036 Ų360%020%0.198CC..THydrogen-bonded Turntrans-67.5-38.7177.1172.50000111.8A57 W61 I169 T174 V175 V199 P200 P201A57-V203 HydrophobicContact CB-CG2 4.04Å; W61-V203 HydrophobicContact CB-CG2 3.74Å; W61-V203 HydrophobicContact CD2-CG1 3.81Å; W61-V203 HydrophobicContact CD2-CG2 3.96Å; W61-V203 HydrophobicContact CE3-CG1 4.44Å; W61-V203 HydrophobicContact CE3-CG2 4.19Å; W61-V203 HydrophobicContact CG-CG1 3.88Å; W61-V203 HydrophobicContact CG-CG2 3.74Å; W61-V203 HydrophobicContact CZ2-CG1 4.35Å; I169-V203 HydrophobicContact CG2-CG1 3.95Å; T174-V203 CarbonylContact C-O 3.46Å; T174-V203 WeakPolarHBondContact CA-O 3.35Å; T174-V203 HydrophobicContact CG2-CB 4.49Å; T174-V203 HydrophobicContact CG2-CG2 4.27Å; V175-V203 PolarHBondContact N-O 2.89Å; V199-V203 HydrophobicContact CG1-CB 3.86Å; V199-V203 HydrophobicContact CG1-CG1 4.09Å; P200-V203 HydrophobicContact CB-CG2 3.82Å; P200-V203 HydrophobicContact CG-CG2 4.01Å; P200-V203 WeakPolarHBondContact O-CB 3.28Å; P200-V203 PolarHBondContact O-N 3.34Å; P201-V203 VanDerWaalsContact C-N 3.32Å; P201-V203 PolarHBondContact O-N 3.15Å
204V98.9Very high98.2Very high1 Ų135.5 Ų35.51%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-124.6121.5171.5178.60000108.3I165 I169 L194 V199 V206I165-V204 HydrophobicContact CD1-CG1 4.36Å; I165-V204 HydrophobicContact CG2-CG2 4.16Å; I169-V204 HydrophobicContact CG2-CG2 3.9Å; L194-V204 HydrophobicContact CD1-CB 3.97Å; L194-V204 HydrophobicContact CD1-CG1 3.79Å; L194-V204 HydrophobicContact CD2-CB 4.36Å; L194-V204 HydrophobicContact CD2-CG1 4.37Å; L194-V204 HydrophobicContact CD2-CG2 4.46Å; V199-V204 HydrophobicContact CG1-CB 4.35Å; V199-V204 HydrophobicContact CG1-CG2 4.05Å; V204-V206 HydrophobicContact CG1-CG2 4.3Å
205N98.9Very high98.2Very high0 Ų035.8 Ų35.80%020%0.198CC..EExtended strand (participates in β ladder)trans-120.3138.8173-49.9-90.5000108.2Y13 G15 A50 V175 V176 A177 G202Y13-N205 CarbonylContact O-C 3.5Å; Y13-N205 WeakPolarHBondContact O-CA 3.45Å; G15-N205 PolarHBondContact N-OD1 3.39Å; A50-N205 HydrophobicContact CB-CB 3.87Å; V175-N205 PolarHBondContact O-N 3.09Å; V175-N205 PolarHBondContact O-ND2 2.9Å; V176-N205 WeakPolarHBondContact CA-O 3.13Å; V176-N205 HydrophobicContact CG2-CB 4.39Å; A177-N205 PolarHBondContact N-O 3.33Å; G202-N205 PolarHBondContact O-ND2 3.26Å
206V98.9Very high98.3Very high0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-124.3117.6179-1730000108.8Y13 A177 P179 C191 V204 F208Y13-V206 PolarHBondContact N-O 2.85Å; Y13-V206 PolarHBondContact O-N 3.14Å; A177-V206 HydrophobicContact CB-CG2 4.5Å; A177-V206 WeakPolarHBondContact O-CA 3.18Å; P179-V206 HydrophobicContact CG-CG1 4.14Å; C191-V206 VanDerWaalsContact SG-CG2 3.51Å; V204-V206 HydrophobicContact CG1-CG2 4.3Å; V206-F208 HydrophobicContact CG1-CE1 3.96Å; V206-F208 HydrophobicContact CG1-CE2 3.95Å; V206-F208 HydrophobicContact CG1-CZ 3.59Å
207V98.8Very high98.3Very high2 Ų227.1 Ų27.11%0.01216%0.163CC..  trans-113.7125.4178.1-178.40000108.6N12 I14 E46 V47 A50 V176 A177 K178 A214N12-V207 WeakPolarHBondContact OD1-CA 3.46Å; I14-V207 HydrophobicContact CD1-CG2 4.37Å; I14-V207 HydrophobicContact CG1-CG2 4.42Å; E46-V207 HydrophobicContact CB-CG1 4.12Å; V47-V207 HydrophobicContact CG2-CG1 4.1Å; A50-V207 HydrophobicContact CB-CG2 3.57Å; V176-V207 HydrophobicContact CG1-CG2 4.24Å; A177-V207 PolarHBondContact O-N 2.69Å; K178-V207 WeakPolarHBondContact CA-O 3.39Å; V207-A214 HydrophobicContact CG1-CB 4.3Å
208F98.6Very high98.4Very high0 Ų027 Ų270%016%0.162CC..  trans-97.4148.4178.4-55.5-84.4000111E11 N12 V39 P40 S42 P179 S184 A187 W188 V206E11-F208 VanDerWaalsContact O-CE2 3.22Å; E11-F208 WeakPolarHBondContact O-CE2 3.44Å; N12-F208 PolarHBondContact OD1-N 3.29Å; V39-F208 HydrophobicContact CG1-CB 3.61Å; V39-F208 HydrophobicContact CG1-CD1 4.21Å; V39-F208 HydrophobicContact CG1-CG 4.13Å; P40-F208 HydrophobicContact CB-CB 4.08Å; P40-F208 HydrophobicContact CG-CB 4.21Å; P40-F208 HydrophobicContact CG-CD2 4.28Å; P40-F208 CarbonylContact O-C 3.58Å; P40-F208 VanDerWaalsContact O-O 3.12Å; S42-F208 WeakPolarHBondContact CB-O 3.47Å; S42-F208 PolarHBondContact N-O 3.33Å; S42-F208 VanDerWaalsContact N-O 3.11Å; S42-F208 PolarHBondContact OG-O 3.24Å; P179-F208 HydrophobicContact CG-CD1 3.63Å; P179-F208 HydrophobicContact CG-CE1 3.48Å; P179-F208 VanDerWaalsContact CG-CE1 3.48Å; S184-F208 WeakPolarHBondContact OG-CD1 3.46Å; A187-F208 HydrophobicContact CB-CE1 4.25Å; W188-F208 HydrophobicContact CB-CE1 4.5Å; W188-F208 HydrophobicContact CB-CE2 4.45Å; W188-F208 HydrophobicContact CB-CZ 3.79Å; V206-F208 HydrophobicContact CG1-CE1 3.96Å; V206-F208 HydrophobicContact CG1-CE2 3.95Å; V206-F208 HydrophobicContact CG1-CZ 3.59Å
209G97.9Very high98.4Very high0 Ų025.4 Ų25.40%015%0.145CC..  trans157.2-175.9174.200000112.7P40 K178P40-G209 VanDerWaalsContact O-CA 3.24Å; P40-G209 WeakPolarHBondContact O-CA 3.47Å; P40-G209 PolarHBondContact O-N 2.9Å; K178-G209 WeakPolarHBondContact CE-O 3.43Å; K178-G209 PolarHBondContact NZ-O 2.91Å
210T97.9Very high98.4Very high27 Ų2725.9 Ų25.917%0.16615%0.152CC..  trans-73.5159.7177.854.40000112.8I25 D41 Q212 R213 A214 G215I25-T210 HydrophobicContact CD1-CG2 4.04Å; D41-T210 PolarHBondContact OD1-N 2.85Å; D41-T210 VanDerWaalsContact OD1-N 3.11Å; D41-T210 PolarHBondContact OD1-OG1 2.92Å; T210-Q212 PolarHBondContact O-N 2.76Å; T210-R213 PolarHBondContact O-N 3.43Å; T210-R213 WeakPolarHBondContact OG1-CG 3.31Å; T210-A214 PolarHBondContact O-N 2.85Å; T210-A214 VanDerWaalsContact O-N 3.12Å; T210-G215 PolarHBondContact O-N 3Å
211G97.4Very high98.4Very high36 Ų3625.7 Ų25.737%0.37115%0.149SC..Iπ-helixtrans-59.1-34.6173.500000113.4G215 D216G211-G215 CarbonylContact O-C 3.5Å; G211-G215 WeakPolarHBondContact O-CA 3.2Å; G211-G215 PolarHBondContact O-N 2.77Å; G211-D216 PolarHBondContact O-N 2.81Å
212Q96.8Very high98.4Very high142 Ų14224.9 Ų24.966%0.66414%0.144SC*.Iπ-helixtrans-74.2-25.7-178.6-66.780.2-8.100113T210T210-Q212 PolarHBondContact O-N 2.76Å
213R97.6Very high98.4Very high103 Ų10328 Ų2839%0.38916%0.16SC..Iπ-helixtrans-100.7-79-178.6-66.2172.558.599.81.9110.8D41 S42 T210 A217D41-R213 PolarHBondContact O-NE 2.82Å; D41-R213 VanDerWaalsContact O-NE 3.13Å; D41-R213 PolarHBondContact O-NH2 2.95Å; D41-R213 VanDerWaalsContact O-NH2 3.08Å; D41-R213 WeakPolarHBondContact OD1-CD 3.44Å; D41-R213 IonicContact OD1-NE 3.54Å; D41-R213 WeakPolarHBondContact OD2-CD 3.24Å; D41-R213 IonicContact OD2-CZ 3.01Å; D41-R213 IonicContact OD2-NE 3.88Å; D41-R213 PolarHBondContact OD2-NE 3.31Å; S42-R213 VanDerWaalsContact O-CB 3.32Å; S42-R213 WeakPolarHBondContact O-CB 3.45Å; T210-R213 PolarHBondContact O-N 3.43Å; T210-R213 WeakPolarHBondContact OG1-CG 3.31Å; R213-A217 VanDerWaalsContact O-CB 3.25Å; R213-A217 WeakPolarHBondContact O-CB 3.11Å; R213-A217 PolarHBondContact O-N 3.33Å
214A98.3Very high98.4Very high1 Ų128 Ų281%0.00816%0.16CC..Iπ-helixtrans-65.5-40-179.400000112.3S42 V47 K178 V207 T210 L218S42-A214 PolarHBondContact O-N 2.9Å; V47-A214 HydrophobicContact CG2-CB 4.35Å; K178-A214 HydrophobicContact CG-CB 4.18Å; V207-A214 HydrophobicContact CG1-CB 4.3Å; T210-A214 PolarHBondContact O-N 2.85Å; T210-A214 VanDerWaalsContact O-N 3.12Å; A214-L218 WeakPolarHBondContact O-CB 3.42Å; A214-L218 PolarHBondContact O-N 2.85Å
215G98.4Very high98.3Very high6 Ų630 Ų306%0.06217%0.173CC..Iπ-helixtrans-64.4-54.5-179.700000113.7T210 G211 A217 L218 V219T210-G215 PolarHBondContact O-N 3Å; G211-G215 CarbonylContact O-C 3.5Å; G211-G215 WeakPolarHBondContact O-CA 3.2Å; G211-G215 PolarHBondContact O-N 2.77Å; G215-A217 VanDerWaalsContact C-N 3.31Å; G215-A217 PolarHBondContact O-N 2.85Å; G215-L218 PolarHBondContact O-N 2.73Å; G215-V219 VanDerWaalsContact O-CG2 3.24Å; G215-V219 WeakPolarHBondContact O-CG2 3.17Å; G215-V219 PolarHBondContact O-N 2.68Å
216D98.2Very high98.3Very high62 Ų6230 Ų3033%0.33217%0.173SC..Hα-helixtrans-61.6-40.1179-166.761.4000111.2G211 L218 V219 G220 R242G211-D216 PolarHBondContact O-N 2.81Å; D216-L218 PolarHBondContact O-N 3.35Å; D216-V219 PolarHBondContact O-N 2.67Å; D216-G220 PolarHBondContact O-N 3.2Å; D216-R242 IonicContact OD1-CZ 3.59Å; D216-R242 IonicContact OD1-NE 3.56Å; D216-R242 PolarHBondContact OD1-NE 2.99Å; D216-R242 IonicContact OD1-NH2 2.75Å; D216-R242 IonicContact OD2-CZ 2.69Å; D216-R242 IonicContact OD2-NE 3.5Å; D216-R242 IonicContact OD2-NH2 3.47Å; D216-R242 PolarHBondContact OD2-NH2 3.08Å
217A98.6Very high98.3Very high20 Ų2030 Ų3017%0.16517%0.173CC..Hα-helixtrans-60.1-45.9175.300000112.1K44 V47 R213 G215 H221K44-A217 HydrophobicContact CB-CB 4.22Å; V47-A217 HydrophobicContact CB-CB 4.14Å; V47-A217 HydrophobicContact CG1-CB 4.22Å; V47-A217 HydrophobicContact CG2-CB 4.08Å; R213-A217 VanDerWaalsContact O-CB 3.25Å; R213-A217 WeakPolarHBondContact O-CB 3.11Å; R213-A217 PolarHBondContact O-N 3.33Å; G215-A217 VanDerWaalsContact C-N 3.31Å; G215-A217 PolarHBondContact O-N 2.85Å; A217-H221 WeakPolarHBondContact O-CB 3.45Å; A217-H221 PolarHBondContact O-N 2.85Å; A217-H221 VanDerWaalsContact O-N 3.17Å
218L98.8Very high98.3Very high1 Ų130 Ų301%0.00517%0.173CC..Hα-helixtrans-66.2-45.3179.7179.559.6000111.9V47 I151 V176 K178 A214 G215 D216 G220 H221 V224V47-L218 HydrophobicContact CG1-CB 4.13Å; V47-L218 HydrophobicContact CG1-CD1 4.29Å; I151-L218 HydrophobicContact CG1-CD2 4.16Å; V176-L218 HydrophobicContact CB-CD1 3.89Å; V176-L218 HydrophobicContact CG1-CD1 3.77Å; V176-L218 HydrophobicContact CG1-CD2 4.38Å; K178-L218 HydrophobicContact CB-CD2 4.24Å; A214-L218 WeakPolarHBondContact O-CB 3.42Å; A214-L218 PolarHBondContact O-N 2.85Å; G215-L218 PolarHBondContact O-N 2.73Å; D216-L218 PolarHBondContact O-N 3.35Å; L218-G220 VanDerWaalsContact C-N 3.32Å; L218-G220 PolarHBondContact O-N 3.26Å; L218-H221 PolarHBondContact O-N 2.93Å; L218-V224 HydrophobicContact CD1-CG1 4.32Å; L218-V224 HydrophobicContact CD1-CG2 4.13Å
219V98.7Very high98.3Very high4 Ų430.5 Ų30.52%0.02418%0.175CC..Hα-helixtrans-66-36.9-179.7174.60000111.5I151 G215 D216 H221 I227 I239 R242 K248I151-V219 HydrophobicContact CD1-CG2 3.64Å; G215-V219 VanDerWaalsContact O-CG2 3.24Å; G215-V219 WeakPolarHBondContact O-CG2 3.17Å; G215-V219 PolarHBondContact O-N 2.68Å; D216-V219 PolarHBondContact O-N 2.67Å; V219-H221 VanDerWaalsContact C-N 3.35Å; V219-I227 HydrophobicContact CG2-CD1 4.45Å; V219-I227 HydrophobicContact CG2-CG2 4.37Å; V219-I239 HydrophobicContact CG1-CB 4.32Å; V219-I239 HydrophobicContact CG1-CG1 4.35Å; V219-I239 HydrophobicContact CG1-CG2 3.98Å; V219-I239 HydrophobicContact CG2-CD1 4.46Å; V219-I239 HydrophobicContact CG2-CG1 4Å; V219-I239 HydrophobicContact CG2-CG2 4.4Å; V219-R242 HydrophobicContact CG1-CB 3.72Å; V219-K248 WeakPolarHBondContact O-CE 3.45Å
220G98.3Very high98.3Very high20 Ų2031.2 Ų31.221%0.20618%0.18CC..THydrogen-bonded Turntrans-83.2-4.2179.400000114.9D216 L218 Y246D216-G220 PolarHBondContact O-N 3.2Å; L218-G220 VanDerWaalsContact C-N 3.32Å; L218-G220 PolarHBondContact O-N 3.26Å; G220-Y246 VanDerWaalsContact O-CE2 3.26Å; G220-Y246 WeakPolarHBondContact O-CE2 3.47Å; G220-Y246 PolarHBondContact O-OH 3.41Å
221H98.8Very high98.3Very high17 Ų1731.1 Ų31.18%0.07918%0.184CC..  trans-73.4125.3-171.7-164.8-70.9000111.7D48 V51 A217 L218 V219 D223 V224 K248D48-H221 IonicContact OD1-CD2 3.72Å; D48-H221 PolarHBondContact OD1-CD2 2.62Å; D48-H221 VanDerWaalsContact OD1-CD2 3.24Å; D48-H221 IonicContact OD1-NE2 3.65Å; D48-H221 PolarHBondContact OD1-NE2 3.02Å; V51-H221 VanDerWaalsContact CG1-CE1 3.44Å; V51-H221 WeakPolarHBondContact CG1-CE1 3.49Å; A217-H221 WeakPolarHBondContact O-CB 3.45Å; A217-H221 PolarHBondContact O-N 2.85Å; A217-H221 VanDerWaalsContact O-N 3.17Å; L218-H221 PolarHBondContact O-N 2.93Å; V219-H221 VanDerWaalsContact C-N 3.35Å; H221-D223 VanDerWaalsContact C-N 3.31Å; H221-D223 IonicContact CE1-OD2 2.75Å; H221-D223 PolarHBondContact ND1-N 3.17Å; H221-D223 VanDerWaalsContact ND1-N 3.15Å; H221-D223 PolarHBondContact O-N 2.81Å; H221-V224 HydrophobicContact CB-CB 4.34Å; H221-V224 HydrophobicContact CB-CG2 3.83Å; H221-V224 PolarHBondContact O-N 3.12Å; H221-K248 PolarHBondContact O-NZ 2.89Å
222P98.4Very high98.3Very high79 Ų7931.9 Ų31.951%0.51318%0.183SC..THydrogen-bonded Turntrans-61.4-35.3-174.122.4-33.5000113.6V224 Y246P222-V224 VanDerWaalsContact C-N 3.27Å; P222-V224 PolarHBondContact O-N 3.33Å; P222-Y246 HydrophobicContact CB-CD1 4.3Å; P222-Y246 HydrophobicContact CB-CE1 3.93Å
223D98.7Very high98.2Very high66 Ų6625.8 Ų25.835%0.35316%0.156SC..THydrogen-bonded Turntrans-82.18.4-179.4-64.1-56.8000115.7V51 K55 H221 P225V51-D223 HydrophobicContact CG1-CB 3.86Å; K55-D223 HydrophobicContact CD-CB 3.72Å; K55-D223 HydrophobicContact CG-CB 4.48Å; K55-D223 IonicContact NZ-OD1 2.63Å; K55-D223 PolarHBondContact NZ-OD1 3.47Å; K55-D223 IonicContact NZ-OD2 2.8Å; K55-D223 PolarHBondContact NZ-OD2 2.9Å; H221-D223 VanDerWaalsContact C-N 3.31Å; H221-D223 IonicContact CE1-OD2 2.75Å; H221-D223 PolarHBondContact ND1-N 3.17Å; H221-D223 VanDerWaalsContact ND1-N 3.15Å; H221-D223 PolarHBondContact O-N 2.81Å; D223-P225 VanDerWaalsContact C-CD 3.5Å; D223-P225 WeakPolarHBondContact O-CD 3.47Å
224V98.8Very high98.1Very high0 Ų023.6 Ų23.60%016%0.16CC..  trans-109.883.6179.2-178.50000109V51 V147 L218 H221 P222 L226 I227 K248V51-V224 HydrophobicContact CG1-CG2 4.13Å; V51-V224 HydrophobicContact CG2-CG2 3.62Å; V147-V224 HydrophobicContact CG1-CG2 4.15Å; L218-V224 HydrophobicContact CD1-CG1 4.32Å; L218-V224 HydrophobicContact CD1-CG2 4.13Å; H221-V224 HydrophobicContact CB-CB 4.34Å; H221-V224 HydrophobicContact CB-CG2 3.83Å; H221-V224 PolarHBondContact O-N 3.12Å; P222-V224 VanDerWaalsContact C-N 3.27Å; P222-V224 PolarHBondContact O-N 3.33Å; V224-L226 PolarHBondContact O-N 3.01Å; V224-I227 HydrophobicContact CG1-CD1 3.71Å; V224-K248 WeakPolarHBondContact O-CD 3.21Å; V224-K248 WeakPolarHBondContact O-CE 3.24Å; V224-K248 PolarHBondContact O-NZ 3.16Å
225P98.6Very high98Very high45 Ų4526.4 Ų26.429%0.29218%0.177SC..  trans-70.1-10.5-17126.9-37.6000115V145 V147 D223 K248 K249V145-P225 HydrophobicContact CG1-CB 3.92Å; V145-P225 HydrophobicContact CG1-CG 3.74Å; V147-P225 WeakPolarHBondContact O-CD 3.47Å; D223-P225 VanDerWaalsContact C-CD 3.5Å; D223-P225 WeakPolarHBondContact O-CD 3.47Å; P225-K248 CarbonylContact O-C 3.5Å; P225-K248 VanDerWaalsContact O-CA 3.23Å; P225-K248 WeakPolarHBondContact O-CA 3.19Å; P225-K248 WeakPolarHBondContact O-CB 3.15Å; P225-K249 PolarHBondContact O-N 3.49Å
226L97.9Very high98Very high0 Ų026.2 Ų26.20%018%0.175CC..EExtended strand (participates in β ladder)trans-138.9138-179.464111.6000112.4V145 A148 G149 V224 K249 F476 F477V145-L226 HydrophobicContact CB-CD2 3.39Å; V145-L226 HydrophobicContact CG1-CD2 3.56Å; V145-L226 HydrophobicContact CG2-CD2 4.04Å; A148-L226 HydrophobicContact CB-CD1 3.4Å; A148-L226 HydrophobicContact CB-CD2 4.45Å; A148-L226 HydrophobicContact CB-CG 4.12Å; G149-L226 PolarHBondContact N-O 3.24Å; V224-L226 PolarHBondContact O-N 3.01Å; L226-K249 WeakPolarHBondContact CA-O 3.37Å; L226-K249 HydrophobicContact CB-CB 4.1Å; L226-F476 HydrophobicContact CB-CE1 4.42Å; L226-F476 HydrophobicContact CB-CZ 3.95Å; L226-F476 HydrophobicContact CD1-CE1 3.71Å; L226-F476 HydrophobicContact CD1-CZ 4.06Å; L226-F477 HydrophobicContact CD1-CD1 3.65Å; L226-F477 HydrophobicContact CD1-CE1 3.56Å
227I98.8Very high97.9Very high0 Ų028.3 Ų28.30%018%0.183CC..EExtended strand (participates in β ladder)trans-123119.2176.1-58-64000109.4G149 V219 V224 F229 I239 K248 K249 L250 S251 F476G149-I227 VanDerWaalsContact O-CA 3.32Å; G149-I227 WeakPolarHBondContact O-CA 3.29Å; V219-I227 HydrophobicContact CG2-CD1 4.45Å; V219-I227 HydrophobicContact CG2-CG2 4.37Å; V224-I227 HydrophobicContact CG1-CD1 3.71Å; I227-F229 HydrophobicContact CG2-CB 4.47Å; I227-I239 HydrophobicContact CG2-CG2 3.94Å; I227-K248 HydrophobicContact CG1-CD 4.06Å; I227-K249 PolarHBondContact N-O 2.64Å; I227-L250 HydrophobicContact CB-CD2 3.84Å; I227-L250 HydrophobicContact CG1-CD2 4.43Å; I227-L250 WeakPolarHBondContact O-CA 3.36Å; I227-S251 PolarHBondContact O-N 3.25Å; I227-F476 WeakPolarHBondContact O-CZ 3.31Å
228S98.7Very high97.9Very high0 Ų035.4 Ų35.40%021%0.205CC..EExtended strand (participates in β ladder)trans-103.9119.3165.9179.80000109.3G149 I151 K164 S251 E468G149-S228 PolarHBondContact O-N 2.97Å; I151-S228 PolarHBondContact N-O 3.47Å; K164-S228 PolarHBondContact NZ-OG 3.43Å; S228-S251 CarbonylContact C-O 3.56Å; S228-S251 WeakPolarHBondContact CA-O 3.25Å; S228-E468 PolarHBondContact OG-OE1 3.13Å
229F98.8Very high97.9Very high12 Ų1235.8 Ų35.85%0.05321%0.207CC..EExtended strand (participates in β ladder)trans-126.3136.5-177170-100000110.3I151 I227 T235 A236 I239 S251 L252 E253 L254I151-F229 HydrophobicContact CB-CD2 3.85Å; I151-F229 HydrophobicContact CG2-CD2 3.65Å; I151-F229 HydrophobicContact CG2-CE2 3.99Å; I151-F229 WeakPolarHBondContact O-CA 3.3Å; I227-F229 HydrophobicContact CG2-CB 4.47Å; F229-T235 HydrophobicContact CE1-CG2 4.29Å; F229-T235 HydrophobicContact CE2-CG2 3.7Å; F229-T235 HydrophobicContact CZ-CG2 3.5Å; F229-T235 VanDerWaalsContact CZ-CG2 3.5Å; F229-A236 HydrophobicContact CD1-CB 4.12Å; F229-A236 HydrophobicContact CE1-CB 4.02Å; F229-I239 HydrophobicContact CB-CD1 3.73Å; F229-I239 HydrophobicContact CD1-CD1 3.82Å; F229-I239 HydrophobicContact CD2-CD1 3.34Å; F229-I239 HydrophobicContact CE1-CD1 4.27Å; F229-I239 HydrophobicContact CE2-CD1 3.85Å; F229-I239 HydrophobicContact CG-CD1 3.33Å; F229-I239 HydrophobicContact CZ-CD1 4.29Å; F229-S251 PolarHBondContact N-O 2.69Å; F229-L252 HydrophobicContact CB-CD2 3.94Å; F229-L252 HydrophobicContact CD1-CD2 4.34Å; F229-L252 WeakPolarHBondContact O-CA 2.7Å; F229-E253 PolarHBondContact O-N 2.84Å; F229-L254 HydrophobicContact CD1-CD2 3.95Å; F229-L254 HydrophobicContact CE1-CD2 3.79Å
230T98.6Very high97.9Very high15 Ų1538.5 Ų38.59%0.09222%0.224CC..EExtended strand (participates in β ladder)trans-123.1129164.9-57.90000109.8I151 P153 L160 K164 E253I151-T230 PolarHBondContact O-N 2.94Å; I151-T230 VanDerWaalsContact O-N 3.12Å; P153-T230 WeakPolarHBondContact CD-O 3.2Å; P153-T230 HydrophobicContact CG-CG2 3.84Å; L160-T230 HydrophobicContact CD1-CG2 4.47Å; K164-T230 WeakPolarHBondContact CE-OG1 3.34Å; K164-T230 PolarHBondContact NZ-OG1 3.12Å; T230-E253 CarbonylContact C-O 3.58Å; T230-E253 WeakPolarHBondContact CA-O 3.29Å; T230-E253 HydrophobicContact CG2-CB 3.97Å; T230-E253 WeakPolarHBondContact CG2-O 3.35Å; T230-E253 WeakPolarHBondContact OG1-CB 3.38Å
231G97.5Very high97.8Very high24 Ų2444.1 Ų44.125%0.24725%0.245CC..EExtended strand (participates in β ladder)trans159.1-145.9179.800000114.1E253 L254G231-E253 PolarHBondContact N-O 2.86Å; G231-L254 WeakPolarHBondContact O-CA 3.2Å; G231-L254 WeakPolarHBondContact O-CD2 3.3Å
232S96.4Very high97.8Very high52 Ų5249.6 Ų49.636%0.36427%0.265SS..  trans-73.6147.3-172.490.80000113.2A234 T235 A236S232-A234 VanDerWaalsContact C-N 3.27Å; S232-A234 PolarHBondContact O-N 3.11Å; S232-T235 PolarHBondContact O-N 3.4Å; S232-T235 WeakPolarHBondContact OG-CB 3.39Å; S232-T235 PolarHBondContact OG-N 3.28Å; S232-T235 PolarHBondContact OG-OG1 2.94Å; S232-A236 PolarHBondContact O-N 3.07Å
233T95.1Very high97.7Very high15 Ų1546 Ų469%0.09224%0.241CC..Hα-helixtrans-58.8-37.3174.2-49.80000112.5A236 Q237 L254 H462T233-A236 PolarHBondContact O-N 3.2Å; T233-Q237 WeakPolarHBondContact O-CG 3.36Å; T233-Q237 PolarHBondContact O-N 2.89Å; T233-L254 HydrophobicContact CG2-CD1 4.36Å; T233-H462 HydrophobicContact CG2-CB 4.41Å
234A95.3Very high97.7Very high56 Ų5646 Ų4646%0.46325%0.25SS..Hα-helixtrans-65.9-39.917900000112S232 R238S232-A234 VanDerWaalsContact C-N 3.27Å; S232-A234 PolarHBondContact O-N 3.11Å; A234-R238 PolarHBondContact O-N 2.82Å
235T97.6Very high97.6Very high60 Ų6050.9 Ų50.937%0.36828%0.282SS..Hα-helixtrans-66.2-41.3174.3-53.80000110.9F229 S232 Q237 R238 I239F229-T235 HydrophobicContact CE1-CG2 4.29Å; F229-T235 HydrophobicContact CE2-CG2 3.7Å; F229-T235 HydrophobicContact CZ-CG2 3.5Å; F229-T235 VanDerWaalsContact CZ-CG2 3.5Å; S232-T235 PolarHBondContact O-N 3.4Å; S232-T235 WeakPolarHBondContact OG-CB 3.39Å; S232-T235 PolarHBondContact OG-N 3.28Å; S232-T235 PolarHBondContact OG-OG1 2.94Å; T235-Q237 VanDerWaalsContact C-N 3.33Å; T235-Q237 PolarHBondContact O-N 2.66Å; T235-R238 WeakPolarHBondContact O-CB 3.42Å; T235-R238 PolarHBondContact O-N 3.3Å; T235-I239 HydrophobicContact CG2-CD1 4.04Å; T235-I239 HydrophobicContact CG2-CG1 4.41Å; T235-I239 WeakPolarHBondContact O-CG1 3.23Å; T235-I239 PolarHBondContact O-N 3.35Å
236A97.7Very high97.6Very high3 Ų354 Ų543%0.02529%0.289CS..Hα-helixtrans-63.9-35.3179.300000113.7F229 S232 T233 I239 T240 L252 L254F229-A236 HydrophobicContact CD1-CB 4.12Å; F229-A236 HydrophobicContact CE1-CB 4.02Å; S232-A236 PolarHBondContact O-N 3.07Å; T233-A236 PolarHBondContact O-N 3.2Å; A236-I239 PolarHBondContact O-N 3.25Å; A236-T240 WeakPolarHBondContact O-CB 3.48Å; A236-T240 PolarHBondContact O-N 3.44Å; A236-T240 PolarHBondContact O-OG1 3.12Å; A236-L252 HydrophobicContact CB-CD1 4.3Å; A236-L254 HydrophobicContact CB-CD1 3.72Å; A236-L254 HydrophobicContact CB-CD2 3.36Å; A236-L254 HydrophobicContact CB-CG 4.19Å
237Q96.9Very high97.5Very high106 Ų10659.7 Ų59.750%0.49533%0.327SS..Hα-helixtrans-60-49.2171.4-73.7173.4-2700111T233 T235 I239 T240 E241T233-Q237 WeakPolarHBondContact O-CG 3.36Å; T233-Q237 PolarHBondContact O-N 2.89Å; T235-Q237 VanDerWaalsContact C-N 3.33Å; T235-Q237 PolarHBondContact O-N 2.66Å; Q237-I239 VanDerWaalsContact C-N 3.32Å; Q237-I239 PolarHBondContact O-N 3.39Å; Q237-T240 WeakPolarHBondContact O-CB 3.07Å; Q237-T240 PolarHBondContact O-N 2.96Å; Q237-T240 VanDerWaalsContact O-N 3.11Å; Q237-E241 WeakPolarHBondContact O-CG 3.35Å; Q237-E241 PolarHBondContact O-N 3.31Å
238R97.6Very high97.5Very high168 Ų16860.6 Ų60.663%0.63433%0.331SS*.Hα-helixtrans-60.2-41.2175.9-64.7177.6-178.7-161.8-0.1112.3A234 T235 T240 E241 R242A234-R238 PolarHBondContact O-N 2.82Å; T235-R238 WeakPolarHBondContact O-CB 3.42Å; T235-R238 PolarHBondContact O-N 3.3Å; R238-T240 VanDerWaalsContact C-N 3.31Å; R238-T240 PolarHBondContact O-N 2.86Å; R238-E241 PolarHBondContact O-N 3.19Å; R238-R242 WeakPolarHBondContact O-CB 3.36Å; R238-R242 WeakPolarHBondContact O-CG 3.4Å; R238-R242 PolarHBondContact O-N 2.95Å
