A0A077ZKS2_TRITR Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZKS2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 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
1M46.3Very low80.5Confident235 Ų23592.5 Ų92.5100%1.15853%0.526SS*.  0116.30-148.3174.7-169.500106.3I3M1-I3 PolarHBondContact O-N 3.24Å
2K59Low81.7Confident151 Ų15189.9 Ų89.966%0.65752%0.516SS*.PPolyproline II helixtrans-64.3122.5178.1-79.5-175.5173.3-178.40108.5E225K2-E225 WeakPolarHBondContact CE-OE2 3.32Å
3I72.3Confident82.6Confident55 Ų5583.5 Ų83.528%0.28248%0.479SS..PPolyproline II helixtrans-66.3136.117957.3158.8000109.8M1 P12M1-I3 PolarHBondContact O-N 3.24Å; I3-P12 HydrophobicContact CD1-CB 4.14Å; I3-P12 HydrophobicContact CG1-CB 3.74Å; I3-P12 WeakPolarHBondContact O-CB 3.43Å
4G79.3Confident83.4Confident73 Ų7378.6 Ų78.675%0.75345%0.451SS*.PPolyproline II helixtrans-92.7128.2169.700000109.4
5C87.9Confident84.2Confident34 Ų3474.3 Ų74.323%0.2343%0.425CS..PPolyproline II helixtrans-94123.7172.9-55.20000109.8T10 F11 P12 C26C5-T10 WeakPolarHBondContact CB-OG1 3.06Å; C5-F11 VanDerWaalsContact SG-C 3.57Å; C5-P12 VanDerWaalsContact SG-CA 3.6Å; C5-P12 VanDerWaalsContact SG-N 3.43Å; C5-C26 WeakPolarHBondContact CA-SG 3.45Å; C5-C26 HydrophobicContact CB-CB 3.83Å; C5-C26 WeakPolarHBondContact CB-SG 3.29Å; C5-C26 WeakPolarHBondContact SG-CA 3.42Å; C5-C26 WeakPolarHBondContact SG-CB 3.4Å; C5-C26 CovalentContact SG-SG 2.04Å; C5-C26 PolarHBondContact SG-SG 3.39Å
6S84.7Confident84.8Confident123 Ų12373.1 Ų73.186%0.8641%0.414SS*.  trans-92.3-17.7-174.6560000113.9
7Q86.5Confident85.3Confident129 Ų12973.6 Ų73.660%0.60341%0.408SS*.SBendtrans-83.7147.4-176.1-66.9-177.7200111.8T10Q7-T10 HydrophobicContact CB-CG2 3.65Å; Q7-T10 PolarHBondContact O-N 3.35Å; Q7-T10 PolarHBondContact O-OG1 3.45Å
8A88.6Confident85.7Confident86 Ų8674.1 Ų74.171%0.71140%0.403SS*.THydrogen-bonded Turntrans-56.2144.3173.600000111.2T10A8-T10 PolarHBondContact O-N 3.26Å; A8-T10 VanDerWaalsContact O-N 3.13Å
9R92.5Very high85.7Confident109 Ų10974.1 Ų74.141%0.41141%0.409SS..THydrogen-bonded Turntrans57.225178.8-59.7175.7177.5171.47.2114.4R28 Y29 I32 E34R9-R28 WeakPolarHBondContact O-CA 3.41Å; R9-Y29 HydrophobicContact CB-CD2 4.4Å; R9-Y29 VanDerWaalsContact O-CD2 3.23Å; R9-Y29 WeakPolarHBondContact O-CD2 3.42Å; R9-Y29 PolarHBondContact O-N 2.97Å; R9-I32 HydrophobicContact CG-CG2 4.24Å; R9-E34 VanDerWaalsContact CG-OE1 3.25Å; R9-E34 WeakPolarHBondContact CG-OE1 3.4Å; R9-E34 IonicContact CZ-OE1 2.9Å; R9-E34 IonicContact NE-OE1 2.8Å; R9-E34 PolarHBondContact NE-OE1 2.98Å; R9-E34 IonicContact NH2-OE1 3.22Å
10T94.4Very high85.6Confident14 Ų1474.2 Ų74.29%0.08642%0.42CS..EExtended strand (participates in β ladder)trans-100.6157.6171.161.10000112.4C5 Q7 A8 L27 R28C5-T10 WeakPolarHBondContact CB-OG1 3.06Å; Q7-T10 HydrophobicContact CB-CG2 3.65Å; Q7-T10 PolarHBondContact O-N 3.35Å; Q7-T10 PolarHBondContact O-OG1 3.45Å; A8-T10 PolarHBondContact O-N 3.26Å; A8-T10 VanDerWaalsContact O-N 3.13Å; T10-L27 CarbonylContact C-O 3.49Å; T10-L27 WeakPolarHBondContact CA-O 3.48Å; T10-L27 WeakPolarHBondContact CB-O 3.35Å; T10-R28 HydrophobicContact CG2-CB 3.94Å; T10-R28 HydrophobicContact CG2-CG 3.98Å
11F94.4Very high85.7Confident8 Ų876.9 Ų76.94%0.03543%0.429CS..EExtended strand (participates in β ladder)trans-145.7142.3174.161.2-80.3000109.9C5 V13 L27 Y29 F110 N128C5-F11 VanDerWaalsContact SG-C 3.57Å; F11-V13 HydrophobicContact CD2-CG2 3.72Å; F11-V13 HydrophobicContact CE2-CG2 3.57Å; F11-L27 HydrophobicContact CD1-CB 4.24Å; F11-L27 WeakPolarHBondContact CD1-O 3.32Å; F11-L27 HydrophobicContact CD2-CB 4.35Å; F11-L27 HydrophobicContact CE1-CB 3.66Å; F11-L27 HydrophobicContact CE2-CB 3.79Å; F11-L27 HydrophobicContact CE2-CD1 3.81Å; F11-L27 HydrophobicContact CE2-CG 4.32Å; F11-L27 HydrophobicContact CZ-CB 3.41Å; F11-L27 VanDerWaalsContact CZ-CB 3.41Å; F11-L27 HydrophobicContact CZ-CD1 3.84Å; F11-L27 HydrophobicContact CZ-CG 4.26Å; F11-L27 PolarHBondContact N-O 3.1Å; F11-L27 PolarHBondContact O-N 3.48Å; F11-Y29 AromaticContact CD1-CD2 3.97Å; F11-Y29 HydrophobicContact CD1-CD2 3.97Å; F11-Y29 HydrophobicContact CD1-CE1 4.1Å; F11-Y29 AromaticContact CD1-CE2 3.29Å; F11-Y29 HydrophobicContact CD1-CE2 3.29Å; F11-Y29 AromaticContact CD1-CZ 3.36Å; F11-Y29 WeakPolarHBondContact CD1-OH 2.58Å; F11-Y29 HydrophobicContact CE1-CD1 4.09Å; F11-Y29 HydrophobicContact CE1-CD2 4.17Å; F11-Y29 AromaticContact CE1-CE1 3.63Å; F11-Y29 HydrophobicContact CE1-CE1 3.63Å; F11-Y29 AromaticContact CE1-CE2 3.69Å; F11-Y29 HydrophobicContact CE1-CE2 3.69Å; F11-Y29 HydrophobicContact CE1-CG 4.34Å; F11-Y29 AromaticContact CE1-CZ 3.38Å; F11-Y29 HydrophobicContact CG-CE2 4.21Å; F11-Y29 HydrophobicContact CZ-CE1 4.31Å; F11-F110 HydrophobicContact CE1-CD1 4.35Å; F11-F110 HydrophobicContact CZ-CD1 4.19Å; F11-F110 HydrophobicContact CZ-CE1 4.47Å; F11-N128 HydrophobicContact CD2-CB 3.86Å; F11-N128 HydrophobicContact CE2-CB 4.04Å
12P94.2Very high87.8Confident62 Ų6269.9 Ų69.940%0.40340%0.399SS..EExtended strand (participates in β ladder)trans-78.6141.3179.732.5-34.7000110.7I3 C5I3-P12 HydrophobicContact CD1-CB 4.14Å; I3-P12 HydrophobicContact CG1-CB 3.74Å; I3-P12 WeakPolarHBondContact O-CB 3.43Å; C5-P12 VanDerWaalsContact SG-CA 3.6Å; C5-P12 VanDerWaalsContact SG-N 3.43Å
13V93.7Very high89.4Confident7 Ų764.5 Ų64.54%0.04238%0.384CS..EExtended strand (participates in β ladder)trans-134.7131.2165.9-175.70000108.5F11 F15 S24 S25 L27 V124 V224F11-V13 HydrophobicContact CD2-CG2 3.72Å; F11-V13 HydrophobicContact CE2-CG2 3.57Å; V13-F15 HydrophobicContact CB-CE2 4.31Å; V13-F15 HydrophobicContact CG1-CD2 3.82Å; V13-F15 HydrophobicContact CG1-CE1 4.22Å; V13-F15 HydrophobicContact CG1-CE2 3.28Å; V13-F15 HydrophobicContact CG1-CG 4.46Å; V13-F15 HydrophobicContact CG1-CZ 3.53Å; V13-S24 CarbonylContact O-C 3.51Å; V13-S24 WeakPolarHBondContact O-CA 3.41Å; V13-S25 PolarHBondContact N-O 3.28Å; V13-S25 PolarHBondContact O-N 2.78Å; V13-L27 HydrophobicContact CB-CD1 4.26Å; V13-L27 HydrophobicContact CG2-CD1 3.65Å; V13-L27 HydrophobicContact CG2-CG 4.21Å; V13-V124 HydrophobicContact CG1-CG1 3.89Å; V13-V124 HydrophobicContact CG2-CG1 4.3Å; V13-V224 HydrophobicContact CG1-CG1 4.43Å
14T94.5Very high90.3Very high14 Ų1464.2 Ų64.29%0.08639%0.386CS..EExtended strand (participates in β ladder)trans-121.8110.2176.3-50.60000108.6A23 S24 E225T14-A23 CarbonylContact C-O 3.57Å; T14-A23 WeakPolarHBondContact CA-O 3.43Å; T14-S24 WeakPolarHBondContact CG2-OG 3.45Å; T14-S24 PolarHBondContact OG1-OG 3.06Å; T14-E225 PolarHBondContact OG1-OE1 2.8Å
15F94.6Very high91Very high14 Ų1463.8 Ų63.86%0.06137%0.372CS..EExtended strand (participates in β ladder)trans-92.6136.6175-70.6-73.9000110.6V13 Y17 T22 A23 L121 V124 V224 F229 Y236V13-F15 HydrophobicContact CB-CE2 4.31Å; V13-F15 HydrophobicContact CG1-CD2 3.82Å; V13-F15 HydrophobicContact CG1-CE1 4.22Å; V13-F15 HydrophobicContact CG1-CE2 3.28Å; V13-F15 HydrophobicContact CG1-CG 4.46Å; V13-F15 HydrophobicContact CG1-CZ 3.53Å; F15-Y17 HydrophobicContact CB-CD2 4.4Å; F15-Y17 HydrophobicContact CB-CE2 3.72Å; F15-T22 CarbonylContact O-C 3.44Å; F15-T22 WeakPolarHBondContact O-CA 3.38Å; F15-A23 PolarHBondContact N-O 3.37Å; F15-A23 PolarHBondContact O-N 2.86Å; F15-L121 HydrophobicContact CE2-CD1 3.45Å; F15-L121 VanDerWaalsContact CE2-CD1 3.45Å; F15-L121 HydrophobicContact CZ-CD1 3.77Å; F15-V124 HydrophobicContact CE1-CG2 4.04Å; F15-V124 HydrophobicContact CZ-CB 4.29Å; F15-V124 HydrophobicContact CZ-CG1 4.42Å; F15-V124 HydrophobicContact CZ-CG2 4.24Å; F15-V224 HydrophobicContact CD1-CG1 3.7Å; F15-V224 HydrophobicContact CE1-CG1 3.77Å; F15-V224 HydrophobicContact CG-CG1 4.5Å; F15-F229 HydrophobicContact CB-CB 4.45Å; F15-F229 HydrophobicContact CD1-CB 4.39Å; F15-F229 AromaticContact CD1-CD2 3.42Å; F15-F229 HydrophobicContact CD1-CD2 3.42Å; F15-F229 VanDerWaalsContact CD1-CD2 3.42Å; F15-F229 HydrophobicContact CD1-CE2 4.07Å; F15-F229 HydrophobicContact CD1-CG 4.24Å; F15-F229 AromaticContact CE1-CD2 3.67Å; F15-F229 HydrophobicContact CE1-CD2 3.67Å; F15-F229 AromaticContact CE1-CE2 3.91Å; F15-F229 HydrophobicContact CE1-CE2 3.91Å; F15-F229 HydrophobicContact CG-CD2 4.06Å; F15-F229 HydrophobicContact CZ-CE2 4.36Å; F15-Y236 HydrophobicContact CE1-CE1 4.17Å
16F94.7Very high91.3Very high56 Ų5664.7 Ų64.725%0.24638%0.378CS..EExtended strand (participates in β ladder)trans-94.4129168.7177.7-123000109.4T22 P228 F229F16-T22 HydrophobicContact CD2-CG2 3.95Å; F16-P228 HydrophobicContact CD1-CB 4.41Å; F16-P228 HydrophobicContact CD1-CG 3.96Å; F16-P228 HydrophobicContact CE1-CG 3.86Å; F16-P228 CarbonylContact O-C 3.21Å; F16-P228 WeakPolarHBondContact O-CA 3.47Å; F16-F229 WeakPolarHBondContact O-CB 3.46Å; F16-F229 PolarHBondContact O-N 2.84Å
17Y93.5Very high91.8Very high82 Ų8259.5 Ų59.532%0.32234%0.341SS..  trans-105.9156.8178.9-69.4-95.3000110.9F15 S19 A20 E21 A23 F229F15-Y17 HydrophobicContact CB-CD2 4.4Å; F15-Y17 HydrophobicContact CB-CE2 3.72Å; Y17-S19 PolarHBondContact O-N 3.23Å; Y17-A20 WeakPolarHBondContact O-CA 3.43Å; Y17-A20 PolarHBondContact O-N 3.01Å; Y17-E21 PolarHBondContact N-O 3.15Å; Y17-A23 HydrophobicContact CD2-CB 4.41Å; Y17-A23 HydrophobicContact CE2-CB 3.67Å; Y17-F229 HydrophobicContact CD1-CB 4.16Å; Y17-F229 HydrophobicContact CD1-CD1 4.15Å; Y17-F229 HydrophobicContact CE1-CB 4.13Å; Y17-F229 AromaticContact CE1-CD1 3.56Å; Y17-F229 HydrophobicContact CE1-CD1 3.56Å; Y17-F229 HydrophobicContact CE1-CE1 4.27Å; Y17-F229 HydrophobicContact CE1-CG 4.05Å