239I98.4Very high97.5Very high10 Ų1062.9 Ų62.95%0.05134%0.341CS..Hα-helixtrans-60.5-44.2175.7-71.5172.8000110.5V219 I227 F229 T235 A236 Q237 R242 S243 L250 L252V219-I239 HydrophobicContact CG1-CB 4.32Å; V219-I239 HydrophobicContact CG1-CG1 4.35Å; V219-I239 HydrophobicContact CG1-CG2 3.98Å; V219-I239 HydrophobicContact CG2-CD1 4.46Å; V219-I239 HydrophobicContact CG2-CG1 4Å; V219-I239 HydrophobicContact CG2-CG2 4.4Å; I227-I239 HydrophobicContact CG2-CG2 3.94Å; F229-I239 HydrophobicContact CB-CD1 3.73Å; F229-I239 HydrophobicContact CD1-CD1 3.82Å; F229-I239 HydrophobicContact CD2-CD1 3.34Å; F229-I239 HydrophobicContact CE1-CD1 4.27Å; F229-I239 HydrophobicContact CE2-CD1 3.85Å; F229-I239 HydrophobicContact CG-CD1 3.33Å; F229-I239 HydrophobicContact CZ-CD1 4.29Å; T235-I239 HydrophobicContact CG2-CD1 4.04Å; T235-I239 HydrophobicContact CG2-CG1 4.41Å; T235-I239 WeakPolarHBondContact O-CG1 3.23Å; T235-I239 PolarHBondContact O-N 3.35Å; A236-I239 PolarHBondContact O-N 3.25Å; Q237-I239 VanDerWaalsContact C-N 3.32Å; Q237-I239 PolarHBondContact O-N 3.39Å; I239-R242 PolarHBondContact O-N 3.27Å; I239-S243 WeakPolarHBondContact O-CB 3.32Å; I239-S243 PolarHBondContact O-N 3.28Å; I239-S243 PolarHBondContact O-OG 3.13Å; I239-L250 HydrophobicContact CG2-CD2 4.15Å; I239-L252 HydrophobicContact CG2-CD2 4.32Å
240T98Very high97.4Very high61 Ų6164 Ų6437%0.37435%0.347SS..Hα-helixtrans-62.1-48.1179.2-56.30000111A236 Q237 R238 R242 S243 A244 L250A236-T240 WeakPolarHBondContact O-CB 3.48Å; A236-T240 PolarHBondContact O-N 3.44Å; A236-T240 PolarHBondContact O-OG1 3.12Å; Q237-T240 WeakPolarHBondContact O-CB 3.07Å; Q237-T240 PolarHBondContact O-N 2.96Å; Q237-T240 VanDerWaalsContact O-N 3.11Å; R238-T240 VanDerWaalsContact C-N 3.31Å; R238-T240 PolarHBondContact O-N 2.86Å; T240-R242 PolarHBondContact O-N 2.86Å; T240-S243 PolarHBondContact O-N 3.12Å; T240-A244 PolarHBondContact O-N 3.33Å; T240-L250 HydrophobicContact CG2-CD1 4.05Å
241E97.9Very high97.4Very high138 Ų13863.4 Ų63.465%0.64534%0.344SS*.Hα-helixtrans-59.2-46.3177-70.4166.7-171.100112Q237 R238 S243Q237-E241 WeakPolarHBondContact O-CG 3.35Å; Q237-E241 PolarHBondContact O-N 3.31Å; R238-E241 PolarHBondContact O-N 3.19Å; E241-S243 VanDerWaalsContact C-N 3.3Å; E241-S243 PolarHBondContact O-N 3.11Å
242R97.5Very high97.5Very high132 Ų13262.5 Ų62.550%0.49833%0.333SS..Hα-helixtrans-66.7-30.1177.7-78.8-61.9-151.7-156.68.2113.6D216 V219 R238 I239 T240D216-R242 IonicContact OD1-CZ 3.59Å; D216-R242 IonicContact OD1-NE 3.56Å; D216-R242 PolarHBondContact OD1-NE 2.99Å; D216-R242 IonicContact OD1-NH2 2.75Å; D216-R242 IonicContact OD2-CZ 2.69Å; D216-R242 IonicContact OD2-NE 3.5Å; D216-R242 IonicContact OD2-NH2 3.47Å; D216-R242 PolarHBondContact OD2-NH2 3.08Å; V219-R242 HydrophobicContact CG1-CB 3.72Å; R238-R242 WeakPolarHBondContact O-CB 3.36Å; R238-R242 WeakPolarHBondContact O-CG 3.4Å; R238-R242 PolarHBondContact O-N 2.95Å; I239-R242 PolarHBondContact O-N 3.27Å; T240-R242 PolarHBondContact O-N 2.86Å
243S97.6Very high97.5Very high2 Ų260.2 Ų60.21%0.01432%0.317CS..Hα-helixtrans-83.1-25.2-177.7-63.20000113.3I239 T240 E241 Y246 C247I239-S243 WeakPolarHBondContact O-CB 3.32Å; I239-S243 PolarHBondContact O-N 3.28Å; I239-S243 PolarHBondContact O-OG 3.13Å; T240-S243 PolarHBondContact O-N 3.12Å; E241-S243 VanDerWaalsContact C-N 3.3Å; E241-S243 PolarHBondContact O-N 3.11Å; S243-Y246 PolarHBondContact O-N 2.95Å; S243-Y246 VanDerWaalsContact O-N 3.09Å; S243-C247 PolarHBondContact O-N 3.17Å
244A97.5Very high97.7Very high66 Ų6660 Ų6055%0.54532%0.315SS..G310 helixtrans-54.8-43.7-173.500000114.5T240 Y246 C247T240-A244 PolarHBondContact O-N 3.33Å; A244-Y246 PolarHBondContact O-N 2.88Å; A244-C247 PolarHBondContact O-N 3.31Å; A244-C247 VanDerWaalsContact O-N 3.16Å
245P97.6Very high97.6Very high103 Ų10357.5 Ų57.567%0.66929%0.294SS*.G310 helixtrans-60.5-20.4179.5-25.136000114.7
246Y97.4Very high97.6Very high112 Ų11254.7 Ų54.744%0.43928%0.278SS..G310 helixtrans-108.73.2-176.6-53.7-73.6000113.3G220 P222 S243 A244 K248G220-Y246 VanDerWaalsContact O-CE2 3.26Å; G220-Y246 WeakPolarHBondContact O-CE2 3.47Å; G220-Y246 PolarHBondContact O-OH 3.41Å; P222-Y246 HydrophobicContact CB-CD1 4.3Å; P222-Y246 HydrophobicContact CB-CE1 3.93Å; S243-Y246 PolarHBondContact O-N 2.95Å; S243-Y246 VanDerWaalsContact O-N 3.09Å; A244-Y246 PolarHBondContact O-N 2.88Å; Y246-K248 PolarHBondContact O-N 3.33Å
247C97.1Very high97.6Very high119 Ų11954.7 Ų54.780%0.80428%0.277SS*.THydrogen-bonded Turntrans51.738.4-178-59.30000113.6S243 A244S243-C247 PolarHBondContact O-N 3.17Å; A244-C247 PolarHBondContact O-N 3.31Å; A244-C247 VanDerWaalsContact O-N 3.16Å
248K98.1Very high97.7Very high18 Ų1849.8 Ų49.88%0.07825%0.254CS..  trans-67.7147.5-176.4-54-179.4-177.5-66.20111.4V219 H221 V224 P225 I227 Y246V219-K248 WeakPolarHBondContact O-CE 3.45Å; H221-K248 PolarHBondContact O-NZ 2.89Å; V224-K248 WeakPolarHBondContact O-CD 3.21Å; V224-K248 WeakPolarHBondContact O-CE 3.24Å; V224-K248 PolarHBondContact O-NZ 3.16Å; P225-K248 CarbonylContact O-C 3.5Å; P225-K248 VanDerWaalsContact O-CA 3.23Å; P225-K248 WeakPolarHBondContact O-CA 3.19Å; P225-K248 WeakPolarHBondContact O-CB 3.15Å; I227-K248 HydrophobicContact CG1-CD 4.06Å; Y246-K248 PolarHBondContact O-N 3.33Å
249K98.1Very high97.8Very high48 Ų4842.1 Ų42.121%0.20923%0.226CC..EExtended strand (participates in β ladder)trans-71.5134.7166.1-6017986.71690109.4V145 P225 L226 I227 H475 F476 T478 E479V145-K249 HydrophobicContact CG2-CD 4.21Å; P225-K249 PolarHBondContact O-N 3.49Å; L226-K249 WeakPolarHBondContact CA-O 3.37Å; L226-K249 HydrophobicContact CB-CB 4.1Å; I227-K249 PolarHBondContact N-O 2.64Å; K249-H475 PolarHBondContact NZ-O 3.23Å; K249-F476 HydrophobicContact CB-CD2 4.22Å; K249-F476 HydrophobicContact CB-CE2 3.67Å; K249-F476 HydrophobicContact CB-CZ 4.45Å; K249-F476 VanDerWaalsContact CE-O 3.29Å; K249-F476 WeakPolarHBondContact CE-O 3.19Å; K249-F476 PolarHBondContact NZ-O 3.04Å; K249-T478 PolarHBondContact NZ-O 2.95Å; K249-E479 WeakPolarHBondContact CD-OE1 3.48Å; K249-E479 VanDerWaalsContact CE-OE1 3.3Å; K249-E479 WeakPolarHBondContact CE-OE1 3.26Å; K249-E479 IonicContact NZ-OE1 3.56Å; K249-E479 PolarHBondContact NZ-OE1 2.95Å
250L98.3Very high97.8Very high36 Ų3641.6 Ų41.619%0.18822%0.224CC..EExtended strand (participates in β ladder)trans-119.2130.4178.5-59.2179.4000111.1I227 I239 T240 L252I227-L250 HydrophobicContact CB-CD2 3.84Å; I227-L250 HydrophobicContact CG1-CD2 4.43Å; I227-L250 WeakPolarHBondContact O-CA 3.36Å; I239-L250 HydrophobicContact CG2-CD2 4.15Å; T240-L250 HydrophobicContact CG2-CD1 4.05Å; L250-L252 HydrophobicContact CB-CD1 4.32Å; L250-L252 HydrophobicContact CB-CD2 4.28Å; L250-L252 HydrophobicContact CB-CG 4.08Å; L250-L252 HydrophobicContact CD1-CD1 4.38Å
251S98.1Very high97.8Very high2 Ų238.7 Ų38.71%0.01421%0.206CC..EExtended strand (participates in β ladder)trans-118.6108.9165-1750000107.3I227 S228 F229 V465 F476I227-S251 PolarHBondContact O-N 3.25Å; S228-S251 CarbonylContact C-O 3.56Å; S228-S251 WeakPolarHBondContact CA-O 3.25Å; F229-S251 PolarHBondContact N-O 2.69Å; S251-V465 CarbonylContact C-O 3.6Å; S251-V465 WeakPolarHBondContact CA-O 3.49Å; S251-F476 VanDerWaalsContact N-CE2 3.32Å
252L98.4Very high97.9Very high5 Ų532.1 Ų32.13%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-119.2110.9-170.3-54.5177.5000108.8F229 A236 I239 L250 L254 G464 V465F229-L252 HydrophobicContact CB-CD2 3.94Å; F229-L252 HydrophobicContact CD1-CD2 4.34Å; F229-L252 WeakPolarHBondContact O-CA 2.7Å; A236-L252 HydrophobicContact CB-CD1 4.3Å; I239-L252 HydrophobicContact CG2-CD2 4.32Å; L250-L252 HydrophobicContact CB-CD1 4.32Å; L250-L252 HydrophobicContact CB-CD2 4.28Å; L250-L252 HydrophobicContact CB-CG 4.08Å; L250-L252 HydrophobicContact CD1-CD1 4.38Å; L252-L254 HydrophobicContact CB-CD2 4.35Å; L252-L254 HydrophobicContact CB-CG 4.39Å; L252-G464 CarbonylContact O-C 3.49Å; L252-G464 WeakPolarHBondContact O-CA 3Å; L252-V465 HydrophobicContact CB-CB 4.3Å; L252-V465 HydrophobicContact CD1-CB 4.26Å; L252-V465 HydrophobicContact CD1-CG2 4.29Å; L252-V465 HydrophobicContact CG-CB 4.41Å; L252-V465 PolarHBondContact N-O 3.01Å; L252-V465 PolarHBondContact O-N 3.37Å
253E98.3Very high97.9Very high4 Ų426.1 Ų26.12%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-106.9113.2175.8-75.1-61.512300109.6F229 T230 G231 F457 G458 E468F229-E253 PolarHBondContact O-N 2.84Å; T230-E253 CarbonylContact C-O 3.58Å; T230-E253 WeakPolarHBondContact CA-O 3.29Å; T230-E253 HydrophobicContact CG2-CB 3.97Å; T230-E253 WeakPolarHBondContact CG2-O 3.35Å; T230-E253 WeakPolarHBondContact OG1-CB 3.38Å; G231-E253 PolarHBondContact N-O 2.86Å; E253-F457 WeakPolarHBondContact OE2-CD1 3.21Å; E253-F457 VanDerWaalsContact OE2-CE1 3.26Å; E253-F457 WeakPolarHBondContact OE2-CE1 3.5Å; E253-G458 VanDerWaalsContact CD-CA 3.46Å; E253-G458 WeakPolarHBondContact OE1-CA 3.41Å; E253-G458 VanDerWaalsContact OE2-CA 3.23Å; E253-G458 WeakPolarHBondContact OE2-CA 3.25Å; E253-E468 HydrophobicContact CG-CG 4.18Å
254L97.6Very high98Very high12 Ų1228 Ų286%0.06317%0.168CC..EExtended strand (participates in β ladder)trans-121.4-179.8-165.8-47.4175.8000112.2F229 G231 T233 A236 L252 H462 S463F229-L254 HydrophobicContact CD1-CD2 3.95Å; F229-L254 HydrophobicContact CE1-CD2 3.79Å; G231-L254 WeakPolarHBondContact O-CA 3.2Å; G231-L254 WeakPolarHBondContact O-CD2 3.3Å; T233-L254 HydrophobicContact CG2-CD1 4.36Å; A236-L254 HydrophobicContact CB-CD1 3.72Å; A236-L254 HydrophobicContact CB-CD2 3.36Å; A236-L254 HydrophobicContact CB-CG 4.19Å; L252-L254 HydrophobicContact CB-CD2 4.35Å; L252-L254 HydrophobicContact CB-CG 4.39Å; L254-H462 WeakPolarHBondContact CD1-O 3.4Å; L254-S463 WeakPolarHBondContact CA-O 3.29Å; L254-S463 WeakPolarHBondContact CB-O 3.48Å; L254-S463 PolarHBondContact N-O 2.91Å
255G94.3Very high98Very high2 Ų227.3 Ų27.32%0.02116%0.155CC..  trans-61167.8-178.800000115.1E391 Y417 S463G255-E391 VanDerWaalsContact CA-CD 3.5Å; G255-E391 WeakPolarHBondContact CA-OE1 3.35Å; G255-E391 VanDerWaalsContact CA-OE2 3.32Å; G255-E391 WeakPolarHBondContact CA-OE2 3.3Å; G255-Y417 WeakPolarHBondContact O-CD1 3.35Å; G255-S463 WeakPolarHBondContact O-CB 3.46Å; G255-S463 PolarHBondContact O-OG 3.41Å
256G97Very high98.1Very high2 Ų222.9 Ų22.92%0.02113%0.128CC..  trans-135.3165.5-179.400000113.1E391G256-E391 PolarHBondContact N-OE1 2.79Å; G256-E391 WeakPolarHBondContact O-CG 3.49Å
257K98.3Very high98.1Very high2 Ų220 Ų201%0.00912%0.12CC..  trans-136.364.9164.8-167.875.7-176.2-1730108.8S291 R292 V387 M388 E390 V415 Y417K257-S291 WeakPolarHBondContact CD-OG 3.49Å; K257-R292 HydrophobicContact CD-CG 4.41Å; K257-R292 HydrophobicContact CG-CG 3.94Å; K257-R292 PolarHBondContact O-NE 2.61Å; K257-R292 PolarHBondContact O-NH2 2.71Å; K257-V387 VanDerWaalsContact CE-O 3.27Å; K257-V387 WeakPolarHBondContact CE-O 3.32Å; K257-V387 PolarHBondContact NZ-O 2.88Å; K257-M388 WeakPolarHBondContact CE-O 3.28Å; K257-M388 WeakPolarHBondContact CG-O 3.38Å; K257-E390 WeakPolarHBondContact CD-O 3.49Å; K257-E390 PolarHBondContact NZ-O 2.87Å; K257-V415 HydrophobicContact CB-CG1 4.38Å; K257-V415 HydrophobicContact CB-CG2 4.37Å; K257-V415 HydrophobicContact CG-CG1 4.31Å; K257-Y417 HydrophobicContact CB-CD2 3.81Å; K257-Y417 HydrophobicContact CB-CG 4.47Å
258N98.7Very high98.2Very high3 Ų315.7 Ų15.72%0.0169%0.088CC..EExtended strand (participates in β ladder)trans-73.3127.1-157.9-46.9-57.6000111.1C287 L288 C289 S291 R292 S420N258-C287 PolarHBondContact ND2-O 3.46Å; N258-L288 VanDerWaalsContact ND2-C 3.29Å; N258-C289 WeakPolarHBondContact CB-O 3.47Å; N258-C289 PolarHBondContact ND2-O 3.16Å; N258-S291 PolarHBondContact O-N 2.91Å; N258-R292 PolarHBondContact O-N 3.03Å; N258-S420 WeakPolarHBondContact CA-O 3.34Å; N258-S420 VanDerWaalsContact CB-O 3.24Å; N258-S420 WeakPolarHBondContact CB-O 3.44Å; N258-S420 WeakPolarHBondContact CB-OG 3.32Å; N258-S420 PolarHBondContact OD1-N 3.45Å; N258-S420 PolarHBondContact OD1-O 3.04Å; N258-S420 PolarHBondContact OD1-OG 2.93Å
259P98.8Very high98.1Very high7 Ų722.5 Ų22.55%0.04512%0.121CC..EExtended strand (participates in β ladder)trans-83.1143.3176.933.8-33.6000111.9R292 Y294 S420 A421 T422P259-R292 CarbonylContact C-O 3.6Å; P259-R292 VanDerWaalsContact CA-O 3.24Å; P259-R292 WeakPolarHBondContact CA-O 3.23Å; P259-Y294 HydrophobicContact CB-CD2 4.04Å; P259-Y294 HydrophobicContact CB-CE2 3.98Å; P259-S420 WeakPolarHBondContact CD-O 3.29Å; P259-A421 HydrophobicContact CG-CB 3.83Å; P259-A421 CarbonylContact O-C 3.57Å; P259-A421 WeakPolarHBondContact O-CA 3.23Å; P259-T422 PolarHBondContact O-N 3.18Å
260A98.8Very high98.1Very high0 Ų024.5 Ų24.50%013%0.131CC..EExtended strand (participates in β ladder)trans-104.4127.8153.900000108.7T290 R292 I293 Y294 T422A260-T290 HydrophobicContact CB-CG2 3.47Å; A260-T290 VanDerWaalsContact CB-CG2 3.47Å; A260-R292 PolarHBondContact N-O 3.14Å; A260-I293 HydrophobicContact CB-CG1 4.38Å; A260-I293 HydrophobicContact CB-CG2 4.49Å; A260-Y294 PolarHBondContact O-N 3Å; A260-T422 WeakPolarHBondContact CA-O 3.34Å; A260-T422 VanDerWaalsContact CA-OG1 3.22Å; A260-T422 WeakPolarHBondContact CA-OG1 3.46Å; A260-T422 WeakPolarHBondContact CB-OG1 3.34Å
261I98.9Very high98.1Very high0 Ų022.8 Ų22.80%012%0.122CC..EExtended strand (participates in β ladder)trans-111.5117.6175.8-58.6176.2000108F263 Y294 F402 A408 T422 V423 W424 L434 L438I261-F263 HydrophobicContact CG2-CD2 4.16Å; I261-F263 HydrophobicContact CG2-CE2 3.42Å; I261-F263 VanDerWaalsContact CG2-CE2 3.42Å; I261-F263 HydrophobicContact CG2-CZ 3.9Å; I261-Y294 CarbonylContact C-O 3.4Å; I261-Y294 WeakPolarHBondContact CA-O 3.48Å; I261-F402 HydrophobicContact CG2-CE1 3.95Å; I261-F402 HydrophobicContact CG2-CZ 4.04Å; I261-A408 HydrophobicContact CD1-CB 4.28Å; I261-A408 WeakPolarHBondContact CD1-O 3.46Å; I261-A408 HydrophobicContact CG2-CB 3.72Å; I261-T422 PolarHBondContact N-O 3.31Å; I261-V423 CarbonylContact O-C 3.58Å; I261-V423 WeakPolarHBondContact O-CA 3.47Å; I261-W424 PolarHBondContact O-N 3.23Å; I261-L434 HydrophobicContact CG2-CD2 4.37Å; I261-L438 HydrophobicContact CD1-CD1 4.24Å; I261-L438 HydrophobicContact CD1-CD2 3.79Å
262I98.9Very high98.2Very high0 Ų023.3 Ų23.30%013%0.125CC..EExtended strand (participates in β ladder)trans-120.4112.5-169.5-55.8173.2000109.5A266 C271 I293 Y294 V295 E296 I299 F303 F402 W424I262-A266 HydrophobicContact CG2-CB 4.15Å; I262-C271 VanDerWaalsContact CD1-SG 3.56Å; I262-I293 HydrophobicContact CD1-CG2 3.59Å; I262-Y294 PolarHBondContact N-O 3.46Å; I262-V295 HydrophobicContact CB-CG1 4.48Å; I262-V295 HydrophobicContact CB-CG2 4.44Å; I262-V295 HydrophobicContact CD1-CG2 4.32Å; I262-V295 HydrophobicContact CG2-CG1 4.49Å; I262-V295 CarbonylContact O-C 3.59Å; I262-V295 WeakPolarHBondContact O-CA 3.25Å; I262-E296 PolarHBondContact O-N 3.2Å; I262-I299 HydrophobicContact CG2-CD1 4.1Å; I262-F303 HydrophobicContact CD1-CD2 4.16Å; I262-F303 HydrophobicContact CD1-CE1 4.29Å; I262-F303 HydrophobicContact CD1-CE2 3.41Å; I262-F303 VanDerWaalsContact CD1-CE2 3.41Å; I262-F303 HydrophobicContact CD1-CZ 3.48Å; I262-F303 VanDerWaalsContact CD1-CZ 3.48Å; I262-F303 HydrophobicContact CG2-CD2 4.49Å; I262-F402 WeakPolarHBondContact O-CE1 3.15Å; I262-W424 HydrophobicContact CB-CB 4.4Å; I262-W424 HydrophobicContact CG1-CB 4.2Å; I262-W424 HydrophobicContact CG1-CG 4.2Å; I262-W424 HydrophobicContact CG2-CB 4.25Å
263F98.9Very high98.2Very high5 Ų529.8 Ų29.82%0.02216%0.155CC..  trans-89.5159.6177.8-71-89.7000112I261 D265 A266 E296 I299 F402 E405 V423 W424 R430 L434I261-F263 HydrophobicContact CG2-CD2 4.16Å; I261-F263 HydrophobicContact CG2-CE2 3.42Å; I261-F263 VanDerWaalsContact CG2-CE2 3.42Å; I261-F263 HydrophobicContact CG2-CZ 3.9Å; F263-D265 VanDerWaalsContact CB-OD1 3.26Å; F263-D265 WeakPolarHBondContact CB-OD1 3.37Å; F263-D265 PolarHBondContact O-N 3.02Å; F263-A266 WeakPolarHBondContact O-CB 3.41Å; F263-A266 PolarHBondContact O-N 2.98Å; F263-E296 WeakPolarHBondContact CA-OE2 3.26Å; F263-E296 WeakPolarHBondContact CD1-OE2 3.19Å; F263-I299 WeakPolarHBondContact O-CD1 3.4Å; F263-F402 HydrophobicContact CD1-CE2 4.13Å; F263-F402 AromaticContact CD1-CZ 3.9Å; F263-F402 HydrophobicContact CD1-CZ 3.9Å; F263-F402 AromaticContact CE1-CE2 3.7Å; F263-F402 HydrophobicContact CE1-CE2 3.7Å; F263-F402 AromaticContact CE1-CZ 3.74Å; F263-F402 HydrophobicContact CE1-CZ 3.74Å; F263-F402 HydrophobicContact CE2-CZ 4.36Å; F263-F402 HydrophobicContact CG-CZ 4.28Å; F263-F402 HydrophobicContact CZ-CE2 4.15Å; F263-F402 AromaticContact CZ-CZ 3.97Å; F263-F402 HydrophobicContact CZ-CZ 3.97Å; F263-E405 HydrophobicContact CE1-CB 4.41Å; F263-E405 HydrophobicContact CZ-CG 4.23Å; F263-V423 HydrophobicContact CD2-CG1 4.5Å; F263-V423 HydrophobicContact CE2-CG1 4.31Å; F263-W424 PolarHBondContact N-O 3.45Å; F263-R430 HydrophobicContact CE2-CG 4.4Å; F263-R430 HydrophobicContact CZ-CG 4.46Å; F263-L434 HydrophobicContact CE2-CD2 3.29Å; F263-L434 HydrophobicContact CZ-CD2 3.5Å
264A98.8Very high98.2Very high41 Ų4130.7 Ų30.734%0.33916%0.161SC..THydrogen-bonded Turntrans-62.6-23.1-178.500000113.9A266 E296 S298 I299A264-A266 VanDerWaalsContact C-N 3.33Å; A264-E296 HydrophobicContact CB-CB 4.47Å; A264-E296 HydrophobicContact CB-CG 4.38Å; A264-E296 VanDerWaalsContact CB-OE2 3.31Å; A264-E296 WeakPolarHBondContact CB-OE2 3.42Å; A264-E296 PolarHBondContact N-OE2 2.91Å; A264-S298 VanDerWaalsContact CB-OG 3.32Å; A264-S298 WeakPolarHBondContact CB-OG 3.17Å; A264-I299 HydrophobicContact CB-CG1 4.32Å; A264-I299 HydrophobicContact CB-CG2 3.9Å
265D98.6Very high98.2Very high52 Ų5230.1 Ų30.128%0.27816%0.158SC..THydrogen-bonded Turntrans-89.53176.476.3-40.4000113.3F263 S425 R426 D427 R430F263-D265 VanDerWaalsContact CB-OD1 3.26Å; F263-D265 WeakPolarHBondContact CB-OD1 3.37Å; F263-D265 PolarHBondContact O-N 3.02Å; D265-S425 WeakPolarHBondContact OD1-CA 3.34Å; D265-S425 WeakPolarHBondContact OD1-CB 3.3Å; D265-S425 PolarHBondContact OD1-OG 3.27Å; D265-S425 PolarHBondContact OD2-OG 3.41Å; D265-R426 VanDerWaalsContact O-CD 3.27Å; D265-R426 WeakPolarHBondContact O-CD 3.23Å; D265-R426 WeakPolarHBondContact O-CG 3.42Å; D265-R426 PolarHBondContact OD2-N 2.92Å; D265-D427 PolarHBondContact OD2-N 2.87Å; D265-R430 IonicContact OD1-NH1 3.47Å; D265-R430 PolarHBondContact OD1-NH1 3.01Å; D265-R430 IonicContact OD2-NH1 3.47Å
266A98.5Very high98.4Very high11 Ų1130.4 Ų30.49%0.09116%0.159CC..SBendtrans-60.9150.5174.800000111.3I262 F263 A264 L268 W424I262-A266 HydrophobicContact CG2-CB 4.15Å; F263-A266 WeakPolarHBondContact O-CB 3.41Å; F263-A266 PolarHBondContact O-N 2.98Å; A264-A266 VanDerWaalsContact C-N 3.33Å; A266-L268 PolarHBondContact O-N 2.89Å; A266-W424 HydrophobicContact CB-CB 3.87Å
267D98.3Very high98.5Very high50 Ų5035.8 Ų35.827%0.26718%0.178SC..  trans-68.997.1163.5-166.1-56.3000109E269 Q270 C271 R426D267-E269 VanDerWaalsContact C-N 3.3Å; D267-E269 PolarHBondContact O-N 3.28Å; D267-E269 PolarHBondContact OD1-N 3.4Å; D267-Q270 HydrophobicContact CB-CB 4.12Å; D267-Q270 PolarHBondContact O-N 3.36Å; D267-Q270 PolarHBondContact OD1-N 3.15Å; D267-C271 WeakPolarHBondContact O-CB 3.43Å; D267-C271 PolarHBondContact O-N 3.43Å; D267-R426 IonicContact OD2-CZ 3.45Å; D267-R426 IonicContact OD2-NH2 3.87Å; D267-R426 PolarHBondContact OD2-NH2 3.16Å
268L97.9Very high98.5Very high29 Ų2935.8 Ų35.815%0.15218%0.179CC..Hα-helixtrans-63.8-35.2-168.6-173.559.7000112.7A266 V272 E302 F303 K306A266-L268 PolarHBondContact O-N 2.89Å; L268-V272 HydrophobicContact CD1-CG2 4.15Å; L268-V272 HydrophobicContact CG-CG2 4.5Å; L268-V272 WeakPolarHBondContact O-CB 3.24Å; L268-V272 VanDerWaalsContact O-CG2 3.28Å; L268-V272 WeakPolarHBondContact O-CG2 3.18Å; L268-V272 PolarHBondContact O-N 3.26Å; L268-E302 HydrophobicContact CD2-CG 3.92Å; L268-E302 WeakPolarHBondContact CD2-OE1 3.37Å; L268-F303 HydrophobicContact CD1-CB 4.2Å; L268-F303 HydrophobicContact CD1-CD2 3.66Å; L268-F303 HydrophobicContact CD1-CG 4.43Å; L268-K306 HydrophobicContact CD2-CD 3.9Å; L268-K306 HydrophobicContact CG-CD 4.26Å
269E97.3Very high98.5Very high162 Ų16235.7 Ų35.776%0.75718%0.178SC*.Hα-helixtrans-67.4-53.9179.6-176170.5-167.200110.7D267 C271 V272 E273D267-E269 VanDerWaalsContact C-N 3.3Å; D267-E269 PolarHBondContact O-N 3.28Å; D267-E269 PolarHBondContact OD1-N 3.4Å; E269-C271 VanDerWaalsContact C-N 3.28Å; E269-C271 PolarHBondContact O-N 2.92Å; E269-V272 PolarHBondContact O-N 3.23Å; E269-E273 PolarHBondContact O-N 3Å; E269-E273 VanDerWaalsContact O-N 3.11Å
270Q98.1Very high98.5Very high89 Ų8935.3 Ų35.342%0.41618%0.176SC..Hα-helixtrans-61-39.4177-173-175.438.200111.9D267 T274 W424D267-Q270 HydrophobicContact CB-CB 4.12Å; D267-Q270 PolarHBondContact O-N 3.36Å; D267-Q270 PolarHBondContact OD1-N 3.15Å; Q270-T274 WeakPolarHBondContact O-CB 3.15Å; Q270-T274 PolarHBondContact O-N 3.36Å; Q270-T274 PolarHBondContact O-OG1 3.37Å; Q270-W424 HydrophobicContact CG-CZ3 4.15Å
271C98.5Very high98.4Very high0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-62.6-48.6179-179.50000111.4I262 D267 E269 T275 W424I262-C271 VanDerWaalsContact CD1-SG 3.56Å; D267-C271 WeakPolarHBondContact O-CB 3.43Å; D267-C271 PolarHBondContact O-N 3.43Å; E269-C271 VanDerWaalsContact C-N 3.28Å; E269-C271 PolarHBondContact O-N 2.92Å; C271-T275 WeakPolarHBondContact O-CB 3.37Å; C271-T275 PolarHBondContact O-N 2.98Å; C271-T275 PolarHBondContact O-OG1 2.68Å; C271-W424 HydrophobicContact CB-CD2 3.87Å; C271-W424 HydrophobicContact CB-CE3 3.62Å; C271-W424 HydrophobicContact CB-CG 4.32Å; C271-W424 HydrophobicContact CB-CZ3 4.13Å; C271-W424 VanDerWaalsContact SG-CD2 3.54Å
272V98.8Very high98.4Very high13 Ų1335.8 Ų35.88%0.07918%0.179CC..Hα-helixtrans-62.7-49.3179167.80000110.5L268 E269 T274 T275 I276 F303 K306 F307 A310L268-V272 HydrophobicContact CD1-CG2 4.15Å; L268-V272 HydrophobicContact CG-CG2 4.5Å; L268-V272 WeakPolarHBondContact O-CB 3.24Å; L268-V272 VanDerWaalsContact O-CG2 3.28Å; L268-V272 WeakPolarHBondContact O-CG2 3.18Å; L268-V272 PolarHBondContact O-N 3.26Å; E269-V272 PolarHBondContact O-N 3.23Å; V272-T274 PolarHBondContact O-N 2.88Å; V272-T275 PolarHBondContact O-N 2.78Å; V272-I276 HydrophobicContact CG1-CG1 4.43Å; V272-I276 VanDerWaalsContact O-CG1 3.28Å; V272-I276 WeakPolarHBondContact O-CG1 3.49Å; V272-I276 PolarHBondContact O-N 2.67Å; V272-F303 HydrophobicContact CG2-CD2 3.85Å; V272-F303 HydrophobicContact CG2-CE2 3.75Å; V272-K306 HydrophobicContact CG2-CB 4.23Å; V272-F307 HydrophobicContact CG1-CD2 4.46Å; V272-A310 HydrophobicContact CG1-CB 3.97Å
273E98.4Very high98.3Very high142 Ų14236 Ų3666%0.66418%0.18SC*.Hα-helixtrans-55.7-50.3179.2-175.7-172.8172.300111.6E269 T275 I276 R277E269-E273 PolarHBondContact O-N 3Å; E269-E273 VanDerWaalsContact O-N 3.11Å; E273-T275 PolarHBondContact O-N 3.19Å; E273-I276 PolarHBondContact O-N 2.82Å; E273-R277 PolarHBondContact O-N 3.15Å
274T98.6Very high98.3Very high22 Ų2235.9 Ų35.914%0.13518%0.18CC..Hα-helixtrans-69.5-37.1-178.5-54.80000111.7Q270 V272 I276 R277 S278 W424 W448Q270-T274 WeakPolarHBondContact O-CB 3.15Å; Q270-T274 PolarHBondContact O-N 3.36Å; Q270-T274 PolarHBondContact O-OG1 3.37Å; V272-T274 PolarHBondContact O-N 2.88Å; T274-I276 VanDerWaalsContact C-N 3.35Å; T274-R277 PolarHBondContact O-N 3.31Å; T274-S278 WeakPolarHBondContact O-CB 2.92Å; T274-S278 PolarHBondContact O-N 2.93Å; T274-S278 PolarHBondContact O-OG 2.86Å; T274-W424 HydrophobicContact CG2-CH2 3.6Å; T274-W424 HydrophobicContact CG2-CZ2 3.52Å; T274-W424 WeakPolarHBondContact OG1-CH2 3.45Å; T274-W448 HydrophobicContact CG2-CB 3.83Å
275T98.7Very high98.3Very high0 Ų033.9 Ų33.90%016%0.164CC..Hα-helixtrans-67.8-36.8-179.5-57.60000111C271 V272 E273 S278 S279 T290 I293 F303 F307C271-T275 WeakPolarHBondContact O-CB 3.37Å; C271-T275 PolarHBondContact O-N 2.98Å; C271-T275 PolarHBondContact O-OG1 2.68Å; V272-T275 PolarHBondContact O-N 2.78Å; E273-T275 PolarHBondContact O-N 3.19Å; T275-S278 WeakPolarHBondContact CA-OG 3.45Å; T275-S278 PolarHBondContact O-N 3.21Å; T275-S278 PolarHBondContact O-OG 3.4Å; T275-S279 WeakPolarHBondContact O-CB 3.34Å; T275-S279 PolarHBondContact O-N 3.24Å; T275-S279 PolarHBondContact O-OG 3.12Å; T275-T290 HydrophobicContact CG2-CG2 4.48Å; T275-I293 HydrophobicContact CG2-CD1 3.53Å; T275-I293 HydrophobicContact CG2-CG1 4.06Å; T275-F303 HydrophobicContact CG2-CZ 4.36Å; T275-F307 HydrophobicContact CG2-CD2 4.4Å; T275-F307 HydrophobicContact CG2-CE2 3.65Å; T275-F307 HydrophobicContact CG2-CZ 4.17Å
276I98.6Very high98.3Very high8 Ų831.8 Ų31.84%0.04115%0.152CC..Hα-helixtrans-57.6-52171.1-72.4-68.5000109.9V272 E273 T274 S278 S279 F280 F307 A310 A311 W314V272-I276 HydrophobicContact CG1-CG1 4.43Å; V272-I276 VanDerWaalsContact O-CG1 3.28Å; V272-I276 WeakPolarHBondContact O-CG1 3.49Å; V272-I276 PolarHBondContact O-N 2.67Å; E273-I276 PolarHBondContact O-N 2.82Å; T274-I276 VanDerWaalsContact C-N 3.35Å; I276-S278 VanDerWaalsContact C-N 3.31Å; I276-S278 PolarHBondContact O-N 3.07Å; I276-S279 PolarHBondContact O-N 3.16Å; I276-S279 VanDerWaalsContact O-N 3.17Å; I276-F280 HydrophobicContact CD1-CD2 4.23Å; I276-F280 HydrophobicContact CD1-CE2 3.83Å; I276-F280 HydrophobicContact CG2-CD2 4.22Å; I276-F280 WeakPolarHBondContact O-CD2 3.39Å; I276-F280 PolarHBondContact O-N 2.84Å; I276-F307 HydrophobicContact CB-CE2 4.48Å; I276-F307 HydrophobicContact CD1-CD2 3.63Å; I276-F307 HydrophobicContact CD1-CE1 4.47Å; I276-F307 HydrophobicContact CD1-CE2 3.39Å; I276-F307 HydrophobicContact CD1-CG 4.27Å; I276-F307 HydrophobicContact CD1-CZ 3.86Å; I276-F307 HydrophobicContact CG1-CD2 3.92Å; I276-F307 HydrophobicContact CG1-CE2 3.73Å; I276-A310 HydrophobicContact CD1-CB 3.82Å; I276-A310 HydrophobicContact CG1-CB 3.7Å; I276-A311 HydrophobicContact CD1-CB 3.88Å; I276-W314 HydrophobicContact CG2-CB 4.35Å; I276-W314 HydrophobicContact CG2-CD2 3.93Å; I276-W314 HydrophobicContact CG2-CE3 3.43Å; I276-W314 VanDerWaalsContact CG2-CE3 3.43Å; I276-W314 HydrophobicContact CG2-CG 4.36Å; I276-W314 HydrophobicContact CG2-CZ3 4.03Å
277R98.1Very high98.2Very high115 Ų11532.3 Ų32.343%0.43416%0.155SC..Hα-helixtrans-58.6-45178.7-157.8179.171.6154.14.2111E273 T274 S279 S281 W314 W448E273-R277 PolarHBondContact O-N 3.15Å; T274-R277 PolarHBondContact O-N 3.31Å; R277-S279 VanDerWaalsContact C-N 3.3Å; R277-S279 PolarHBondContact O-N 2.76Å; R277-S281 WeakPolarHBondContact CG-OG 3.19Å; R277-S281 WeakPolarHBondContact O-CB 3.48Å; R277-S281 PolarHBondContact O-N 2.94Å; R277-S281 PolarHBondContact O-OG 2.86Å; R277-W314 HydrophobicContact CB-CH2 4.49Å; R277-W314 HydrophobicContact CG-CH2 4.06Å; R277-W448 PolarHBondContact NH2-O 2.89Å
278S98.4Very high98.2Very high2 Ų230.1 Ų30.11%0.01414%0.144CC..Hα-helixtrans-67.8-25.6-179.876.90000114.4T274 T275 I276 C289 T290 W448T274-S278 WeakPolarHBondContact O-CB 2.92Å; T274-S278 PolarHBondContact O-N 2.93Å; T274-S278 PolarHBondContact O-OG 2.86Å; T275-S278 WeakPolarHBondContact CA-OG 3.45Å; T275-S278 PolarHBondContact O-N 3.21Å; T275-S278 PolarHBondContact O-OG 3.4Å; I276-S278 VanDerWaalsContact C-N 3.31Å; I276-S278 PolarHBondContact O-N 3.07Å; S278-C289 CarbonylContact O-C 3.6Å; S278-C289 WeakPolarHBondContact O-CA 3.41Å; S278-C289 WeakPolarHBondContact O-CB 3.44Å; S278-C289 PolarHBondContact O-SG 3.25Å; S278-T290 WeakPolarHBondContact CB-OG1 3.32Å; S278-T290 PolarHBondContact O-N 2.7Å; S278-T290 VanDerWaalsContact OG-CB 3.26Å; S278-T290 WeakPolarHBondContact OG-CB 3.43Å; S278-T290 PolarHBondContact OG-OG1 3.18Å; S278-W448 VanDerWaalsContact CB-CE2 3.5Å; S278-W448 VanDerWaalsContact CB-CG 3.47Å
279S98.7Very high98.2Very high1 Ų129.2 Ų29.21%0.00714%0.139CC..Hα-helixtrans-87.1-33.7-178.3-56.70000112.1T275 I276 R277 T290T275-S279 WeakPolarHBondContact O-CB 3.34Å; T275-S279 PolarHBondContact O-N 3.24Å; T275-S279 PolarHBondContact O-OG 3.12Å; I276-S279 PolarHBondContact O-N 3.16Å; I276-S279 VanDerWaalsContact O-N 3.17Å; R277-S279 VanDerWaalsContact C-N 3.3Å; R277-S279 PolarHBondContact O-N 2.76Å; S279-T290 WeakPolarHBondContact CA-O 3.44Å; S279-T290 PolarHBondContact OG-O 2.85Å
280F98.6Very high98.3Very high0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-122.7-13.2-164.5-55-54.4000115.2I276 Q283 G284 F307 A311 W314 N326 P375 V377 P395 T397I276-F280 HydrophobicContact CD1-CD2 4.23Å; I276-F280 HydrophobicContact CD1-CE2 3.83Å; I276-F280 HydrophobicContact CG2-CD2 4.22Å; I276-F280 WeakPolarHBondContact O-CD2 3.39Å; I276-F280 PolarHBondContact O-N 2.84Å; F280-Q283 WeakPolarHBondContact O-CA 3.47Å; F280-Q283 PolarHBondContact O-N 3.37Å; F280-Q283 VanDerWaalsContact O-N 3.12Å; F280-G284 PolarHBondContact O-N 3.41Å; F280-F307 HydrophobicContact CE2-CE1 4.43Å; F280-F307 HydrophobicContact CE2-CZ 4.02Å; F280-F307 HydrophobicContact CZ-CE1 4.44Å; F280-F307 HydrophobicContact CZ-CZ 4.33Å; F280-A311 HydrophobicContact CE2-CB 3.88Å; F280-A311 HydrophobicContact CZ-CB 4.32Å; F280-W314 HydrophobicContact CB-CD2 4.5Å; F280-W314 HydrophobicContact CB-CG 4.32Å; F280-N326 VanDerWaalsContact O-CG 3.29Å; F280-N326 PolarHBondContact O-ND2 3.47Å; F280-N326 PolarHBondContact O-OD1 3.42Å; F280-P375 HydrophobicContact CD1-CB 3.75Å; F280-P375 HydrophobicContact CD1-CG 4.43Å; F280-P375 HydrophobicContact CD2-CB 3.98Å; F280-P375 HydrophobicContact CE1-CB 3.75Å; F280-P375 HydrophobicContact CE2-CB 3.97Å; F280-P375 HydrophobicContact CG-CB 3.87Å; F280-P375 HydrophobicContact CG-CG 4.26Å; F280-P375 HydrophobicContact CZ-CB 3.85Å; F280-V377 HydrophobicContact CZ-CG2 4Å; F280-P395 HydrophobicContact CD1-CB 4.02Å; F280-P395 WeakPolarHBondContact CE1-O 3.4Å; F280-T397 HydrophobicContact CE1-CG2 4.19Å; F280-T397 HydrophobicContact CZ-CG2 3.81Å
281S97.8Very high98.3Very high8 Ų818.1 Ų18.16%0.0569%0.09CC..G310 helixtrans-56.2141.8178.5-65.60000111.6R277 Q283 G284R277-S281 WeakPolarHBondContact CG-OG 3.19Å; R277-S281 WeakPolarHBondContact O-CB 3.48Å; R277-S281 PolarHBondContact O-N 2.94Å; R277-S281 PolarHBondContact O-OG 2.86Å; S281-Q283 VanDerWaalsContact C-N 3.26Å; S281-Q283 PolarHBondContact O-N 2.61Å; S281-G284 PolarHBondContact O-N 3.36Å; S281-G284 VanDerWaalsContact O-N 3.1Å
282N97.8Very high98.3Very high2 Ų218.2 Ų18.21%0.0119%0.09CC..G310 helixtrans52.544.4-172.9-161.255.9000111.9Q95 K97 F101 N155 G284 E285 I286Q95-N282 PolarHBondContact OE1-OD1 2.68Å; K97-N282 WeakPolarHBondContact CB-OD1 3.14Å; K97-N282 VanDerWaalsContact CE-OD1 3.3Å; K97-N282 WeakPolarHBondContact CE-OD1 3.13Å; F101-N282 HydrophobicContact CE1-CB 4.03Å; F101-N282 HydrophobicContact CE2-CB 4.41Å; F101-N282 HydrophobicContact CZ-CB 3.95Å; N155-N282 PolarHBondContact O-ND2 3.43Å; N155-N282 VanDerWaalsContact O-ND2 3.11Å; N282-G284 PolarHBondContact O-N 3.23Å; N282-E285 PolarHBondContact ND2-O 3.46Å; N282-E285 VanDerWaalsContact ND2-O 3.12Å; N282-E285 WeakPolarHBondContact O-CA 3.11Å; N282-E285 VanDerWaalsContact O-CB 3.24Å; N282-E285 WeakPolarHBondContact O-CB 3.19Å; N282-E285 PolarHBondContact O-N 2.77Å; N282-I286 HydrophobicContact CB-CD1 3.79Å; N282-I286 HydrophobicContact CB-CG1 3.7Å
283Q98Very high98.3Very high4 Ų417.7 Ų17.72%0.0199%0.086CC..G310 helixtrans54.525.7-177.3-52.870.3-122.300114F280 S281 E285 N326 G327 A328 L329 G394 P395F280-Q283 WeakPolarHBondContact O-CA 3.47Å; F280-Q283 PolarHBondContact O-N 3.37Å; F280-Q283 VanDerWaalsContact O-N 3.12Å; S281-Q283 VanDerWaalsContact C-N 3.26Å; S281-Q283 PolarHBondContact O-N 2.61Å; Q283-E285 HydrophobicContact CB-CG 4.32Å; Q283-E285 PolarHBondContact NE2-OE2 3.13Å; Q283-E285 PolarHBondContact O-N 3.15Å; Q283-N326 HydrophobicContact CG-CB 4.09Å; Q283-N326 PolarHBondContact N-OD1 2.81Å; Q283-G327 VanDerWaalsContact CG-O 3.3Å; Q283-G327 WeakPolarHBondContact CG-O 3.34Å; Q283-A328 PolarHBondContact NE2-O 2.83Å; Q283-L329 HydrophobicContact CB-CG 4.31Å; Q283-G394 CarbonylContact O-C 3.54Å; Q283-G394 VanDerWaalsContact O-CA 3.28Å; Q283-G394 WeakPolarHBondContact O-CA 3.46Å; Q283-P395 WeakPolarHBondContact O-CD 3.37Å
284G98.1Very high98.3Very high2 Ų211 Ų112%0.0216%0.055CC..G310 helixtrans70.411.6-173.800000114.4F280 S281 N282 I286 F393F280-G284 PolarHBondContact O-N 3.41Å; S281-G284 PolarHBondContact O-N 3.36Å; S281-G284 VanDerWaalsContact O-N 3.1Å; N282-G284 PolarHBondContact O-N 3.23Å; G284-I286 PolarHBondContact O-N 2.89Å; G284-F393 CarbonylContact O-C 3.45Å
285E98.6Very high98.3Very high0 Ų09.9 Ų9.90%05%0.049CC..  trans-90.149.2177.4-56.8172.6129.700110.2Q95 W154 N155 N282 Q283 L329 I330 H334 F393Q95-E285 PolarHBondContact NE2-OE2 3.16Å; W154-E285 HydrophobicContact CH2-CB 4.14Å; W154-E285 HydrophobicContact CH2-CG 3.99Å; W154-E285 WeakPolarHBondContact CH2-OE1 3.44Å; W154-E285 HydrophobicContact CZ3-CB 3.86Å; W154-E285 VanDerWaalsContact CZ3-CD 3.5Å; W154-E285 HydrophobicContact CZ3-CG 3.93Å; W154-E285 VanDerWaalsContact CZ3-OE1 3.31Å; W154-E285 WeakPolarHBondContact CZ3-OE1 3.5Å; N155-E285 HydrophobicContact CB-CB 4.32Å; N155-E285 VanDerWaalsContact CB-O 3.26Å; N155-E285 WeakPolarHBondContact CB-O 3.39Å; N155-E285 PolarHBondContact ND2-O 3.09Å; N282-E285 PolarHBondContact ND2-O 3.46Å; N282-E285 VanDerWaalsContact ND2-O 3.12Å; N282-E285 WeakPolarHBondContact O-CA 3.11Å; N282-E285 VanDerWaalsContact O-CB 3.24Å; N282-E285 WeakPolarHBondContact O-CB 3.19Å; N282-E285 PolarHBondContact O-N 2.77Å; Q283-E285 HydrophobicContact CB-CG 4.32Å; Q283-E285 PolarHBondContact NE2-OE2 3.13Å; Q283-E285 PolarHBondContact O-N 3.15Å; E285-L329 HydrophobicContact CG-CD2 4.12Å; E285-L329 WeakPolarHBondContact OE1-CA 3.48Å; E285-I330 PolarHBondContact OE1-N 2.61Å; E285-H334 IonicContact OE1-CD2 2.84Å; E285-H334 PolarHBondContact OE1-CD2 3.21Å; E285-H334 IonicContact OE1-NE2 3.63Å; E285-F393 HydrophobicContact CB-CD1 3.99Å; E285-F393 HydrophobicContact CB-CE1 3.73Å; E285-F393 HydrophobicContact CB-CZ 4.46Å; E285-F393 HydrophobicContact CG-CD1 4.22Å; E285-F393 HydrophobicContact CG-CE1 4.4Å
286I97.9Very high98.3Very high7 Ų712.2 Ų12.24%0.0366%0.06CC..SBendtrans-128.1129.4170.7-50.4177.5000106.9F101 N282 G284 L288 C289 W448F101-I286 HydrophobicContact CZ-CD1 4.13Å; N282-I286 HydrophobicContact CB-CD1 3.79Å; N282-I286 HydrophobicContact CB-CG1 3.7Å; G284-I286 PolarHBondContact O-N 2.89Å; I286-L288 HydrophobicContact CG2-CB 4.07Å; I286-L288 HydrophobicContact CG2-CD1 4.45Å; I286-L288 HydrophobicContact CG2-CG 4.43Å; I286-L288 PolarHBondContact O-N 3.11Å; I286-C289 VanDerWaalsContact O-CB 3.25Å; I286-C289 WeakPolarHBondContact O-CB 3.45Å; I286-C289 PolarHBondContact O-N 3.36Å; I286-W448 HydrophobicContact CD1-CH2 4.2Å
287C97.4Very high98.4Very high22 Ų2218 Ų1815%0.1498%0.081CC..THydrogen-bonded Turntrans-56.7-24.2-18054.20000113.1N258 F393 L419N258-C287 PolarHBondContact ND2-O 3.46Å; C287-F393 HydrophobicContact CB-CE2 4.28Å; C287-L419 HydrophobicContact CB-CD2 3.59Å; C287-L419 WeakPolarHBondContact O-CD2 3.37Å
288L97.8Very high98.4Very high5 Ų516.8 Ų16.83%0.0269%0.09CC..THydrogen-bonded Turntrans-88.2-1179.8-56.1164.1000113.9N258 I286 L419 S420 L442 W444 W448 L449 F457N258-L288 VanDerWaalsContact ND2-C 3.29Å; I286-L288 HydrophobicContact CG2-CB 4.07Å; I286-L288 HydrophobicContact CG2-CD1 4.45Å; I286-L288 HydrophobicContact CG2-CG 4.43Å; I286-L288 PolarHBondContact O-N 3.11Å; L288-L419 HydrophobicContact CD2-CD1 4.47Å; L288-L419 HydrophobicContact CD2-CD2 3.77Å; L288-L419 HydrophobicContact CD2-CG 3.82Å; L288-L419 HydrophobicContact CG-CD2 4.42Å; L288-S420 PolarHBondContact O-OG 2.9Å; L288-L442 HydrophobicContact CD2-CD1 3.69Å; L288-W444 HydrophobicContact CB-CH2 4.38Å; L288-W444 HydrophobicContact CD1-CH2 4.12Å; L288-W444 HydrophobicContact CD2-CH2 4.07Å; L288-W444 HydrophobicContact CG-CH2 4.41Å; L288-W448 HydrophobicContact CB-CZ2 4.4Å; L288-W448 PolarHBondContact O-NE1 3.4Å; L288-L449 HydrophobicContact CD1-CD1 3.57Å; L288-F457 HydrophobicContact CD1-CE2 3.72Å; L288-F457 HydrophobicContact CD1-CZ 3.93Å; L288-F457 HydrophobicContact CD2-CE2 3.93Å; L288-F457 HydrophobicContact CD2-CZ 3.95Å; L288-F457 HydrophobicContact CG-CE2 4.33Å; L288-F457 HydrophobicContact CG-CZ 4.24Å
289C98.4Very high98.4Very high9 Ų917.9 Ų17.96%0.06110%0.095CC..  trans-61.9140.6-177.3-86.50000112N258 S278 I286 S291N258-C289 WeakPolarHBondContact CB-O 3.47Å; N258-C289 PolarHBondContact ND2-O 3.16Å; S278-C289 CarbonylContact O-C 3.6Å; S278-C289 WeakPolarHBondContact O-CA 3.41Å; S278-C289 WeakPolarHBondContact O-CB 3.44Å; S278-C289 PolarHBondContact O-SG 3.25Å; I286-C289 VanDerWaalsContact O-CB 3.25Å; I286-C289 WeakPolarHBondContact O-CB 3.45Å; I286-C289 PolarHBondContact O-N 3.36Å; C289-S291 PolarHBondContact O-N 3.19Å
290T98.6Very high98.4Very high2 Ų219.8 Ų19.81%0.01210%0.102CC..EExtended strand (participates in β ladder)trans-74.1111.7173.4-59.10000108.8A260 T275 S278 S279 I293 T397A260-T290 HydrophobicContact CB-CG2 3.47Å; A260-T290 VanDerWaalsContact CB-CG2 3.47Å; T275-T290 HydrophobicContact CG2-CG2 4.48Å; S278-T290 WeakPolarHBondContact CB-OG1 3.32Å; S278-T290 PolarHBondContact O-N 2.7Å; S278-T290 VanDerWaalsContact OG-CB 3.26Å; S278-T290 WeakPolarHBondContact OG-CB 3.43Å; S278-T290 PolarHBondContact OG-OG1 3.18Å; S279-T290 WeakPolarHBondContact CA-O 3.44Å; S279-T290 PolarHBondContact OG-O 2.85Å; T290-I293 HydrophobicContact CG2-CD1 4.36Å; T290-I293 HydrophobicContact CG2-CG1 3.63Å; T290-T397 PolarHBondContact O-OG1 3.07Å
291S98.2Very high98.4Very high17 Ų1724.1 Ų24.112%0.11913%0.133CC..EExtended strand (participates in β ladder)trans-117.4-7.6-179.350.50000113.2K257 N258 C289 C398K257-S291 WeakPolarHBondContact CD-OG 3.49Å; N258-S291 PolarHBondContact O-N 2.91Å; C289-S291 PolarHBondContact O-N 3.19Å; S291-C398 PolarHBondContact O-N 2.87Å
292R98.7Very high98.5Very high2 Ų228.2 Ų28.21%0.00815%0.151CC..EExtended strand (participates in β ladder)trans-130.4123171-61.2-175.5-65.7145.2-1.3108.7K257 N258 P259 A260 Y294 M388 R411 G412 V415K257-R292 HydrophobicContact CD-CG 4.41Å; K257-R292 HydrophobicContact CG-CG 3.94Å; K257-R292 PolarHBondContact O-NE 2.61Å; K257-R292 PolarHBondContact O-NH2 2.71Å; N258-R292 PolarHBondContact O-N 3.03Å; P259-R292 CarbonylContact C-O 3.6Å; P259-R292 VanDerWaalsContact CA-O 3.24Å; P259-R292 WeakPolarHBondContact CA-O 3.23Å; A260-R292 PolarHBondContact N-O 3.14Å; R292-Y294 HydrophobicContact CB-CE2 3.95Å; R292-Y294 PolarHBondContact NH1-OH 3.18Å; R292-M388 HydrophobicContact CB-CE 4.36Å; R292-M388 WeakPolarHBondContact CD-O 3.46Å; R292-M388 HydrophobicContact CG-CE 4Å; R292-M388 HydrophobicContact CG-SD 4.11Å; R292-R411 PolarHBondContact NH1-O 3.43Å; R292-G412 PolarHBondContact NH2-O 3.39Å; R292-V415 VanDerWaalsContact CZ-CG1 3.44Å
293I98.9Very high98.5Very high1 Ų128.1 Ų28.11%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-117.6118.8179.8-57.9168.5000107.2A260 I262 T275 T290 V295 F303 F307 T397 C398 V399 C400A260-I293 HydrophobicContact CB-CG1 4.38Å; A260-I293 HydrophobicContact CB-CG2 4.49Å; I262-I293 HydrophobicContact CD1-CG2 3.59Å; T275-I293 HydrophobicContact CG2-CD1 3.53Å; T275-I293 HydrophobicContact CG2-CG1 4.06Å; T290-I293 HydrophobicContact CG2-CD1 4.36Å; T290-I293 HydrophobicContact CG2-CG1 3.63Å; I293-V295 HydrophobicContact CG2-CG2 3.8Å; I293-F303 HydrophobicContact CG2-CE1 3.82Å; I293-F303 HydrophobicContact CG2-CZ 3.95Å; I293-F307 HydrophobicContact CD1-CE1 3.8Å; I293-F307 HydrophobicContact CD1-CE2 4.14Å; I293-F307 HydrophobicContact CD1-CZ 3.56Å; I293-T397 HydrophobicContact CD1-CG2 3.93Å; I293-T397 WeakPolarHBondContact CD1-OG1 3.37Å; I293-C398 PolarHBondContact N-O 3.49Å; I293-V399 HydrophobicContact CB-CG1 4.34Å; I293-V399 HydrophobicContact CB-CG2 4.28Å; I293-V399 HydrophobicContact CD1-CG2 4.16Å; I293-V399 HydrophobicContact CG2-CG1 4.23Å; I293-V399 CarbonylContact O-C 3.59Å; I293-V399 WeakPolarHBondContact O-CA 3.34Å; I293-C400 PolarHBondContact O-N 3.1Å
294Y98.9Very high98.6Very high1 Ų128.9 Ų28.90%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-108.8121.3176.4-61.6-67.6000108.3P259 A260 I261 I262 R292 M388 C400 F402 R411P259-Y294 HydrophobicContact CB-CD2 4.04Å; P259-Y294 HydrophobicContact CB-CE2 3.98Å; A260-Y294 PolarHBondContact O-N 3Å; I261-Y294 CarbonylContact C-O 3.4Å; I261-Y294 WeakPolarHBondContact CA-O 3.48Å; I262-Y294 PolarHBondContact N-O 3.46Å; R292-Y294 HydrophobicContact CB-CE2 3.95Å; R292-Y294 PolarHBondContact NH1-OH 3.18Å; Y294-M388 HydrophobicContact CE1-CE 4.04Å; Y294-M388 WeakPolarHBondContact OH-CE 3.3Å; Y294-C400 CarbonylContact C-O 3.41Å; Y294-C400 VanDerWaalsContact CA-O 3.3Å; Y294-C400 WeakPolarHBondContact CA-O 3.34Å; Y294-C400 HydrophobicContact CD1-CB 3.99Å; Y294-C400 HydrophobicContact CE1-CB 4.15Å; Y294-F402 WeakPolarHBondContact O-CE1 3.07Å; Y294-R411 HydrophobicContact CD1-CB 4.46Å; Y294-R411 HydrophobicContact CE1-CB 4.03Å; Y294-R411 HydrophobicContact CE2-CB 4.26Å
295V98.9Very high98.6Very high0 Ų035.9 Ų35.90%019%0.187CC..EExtended strand (participates in β ladder)trans-121.3135.7-174.6-1720000110I262 I293 R297 I299 Y300 F303 V399 C400 P401 F402I262-V295 HydrophobicContact CB-CG1 4.48Å; I262-V295 HydrophobicContact CB-CG2 4.44Å; I262-V295 HydrophobicContact CD1-CG2 4.32Å; I262-V295 HydrophobicContact CG2-CG1 4.49Å; I262-V295 CarbonylContact O-C 3.59Å; I262-V295 WeakPolarHBondContact O-CA 3.25Å; I293-V295 HydrophobicContact CG2-CG2 3.8Å; V295-R297 PolarHBondContact O-N 3.43Å; V295-I299 HydrophobicContact CG1-CD1 3.85Å; V295-I299 HydrophobicContact CG1-CG1 3.75Å; V295-Y300 HydrophobicContact CB-CD2 4.21Å; V295-F303 HydrophobicContact CG1-CB 3.89Å; V295-F303 HydrophobicContact CG1-CD1 4.43Å; V295-F303 HydrophobicContact CG1-CG 4.08Å; V295-F303 HydrophobicContact CG2-CD1 3.54Å; V295-F303 HydrophobicContact CG2-CE1 3.85Å; V295-F303 HydrophobicContact CG2-CG 3.96Å; V295-V399 HydrophobicContact CG2-CG1 3.92Å; V295-C400 PolarHBondContact N-O 3.33Å; V295-P401 CarbonylContact O-C 3.59Å; V295-P401 WeakPolarHBondContact O-CA 3.48Å; V295-F402 WeakPolarHBondContact O-CD1 3.5Å; V295-F402 PolarHBondContact O-N 3.48Å
296E98.9Very high98.6Very high49 Ų4940.7 Ų40.723%0.22921%0.208CC..EExtended strand (participates in β ladder)trans-60.8134.6177.7-171.3174.2173.500110.4I262 F263 A264 S298 I299 Y300 F402I262-E296 PolarHBondContact O-N 3.2Å; F263-E296 WeakPolarHBondContact CA-OE2 3.26Å; F263-E296 WeakPolarHBondContact CD1-OE2 3.19Å; A264-E296 HydrophobicContact CB-CB 4.47Å; A264-E296 HydrophobicContact CB-CG 4.38Å; A264-E296 VanDerWaalsContact CB-OE2 3.31Å; A264-E296 WeakPolarHBondContact CB-OE2 3.42Å; A264-E296 PolarHBondContact N-OE2 2.91Å; E296-S298 PolarHBondContact O-N 2.82Å; E296-I299 HydrophobicContact CB-CG1 4.47Å; E296-I299 WeakPolarHBondContact O-CG1 3.45Å; E296-I299 PolarHBondContact O-N 2.91Å; E296-Y300 PolarHBondContact O-N 2.73Å; E296-Y300 VanDerWaalsContact O-N 3.17Å; E296-F402 HydrophobicContact CB-CE1 4.13Å; E296-F402 HydrophobicContact CB-CE2 3.95Å; E296-F402 HydrophobicContact CB-CZ 3.65Å; E296-F402 HydrophobicContact CG-CE2 4.16Å; E296-F402 HydrophobicContact CG-CZ 4.34Å
297R98.8Very high98.6Very high130 Ų13040.3 Ų40.349%0.49121%0.206SC..G310 helixtrans-53.2-36.5-167.8-174.1173.2-60.9-80.9-2.1113.8V295 I299 Y300 F402 D403V295-R297 PolarHBondContact O-N 3.43Å; R297-I299 PolarHBondContact O-N 2.83Å; R297-Y300 PolarHBondContact O-N 3.46Å; R297-F402 WeakPolarHBondContact CB-O 3.35Å; R297-F402 PolarHBondContact N-O 3.24Å; R297-D403 WeakPolarHBondContact CD-OD1 3.27Å; R297-D403 IonicContact CZ-OD1 3.62Å; R297-D403 IonicContact CZ-OD2 2.66Å; R297-D403 VanDerWaalsContact NE-CG 3.33Å; R297-D403 IonicContact NE-OD1 2.64Å; R297-D403 PolarHBondContact NE-OD1 2.79Å; R297-D403 IonicContact NE-OD2 3.28Å; R297-D403 PolarHBondContact NE-OD2 2.85Å; R297-D403 IonicContact NH2-OD1 3.7Å; R297-D403 IonicContact NH2-OD2 3.93Å; R297-D403 PolarHBondContact NH2-OD2 3.35Å
298S98.8Very high98.7Very high88 Ų8840 Ų4062%0.61520%0.203SC*.G310 helixtrans-62.4-27-178.353.80000114.1A264 E296A264-S298 VanDerWaalsContact CB-OG 3.32Å; A264-S298 WeakPolarHBondContact CB-OG 3.17Å; E296-S298 PolarHBondContact O-N 2.82Å
299I98.8Very high98.8Very high25 Ų2542 Ų4213%0.12822%0.22CC..G310 helixtrans-114.42.2179.360.2153.3000113.2I262 F263 A264 V295 E296 R297 S301 E302 F303I262-I299 HydrophobicContact CG2-CD1 4.1Å; F263-I299 WeakPolarHBondContact O-CD1 3.4Å; A264-I299 HydrophobicContact CB-CG1 4.32Å; A264-I299 HydrophobicContact CB-CG2 3.9Å; V295-I299 HydrophobicContact CG1-CD1 3.85Å; V295-I299 HydrophobicContact CG1-CG1 3.75Å; E296-I299 HydrophobicContact CB-CG1 4.47Å; E296-I299 WeakPolarHBondContact O-CG1 3.45Å; E296-I299 PolarHBondContact O-N 2.91Å; R297-I299 PolarHBondContact O-N 2.83Å; I299-S301 PolarHBondContact O-N 2.83Å; I299-E302 PolarHBondContact O-N 3.25Å; I299-F303 WeakPolarHBondContact O-CB 3.31Å; I299-F303 PolarHBondContact O-N 2.78Å