18R90.9Very high92.3Very high82 Ų8258.6 Ų58.631%0.30933%0.331SS..THydrogen-bonded Turntrans-63.8-18.7177.6-72-167.2-175.9-98.14.8114A20 E195 N197 P228R18-A20 PolarHBondContact O-N 3.27Å; R18-E195 WeakPolarHBondContact CD-O 3.28Å; R18-E195 PolarHBondContact NE-O 3.27Å; R18-N197 PolarHBondContact NH1-OD1 3.39Å; R18-P228 HydrophobicContact CG-CB 3.54Å; R18-P228 HydrophobicContact CG-CG 4.28Å
19S87.4Confident92.7Very high74 Ų7454.7 Ų54.752%0.51730%0.298SS..THydrogen-bonded Turntrans-651.3167.855.20000113.7Y17 E21Y17-S19 PolarHBondContact O-N 3.23Å; S19-E21 PolarHBondContact O-N 3.42Å; S19-E21 WeakPolarHBondContact OG-CB 3.35Å; S19-E21 WeakPolarHBondContact OG-CG 3.03Å; S19-E21 PolarHBondContact OG-OE2 2.98Å
20A82.8Confident92.9Very high76 Ų7651.2 Ų51.263%0.62829%0.288SS*.SBendtrans63.912.8-169.700000114Y17 R18Y17-A20 WeakPolarHBondContact O-CA 3.43Å; Y17-A20 PolarHBondContact O-N 3.01Å; R18-A20 PolarHBondContact O-N 3.27Å
21E88.2Confident93.1Very high130 Ų13050.8 Ų50.861%0.60729%0.285SS*.  trans-88.8149.2174.2-63.3169.4153.300110.7Y17 S19Y17-E21 PolarHBondContact N-O 3.15Å; S19-E21 PolarHBondContact O-N 3.42Å; S19-E21 WeakPolarHBondContact OG-CB 3.35Å; S19-E21 WeakPolarHBondContact OG-CG 3.03Å; S19-E21 PolarHBondContact OG-OE2 2.98Å
22T90.6Very high93.3Very high88 Ų8850.5 Ų50.554%0.5428%0.284SS..EExtended strand (participates in β ladder)trans-113.913117056.60000110.1F15 F16F15-T22 CarbonylContact O-C 3.44Å; F15-T22 WeakPolarHBondContact O-CA 3.38Å; F16-T22 HydrophobicContact CD2-CG2 3.95Å
23A91.6Very high93.4Very high39 Ų3948.6 Ų48.632%0.32227%0.27SS..EExtended strand (participates in β ladder)trans-108.6118.717100000109.8T14 F15 Y17T14-A23 CarbonylContact C-O 3.57Å; T14-A23 WeakPolarHBondContact CA-O 3.43Å; F15-A23 PolarHBondContact N-O 3.37Å; F15-A23 PolarHBondContact O-N 2.86Å; Y17-A23 HydrophobicContact CD2-CB 4.41Å; Y17-A23 HydrophobicContact CE2-CB 3.67Å
24S92Very high93.6Very high49 Ų4952 Ų5234%0.34329%0.285SS..EExtended strand (participates in β ladder)trans-100.3139.1174.7-54.30000110.2V13 T14V13-S24 CarbonylContact O-C 3.51Å; V13-S24 WeakPolarHBondContact O-CA 3.41Å; T14-S24 WeakPolarHBondContact CG2-OG 3.45Å; T14-S24 PolarHBondContact OG1-OG 3.06Å
25S92.6Very high93.7Very high63 Ų6353 Ų5344%0.44129%0.29SS..EExtended strand (participates in β ladder)trans-145.1142.8178.1-69.30000111.3V13V13-S25 PolarHBondContact N-O 3.28Å; V13-S25 PolarHBondContact O-N 2.78Å
26C94.1Very high93.9Very high54 Ų5452.4 Ų52.437%0.36529%0.288SS..EExtended strand (participates in β ladder)trans-91.697.8168.3-74.40000109C5C5-C26 WeakPolarHBondContact CA-SG 3.45Å; C5-C26 HydrophobicContact CB-CB 3.83Å; C5-C26 WeakPolarHBondContact CB-SG 3.29Å; C5-C26 WeakPolarHBondContact SG-CA 3.42Å; C5-C26 WeakPolarHBondContact SG-CB 3.4Å; C5-C26 CovalentContact SG-SG 2.04Å; C5-C26 PolarHBondContact SG-SG 3.39Å
27L95.4Very high94.1Very high14 Ų1450.1 Ų50.17%0.07328%0.279CS..EExtended strand (participates in β ladder)trans-78.1151.8173.8-58.8-179000109.5T10 F11 V13 N111 F112 L121 S125T10-L27 CarbonylContact C-O 3.49Å; T10-L27 WeakPolarHBondContact CA-O 3.48Å; T10-L27 WeakPolarHBondContact CB-O 3.35Å; F11-L27 HydrophobicContact CD1-CB 4.24Å; F11-L27 WeakPolarHBondContact CD1-O 3.32Å; F11-L27 HydrophobicContact CD2-CB 4.35Å; F11-L27 HydrophobicContact CE1-CB 3.66Å; F11-L27 HydrophobicContact CE2-CB 3.79Å; F11-L27 HydrophobicContact CE2-CD1 3.81Å; F11-L27 HydrophobicContact CE2-CG 4.32Å; F11-L27 HydrophobicContact CZ-CB 3.41Å; F11-L27 VanDerWaalsContact CZ-CB 3.41Å; F11-L27 HydrophobicContact CZ-CD1 3.84Å; F11-L27 HydrophobicContact CZ-CG 4.26Å; F11-L27 PolarHBondContact N-O 3.1Å; F11-L27 PolarHBondContact O-N 3.48Å; V13-L27 HydrophobicContact CB-CD1 4.26Å; V13-L27 HydrophobicContact CG2-CD1 3.65Å; V13-L27 HydrophobicContact CG2-CG 4.21Å; L27-N111 WeakPolarHBondContact CA-OD1 3.38Å; L27-F112 HydrophobicContact CD2-CD1 4.41Å; L27-L121 HydrophobicContact CD1-CD1 3.52Å; L27-L121 HydrophobicContact CD1-CG 4.28Å; L27-L121 HydrophobicContact CD2-CD1 4.4Å; L27-S125 WeakPolarHBondContact CD1-OG 3.35Å
28R96.6Very high94.2Very high109 Ų10954.2 Ų54.241%0.41129%0.294SS..EExtended strand (participates in β ladder)trans-126.1137.2-175.2-170175.465.7157-0.2110.7R9 T10 I30 F110 N111R9-R28 WeakPolarHBondContact O-CA 3.41Å; T10-R28 HydrophobicContact CG2-CB 3.94Å; T10-R28 HydrophobicContact CG2-CG 3.98Å; R28-I30 PolarHBondContact O-N 2.95Å; R28-F110 WeakPolarHBondContact O-CA 3.42Å; R28-N111 HydrophobicContact CB-CB 4.13Å; R28-N111 PolarHBondContact N-OD1 3.28Å; R28-N111 PolarHBondContact O-N 3.44Å; R28-N111 PolarHBondContact O-OD1 3.4Å
29Y97.8Very high94.5Very high4 Ų457.2 Ų57.22%0.01631%0.309CS..BIsolated β-bridgetrans-79.8113.6164.9-52-77.5000109.7R9 F11 I32 V108 Q109 F110 W129 Y133R9-Y29 HydrophobicContact CB-CD2 4.4Å; R9-Y29 VanDerWaalsContact O-CD2 3.23Å; R9-Y29 WeakPolarHBondContact O-CD2 3.42Å; R9-Y29 PolarHBondContact O-N 2.97Å; F11-Y29 AromaticContact CD1-CD2 3.97Å; F11-Y29 HydrophobicContact CD1-CD2 3.97Å; F11-Y29 HydrophobicContact CD1-CE1 4.1Å; F11-Y29 AromaticContact CD1-CE2 3.29Å; F11-Y29 HydrophobicContact CD1-CE2 3.29Å; F11-Y29 AromaticContact CD1-CZ 3.36Å; F11-Y29 WeakPolarHBondContact CD1-OH 2.58Å; F11-Y29 HydrophobicContact CE1-CD1 4.09Å; F11-Y29 HydrophobicContact CE1-CD2 4.17Å; F11-Y29 AromaticContact CE1-CE1 3.63Å; F11-Y29 HydrophobicContact CE1-CE1 3.63Å; F11-Y29 AromaticContact CE1-CE2 3.69Å; F11-Y29 HydrophobicContact CE1-CE2 3.69Å; F11-Y29 HydrophobicContact CE1-CG 4.34Å; F11-Y29 AromaticContact CE1-CZ 3.38Å; F11-Y29 HydrophobicContact CG-CE2 4.21Å; F11-Y29 HydrophobicContact CZ-CE1 4.31Å; Y29-I32 HydrophobicContact CD1-CD1 3.99Å; Y29-I32 HydrophobicContact CD2-CD1 3.84Å; Y29-I32 HydrophobicContact CE1-CD1 4.43Å; Y29-I32 HydrophobicContact CE2-CD1 4.32Å; Y29-I32 HydrophobicContact CG-CB 4.47Å; Y29-I32 HydrophobicContact CG-CD1 3.67Å; Y29-V108 HydrophobicContact CD1-CG1 3.8Å; Y29-V108 HydrophobicContact CE1-CG1 4.16Å; Y29-Q109 CarbonylContact C-O 3.51Å; Y29-Q109 WeakPolarHBondContact CA-O 3.24Å; Y29-F110 AromaticContact CD1-CD1 3.88Å; Y29-F110 HydrophobicContact CD1-CD1 3.88Å; Y29-F110 AromaticContact CD1-CE1 3.8Å; Y29-F110 HydrophobicContact CD1-CE1 3.8Å; Y29-F110 AromaticContact CE1-CD1 3.97Å; Y29-F110 HydrophobicContact CE1-CD1 3.97Å; Y29-F110 AromaticContact CE1-CE1 3.54Å; Y29-F110 HydrophobicContact CE1-CE1 3.54Å; Y29-W129 HydrophobicContact CE1-CB 3.85Å; Y29-W129 AromaticContact CE1-CD1 3.86Å; Y29-W129 HydrophobicContact CE1-CG 4.25Å; Y29-W129 WeakPolarHBondContact OH-CA 3.38Å; Y29-W129 PolarHBondContact OH-N 3.31Å; Y29-Y133 HydrophobicContact CD2-CE2 4.43Å; Y29-Y133 AromaticContact CE2-CE2 3.9Å; Y29-Y133 HydrophobicContact CE2-CE2 3.9Å
30I97.4Very high94.9Very high36 Ų3656.8 Ų56.819%0.18530%0.298CS..SBendtrans-75.6-56.2176.1-62175.3000109.3R28 E86 Q109 N111R28-I30 PolarHBondContact O-N 2.95Å; I30-E86 VanDerWaalsContact CD1-CD 3.46Å; I30-E86 HydrophobicContact CD1-CG 3.61Å; I30-E86 WeakPolarHBondContact CD1-OE1 3.34Å; I30-Q109 HydrophobicContact CB-CB 4.2Å; I30-Q109 HydrophobicContact CB-CG 4.02Å; I30-Q109 HydrophobicContact CD1-CG 4.22Å; I30-Q109 PolarHBondContact N-O 2.72Å; I30-N111 HydrophobicContact CD1-CB 3.93Å; I30-N111 HydrophobicContact CG1-CB 4.03Å
31L98.2Very high95.7Very high5 Ų554.6 Ų54.63%0.02627%0.273CS..SBendtrans-109.6124.3174.5-63.3176000108.5L97 W101 I107 V108 Q109L31-L97 HydrophobicContact CD1-CB 4.16Å; L31-W101 HydrophobicContact CB-CD2 4.48Å; L31-W101 HydrophobicContact CB-CG 4.09Å; L31-W101 HydrophobicContact CD1-CB 3.95Å; L31-W101 HydrophobicContact CD1-CG 4.29Å; L31-W101 HydrophobicContact CD2-CB 4.34Å; L31-W101 HydrophobicContact CD2-CD2 4.03Å; L31-W101 HydrophobicContact CD2-CE3 4.17Å; L31-W101 HydrophobicContact CD2-CG 4.09Å; L31-W101 HydrophobicContact CG-CG 4.39Å; L31-I107 HydrophobicContact CB-CG2 4.49Å; L31-I107 HydrophobicContact CD1-CG2 4.21Å; L31-V108 WeakPolarHBondContact O-CA 3.34Å; L31-Q109 HydrophobicContact CB-CB 3.74Å; L31-Q109 HydrophobicContact CD1-CB 4.19Å; L31-Q109 HydrophobicContact CG-CB 4.04Å; L31-Q109 PolarHBondContact O-N 3.43Å
32I97.9Very high96.1Very high3 Ų351.7 Ų51.72%0.01527%0.266CS..  trans-159.4135.9178.8-175.9165.9000111.3R9 Y29 E34 W101 Y133R9-I32 HydrophobicContact CG-CG2 4.24Å; Y29-I32 HydrophobicContact CD1-CD1 3.99Å; Y29-I32 HydrophobicContact CD2-CD1 3.84Å; Y29-I32 HydrophobicContact CE1-CD1 4.43Å; Y29-I32 HydrophobicContact CE2-CD1 4.32Å; Y29-I32 HydrophobicContact CG-CB 4.47Å; Y29-I32 HydrophobicContact CG-CD1 3.67Å; I32-E34 HydrophobicContact CD1-CG 4.3Å; I32-E34 HydrophobicContact CG1-CG 4.25Å; I32-E34 HydrophobicContact CG2-CG 4.26Å; I32-W101 VanDerWaalsContact O-CZ2 3.32Å; I32-W101 WeakPolarHBondContact O-CZ2 3.48Å; I32-Y133 HydrophobicContact CD1-CD2 3.84Å; I32-Y133 HydrophobicContact CD1-CE1 4.3Å; I32-Y133 HydrophobicContact CD1-CE2 3.31Å
33N97.8Very high96.4Very high22 Ų2253.2 Ų53.212%0.11827%0.267CS..  trans-96.5101.8160.9-175.5-15.5000108.7D35 F36 E105N33-D35 PolarHBondContact O-N 3.45Å; N33-D35 WeakPolarHBondContact OD1-CA 3.13Å; N33-D35 WeakPolarHBondContact OD1-CB 3.46Å; N33-D35 PolarHBondContact OD1-N 3.05Å; N33-F36 HydrophobicContact CB-CB 4.26Å; N33-F36 HydrophobicContact CB-CD2 4.36Å; N33-F36 WeakPolarHBondContact O-CB 3.37Å; N33-F36 PolarHBondContact O-N 2.94Å; N33-F36 PolarHBondContact OD1-N 3.21Å; N33-E105 HydrophobicContact CB-CB 4.33Å; N33-E105 PolarHBondContact ND2-OE1 2.97Å
34E96.9Very high96.7Very high77 Ų7751.7 Ų51.736%0.3625%0.253SS..THydrogen-bonded Turntrans-67.6-17.7179.5-62.7177-157.900112.4R9 I32 Y133R9-E34 VanDerWaalsContact CG-OE1 3.25Å; R9-E34 WeakPolarHBondContact CG-OE1 3.4Å; R9-E34 IonicContact CZ-OE1 2.9Å; R9-E34 IonicContact NE-OE1 2.8Å; R9-E34 PolarHBondContact NE-OE1 2.98Å; R9-E34 IonicContact NH2-OE1 3.22Å; I32-E34 HydrophobicContact CD1-CG 4.3Å; I32-E34 HydrophobicContact CG1-CG 4.25Å; I32-E34 HydrophobicContact CG2-CG 4.26Å; E34-Y133 HydrophobicContact CB-CD1 4.15Å; E34-Y133 HydrophobicContact CB-CE1 3.78Å; E34-Y133 HydrophobicContact CG-CE1 3.76Å; E34-Y133 WeakPolarHBondContact O-CD1 3.26Å