300Y98.9Very high98.8Very high41 Ų4142.8 Ų42.816%0.16123%0.228CC..Hα-helixtrans-55-50.6-173.6171.8-104.8000113.3V295 E296 R297 F303 L304 V399 P401V295-Y300 HydrophobicContact CB-CD2 4.21Å; E296-Y300 PolarHBondContact O-N 2.73Å; E296-Y300 VanDerWaalsContact O-N 3.17Å; R297-Y300 PolarHBondContact O-N 3.46Å; Y300-F303 PolarHBondContact O-N 3.13Å; Y300-L304 HydrophobicContact CE1-CD2 4.2Å; Y300-L304 VanDerWaalsContact O-CB 3.31Å; Y300-L304 WeakPolarHBondContact O-CB 3.36Å; Y300-L304 PolarHBondContact O-N 2.84Å; Y300-V399 HydrophobicContact CE2-CG1 4.02Å; Y300-P401 HydrophobicContact CD1-CB 4.33Å; Y300-P401 HydrophobicContact CD2-CB 3.75Å; Y300-P401 HydrophobicContact CD2-CG 4.33Å; Y300-P401 HydrophobicContact CE2-CB 4.22Å; Y300-P401 HydrophobicContact CE2-CG 4.32Å; Y300-P401 HydrophobicContact CG-CB 3.81Å; Y300-P401 HydrophobicContact CG-CG 4.47Å
301S98.6Very high98.8Very high91 Ų9142.8 Ų42.864%0.63623%0.228SC*.Hα-helixtrans-64-44.3-176.9-570000111.7I299 L304 E305I299-S301 PolarHBondContact O-N 2.83Å; S301-L304 PolarHBondContact O-N 2.92Å; S301-E305 PolarHBondContact O-N 2.56Å; S301-E305 VanDerWaalsContact O-N 3.08Å
302E98.8Very high98.8Very high95 Ų9548.7 Ų48.744%0.44425%0.247SC..Hα-helixtrans-65-45.4178.6-176.4-177.4176.900111.4L268 I299 K306L268-E302 HydrophobicContact CD2-CG 3.92Å; L268-E302 WeakPolarHBondContact CD2-OE1 3.37Å; I299-E302 PolarHBondContact O-N 3.25Å; E302-K306 HydrophobicContact CG-CD 4.13Å; E302-K306 VanDerWaalsContact CG-CE 3.44Å; E302-K306 WeakPolarHBondContact O-CG 3.44Å; E302-K306 PolarHBondContact O-N 3.16Å; E302-K306 VanDerWaalsContact O-N 3.08Å; E302-K306 WeakPolarHBondContact OE1-CE 3.37Å; E302-K306 IonicContact OE1-NZ 2.96Å
303F98.9Very high98.7Very high0 Ų056.3 Ų56.30%028%0.281CS..Hα-helixtrans-59.6-49.3176.4176.8-86.3000111I262 L268 V272 T275 I293 V295 I299 Y300 E305 K306 F307 V399I262-F303 HydrophobicContact CD1-CD2 4.16Å; I262-F303 HydrophobicContact CD1-CE1 4.29Å; I262-F303 HydrophobicContact CD1-CE2 3.41Å; I262-F303 VanDerWaalsContact CD1-CE2 3.41Å; I262-F303 HydrophobicContact CD1-CZ 3.48Å; I262-F303 VanDerWaalsContact CD1-CZ 3.48Å; I262-F303 HydrophobicContact CG2-CD2 4.49Å; L268-F303 HydrophobicContact CD1-CB 4.2Å; L268-F303 HydrophobicContact CD1-CD2 3.66Å; L268-F303 HydrophobicContact CD1-CG 4.43Å; V272-F303 HydrophobicContact CG2-CD2 3.85Å; V272-F303 HydrophobicContact CG2-CE2 3.75Å; T275-F303 HydrophobicContact CG2-CZ 4.36Å; I293-F303 HydrophobicContact CG2-CE1 3.82Å; I293-F303 HydrophobicContact CG2-CZ 3.95Å; V295-F303 HydrophobicContact CG1-CB 3.89Å; V295-F303 HydrophobicContact CG1-CD1 4.43Å; V295-F303 HydrophobicContact CG1-CG 4.08Å; V295-F303 HydrophobicContact CG2-CD1 3.54Å; V295-F303 HydrophobicContact CG2-CE1 3.85Å; V295-F303 HydrophobicContact CG2-CG 3.96Å; I299-F303 WeakPolarHBondContact O-CB 3.31Å; I299-F303 PolarHBondContact O-N 2.78Å; Y300-F303 PolarHBondContact O-N 3.13Å; F303-E305 VanDerWaalsContact C-N 3.34Å; F303-E305 PolarHBondContact O-N 2.82Å; F303-K306 PolarHBondContact O-N 3.5Å; F303-F307 HydrophobicContact CD1-CB 4.18Å; F303-F307 HydrophobicContact CE1-CB 3.8Å; F303-F307 HydrophobicContact CE1-CD1 4.4Å; F303-F307 HydrophobicContact CE1-CD2 4.18Å; F303-F307 AromaticContact CE1-CG 3.88Å; F303-F307 HydrophobicContact CE1-CG 3.88Å; F303-F307 HydrophobicContact CZ-CB 4.11Å; F303-F307 AromaticContact CZ-CD2 3.82Å; F303-F307 HydrophobicContact CZ-CD2 3.82Å; F303-F307 HydrophobicContact CZ-CE2 4.48Å; F303-F307 HydrophobicContact CZ-CG 4.01Å; F303-F307 WeakPolarHBondContact O-CB 3.43Å; F303-F307 PolarHBondContact O-N 2.6Å; F303-V399 HydrophobicContact CD1-CG1 4.14Å; F303-V399 HydrophobicContact CE1-CG1 4.06Å
304L98.9Very high98.7Very high20 Ų2058.3 Ų58.311%0.10529%0.288CS..Hα-helixtrans-60.7-44.5-176.8-179.862.2000111.3Y300 S301 F307 V308 V377 V399Y300-L304 HydrophobicContact CE1-CD2 4.2Å; Y300-L304 VanDerWaalsContact O-CB 3.31Å; Y300-L304 WeakPolarHBondContact O-CB 3.36Å; Y300-L304 PolarHBondContact O-N 2.84Å; S301-L304 PolarHBondContact O-N 2.92Å; L304-F307 PolarHBondContact O-N 2.79Å; L304-V308 HydrophobicContact CD1-CG2 3.99Å; L304-V308 HydrophobicContact CG-CG2 4.45Å; L304-V308 WeakPolarHBondContact O-CB 3.41Å; L304-V308 WeakPolarHBondContact O-CG2 3.44Å; L304-V308 PolarHBondContact O-N 2.75Å; L304-V377 HydrophobicContact CD1-CG1 4.29Å; L304-V399 HydrophobicContact CD1-CB 4.08Å; L304-V399 HydrophobicContact CD1-CG1 4.27Å; L304-V399 HydrophobicContact CD1-CG2 4.18Å
305E98.8Very high98.6Very high149 Ų14963.7 Ų63.770%0.69631%0.311SS*.Hα-helixtrans-59.6-51.9176.6-174.7-176.4165.400111.6S301 F303 F307 V308 A309S301-E305 PolarHBondContact O-N 2.56Å; S301-E305 VanDerWaalsContact O-N 3.08Å; F303-E305 VanDerWaalsContact C-N 3.34Å; F303-E305 PolarHBondContact O-N 2.82Å; E305-F307 VanDerWaalsContact C-N 3.34Å; E305-F307 PolarHBondContact O-N 2.96Å; E305-V308 PolarHBondContact O-N 2.88Å; E305-A309 WeakPolarHBondContact O-CB 3.45Å; E305-A309 PolarHBondContact O-N 3.24Å
306K98.8Very high98.5Very high100 Ų10064.2 Ų64.244%0.43532%0.315SS..Hα-helixtrans-62.5-41.3179.2-70.7176.9-171.4-76.70112L268 V272 E302 F303 A309 A310L268-K306 HydrophobicContact CD2-CD 3.9Å; L268-K306 HydrophobicContact CG-CD 4.26Å; V272-K306 HydrophobicContact CG2-CB 4.23Å; E302-K306 HydrophobicContact CG-CD 4.13Å; E302-K306 VanDerWaalsContact CG-CE 3.44Å; E302-K306 WeakPolarHBondContact O-CG 3.44Å; E302-K306 PolarHBondContact O-N 3.16Å; E302-K306 VanDerWaalsContact O-N 3.08Å; E302-K306 WeakPolarHBondContact OE1-CE 3.37Å; E302-K306 IonicContact OE1-NZ 2.96Å; F303-K306 PolarHBondContact O-N 3.5Å; K306-A309 PolarHBondContact O-N 3.26Å; K306-A310 WeakPolarHBondContact O-CB 3.33Å; K306-A310 PolarHBondContact O-N 3.31Å
307F98.9Very high98.5Very high0 Ų062.1 Ų62.10%031%0.306CS..Hα-helixtrans-67.3-44.4-179.1-172.7-104.2000111.6V272 T275 I276 F280 I293 F303 L304 E305 A309 A310 A311 V377 T397 V399V272-F307 HydrophobicContact CG1-CD2 4.46Å; T275-F307 HydrophobicContact CG2-CD2 4.4Å; T275-F307 HydrophobicContact CG2-CE2 3.65Å; T275-F307 HydrophobicContact CG2-CZ 4.17Å; I276-F307 HydrophobicContact CB-CE2 4.48Å; I276-F307 HydrophobicContact CD1-CD2 3.63Å; I276-F307 HydrophobicContact CD1-CE1 4.47Å; I276-F307 HydrophobicContact CD1-CE2 3.39Å; I276-F307 HydrophobicContact CD1-CG 4.27Å; I276-F307 HydrophobicContact CD1-CZ 3.86Å; I276-F307 HydrophobicContact CG1-CD2 3.92Å; I276-F307 HydrophobicContact CG1-CE2 3.73Å; F280-F307 HydrophobicContact CE2-CE1 4.43Å; F280-F307 HydrophobicContact CE2-CZ 4.02Å; F280-F307 HydrophobicContact CZ-CE1 4.44Å; F280-F307 HydrophobicContact CZ-CZ 4.33Å; I293-F307 HydrophobicContact CD1-CE1 3.8Å; I293-F307 HydrophobicContact CD1-CE2 4.14Å; I293-F307 HydrophobicContact CD1-CZ 3.56Å; F303-F307 HydrophobicContact CD1-CB 4.18Å; F303-F307 HydrophobicContact CE1-CB 3.8Å; F303-F307 HydrophobicContact CE1-CD1 4.4Å; F303-F307 HydrophobicContact CE1-CD2 4.18Å; F303-F307 AromaticContact CE1-CG 3.88Å; F303-F307 HydrophobicContact CE1-CG 3.88Å; F303-F307 HydrophobicContact CZ-CB 4.11Å; F303-F307 AromaticContact CZ-CD2 3.82Å; F303-F307 HydrophobicContact CZ-CD2 3.82Å; F303-F307 HydrophobicContact CZ-CE2 4.48Å; F303-F307 HydrophobicContact CZ-CG 4.01Å; F303-F307 WeakPolarHBondContact O-CB 3.43Å; F303-F307 PolarHBondContact O-N 2.6Å; L304-F307 PolarHBondContact O-N 2.79Å; E305-F307 VanDerWaalsContact C-N 3.34Å; E305-F307 PolarHBondContact O-N 2.96Å; F307-A309 PolarHBondContact O-N 2.78Å; F307-A310 PolarHBondContact O-N 2.87Å; F307-A311 WeakPolarHBondContact O-CB 3.24Å; F307-A311 PolarHBondContact O-N 3.15Å; F307-V377 HydrophobicContact CD1-CG1 4.04Å; F307-V377 HydrophobicContact CD1-CG2 3.97Å; F307-V377 HydrophobicContact CE1-CG1 4.14Å; F307-V377 HydrophobicContact CE1-CG2 3.69Å; F307-T397 HydrophobicContact CE1-CG2 3.62Å; F307-T397 HydrophobicContact CZ-CG2 3.9Å; F307-V399 HydrophobicContact CD1-CG2 4.22Å; F307-V399 HydrophobicContact CE1-CG2 4.32Å
308V98.9Very high98.4Very high14 Ų1456.3 Ų56.39%0.08529%0.286CS..Hα-helixtrans-62.9-42.9174.7170.60000110.9L304 E305 A310 A311 R312 H353 C354 V377L304-V308 HydrophobicContact CD1-CG2 3.99Å; L304-V308 HydrophobicContact CG-CG2 4.45Å; L304-V308 WeakPolarHBondContact O-CB 3.41Å; L304-V308 WeakPolarHBondContact O-CG2 3.44Å; L304-V308 PolarHBondContact O-N 2.75Å; E305-V308 PolarHBondContact O-N 2.88Å; V308-A310 VanDerWaalsContact C-N 3.31Å; V308-A310 PolarHBondContact O-N 2.82Å; V308-A311 PolarHBondContact O-N 3.05Å; V308-R312 PolarHBondContact O-N 3.11Å; V308-R312 VanDerWaalsContact O-N 3.08Å; V308-H353 HydrophobicContact CB-CB 4.44Å; V308-H353 HydrophobicContact CG1-CB 3.99Å; V308-H353 HydrophobicContact CG2-CB 3.51Å; V308-C354 HydrophobicContact CG1-CB 4.23Å; V308-V377 HydrophobicContact CG2-CB 4.23Å; V308-V377 HydrophobicContact CG2-CG1 3.97Å
309A98.7Very high98.4Very high47 Ų4752.5 Ų52.539%0.38826%0.259SS..Hα-helixtrans-62-38.7176.500000112.3E305 K306 F307 K313E305-A309 WeakPolarHBondContact O-CB 3.45Å; E305-A309 PolarHBondContact O-N 3.24Å; K306-A309 PolarHBondContact O-N 3.26Å; F307-A309 PolarHBondContact O-N 2.78Å; A309-K313 WeakPolarHBondContact O-CG 3.47Å
310A98.7Very high98.3Very high27 Ų2755.9 Ų55.922%0.22329%0.285CS..Hα-helixtrans-72.3-37.5175.500000112.3V272 I276 K306 F307 V308 R312 K313 W314V272-A310 HydrophobicContact CG1-CB 3.97Å; I276-A310 HydrophobicContact CD1-CB 3.82Å; I276-A310 HydrophobicContact CG1-CB 3.7Å; K306-A310 WeakPolarHBondContact O-CB 3.33Å; K306-A310 PolarHBondContact O-N 3.31Å; F307-A310 PolarHBondContact O-N 2.87Å; V308-A310 VanDerWaalsContact C-N 3.31Å; V308-A310 PolarHBondContact O-N 2.82Å; A310-R312 PolarHBondContact O-N 3.41Å; A310-K313 WeakPolarHBondContact O-CB 3.01Å; A310-K313 PolarHBondContact O-N 2.81Å; A310-W314 PolarHBondContact O-N 2.83Å
311A98.6Very high98.1Very high1 Ų157 Ų571%0.00829%0.294CS..Hα-helixtrans-61.8-41.4177.100000112I276 F280 F307 V308 K313 W314 P375 V377I276-A311 HydrophobicContact CD1-CB 3.88Å; F280-A311 HydrophobicContact CE2-CB 3.88Å; F280-A311 HydrophobicContact CZ-CB 4.32Å; F307-A311 WeakPolarHBondContact O-CB 3.24Å; F307-A311 PolarHBondContact O-N 3.15Å; V308-A311 PolarHBondContact O-N 3.05Å; A311-K313 PolarHBondContact O-N 2.82Å; A311-W314 WeakPolarHBondContact O-CB 3.33Å; A311-W314 PolarHBondContact O-N 2.93Å; A311-P375 HydrophobicContact CB-CB 4.47Å; A311-V377 HydrophobicContact CB-CG2 3.77Å
312R98Very high98Very high142 Ų14257.5 Ų57.554%0.53630%0.295SS..Hα-helixtrans-63.7-23.4173.8-72.9-175.3179.2143.45.6113.9V308 A310 H353 C354 D359V308-R312 PolarHBondContact O-N 3.11Å; V308-R312 VanDerWaalsContact O-N 3.08Å; A310-R312 PolarHBondContact O-N 3.41Å; R312-H353 PolarHBondContact NH2-O 3.09Å; R312-C354 HydrophobicContact CG-CB 3.74Å; R312-D359 IonicContact NE-OD1 3.48Å; R312-D359 IonicContact NE-OD2 2.83Å
313K97.8Very high97.8Very high162 Ų16255.9 Ų55.970%0.70429%0.294SS*.Hα-helixtrans-84-14.7175.2-66.7175.9-176.4178.80112.9A309 A310 A311 K315A309-K313 WeakPolarHBondContact O-CG 3.47Å; A310-K313 WeakPolarHBondContact O-CB 3.01Å; A310-K313 PolarHBondContact O-N 2.81Å; A311-K313 PolarHBondContact O-N 2.82Å; K313-K315 PolarHBondContact O-N 2.92Å; K313-K315 VanDerWaalsContact O-N 3.12Å
314W97.7Very high97.8Very high43 Ų4356.8 Ų56.816%0.16330%0.299CS..SBendtrans-78.593.1177.4-170.4-86.9000109.8I276 R277 F280 A310 A311 N325 N326 P375I276-W314 HydrophobicContact CG2-CB 4.35Å; I276-W314 HydrophobicContact CG2-CD2 3.93Å; I276-W314 HydrophobicContact CG2-CE3 3.43Å; I276-W314 VanDerWaalsContact CG2-CE3 3.43Å; I276-W314 HydrophobicContact CG2-CG 4.36Å; I276-W314 HydrophobicContact CG2-CZ3 4.03Å; R277-W314 HydrophobicContact CB-CH2 4.49Å; R277-W314 HydrophobicContact CG-CH2 4.06Å; F280-W314 HydrophobicContact CB-CD2 4.5Å; F280-W314 HydrophobicContact CB-CG 4.32Å; A310-W314 PolarHBondContact O-N 2.83Å; A311-W314 WeakPolarHBondContact O-CB 3.33Å; A311-W314 PolarHBondContact O-N 2.93Å; W314-N325 HydrophobicContact CD2-CB 3.52Å; W314-N325 HydrophobicContact CE3-CB 4.04Å; W314-N325 HydrophobicContact CG-CB 3.86Å; W314-N325 HydrophobicContact CH2-CB 4.2Å; W314-N325 HydrophobicContact CZ2-CB 3.71Å; W314-N325 HydrophobicContact CZ3-CB 4.35Å; W314-N326 PolarHBondContact NE1-ND2 2.82Å; W314-N326 PolarHBondContact NE1-OD1 2.82Å; W314-P375 HydrophobicContact CB-CG 4.05Å; W314-P375 HydrophobicContact CG-CG 4.18Å; W314-P375 WeakPolarHBondContact O-CG 3.42Å
315K97.1Very high97.7Very high113 Ų11358.7 Ų58.749%0.49131%0.309SS..  trans-71.3135.5-168.1-66.8-177-179.2-179.40112K313 N325 N326K313-K315 PolarHBondContact O-N 2.92Å; K313-K315 VanDerWaalsContact O-N 3.12Å; K315-N325 PolarHBondContact N-OD1 3.43Å; K315-N325 WeakPolarHBondContact O-CA 3.49Å; K315-N325 WeakPolarHBondContact O-CB 3.26Å; K315-N325 PolarHBondContact O-N 3.09Å; K315-N326 PolarHBondContact O-N 3.42Å
316T98.2Very high97.6Very high12 Ų1251.7 Ų51.77%0.07428%0.276CS..BIsolated β-bridgetrans-111.7133.2170.7-60.10000108.7N326 L361 F372T316-N326 WeakPolarHBondContact CA-O 3.48Å; T316-N326 HydrophobicContact CG2-CB 4.44Å; T316-L361 HydrophobicContact CG2-CD2 4.28Å; T316-L361 WeakPolarHBondContact O-CD1 3.27Å; T316-F372 HydrophobicContact CG2-CB 4.26Å; T316-F372 HydrophobicContact CG2-CD1 4.02Å
317G97.7Very high97.6Very high4 Ų447 Ų474%0.04126%0.256CS..  trans178.2-162.5-179.600000113.2N324 N326 G327 F372G317-N324 VanDerWaalsContact C-ND2 3.26Å; G317-N324 WeakPolarHBondContact CA-ND2 3.11Å; G317-N326 PolarHBondContact N-O 3.26Å; G317-G327 WeakPolarHBondContact O-CA 3.41Å; G317-F372 WeakPolarHBondContact O-CE1 3.21Å
318A97.8Very high97.6Very high8 Ų847 Ų477%0.06626%0.256CS..  trans-51126.1-178.700000111.8S320 D321 N324 P364A318-S320 PolarHBondContact O-N 3.39Å; A318-S320 VanDerWaalsContact O-N 3.14Å; A318-D321 PolarHBondContact O-N 2.87Å; A318-D321 VanDerWaalsContact O-N 3.1Å; A318-N324 PolarHBondContact N-ND2 2.78Å; A318-N324 VanDerWaalsContact N-ND2 3.18Å; A318-N324 PolarHBondContact O-ND2 3.48Å; A318-P364 HydrophobicContact CB-CG 4.41Å
319P97.6Very high97.6Very high9 Ų946.3 Ų46.36%0.05825%0.252CS..THydrogen-bonded Turntrans-60.7-24.2-176.4-29.637.4000115.8G96 K97 T98 V99G96-P319 WeakPolarHBondContact O-CG 3.2Å; K97-P319 WeakPolarHBondContact O-CB 3.27Å; T98-P319 WeakPolarHBondContact CA-O 3.31Å; V99-P319 PolarHBondContact N-O 2.95Å
320S96.2Very high97.5Very high96 Ų9644.4 Ų44.467%0.67124%0.235SC*.THydrogen-bonded Turntrans-78.9-17.3179.458.30000113.8A318 P322A318-S320 PolarHBondContact O-N 3.39Å; A318-S320 VanDerWaalsContact O-N 3.14Å; S320-P322 WeakPolarHBondContact O-CD 3.35Å
321D96.6Very high97.5Very high64 Ų6443.7 Ų43.734%0.34223%0.229SC..  trans-84.3115.5177.8176.8-10.4000109.4A318 S323 N324A318-D321 PolarHBondContact O-N 2.87Å; A318-D321 VanDerWaalsContact O-N 3.1Å; D321-S323 VanDerWaalsContact CG-OG 3.25Å; D321-S323 PolarHBondContact O-N 3.05Å; D321-S323 VanDerWaalsContact O-N 3.13Å; D321-S323 VanDerWaalsContact OD1-CB 3.26Å; D321-S323 WeakPolarHBondContact OD1-CB 3.32Å; D321-S323 PolarHBondContact OD1-N 2.72Å; D321-S323 PolarHBondContact OD1-OG 3.23Å; D321-S323 PolarHBondContact OD2-OG 3.14Å; D321-N324 WeakPolarHBondContact CB-ND2 3.21Å; D321-N324 PolarHBondContact O-N 2.81Å; D321-N324 VanDerWaalsContact O-N 3.13Å
322P94.8Very high97.5Very high102 Ų10248.8 Ų48.866%0.66225%0.251SS*.THydrogen-bonded Turntrans-68.5-11.5-175.930.2-36.7000113.5S320 N324S320-P322 WeakPolarHBondContact O-CD 3.35Å; P322-N324 VanDerWaalsContact C-N 3.31Å
323S95.9Very high97.5Very high61 Ų6148.2 Ų48.243%0.42725%0.254SS..THydrogen-bonded Turntrans-80-13.1175.678.70000113.5D321D321-S323 VanDerWaalsContact CG-OG 3.25Å; D321-S323 PolarHBondContact O-N 3.05Å; D321-S323 VanDerWaalsContact O-N 3.13Å; D321-S323 VanDerWaalsContact OD1-CB 3.26Å; D321-S323 WeakPolarHBondContact OD1-CB 3.32Å; D321-S323 PolarHBondContact OD1-N 2.72Å; D321-S323 PolarHBondContact OD1-OG 3.23Å; D321-S323 PolarHBondContact OD2-OG 3.14Å
324N97.8Very high97.6Very high19 Ų1941.4 Ų41.410%0.10223%0.225CC..  trans-83137.7174.8-68.8-39.8000111T98 G317 A318 D321 P322T98-N324 HydrophobicContact CG2-CB 4.46Å; G317-N324 VanDerWaalsContact C-ND2 3.26Å; G317-N324 WeakPolarHBondContact CA-ND2 3.11Å; A318-N324 PolarHBondContact N-ND2 2.78Å; A318-N324 VanDerWaalsContact N-ND2 3.18Å; A318-N324 PolarHBondContact O-ND2 3.48Å; D321-N324 WeakPolarHBondContact CB-ND2 3.21Å; D321-N324 PolarHBondContact O-N 2.81Å; D321-N324 VanDerWaalsContact O-N 3.13Å; P322-N324 VanDerWaalsContact C-N 3.31Å
325N97.7Very high97.6Very high60 Ų6039.7 Ų39.732%0.32122%0.219SC..SBendtrans-85.3-36.2174.8-58.5101.2000111.5W314 K315W314-N325 HydrophobicContact CD2-CB 3.52Å; W314-N325 HydrophobicContact CE3-CB 4.04Å; W314-N325 HydrophobicContact CG-CB 3.86Å; W314-N325 HydrophobicContact CH2-CB 4.2Å; W314-N325 HydrophobicContact CZ2-CB 3.71Å; W314-N325 HydrophobicContact CZ3-CB 4.35Å; K315-N325 PolarHBondContact N-OD1 3.43Å; K315-N325 WeakPolarHBondContact O-CA 3.49Å; K315-N325 WeakPolarHBondContact O-CB 3.26Å; K315-N325 PolarHBondContact O-N 3.09Å
326N96.4Very high97.7Very high1 Ų139.2 Ų39.21%0.00522%0.218CC..BIsolated β-bridgetrans-125.8148.1-179.7-82.7-9.4000111.9F280 Q283 W314 K315 T316 G317F280-N326 VanDerWaalsContact O-CG 3.29Å; F280-N326 PolarHBondContact O-ND2 3.47Å; F280-N326 PolarHBondContact O-OD1 3.42Å; Q283-N326 HydrophobicContact CG-CB 4.09Å; Q283-N326 PolarHBondContact N-OD1 2.81Å; W314-N326 PolarHBondContact NE1-ND2 2.82Å; W314-N326 PolarHBondContact NE1-OD1 2.82Å; K315-N326 PolarHBondContact O-N 3.42Å; T316-N326 WeakPolarHBondContact CA-O 3.48Å; T316-N326 HydrophobicContact CG2-CB 4.44Å; G317-N326 PolarHBondContact N-O 3.26Å
327G98.1Very high97.7Very high1 Ų142.3 Ų42.31%0.0123%0.231CC..  trans-102.1-144.4169.300000112.6G96 Q283 G317G96-G327 CarbonylContact O-C 3.49Å; G96-G327 VanDerWaalsContact O-CA 3.25Å; G96-G327 WeakPolarHBondContact O-CA 3.13Å; Q283-G327 VanDerWaalsContact CG-O 3.3Å; Q283-G327 WeakPolarHBondContact CG-O 3.34Å; G317-G327 WeakPolarHBondContact O-CA 3.41Å
328A98.4Very high97.8Very high0 Ų042.1 Ų42.10%023%0.229CC..  trans-86.1152.2179.900000111.6P30 G96 Q283 F372P30-A328 HydrophobicContact CB-CB 4.06Å; P30-A328 VanDerWaalsContact O-CB 3.29Å; P30-A328 WeakPolarHBondContact O-CB 3.48Å; G96-A328 CarbonylContact C-O 3.56Å; G96-A328 PolarHBondContact O-N 2.84Å; Q283-A328 PolarHBondContact NE2-O 2.83Å; A328-F372 HydrophobicContact CB-CD1 3.92Å; A328-F372 HydrophobicContact CB-CD2 4.41Å; A328-F372 HydrophobicContact CB-CE1 3.72Å; A328-F372 HydrophobicContact CB-CE2 4.24Å; A328-F372 HydrophobicContact CB-CG 4.27Å; A328-F372 HydrophobicContact CB-CZ 3.91Å
329L98.8Very high97.8Very high1 Ų146.4 Ų46.41%0.00524%0.243CC..  trans-67.8156.5164.4-72.4129.3000109.8P30 Q283 E285 S331 L335 V338 Y371 M373P30-L329 VanDerWaalsContact CB-O 3.23Å; P30-L329 WeakPolarHBondContact CB-O 3.32Å; Q283-L329 HydrophobicContact CB-CG 4.31Å; E285-L329 HydrophobicContact CG-CD2 4.12Å; E285-L329 WeakPolarHBondContact OE1-CA 3.48Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 2.9Å; L329-S331 VanDerWaalsContact O-N 3.14Å; L329-L335 HydrophobicContact CD1-CB 4.36Å; L329-L335 HydrophobicContact CD1-CD1 3.58Å; L329-V338 HydrophobicContact CD2-CG2 4.13Å; L329-Y371 WeakPolarHBondContact CB-O 3.02Å; L329-Y371 PolarHBondContact N-O 3.47Å; L329-M373 HydrophobicContact CD1-CB 3.57Å; L329-M373 HydrophobicContact CD1-SD 4.45Å
330I98.6Very high97.9Very high6 Ų649.1 Ų49.13%0.03126%0.263CS..SBendtrans-60.6-30.3-168.4-17457.2000115.5P30 Q95 W154 M182 T183 E285 H334P30-I330 HydrophobicContact CG-CD1 4.16Å; P30-I330 WeakPolarHBondContact CG-O 3.19Å; Q95-I330 HydrophobicContact CB-CD1 4.5Å; Q95-I330 HydrophobicContact CG-CD1 4.19Å; Q95-I330 WeakPolarHBondContact O-CD1 3.39Å; W154-I330 HydrophobicContact CB-CD1 4.5Å; W154-I330 HydrophobicContact CB-CG1 4.24Å; W154-I330 HydrophobicContact CD2-CB 4.12Å; W154-I330 HydrophobicContact CD2-CG1 3.91Å; W154-I330 HydrophobicContact CD2-CG2 3.83Å; W154-I330 HydrophobicContact CE3-CB 3.5Å; W154-I330 HydrophobicContact CE3-CD1 4.38Å; W154-I330 HydrophobicContact CE3-CG1 3.63Å; W154-I330 HydrophobicContact CE3-CG2 3.53Å; W154-I330 HydrophobicContact CG-CG1 4.18Å; W154-I330 HydrophobicContact CH2-CB 4.17Å; W154-I330 HydrophobicContact CH2-CG2 3.4Å; W154-I330 HydrophobicContact CZ2-CG2 3.74Å; W154-I330 HydrophobicContact CZ3-CB 3.55Å; W154-I330 HydrophobicContact CZ3-CG1 4.22Å; W154-I330 HydrophobicContact CZ3-CG2 3.32Å; M182-I330 HydrophobicContact CB-CD1 4.3Å; M182-I330 HydrophobicContact CB-CG1 4.18Å; M182-I330 HydrophobicContact CE-CB 4.44Å; M182-I330 HydrophobicContact CE-CG1 3.65Å; M182-I330 HydrophobicContact CE-CG2 4Å; M182-I330 HydrophobicContact SD-CG1 4.26Å; T183-I330 HydrophobicContact CG2-CD1 3.42Å; T183-I330 VanDerWaalsContact CG2-CD1 3.42Å; T183-I330 HydrophobicContact CG2-CG1 4.48Å; E285-I330 PolarHBondContact OE1-N 2.61Å; I330-H334 HydrophobicContact CG2-CB 3.96Å
331S98.5Very high98Very high13 Ų1345 Ų459%0.09123%0.233CC..  trans-154.4161.6-175.459.20000112.4M182 L329 E333 H334 L335M182-S331 WeakPolarHBondContact CE-OG 3.29Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 2.9Å; L329-S331 VanDerWaalsContact O-N 3.14Å; S331-E333 VanDerWaalsContact C-N 3.35Å; S331-H334 PolarHBondContact O-N 3.15Å; S331-H334 WeakPolarHBondContact OG-CB 3.48Å; S331-H334 PolarHBondContact OG-N 2.77Å; S331-H334 VanDerWaalsContact OG-N 3.15Å; S331-L335 PolarHBondContact O-N 3Å
332K98.3Very high98.1Very high108 Ų10842.4 Ų42.447%0.4722%0.219SC..Hα-helixtrans-60-46.2173.9-176.7178.7173.7-176.40111.3H334 L335 E336 Y371K332-H334 VanDerWaalsContact C-N 3.28Å; K332-H334 PolarHBondContact O-N 2.99Å; K332-L335 PolarHBondContact O-N 3.09Å; K332-E336 WeakPolarHBondContact CE-OE1 3.4Å; K332-E336 WeakPolarHBondContact O-CG 3.49Å; K332-E336 PolarHBondContact O-N 3.45Å; K332-Y371 HydrophobicContact CB-CD1 4.1Å; K332-Y371 HydrophobicContact CB-CE1 3.82Å
333E98.5Very high98.3Very high130 Ų13040.5 Ų40.561%0.60721%0.212SC*.Hα-helixtrans-61.5-39.6179.5-64.574.1-16600111S331 E336 K337S331-E333 VanDerWaalsContact C-N 3.35Å; E333-E336 PolarHBondContact O-N 2.85Å; E333-K337 WeakPolarHBondContact O-CB 3.15Å; E333-K337 PolarHBondContact O-N 3.25Å
334H98.8Very high98.4Very high18 Ų1839.3 Ų39.38%0.08320%0.201CC..Hα-helixtrans-70-41.7176.8-170.854.3000112.1W154 E285 I330 S331 K332 E336 K337 V338 F393W154-H334 AromaticContact CH2-CD2 3.89Å; W154-H334 AromaticContact CH2-NE2 3.8Å; E285-H334 IonicContact OE1-CD2 2.84Å; E285-H334 PolarHBondContact OE1-CD2 3.21Å; E285-H334 IonicContact OE1-NE2 3.63Å; I330-H334 HydrophobicContact CG2-CB 3.96Å; S331-H334 PolarHBondContact O-N 3.15Å; S331-H334 WeakPolarHBondContact OG-CB 3.48Å; S331-H334 PolarHBondContact OG-N 2.77Å; S331-H334 VanDerWaalsContact OG-N 3.15Å; K332-H334 VanDerWaalsContact C-N 3.28Å; K332-H334 PolarHBondContact O-N 2.99Å; H334-E336 VanDerWaalsContact C-N 3.34Å; H334-E336 PolarHBondContact O-N 3.28Å; H334-K337 WeakPolarHBondContact O-CB 3.39Å; H334-K337 PolarHBondContact O-N 2.79Å; H334-V338 WeakPolarHBondContact O-CG2 3.33Å; H334-V338 PolarHBondContact O-N 3.37Å; H334-F393 PolarHBondContact CE1-O 3.31Å; H334-F393 PolarHBondContact NE2-O 3.26Å
335L98.8Very high98.4Very high8 Ų838.4 Ų38.44%0.04220%0.196CC..Hα-helixtrans-58.1-45.4172.2172.662.9000111.8L329 S331 K332 V338 R339 M373L329-L335 HydrophobicContact CD1-CB 4.36Å; L329-L335 HydrophobicContact CD1-CD1 3.58Å; S331-L335 PolarHBondContact O-N 3Å; K332-L335 PolarHBondContact O-N 3.09Å; L335-V338 PolarHBondContact O-N 3.12Å; L335-R339 HydrophobicContact CD1-CG 4.17Å; L335-R339 WeakPolarHBondContact O-CB 3.4Å; L335-R339 WeakPolarHBondContact O-CG 3.24Å; L335-R339 PolarHBondContact O-N 3.24Å; L335-M373 HydrophobicContact CD1-CB 3.83Å; L335-M373 HydrophobicContact CD1-CG 4.48Å; L335-M373 HydrophobicContact CD1-SD 4.4Å
336E98.6Very high98.4Very high102 Ų10242.2 Ų42.248%0.47721%0.209SC..Hα-helixtrans-62.1-42.4176.8-73.1173.6179.200111.7K332 E333 H334 V338 R339 S340K332-E336 WeakPolarHBondContact CE-OE1 3.4Å; K332-E336 WeakPolarHBondContact O-CG 3.49Å; K332-E336 PolarHBondContact O-N 3.45Å; E333-E336 PolarHBondContact O-N 2.85Å; H334-E336 VanDerWaalsContact C-N 3.34Å; H334-E336 PolarHBondContact O-N 3.28Å; E336-V338 PolarHBondContact O-N 3.47Å; E336-R339 PolarHBondContact O-N 2.98Å; E336-S340 WeakPolarHBondContact O-CB 3.32Å; E336-S340 PolarHBondContact O-N 2.93Å
337K98.6Very high98.5Very high78 Ų7846.5 Ų46.534%0.33924%0.239SC..Hα-helixtrans-56.1-52.2171.9179.9-155.3171.5-153.50110.5E333 H334 R339 S340 F341 E391 I392E333-K337 WeakPolarHBondContact O-CB 3.15Å; E333-K337 PolarHBondContact O-N 3.25Å; H334-K337 WeakPolarHBondContact O-CB 3.39Å; H334-K337 PolarHBondContact O-N 2.79Å; K337-R339 PolarHBondContact O-N 2.78Å; K337-S340 WeakPolarHBondContact O-CB 3.36Å; K337-S340 PolarHBondContact O-N 3.38Å; K337-S340 PolarHBondContact O-OG 2.92Å; K337-F341 HydrophobicContact CG-CE2 4.24Å; K337-F341 WeakPolarHBondContact O-CD2 3.29Å; K337-F341 PolarHBondContact O-N 3Å; K337-E391 PolarHBondContact NZ-O 3.31Å; K337-E391 VanDerWaalsContact NZ-O 3.1Å; K337-I392 PolarHBondContact NZ-O 3.18Å
338V98.8Very high98.4Very high0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-63-45.1-177.1178.40000111L329 H334 L335 E336 S340 F341 V342 M373 I392 V396L329-V338 HydrophobicContact CD2-CG2 4.13Å; H334-V338 WeakPolarHBondContact O-CG2 3.33Å; H334-V338 PolarHBondContact O-N 3.37Å; L335-V338 PolarHBondContact O-N 3.12Å; E336-V338 PolarHBondContact O-N 3.47Å; V338-S340 VanDerWaalsContact C-N 3.26Å; V338-S340 PolarHBondContact O-N 3.09Å; V338-F341 PolarHBondContact O-N 2.91Å; V338-F341 VanDerWaalsContact O-N 3.1Å; V338-V342 PolarHBondContact O-N 2.89Å; V338-M373 HydrophobicContact CB-SD 4.16Å; V338-M373 HydrophobicContact CG1-CE 3.78Å; V338-M373 HydrophobicContact CG1-SD 3.36Å; V338-M373 WeakPolarHBondContact CG1-SD 3.33Å; V338-I392 HydrophobicContact CB-CG2 4.28Å; V338-I392 HydrophobicContact CG1-CG2 3.8Å; V338-I392 HydrophobicContact CG2-CG2 4.13Å; V338-V396 HydrophobicContact CG1-CG2 3.65Å
339R98.7Very high98.3Very high97 Ų9753.3 Ų53.337%0.36629%0.286SS..Hα-helixtrans-57.3-38.6174.4-77.3179.6162.6144.69112.6L335 E336 K337 F341 V342 A343 E356L335-R339 HydrophobicContact CD1-CG 4.17Å; L335-R339 WeakPolarHBondContact O-CB 3.4Å; L335-R339 WeakPolarHBondContact O-CG 3.24Å; L335-R339 PolarHBondContact O-N 3.24Å; E336-R339 PolarHBondContact O-N 2.98Å; K337-R339 PolarHBondContact O-N 2.78Å; R339-F341 VanDerWaalsContact C-N 3.26Å; R339-F341 PolarHBondContact O-N 3.18Å; R339-V342 PolarHBondContact O-N 3.24Å; R339-V342 VanDerWaalsContact O-N 3.16Å; R339-A343 PolarHBondContact O-N 2.95Å; R339-E356 WeakPolarHBondContact CD-OE1 3.39Å; R339-E356 HydrophobicContact CG-CG 4.19Å; R339-E356 IonicContact CZ-OE1 3.21Å; R339-E356 IonicContact NE-OE1 2.8Å; R339-E356 PolarHBondContact NE-OE1 3Å; R339-E356 IonicContact NE-OE2 2.7Å; R339-E356 IonicContact NH2-OE1 3.75Å; R339-E356 IonicContact NH2-OE2 3.63Å
340S98.7Very high98.3Very high66 Ų6653.8 Ų53.846%0.46229%0.291SS..Hα-helixtrans-61.9-32.717881.70000112.9E336 K337 V338 L344E336-S340 WeakPolarHBondContact O-CB 3.32Å; E336-S340 PolarHBondContact O-N 2.93Å; K337-S340 WeakPolarHBondContact O-CB 3.36Å; K337-S340 PolarHBondContact O-N 3.38Å; K337-S340 PolarHBondContact O-OG 2.92Å; V338-S340 VanDerWaalsContact C-N 3.26Å; V338-S340 PolarHBondContact O-N 3.09Å; S340-L344 VanDerWaalsContact O-CB 3.31Å; S340-L344 WeakPolarHBondContact O-CB 3.3Å; S340-L344 PolarHBondContact O-N 3.42Å
341F98.8Very high98.3Very high11 Ų1157.1 Ų57.15%0.04831%0.311CS..Hα-helixtrans-72.1-36.4174.9-83.2-83.7000112.6K337 V338 R339 L344 A345 V387 E390 I392K337-F341 HydrophobicContact CG-CE2 4.24Å; K337-F341 WeakPolarHBondContact O-CD2 3.29Å; K337-F341 PolarHBondContact O-N 3Å; V338-F341 PolarHBondContact O-N 2.91Å; V338-F341 VanDerWaalsContact O-N 3.1Å; R339-F341 VanDerWaalsContact C-N 3.26Å; R339-F341 PolarHBondContact O-N 3.18Å; F341-L344 PolarHBondContact O-N 3.36Å; F341-A345 WeakPolarHBondContact O-CB 3.49Å; F341-A345 PolarHBondContact O-N 3.39Å; F341-V387 HydrophobicContact CD1-CG2 4.3Å; F341-E390 HydrophobicContact CE1-CB 3.95Å; F341-E390 HydrophobicContact CZ-CB 4.02Å; F341-E390 WeakPolarHBondContact CZ-OE2 3.41Å; F341-I392 HydrophobicContact CB-CD1 4.11Å; F341-I392 HydrophobicContact CB-CG1 4.05Å; F341-I392 HydrophobicContact CB-CG2 4.23Å; F341-I392 HydrophobicContact CD1-CD1 4.39Å; F341-I392 HydrophobicContact CD1-CG1 3.91Å; F341-I392 HydrophobicContact CD2-CG1 4.18Å; F341-I392 HydrophobicContact CD2-CG2 4.31Å; F341-I392 HydrophobicContact CE1-CG1 4.4Å; F341-I392 HydrophobicContact CG-CD1 4.32Å; F341-I392 HydrophobicContact CG-CG1 3.79Å; F341-I392 HydrophobicContact CG-CG2 4.39Å
342V98.8Very high98.3Very high9 Ų957.9 Ų57.96%0.05531%0.314CS..Hα-helixtrans-66.6-43.6174.3-178.90000110.4V338 R339 L344 A345 K346 I352 E356 M373 T376 V396V338-V342 PolarHBondContact O-N 2.89Å; R339-V342 PolarHBondContact O-N 3.24Å; R339-V342 VanDerWaalsContact O-N 3.16Å; V342-L344 VanDerWaalsContact C-N 3.34Å; V342-L344 PolarHBondContact O-N 3.09Å; V342-A345 PolarHBondContact O-N 2.89Å; V342-K346 PolarHBondContact O-N 3.48Å; V342-I352 HydrophobicContact CG1-CD1 4.12Å; V342-I352 HydrophobicContact CG1-CG1 4.48Å; V342-E356 HydrophobicContact CG1-CB 4.35Å; V342-E356 HydrophobicContact CG1-CG 4.41Å; V342-M373 HydrophobicContact CG2-CE 3.56Å; V342-T376 HydrophobicContact CG1-CG2 4.21Å; V342-T376 HydrophobicContact CG2-CG2 4.09Å; V342-V396 HydrophobicContact CG2-CG1 4.35Å; V342-V396 HydrophobicContact CG2-CG2 3.9Å
343A98.4Very high98.3Very high61 Ų6155 Ų5550%0.50430%0.302SS..Hα-helixtrans-60.8-42.7174.400000111.8R339 K346 S347R339-A343 PolarHBondContact O-N 2.95Å; A343-K346 PolarHBondContact O-N 2.86Å; A343-S347 PolarHBondContact O-N 3.41Å
344L98.5Very high98.3Very high37 Ų3748.8 Ų48.819%0.19427%0.273CS..Hα-helixtrans-59.4-49.7174.8179.562000111.2S340 F341 V342 K346 S347 E348 R386 V387S340-L344 VanDerWaalsContact O-CB 3.31Å; S340-L344 WeakPolarHBondContact O-CB 3.3Å; S340-L344 PolarHBondContact O-N 3.42Å; F341-L344 PolarHBondContact O-N 3.36Å; V342-L344 VanDerWaalsContact C-N 3.34Å; V342-L344 PolarHBondContact O-N 3.09Å; L344-K346 VanDerWaalsContact C-N 3.3Å; L344-K346 PolarHBondContact O-N 3.19Å; L344-S347 PolarHBondContact O-N 3.34Å; L344-S347 PolarHBondContact O-OG 3.15Å; L344-E348 HydrophobicContact CD1-CG 4.22Å; L344-E348 WeakPolarHBondContact O-CG 3.44Å; L344-E348 PolarHBondContact O-N 2.95Å; L344-R386 HydrophobicContact CD2-CB 3.98Å; L344-V387 HydrophobicContact CD2-CG2 4.26Å; L344-V387 HydrophobicContact CG-CG2 4.31Å
345A98.4Very high98.3Very high0 Ų048 Ų480%027%0.269CS..Hα-helixtrans-55.3-46.6178.300000111.7F341 V342 S347 E348 G349 A350 I352 I378 V387F341-A345 WeakPolarHBondContact O-CB 3.49Å; F341-A345 PolarHBondContact O-N 3.39Å; V342-A345 PolarHBondContact O-N 2.89Å; A345-S347 VanDerWaalsContact C-N 3.34Å; A345-S347 PolarHBondContact O-N 3.24Å; A345-E348 PolarHBondContact O-N 2.93Å; A345-G349 PolarHBondContact O-N 2.98Å; A345-A350 HydrophobicContact CB-CB 4.02Å; A345-A350 WeakPolarHBondContact O-CB 3.21Å; A345-A350 PolarHBondContact O-N 2.9Å; A345-I352 HydrophobicContact CB-CD1 4.38Å; A345-I378 HydrophobicContact CB-CD1 3.83Å; A345-I378 HydrophobicContact CB-CG2 4.13Å; A345-V387 HydrophobicContact CB-CG1 4.29Å; A345-V387 HydrophobicContact CB-CG2 3.89Å
346K97.6Very high98.2Very high140 Ų14049.6 Ų49.661%0.60928%0.276SS*.Hα-helixtrans-61.9-41177.3-172.4175.1-177174.40111.9V342 A343 L344 E348 G349 I352V342-K346 PolarHBondContact O-N 3.48Å; A343-K346 PolarHBondContact O-N 2.86Å; L344-K346 VanDerWaalsContact C-N 3.3Å; L344-K346 PolarHBondContact O-N 3.19Å; K346-E348 VanDerWaalsContact C-N 3.27Å; K346-E348 PolarHBondContact O-N 3.46Å; K346-G349 PolarHBondContact O-N 2.9Å; K346-I352 HydrophobicContact CB-CG1 4.49Å
347S97.5Very high98Very high90 Ų9048 Ų4863%0.62929%0.287SS*.Hα-helixtrans-67.4-26.7177.576.70000113.4A343 L344 A345 G349A343-S347 PolarHBondContact O-N 3.41Å; L344-S347 PolarHBondContact O-N 3.34Å; L344-S347 PolarHBondContact O-OG 3.15Å; A345-S347 VanDerWaalsContact C-N 3.34Å; A345-S347 PolarHBondContact O-N 3.24Å; S347-G349 VanDerWaalsContact C-N 3.26Å; S347-G349 PolarHBondContact O-N 2.81Å
348E96.8Very high97.9Very high87 Ų8747.8 Ų47.841%0.40729%0.292SS..THydrogen-bonded Turntrans-86.67.7175.8-67.6-178.7164.100112.7L344 A345 K346 I381 S385L344-E348 HydrophobicContact CD1-CG 4.22Å; L344-E348 WeakPolarHBondContact O-CG 3.44Å; L344-E348 PolarHBondContact O-N 2.95Å; A345-E348 PolarHBondContact O-N 2.93Å; K346-E348 VanDerWaalsContact C-N 3.27Å; K346-E348 PolarHBondContact O-N 3.46Å; E348-I381 HydrophobicContact CB-CD1 3.89Å; E348-I381 WeakPolarHBondContact OE2-CD1 3.44Å; E348-S385 WeakPolarHBondContact OE2-CB 3.37Å; E348-S385 PolarHBondContact OE2-OG 2.84Å
349G96.4Very high97.7Very high58 Ų5850.7 Ų50.760%0.59831%0.308SS*.THydrogen-bonded Turntrans86.811.2175.200000115.1A345 K346 S347A345-G349 PolarHBondContact O-N 2.98Å; K346-G349 PolarHBondContact O-N 2.9Å; S347-G349 VanDerWaalsContact C-N 3.26Å; S347-G349 PolarHBondContact O-N 2.81Å
350A98Very high97.4Very high11 Ų1153.4 Ų53.49%0.09132%0.324CS..  trans-69.3153.9175.500000112.1A345 I378 S379 I381A345-A350 HydrophobicContact CB-CB 4.02Å; A345-A350 WeakPolarHBondContact O-CB 3.21Å; A345-A350 PolarHBondContact O-N 2.9Å; A350-I378 HydrophobicContact CB-CG2 3.67Å; A350-S379 WeakPolarHBondContact CA-O 3.42Å; A350-S379 WeakPolarHBondContact CB-O 3.37Å; A350-I381 HydrophobicContact CB-CB 4.05Å; A350-I381 HydrophobicContact CB-CD1 3.96Å
351V98.5Very high97.2Very high76 Ų7652.5 Ų52.546%0.46131%0.314SS..EExtended strand (participates in β ladder)trans-94.4124173.5-1790000109.2I378 S379V351-I378 CarbonylContact O-C 3.5Å; V351-I378 WeakPolarHBondContact O-CA 3.29Å; V351-S379 PolarHBondContact N-O 2.83Å; V351-S379 PolarHBondContact O-N 3.11Å
352I98.8Very high96.9Very high28 Ų2858.3 Ų58.314%0.14435%0.346CS..EExtended strand (participates in β ladder)trans-95112.1171.6-44.1-57.4000107.6V342 A345 K346 V358 T376 I378V342-I352 HydrophobicContact CG1-CD1 4.12Å; V342-I352 HydrophobicContact CG1-CG1 4.48Å; A345-I352 HydrophobicContact CB-CD1 4.38Å; K346-I352 HydrophobicContact CB-CG1 4.49Å; I352-V358 HydrophobicContact CB-CG2 3.87Å; I352-V358 HydrophobicContact CG2-CG2 3.68Å; I352-T376 HydrophobicContact CG2-CG2 3.88Å; I352-I378 HydrophobicContact CD1-CB 4.4Å; I352-I378 HydrophobicContact CD1-CD1 3.85Å; I352-I378 HydrophobicContact CD1-CG1 3.72Å; I352-I378 HydrophobicContact CD1-CG2 4.09Å
353H98.7Very high96.8Very high48 Ų4859.7 Ų59.722%0.22235%0.353CS..EExtended strand (participates in β ladder)trans-84.2-32.6-173.4-72-77.9000113.4V308 R312 V377 S379V308-H353 HydrophobicContact CB-CB 4.44Å; V308-H353 HydrophobicContact CG1-CB 3.99Å; V308-H353 HydrophobicContact CG2-CB 3.51Å; R312-H353 PolarHBondContact NH2-O 3.09Å; H353-V377 HydrophobicContact CB-CB 4.39Å; H353-V377 PolarHBondContact N-O 2.55Å; H353-S379 WeakPolarHBondContact NE2-CB 3.44Å; H353-S379 PolarHBondContact NE2-OG 3.46Å
354C98.7Very high96.6Very high0 Ų060.1 Ų60.10%035%0.35CS..EExtended strand (participates in β ladder)trans-158.6170.4179.967.30000110.5V308 R312 D359 P375 T376V308-C354 HydrophobicContact CG1-CB 4.23Å; R312-C354 HydrophobicContact CG-CB 3.74Å; C354-D359 VanDerWaalsContact CA-OD2 3.3Å; C354-D359 WeakPolarHBondContact CA-OD2 3.2Å; C354-D359 VanDerWaalsContact CB-OD2 3.22Å; C354-D359 WeakPolarHBondContact CB-OD2 3.13Å; C354-P375 PolarHBondContact SG-O 2.81Å; C354-T376 WeakPolarHBondContact O-CA 3.48Å
355G97.9Very high96.5Very high0 Ų065.2 Ų65.20%037%0.373CS..SBendtrans84.1-140.8174.700000113.6G357 V358 D359 P375G355-G357 PolarHBondContact O-N 3.3Å; G355-V358 PolarHBondContact O-N 2.94Å; G355-D359 PolarHBondContact N-OD2 3.06Å; G355-D359 PolarHBondContact O-N 3.32Å; G355-P375 VanDerWaalsContact CA-O 3.26Å; G355-P375 WeakPolarHBondContact CA-O 3.26Å
356E97.3Very high96.4Very high43 Ų4368.8 Ų68.820%0.20140%0.403CS..THydrogen-bonded Turntrans-51.3124.4-172.9-176.767.7-165.800113.3R339 V342 V358 M373 T376R339-E356 WeakPolarHBondContact CD-OE1 3.39Å; R339-E356 HydrophobicContact CG-CG 4.19Å; R339-E356 IonicContact CZ-OE1 3.21Å; R339-E356 IonicContact NE-OE1 2.8Å; R339-E356 PolarHBondContact NE-OE1 3Å; R339-E356 IonicContact NE-OE2 2.7Å; R339-E356 IonicContact NH2-OE1 3.75Å; R339-E356 IonicContact NH2-OE2 3.63Å; V342-E356 HydrophobicContact CG1-CB 4.35Å; V342-E356 HydrophobicContact CG1-CG 4.41Å; E356-V358 VanDerWaalsContact C-N 3.26Å; E356-V358 PolarHBondContact O-N 3.46Å; E356-M373 HydrophobicContact CB-CE 3.44Å; E356-M373 VanDerWaalsContact CB-CE 3.44Å; E356-M373 HydrophobicContact CB-CG 4.16Å; E356-M373 HydrophobicContact CG-CE 3.91Å; E356-T376 WeakPolarHBondContact CB-OG1 3.26Å; E356-T376 PolarHBondContact N-OG1 3.01Å
357G93.9Very high96.4Very high68 Ų6862.9 Ų62.970%0.70138%0.378SS*.THydrogen-bonded Turntrans77.63.618000000115.3G355G355-G357 PolarHBondContact O-N 3.3Å
358V96.8Very high96.3Very high73 Ų7364.5 Ų64.544%0.44237%0.373SS..THydrogen-bonded Turntrans-124.5-54.6177.6178.60000111I352 G355 E356I352-V358 HydrophobicContact CB-CG2 3.87Å; I352-V358 HydrophobicContact CG2-CG2 3.68Å; G355-V358 PolarHBondContact O-N 2.94Å; E356-V358 VanDerWaalsContact C-N 3.26Å; E356-V358 PolarHBondContact O-N 3.46Å
359D95.6Very high96.3Very high62 Ų6264.7 Ų64.733%0.33238%0.384SS..SBendtrans-98.3144.8-177.6-62.6-42.3000110.6R312 C354 G355R312-D359 IonicContact NE-OD1 3.48Å; R312-D359 IonicContact NE-OD2 2.83Å; C354-D359 VanDerWaalsContact CA-OD2 3.3Å; C354-D359 WeakPolarHBondContact CA-OD2 3.2Å; C354-D359 VanDerWaalsContact CB-OD2 3.22Å; C354-D359 WeakPolarHBondContact CB-OD2 3.13Å; G355-D359 PolarHBondContact N-OD2 3.06Å; G355-D359 PolarHBondContact O-N 3.32Å
360H91.9Very high96.4Very high154 Ų15462.5 Ų62.571%0.71336%0.361SS*.  trans-82.3138.4173.1-172.1-87.2000110.4D362H360-D362 IonicContact CE1-OD1 2.88Å; H360-D362 PolarHBondContact CE1-OD1 3.06Å; H360-D362 IonicContact ND1-OD1 3.84Å; H360-D362 PolarHBondContact ND1-OD1 3.46Å
361L93.8Very high96.4Very high46 Ų4663.1 Ų63.124%0.24136%0.362CS..  trans-107.5108.4175.3-172.168.2000110T316 L363 F372T316-L361 HydrophobicContact CG2-CD2 4.28Å; T316-L361 WeakPolarHBondContact O-CD1 3.27Å; L361-L363 HydrophobicContact CD2-CD1 4.12Å; L361-L363 HydrophobicContact CD2-CD2 4.02Å; L361-L363 HydrophobicContact CD2-CG 4.11Å; L361-L363 HydrophobicContact CG-CD2 4.08Å; L361-L363 HydrophobicContact CG-CG 4.06Å; L361-F372 HydrophobicContact CD2-CB 3.54Å
362D92.8Very high96.4Very high134 Ų13459.8 Ų59.872%0.71734%0.341SS*.  trans-84113175.4-69.3-40.4000110.5H360H360-D362 IonicContact CE1-OD1 2.88Å; H360-D362 PolarHBondContact CE1-OD1 3.06Å; H360-D362 IonicContact ND1-OD1 3.84Å; H360-D362 PolarHBondContact ND1-OD1 3.46Å
363L96.2Very high96.4Very high38 Ų3858.6 Ų58.620%0.19934%0.335CS..  trans-112.7145178.8-64.8172.6000111.3L361 N367 F372L361-L363 HydrophobicContact CD2-CD1 4.12Å; L361-L363 HydrophobicContact CD2-CD2 4.02Å; L361-L363 HydrophobicContact CD2-CG 4.11Å; L361-L363 HydrophobicContact CG-CD2 4.08Å; L361-L363 HydrophobicContact CG-CG 4.06Å; L363-N367 HydrophobicContact CB-CB 4.4Å; L363-F372 HydrophobicContact CD1-CB 3.97Å; L363-F372 HydrophobicContact CD1-CD2 3.41Å; L363-F372 VanDerWaalsContact CD1-CD2 3.41Å; L363-F372 HydrophobicContact CD1-CE2 4.1Å; L363-F372 HydrophobicContact CD1-CG 3.84Å; L363-F372 HydrophobicContact CD2-CB 4.45Å; L363-F372 HydrophobicContact CD2-CD1 4.26Å; L363-F372 HydrophobicContact CD2-CD2 4.12Å; L363-F372 HydrophobicContact CD2-CE2 4.43Å; L363-F372 HydrophobicContact CD2-CG 4.01Å; L363-F372 HydrophobicContact CG-CD2 4.42Å
364P95.6Very high96.4Very high70 Ų7057 Ų5746%0.45533%0.329SS..  trans-55.2152.3167.7-2333.5000111.8A318 A366 N367 K368A318-P364 HydrophobicContact CB-CG 4.41Å; P364-A366 VanDerWaalsContact C-N 3.25Å; P364-A366 PolarHBondContact O-N 3.36Å; P364-A366 VanDerWaalsContact O-N 3.16Å; P364-N367 PolarHBondContact O-N 2.71Å; P364-K368 PolarHBondContact O-N 3.49Å
365E95.9Very high96.4Very high143 Ų14357.4 Ų57.467%0.66833%0.331SS*.G310 helixtrans-52.4-43.1-176.5-168.262-145.900112.8N367 K368E365-N367 PolarHBondContact O-N 2.99Å; E365-N367 VanDerWaalsContact O-N 3.15Å; E365-K368 PolarHBondContact O-N 3.09Å; E365-K368 IonicContact OE1-NZ 3.09Å; E365-K368 WeakPolarHBondContact OE2-CE 2.75Å; E365-K368 IonicContact OE2-NZ 2.82Å; E365-K368 PolarHBondContact OE2-NZ 3.13Å
366A95.6Very high96.4Very high76 Ų7657.4 Ų57.463%0.62833%0.331SS*.G310 helixtrans-63.7-19.1179.900000114P364P364-A366 VanDerWaalsContact C-N 3.25Å; P364-A366 PolarHBondContact O-N 3.36Å; P364-A366 VanDerWaalsContact O-N 3.16Å
367N97.6Very high96.5Very high15 Ų1555.3 Ų55.38%0.0832%0.322CS..G310 helixtrans-107.5-1.5-175.7-63.4105.7000113.3S31 L363 P364 E365 S369 G370 F372S31-N367 WeakPolarHBondContact O-CA 3.44Å; S31-N367 PolarHBondContact O-ND2 3.38Å; L363-N367 HydrophobicContact CB-CB 4.4Å; P364-N367 PolarHBondContact O-N 2.71Å; E365-N367 PolarHBondContact O-N 2.99Å; E365-N367 VanDerWaalsContact O-N 3.15Å; N367-S369 PolarHBondContact O-N 3.23Å; N367-S369 VanDerWaalsContact O-N 3.17Å; N367-G370 PolarHBondContact O-N 2.92Å; N367-F372 HydrophobicContact CB-CE2 3.81Å; N367-F372 HydrophobicContact CB-CZ 4.06Å; N367-F372 WeakPolarHBondContact O-CE2 3.47Å
368K96.1Very high96.7Very high125 Ų12552.1 Ų52.154%0.54329%0.288SS..THydrogen-bonded Turntrans-60.7-27.3-177.7-76.3-176.1175.2173.90114.2P364 E365P364-K368 PolarHBondContact O-N 3.49Å; E365-K368 PolarHBondContact O-N 3.09Å; E365-K368 IonicContact OE1-NZ 3.09Å; E365-K368 WeakPolarHBondContact OE2-CE 2.75Å; E365-K368 IonicContact OE2-NZ 2.82Å; E365-K368 PolarHBondContact OE2-NZ 3.13Å
369S96.9Very high96.8Very high90 Ų9049 Ų4963%0.62927%0.27SS*.THydrogen-bonded Turntrans-90.1-3.4176.6-62.30000113.6T32 N367T32-S369 CarbonylContact O-C 3.17Å; T32-S369 VanDerWaalsContact O-CB 3.24Å; T32-S369 WeakPolarHBondContact O-CB 3.28Å; N367-S369 PolarHBondContact O-N 3.23Å; N367-S369 VanDerWaalsContact O-N 3.17Å
370G97.9Very high96.8Very high12 Ų1248.8 Ų48.812%0.12428%0.282CS..SBendtrans-78.6170.5178.700000113.6P30 N367 F372P30-G370 CarbonylContact O-C 3.41Å; P30-G370 VanDerWaalsContact O-CA 3.23Å; P30-G370 WeakPolarHBondContact O-CA 3.03Å; N367-G370 PolarHBondContact O-N 2.92Å; G370-F372 PolarHBondContact O-N 3.04Å
371Y98.6Very high97Very high25 Ų2541.7 Ų41.710%0.09825%0.25CC..  trans-9958.3-165.4-44-37.1000112.5P30 G33 L329 K332P30-Y371 HydrophobicContact CB-CD2 3.76Å; P30-Y371 HydrophobicContact CB-CE2 4.17Å; P30-Y371 PolarHBondContact O-N 3.41Å; G33-Y371 WeakPolarHBondContact CA-OH 3.36Å; L329-Y371 WeakPolarHBondContact CB-O 3.02Å; L329-Y371 PolarHBondContact N-O 3.47Å; K332-Y371 HydrophobicContact CB-CD1 4.1Å; K332-Y371 HydrophobicContact CB-CE1 3.82Å
372F98.6Very high97.1Very high6 Ų642.9 Ų42.93%0.02626%0.26CS..  trans-91.5149.4-173.7-58.7-89.6000113.4S31 T316 G317 A328 L361 L363 N367 G370S31-F372 VanDerWaalsContact O-CE2 3.3Å; S31-F372 WeakPolarHBondContact O-CE2 3.41Å; T316-F372 HydrophobicContact CG2-CB 4.26Å; T316-F372 HydrophobicContact CG2-CD1 4.02Å; G317-F372 WeakPolarHBondContact O-CE1 3.21Å; A328-F372 HydrophobicContact CB-CD1 3.92Å; A328-F372 HydrophobicContact CB-CD2 4.41Å; A328-F372 HydrophobicContact CB-CE1 3.72Å; A328-F372 HydrophobicContact CB-CE2 4.24Å; A328-F372 HydrophobicContact CB-CG 4.27Å; A328-F372 HydrophobicContact CB-CZ 3.91Å; L361-F372 HydrophobicContact CD2-CB 3.54Å; L363-F372 HydrophobicContact CD1-CB 3.97Å; L363-F372 HydrophobicContact CD1-CD2 3.41Å; L363-F372 VanDerWaalsContact CD1-CD2 3.41Å; L363-F372 HydrophobicContact CD1-CE2 4.1Å; L363-F372 HydrophobicContact CD1-CG 3.84Å; L363-F372 HydrophobicContact CD2-CB 4.45Å; L363-F372 HydrophobicContact CD2-CD1 4.26Å; L363-F372 HydrophobicContact CD2-CD2 4.12Å; L363-F372 HydrophobicContact CD2-CE2 4.43Å; L363-F372 HydrophobicContact CD2-CG 4.01Å; L363-F372 HydrophobicContact CG-CD2 4.42Å; N367-F372 HydrophobicContact CB-CE2 3.81Å; N367-F372 HydrophobicContact CB-CZ 4.06Å; N367-F372 WeakPolarHBondContact O-CE2 3.47Å; G370-F372 PolarHBondContact O-N 3.04Å
373M98.1Very high97.3Very high3 Ų338.6 Ų38.62%0.01524%0.237CC..  trans-148.8129.3172.4-173.4179.8171.600109.8L329 L335 V338 V342 E356 P395 V396L329-M373 HydrophobicContact CD1-CB 3.57Å; L329-M373 HydrophobicContact CD1-SD 4.45Å; L335-M373 HydrophobicContact CD1-CB 3.83Å; L335-M373 HydrophobicContact CD1-CG 4.48Å; L335-M373 HydrophobicContact CD1-SD 4.4Å; V338-M373 HydrophobicContact CB-SD 4.16Å; V338-M373 HydrophobicContact CG1-CE 3.78Å; V338-M373 HydrophobicContact CG1-SD 3.36Å; V338-M373 WeakPolarHBondContact CG1-SD 3.33Å; V342-M373 HydrophobicContact CG2-CE 3.56Å; E356-M373 HydrophobicContact CB-CE 3.44Å; E356-M373 VanDerWaalsContact CB-CE 3.44Å; E356-M373 HydrophobicContact CB-CG 4.16Å; E356-M373 HydrophobicContact CG-CE 3.91Å; M373-P395 HydrophobicContact CB-CG 4.11Å; M373-P395 HydrophobicContact CG-CG 4.14Å; M373-P395 HydrophobicContact SD-CG 4.16Å; M373-V396 HydrophobicContact CE-CG2 3.61Å