35D97.4Very high96.9Very high36 Ų3649.7 Ų49.719%0.19324%0.238CC..THydrogen-bonded Turntrans-95.48.4178.9-87.4-43.6000113.2N33 C37 R38 K39 K40N33-D35 PolarHBondContact O-N 3.45Å; N33-D35 WeakPolarHBondContact OD1-CA 3.13Å; N33-D35 WeakPolarHBondContact OD1-CB 3.46Å; N33-D35 PolarHBondContact OD1-N 3.05Å; D35-C37 PolarHBondContact O-N 2.85Å; D35-R38 PolarHBondContact O-N 3.08Å; D35-R38 IonicContact OD1-CZ 2.68Å; D35-R38 IonicContact OD1-NE 3.88Å; D35-R38 PolarHBondContact OD1-NE 2.95Å; D35-R38 IonicContact OD1-NH2 2.81Å; D35-R38 PolarHBondContact OD1-NH2 3.35Å; D35-R38 IonicContact OD2-NH2 3.69Å; D35-K39 HydrophobicContact CB-CB 4.16Å; D35-K39 HydrophobicContact CB-CD 4.03Å; D35-K39 HydrophobicContact CB-CG 4.13Å; D35-K39 VanDerWaalsContact CG-CD 3.49Å; D35-K39 PolarHBondContact O-N 2.86Å; D35-K39 WeakPolarHBondContact OD1-CE 3.47Å; D35-K39 IonicContact OD1-NZ 2.8Å; D35-K39 WeakPolarHBondContact OD2-CE 3.29Å; D35-K39 IonicContact OD2-NZ 2.89Å; D35-K39 PolarHBondContact OD2-NZ 3.2Å; D35-K40 PolarHBondContact O-N 2.97Å
36F97.9Very high97.2Very high2 Ų246.7 Ų46.71%0.00922%0.217CC..Iπ-helixtrans-55.3-56.9-170.4-167.4-91.3000113.2N33 K40 Y41 I47 A79 V80 I81 E105 D106 W129N33-F36 HydrophobicContact CB-CB 4.26Å; N33-F36 HydrophobicContact CB-CD2 4.36Å; N33-F36 WeakPolarHBondContact O-CB 3.37Å; N33-F36 PolarHBondContact O-N 2.94Å; N33-F36 PolarHBondContact OD1-N 3.21Å; F36-K40 CarbonylContact O-C 3.43Å; F36-K40 VanDerWaalsContact O-CB 3.32Å; F36-K40 WeakPolarHBondContact O-CB 3.28Å; F36-K40 PolarHBondContact O-N 3.11Å; F36-Y41 AromaticContact CD1-CD2 3.76Å; F36-Y41 HydrophobicContact CD1-CD2 3.76Å; F36-Y41 HydrophobicContact CD1-CE2 4.3Å; F36-Y41 HydrophobicContact CD2-CD2 4.32Å; F36-Y41 HydrophobicContact CD2-CE2 4.21Å; F36-Y41 AromaticContact CE1-CD2 3.4Å; F36-Y41 HydrophobicContact CE1-CD2 3.4Å; F36-Y41 AromaticContact CE1-CE2 3.66Å; F36-Y41 HydrophobicContact CE1-CE2 3.66Å; F36-Y41 HydrophobicContact CE2-CD2 4.03Å; F36-Y41 AromaticContact CE2-CE2 3.57Å; F36-Y41 HydrophobicContact CE2-CE2 3.57Å; F36-Y41 HydrophobicContact CG-CD2 4.21Å; F36-Y41 AromaticContact CZ-CD2 3.55Å; F36-Y41 HydrophobicContact CZ-CD2 3.55Å; F36-Y41 AromaticContact CZ-CE2 3.25Å; F36-Y41 HydrophobicContact CZ-CE2 3.25Å; F36-Y41 PolarHBondContact O-N 3.38Å; F36-I47 HydrophobicContact CE1-CD1 3.82Å; F36-A79 HydrophobicContact CE1-CB 3.97Å; F36-A79 HydrophobicContact CZ-CB 4.27Å; F36-V80 VanDerWaalsContact CZ-O 3.31Å; F36-V80 WeakPolarHBondContact CZ-O 3.27Å; F36-I81 HydrophobicContact CD1-CG2 4.1Å; F36-I81 HydrophobicContact CD2-CG2 4.24Å; F36-I81 HydrophobicContact CE1-CG2 3.6Å; F36-I81 HydrophobicContact CE2-CG2 3.75Å; F36-I81 HydrophobicContact CG-CG2 4.4Å; F36-I81 HydrophobicContact CZ-CG2 3.4Å; F36-E105 WeakPolarHBondContact CD2-O 3.27Å; F36-E105 WeakPolarHBondContact CE2-O 3.47Å; F36-D106 HydrophobicContact CE2-CB 4.17Å; F36-W129 HydrophobicContact CB-CZ2 4.19Å; F36-W129 AromaticContact CD1-CH2 4Å; F36-W129 HydrophobicContact CD1-CH2 4Å; F36-W129 HydrophobicContact CD1-CZ2 4.21Å; F36-W129 HydrophobicContact CE1-CH2 4.47Å; F36-W129 HydrophobicContact CG-CZ2 4.27Å
37C98Very high97.4Very high8 Ų844.1 Ų44.15%0.05420%0.2CC..Iπ-helixtrans-92.4-3.7175.5-61.70000113.7D35 Y41 P42 I44 Y133 C134D35-C37 PolarHBondContact O-N 2.85Å; C37-Y41 CarbonylContact O-C 3.1Å; C37-P42 WeakPolarHBondContact O-CA 3.36Å; C37-I44 HydrophobicContact CB-CG2 4.06Å; C37-I44 VanDerWaalsContact SG-CD1 3.52Å; C37-Y133 VanDerWaalsContact CB-O 3.31Å; C37-Y133 WeakPolarHBondContact CB-O 3.48Å; C37-C134 HydrophobicContact CB-CB 3.77Å; C37-C134 WeakPolarHBondContact CB-SG 3.29Å; C37-C134 WeakPolarHBondContact SG-CB 3.41Å; C37-C134 CovalentContact SG-SG 2.03Å; C37-C134 PolarHBondContact SG-SG 3.27Å
38R96.9Very high97.6Very high168 Ų16843.5 Ų43.563%0.63420%0.196SC*.Iπ-helixtrans-88-46.1178.1-175.6171.664.1-172.9-0.9112.5D35D35-R38 PolarHBondContact O-N 3.08Å; D35-R38 IonicContact OD1-CZ 2.68Å; D35-R38 IonicContact OD1-NE 3.88Å; D35-R38 PolarHBondContact OD1-NE 2.95Å; D35-R38 IonicContact OD1-NH2 2.81Å; D35-R38 PolarHBondContact OD1-NH2 3.35Å; D35-R38 IonicContact OD2-NH2 3.69Å
39K96.8Very high97.7Very high144 Ų14438.3 Ų38.363%0.62618%0.177SC*.Iπ-helixtrans-113-43.4-177.6-63.3-177.8-174.3156.40112.7D35D35-K39 HydrophobicContact CB-CB 4.16Å; D35-K39 HydrophobicContact CB-CD 4.03Å; D35-K39 HydrophobicContact CB-CG 4.13Å; D35-K39 VanDerWaalsContact CG-CD 3.49Å; D35-K39 PolarHBondContact O-N 2.86Å; D35-K39 WeakPolarHBondContact OD1-CE 3.47Å; D35-K39 IonicContact OD1-NZ 2.8Å; D35-K39 WeakPolarHBondContact OD2-CE 3.29Å; D35-K39 IonicContact OD2-NZ 2.89Å; D35-K39 PolarHBondContact OD2-NZ 3.2Å
40K96.7Very high97.7Very high66 Ų6638.1 Ų38.129%0.28718%0.176SC..Iπ-helixtrans-76.6-40.7-174-167.1173-175.91640111.9D35 F36 Y104 E105D35-K40 PolarHBondContact O-N 2.97Å; F36-K40 CarbonylContact O-C 3.43Å; F36-K40 VanDerWaalsContact O-CB 3.32Å; F36-K40 WeakPolarHBondContact O-CB 3.28Å; F36-K40 PolarHBondContact O-N 3.11Å; K40-Y104 PolarHBondContact NZ-O 3Å; K40-E105 IonicContact NZ-OE2 3.91Å; K40-E105 PolarHBondContact NZ-OE2 3.34Å
41Y97.8Very high97.8Very high30 Ų3036.7 Ų36.712%0.11817%0.169CC..SBendtrans-133.162.6-179-56.8-66.7000112.9F36 C37 E43 I44 Y73 A79F36-Y41 AromaticContact CD1-CD2 3.76Å; F36-Y41 HydrophobicContact CD1-CD2 3.76Å; F36-Y41 HydrophobicContact CD1-CE2 4.3Å; F36-Y41 HydrophobicContact CD2-CD2 4.32Å; F36-Y41 HydrophobicContact CD2-CE2 4.21Å; F36-Y41 AromaticContact CE1-CD2 3.4Å; F36-Y41 HydrophobicContact CE1-CD2 3.4Å; F36-Y41 AromaticContact CE1-CE2 3.66Å; F36-Y41 HydrophobicContact CE1-CE2 3.66Å; F36-Y41 HydrophobicContact CE2-CD2 4.03Å; F36-Y41 AromaticContact CE2-CE2 3.57Å; F36-Y41 HydrophobicContact CE2-CE2 3.57Å; F36-Y41 HydrophobicContact CG-CD2 4.21Å; F36-Y41 AromaticContact CZ-CD2 3.55Å; F36-Y41 HydrophobicContact CZ-CD2 3.55Å; F36-Y41 AromaticContact CZ-CE2 3.25Å; F36-Y41 HydrophobicContact CZ-CE2 3.25Å; F36-Y41 PolarHBondContact O-N 3.38Å; C37-Y41 CarbonylContact O-C 3.1Å; Y41-E43 VanDerWaalsContact C-N 3.29Å; Y41-E43 PolarHBondContact O-N 3.15Å; Y41-I44 WeakPolarHBondContact O-CB 3.13Å; Y41-I44 PolarHBondContact O-N 3.27Å; Y41-Y73 VanDerWaalsContact C-OH 3.23Å; Y41-Y73 WeakPolarHBondContact CA-OH 3.19Å; Y41-Y73 AromaticContact CD1-CD1 3.69Å; Y41-Y73 HydrophobicContact CD1-CD1 3.69Å; Y41-Y73 AromaticContact CD1-CD2 3.36Å; Y41-Y73 HydrophobicContact CD1-CD2 3.36Å; Y41-Y73 AromaticContact CD1-CE1 3.86Å; Y41-Y73 HydrophobicContact CD1-CE1 3.86Å; Y41-Y73 AromaticContact CD1-CE2 3.56Å; Y41-Y73 HydrophobicContact CD1-CE2 3.56Å; Y41-Y73 AromaticContact CD1-CG 3.43Å; Y41-Y73 HydrophobicContact CD1-CG 3.43Å; Y41-Y73 VanDerWaalsContact CD1-CG 3.43Å; Y41-Y73 AromaticContact CD1-CZ 3.8Å; Y41-Y73 HydrophobicContact CE1-CD1 4.08Å; Y41-Y73 HydrophobicContact CE1-CD2 4.06Å; Y41-Y73 AromaticContact CE1-CG 3.76Å; Y41-Y73 HydrophobicContact CE1-CG 3.76Å; Y41-Y73 HydrophobicContact CG-CD2 4.15Å; Y41-Y73 HydrophobicContact CG-CE2 4.05Å; Y41-A79 HydrophobicContact CD1-CB 3.98Å; Y41-A79 HydrophobicContact CD2-CB 3.71Å; Y41-A79 HydrophobicContact CE1-CB 4.15Å; Y41-A79 HydrophobicContact CE2-CB 3.9Å; Y41-A79 HydrophobicContact CG-CB 3.73Å
42P97.2Very high97.8Very high69 Ų6936.7 Ų36.745%0.44817%0.169SC..THydrogen-bonded Turntrans-64.7-25.7-172.425.9-35.8000115.2C37 Y73C37-P42 WeakPolarHBondContact O-CA 3.36Å; P42-Y73 WeakPolarHBondContact CD-OH 3.33Å
43E97.1Very high97.8Very high120 Ų12037.3 Ų37.356%0.56118%0.176SC*.THydrogen-bonded Turntrans-105.124.2-176.5-60.3176.294.500111.9Y41 F45 Y73 K77Y41-E43 VanDerWaalsContact C-N 3.29Å; Y41-E43 PolarHBondContact O-N 3.15Å; E43-F45 PolarHBondContact O-N 3.01Å; E43-Y73 PolarHBondContact N-OH 2.85Å; E43-K77 HydrophobicContact CB-CD 3.96Å; E43-K77 VanDerWaalsContact O-CB 3.26Å; E43-K77 WeakPolarHBondContact O-CB 3.43Å; E43-K77 WeakPolarHBondContact O-CG 3.19Å; E43-K77 IonicContact OE1-NZ 2.72Å; E43-K77 IonicContact OE2-NZ 3.56Å; E43-K77 PolarHBondContact OE2-NZ 3.33Å
44I97.8Very high97.8Very high7 Ų736.8 Ų36.84%0.03617%0.174CC..  trans-54.6128.7-174.3-167.4164.8000112C37 Y41 V46 I47 A79 A137C37-I44 HydrophobicContact CB-CG2 4.06Å; C37-I44 VanDerWaalsContact SG-CD1 3.52Å; Y41-I44 WeakPolarHBondContact O-CB 3.13Å; Y41-I44 PolarHBondContact O-N 3.27Å; I44-V46 WeakPolarHBondContact CG1-O 3.32Å; I44-I47 HydrophobicContact CD1-CB 3.69Å; I44-I47 HydrophobicContact CD1-CD1 3.83Å; I44-I47 HydrophobicContact CD1-CG1 4.24Å; I44-A79 HydrophobicContact CD1-CB 3.84Å; I44-A137 HydrophobicContact CG1-CB 4.33Å; I44-A137 HydrophobicContact CG2-CB 3.88Å
45F97.3Very high97.9Very high7 Ų740.1 Ų40.13%0.03118%0.183CC..SBendtrans-100.1-44.2174.6178.5-127.1000110.8E43 K77 K138 Y139 M155 F158 R159 E162E43-F45 PolarHBondContact O-N 3.01Å; F45-K77 HydrophobicContact CB-CB 3.7Å; F45-K77 PolarHBondContact N-O 3.2Å; F45-K138 HydrophobicContact CD2-CB 3.72Å; F45-K138 HydrophobicContact CD2-CG 3.58Å; F45-K138 HydrophobicContact CE2-CB 3.65Å; F45-K138 HydrophobicContact CE2-CG 3.71Å; F45-K138 PolarHBondContact O-N 3.04Å; F45-Y139 HydrophobicContact CE1-CD2 4.49Å; F45-Y139 AromaticContact CE2-CD2 3.96Å; F45-Y139 HydrophobicContact CE2-CD2 3.96Å; F45-Y139 AromaticContact CE2-CE2 3.84Å; F45-Y139 HydrophobicContact CE2-CE2 3.84Å; F45-Y139 AromaticContact CZ-CD2 3.86Å; F45-Y139 HydrophobicContact CZ-CD2 3.86Å; F45-Y139 AromaticContact CZ-CE2 3.67Å; F45-Y139 HydrophobicContact CZ-CE2 3.67Å; F45-Y139 PolarHBondContact O-N 3.3Å; F45-M155 HydrophobicContact CD1-CE 3.47Å; F45-M155 VanDerWaalsContact CD1-CE 3.47Å; F45-M155 HydrophobicContact CE1-CE 3.86Å; F45-F158 HydrophobicContact CE1-CB 3.75Å; F45-F158 HydrophobicContact CZ-CB 3.92Å; F45-R159 HydrophobicContact CE1-CG 4.08Å; F45-R159 HydrophobicContact CZ-CG 4.49Å; F45-E162 HydrophobicContact CE2-CB 4.4Å; F45-E162 HydrophobicContact CE2-CG 4.37Å; F45-E162 WeakPolarHBondContact CE2-OE1 3.41Å; F45-E162 WeakPolarHBondContact CE2-OE2 3.16Å; F45-E162 HydrophobicContact CZ-CB 4.29Å; F45-E162 VanDerWaalsContact CZ-OE2 3.29Å; F45-E162 WeakPolarHBondContact CZ-OE2 3.36Å