374P97.8Very high97.3Very high15 Ų1541.8 Ų41.810%0.09726%0.262CS..  trans-71.9158.3176.730.9-35.5000111.9T376P374-T376 PolarHBondContact O-N 2.87Å; P374-T376 PolarHBondContact O-OG1 3.45Å
375P98.5Very high97.4Very high7 Ų738.7 Ų38.75%0.04524%0.243CC..  trans-55.2122.7173.7-27.437.3000113F280 A311 W314 C354 G355F280-P375 HydrophobicContact CD1-CB 3.75Å; F280-P375 HydrophobicContact CD1-CG 4.43Å; F280-P375 HydrophobicContact CD2-CB 3.98Å; F280-P375 HydrophobicContact CE1-CB 3.75Å; F280-P375 HydrophobicContact CE2-CB 3.97Å; F280-P375 HydrophobicContact CG-CB 3.87Å; F280-P375 HydrophobicContact CG-CG 4.26Å; F280-P375 HydrophobicContact CZ-CB 3.85Å; A311-P375 HydrophobicContact CB-CB 4.47Å; W314-P375 HydrophobicContact CB-CG 4.05Å; W314-P375 HydrophobicContact CG-CG 4.18Å; W314-P375 WeakPolarHBondContact O-CG 3.42Å; C354-P375 PolarHBondContact SG-O 2.81Å; G355-P375 VanDerWaalsContact CA-O 3.26Å; G355-P375 WeakPolarHBondContact CA-O 3.26Å
376T98.9Very high97.5Very high0 Ų037.9 Ų37.90%023%0.233CC..EExtended strand (participates in β ladder)trans-111.9123.3-176.3-65.50000111.2V342 I352 C354 E356 P374 I378 P395 V396 T397V342-T376 HydrophobicContact CG1-CG2 4.21Å; V342-T376 HydrophobicContact CG2-CG2 4.09Å; I352-T376 HydrophobicContact CG2-CG2 3.88Å; C354-T376 WeakPolarHBondContact O-CA 3.48Å; E356-T376 WeakPolarHBondContact CB-OG1 3.26Å; E356-T376 PolarHBondContact N-OG1 3.01Å; P374-T376 PolarHBondContact O-N 2.87Å; P374-T376 PolarHBondContact O-OG1 3.45Å; T376-I378 HydrophobicContact CG2-CD1 4.23Å; T376-I378 HydrophobicContact CG2-CG1 3.91Å; T376-P395 PolarHBondContact N-O 2.87Å; T376-V396 HydrophobicContact CG2-CG1 4.4Å; T376-V396 WeakPolarHBondContact O-CA 3.04Å; T376-T397 PolarHBondContact O-N 3.32Å
377V98.9Very high97.7Very high0 Ų034.2 Ų34.20%020%0.203CC..EExtended strand (participates in β ladder)trans-110.4124.4176.5-177.50000109.7F280 L304 F307 V308 A311 H353 T397 V399F280-V377 HydrophobicContact CZ-CG2 4Å; L304-V377 HydrophobicContact CD1-CG1 4.29Å; F307-V377 HydrophobicContact CD1-CG1 4.04Å; F307-V377 HydrophobicContact CD1-CG2 3.97Å; F307-V377 HydrophobicContact CE1-CG1 4.14Å; F307-V377 HydrophobicContact CE1-CG2 3.69Å; V308-V377 HydrophobicContact CG2-CB 4.23Å; V308-V377 HydrophobicContact CG2-CG1 3.97Å; A311-V377 HydrophobicContact CB-CG2 3.77Å; H353-V377 HydrophobicContact CB-CB 4.39Å; H353-V377 PolarHBondContact N-O 2.55Å; V377-T397 HydrophobicContact CG2-CG2 4.33Å; V377-V399 HydrophobicContact CG1-CG2 3.8Å
378I98.9Very high97.7Very high0 Ų033.6 Ų33.60%020%0.2CC..EExtended strand (participates in β ladder)trans-117.2142.5-176.2-53.5-174.7000109.8A345 A350 V351 I352 T376 I381 V396 T397 C398 V399A345-I378 HydrophobicContact CB-CD1 3.83Å; A345-I378 HydrophobicContact CB-CG2 4.13Å; A350-I378 HydrophobicContact CB-CG2 3.67Å; V351-I378 CarbonylContact O-C 3.5Å; V351-I378 WeakPolarHBondContact O-CA 3.29Å; I352-I378 HydrophobicContact CD1-CB 4.4Å; I352-I378 HydrophobicContact CD1-CD1 3.85Å; I352-I378 HydrophobicContact CD1-CG1 3.72Å; I352-I378 HydrophobicContact CD1-CG2 4.09Å; T376-I378 HydrophobicContact CG2-CD1 4.23Å; T376-I378 HydrophobicContact CG2-CG1 3.91Å; I378-I381 HydrophobicContact CG2-CG2 4.5Å; I378-V396 HydrophobicContact CD1-CG1 3.64Å; I378-V396 HydrophobicContact CG1-CG1 4.23Å; I378-T397 PolarHBondContact N-O 2.72Å; I378-C398 CarbonylContact O-C 3.55Å; I378-C398 VanDerWaalsContact O-CA 3.26Å; I378-C398 WeakPolarHBondContact O-CA 3.43Å; I378-V399 PolarHBondContact O-N 3.41Å
379S98.7Very high97.8Very high8 Ų830.2 Ų30.26%0.05619%0.186CC..EExtended strand (participates in β ladder)trans-139.9171.6170.475.20000111.6A350 V351 H353 I381A350-S379 WeakPolarHBondContact CA-O 3.42Å; A350-S379 WeakPolarHBondContact CB-O 3.37Å; V351-S379 PolarHBondContact N-O 2.83Å; V351-S379 PolarHBondContact O-N 3.11Å; H353-S379 WeakPolarHBondContact NE2-CB 3.44Å; H353-S379 PolarHBondContact NE2-OG 3.46Å; S379-I381 VanDerWaalsContact C-N 3.28Å; S379-I381 PolarHBondContact O-N 3Å
380G96.5Very high97.9Very high57 Ų5728.7 Ų28.759%0.58817%0.169SC*.SBendtrans72.921.3176.600000113.8
381I96Very high97.9Very high6 Ų629.9 Ų29.93%0.03117%0.171CC..  trans-103.3133.3177.6-166.574.6000109.9E348 A350 I378 S379 V387 M388 C398E348-I381 HydrophobicContact CB-CD1 3.89Å; E348-I381 WeakPolarHBondContact OE2-CD1 3.44Å; A350-I381 HydrophobicContact CB-CB 4.05Å; A350-I381 HydrophobicContact CB-CD1 3.96Å; I378-I381 HydrophobicContact CG2-CG2 4.5Å; S379-I381 VanDerWaalsContact C-N 3.28Å; S379-I381 PolarHBondContact O-N 3Å; I381-V387 HydrophobicContact CG1-CB 4.37Å; I381-M388 HydrophobicContact CG1-CG 4.45Å; I381-M388 HydrophobicContact CG2-CG 3.7Å; I381-M388 HydrophobicContact CG2-SD 3.88Å; I381-C398 HydrophobicContact CG2-CB 4.21Å
382P95.8Very high97.9Very high71 Ų7128.9 Ų28.946%0.46117%0.168SC..  trans-71.4149.8179.528.6-34.6000111.6S384 S385 M388P382-S384 PolarHBondContact O-N 3.13Å; P382-S384 VanDerWaalsContact O-N 3.11Å; P382-S385 VanDerWaalsContact O-CB 3.25Å; P382-S385 WeakPolarHBondContact O-CB 3.48Å; P382-S385 PolarHBondContact O-N 3.44Å; P382-M388 WeakPolarHBondContact O-CG 3.18Å
383D96.6Very high97.9Very high43 Ų4330.2 Ų30.223%0.2317%0.173CC..THydrogen-bonded Turntrans-58.6-27.5179.9-75.2-5.4000113.4S385 M388 Q389 R411D383-S385 VanDerWaalsContact C-N 3.28Å; D383-S385 PolarHBondContact O-N 3.26Å; D383-M388 WeakPolarHBondContact O-CB 3.47Å; D383-M388 WeakPolarHBondContact OD1-CE 3.33Å; D383-Q389 WeakPolarHBondContact O-CG 3.32Å; D383-Q389 PolarHBondContact O-NE2 2.99Å; D383-R411 IonicContact OD1-CZ 3.8Å; D383-R411 IonicContact OD1-NE 3.93Å; D383-R411 PolarHBondContact OD1-NE 3.3Å; D383-R411 IonicContact OD1-NH2 2.87Å; D383-R411 PolarHBondContact OD1-NH2 2.98Å; D383-R411 WeakPolarHBondContact OD2-CG 3.38Å; D383-R411 IonicContact OD2-CZ 2.82Å; D383-R411 IonicContact OD2-NE 2.84Å; D383-R411 PolarHBondContact OD2-NE 3.33Å; D383-R411 IonicContact OD2-NH2 3.51Å; D383-R411 PolarHBondContact OD2-NH2 2.83Å
384S96.3Very high97.9Very high105 Ų10530.3 Ų30.373%0.73418%0.175SC*.THydrogen-bonded Turntrans-76.4-10.9177.459.10000114P382P382-S384 PolarHBondContact O-N 3.13Å; P382-S384 VanDerWaalsContact O-N 3.11Å
385S98Very high97.9Very high6 Ų629.6 Ų29.64%0.04217%0.171CC..SBendtrans-62.8147.3177.9170.40000110.9E348 P382 D383 V387 M388 Q389E348-S385 WeakPolarHBondContact OE2-CB 3.37Å; E348-S385 PolarHBondContact OE2-OG 2.84Å; P382-S385 VanDerWaalsContact O-CB 3.25Å; P382-S385 WeakPolarHBondContact O-CB 3.48Å; P382-S385 PolarHBondContact O-N 3.44Å; D383-S385 VanDerWaalsContact C-N 3.28Å; D383-S385 PolarHBondContact O-N 3.26Å; S385-V387 PolarHBondContact O-N 3.43Å; S385-V387 PolarHBondContact OG-N 2.88Å; S385-V387 VanDerWaalsContact OG-N 3.11Å; S385-M388 CarbonylContact O-C 3.54Å; S385-M388 WeakPolarHBondContact O-CA 3.48Å; S385-M388 PolarHBondContact O-N 3.14Å; S385-Q389 WeakPolarHBondContact O-CG 3.08Å; S385-Q389 PolarHBondContact O-N 3.31Å
386R98.1Very high97.9Very high125 Ų12529.5 Ų29.547%0.47217%0.17SC..Hα-helixtrans-56.2-32.6171.7-65.3-18061-141.9-11.7112.1L344 M388 Q389 E390L344-R386 HydrophobicContact CD2-CB 3.98Å; R386-M388 PolarHBondContact O-N 2.85Å; R386-Q389 PolarHBondContact O-N 3.03Å; R386-E390 WeakPolarHBondContact CG-OE1 3.22Å; R386-E390 IonicContact CZ-OE1 2.61Å; R386-E390 IonicContact CZ-OE2 2.75Å; R386-E390 IonicContact NE-OE1 2.81Å; R386-E390 PolarHBondContact NE-OE1 3.34Å; R386-E390 IonicContact NE-OE2 2.79Å; R386-E390 IonicContact NH2-OE1 2.68Å; R386-E390 PolarHBondContact NH2-OE1 3.37Å; R386-E390 IonicContact NH2-OE2 2.56Å; R386-E390 PolarHBondContact NH2-OE2 3.3Å; R386-E390 VanDerWaalsContact O-CB 3.31Å; R386-E390 WeakPolarHBondContact O-CB 3.4Å; R386-E390 PolarHBondContact O-N 3.12Å
387V98.1Very high97.9Very high0 Ų029.5 Ų29.50%017%0.17CC..Hα-helixtrans-63.2-33.1176.8-178.30000111.2K257 F341 L344 A345 I381 S385 I392K257-V387 VanDerWaalsContact CE-O 3.27Å; K257-V387 WeakPolarHBondContact CE-O 3.32Å; K257-V387 PolarHBondContact NZ-O 2.88Å; F341-V387 HydrophobicContact CD1-CG2 4.3Å; L344-V387 HydrophobicContact CD2-CG2 4.26Å; L344-V387 HydrophobicContact CG-CG2 4.31Å; A345-V387 HydrophobicContact CB-CG1 4.29Å; A345-V387 HydrophobicContact CB-CG2 3.89Å; I381-V387 HydrophobicContact CG1-CB 4.37Å; S385-V387 PolarHBondContact O-N 3.43Å; S385-V387 PolarHBondContact OG-N 2.88Å; S385-V387 VanDerWaalsContact OG-N 3.11Å; V387-I392 HydrophobicContact CG1-CD1 4.08Å
388M98.3Very high97.9Very high1 Ų129.5 Ų29.51%0.00517%0.17CC..Hα-helixtrans-88-24.1176.3-70.5-64.8-79.700113K257 R292 Y294 I381 P382 D383 S385 R386 C398K257-M388 WeakPolarHBondContact CE-O 3.28Å; K257-M388 WeakPolarHBondContact CG-O 3.38Å; R292-M388 HydrophobicContact CB-CE 4.36Å; R292-M388 WeakPolarHBondContact CD-O 3.46Å; R292-M388 HydrophobicContact CG-CE 4Å; R292-M388 HydrophobicContact CG-SD 4.11Å; Y294-M388 HydrophobicContact CE1-CE 4.04Å; Y294-M388 WeakPolarHBondContact OH-CE 3.3Å; I381-M388 HydrophobicContact CG1-CG 4.45Å; I381-M388 HydrophobicContact CG2-CG 3.7Å; I381-M388 HydrophobicContact CG2-SD 3.88Å; P382-M388 WeakPolarHBondContact O-CG 3.18Å; D383-M388 WeakPolarHBondContact O-CB 3.47Å; D383-M388 WeakPolarHBondContact OD1-CE 3.33Å; S385-M388 CarbonylContact O-C 3.54Å; S385-M388 WeakPolarHBondContact O-CA 3.48Å; S385-M388 PolarHBondContact O-N 3.14Å; R386-M388 PolarHBondContact O-N 2.85Å; M388-C398 HydrophobicContact SD-CB 3.36Å; M388-C398 WeakPolarHBondContact SD-CB 3.22Å
389Q98.4Very high97.9Very high55 Ų5529.5 Ų29.526%0.25717%0.17SC..Hα-helixtrans-97.9-30.3-174.7-67.9-63.7-43.800114.4D383 S385 R386 G414 Y417D383-Q389 WeakPolarHBondContact O-CG 3.32Å; D383-Q389 PolarHBondContact O-NE2 2.99Å; S385-Q389 WeakPolarHBondContact O-CG 3.08Å; S385-Q389 PolarHBondContact O-N 3.31Å; R386-Q389 PolarHBondContact O-N 3.03Å; Q389-G414 PolarHBondContact NE2-O 3.42Å; Q389-G414 PolarHBondContact OE1-O 2.79Å; Q389-Y417 WeakPolarHBondContact O-CE2 3.4Å
390E98.4Very high97.9Very high58 Ų5829.4 Ų29.427%0.27117%0.169SC..SBendtrans-102.7145.4-174.1-63.7175.3-152.200112.2K257 F341 R386 I392K257-E390 WeakPolarHBondContact CD-O 3.49Å; K257-E390 PolarHBondContact NZ-O 2.87Å; F341-E390 HydrophobicContact CE1-CB 3.95Å; F341-E390 HydrophobicContact CZ-CB 4.02Å; F341-E390 WeakPolarHBondContact CZ-OE2 3.41Å; R386-E390 WeakPolarHBondContact CG-OE1 3.22Å; R386-E390 IonicContact CZ-OE1 2.61Å; R386-E390 IonicContact CZ-OE2 2.75Å; R386-E390 IonicContact NE-OE1 2.81Å; R386-E390 PolarHBondContact NE-OE1 3.34Å; R386-E390 IonicContact NE-OE2 2.79Å; R386-E390 IonicContact NH2-OE1 2.68Å; R386-E390 PolarHBondContact NH2-OE1 3.37Å; R386-E390 IonicContact NH2-OE2 2.56Å; R386-E390 PolarHBondContact NH2-OE2 3.3Å; R386-E390 VanDerWaalsContact O-CB 3.31Å; R386-E390 WeakPolarHBondContact O-CB 3.4Å; R386-E390 PolarHBondContact O-N 3.12Å; E390-I392 PolarHBondContact O-N 2.81Å
391E98.3Very high98Very high37 Ų3728 Ų2817%0.17315%0.15CC..  trans-73113.3174.5-174.4-179.2-128.200110.6G255 G256 K337 F393G255-E391 VanDerWaalsContact CA-CD 3.5Å; G255-E391 WeakPolarHBondContact CA-OE1 3.35Å; G255-E391 VanDerWaalsContact CA-OE2 3.32Å; G255-E391 WeakPolarHBondContact CA-OE2 3.3Å; G256-E391 PolarHBondContact N-OE1 2.79Å; G256-E391 WeakPolarHBondContact O-CG 3.49Å; K337-E391 PolarHBondContact NZ-O 3.31Å; K337-E391 VanDerWaalsContact NZ-O 3.1Å; E391-F393 HydrophobicContact CG-CB 4.12Å; E391-F393 HydrophobicContact CG-CD2 4.07Å; E391-F393 WeakPolarHBondContact OE1-CD2 3.39Å
392I98.4Very high98.1Very high4 Ų427.8 Ų27.82%0.02115%0.149CC..  trans-77.9-46.9178.4-60.1170.3000109.4K337 V338 F341 V387 E390 V396K337-I392 PolarHBondContact NZ-O 3.18Å; V338-I392 HydrophobicContact CB-CG2 4.28Å; V338-I392 HydrophobicContact CG1-CG2 3.8Å; V338-I392 HydrophobicContact CG2-CG2 4.13Å; F341-I392 HydrophobicContact CB-CD1 4.11Å; F341-I392 HydrophobicContact CB-CG1 4.05Å; F341-I392 HydrophobicContact CB-CG2 4.23Å; F341-I392 HydrophobicContact CD1-CD1 4.39Å; F341-I392 HydrophobicContact CD1-CG1 3.91Å; F341-I392 HydrophobicContact CD2-CG1 4.18Å; F341-I392 HydrophobicContact CD2-CG2 4.31Å; F341-I392 HydrophobicContact CE1-CG1 4.4Å; F341-I392 HydrophobicContact CG-CD1 4.32Å; F341-I392 HydrophobicContact CG-CG1 3.79Å; F341-I392 HydrophobicContact CG-CG2 4.39Å; V387-I392 HydrophobicContact CG1-CD1 4.08Å; E390-I392 PolarHBondContact O-N 2.81Å; I392-V396 HydrophobicContact CD1-CB 4.23Å; I392-V396 HydrophobicContact CD1-CG1 3.98Å; I392-V396 HydrophobicContact CG2-CB 4.28Å; I392-V396 HydrophobicContact CG2-CG2 4.24Å
393F98.5Very high98.3Very high33 Ų3328.5 Ų28.515%0.14515%0.149CC..  trans64.443179.4-149-104.5000113.3W154 N155 G284 E285 C287 H334 E391W154-F393 AromaticContact CH2-CD1 3.49Å; W154-F393 HydrophobicContact CH2-CD1 3.49Å; W154-F393 VanDerWaalsContact CH2-CD1 3.49Å; W154-F393 AromaticContact CH2-CE1 3.39Å; W154-F393 HydrophobicContact CH2-CE1 3.39Å; W154-F393 AromaticContact CZ2-CD1 3.86Å; W154-F393 HydrophobicContact CZ2-CD1 3.86Å; W154-F393 AromaticContact CZ2-CE1 3.77Å; W154-F393 HydrophobicContact CZ2-CE1 3.77Å; W154-F393 HydrophobicContact CZ3-CD1 4.42Å; W154-F393 AromaticContact CZ3-CE1 3.97Å; W154-F393 HydrophobicContact CZ3-CE1 3.97Å; N155-F393 HydrophobicContact CB-CE1 3.92Å; N155-F393 HydrophobicContact CB-CZ 4.04Å; G284-F393 CarbonylContact O-C 3.45Å; E285-F393 HydrophobicContact CB-CD1 3.99Å; E285-F393 HydrophobicContact CB-CE1 3.73Å; E285-F393 HydrophobicContact CB-CZ 4.46Å; E285-F393 HydrophobicContact CG-CD1 4.22Å; E285-F393 HydrophobicContact CG-CE1 4.4Å; C287-F393 HydrophobicContact CB-CE2 4.28Å; H334-F393 PolarHBondContact CE1-O 3.31Å; H334-F393 PolarHBondContact NE2-O 3.26Å; E391-F393 HydrophobicContact CG-CB 4.12Å; E391-F393 HydrophobicContact CG-CD2 4.07Å; E391-F393 WeakPolarHBondContact OE1-CD2 3.39Å
394G98.6Very high98.4Very high5 Ų530 Ų305%0.05216%0.16CC..SBendtrans-147.7-175176.200000109.7Q283 V396Q283-G394 CarbonylContact O-C 3.54Å; Q283-G394 VanDerWaalsContact O-CA 3.28Å; Q283-G394 WeakPolarHBondContact O-CA 3.46Å; G394-V396 PolarHBondContact O-N 2.65Å
395P98.4Very high98.5Very high0 Ų027 Ų270%013%0.134CC..SBendtrans-80.856.7-170.734.8-35.8000111F280 Q283 M373 T376F280-P395 HydrophobicContact CD1-CB 4.02Å; F280-P395 WeakPolarHBondContact CE1-O 3.4Å; Q283-P395 WeakPolarHBondContact O-CD 3.37Å; M373-P395 HydrophobicContact CB-CG 4.11Å; M373-P395 HydrophobicContact CG-CG 4.14Å; M373-P395 HydrophobicContact SD-CG 4.16Å; T376-P395 PolarHBondContact N-O 2.87Å
396V98.8Very high98.5Very high5 Ų531.4 Ų31.43%0.0316%0.157CC..EExtended strand (participates in β ladder)trans-129.6126.7-174.3-174.40000109.8V338 V342 M373 T376 I378 I392 G394V338-V396 HydrophobicContact CG1-CG2 3.65Å; V342-V396 HydrophobicContact CG2-CG1 4.35Å; V342-V396 HydrophobicContact CG2-CG2 3.9Å; M373-V396 HydrophobicContact CE-CG2 3.61Å; T376-V396 HydrophobicContact CG2-CG1 4.4Å; T376-V396 WeakPolarHBondContact O-CA 3.04Å; I378-V396 HydrophobicContact CD1-CG1 3.64Å; I378-V396 HydrophobicContact CG1-CG1 4.23Å; I392-V396 HydrophobicContact CD1-CB 4.23Å; I392-V396 HydrophobicContact CD1-CG1 3.98Å; I392-V396 HydrophobicContact CG2-CB 4.28Å; I392-V396 HydrophobicContact CG2-CG2 4.24Å; G394-V396 PolarHBondContact O-N 2.65Å
397T98.7Very high98.5Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-135.4151.6175.6-163.20000111.8F280 T290 I293 F307 T376 V377 I378F280-T397 HydrophobicContact CE1-CG2 4.19Å; F280-T397 HydrophobicContact CZ-CG2 3.81Å; T290-T397 PolarHBondContact O-OG1 3.07Å; I293-T397 HydrophobicContact CD1-CG2 3.93Å; I293-T397 WeakPolarHBondContact CD1-OG1 3.37Å; F307-T397 HydrophobicContact CE1-CG2 3.62Å; F307-T397 HydrophobicContact CZ-CG2 3.9Å; T376-T397 PolarHBondContact O-N 3.32Å; V377-T397 HydrophobicContact CG2-CG2 4.33Å; I378-T397 PolarHBondContact N-O 2.72Å
398C98.8Very high98.5Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-114.3134.5-179.7-58.20000110.8S291 I293 I378 I381 M388S291-C398 PolarHBondContact O-N 2.87Å; I293-C398 PolarHBondContact N-O 3.49Å; I378-C398 CarbonylContact O-C 3.55Å; I378-C398 VanDerWaalsContact O-CA 3.26Å; I378-C398 WeakPolarHBondContact O-CA 3.43Å; I381-C398 HydrophobicContact CG2-CB 4.21Å; M388-C398 HydrophobicContact SD-CB 3.36Å; M388-C398 WeakPolarHBondContact SD-CB 3.22Å
399V98.9Very high98.5Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-117.2123.8-178.8-165.80000110.4I293 V295 Y300 F303 L304 F307 V377 I378I293-V399 HydrophobicContact CB-CG1 4.34Å; I293-V399 HydrophobicContact CB-CG2 4.28Å; I293-V399 HydrophobicContact CD1-CG2 4.16Å; I293-V399 HydrophobicContact CG2-CG1 4.23Å; I293-V399 CarbonylContact O-C 3.59Å; I293-V399 WeakPolarHBondContact O-CA 3.34Å; V295-V399 HydrophobicContact CG2-CG1 3.92Å; Y300-V399 HydrophobicContact CE2-CG1 4.02Å; F303-V399 HydrophobicContact CD1-CG1 4.14Å; F303-V399 HydrophobicContact CE1-CG1 4.06Å; L304-V399 HydrophobicContact CD1-CB 4.08Å; L304-V399 HydrophobicContact CD1-CG1 4.27Å; L304-V399 HydrophobicContact CD1-CG2 4.18Å; F307-V399 HydrophobicContact CD1-CG2 4.22Å; F307-V399 HydrophobicContact CE1-CG2 4.32Å; V377-V399 HydrophobicContact CG1-CG2 3.8Å; I378-V399 PolarHBondContact O-N 3.41Å
400C98.4Very high98.6Very high6 Ų628.7 Ų28.74%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-133.6142.5-177.2-69.40000111.3I293 Y294 V295I293-C400 PolarHBondContact O-N 3.1Å; Y294-C400 CarbonylContact C-O 3.41Å; Y294-C400 VanDerWaalsContact CA-O 3.3Å; Y294-C400 WeakPolarHBondContact CA-O 3.34Å; Y294-C400 HydrophobicContact CD1-CB 3.99Å; Y294-C400 HydrophobicContact CE1-CB 4.15Å; V295-C400 PolarHBondContact N-O 3.33Å
401P98.7Very high98.6Very high29 Ų2927.8 Ų27.819%0.18816%0.155CC..EExtended strand (participates in β ladder)trans-77.3154.5172.932.1-33.2000111.2V295 Y300 R411V295-P401 CarbonylContact O-C 3.59Å; V295-P401 WeakPolarHBondContact O-CA 3.48Å; Y300-P401 HydrophobicContact CD1-CB 4.33Å; Y300-P401 HydrophobicContact CD2-CB 3.75Å; Y300-P401 HydrophobicContact CD2-CG 4.33Å; Y300-P401 HydrophobicContact CE2-CB 4.22Å; Y300-P401 HydrophobicContact CE2-CG 4.32Å; Y300-P401 HydrophobicContact CG-CB 3.81Å; Y300-P401 HydrophobicContact CG-CG 4.47Å; P401-R411 PolarHBondContact O-NH1 3.03Å
402F98.8Very high98.6Very high1 Ų126.2 Ų26.20%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-132.8160.4164.671.7-94.9000110.9I261 I262 F263 Y294 V295 E296 R297 T404 A408I261-F402 HydrophobicContact CG2-CE1 3.95Å; I261-F402 HydrophobicContact CG2-CZ 4.04Å; I262-F402 WeakPolarHBondContact O-CE1 3.15Å; F263-F402 HydrophobicContact CD1-CE2 4.13Å; F263-F402 AromaticContact CD1-CZ 3.9Å; F263-F402 HydrophobicContact CD1-CZ 3.9Å; F263-F402 AromaticContact CE1-CE2 3.7Å; F263-F402 HydrophobicContact CE1-CE2 3.7Å; F263-F402 AromaticContact CE1-CZ 3.74Å; F263-F402 HydrophobicContact CE1-CZ 3.74Å; F263-F402 HydrophobicContact CE2-CZ 4.36Å; F263-F402 HydrophobicContact CG-CZ 4.28Å; F263-F402 HydrophobicContact CZ-CE2 4.15Å; F263-F402 AromaticContact CZ-CZ 3.97Å; F263-F402 HydrophobicContact CZ-CZ 3.97Å; Y294-F402 WeakPolarHBondContact O-CE1 3.07Å; V295-F402 WeakPolarHBondContact O-CD1 3.5Å; V295-F402 PolarHBondContact O-N 3.48Å; E296-F402 HydrophobicContact CB-CE1 4.13Å; E296-F402 HydrophobicContact CB-CE2 3.95Å; E296-F402 HydrophobicContact CB-CZ 3.65Å; E296-F402 HydrophobicContact CG-CE2 4.16Å; E296-F402 HydrophobicContact CG-CZ 4.34Å; R297-F402 WeakPolarHBondContact CB-O 3.35Å; R297-F402 PolarHBondContact N-O 3.24Å; F402-T404 WeakPolarHBondContact CD2-O 3.32Å; F402-A408 HydrophobicContact CD1-CB 4.15Å; F402-A408 HydrophobicContact CD2-CB 3.75Å; F402-A408 HydrophobicContact CE1-CB 4.25Å; F402-A408 HydrophobicContact CE2-CB 3.88Å; F402-A408 HydrophobicContact CG-CB 3.89Å; F402-A408 HydrophobicContact CZ-CB 4.12Å
403D98.6Very high98.6Very high86 Ų8627.5 Ų27.546%0.4616%0.156SC..SBendtrans-107-32-176.5-71.6-71.5000114R297 E407R297-D403 WeakPolarHBondContact CD-OD1 3.27Å; R297-D403 IonicContact CZ-OD1 3.62Å; R297-D403 IonicContact CZ-OD2 2.66Å; R297-D403 VanDerWaalsContact NE-CG 3.33Å; R297-D403 IonicContact NE-OD1 2.64Å; R297-D403 PolarHBondContact NE-OD1 2.79Å; R297-D403 IonicContact NE-OD2 3.28Å; R297-D403 PolarHBondContact NE-OD2 2.85Å; R297-D403 IonicContact NH2-OD1 3.7Å; R297-D403 IonicContact NH2-OD2 3.93Å; R297-D403 PolarHBondContact NH2-OD2 3.35Å; D403-E407 PolarHBondContact N-OE2 3.32Å
404T98.6Very high98.5Very high75 Ų7527.9 Ų27.946%0.4617%0.169SC..  trans-134.6155.9-174.868.10000112.9F402 D406 E407 A408F402-T404 WeakPolarHBondContact CD2-O 3.32Å; T404-D406 VanDerWaalsContact C-N 3.26Å; T404-D406 PolarHBondContact O-N 3.13Å; T404-E407 PolarHBondContact O-N 2.91Å; T404-E407 VanDerWaalsContact OG1-CB 3.27Å; T404-E407 WeakPolarHBondContact OG1-CB 3.22Å; T404-E407 PolarHBondContact OG1-N 3.4Å; T404-E407 VanDerWaalsContact OG1-N 3.13Å; T404-A408 PolarHBondContact O-N 3.36Å
405E98.2Very high98.5Very high41 Ų4128.2 Ų28.219%0.19217%0.17CC..Hα-helixtrans-54.8-43.3173.5-171.3-178.911900111.6F263 A408 V409 R430 R433 L434 R437F263-E405 HydrophobicContact CE1-CB 4.41Å; F263-E405 HydrophobicContact CZ-CG 4.23Å; E405-A408 PolarHBondContact O-N 3.13Å; E405-V409 WeakPolarHBondContact O-CG2 3.45Å; E405-V409 PolarHBondContact O-N 3.47Å; E405-R430 IonicContact OE2-NE 3.26Å; E405-R433 IonicContact OE1-NE 3.24Å; E405-R433 PolarHBondContact OE1-NE 3.3Å; E405-R433 IonicContact OE1-NH2 3.4Å; E405-R433 IonicContact OE2-CZ 3.67Å; E405-R433 IonicContact OE2-NH2 2.66Å; E405-R433 PolarHBondContact OE2-NH2 3.02Å; E405-L434 HydrophobicContact CG-CD1 3.33Å; E405-L434 HydrophobicContact CG-CD2 4.44Å; E405-L434 HydrophobicContact CG-CG 4.25Å; E405-L434 VanDerWaalsContact OE1-CD1 3.23Å; E405-L434 WeakPolarHBondContact OE1-CD1 3.3Å; E405-R437 IonicContact OE1-NH1 3.59Å; E405-R437 PolarHBondContact OE1-NH1 3.49Å
406D98.6Very high98.5Very high99 Ų9934 Ų3453%0.52919%0.192SC..Hα-helixtrans-68.1-40.6-178.8-73.3-21.3000112.6T404 V409 A410 R437T404-D406 VanDerWaalsContact C-N 3.26Å; T404-D406 PolarHBondContact O-N 3.13Å; D406-V409 PolarHBondContact O-N 3.4Å; D406-A410 WeakPolarHBondContact O-CB 3.41Å; D406-A410 PolarHBondContact O-N 2.86Å; D406-R437 IonicContact OD1-CZ 3.42Å; D406-R437 IonicContact OD1-NH1 3.29Å; D406-R437 PolarHBondContact OD1-NH1 2.67Å; D406-R437 IonicContact OD1-NH2 2.71Å; D406-R437 PolarHBondContact OD1-NH2 3.29Å
407E98.4Very high98.5Very high52 Ų5234.5 Ų34.524%0.24319%0.193CC..Hα-helixtrans-60.4-47.3172.3-173.6-153.2149.400110.7D403 T404 V409 A410 R411D403-E407 PolarHBondContact N-OE2 3.32Å; T404-E407 PolarHBondContact O-N 2.91Å; T404-E407 VanDerWaalsContact OG1-CB 3.27Å; T404-E407 WeakPolarHBondContact OG1-CB 3.22Å; T404-E407 PolarHBondContact OG1-N 3.4Å; T404-E407 VanDerWaalsContact OG1-N 3.13Å; E407-V409 VanDerWaalsContact C-N 3.31Å; E407-V409 PolarHBondContact O-N 3.1Å; E407-A410 PolarHBondContact O-N 2.97Å; E407-A410 VanDerWaalsContact O-N 3.16Å; E407-R411 HydrophobicContact CG-CG 4.25Å; E407-R411 WeakPolarHBondContact O-CB 3.39Å; E407-R411 VanDerWaalsContact O-CG 3.26Å; E407-R411 WeakPolarHBondContact O-CG 3.21Å; E407-R411 PolarHBondContact O-N 3.33Å; E407-R411 VanDerWaalsContact OE1-CD 3.24Å; E407-R411 WeakPolarHBondContact OE1-CD 3.25Å; E407-R411 IonicContact OE1-CZ 2.85Å; E407-R411 IonicContact OE1-NE 2.73Å; E407-R411 IonicContact OE1-NH1 2.77Å; E407-R411 PolarHBondContact OE1-NH1 3.4Å
408A98.3Very high98.4Very high0 Ų034.7 Ų34.70%020%0.195CC..Hα-helixtrans-59-42.3-179.800000112.2I261 F402 T404 E405 G412I261-A408 HydrophobicContact CD1-CB 4.28Å; I261-A408 WeakPolarHBondContact CD1-O 3.46Å; I261-A408 HydrophobicContact CG2-CB 3.72Å; F402-A408 HydrophobicContact CD1-CB 4.15Å; F402-A408 HydrophobicContact CD2-CB 3.75Å; F402-A408 HydrophobicContact CE1-CB 4.25Å; F402-A408 HydrophobicContact CE2-CB 3.88Å; F402-A408 HydrophobicContact CG-CB 3.89Å; F402-A408 HydrophobicContact CZ-CB 4.12Å; T404-A408 PolarHBondContact O-N 3.36Å; E405-A408 PolarHBondContact O-N 3.13Å; A408-G412 PolarHBondContact O-N 3.41Å
409V98.6Very high98.4Very high9 Ų934.8 Ų34.86%0.05520%0.195CC..Hα-helixtrans-64.9-46.6174.8170.20000111.2E405 D406 E407 R411 G412 N413 L434 R437E405-V409 WeakPolarHBondContact O-CG2 3.45Å; E405-V409 PolarHBondContact O-N 3.47Å; D406-V409 PolarHBondContact O-N 3.4Å; E407-V409 VanDerWaalsContact C-N 3.31Å; E407-V409 PolarHBondContact O-N 3.1Å; V409-R411 VanDerWaalsContact C-N 3.32Å; V409-R411 PolarHBondContact O-N 3.16Å; V409-G412 PolarHBondContact O-N 2.99Å; V409-N413 WeakPolarHBondContact O-CB 3.24Å; V409-N413 PolarHBondContact O-N 3.36Å; V409-N413 PolarHBondContact O-ND2 2.88Å; V409-L434 HydrophobicContact CG2-CG 3.96Å; V409-R437 HydrophobicContact CG1-CB 3.88Å; V409-R437 HydrophobicContact CG2-CB 4.33Å
410A98.6Very high98.4Very high62 Ų6234.9 Ų34.951%0.51220%0.196SC..Hα-helixtrans-59.3-44.7179.400000111.4D406 E407 N413 G414D406-A410 WeakPolarHBondContact O-CB 3.41Å; D406-A410 PolarHBondContact O-N 2.86Å; E407-A410 PolarHBondContact O-N 2.97Å; E407-A410 VanDerWaalsContact O-N 3.16Å; A410-N413 PolarHBondContact O-N 3.5Å; A410-G414 WeakPolarHBondContact O-CA 3.38Å; A410-G414 PolarHBondContact O-N 3.14Å
411R98.3Very high98.4Very high40 Ų4034.7 Ų34.715%0.15120%0.195CC..Hα-helixtrans-69.5-42.5177.6-64.8178.171.4179.32.5112.1R292 Y294 D383 P401 E407 V409 N413 G414R292-R411 PolarHBondContact NH1-O 3.43Å; Y294-R411 HydrophobicContact CD1-CB 4.46Å; Y294-R411 HydrophobicContact CE1-CB 4.03Å; Y294-R411 HydrophobicContact CE2-CB 4.26Å; D383-R411 IonicContact OD1-CZ 3.8Å; D383-R411 IonicContact OD1-NE 3.93Å; D383-R411 PolarHBondContact OD1-NE 3.3Å; D383-R411 IonicContact OD1-NH2 2.87Å; D383-R411 PolarHBondContact OD1-NH2 2.98Å; D383-R411 WeakPolarHBondContact OD2-CG 3.38Å; D383-R411 IonicContact OD2-CZ 2.82Å; D383-R411 IonicContact OD2-NE 2.84Å; D383-R411 PolarHBondContact OD2-NE 3.33Å; D383-R411 IonicContact OD2-NH2 3.51Å; D383-R411 PolarHBondContact OD2-NH2 2.83Å; P401-R411 PolarHBondContact O-NH1 3.03Å; E407-R411 HydrophobicContact CG-CG 4.25Å; E407-R411 WeakPolarHBondContact O-CB 3.39Å; E407-R411 VanDerWaalsContact O-CG 3.26Å; E407-R411 WeakPolarHBondContact O-CG 3.21Å; E407-R411 PolarHBondContact O-N 3.33Å; E407-R411 VanDerWaalsContact OE1-CD 3.24Å; E407-R411 WeakPolarHBondContact OE1-CD 3.25Å; E407-R411 IonicContact OE1-CZ 2.85Å; E407-R411 IonicContact OE1-NE 2.73Å; E407-R411 IonicContact OE1-NH1 2.77Å; E407-R411 PolarHBondContact OE1-NH1 3.4Å; V409-R411 VanDerWaalsContact C-N 3.32Å; V409-R411 PolarHBondContact O-N 3.16Å; R411-N413 PolarHBondContact O-N 2.75Å; R411-G414 PolarHBondContact O-N 3.05Å
412G98.3Very high98.4Very high4 Ų433.4 Ų33.44%0.04119%0.187CC..Hα-helixtrans-53.8-43.8173.100000112R292 A408 V409R292-G412 PolarHBondContact NH2-O 3.39Å; A408-G412 PolarHBondContact O-N 3.41Å; V409-G412 PolarHBondContact O-N 2.99Å
413N98.7Very high98.4Very high31 Ų3133.4 Ų33.417%0.16619%0.187CC..Hα-helixtrans-81.7-12.4178.5-70.3-20.9000114.7V409 A410 R411 V415 R437 L438 Q439 K461V409-N413 WeakPolarHBondContact O-CB 3.24Å; V409-N413 PolarHBondContact O-N 3.36Å; V409-N413 PolarHBondContact O-ND2 2.88Å; A410-N413 PolarHBondContact O-N 3.5Å; R411-N413 PolarHBondContact O-N 2.75Å; N413-V415 PolarHBondContact O-N 3.2Å; N413-R437 PolarHBondContact ND2-O 3.26Å; N413-L438 WeakPolarHBondContact OD1-CA 3.47Å; N413-Q439 PolarHBondContact OD1-N 3.14Å; N413-K461 PolarHBondContact O-NZ 3.07Å
414G98.1Very high98.4Very high41 Ų4129.4 Ų29.442%0.42317%0.165SC..  trans-73.232.2-171.100000116Q389 A410 R411Q389-G414 PolarHBondContact NE2-O 3.42Å; Q389-G414 PolarHBondContact OE1-O 2.79Å; A410-G414 WeakPolarHBondContact O-CA 3.38Å; A410-G414 PolarHBondContact O-N 3.14Å; R411-G414 PolarHBondContact O-N 3.05Å
415V98Very high98.4Very high11 Ų1125.9 Ų25.97%0.06714%0.143CC..SBendtrans-135.2158.7174.8-660000109.9K257 R292 N413 Y417 K461K257-V415 HydrophobicContact CB-CG1 4.38Å; K257-V415 HydrophobicContact CB-CG2 4.37Å; K257-V415 HydrophobicContact CG-CG1 4.31Å; R292-V415 VanDerWaalsContact CZ-CG1 3.44Å; N413-V415 PolarHBondContact O-N 3.2Å; V415-Y417 PolarHBondContact O-N 3.45Å; V415-K461 PolarHBondContact O-NZ 3.36Å
416R97.6Very high98.4Very high123 Ų12331.9 Ų31.946%0.46416%0.164SC..SBendtrans-66.9-19.2175.669.4-178.9-176-174.9-1.3114K461 H462R416-K461 WeakPolarHBondContact O-CB 3.3Å; R416-H462 HydrophobicContact CG-CB 4.43Å; R416-H462 WeakPolarHBondContact O-CB 3.37Å; R416-H462 PolarHBondContact O-N 3.39Å; R416-H462 VanDerWaalsContact O-N 3.14Å
417Y98.5Very high98.4Very high15 Ų1529.9 Ų29.96%0.05915%0.154CC..EExtended strand (participates in β ladder)trans-86160.3-178.5-60.6-73000112G255 K257 Q389 V415 K461 S463G255-Y417 WeakPolarHBondContact O-CD1 3.35Å; K257-Y417 HydrophobicContact CB-CD2 3.81Å; K257-Y417 HydrophobicContact CB-CG 4.47Å; Q389-Y417 WeakPolarHBondContact O-CE2 3.4Å; V415-Y417 PolarHBondContact O-N 3.45Å; Y417-K461 WeakPolarHBondContact O-CD 3.33Å; Y417-S463 WeakPolarHBondContact CA-OG 3.22Å; Y417-S463 WeakPolarHBondContact CB-OG 3.44Å
418G98.2Very high98.4Very high4 Ų432.1 Ų32.14%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-158.744.5179.500000112.4Q439 A440 G441 M460 S463G418-Q439 VanDerWaalsContact CA-O 3.26Å; G418-Q439 WeakPolarHBondContact CA-O 3.19Å; G418-A440 WeakPolarHBondContact O-CA 3.48Å; G418-G441 PolarHBondContact O-N 3.26Å; G418-M460 PolarHBondContact O-N 3.46Å; G418-S463 PolarHBondContact N-OG 3.3Å
419L98.3Very high98.4Very high1 Ų133.7 Ų33.71%0.00519%0.187CC..SBendtrans-79.4-69.6-178.3-174.560.9000111.9C287 L288 G441 L442 S463C287-L419 HydrophobicContact CB-CD2 3.59Å; C287-L419 WeakPolarHBondContact O-CD2 3.37Å; L288-L419 HydrophobicContact CD2-CD1 4.47Å; L288-L419 HydrophobicContact CD2-CD2 3.77Å; L288-L419 HydrophobicContact CD2-CG 3.82Å; L288-L419 HydrophobicContact CG-CD2 4.42Å; L419-G441 PolarHBondContact O-N 2.86Å; L419-L442 HydrophobicContact CD1-CD1 4.47Å; L419-L442 PolarHBondContact O-N 3.16Å; L419-S463 PolarHBondContact N-OG 3.32Å
420S98.3Very high98.4Very high3 Ų335.5 Ų35.52%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-132.2163.3178.868.30000113.3N258 P259 L288 L442N258-S420 WeakPolarHBondContact CA-O 3.34Å; N258-S420 VanDerWaalsContact CB-O 3.24Å; N258-S420 WeakPolarHBondContact CB-O 3.44Å; N258-S420 WeakPolarHBondContact CB-OG 3.32Å; N258-S420 PolarHBondContact OD1-N 3.45Å; N258-S420 PolarHBondContact OD1-O 3.04Å; N258-S420 PolarHBondContact OD1-OG 2.93Å; P259-S420 WeakPolarHBondContact CD-O 3.29Å; L288-S420 PolarHBondContact O-OG 2.9Å; S420-L442 CarbonylContact C-O 3.58Å; S420-L442 WeakPolarHBondContact CA-O 3.36Å
421A98.6Very high98.3Very high2 Ų233.2 Ų33.22%0.01717%0.172CC..EExtended strand (participates in β ladder)trans-145.7157.1168.400000110.7P259 L438 A440 L442 V443 W444P259-A421 HydrophobicContact CG-CB 3.83Å; P259-A421 CarbonylContact O-C 3.57Å; P259-A421 WeakPolarHBondContact O-CA 3.23Å; A421-L438 HydrophobicContact CB-CD1 3.91Å; A421-A440 HydrophobicContact CB-CB 4.08Å; A421-L442 PolarHBondContact N-O 2.88Å; A421-V443 HydrophobicContact CB-CG1 4.5Å; A421-V443 HydrophobicContact CB-CG2 4.39Å; A421-V443 WeakPolarHBondContact O-CA 3.29Å; A421-W444 PolarHBondContact O-N 3.44Å
422T98.6Very high98.3Very high2 Ų237 Ų371%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-124.1143.6168.962.30000111.3P259 A260 I261 W444 W448P259-T422 PolarHBondContact O-N 3.18Å; A260-T422 WeakPolarHBondContact CA-O 3.34Å; A260-T422 VanDerWaalsContact CA-OG1 3.22Å; A260-T422 WeakPolarHBondContact CA-OG1 3.46Å; A260-T422 WeakPolarHBondContact CB-OG1 3.34Å; I261-T422 PolarHBondContact N-O 3.31Å; T422-W444 CarbonylContact C-O 3.59Å; T422-W444 VanDerWaalsContact CA-O 3.24Å; T422-W444 WeakPolarHBondContact CA-O 3.17Å; T422-W444 HydrophobicContact CG2-CB 4.28Å; T422-W444 HydrophobicContact CG2-CE3 4.14Å; T422-W448 HydrophobicContact CG2-CB 4.31Å; T422-W448 HydrophobicContact CG2-CG 4.42Å
423V98.8Very high98.3Very high0 Ų042.2 Ų42.20%021%0.21CC..EExtended strand (participates in β ladder)trans-125.1127.7174.4-178.20000108.9I261 F263 V431 L434 L438 V443 W444 T445 N446I261-V423 CarbonylContact O-C 3.58Å; I261-V423 WeakPolarHBondContact O-CA 3.47Å; F263-V423 HydrophobicContact CD2-CG1 4.5Å; F263-V423 HydrophobicContact CE2-CG1 4.31Å; V423-V431 HydrophobicContact CG1-CG1 4.31Å; V423-L434 HydrophobicContact CG1-CB 4.34Å; V423-L434 HydrophobicContact CG1-CD2 3.89Å; V423-L434 HydrophobicContact CG2-CB 4.14Å; V423-L434 HydrophobicContact CG2-CD2 4.38Å; V423-L438 HydrophobicContact CG2-CD1 3.55Å; V423-V443 HydrophobicContact CG2-CG1 4.31Å; V423-W444 PolarHBondContact N-O 3.21Å; V423-T445 HydrophobicContact CB-CG2 4.41Å; V423-T445 CarbonylContact O-C 3.6Å; V423-T445 VanDerWaalsContact O-CA 3.25Å; V423-T445 WeakPolarHBondContact O-CA 3.37Å; V423-N446 PolarHBondContact O-N 3.25Å
424W98.8Very high98.2Very high2 Ų240.7 Ų40.71%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-115.6113179.3-64.987.2000110I261 I262 F263 A266 Q270 C271 T274 N446I261-W424 PolarHBondContact O-N 3.23Å; I262-W424 HydrophobicContact CB-CB 4.4Å; I262-W424 HydrophobicContact CG1-CB 4.2Å; I262-W424 HydrophobicContact CG1-CG 4.2Å; I262-W424 HydrophobicContact CG2-CB 4.25Å; F263-W424 PolarHBondContact N-O 3.45Å; A266-W424 HydrophobicContact CB-CB 3.87Å; Q270-W424 HydrophobicContact CG-CZ3 4.15Å; C271-W424 HydrophobicContact CB-CD2 3.87Å; C271-W424 HydrophobicContact CB-CE3 3.62Å; C271-W424 HydrophobicContact CB-CG 4.32Å; C271-W424 HydrophobicContact CB-CZ3 4.13Å; C271-W424 VanDerWaalsContact SG-CD2 3.54Å; T274-W424 HydrophobicContact CG2-CH2 3.6Å; T274-W424 HydrophobicContact CG2-CZ2 3.52Å; T274-W424 WeakPolarHBondContact OG1-CH2 3.45Å; W424-N446 WeakPolarHBondContact CA-OD1 3.49Å; W424-N446 HydrophobicContact CE3-CB 4.24Å; W424-N446 HydrophobicContact CZ3-CB 4.24Å
425S98.7Very high98.2Very high1 Ų140.2 Ų40.21%0.00719%0.194CC..  trans-170.4148.1-179.2-174.80000110D265 D427 R430 N446D265-S425 WeakPolarHBondContact OD1-CA 3.34Å; D265-S425 WeakPolarHBondContact OD1-CB 3.3Å; D265-S425 PolarHBondContact OD1-OG 3.27Å; D265-S425 PolarHBondContact OD2-OG 3.41Å; S425-D427 PolarHBondContact OG-N 3.44Å; S425-R430 PolarHBondContact OG-NH1 2.8Å; S425-N446 PolarHBondContact N-OD1 2.85Å; S425-N446 PolarHBondContact O-ND2 3.38Å; S425-N446 PolarHBondContact O-OD1 3.22Å
426R98.4Very high98.2Very high167 Ų16747.6 Ų47.663%0.6323%0.228SC*.SBendtrans-87.9-17.2172.8-72.4175.9178.5175.9-1.1112.1D265 D267 V428D265-R426 VanDerWaalsContact O-CD 3.27Å; D265-R426 WeakPolarHBondContact O-CD 3.23Å; D265-R426 WeakPolarHBondContact O-CG 3.42Å; D265-R426 PolarHBondContact OD2-N 2.92Å; D267-R426 IonicContact OD2-CZ 3.45Å; D267-R426 IonicContact OD2-NH2 3.87Å; D267-R426 PolarHBondContact OD2-NH2 3.16Å; R426-V428 PolarHBondContact O-N 3.21Å; R426-V428 VanDerWaalsContact O-N 3.15Å
427D98.5Very high98.2Very high58 Ų5846.4 Ų46.431%0.3122%0.223SC..  trans-68.6104172.2-179.5-11.1000111.5D265 S425 G429 R430 V431D265-D427 PolarHBondContact OD2-N 2.87Å; S425-D427 PolarHBondContact OG-N 3.44Å; D427-G429 VanDerWaalsContact C-N 3.28Å; D427-G429 PolarHBondContact O-N 3.39Å; D427-G429 WeakPolarHBondContact OD1-CA 3.48Å; D427-G429 PolarHBondContact OD1-N 3.41Å; D427-R430 HydrophobicContact CB-CB 3.76Å; D427-R430 WeakPolarHBondContact O-CB 3.37Å; D427-R430 PolarHBondContact O-N 3.02Å; D427-R430 VanDerWaalsContact O-N 3.17Å; D427-R430 PolarHBondContact OD1-N 3.47Å; D427-V431 PolarHBondContact O-N 2.75Å
428V97.7Very high98.3Very high98 Ų9846.1 Ų46.159%0.59422%0.222SC*.Hα-helixtrans-60.7-36.2178.4178.90000112.1R426 V431 H432R426-V428 PolarHBondContact O-N 3.21Å; R426-V428 VanDerWaalsContact O-N 3.15Å; V428-V431 WeakPolarHBondContact O-CG2 3.29Å; V428-H432 PolarHBondContact O-CD2 2.8Å; V428-H432 PolarHBondContact O-N 2.79Å
429G98.4Very high98.3Very high33 Ų3350.5 Ų50.534%0.3424%0.242SC..Hα-helixtrans-66.2-41.8176.800000111.3D427 R433D427-G429 VanDerWaalsContact C-N 3.28Å; D427-G429 PolarHBondContact O-N 3.39Å; D427-G429 WeakPolarHBondContact OD1-CA 3.48Å; D427-G429 PolarHBondContact OD1-N 3.41Å; G429-R433 WeakPolarHBondContact O-CG 3.39Å; G429-R433 PolarHBondContact O-N 3.41Å; G429-R433 VanDerWaalsContact O-N 3.1Å; G429-R433 PolarHBondContact O-NH1 3.12Å
430R98.3Very high98.3Very high48 Ų4850.9 Ų50.918%0.18125%0.245CC..Hα-helixtrans-62.6-50.6175.9-174.3-178.4-62.4144.9-3.5111.7F263 D265 E405 S425 D427 H432 R433 L434F263-R430 HydrophobicContact CE2-CG 4.4Å; F263-R430 HydrophobicContact CZ-CG 4.46Å; D265-R430 IonicContact OD1-NH1 3.47Å; D265-R430 PolarHBondContact OD1-NH1 3.01Å; D265-R430 IonicContact OD2-NH1 3.47Å; E405-R430 IonicContact OE2-NE 3.26Å; S425-R430 PolarHBondContact OG-NH1 2.8Å; D427-R430 HydrophobicContact CB-CB 3.76Å; D427-R430 WeakPolarHBondContact O-CB 3.37Å; D427-R430 PolarHBondContact O-N 3.02Å; D427-R430 VanDerWaalsContact O-N 3.17Å; D427-R430 PolarHBondContact OD1-N 3.47Å; R430-H432 VanDerWaalsContact C-N 3.27Å; R430-H432 PolarHBondContact O-N 2.85Å; R430-R433 PolarHBondContact O-N 3.28Å; R430-R433 VanDerWaalsContact O-N 3.16Å; R430-L434 HydrophobicContact CG-CD1 3.74Å; R430-L434 HydrophobicContact CG-CD2 4.4Å; R430-L434 WeakPolarHBondContact O-CD1 3.43Å; R430-L434 PolarHBondContact O-N 3.45Å
431V97.6Very high98.2Very high13 Ų1352 Ų528%0.07926%0.256CS..Hα-helixtrans-59.3-39.4-177.1-59.90000111.8V423 D427 V428 A435 T445V423-V431 HydrophobicContact CG1-CG1 4.31Å; D427-V431 PolarHBondContact O-N 2.75Å; V428-V431 WeakPolarHBondContact O-CG2 3.29Å; V431-A435 WeakPolarHBondContact O-CB 3.36Å; V431-A435 PolarHBondContact O-N 2.63Å; V431-T445 HydrophobicContact CB-CG2 3.82Å; V431-T445 HydrophobicContact CG1-CG2 4.42Å
432H98.1Very high98.1Very high120 Ų12053 Ų5356%0.55626%0.261SS*.Hα-helixtrans-66.2-45.9175.2-79.5-64.4000113V428 R430 L434 Q436V428-H432 PolarHBondContact O-CD2 2.8Å; V428-H432 PolarHBondContact O-N 2.79Å; R430-H432 VanDerWaalsContact C-N 3.27Å; R430-H432 PolarHBondContact O-N 2.85Å; H432-L434 PolarHBondContact O-N 3.18Å; H432-Q436 WeakPolarHBondContact O-CG 3.26Å; H432-Q436 PolarHBondContact O-N 3.35Å
433R97.9Very high98.1Very high113 Ų11354.8 Ų54.843%0.42627%0.273SS..Hα-helixtrans-60.6-46.4178.1-74.1-168.4-49.8-86.9-0.2111.6E405 G429 R430 R437E405-R433 IonicContact OE1-NE 3.24Å; E405-R433 PolarHBondContact OE1-NE 3.3Å; E405-R433 IonicContact OE1-NH2 3.4Å; E405-R433 IonicContact OE2-CZ 3.67Å; E405-R433 IonicContact OE2-NH2 2.66Å; E405-R433 PolarHBondContact OE2-NH2 3.02Å; G429-R433 WeakPolarHBondContact O-CG 3.39Å; G429-R433 PolarHBondContact O-N 3.41Å; G429-R433 VanDerWaalsContact O-N 3.1Å; G429-R433 PolarHBondContact O-NH1 3.12Å; R430-R433 PolarHBondContact O-N 3.28Å; R430-R433 VanDerWaalsContact O-N 3.16Å; R433-R437 WeakPolarHBondContact O-CD 3.22Å; R433-R437 WeakPolarHBondContact O-CG 3.06Å; R433-R437 PolarHBondContact O-N 3.26Å
434L98.1Very high98.1Very high0 Ų055.8 Ų55.80%028%0.276CS..Hα-helixtrans-70.1-41.9-177.6-92.566.4000112I261 F263 E405 V409 V423 R430 H432 Q436 R437 L438I261-L434 HydrophobicContact CG2-CD2 4.37Å; F263-L434 HydrophobicContact CE2-CD2 3.29Å; F263-L434 HydrophobicContact CZ-CD2 3.5Å; E405-L434 HydrophobicContact CG-CD1 3.33Å; E405-L434 HydrophobicContact CG-CD2 4.44Å; E405-L434 HydrophobicContact CG-CG 4.25Å; E405-L434 VanDerWaalsContact OE1-CD1 3.23Å; E405-L434 WeakPolarHBondContact OE1-CD1 3.3Å; V409-L434 HydrophobicContact CG2-CG 3.96Å; V423-L434 HydrophobicContact CG1-CB 4.34Å; V423-L434 HydrophobicContact CG1-CD2 3.89Å; V423-L434 HydrophobicContact CG2-CB 4.14Å; V423-L434 HydrophobicContact CG2-CD2 4.38Å; R430-L434 HydrophobicContact CG-CD1 3.74Å; R430-L434 HydrophobicContact CG-CD2 4.4Å; R430-L434 WeakPolarHBondContact O-CD1 3.43Å; R430-L434 PolarHBondContact O-N 3.45Å; H432-L434 PolarHBondContact O-N 3.18Å; L434-Q436 PolarHBondContact O-N 3.38Å; L434-R437 PolarHBondContact O-N 3.4Å; L434-L438 WeakPolarHBondContact O-CG 3.21Å; L434-L438 PolarHBondContact O-N 3.38Å
435A97.4Very high98.1Very high30 Ų3058.2 Ų58.225%0.24829%0.292CS..Hα-helixtrans-57.6-34.8-179.800000112.3V431 V443V431-A435 WeakPolarHBondContact O-CB 3.36Å; V431-A435 PolarHBondContact O-N 2.63Å; A435-V443 HydrophobicContact CB-CB 4.35Å; A435-V443 HydrophobicContact CB-CG1 3.96Å
436Q97.7Very high98Very high167 Ų16760.6 Ų60.678%0.7830%0.304SS*.Hα-helixtrans-77.8-27.7176.2-67.4178.3-5.100113.8H432 L434H432-Q436 WeakPolarHBondContact O-CG 3.26Å; H432-Q436 PolarHBondContact O-N 3.35Å; L434-Q436 PolarHBondContact O-N 3.38Å
437R98.5Very high98Very high98 Ų9854.5 Ų54.537%0.3729%0.287SS..Hα-helixtrans-85.2-22.2-177.8-6917367.4-173.74.7113.3E405 D406 V409 N413 R433 L434E405-R437 IonicContact OE1-NH1 3.59Å; E405-R437 PolarHBondContact OE1-NH1 3.49Å; D406-R437 IonicContact OD1-CZ 3.42Å; D406-R437 IonicContact OD1-NH1 3.29Å; D406-R437 PolarHBondContact OD1-NH1 2.67Å; D406-R437 IonicContact OD1-NH2 2.71Å; D406-R437 PolarHBondContact OD1-NH2 3.29Å; V409-R437 HydrophobicContact CG1-CB 3.88Å; V409-R437 HydrophobicContact CG2-CB 4.33Å; N413-R437 PolarHBondContact ND2-O 3.26Å; R433-R437 WeakPolarHBondContact O-CD 3.22Å; R433-R437 WeakPolarHBondContact O-CG 3.06Å; R433-R437 PolarHBondContact O-N 3.26Å; L434-R437 PolarHBondContact O-N 3.4Å
438L98.6Very high98Very high8 Ų851.9 Ų51.94%0.04227%0.273CS..SBendtrans-75.1127.5176.9-72166.3000110.6I261 N413 A421 V423 L434 A440 V443I261-L438 HydrophobicContact CD1-CD1 4.24Å; I261-L438 HydrophobicContact CD1-CD2 3.79Å; N413-L438 WeakPolarHBondContact OD1-CA 3.47Å; A421-L438 HydrophobicContact CB-CD1 3.91Å; V423-L438 HydrophobicContact CG2-CD1 3.55Å; L434-L438 WeakPolarHBondContact O-CG 3.21Å; L434-L438 PolarHBondContact O-N 3.38Å; L438-A440 PolarHBondContact O-N 3.46Å; L438-V443 HydrophobicContact CB-CG2 4.18Å; L438-V443 HydrophobicContact CD1-CG1 4.13Å
439Q98.4Very high97.8Very high97 Ų9749.6 Ų49.645%0.45326%0.257SS..  trans-87.763.4-179.3-62.9175.9-27.600110.1N413 G418N413-Q439 PolarHBondContact OD1-N 3.14Å; G418-Q439 VanDerWaalsContact CA-O 3.26Å; G418-Q439 WeakPolarHBondContact CA-O 3.19Å
440A98.1Very high97.5Very high9 Ų952.8 Ų52.87%0.07427%0.269CS..  trans-130.6145.4177.500000110.7G418 A421 L438 L442 V443 M460G418-A440 WeakPolarHBondContact O-CA 3.48Å; A421-A440 HydrophobicContact CB-CB 4.08Å; L438-A440 PolarHBondContact O-N 3.46Å; A440-L442 VanDerWaalsContact C-N 3.27Å; A440-L442 PolarHBondContact O-N 3.27Å; A440-V443 HydrophobicContact CB-CG2 4.23Å; A440-M460 WeakPolarHBondContact O-CE 3.49Å
441G97Very high97Very high25 Ų2552.9 Ų52.926%0.25827%0.27SS..SBendtrans-67.8-28.5178.100000114G418 L419 G458G418-G441 PolarHBondContact O-N 3.26Å; L419-G441 PolarHBondContact O-N 2.86Å; G441-G458 VanDerWaalsContact CA-O 3.3Å; G441-G458 WeakPolarHBondContact CA-O 3.46Å
442L97.5Very high96.7Very high23 Ų2356.1 Ų56.112%0.1229%0.286CS..EExtended strand (participates in β ladder)trans-126.8121.5178.9-62.2140.3000108.9L288 L419 S420 A421 A440 W444 F457L288-L442 HydrophobicContact CD2-CD1 3.69Å; L419-L442 HydrophobicContact CD1-CD1 4.47Å; L419-L442 PolarHBondContact O-N 3.16Å; S420-L442 CarbonylContact C-O 3.58Å; S420-L442 WeakPolarHBondContact CA-O 3.36Å; A421-L442 PolarHBondContact N-O 2.88Å; A440-L442 VanDerWaalsContact C-N 3.27Å; A440-L442 PolarHBondContact O-N 3.27Å; L442-W444 HydrophobicContact CB-CH2 4.42Å; L442-W444 HydrophobicContact CB-CZ2 4.46Å; L442-W444 HydrophobicContact CD2-CZ2 4.41Å; L442-F457 HydrophobicContact CD1-CD2 3.67Å; L442-F457 HydrophobicContact CD1-CE2 3.54Å; L442-F457 HydrophobicContact CD1-CG 4.43Å; L442-F457 HydrophobicContact CD1-CZ 4.21Å; L442-F457 HydrophobicContact CD2-CD2 4.04Å; L442-F457 HydrophobicContact CG-CD2 4.48Å
443V98.3Very high96.4Very high41 Ų4150.4 Ų50.425%0.24826%0.26CS..EExtended strand (participates in β ladder)trans-121.8119.1170.9-173.30000109A421 V423 A435 L438 A440A421-V443 HydrophobicContact CB-CG1 4.5Å; A421-V443 HydrophobicContact CB-CG2 4.39Å; A421-V443 WeakPolarHBondContact O-CA 3.29Å; V423-V443 HydrophobicContact CG2-CG1 4.31Å; A435-V443 HydrophobicContact CB-CB 4.35Å; A435-V443 HydrophobicContact CB-CG1 3.96Å; L438-V443 HydrophobicContact CB-CG2 4.18Å; L438-V443 HydrophobicContact CD1-CG1 4.13Å; A440-V443 HydrophobicContact CB-CG2 4.23Å
444W98.4Very high96.1Very high20 Ų2049.5 Ų49.58%0.07626%0.263CS..EExtended strand (participates in β ladder)trans-101.4144.1172.8-64.4-68.9000110.8L288 A421 T422 V423 L442 C447 W448 V450 R451L288-W444 HydrophobicContact CB-CH2 4.38Å; L288-W444 HydrophobicContact CD1-CH2 4.12Å; L288-W444 HydrophobicContact CD2-CH2 4.07Å; L288-W444 HydrophobicContact CG-CH2 4.41Å; A421-W444 PolarHBondContact O-N 3.44Å; T422-W444 CarbonylContact C-O 3.59Å; T422-W444 VanDerWaalsContact CA-O 3.24Å; T422-W444 WeakPolarHBondContact CA-O 3.17Å; T422-W444 HydrophobicContact CG2-CB 4.28Å; T422-W444 HydrophobicContact CG2-CE3 4.14Å; V423-W444 PolarHBondContact N-O 3.21Å; L442-W444 HydrophobicContact CB-CH2 4.42Å; L442-W444 HydrophobicContact CB-CZ2 4.46Å; L442-W444 HydrophobicContact CD2-CZ2 4.41Å; W444-C447 WeakPolarHBondContact CB-O 3.43Å; W444-W448 AromaticContact CE3-CD1 3.7Å; W444-W448 HydrophobicContact CE3-CG 4.43Å; W444-W448 AromaticContact CZ3-CD1 3.68Å; W444-W448 AromaticContact CZ3-NE1 3.85Å; W444-V450 PolarHBondContact NE1-O 3.46Å; W444-R451 HydrophobicContact CZ2-CG 4.23Å