46V98.2Very high97.9Very high0 Ų040.8 Ų40.80%019%0.187CC..EExtended strand (participates in β ladder)trans-128.8129.2178.2-176.60000109.4I44 K77 L78 A79 Y139 L141 M155 F158I44-V46 WeakPolarHBondContact CG1-O 3.32Å; V46-K77 PolarHBondContact N-O 2.68Å; V46-L78 HydrophobicContact CB-CD1 3.84Å; V46-L78 HydrophobicContact CG1-CD1 3.75Å; V46-L78 WeakPolarHBondContact O-CA 3.21Å; V46-A79 PolarHBondContact O-N 2.03Å; V46-A79 VanDerWaalsContact O-N 3.13Å; V46-Y139 WeakPolarHBondContact CA-O 3.38Å; V46-L141 HydrophobicContact CG1-CB 4.01Å; V46-M155 HydrophobicContact CB-CE 4.2Å; V46-M155 HydrophobicContact CB-SD 4.23Å; V46-M155 HydrophobicContact CG2-CE 3.44Å; V46-M155 VanDerWaalsContact CG2-CE 3.44Å; V46-M155 HydrophobicContact CG2-SD 3.81Å; V46-F158 HydrophobicContact CG1-CD2 4.37Å; V46-F158 HydrophobicContact CG1-CE2 3.85Å; V46-F158 HydrophobicContact CG2-CD2 3.54Å; V46-F158 HydrophobicContact CG2-CE2 3.89Å; V46-F158 HydrophobicContact CG2-CG 4.31Å
47I98.6Very high97.9Very high0 Ų043.4 Ų43.40%020%0.198CC..EExtended strand (participates in β ladder)trans-102.8112.7166.4-176.260.1000109.4F36 I44 I49 A79 I81 W129 A137 Y139 I140 L141 M214F36-I47 HydrophobicContact CE1-CD1 3.82Å; I44-I47 HydrophobicContact CD1-CB 3.69Å; I44-I47 HydrophobicContact CD1-CD1 3.83Å; I44-I47 HydrophobicContact CD1-CG1 4.24Å; I47-I49 HydrophobicContact CG1-CG1 4.17Å; I47-A79 HydrophobicContact CD1-CB 4.37Å; I47-I81 HydrophobicContact CD1-CG1 4.41Å; I47-I81 HydrophobicContact CD1-CG2 4.25Å; I47-W129 HydrophobicContact CD1-CH2 4.2Å; I47-W129 HydrophobicContact CD1-CZ3 4.34Å; I47-W129 HydrophobicContact CG1-CH2 4.28Å; I47-W129 HydrophobicContact CG1-CZ3 3.93Å; I47-A137 HydrophobicContact CB-CB 4.44Å; I47-A137 HydrophobicContact CG2-CB 4.02Å; I47-Y139 PolarHBondContact N-O 3.2Å; I47-I140 HydrophobicContact CG2-CB 4.21Å; I47-I140 HydrophobicContact CG2-CG1 3.67Å; I47-I140 HydrophobicContact CG2-CG2 4.35Å; I47-I140 WeakPolarHBondContact O-CA 3.38Å; I47-L141 PolarHBondContact O-N 3.27Å; I47-M214 HydrophobicContact CG2-CE 4.46Å
48A98.8Very high97.8Very high0 Ų050.9 Ų50.90%023%0.23CC..EExtended strand (participates in β ladder)trans-79.6129.8169.500000109.5W67 L78 A79 V80 I81 L141A48-W67 HydrophobicContact CB-CH2 4.33Å; A48-W67 HydrophobicContact CB-CZ3 4Å; A48-L78 HydrophobicContact CB-CD1 4.11Å; A48-A79 PolarHBondContact N-O 3.05Å; A48-V80 HydrophobicContact CB-CB 4.14Å; A48-V80 HydrophobicContact CB-CG2 4.05Å; A48-V80 CarbonylContact O-C 3.5Å; A48-V80 WeakPolarHBondContact O-CA 3.35Å; A48-I81 PolarHBondContact O-N 3.12Å; A48-L141 CarbonylContact C-O 3.46Å; A48-L141 VanDerWaalsContact CA-O 3.27Å; A48-L141 WeakPolarHBondContact CA-O 3.32Å; A48-L141 HydrophobicContact CB-CB 4.49Å
49I98.8Very high97.8Very high0 Ų046 Ų460%021%0.211CC..EExtended strand (participates in β ladder)trans-118.2107.1178.5-63.9-177.4000107.2I47 I81 A83 W126 A130 I140 L141 K142 V143I47-I49 HydrophobicContact CG1-CG1 4.17Å; I49-I81 HydrophobicContact CB-CD1 4.09Å; I49-I81 HydrophobicContact CG1-CD1 3.87Å; I49-I81 HydrophobicContact CG1-CG1 3.99Å; I49-I81 HydrophobicContact CG2-CD1 3.74Å; I49-A83 HydrophobicContact CG2-CB 4.24Å; I49-W126 HydrophobicContact CD1-CB 4.31Å; I49-W126 HydrophobicContact CD1-CD2 3.74Å; I49-W126 HydrophobicContact CD1-CE3 3.18Å; I49-W126 HydrophobicContact CD1-CG 4.21Å; I49-W126 HydrophobicContact CD1-CZ3 3.82Å; I49-W126 HydrophobicContact CG1-CE3 4.46Å; I49-W126 HydrophobicContact CG2-CB 4.01Å; I49-W126 HydrophobicContact CG2-CD2 3.86Å; I49-W126 HydrophobicContact CG2-CE3 4.4Å; I49-W126 HydrophobicContact CG2-CG 3.66Å; I49-A130 HydrophobicContact CD1-CB 4.34Å; I49-I140 HydrophobicContact CB-CG2 4.49Å; I49-I140 HydrophobicContact CD1-CG2 3.63Å; I49-I140 HydrophobicContact CG1-CG2 4.02Å; I49-L141 PolarHBondContact N-O 3.25Å; I49-K142 WeakPolarHBondContact O-CA 3.32Å; I49-V143 PolarHBondContact O-N 3.39Å
50V98.8Very high97.9Very high0 Ų039.1 Ų39.10%018%0.182CC..EExtended strand (participates in β ladder)trans-93.7116.7-178.4179.30000109.8T52 I63 W67 V80 I81 F82 A83 V143 D145V50-T52 PolarHBondContact O-N 3.03Å; V50-I63 HydrophobicContact CG1-CD1 3.88Å; V50-I63 HydrophobicContact CG2-CG2 4.42Å; V50-W67 HydrophobicContact CG2-CH2 3.6Å; V50-W67 HydrophobicContact CG2-CZ2 3.86Å; V50-V80 HydrophobicContact CG2-CG2 3.75Å; V50-I81 PolarHBondContact N-O 2.85Å; V50-F82 HydrophobicContact CB-CD1 3.59Å; V50-F82 HydrophobicContact CB-CE1 3.88Å; V50-F82 HydrophobicContact CG1-CD1 3.74Å; V50-F82 HydrophobicContact CG1-CE1 3.92Å; V50-F82 HydrophobicContact CG2-CD1 4.22Å; V50-F82 HydrophobicContact CG2-CE1 4.04Å; V50-A83 PolarHBondContact O-N 2.98Å; V50-V143 CarbonylContact C-O 3.59Å; V50-V143 WeakPolarHBondContact CA-O 3Å; V50-D145 HydrophobicContact CG1-CB 3.8Å
51H98.6Very high98Very high7 Ų737.7 Ų37.73%0.03218%0.18CC..EExtended strand (participates in β ladder)trans-73.4118.5166.4-89.9-143.9000109W126 V143 D145 D233H51-W126 AromaticContact CD2-CD1 3.87Å; H51-W126 AromaticContact CD2-NE1 3.83Å; H51-W126 AromaticContact CE1-NE1 3.98Å; H51-W126 AromaticContact NE2-CD1 3.13Å; H51-W126 AromaticContact NE2-NE1 3.01Å; H51-W126 PolarHBondContact NE2-NE1 2.82Å; H51-V143 PolarHBondContact N-O 3.18Å; H51-D145 WeakPolarHBondContact O-CB 3.39Å; H51-D145 PolarHBondContact O-N 2.8Å; H51-D233 IonicContact CE1-OD2 2.76Å
52T98.5Very high98Very high4 Ų437.2 Ų37.23%0.02518%0.179CC..  trans-142.8155.1-179-172.50000110.1V50 N56 R60 F82 A83 V84 K122 D145V50-T52 PolarHBondContact O-N 3.03Å; T52-N56 WeakPolarHBondContact OG1-CB 3.37Å; T52-R60 HydrophobicContact CG2-CG 3.95Å; T52-F82 HydrophobicContact CG2-CB 3.86Å; T52-F82 HydrophobicContact CG2-CD1 4.06Å; T52-F82 HydrophobicContact CG2-CG 4.39Å; T52-A83 PolarHBondContact N-O 3.16Å; T52-V84 HydrophobicContact CG2-CG1 3.41Å; T52-V84 VanDerWaalsContact CG2-CG1 3.41Å; T52-K122 PolarHBondContact O-NZ 3.07Å; T52-D145 VanDerWaalsContact CA-OD2 3.32Å; T52-D145 WeakPolarHBondContact CA-OD2 3.48Å; T52-D145 WeakPolarHBondContact CB-OD2 3.42Å; T52-D145 PolarHBondContact OG1-OD2 3.35Å
53G97.9Very high98Very high17 Ų1734 Ų3418%0.17516%0.158CC..  trans-82.7152.1172.400000111.4R55 N56 R60G53-R55 PolarHBondContact O-N 2.77Å; G53-R55 VanDerWaalsContact O-N 3.14Å; G53-N56 WeakPolarHBondContact O-CB 3.1Å; G53-N56 PolarHBondContact O-N 2.92Å; G53-R60 PolarHBondContact O-NH1 3.28Å
54P98.2Very high98.1Very high10 Ų1029.5 Ų29.57%0.06514%0.136CC..THydrogen-bonded Turntrans-57.3-35.1-177.622.1-33.9000112.4N56 F57 R60 D87 V93 L97 D114P54-N56 PolarHBondContact O-N 2.86Å; P54-F57 WeakPolarHBondContact O-CZ 3.47Å; P54-R60 PolarHBondContact O-NH1 3.29Å; P54-R60 PolarHBondContact O-NH2 3.44Å; P54-D87 HydrophobicContact CB-CB 4.17Å; P54-D87 HydrophobicContact CG-CB 3.63Å; P54-V93 HydrophobicContact CB-CG1 3.83Å; P54-L97 HydrophobicContact CB-CD1 3.74Å; P54-D114 WeakPolarHBondContact CD-OD2 3.25Å; P54-D114 HydrophobicContact CG-CB 4.15Å
55R97.9Very high98Very high148 Ų14835.7 Ų35.756%0.55816%0.163SC*.THydrogen-bonded Turntrans-78.2-9177.7-58.3-176.5-60.1-1782.8115.5G53 F57 D87 H90 V93G53-R55 PolarHBondContact O-N 2.77Å; G53-R55 VanDerWaalsContact O-N 3.14Å; R55-F57 WeakPolarHBondContact O-CD2 3.33Å; R55-F57 PolarHBondContact O-N 3.27Å; R55-D87 WeakPolarHBondContact CD-OD2 2.97Å; R55-D87 VanDerWaalsContact CG-OD2 3.24Å; R55-D87 WeakPolarHBondContact CG-OD2 3Å; R55-D87 IonicContact NE-OD2 3.67Å; R55-H90 PolarHBondContact NH1-CE1 3.05Å; R55-V93 HydrophobicContact CG-CG1 4.24Å; R55-V93 HydrophobicContact CG-CG2 3.87Å
56N97.5Very high98Very high50 Ų5035.7 Ų35.727%0.26716%0.163SC..  trans-82.539.9-171.5-71.5-10.8000114.2T52 G53 P54 K58 R59 R60 D145T52-N56 WeakPolarHBondContact OG1-CB 3.37Å; G53-N56 WeakPolarHBondContact O-CB 3.1Å; G53-N56 PolarHBondContact O-N 2.92Å; P54-N56 PolarHBondContact O-N 2.86Å; N56-K58 VanDerWaalsContact C-N 3.28Å; N56-K58 PolarHBondContact O-N 2.88Å; N56-R59 HydrophobicContact CB-CB 4.2Å; N56-R59 HydrophobicContact CB-CG 4.29Å; N56-R59 WeakPolarHBondContact O-CB 3.47Å; N56-R59 PolarHBondContact O-N 3.4Å; N56-R60 PolarHBondContact O-N 3.19Å; N56-R60 VanDerWaalsContact O-N 3.13Å; N56-D145 WeakPolarHBondContact CB-OD2 3.44Å; N56-D145 PolarHBondContact ND2-OD2 3.1Å
57F97.6Very high97.9Very high56 Ų5635.9 Ų35.925%0.24616%0.164CC..Hα-helixtrans-50.6-43.7-178.4-59.1-80.2000113.3P54 R55 R59 R60 S61 V93 T96 L97 E100P54-F57 WeakPolarHBondContact O-CZ 3.47Å; R55-F57 WeakPolarHBondContact O-CD2 3.33Å; R55-F57 PolarHBondContact O-N 3.27Å; F57-R59 VanDerWaalsContact C-N 3.35Å; F57-R59 PolarHBondContact O-N 2.8Å; F57-R60 PolarHBondContact O-N 3.48Å; F57-S61 WeakPolarHBondContact O-CB 3.28Å; F57-S61 PolarHBondContact O-N 2.96Å; F57-V93 HydrophobicContact CE2-CG1 4.26Å; F57-V93 HydrophobicContact CZ-CG1 3.94Å; F57-T96 HydrophobicContact CD1-CG2 4Å; F57-T96 HydrophobicContact CE1-CG2 3.45Å; F57-T96 VanDerWaalsContact CE1-CG2 3.45Å; F57-T96 HydrophobicContact CE2-CG2 4.18Å; F57-T96 HydrophobicContact CZ-CG2 3.56Å; F57-L97 HydrophobicContact CE1-CD2 3.98Å; F57-L97 HydrophobicContact CE1-CG 4.11Å; F57-L97 HydrophobicContact CZ-CD2 4.42Å; F57-L97 HydrophobicContact CZ-CG 4.22Å; F57-E100 WeakPolarHBondContact CD1-OE2 3.46Å; F57-E100 WeakPolarHBondContact CE1-OE2 3.47Å