445T98.3Very high95.9Very high54 Ų5454.7 Ų54.733%0.33129%0.291SS..EExtended strand (participates in β ladder)trans-120.3122.4177.360.70000108.7V423 V431 C447V423-T445 HydrophobicContact CB-CG2 4.41Å; V423-T445 CarbonylContact O-C 3.6Å; V423-T445 VanDerWaalsContact O-CA 3.25Å; V423-T445 WeakPolarHBondContact O-CA 3.37Å; V431-T445 HydrophobicContact CB-CG2 3.82Å; V431-T445 HydrophobicContact CG1-CG2 4.42Å; T445-C447 PolarHBondContact O-N 3.2Å; T445-C447 VanDerWaalsContact O-N 3.12Å
446N98.1Very high95.7Very high50 Ų5055.7 Ų55.727%0.26730%0.295SS..SBendtrans54.525.8-177.1-54.1-43.1000114.7V423 W424 S425V423-N446 PolarHBondContact O-N 3.25Å; W424-N446 WeakPolarHBondContact CA-OD1 3.49Å; W424-N446 HydrophobicContact CE3-CB 4.24Å; W424-N446 HydrophobicContact CZ3-CB 4.24Å; S425-N446 PolarHBondContact N-OD1 2.85Å; S425-N446 PolarHBondContact O-ND2 3.38Å; S425-N446 PolarHBondContact O-OD1 3.22Å
447C97.8Very high95.6Very high39 Ų3948.6 Ų48.626%0.26426%0.261SS..  trans-158.3173.4175.3700000110.5W444 T445 V450W444-C447 WeakPolarHBondContact CB-O 3.43Å; T445-C447 PolarHBondContact O-N 3.2Å; T445-C447 VanDerWaalsContact O-N 3.12Å; C447-V450 HydrophobicContact CB-CG2 4.01Å
448W97.8Very high95.5Very high4 Ų443.9 Ų43.92%0.01524%0.244CC..SBendtrans-152.4142.7173.2177.683.2000110.5T274 R277 S278 I286 L288 T422 W444 V450T274-W448 HydrophobicContact CG2-CB 3.83Å; R277-W448 PolarHBondContact NH2-O 2.89Å; S278-W448 VanDerWaalsContact CB-CE2 3.5Å; S278-W448 VanDerWaalsContact CB-CG 3.47Å; I286-W448 HydrophobicContact CD1-CH2 4.2Å; L288-W448 HydrophobicContact CB-CZ2 4.4Å; L288-W448 PolarHBondContact O-NE1 3.4Å; T422-W448 HydrophobicContact CG2-CB 4.31Å; T422-W448 HydrophobicContact CG2-CG 4.42Å; W444-W448 AromaticContact CE3-CD1 3.7Å; W444-W448 HydrophobicContact CE3-CG 4.43Å; W444-W448 AromaticContact CZ3-CD1 3.68Å; W444-W448 AromaticContact CZ3-NE1 3.85Å; W448-V450 PolarHBondContact O-N 3.05Å
449L93.1Very high95.3Very high50 Ų5043.6 Ų43.626%0.26224%0.242SC..SBendtrans6223.8179.3-156.471.7000114.5L288L288-L449 HydrophobicContact CD1-CD1 3.57Å
450V92.5Very high95.3Very high99 Ų9942.7 Ų42.760%0.624%0.239SC*.  trans-82.4117.6168-1780000107.9W444 C447 W448W444-V450 PolarHBondContact NE1-O 3.46Å; C447-V450 HydrophobicContact CB-CG2 4.01Å; W448-V450 PolarHBondContact O-N 3.05Å
451R88.1Confident95.2Very high51 Ų5146 Ų4619%0.19225%0.251CS..  trans-133.3127.6-171.9-61.5-170.8-51.9147.112.3112.5R109 Y159 W163 W444R109-R451 VanDerWaalsContact CZ-NH2 3.29Å; Y159-R451 PolarHBondContact OH-NH1 3.14Å; Y159-R451 PolarHBondContact OH-NH2 3.47Å; W163-R451 VanDerWaalsContact CH2-NH1 3.32Å; W444-R451 HydrophobicContact CZ2-CG 4.23Å
452D90.6Very high95.2Very high80 Ų8049.2 Ų49.243%0.42826%0.26SS..  trans-101.5124.4167.5-176.2-8.6000108.5N454 L455D452-N454 PolarHBondContact O-N 3.1Å; D452-N454 WeakPolarHBondContact OD1-CB 3.39Å; D452-N454 PolarHBondContact OD1-N 3.36Å; D452-N454 PolarHBondContact OD1-ND2 2.94Å; D452-L455 HydrophobicContact CB-CD1 4.21Å; D452-L455 HydrophobicContact CB-CG 4.17Å; D452-L455 PolarHBondContact O-N 3.17Å; D452-L455 VanDerWaalsContact O-N 3.15Å
453L91.4Very high95.3Very high1 Ų148.1 Ų48.11%0.00525%0.254CS..THydrogen-bonded Turntrans-67.9-13.9178.6-88.5176.1000113.3Y112 F116 W163 L455 G469 G470Y112-L453 HydrophobicContact CD1-CD1 3.61Å; Y112-L453 HydrophobicContact CE1-CD1 3.28Å; Y112-L453 HydrophobicContact CE1-CG 3.98Å; F116-L453 HydrophobicContact CB-CD1 3.4Å; F116-L453 HydrophobicContact CD1-CB 3.75Å; F116-L453 HydrophobicContact CD1-CD1 3.75Å; F116-L453 HydrophobicContact CD1-CG 4.23Å; F116-L453 HydrophobicContact CD2-CB 3.52Å; F116-L453 HydrophobicContact CD2-CD1 3.92Å; F116-L453 HydrophobicContact CD2-CG 4.36Å; F116-L453 HydrophobicContact CE1-CB 3.72Å; F116-L453 HydrophobicContact CE2-CB 3.47Å; F116-L453 VanDerWaalsContact CE2-CB 3.47Å; F116-L453 HydrophobicContact CG-CB 3.66Å; F116-L453 HydrophobicContact CG-CD1 3.38Å; F116-L453 HydrophobicContact CG-CG 4.12Å; F116-L453 VanDerWaalsContact CZ-C 3.47Å; F116-L453 HydrophobicContact CZ-CB 3.58Å; F116-L453 WeakPolarHBondContact CZ-O 3.43Å; W163-L453 HydrophobicContact CD2-CD2 4.48Å; W163-L453 HydrophobicContact CE3-CD2 3.93Å; W163-L453 HydrophobicContact CH2-CD2 3.13Å; W163-L453 HydrophobicContact CH2-CG 4.25Å; W163-L453 HydrophobicContact CZ2-CD2 3.71Å; W163-L453 HydrophobicContact CZ3-CD2 3.29Å; W163-L453 HydrophobicContact CZ3-CG 4.26Å; L453-L455 VanDerWaalsContact C-N 3.3Å; L453-G469 CarbonylContact O-C 3.54Å; L453-G470 WeakPolarHBondContact O-CA 3.47Å; L453-G470 PolarHBondContact O-N 3.41Å
454N92.7Very high95.2Very high93 Ų9346.5 Ų46.550%0.49725%0.246SC..THydrogen-bonded Turntrans-75.7-20.6173.1-64.1-71.6000113D452D452-N454 PolarHBondContact O-N 3.1Å; D452-N454 WeakPolarHBondContact OD1-CB 3.39Å; D452-N454 PolarHBondContact OD1-N 3.36Å; D452-N454 PolarHBondContact OD1-ND2 2.94Å
455L94.1Very high95.1Very high109 Ų10949.6 Ų49.657%0.57127%0.267SS*.SBendtrans-92.3149.4-179.7-64.2-178.4000111D452 L453 F457D452-L455 HydrophobicContact CB-CD1 4.21Å; D452-L455 HydrophobicContact CB-CG 4.17Å; D452-L455 PolarHBondContact O-N 3.17Å; D452-L455 VanDerWaalsContact O-N 3.15Å; L453-L455 VanDerWaalsContact C-N 3.3Å; L455-F457 PolarHBondContact O-N 2.96Å
456P93.8Very high94.9Very high52 Ų5248.7 Ų48.734%0.33827%0.268SS..  trans-63.6133.8177.525.5-33.8000110.8R467P456-R467 HydrophobicContact CB-CB 4.08Å; P456-R467 HydrophobicContact CB-CG 4Å
457F95.4Very high94.8Very high17 Ų1749.2 Ų49.28%0.07527%0.267CS..BIsolated β-bridgetrans-109.2127.1168.1-176.7-87.5000108.4W163 E253 L288 L442 L455 R467 E468W163-F457 HydrophobicContact CZ2-CB 4.03Å; W163-F457 HydrophobicContact CZ2-CG 4.27Å; E253-F457 WeakPolarHBondContact OE2-CD1 3.21Å; E253-F457 VanDerWaalsContact OE2-CE1 3.26Å; E253-F457 WeakPolarHBondContact OE2-CE1 3.5Å; L288-F457 HydrophobicContact CD1-CE2 3.72Å; L288-F457 HydrophobicContact CD1-CZ 3.93Å; L288-F457 HydrophobicContact CD2-CE2 3.93Å; L288-F457 HydrophobicContact CD2-CZ 3.95Å; L288-F457 HydrophobicContact CG-CE2 4.33Å; L288-F457 HydrophobicContact CG-CZ 4.24Å; L442-F457 HydrophobicContact CD1-CD2 3.67Å; L442-F457 HydrophobicContact CD1-CE2 3.54Å; L442-F457 HydrophobicContact CD1-CG 4.43Å; L442-F457 HydrophobicContact CD1-CZ 4.21Å; L442-F457 HydrophobicContact CD2-CD2 4.04Å; L442-F457 HydrophobicContact CG-CD2 4.48Å; L455-F457 PolarHBondContact O-N 2.96Å; F457-R467 CarbonylContact O-C 3.44Å; F457-R467 WeakPolarHBondContact O-CA 3.39Å; F457-R467 WeakPolarHBondContact O-CD 3.32Å; F457-E468 PolarHBondContact N-O 3.4Å; F457-E468 PolarHBondContact O-N 3.36Å
458G95Very high94.6Very high0 Ų047.8 Ų47.80%026%0.256CS..  trans153.316316800000115.3E253 G441 R467E253-G458 VanDerWaalsContact CD-CA 3.46Å; E253-G458 WeakPolarHBondContact OE1-CA 3.41Å; E253-G458 VanDerWaalsContact OE2-CA 3.23Å; E253-G458 WeakPolarHBondContact OE2-CA 3.25Å; G441-G458 VanDerWaalsContact CA-O 3.3Å; G441-G458 WeakPolarHBondContact CA-O 3.46Å; G458-R467 PolarHBondContact O-NE 2.99Å
459G95.8Very high94.3Very high1 Ų147.6 Ų47.61%0.0126%0.255CS..  trans-82.4152.9-168.400000115.8R467G459-R467 VanDerWaalsContact O-CZ 3.29Å; G459-R467 PolarHBondContact O-NH1 3.12Å; G459-R467 PolarHBondContact O-NH2 3.38Å; G459-R467 VanDerWaalsContact O-NH2 3.16Å
460M96.8Very high94.2Very high78 Ų7845.4 Ų45.438%0.38425%0.245SC..EExtended strand (participates in β ladder)trans-90.7170160.4-61.3-177.7-178.300110.3G418 A440 H462 S463G418-M460 PolarHBondContact O-N 3.46Å; A440-M460 WeakPolarHBondContact O-CE 3.49Å; M460-H462 PolarHBondContact O-N 2.8Å; M460-S463 WeakPolarHBondContact O-CB 3.31Å; M460-S463 PolarHBondContact O-N 2.7Å
461K97.1Very high94.2Very high78 Ų7847.4 Ų47.434%0.33925%0.245SC..EExtended strand (participates in β ladder)trans53.8-129.8176.2-53.9174.1176.1173.30111.4N413 V415 R416 Y417 S463N413-K461 PolarHBondContact O-NZ 3.07Å; V415-K461 PolarHBondContact O-NZ 3.36Å; R416-K461 WeakPolarHBondContact O-CB 3.3Å; Y417-K461 WeakPolarHBondContact O-CD 3.33Å; K461-S463 PolarHBondContact O-N 3Å
462H97.4Very high94.6Very high93 Ų9346.8 Ų46.843%0.43125%0.246SC..THydrogen-bonded Turntrans-82.73.9-179.5-68-141.4000113.3T233 L254 R416 M460T233-H462 HydrophobicContact CG2-CB 4.41Å; L254-H462 WeakPolarHBondContact CD1-O 3.4Å; R416-H462 HydrophobicContact CG-CB 4.43Å; R416-H462 WeakPolarHBondContact O-CB 3.37Å; R416-H462 PolarHBondContact O-N 3.39Å; R416-H462 VanDerWaalsContact O-N 3.14Å; M460-H462 PolarHBondContact O-N 2.8Å
463S98.3Very high94.8Very high0 Ų043.1 Ų43.10%023%0.226CC..THydrogen-bonded Turntrans-86.7-4.3177.2-69.40000113.6L254 G255 Y417 G418 L419 M460 K461L254-S463 WeakPolarHBondContact CA-O 3.29Å; L254-S463 WeakPolarHBondContact CB-O 3.48Å; L254-S463 PolarHBondContact N-O 2.91Å; G255-S463 WeakPolarHBondContact O-CB 3.46Å; G255-S463 PolarHBondContact O-OG 3.41Å; Y417-S463 WeakPolarHBondContact CA-OG 3.22Å; Y417-S463 WeakPolarHBondContact CB-OG 3.44Å; G418-S463 PolarHBondContact N-OG 3.3Å; L419-S463 PolarHBondContact N-OG 3.32Å; M460-S463 WeakPolarHBondContact O-CB 3.31Å; M460-S463 PolarHBondContact O-N 2.7Å; K461-S463 PolarHBondContact O-N 3Å
464G97.1Very high95Very high8 Ų843.3 Ų43.38%0.08223%0.227CC..EExtended strand (participates in β ladder)trans162.8174.4170.600000116.2L252L252-G464 CarbonylContact O-C 3.49Å; L252-G464 WeakPolarHBondContact O-CA 3Å
465V96.6Very high95.1Very high85 Ų8544.4 Ų44.452%0.51523%0.229SC..EExtended strand (participates in β ladder)trans-135.5130.5173177.40000107.6S251 L252S251-V465 CarbonylContact C-O 3.6Å; S251-V465 WeakPolarHBondContact CA-O 3.49Å; L252-V465 HydrophobicContact CB-CB 4.3Å; L252-V465 HydrophobicContact CD1-CB 4.26Å; L252-V465 HydrophobicContact CD1-CG2 4.29Å; L252-V465 HydrophobicContact CG-CB 4.41Å; L252-V465 PolarHBondContact N-O 3.01Å; L252-V465 PolarHBondContact O-N 3.37Å
466G94.6Very high95.3Very high35 Ų3540 Ų4036%0.36121%0.205SC..SBendtrans82.9-174.9-172.300000112.4
467R95.6Very high95.5Very high61 Ų6137.8 Ų37.823%0.2319%0.19CC..  trans-145.2147.5-179.8-68.9-63.8-178.9-92.57.3108.4P456 F457 G458 G459 D472P456-R467 HydrophobicContact CB-CB 4.08Å; P456-R467 HydrophobicContact CB-CG 4Å; F457-R467 CarbonylContact O-C 3.44Å; F457-R467 WeakPolarHBondContact O-CA 3.39Å; F457-R467 WeakPolarHBondContact O-CD 3.32Å; G458-R467 PolarHBondContact O-NE 2.99Å; G459-R467 VanDerWaalsContact O-CZ 3.29Å; G459-R467 PolarHBondContact O-NH1 3.12Å; G459-R467 PolarHBondContact O-NH2 3.38Å; G459-R467 VanDerWaalsContact O-NH2 3.16Å; R467-D472 HydrophobicContact CB-CB 3.6Å
468E93.3Very high95.6Very high8 Ų837.3 Ų37.34%0.03719%0.189CC..BIsolated β-bridgetrans-110163.1170.8-57.3-178.7141.100109.8W163 K164 S228 E253 F457W163-E468 PolarHBondContact NE1-OE2 3.48Å; K164-E468 IonicContact NZ-OE1 3.86Å; K164-E468 PolarHBondContact NZ-OE1 3.23Å; S228-E468 PolarHBondContact OG-OE1 3.13Å; E253-E468 HydrophobicContact CG-CG 4.18Å; F457-E468 PolarHBondContact N-O 3.4Å; F457-E468 PolarHBondContact O-N 3.36Å
469G92.1Very high95.7Very high0 Ų041.7 Ų41.70%021%0.209CC..SBendtrans99.5146.5-174.900000112.1L453 K471 D472 S473L453-G469 CarbonylContact O-C 3.54Å; G469-K471 PolarHBondContact O-N 2.94Å; G469-D472 WeakPolarHBondContact O-CB 3.45Å; G469-D472 PolarHBondContact O-N 3.2Å; G469-S473 PolarHBondContact N-OG 3.33Å; G469-S473 PolarHBondContact O-N 3.26Å
470G90.4Very high95.7Very high4 Ų445 Ų454%0.04123%0.229CC..Hα-helixtrans30.5-123.2174.200000115.4L453 D472 S473 Y474L453-G470 WeakPolarHBondContact O-CA 3.47Å; L453-G470 PolarHBondContact O-N 3.41Å; G470-D472 PolarHBondContact O-N 3.11Å; G470-S473 PolarHBondContact O-N 3.31Å; G470-Y474 WeakPolarHBondContact O-CD2 3.43Å; G470-Y474 WeakPolarHBondContact O-CE2 3.31Å; G470-Y474 PolarHBondContact O-N 3.49Å
471K92.6Very high95.7Very high141 Ų14146.7 Ų46.761%0.61323%0.234SC*.Hα-helixtrans-56.3-33.9-179.672.9-178.6-176.5-1800114.2G469 Y474 H475G469-K471 PolarHBondContact O-N 2.94Å; K471-Y474 PolarHBondContact O-N 3.36Å; K471-H475 PolarHBondContact O-N 3.08Å
472D95.3Very high95.8Very high39 Ų3947.5 Ų47.521%0.20925%0.25CC..Hα-helixtrans-74.1-41.1-173.4-64.6-87.4000111.1R467 G469 G470 Y474 H475 F476R467-D472 HydrophobicContact CB-CB 3.6Å; G469-D472 WeakPolarHBondContact O-CB 3.45Å; G469-D472 PolarHBondContact O-N 3.2Å; G470-D472 PolarHBondContact O-N 3.11Å; D472-Y474 VanDerWaalsContact C-N 3.27Å; D472-Y474 PolarHBondContact O-N 3.05Å; D472-H475 WeakPolarHBondContact O-CB 3.36Å; D472-H475 PolarHBondContact O-N 3.41Å; D472-H475 VanDerWaalsContact O-N 3.16Å; D472-F476 PolarHBondContact O-N 2.96Å
473S96.1Very high95.8Very high2 Ų245.4 Ų45.41%0.01424%0.241CC..Hα-helixtrans-55.7-44.3168.1-75.20000111.2G469 G470 H475 F476 F477G469-S473 PolarHBondContact N-OG 3.33Å; G469-S473 PolarHBondContact O-N 3.26Å; G470-S473 PolarHBondContact O-N 3.31Å; S473-H475 PolarHBondContact O-N 3.27Å; S473-F476 PolarHBondContact O-N 2.79Å; S473-F477 WeakPolarHBondContact O-CB 3.48Å; S473-F477 WeakPolarHBondContact O-CD2 3.27Å; S473-F477 PolarHBondContact O-N 2.87Å
474Y94.6Very high95.8Very high5 Ų549.5 Ų49.52%0.0227%0.267CS..Hα-helixtrans-65.8-37.6178-56.5-49.8000113F117 S120 V121 H124 R142 T171 G470 K471 D472 F476 F477 T478F117-Y474 AromaticContact CD1-CE1 3.92Å; F117-Y474 HydrophobicContact CD1-CE1 3.92Å; F117-Y474 AromaticContact CD1-CZ 3.78Å; F117-Y474 HydrophobicContact CE1-CE1 4.24Å; F117-Y474 HydrophobicContact CE1-CE2 4.47Å; S120-Y474 VanDerWaalsContact CB-OH 3.27Å; S120-Y474 WeakPolarHBondContact CB-OH 3.48Å; S120-Y474 PolarHBondContact OG-OH 3.06Å; V121-Y474 WeakPolarHBondContact CA-OH 3.25Å; V121-Y474 PolarHBondContact N-OH 3.22Å; H124-Y474 AromaticContact CD2-CD2 3.88Å; H124-Y474 AromaticContact CD2-CE2 3.68Å; H124-Y474 AromaticContact CD2-CZ 3.94Å; H124-Y474 AromaticContact CE1-CD2 3.02Å; H124-Y474 WeakPolarHBondContact CE1-CD2 3.46Å; H124-Y474 AromaticContact CE1-CE2 3.28Å; H124-Y474 WeakPolarHBondContact CE1-CE2 3.41Å; H124-Y474 AromaticContact CE1-CG 3.97Å; H124-Y474 AromaticContact ND1-CD2 3.87Å; H124-Y474 AromaticContact NE2-CD2 3.03Å; H124-Y474 WeakPolarHBondContact NE2-CD2 3.48Å; H124-Y474 AromaticContact NE2-CE2 2.75Å; H124-Y474 WeakPolarHBondContact NE2-CE2 3.38Å; H124-Y474 AromaticContact NE2-CG 3.98Å; H124-Y474 AromaticContact NE2-CZ 3.42Å; R142-Y474 PolarHBondContact NH1-O 3.36Å; T171-Y474 HydrophobicContact CG2-CD1 3.28Å; T171-Y474 HydrophobicContact CG2-CE1 3.82Å; T171-Y474 HydrophobicContact CG2-CG 4.34Å; G470-Y474 WeakPolarHBondContact O-CD2 3.43Å; G470-Y474 WeakPolarHBondContact O-CE2 3.31Å; G470-Y474 PolarHBondContact O-N 3.49Å; K471-Y474 PolarHBondContact O-N 3.36Å; D472-Y474 VanDerWaalsContact C-N 3.27Å; D472-Y474 PolarHBondContact O-N 3.05Å; Y474-F476 VanDerWaalsContact C-N 3.29Å; Y474-F476 PolarHBondContact O-N 3.41Å; Y474-F477 PolarHBondContact O-N 2.83Å; Y474-T478 WeakPolarHBondContact O-CB 3.36Å; Y474-T478 PolarHBondContact O-N 3.5Å; Y474-T478 PolarHBondContact O-OG1 3.29Å
475H95.1Very high95.8Very high117 Ų11752.9 Ų52.954%0.54228%0.282SS..Hα-helixtrans-61.5-39174-175.565.6000112.3K249 K471 D472 S473 T478K249-H475 PolarHBondContact NZ-O 3.23Å; K471-H475 PolarHBondContact O-N 3.08Å; D472-H475 WeakPolarHBondContact O-CB 3.36Å; D472-H475 PolarHBondContact O-N 3.41Å; D472-H475 VanDerWaalsContact O-N 3.16Å; S473-H475 PolarHBondContact O-N 3.27Å; H475-T478 VanDerWaalsContact O-O 3.08Å
476F97.9Very high95.8Very high17 Ų1756.8 Ų56.88%0.07529%0.292CS..Hα-helixtrans-68.7-50175.7-179.6-110.7000112.2L226 I227 K249 S251 D472 S473 Y474 T478L226-F476 HydrophobicContact CB-CE1 4.42Å; L226-F476 HydrophobicContact CB-CZ 3.95Å; L226-F476 HydrophobicContact CD1-CE1 3.71Å; L226-F476 HydrophobicContact CD1-CZ 4.06Å; I227-F476 WeakPolarHBondContact O-CZ 3.31Å; K249-F476 HydrophobicContact CB-CD2 4.22Å; K249-F476 HydrophobicContact CB-CE2 3.67Å; K249-F476 HydrophobicContact CB-CZ 4.45Å; K249-F476 VanDerWaalsContact CE-O 3.29Å; K249-F476 WeakPolarHBondContact CE-O 3.19Å; K249-F476 PolarHBondContact NZ-O 3.04Å; S251-F476 VanDerWaalsContact N-CE2 3.32Å; D472-F476 PolarHBondContact O-N 2.96Å; S473-F476 PolarHBondContact O-N 2.79Å; Y474-F476 VanDerWaalsContact C-N 3.29Å; Y474-F476 PolarHBondContact O-N 3.41Å; F476-T478 VanDerWaalsContact C-N 3.33Å; F476-T478 PolarHBondContact O-N 3Å
477F98.4Very high95.5Very high4 Ų463 Ų632%0.01831%0.311CS..Hα-helixtrans-82.92-173.3-71.3-65.3000115.2V145 A148 L150 P167 A168 T171 N173 L226 S473 Y474V145-F477 PolarHBondContact N-O 3.34Å; A148-F477 HydrophobicContact CB-CE1 4.26Å; L150-F477 HydrophobicContact CD2-CE1 4.01Å; L150-F477 HydrophobicContact CD2-CZ 4.13Å; P167-F477 HydrophobicContact CB-CD2 3.82Å; P167-F477 HydrophobicContact CB-CE2 3.84Å; P167-F477 HydrophobicContact CG-CD2 4.13Å; P167-F477 HydrophobicContact CG-CE2 3.6Å; P167-F477 HydrophobicContact CG-CZ 4.44Å; A168-F477 HydrophobicContact CB-CD1 3.75Å; A168-F477 HydrophobicContact CB-CE1 3.5Å; A168-F477 VanDerWaalsContact CB-CE1 3.5Å; A168-F477 HydrophobicContact CB-CE2 4.4Å; A168-F477 HydrophobicContact CB-CG 4.31Å; A168-F477 HydrophobicContact CB-CZ 3.86Å; T171-F477 HydrophobicContact CG2-CB 4.28Å; T171-F477 WeakPolarHBondContact OG1-CB 3.5Å; N173-F477 PolarHBondContact ND2-O 2.83Å; N173-F477 PolarHBondContact OD1-O 3.21Å; L226-F477 HydrophobicContact CD1-CD1 3.65Å; L226-F477 HydrophobicContact CD1-CE1 3.56Å; S473-F477 WeakPolarHBondContact O-CB 3.48Å; S473-F477 WeakPolarHBondContact O-CD2 3.27Å; S473-F477 PolarHBondContact O-N 2.87Å; Y474-F477 PolarHBondContact O-N 2.83Å
478T97.8Very high95.5Very high7 Ų763.1 Ų63.14%0.04332%0.315CS..EExtended strand (participates in β ladder)trans-136.3158175.162.60000112.6R142 C143 T171 K249 Y474 H475 F476R142-T478 HydrophobicContact CB-CG2 4.32Å; R142-T478 PolarHBondContact NH1-OG1 2.93Å; C143-T478 CarbonylContact O-C 3.46Å; C143-T478 WeakPolarHBondContact O-CA 3.44Å; C143-T478 WeakPolarHBondContact O-CB 3.24Å; T171-T478 HydrophobicContact CG2-CG2 3.77Å; K249-T478 PolarHBondContact NZ-O 2.95Å; Y474-T478 WeakPolarHBondContact O-CB 3.36Å; Y474-T478 PolarHBondContact O-N 3.5Å; Y474-T478 PolarHBondContact O-OG1 3.29Å; H475-T478 VanDerWaalsContact O-O 3.08Å; F476-T478 VanDerWaalsContact C-N 3.33Å; F476-T478 PolarHBondContact O-N 3Å
479E97.1Very high95.6Very high93 Ų9365.9 Ų65.944%0.43533%0.33SS..EExtended strand (participates in β ladder)trans-101.7140165.1-72-49.5132.600111R142 C143 V145 K249R142-E479 CarbonylContact C-O 3.52Å; R142-E479 WeakPolarHBondContact CA-O 3.13Å; C143-E479 PolarHBondContact N-O 2.9Å; C143-E479 PolarHBondContact O-N 3.25Å; V145-E479 HydrophobicContact CG2-CG 4.24Å; K249-E479 WeakPolarHBondContact CD-OE1 3.48Å; K249-E479 VanDerWaalsContact CE-OE1 3.3Å; K249-E479 WeakPolarHBondContact CE-OE1 3.26Å; K249-E479 IonicContact NZ-OE1 3.56Å; K249-E479 PolarHBondContact NZ-OE1 2.95Å
480V96.5Very high95.8Very high70 Ų7069.6 Ų69.642%0.42435%0.348SS..EExtended strand (participates in β ladder)trans-89.4121.3174-176.90000108.6T140 R142T140-V480 HydrophobicContact CG2-CG1 3.97Å; R142-V480 HydrophobicContact CG-CG2 4.32Å
481K97Very high96.1Very high113 Ų11373.5 Ų73.549%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-110.1123.4176179.7-173-60.61750109.3T140 V141 I483T140-K481 CarbonylContact C-O 3.53Å; T140-K481 VanDerWaalsContact CA-O 3.29Å; T140-K481 WeakPolarHBondContact CA-O 3.38Å; V141-K481 HydrophobicContact CG2-CB 3.8Å; V141-K481 HydrophobicContact CG2-CD 4.15Å; V141-K481 HydrophobicContact CG2-CG 4.32Å; V141-K481 PolarHBondContact N-O 3.36Å; V141-K481 PolarHBondContact O-N 3.36Å; K481-I483 HydrophobicContact CD-CD1 4.37Å; K481-I483 HydrophobicContact CD-CG1 4.3Å; K481-I483 HydrophobicContact CG-CG1 4.25Å
482S97.9Very high96.3Very high95 Ų9569.3 Ų69.366%0.66435%0.351SS*.EExtended strand (participates in β ladder)trans-87.2133.6171.4-61.40000110
483I97.9Very high96.4Very high50 Ų5071.3 Ų71.326%0.25636%0.36SS..EExtended strand (participates in β ladder)trans-124.1127.8178.5-59.1171.2000108N138 Y139 V141 K481 I485N138-I483 WeakPolarHBondContact CA-O 3.46Å; Y139-I483 HydrophobicContact CD1-CB 4.34Å; Y139-I483 HydrophobicContact CD2-CB 4.46Å; Y139-I483 HydrophobicContact CE1-CB 3.88Å; Y139-I483 HydrophobicContact CE1-CG2 3.69Å; Y139-I483 HydrophobicContact CE2-CB 4.03Å; Y139-I483 HydrophobicContact CE2-CD1 3.68Å; Y139-I483 HydrophobicContact CE2-CG1 4.36Å; Y139-I483 HydrophobicContact CE2-CG2 4.41Å; Y139-I483 PolarHBondContact N-O 3.49Å; Y139-I483 PolarHBondContact O-N 2.71Å; Y139-I483 WeakPolarHBondContact OH-CG2 3.33Å; V141-I483 HydrophobicContact CG1-CD1 4.16Å; V141-I483 HydrophobicContact CG2-CD1 3.94Å; K481-I483 HydrophobicContact CD-CD1 4.37Å; K481-I483 HydrophobicContact CD-CG1 4.3Å; K481-I483 HydrophobicContact CG-CG1 4.25Å; I483-I485 HydrophobicContact CG2-CG1 4.3Å
484T98Very high96.4Very high86 Ų8676.2 Ų76.253%0.52839%0.385SS..EExtended strand (participates in β ladder)trans-116.3124.7176.3-59.50000109.3C136 L137 N138C136-T484 HydrophobicContact CB-CG2 4.19Å; L137-T484 CarbonylContact O-C 3.56Å; L137-T484 WeakPolarHBondContact O-CA 3.36Å; N138-T484 WeakPolarHBondContact OD1-CB 3.47Å; N138-T484 WeakPolarHBondContact OD1-CG2 3.14Å; N138-T484 PolarHBondContact OD1-OG1 3.02Å
485I97.8Very high96.6Very high79 Ų7981.7 Ų81.741%0.40541%0.413SS..EExtended strand (participates in β ladder)trans-113.2117.1175.2-57.4179000108.3C136 L137 Y139 I483C136-I485 WeakPolarHBondContact CA-O 3.24Å; L137-I485 PolarHBondContact N-O 3.42Å; L137-I485 PolarHBondContact O-N 2.87Å; Y139-I485 HydrophobicContact CE1-CD1 3.82Å; Y139-I485 HydrophobicContact CE1-CG1 4.2Å; I483-I485 HydrophobicContact CG2-CG1 4.3Å
486K95.6Very high96.7Very high166 Ų16678.8 Ų78.872%0.72240%0.402SS*.EExtended strand (participates in β ladder)trans-85.8129.9169.9-170.8172.7-175.6176.60109.5G135G135-K486 CarbonylContact O-C 3.55Å; G135-K486 WeakPolarHBondContact O-CA 3.36Å
487H88.4Confident96.6Very high165 Ų16584.4 Ų84.476%0.76443%0.432SS*.  trans-133.40-178.356.7-85000112.2G135G135-H487 PolarHBondContact O-N 3.1Å; G135-H487 PolarHBondContact O-ND1 2.75Å

Retrieved 487 of 487 residues in 364.1 ms (Link to these results)

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