58K97.2Very high97.8Very high165 Ų16536 Ų3672%0.71717%0.165SC*.Hα-helixtrans-66.2-35.1179.9-65.2-176.4-178.51780112.4N56 L62 L279N56-K58 VanDerWaalsContact C-N 3.28Å; N56-K58 PolarHBondContact O-N 2.88Å; K58-L62 WeakPolarHBondContact O-CB 3.16Å; K58-L62 PolarHBondContact O-N 3.45Å; K58-L279 HydrophobicContact CB-CD1 3.9Å
59R97.4Very high97.6Very high66 Ų6638.5 Ų38.525%0.24918%0.178CC..Hα-helixtrans-67.5-47.9176.5-65.2-174.4173.5-173.5-2.8110.1N56 F57 S61 L62 I63 D145 L279N56-R59 HydrophobicContact CB-CB 4.2Å; N56-R59 HydrophobicContact CB-CG 4.29Å; N56-R59 WeakPolarHBondContact O-CB 3.47Å; N56-R59 PolarHBondContact O-N 3.4Å; F57-R59 VanDerWaalsContact C-N 3.35Å; F57-R59 PolarHBondContact O-N 2.8Å; R59-S61 PolarHBondContact O-N 3.37Å; R59-L62 PolarHBondContact O-N 2.89Å; R59-I63 WeakPolarHBondContact O-CG1 3.37Å; R59-I63 PolarHBondContact O-N 2.8Å; R59-D145 HydrophobicContact CB-CB 4.18Å; R59-D145 WeakPolarHBondContact CD-OD1 3.31Å; R59-D145 WeakPolarHBondContact CD-OD2 3.07Å; R59-D145 IonicContact CZ-OD1 3.81Å; R59-D145 IonicContact NE-OD1 3.01Å; R59-D145 IonicContact NH1-OD1 3.21Å; R59-D145 PolarHBondContact NH1-OD1 2.86Å; R59-L279 HydrophobicContact CG-CD2 4.04Å
60R98.2Very high97.5Very high0 Ų047.1 Ų47.10%021%0.211CC..Hα-helixtrans-58.5-46.4175.2-62.8-166.9-73.8-83.18.9112.4T52 G53 P54 N56 F57 L62 I63 R64 F82 L97 E100T52-R60 HydrophobicContact CG2-CG 3.95Å; G53-R60 PolarHBondContact O-NH1 3.28Å; P54-R60 PolarHBondContact O-NH1 3.29Å; P54-R60 PolarHBondContact O-NH2 3.44Å; N56-R60 PolarHBondContact O-N 3.19Å; N56-R60 VanDerWaalsContact O-N 3.13Å; F57-R60 PolarHBondContact O-N 3.48Å; R60-L62 VanDerWaalsContact C-N 3.33Å; R60-L62 PolarHBondContact O-N 3.2Å; R60-I63 PolarHBondContact O-N 2.81Å; R60-R64 WeakPolarHBondContact O-CG 3.11Å; R60-R64 PolarHBondContact O-N 3.07Å; R60-F82 HydrophobicContact CB-CD1 4.08Å; R60-F82 HydrophobicContact CB-CD2 4.46Å; R60-F82 HydrophobicContact CB-CE1 3.82Å; R60-F82 HydrophobicContact CB-CE2 4.24Å; R60-F82 HydrophobicContact CB-CG 4.39Å; R60-F82 HydrophobicContact CB-CZ 3.9Å; R60-F82 HydrophobicContact CG-CB 4.47Å; R60-F82 HydrophobicContact CG-CD1 3.48Å; R60-F82 VanDerWaalsContact CG-CD1 3.48Å; R60-F82 HydrophobicContact CG-CD2 4.37Å; R60-F82 HydrophobicContact CG-CE1 3.7Å; R60-F82 HydrophobicContact CG-CG 3.84Å; R60-F82 HydrophobicContact CG-CZ 4.24Å; R60-L97 VanDerWaalsContact NH2-CD2 3.29Å; R60-E100 IonicContact CZ-OE1 3.85Å; R60-E100 IonicContact CZ-OE2 2.78Å; R60-E100 VanDerWaalsContact CZ-OE2 3.28Å; R60-E100 VanDerWaalsContact NE-CD 3.33Å; R60-E100 IonicContact NE-OE1 2.72Å; R60-E100 PolarHBondContact NE-OE1 3.28Å; R60-E100 IonicContact NE-OE2 2.64Å; R60-E100 PolarHBondContact NE-OE2 3.27Å; R60-E100 IonicContact NH2-OE2 3.66Å; R60-E100 PolarHBondContact NH2-OE2 2.81Å
61S98Very high97.3Very high35 Ų3551 Ų5125%0.24523%0.229CC..Hα-helixtrans-58.8-42.7176.4-170.90000112.5F57 R59 K65F57-S61 WeakPolarHBondContact O-CB 3.28Å; F57-S61 PolarHBondContact O-N 2.96Å; R59-S61 PolarHBondContact O-N 3.37Å; S61-K65 WeakPolarHBondContact O-CG 3.46Å; S61-K65 PolarHBondContact O-N 3.3Å
62L97.7Very high97.1Very high20 Ų2051.2 Ų51.211%0.10523%0.23CC..Hα-helixtrans-63.8-44.5175.9179.464000111.6K58 R59 R60 R64 K65 T66 L279 R282 Y283K58-L62 WeakPolarHBondContact O-CB 3.16Å; K58-L62 PolarHBondContact O-N 3.45Å; R59-L62 PolarHBondContact O-N 2.89Å; R60-L62 VanDerWaalsContact C-N 3.33Å; R60-L62 PolarHBondContact O-N 3.2Å; L62-R64 PolarHBondContact O-N 3.21Å; L62-K65 CarbonylContact O-C 3.44Å; L62-K65 PolarHBondContact O-N 3.23Å; L62-K65 VanDerWaalsContact O-N 3.08Å; L62-T66 HydrophobicContact CD1-CG2 3.66Å; L62-T66 HydrophobicContact CG-CG2 4.19Å; L62-T66 WeakPolarHBondContact O-CB 3.36Å; L62-T66 VanDerWaalsContact O-CG2 3.3Å; L62-T66 WeakPolarHBondContact O-CG2 3.37Å; L62-T66 PolarHBondContact O-N 3.36Å; L62-T66 PolarHBondContact O-OG1 3.49Å; L62-L279 HydrophobicContact CB-CD2 4.18Å; L62-L279 HydrophobicContact CD2-CB 3.99Å; L62-L279 HydrophobicContact CD2-CD2 3.45Å; L62-L279 VanDerWaalsContact CD2-CD2 3.45Å; L62-L279 HydrophobicContact CD2-CG 4.33Å; L62-L279 WeakPolarHBondContact CD2-O 3.38Å; L62-L279 HydrophobicContact CG-CD2 4.45Å; L62-R282 HydrophobicContact CD2-CB 3.96Å; L62-Y283 HydrophobicContact CD1-CD2 3.75Å; L62-Y283 HydrophobicContact CD1-CG 4.15Å
63I98.2Very high97Very high1 Ų152.4 Ų52.41%0.00523%0.234CC..Hα-helixtrans-59.2-46.5179.2-71168.9000110.9V50 R59 R60 K65 T66 W67 A68 F82 D145V50-I63 HydrophobicContact CG1-CD1 3.88Å; V50-I63 HydrophobicContact CG2-CG2 4.42Å; R59-I63 WeakPolarHBondContact O-CG1 3.37Å; R59-I63 PolarHBondContact O-N 2.8Å; R60-I63 PolarHBondContact O-N 2.81Å; I63-K65 PolarHBondContact O-N 3.06Å; I63-T66 CarbonylContact O-C 3.54Å; I63-T66 PolarHBondContact O-N 3.06Å; I63-T66 PolarHBondContact O-OG1 2.97Å; I63-W67 HydrophobicContact CB-CZ2 4.48Å; I63-W67 HydrophobicContact CD1-CZ2 4.24Å; I63-W67 HydrophobicContact CG1-CZ2 4.19Å; I63-W67 HydrophobicContact CG2-CD2 4.35Å; I63-W67 HydrophobicContact CG2-CH2 4.13Å; I63-W67 HydrophobicContact CG2-CZ2 3.54Å; I63-A68 HydrophobicContact CG2-CB 3.48Å; I63-A68 VanDerWaalsContact CG2-CB 3.48Å; I63-A68 PolarHBondContact O-N 3.18Å; I63-F82 HydrophobicContact CB-CE1 4.11Å; I63-F82 HydrophobicContact CB-CZ 4.09Å; I63-F82 HydrophobicContact CD1-CE1 4.09Å; I63-F82 HydrophobicContact CG2-CE1 3.9Å; I63-F82 HydrophobicContact CG2-CZ 3.81Å; I63-D145 HydrophobicContact CD1-CB 4.09Å
64R98.1Very high96.9Very high26 Ų2658.8 Ų58.810%0.09826%0.257CS..Hα-helixtrans-60.3-30174.6-67.7-175.7-169.3101.22.1113.6R60 L62 N69 F82 E100 D106R60-R64 WeakPolarHBondContact O-CG 3.11Å; R60-R64 PolarHBondContact O-N 3.07Å; L62-R64 PolarHBondContact O-N 3.21Å; R64-N69 VanDerWaalsContact O-CA 3.28Å; R64-N69 WeakPolarHBondContact O-CA 3.34Å; R64-F82 HydrophobicContact CG-CE2 3.91Å; R64-F82 HydrophobicContact CG-CZ 4.03Å; R64-E100 IonicContact CZ-OE1 2.71Å; R64-E100 IonicContact NH1-OE1 2.83Å; R64-E100 PolarHBondContact NH1-OE1 2.81Å; R64-E100 IonicContact NH2-OE1 3.9Å; R64-E100 PolarHBondContact NH2-OE1 2.82Å; R64-D106 IonicContact CZ-OD1 3.86Å; R64-D106 IonicContact CZ-OD2 3.36Å; R64-D106 IonicContact NE-OD1 3.78Å; R64-D106 PolarHBondContact NE-OD1 3Å; R64-D106 IonicContact NE-OD2 2.7Å; R64-D106 PolarHBondContact NE-OD2 3.11Å; R64-D106 IonicContact NH2-OD1 2.88Å; R64-D106 PolarHBondContact NH2-OD1 3.06Å; R64-D106 IonicContact NH2-OD2 3.4Å
65K97.1Very high96.6Very high138 Ų13862.9 Ų62.960%0.627%0.274SS*.Hα-helixtrans-85.8-10178-70.9174.4-178.3178.20113.3S61 L62 I63S61-K65 WeakPolarHBondContact O-CG 3.46Å; S61-K65 PolarHBondContact O-N 3.3Å; L62-K65 CarbonylContact O-C 3.44Å; L62-K65 PolarHBondContact O-N 3.23Å; L62-K65 VanDerWaalsContact O-N 3.08Å; I63-K65 PolarHBondContact O-N 3.06Å
66T96.5Very high96.5Very high6 Ų656.9 Ų56.94%0.03725%0.252CS..THydrogen-bonded Turntrans-122.3-115.7-171.457.70000111.3L62 I63 A68 N69 Y283 W286L62-T66 HydrophobicContact CD1-CG2 3.66Å; L62-T66 HydrophobicContact CG-CG2 4.19Å; L62-T66 WeakPolarHBondContact O-CB 3.36Å; L62-T66 VanDerWaalsContact O-CG2 3.3Å; L62-T66 WeakPolarHBondContact O-CG2 3.37Å; L62-T66 PolarHBondContact O-N 3.36Å; L62-T66 PolarHBondContact O-OG1 3.49Å; I63-T66 CarbonylContact O-C 3.54Å; I63-T66 PolarHBondContact O-N 3.06Å; I63-T66 PolarHBondContact O-OG1 2.97Å; T66-A68 VanDerWaalsContact C-N 3.27Å; T66-A68 PolarHBondContact O-N 3.33Å; T66-N69 WeakPolarHBondContact O-CB 3.43Å; T66-N69 PolarHBondContact O-N 2.7Å; T66-Y283 HydrophobicContact CG2-CD2 3.79Å; T66-Y283 HydrophobicContact CG2-CE2 4.31Å; T66-W286 VanDerWaalsContact C-CE2 3.45Å; T66-W286 HydrophobicContact CG2-CB 3.93Å; T66-W286 HydrophobicContact CG2-CD2 4.46Å; T66-W286 HydrophobicContact CG2-CG 3.67Å; T66-W286 VanDerWaalsContact O-CZ2 3.24Å; T66-W286 WeakPolarHBondContact O-CZ2 3.41Å
67W95.6Very high96.5Very high4 Ų456.8 Ų56.82%0.01525%0.249CC..THydrogen-bonded Turntrans-70.3-23-168.365.3-101.8000113.1A48 V50 I63 F72 V143 V149 T151 W286A48-W67 HydrophobicContact CB-CH2 4.33Å; A48-W67 HydrophobicContact CB-CZ3 4Å; V50-W67 HydrophobicContact CG2-CH2 3.6Å; V50-W67 HydrophobicContact CG2-CZ2 3.86Å; I63-W67 HydrophobicContact CB-CZ2 4.48Å; I63-W67 HydrophobicContact CD1-CZ2 4.24Å; I63-W67 HydrophobicContact CG1-CZ2 4.19Å; I63-W67 HydrophobicContact CG2-CD2 4.35Å; I63-W67 HydrophobicContact CG2-CH2 4.13Å; I63-W67 HydrophobicContact CG2-CZ2 3.54Å; W67-F72 VanDerWaalsContact O-CD2 3.3Å; W67-F72 WeakPolarHBondContact O-CD2 3.42Å; W67-F72 WeakPolarHBondContact O-CE2 3.27Å; W67-V143 HydrophobicContact CH2-CB 4.11Å; W67-V143 HydrophobicContact CH2-CG1 4.32Å; W67-V143 HydrophobicContact CH2-CG2 3.93Å; W67-V143 HydrophobicContact CZ2-CB 4.3Å; W67-V143 HydrophobicContact CZ2-CG1 4.08Å; W67-V143 HydrophobicContact CZ2-CG2 4.49Å; W67-V143 HydrophobicContact CZ3-CG2 4.47Å; W67-V149 HydrophobicContact CB-CB 4.11Å; W67-V149 WeakPolarHBondContact CB-O 3.27Å; W67-V149 HydrophobicContact CD2-CB 3.72Å; W67-V149 HydrophobicContact CD2-CG2 3.85Å; W67-V149 HydrophobicContact CE3-CB 3.9Å; W67-V149 HydrophobicContact CE3-CG1 4.32Å; W67-V149 HydrophobicContact CE3-CG2 4.05Å; W67-V149 HydrophobicContact CG-CB 3.83Å; W67-V149 HydrophobicContact CG-CG2 4.32Å; W67-V149 HydrophobicContact CH2-CG2 4.36Å; W67-V149 HydrophobicContact CZ2-CG2 4.15Å; W67-V149 HydrophobicContact CZ3-CG2 4.3Å; W67-T151 WeakPolarHBondContact CA-OG1 3.29Å; W67-T151 WeakPolarHBondContact CB-OG1 3.36Å; W67-T151 PolarHBondContact O-OG1 3.46Å; W67-W286 HydrophobicContact CB-CE3 4Å; W67-W286 HydrophobicContact CB-CH2 4.28Å; W67-W286 HydrophobicContact CB-CZ3 3.75Å
68A97.2Very high96.5Very high4 Ų454.4 Ų54.43%0.03324%0.239CC..THydrogen-bonded Turntrans-107.535.1176.900000112.3I63 T66 R70 V80I63-A68 HydrophobicContact CG2-CB 3.48Å; I63-A68 VanDerWaalsContact CG2-CB 3.48Å; I63-A68 PolarHBondContact O-N 3.18Å; T66-A68 VanDerWaalsContact C-N 3.27Å; T66-A68 PolarHBondContact O-N 3.33Å; A68-R70 PolarHBondContact O-N 3.21Å; A68-V80 HydrophobicContact CB-CB 3.84Å; A68-V80 HydrophobicContact CB-CG1 3.78Å; A68-V80 HydrophobicContact CB-CG2 3.97Å
69N95.9Very high96.5Very high51 Ų5146.8 Ų46.827%0.27321%0.207SC..  trans-62.4133.6177.8-171.6-48.4000111.3R64 T66 E71 F72R64-N69 VanDerWaalsContact O-CA 3.28Å; R64-N69 WeakPolarHBondContact O-CA 3.34Å; T66-N69 WeakPolarHBondContact O-CB 3.43Å; T66-N69 PolarHBondContact O-N 2.7Å; N69-E71 PolarHBondContact O-N 3.27Å; N69-E71 VanDerWaalsContact O-N 3.11Å; N69-E71 WeakPolarHBondContact OD1-CB 3.04Å; N69-E71 WeakPolarHBondContact OD1-CG 3.34Å; N69-E71 PolarHBondContact OD1-N 3.1Å; N69-F72 HydrophobicContact CB-CD2 4Å; N69-F72 HydrophobicContact CB-CE2 4.08Å; N69-F72 VanDerWaalsContact O-CB 3.23Å; N69-F72 WeakPolarHBondContact O-CB 3.09Å; N69-F72 PolarHBondContact O-N 3.47Å
70R95.3Very high96.6Very high181 Ų18144.1 Ų44.168%0.68320%0.198SC*.THydrogen-bonded Turntrans-56-28.1179.772.1179.1-172.7-169.7-2.5114.1A68 F72 Y73A68-R70 PolarHBondContact O-N 3.21Å; R70-F72 PolarHBondContact O-N 3.39Å; R70-Y73 WeakPolarHBondContact O-CB 3.1Å; R70-Y73 PolarHBondContact O-N 3Å
71E94.5Very high96.6Very high81 Ų8144.2 Ų44.238%0.37920%0.198SC..THydrogen-bonded Turntrans-65.8-21.5177.2-60.5-52.6129.500111.9N69 Y73 K74N69-E71 PolarHBondContact O-N 3.27Å; N69-E71 VanDerWaalsContact O-N 3.11Å; N69-E71 WeakPolarHBondContact OD1-CB 3.04Å; N69-E71 WeakPolarHBondContact OD1-CG 3.34Å; N69-E71 PolarHBondContact OD1-N 3.1Å; E71-Y73 PolarHBondContact O-N 3.4Å; E71-K74 PolarHBondContact O-N 3.46Å; E71-K74 IonicContact OE2-NZ 3.46Å; E71-K74 PolarHBondContact OE2-NZ 2.84Å
72F95.4Very high96.7Very high12 Ų1242.5 Ų42.55%0.05319%0.187CC..Hα-helixtrans-67.3-15.3172.2-67.4-33.3000113.7W67 N69 R70 K75 F76 K77 L78 T151 F152 W286 Y299W67-F72 VanDerWaalsContact O-CD2 3.3Å; W67-F72 WeakPolarHBondContact O-CD2 3.42Å; W67-F72 WeakPolarHBondContact O-CE2 3.27Å; N69-F72 HydrophobicContact CB-CD2 4Å; N69-F72 HydrophobicContact CB-CE2 4.08Å; N69-F72 VanDerWaalsContact O-CB 3.23Å; N69-F72 WeakPolarHBondContact O-CB 3.09Å; N69-F72 PolarHBondContact O-N 3.47Å; R70-F72 PolarHBondContact O-N 3.39Å; F72-K75 PolarHBondContact O-N 3.43Å; F72-F76 HydrophobicContact CB-CD2 3.93Å; F72-F76 AromaticContact CD1-CD2 3.76Å; F72-F76 HydrophobicContact CD1-CD2 3.76Å; F72-F76 AromaticContact CD1-CE2 3.7Å; F72-F76 HydrophobicContact CD1-CE2 3.7Å; F72-F76 HydrophobicContact CE1-CE2 4.05Å; F72-F76 AromaticContact CG-CD2 3.99Å; F72-F76 HydrophobicContact CG-CD2 3.99Å; F72-F76 HydrophobicContact CG-CE2 4.33Å; F72-F76 WeakPolarHBondContact O-CA 3.37Å; F72-F76 WeakPolarHBondContact O-CB 3.45Å; F72-F76 PolarHBondContact O-N 3.19Å; F72-K77 PolarHBondContact O-N 3.03Å; F72-L78 HydrophobicContact CB-CB 4.47Å; F72-L78 HydrophobicContact CB-CD2 4.39Å; F72-T151 HydrophobicContact CD2-CG2 3.89Å; F72-T151 HydrophobicContact CE2-CG2 4.11Å; F72-T151 HydrophobicContact CG-CG2 4.34Å; F72-F152 AromaticContact CE1-CE1 3.99Å; F72-F152 HydrophobicContact CE1-CE1 3.99Å; F72-F152 AromaticContact CE1-CZ 4Å; F72-F152 HydrophobicContact CE1-CZ 4Å; F72-F152 HydrophobicContact CZ-CE1 4.24Å; F72-F152 AromaticContact CZ-CZ 3.86Å; F72-F152 HydrophobicContact CZ-CZ 3.86Å; F72-W286 AromaticContact CE2-CH2 3.54Å; F72-W286 HydrophobicContact CE2-CH2 3.54Å; F72-W286 AromaticContact CE2-CZ2 3.67Å; F72-W286 HydrophobicContact CE2-CZ2 3.67Å; F72-W286 AromaticContact CZ-CH2 3.53Å; F72-W286 HydrophobicContact CZ-CH2 3.53Å; F72-W286 AromaticContact CZ-CZ2 3.54Å; F72-W286 HydrophobicContact CZ-CZ2 3.54Å; F72-Y299 HydrophobicContact CE1-CE1 4.09Å
73Y96.8Very high96.7Very high30 Ų3041.6 Ų41.612%0.11818%0.182CC..Hα-helixtrans-62.7-45170-179.3-108.6000111.4Y41 P42 E43 R70 E71 K75 K77 L78Y41-Y73 VanDerWaalsContact C-OH 3.23Å; Y41-Y73 WeakPolarHBondContact CA-OH 3.19Å; Y41-Y73 AromaticContact CD1-CD1 3.69Å; Y41-Y73 HydrophobicContact CD1-CD1 3.69Å; Y41-Y73 AromaticContact CD1-CD2 3.36Å; Y41-Y73 HydrophobicContact CD1-CD2 3.36Å; Y41-Y73 AromaticContact CD1-CE1 3.86Å; Y41-Y73 HydrophobicContact CD1-CE1 3.86Å; Y41-Y73 AromaticContact CD1-CE2 3.56Å; Y41-Y73 HydrophobicContact CD1-CE2 3.56Å; Y41-Y73 AromaticContact CD1-CG 3.43Å; Y41-Y73 HydrophobicContact CD1-CG 3.43Å; Y41-Y73 VanDerWaalsContact CD1-CG 3.43Å; Y41-Y73 AromaticContact CD1-CZ 3.8Å; Y41-Y73 HydrophobicContact CE1-CD1 4.08Å; Y41-Y73 HydrophobicContact CE1-CD2 4.06Å; Y41-Y73 AromaticContact CE1-CG 3.76Å; Y41-Y73 HydrophobicContact CE1-CG 3.76Å; Y41-Y73 HydrophobicContact CG-CD2 4.15Å; Y41-Y73 HydrophobicContact CG-CE2 4.05Å; P42-Y73 WeakPolarHBondContact CD-OH 3.33Å; E43-Y73 PolarHBondContact N-OH 2.85Å; R70-Y73 WeakPolarHBondContact O-CB 3.1Å; R70-Y73 PolarHBondContact O-N 3Å; E71-Y73 PolarHBondContact O-N 3.4Å; Y73-K75 PolarHBondContact O-N 3.07Å; Y73-K77 HydrophobicContact CE2-CB 4.35Å; Y73-K77 HydrophobicContact CE2-CD 4.29Å; Y73-K77 WeakPolarHBondContact O-CA 3.33Å; Y73-K77 WeakPolarHBondContact O-CD 3.2Å; Y73-K77 PolarHBondContact O-N 3.14Å; Y73-L78 VanDerWaalsContact CA-O 3.27Å; Y73-L78 WeakPolarHBondContact CA-O 3.35Å; Y73-L78 WeakPolarHBondContact CB-O 3.41Å; Y73-L78 PolarHBondContact N-O 3.08Å
74K94.5Very high96.8Very high150 Ų15041.5 Ų41.565%0.65218%0.181SC*.Hα-helixtrans-57.2-39.5-178.4-68.7174.8-178.4159.50112E71E71-K74 PolarHBondContact O-N 3.46Å; E71-K74 IonicContact OE2-NZ 3.46Å; E71-K74 PolarHBondContact OE2-NZ 2.84Å
75K91.7Very high96.8Very high96 Ų9640.3 Ų40.342%0.41718%0.177SC..Hα-helixtrans-93.9-48-173.5-170.963174.9-172.40113.9F72 Y73 Y299 N300F72-K75 PolarHBondContact O-N 3.43Å; Y73-K75 PolarHBondContact O-N 3.07Å; K75-Y299 WeakPolarHBondContact CE-O 3.46Å; K75-Y299 PolarHBondContact NZ-O 3.44Å; K75-N300 PolarHBondContact NZ-OD1 3.02Å
76F95.6Very high96.8Very high23 Ų2336.8 Ų36.810%0.10116%0.163CC..Hα-helixtrans-103.8-8-171.9-61.1-52.9000113F72 L78 T151 F152 M155 Y299F72-F76 HydrophobicContact CB-CD2 3.93Å; F72-F76 AromaticContact CD1-CD2 3.76Å; F72-F76 HydrophobicContact CD1-CD2 3.76Å; F72-F76 AromaticContact CD1-CE2 3.7Å; F72-F76 HydrophobicContact CD1-CE2 3.7Å; F72-F76 HydrophobicContact CE1-CE2 4.05Å; F72-F76 AromaticContact CG-CD2 3.99Å; F72-F76 HydrophobicContact CG-CD2 3.99Å; F72-F76 HydrophobicContact CG-CE2 4.33Å; F72-F76 WeakPolarHBondContact O-CA 3.37Å; F72-F76 WeakPolarHBondContact O-CB 3.45Å; F72-F76 PolarHBondContact O-N 3.19Å; F76-L78 HydrophobicContact CB-CB 4.13Å; F76-L78 PolarHBondContact O-N 2.84Å; F76-T151 HydrophobicContact CD2-CG2 4.25Å; F76-F152 AromaticContact CE2-CD1 3.9Å; F76-F152 HydrophobicContact CE2-CD1 3.9Å; F76-F152 AromaticContact CE2-CE1 3.92Å; F76-F152 HydrophobicContact CE2-CE1 3.92Å; F76-F152 AromaticContact CZ-CD1 3.69Å; F76-F152 HydrophobicContact CZ-CD1 3.69Å; F76-F152 HydrophobicContact CZ-CE1 4.03Å; F76-M155 HydrophobicContact CB-CB 4.49Å; F76-M155 HydrophobicContact CB-CE 3.83Å; F76-M155 HydrophobicContact CB-CG 3.86Å; F76-M155 HydrophobicContact CB-SD 4.27Å; F76-M155 HydrophobicContact CD1-CB 3.95Å; F76-M155 HydrophobicContact CD1-CG 4.12Å; F76-M155 HydrophobicContact CD2-CG 4.3Å; F76-M155 HydrophobicContact CE1-CB 4.46Å; F76-M155 HydrophobicContact CG-CB 4.2Å; F76-M155 HydrophobicContact CG-CG 3.83Å; F76-M155 VanDerWaalsContact O-CE 3.29Å; F76-M155 WeakPolarHBondContact O-CE 3.2Å; F76-Y299 HydrophobicContact CZ-CD1 4.46Å
77K97.5Very high96.9Very high47 Ų4737.8 Ų37.820%0.20417%0.167CC..  trans52.736.1-169-50.2-65.8-177.6178.50111.3E43 F45 V46 F72 Y73E43-K77 HydrophobicContact CB-CD 3.96Å; E43-K77 VanDerWaalsContact O-CB 3.26Å; E43-K77 WeakPolarHBondContact O-CB 3.43Å; E43-K77 WeakPolarHBondContact O-CG 3.19Å; E43-K77 IonicContact OE1-NZ 2.72Å; E43-K77 IonicContact OE2-NZ 3.56Å; E43-K77 PolarHBondContact OE2-NZ 3.33Å; F45-K77 HydrophobicContact CB-CB 3.7Å; F45-K77 PolarHBondContact N-O 3.2Å; V46-K77 PolarHBondContact N-O 2.68Å; F72-K77 PolarHBondContact O-N 3.03Å; Y73-K77 HydrophobicContact CE2-CB 4.35Å; Y73-K77 HydrophobicContact CE2-CD 4.29Å; Y73-K77 WeakPolarHBondContact O-CA 3.33Å; Y73-K77 WeakPolarHBondContact O-CD 3.2Å; Y73-K77 PolarHBondContact O-N 3.14Å
78L98.2Very high96.9Very high6 Ų641.5 Ų41.53%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-92127.8174.3173.966000109V46 A48 F72 Y73 F76 T151 M155V46-L78 HydrophobicContact CB-CD1 3.84Å; V46-L78 HydrophobicContact CG1-CD1 3.75Å; V46-L78 WeakPolarHBondContact O-CA 3.21Å; A48-L78 HydrophobicContact CB-CD1 4.11Å; F72-L78 HydrophobicContact CB-CB 4.47Å; F72-L78 HydrophobicContact CB-CD2 4.39Å; Y73-L78 VanDerWaalsContact CA-O 3.27Å; Y73-L78 WeakPolarHBondContact CA-O 3.35Å; Y73-L78 WeakPolarHBondContact CB-O 3.41Å; Y73-L78 PolarHBondContact N-O 3.08Å; F76-L78 HydrophobicContact CB-CB 4.13Å; F76-L78 PolarHBondContact O-N 2.84Å; L78-T151 HydrophobicContact CD2-CG2 3.52Å; L78-M155 HydrophobicContact CB-SD 4.27Å; L78-M155 HydrophobicContact CD1-SD 4.43Å; L78-M155 HydrophobicContact CD2-SD 4.43Å
79A98.4Very high96.9Very high5 Ų549 Ų494%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-125.5162.6166.400000109.8F36 Y41 I44 V46 I47 A48F36-A79 HydrophobicContact CE1-CB 3.97Å; F36-A79 HydrophobicContact CZ-CB 4.27Å; Y41-A79 HydrophobicContact CD1-CB 3.98Å; Y41-A79 HydrophobicContact CD2-CB 3.71Å; Y41-A79 HydrophobicContact CE1-CB 4.15Å; Y41-A79 HydrophobicContact CE2-CB 3.9Å; Y41-A79 HydrophobicContact CG-CB 3.73Å; I44-A79 HydrophobicContact CD1-CB 3.84Å; V46-A79 PolarHBondContact O-N 2.03Å; V46-A79 VanDerWaalsContact O-N 3.13Å; I47-A79 HydrophobicContact CD1-CB 4.37Å; A48-A79 PolarHBondContact N-O 3.05Å
80V98.7Very high96.9Very high11 Ų1149.8 Ų49.87%0.06723%0.228CC..EExtended strand (participates in β ladder)trans-128.9141.9-177.962.10000110.6F36 A48 V50 A68 F82 D106F36-V80 VanDerWaalsContact CZ-O 3.31Å; F36-V80 WeakPolarHBondContact CZ-O 3.27Å; A48-V80 HydrophobicContact CB-CB 4.14Å; A48-V80 HydrophobicContact CB-CG2 4.05Å; A48-V80 CarbonylContact O-C 3.5Å; A48-V80 WeakPolarHBondContact O-CA 3.35Å; V50-V80 HydrophobicContact CG2-CG2 3.75Å; A68-V80 HydrophobicContact CB-CB 3.84Å; A68-V80 HydrophobicContact CB-CG1 3.78Å; A68-V80 HydrophobicContact CB-CG2 3.97Å; V80-F82 HydrophobicContact CG2-CZ 4.36Å; V80-D106 WeakPolarHBondContact O-CB 3.46Å
81I98.8Very high96.9Very high1 Ų145.9 Ų45.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-124.1155.6160.962.484.9000110.8F36 I47 A48 I49 V50 A83 D106 V108 W129F36-I81 HydrophobicContact CD1-CG2 4.1Å; F36-I81 HydrophobicContact CD2-CG2 4.24Å; F36-I81 HydrophobicContact CE1-CG2 3.6Å; F36-I81 HydrophobicContact CE2-CG2 3.75Å; F36-I81 HydrophobicContact CG-CG2 4.4Å; F36-I81 HydrophobicContact CZ-CG2 3.4Å; I47-I81 HydrophobicContact CD1-CG1 4.41Å; I47-I81 HydrophobicContact CD1-CG2 4.25Å; A48-I81 PolarHBondContact O-N 3.12Å; I49-I81 HydrophobicContact CB-CD1 4.09Å; I49-I81 HydrophobicContact CG1-CD1 3.87Å; I49-I81 HydrophobicContact CG1-CG1 3.99Å; I49-I81 HydrophobicContact CG2-CD1 3.74Å; V50-I81 PolarHBondContact N-O 2.85Å; I81-A83 HydrophobicContact CD1-CB 4.34Å; I81-D106 CarbonylContact C-O 3.49Å; I81-D106 WeakPolarHBondContact CA-O 3.08Å; I81-V108 HydrophobicContact CB-CG2 4.23Å; I81-V108 HydrophobicContact CD1-CG2 4.21Å; I81-V108 HydrophobicContact CG1-CG2 4.36Å; I81-V108 HydrophobicContact CG2-CG2 4.43Å; I81-W129 HydrophobicContact CB-CH2 4.41Å; I81-W129 HydrophobicContact CG1-CE3 4.4Å; I81-W129 HydrophobicContact CG1-CH2 3.9Å; I81-W129 HydrophobicContact CG1-CZ3 3.8Å; I81-W129 HydrophobicContact CG2-CH2 3.67Å; I81-W129 HydrophobicContact CG2-CZ2 4.04Å; I81-W129 HydrophobicContact CG2-CZ3 4.43Å
82F98.9Very high97Very high0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-108.3114.2174.8-64-76.2000109.2V50 T52 R60 I63 R64 V80 D106 I107 V108V50-F82 HydrophobicContact CB-CD1 3.59Å; V50-F82 HydrophobicContact CB-CE1 3.88Å; V50-F82 HydrophobicContact CG1-CD1 3.74Å; V50-F82 HydrophobicContact CG1-CE1 3.92Å; V50-F82 HydrophobicContact CG2-CD1 4.22Å; V50-F82 HydrophobicContact CG2-CE1 4.04Å; T52-F82 HydrophobicContact CG2-CB 3.86Å; T52-F82 HydrophobicContact CG2-CD1 4.06Å; T52-F82 HydrophobicContact CG2-CG 4.39Å; R60-F82 HydrophobicContact CB-CD1 4.08Å; R60-F82 HydrophobicContact CB-CD2 4.46Å; R60-F82 HydrophobicContact CB-CE1 3.82Å; R60-F82 HydrophobicContact CB-CE2 4.24Å; R60-F82 HydrophobicContact CB-CG 4.39Å; R60-F82 HydrophobicContact CB-CZ 3.9Å; R60-F82 HydrophobicContact CG-CB 4.47Å; R60-F82 HydrophobicContact CG-CD1 3.48Å; R60-F82 VanDerWaalsContact CG-CD1 3.48Å; R60-F82 HydrophobicContact CG-CD2 4.37Å; R60-F82 HydrophobicContact CG-CE1 3.7Å; R60-F82 HydrophobicContact CG-CG 3.84Å; R60-F82 HydrophobicContact CG-CZ 4.24Å; I63-F82 HydrophobicContact CB-CE1 4.11Å; I63-F82 HydrophobicContact CB-CZ 4.09Å; I63-F82 HydrophobicContact CD1-CE1 4.09Å; I63-F82 HydrophobicContact CG2-CE1 3.9Å; I63-F82 HydrophobicContact CG2-CZ 3.81Å; R64-F82 HydrophobicContact CG-CE2 3.91Å; R64-F82 HydrophobicContact CG-CZ 4.03Å; V80-F82 HydrophobicContact CG2-CZ 4.36Å; F82-D106 PolarHBondContact N-O 3.39Å; F82-I107 HydrophobicContact CB-CG1 4.4Å; F82-V108 PolarHBondContact O-N 3.42Å
83A98.9Very high97.1Very high0 Ų046.3 Ų46.30%024%0.239CC..EExtended strand (participates in β ladder)trans-88.1116.9178.400000109.9I49 V50 T52 I81 F110 K122I49-A83 HydrophobicContact CG2-CB 4.24Å; V50-A83 PolarHBondContact O-N 2.98Å; T52-A83 PolarHBondContact N-O 3.16Å; I81-A83 HydrophobicContact CD1-CB 4.34Å; A83-F110 HydrophobicContact CB-CE2 4.03Å; A83-K122 HydrophobicContact CB-CD 4.37Å; A83-K122 HydrophobicContact CB-CG 4.38Å
84V98.7Very high97.1Very high0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-133.3149.9-177-62.40000111.5T52 I107 V108 Q109 F110T52-V84 HydrophobicContact CG2-CG1 3.41Å; T52-V84 VanDerWaalsContact CG2-CG1 3.41Å; V84-I107 HydrophobicContact CG2-CG2 3.55Å; V84-V108 PolarHBondContact N-O 2.64Å; V84-Q109 HydrophobicContact CG2-CB 3.73Å; V84-Q109 HydrophobicContact CG2-CG 3.92Å; V84-Q109 VanDerWaalsContact O-CA 3.29Å; V84-Q109 WeakPolarHBondContact O-CA 3.14Å; V84-F110 VanDerWaalsContact O-CD2 3.29Å; V84-F110 WeakPolarHBondContact O-CD2 3.36Å; V84-F110 PolarHBondContact O-N 2.86Å
85G98.4Very high97.3Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-96.6-157.6164.900000112.1Q109 F112 D114G85-Q109 PolarHBondContact O-NE2 2.78Å; G85-F112 CarbonylContact C-O 3.55Å; G85-F112 WeakPolarHBondContact CA-O 3.46Å; G85-D114 PolarHBondContact N-OD2 3.37Å
86E98.4Very high97.6Very high65 Ų6540.8 Ų40.830%0.30423%0.231SC..EExtended strand (participates in β ladder)trans-94.5152.9176.6-65.2178.3101.800111.9I30 N111 F112 D114I30-E86 VanDerWaalsContact CD1-CD 3.46Å; I30-E86 HydrophobicContact CD1-CG 3.61Å; I30-E86 WeakPolarHBondContact CD1-OE1 3.34Å; E86-N111 WeakPolarHBondContact OE2-CA 3.45Å; E86-F112 PolarHBondContact N-O 3.02Å; E86-F112 PolarHBondContact OE2-N 3.42Å; E86-D114 PolarHBondContact O-N 3.23Å
87D97.9Very high97.7Very high26 Ų2639.7 Ų39.714%0.13923%0.226CC..  trans-120.279.5169.4-168-17.5000109.3P54 R55 Q89 H90 V93P54-D87 HydrophobicContact CB-CB 4.17Å; P54-D87 HydrophobicContact CG-CB 3.63Å; R55-D87 WeakPolarHBondContact CD-OD2 2.97Å; R55-D87 VanDerWaalsContact CG-OD2 3.24Å; R55-D87 WeakPolarHBondContact CG-OD2 3Å; R55-D87 IonicContact NE-OD2 3.67Å; D87-Q89 PolarHBondContact O-N 2.82Å; D87-Q89 VanDerWaalsContact O-N 3.16Å; D87-Q89 PolarHBondContact OD1-N 2.94Å; D87-H90 VanDerWaalsContact CG-ND1 3.32Å; D87-H90 CarbonylContact O-C 3.58Å; D87-H90 PolarHBondContact O-N 3.04Å; D87-H90 IonicContact OD1-CE1 3.89Å; D87-H90 IonicContact OD1-CG 3.74Å; D87-H90 PolarHBondContact OD1-N 3.22Å; D87-H90 IonicContact OD1-ND1 2.87Å; D87-H90 PolarHBondContact OD1-ND1 2.86Å; D87-H90 IonicContact OD2-CG 3.77Å; D87-H90 IonicContact OD2-ND1 3.16Å; D87-H90 PolarHBondContact OD2-ND1 3.1Å; D87-H90 VanDerWaalsContact OD2-ND1 3.16Å; D87-V93 HydrophobicContact CB-CG1 4.42Å
88P96.3Very high97.7Very high82 Ų8240.6 Ų40.653%0.53223%0.231SC..THydrogen-bonded Turntrans-64.6-20-175.826.9-34.2000112.6H90 T113P88-H90 VanDerWaalsContact C-N 3.29Å; P88-T113 HydrophobicContact CG-CG2 3.91Å
89Q96.2Very high97.7Very high163 Ų16347.1 Ų47.176%0.76226%0.255SS*.THydrogen-bonded Turntrans-74.8-20.8176.7-64.2-178.20.700112.4D87D87-Q89 PolarHBondContact O-N 2.82Å; D87-Q89 VanDerWaalsContact O-N 3.16Å; D87-Q89 PolarHBondContact OD1-N 2.94Å
90H96.7Very high97.7Very high66 Ų6647.8 Ų47.831%0.30626%0.258SS..  trans-132.174.7-177.6-51.686.3000111.3R55 D87 P88 S92 V93R55-H90 PolarHBondContact NH1-CE1 3.05Å; D87-H90 VanDerWaalsContact CG-ND1 3.32Å; D87-H90 CarbonylContact O-C 3.58Å; D87-H90 PolarHBondContact O-N 3.04Å; D87-H90 IonicContact OD1-CE1 3.89Å; D87-H90 IonicContact OD1-CG 3.74Å; D87-H90 PolarHBondContact OD1-N 3.22Å; D87-H90 IonicContact OD1-ND1 2.87Å; D87-H90 PolarHBondContact OD1-ND1 2.86Å; D87-H90 IonicContact OD2-CG 3.77Å; D87-H90 IonicContact OD2-ND1 3.16Å; D87-H90 PolarHBondContact OD2-ND1 3.1Å; D87-H90 VanDerWaalsContact OD2-ND1 3.16Å; P88-H90 VanDerWaalsContact C-N 3.29Å; H90-S92 PolarHBondContact O-N 2.85Å; H90-V93 HydrophobicContact CB-CB 4.35Å; H90-V93 HydrophobicContact CB-CG2 3.51Å; H90-V93 WeakPolarHBondContact O-CB 3.47Å; H90-V93 WeakPolarHBondContact O-CG2 3.32Å; H90-V93 PolarHBondContact O-N 3.12Å
91P94.1Very high97.7Very high99 Ų9949.6 Ų49.664%0.64326%0.263SS*.Hα-helixtrans-55.5-28.2-176.2-27.635.5000115.1V93 Q94P91-V93 PolarHBondContact O-N 2.71Å; P91-Q94 WeakPolarHBondContact O-CB 3.38Å; P91-Q94 PolarHBondContact O-N 3.19Å; P91-Q94 VanDerWaalsContact O-N 3.11Å
92S96.6Very high97.7Very high88 Ų8855 Ų5562%0.61529%0.289SS*.Hα-helixtrans-63.3-22.8175.160.30000113.7H90 Q94 A95 T96H90-S92 PolarHBondContact O-N 2.85Å; S92-Q94 VanDerWaalsContact C-N 3.29Å; S92-Q94 PolarHBondContact O-N 2.96Å; S92-A95 PolarHBondContact O-N 2.85Å; S92-T96 PolarHBondContact O-N 3.13Å; S92-T96 PolarHBondContact O-OG1 3.36Å
93V97.7Very high97.6Very high14 Ų1459.6 Ų59.69%0.08532%0.317CS..Hα-helixtrans-64.6-36.7174.5176.70000110.2P54 R55 F57 D87 H90 P91 T96 L97P54-V93 HydrophobicContact CB-CG1 3.83Å; R55-V93 HydrophobicContact CG-CG1 4.24Å; R55-V93 HydrophobicContact CG-CG2 3.87Å; F57-V93 HydrophobicContact CE2-CG1 4.26Å; F57-V93 HydrophobicContact CZ-CG1 3.94Å; D87-V93 HydrophobicContact CB-CG1 4.42Å; H90-V93 HydrophobicContact CB-CB 4.35Å; H90-V93 HydrophobicContact CB-CG2 3.51Å; H90-V93 WeakPolarHBondContact O-CB 3.47Å; H90-V93 WeakPolarHBondContact O-CG2 3.32Å; H90-V93 PolarHBondContact O-N 3.12Å; P91-V93 PolarHBondContact O-N 2.71Å; V93-T96 PolarHBondContact O-N 2.93Å; V93-T96 VanDerWaalsContact O-N 3.14Å; V93-L97 HydrophobicContact CG1-CD1 4.05Å; V93-L97 HydrophobicContact CG1-CG 4.3Å; V93-L97 WeakPolarHBondContact O-CG 3.41Å; V93-L97 PolarHBondContact O-N 3.25Å
94Q98Very high97.6Very high58 Ų5864.1 Ų64.127%0.27133%0.334SS..Hα-helixtrans-62.4-46.4178.2-173.158.531.500111.9P91 S92 T96 L97 Q98P91-Q94 WeakPolarHBondContact O-CB 3.38Å; P91-Q94 PolarHBondContact O-N 3.19Å; P91-Q94 VanDerWaalsContact O-N 3.11Å; S92-Q94 VanDerWaalsContact C-N 3.29Å; S92-Q94 PolarHBondContact O-N 2.96Å; Q94-T96 PolarHBondContact O-N 2.88Å; Q94-L97 PolarHBondContact O-N 2.79Å; Q94-Q98 WeakPolarHBondContact O-CB 3.41Å; Q94-Q98 PolarHBondContact O-N 3.25Å
95A97.3Very high97.5Very high54 Ų5467.6 Ų67.645%0.44635%0.351SS..Hα-helixtrans-63.6-26.717700000112.7S92 R99S92-A95 PolarHBondContact O-N 2.85Å; A95-R99 PolarHBondContact O-N 2.76Å; A95-R99 PolarHBondContact O-NE 2.91Å
96T97.6Very high97.5Very high48 Ų4868.2 Ų68.229%0.29435%0.354SS..Hα-helixtrans-81-40.1176.2-51.40000111.5F57 S92 V93 Q94 R99 E100F57-T96 HydrophobicContact CD1-CG2 4Å; F57-T96 HydrophobicContact CE1-CG2 3.45Å; F57-T96 VanDerWaalsContact CE1-CG2 3.45Å; F57-T96 HydrophobicContact CE2-CG2 4.18Å; F57-T96 HydrophobicContact CZ-CG2 3.56Å; S92-T96 PolarHBondContact O-N 3.13Å; S92-T96 PolarHBondContact O-OG1 3.36Å; V93-T96 PolarHBondContact O-N 2.93Å; V93-T96 VanDerWaalsContact O-N 3.14Å; Q94-T96 PolarHBondContact O-N 2.88Å; T96-R99 PolarHBondContact O-N 2.89Å; T96-R99 PolarHBondContact OG1-NH2 3.04Å; T96-E100 PolarHBondContact O-N 2.02Å
97L98.2Very high97.6Very high1 Ų165.1 Ų65.11%0.00534%0.34CS..Hα-helixtrans-61.6-41.6172.5-78.1171.1000112.1L31 P54 F57 R60 V93 Q94 R99 E100 W101 I107L31-L97 HydrophobicContact CD1-CB 4.16Å; P54-L97 HydrophobicContact CB-CD1 3.74Å; F57-L97 HydrophobicContact CE1-CD2 3.98Å; F57-L97 HydrophobicContact CE1-CG 4.11Å; F57-L97 HydrophobicContact CZ-CD2 4.42Å; F57-L97 HydrophobicContact CZ-CG 4.22Å; R60-L97 VanDerWaalsContact NH2-CD2 3.29Å; V93-L97 HydrophobicContact CG1-CD1 4.05Å; V93-L97 HydrophobicContact CG1-CG 4.3Å; V93-L97 WeakPolarHBondContact O-CG 3.41Å; V93-L97 PolarHBondContact O-N 3.25Å; Q94-L97 PolarHBondContact O-N 2.79Å; L97-R99 PolarHBondContact O-N 3.11Å; L97-E100 PolarHBondContact O-N 2.93Å; L97-W101 WeakPolarHBondContact O-CB 3.42Å; L97-W101 PolarHBondContact O-N 3.29Å; L97-I107 HydrophobicContact CD2-CD1 3.96Å
98Q98.3Very high97.6Very high65 Ų6564 Ų6430%0.30433%0.334SS..Hα-helixtrans-56.6-50.3175.5179.365.145.100111.2Q94 E100 W101 E102Q94-Q98 WeakPolarHBondContact O-CB 3.41Å; Q94-Q98 PolarHBondContact O-N 3.25Å; Q98-E100 PolarHBondContact O-N 2.61Å; Q98-W101 WeakPolarHBondContact O-CB 3.35Å; Q98-W101 PolarHBondContact O-N 3.23Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.3Å; Q98-E102 PolarHBondContact NE2-OE1 2.92Å; Q98-E102 WeakPolarHBondContact O-CG 3.43Å; Q98-E102 PolarHBondContact O-N 2.81Å
99R98.3Very high97.7Very high144 Ų14460.1 Ų60.154%0.54331%0.308SS..Hα-helixtrans-63.3-40.1177.2-74.4178.2-77153.1-5.2112.9A95 T96 L97 W101 E102 T103A95-R99 PolarHBondContact O-N 2.76Å; A95-R99 PolarHBondContact O-NE 2.91Å; T96-R99 PolarHBondContact O-N 2.89Å; T96-R99 PolarHBondContact OG1-NH2 3.04Å; L97-R99 PolarHBondContact O-N 3.11Å; R99-W101 VanDerWaalsContact C-N 3.33Å; R99-E102 PolarHBondContact O-N 2.7Å; R99-T103 PolarHBondContact O-N 2.6Å; R99-T103 PolarHBondContact O-OG1 3.47Å
100E98.4Very high97.8Very high19 Ų1952.4 Ų52.49%0.08927%0.272CS..Hα-helixtrans-61.6-43.2174.2-171.6-176.9179.300111.2F57 R60 R64 T96 L97 Q98 T103 Y104 I107F57-E100 WeakPolarHBondContact CD1-OE2 3.46Å; F57-E100 WeakPolarHBondContact CE1-OE2 3.47Å; R60-E100 IonicContact CZ-OE1 3.85Å; R60-E100 IonicContact CZ-OE2 2.78Å; R60-E100 VanDerWaalsContact CZ-OE2 3.28Å; R60-E100 VanDerWaalsContact NE-CD 3.33Å; R60-E100 IonicContact NE-OE1 2.72Å; R60-E100 PolarHBondContact NE-OE1 3.28Å; R60-E100 IonicContact NE-OE2 2.64Å; R60-E100 PolarHBondContact NE-OE2 3.27Å; R60-E100 IonicContact NH2-OE2 3.66Å; R60-E100 PolarHBondContact NH2-OE2 2.81Å; R64-E100 IonicContact CZ-OE1 2.71Å; R64-E100 IonicContact NH1-OE1 2.83Å; R64-E100 PolarHBondContact NH1-OE1 2.81Å; R64-E100 IonicContact NH2-OE1 3.9Å; R64-E100 PolarHBondContact NH2-OE1 2.82Å; T96-E100 PolarHBondContact O-N 2.02Å; L97-E100 PolarHBondContact O-N 2.93Å; Q98-E100 PolarHBondContact O-N 2.61Å; E100-T103 PolarHBondContact O-N 3.12Å; E100-Y104 HydrophobicContact CG-CD2 3.82Å; E100-Y104 HydrophobicContact CG-CE2 4.18Å; E100-Y104 VanDerWaalsContact O-CD2 3.32Å; E100-Y104 WeakPolarHBondContact O-CD2 3.23Å; E100-Y104 PolarHBondContact O-N 3.43Å; E100-I107 HydrophobicContact CB-CD1 3.94Å; E100-I107 HydrophobicContact CG-CD1 3.78Å
101W98.4Very high97.8Very high49 Ų4951.6 Ų51.619%0.18627%0.27CS..Hα-helixtrans-65.8-40.9176.9177.484.3000112.3L31 I32 L97 Q98 R99 T103 Y104 E105 I107L31-W101 HydrophobicContact CB-CD2 4.48Å; L31-W101 HydrophobicContact CB-CG 4.09Å; L31-W101 HydrophobicContact CD1-CB 3.95Å; L31-W101 HydrophobicContact CD1-CG 4.29Å; L31-W101 HydrophobicContact CD2-CB 4.34Å; L31-W101 HydrophobicContact CD2-CD2 4.03Å; L31-W101 HydrophobicContact CD2-CE3 4.17Å; L31-W101 HydrophobicContact CD2-CG 4.09Å; L31-W101 HydrophobicContact CG-CG 4.39Å; I32-W101 VanDerWaalsContact O-CZ2 3.32Å; I32-W101 WeakPolarHBondContact O-CZ2 3.48Å; L97-W101 WeakPolarHBondContact O-CB 3.42Å; L97-W101 PolarHBondContact O-N 3.29Å; Q98-W101 WeakPolarHBondContact O-CB 3.35Å; Q98-W101 PolarHBondContact O-N 3.23Å; R99-W101 VanDerWaalsContact C-N 3.33Å; W101-T103 PolarHBondContact O-N 2.85Å; W101-Y104 PolarHBondContact O-N 3.26Å; W101-E105 WeakPolarHBondContact O-CA 3.01Å; W101-E105 PolarHBondContact O-N 3.07Å; W101-I107 HydrophobicContact CB-CB 4.35Å; W101-I107 HydrophobicContact CB-CD1 4.36Å; W101-I107 VanDerWaalsContact CD1-O 3.28Å
102E98.3Very high98Very high115 Ų11547.7 Ų47.754%0.53724%0.243SC..Hα-helixtrans-60.4-29.6174.1-74.6162-174.900112.7Q98 R99Q98-E102 WeakPolarHBondContact CG-OE1 3.3Å; Q98-E102 PolarHBondContact NE2-OE1 2.92Å; Q98-E102 WeakPolarHBondContact O-CG 3.43Å; Q98-E102 PolarHBondContact O-N 2.81Å; R99-E102 PolarHBondContact O-N 2.7Å
103T97.7Very high98Very high96 Ų9646.4 Ų46.459%0.58923%0.232SC*.Hα-helixtrans-83.4-43.7-178.7-56.30000112.3R99 E100 W101R99-T103 PolarHBondContact O-N 2.6Å; R99-T103 PolarHBondContact O-OG1 3.47Å; E100-T103 PolarHBondContact O-N 3.12Å; W101-T103 PolarHBondContact O-N 2.85Å
104Y97.9Very high98Very high95 Ų9547.4 Ų47.437%0.37324%0.236SC..Hα-helixtrans-111.1-25.5-169.2-60.7-67.6000113.8K40 E100 W101 D106K40-Y104 PolarHBondContact NZ-O 3Å; E100-Y104 HydrophobicContact CG-CD2 3.82Å; E100-Y104 HydrophobicContact CG-CE2 4.18Å; E100-Y104 VanDerWaalsContact O-CD2 3.32Å; E100-Y104 WeakPolarHBondContact O-CD2 3.23Å; E100-Y104 PolarHBondContact O-N 3.43Å; W101-Y104 PolarHBondContact O-N 3.26Å; Y104-D106 VanDerWaalsContact CB-OD1 3.23Å; Y104-D106 WeakPolarHBondContact CB-OD1 3.31Å; Y104-D106 PolarHBondContact O-N 3.09Å; Y104-D106 VanDerWaalsContact O-N 3.15Å
105E97.7Very high98Very high73 Ų7347.2 Ų47.234%0.34124%0.24SC..  trans52.227.6-176-45.6168.492.300113.7N33 F36 K40 W101N33-E105 HydrophobicContact CB-CB 4.33Å; N33-E105 PolarHBondContact ND2-OE1 2.97Å; F36-E105 WeakPolarHBondContact CD2-O 3.27Å; F36-E105 WeakPolarHBondContact CE2-O 3.47Å; K40-E105 IonicContact NZ-OE2 3.91Å; K40-E105 PolarHBondContact NZ-OE2 3.34Å; W101-E105 WeakPolarHBondContact O-CA 3.01Å; W101-E105 PolarHBondContact O-N 3.07Å
106D98.4Very high97.9Very high12 Ų1251.7 Ų51.76%0.06425%0.246CC..  trans-114.117.9-176.264.53.3000112.5F36 R64 V80 I81 F82 Y104F36-D106 HydrophobicContact CE2-CB 4.17Å; R64-D106 IonicContact CZ-OD1 3.86Å; R64-D106 IonicContact CZ-OD2 3.36Å; R64-D106 IonicContact NE-OD1 3.78Å; R64-D106 PolarHBondContact NE-OD1 3Å; R64-D106 IonicContact NE-OD2 2.7Å; R64-D106 PolarHBondContact NE-OD2 3.11Å; R64-D106 IonicContact NH2-OD1 2.88Å; R64-D106 PolarHBondContact NH2-OD1 3.06Å; R64-D106 IonicContact NH2-OD2 3.4Å; V80-D106 WeakPolarHBondContact O-CB 3.46Å; I81-D106 CarbonylContact C-O 3.49Å; I81-D106 WeakPolarHBondContact CA-O 3.08Å; F82-D106 PolarHBondContact N-O 3.39Å; Y104-D106 VanDerWaalsContact CB-OD1 3.23Å; Y104-D106 WeakPolarHBondContact CB-OD1 3.31Å; Y104-D106 PolarHBondContact O-N 3.09Å; Y104-D106 VanDerWaalsContact O-N 3.15Å
107I98.8Very high97.8Very high1 Ų154 Ų541%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-102.6131.8172.1-61.3176.4000109L31 F82 V84 L97 E100 W101 Q109L31-I107 HydrophobicContact CB-CG2 4.49Å; L31-I107 HydrophobicContact CD1-CG2 4.21Å; F82-I107 HydrophobicContact CB-CG1 4.4Å; V84-I107 HydrophobicContact CG2-CG2 3.55Å; L97-I107 HydrophobicContact CD2-CD1 3.96Å; E100-I107 HydrophobicContact CB-CD1 3.94Å; E100-I107 HydrophobicContact CG-CD1 3.78Å; W101-I107 HydrophobicContact CB-CB 4.35Å; W101-I107 HydrophobicContact CB-CD1 4.36Å; W101-I107 VanDerWaalsContact CD1-O 3.28Å; I107-Q109 HydrophobicContact CG2-CB 4.41Å
108V98.8Very high97.7Very high3 Ų356.1 Ų56.12%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-113.3109.6164.9-177.40000107Y29 L31 I81 F82 V84 F110 W129Y29-V108 HydrophobicContact CD1-CG1 3.8Å; Y29-V108 HydrophobicContact CE1-CG1 4.16Å; L31-V108 WeakPolarHBondContact O-CA 3.34Å; I81-V108 HydrophobicContact CB-CG2 4.23Å; I81-V108 HydrophobicContact CD1-CG2 4.21Å; I81-V108 HydrophobicContact CG1-CG2 4.36Å; I81-V108 HydrophobicContact CG2-CG2 4.43Å; F82-V108 PolarHBondContact O-N 3.42Å; V84-V108 PolarHBondContact N-O 2.64Å; V108-F110 HydrophobicContact CB-CZ 4.45Å; V108-F110 HydrophobicContact CG1-CE1 3.83Å; V108-F110 HydrophobicContact CG1-CE2 4.26Å; V108-F110 HydrophobicContact CG1-CZ 3.65Å; V108-W129 HydrophobicContact CG1-CG 4.13Å; V108-W129 HydrophobicContact CG2-CD2 4.08Å; V108-W129 HydrophobicContact CG2-CG 4.32Å; V108-W129 HydrophobicContact CG2-CZ2 4Å
109Q98.7Very high97.7Very high0 Ų054.1 Ų54.10%025%0.252CS..EExtended strand (participates in β ladder)trans-104.1134.5179.4-176.6176.628.200111Y29 I30 L31 V84 G85 I107Y29-Q109 CarbonylContact C-O 3.51Å; Y29-Q109 WeakPolarHBondContact CA-O 3.24Å; I30-Q109 HydrophobicContact CB-CB 4.2Å; I30-Q109 HydrophobicContact CB-CG 4.02Å; I30-Q109 HydrophobicContact CD1-CG 4.22Å; I30-Q109 PolarHBondContact N-O 2.72Å; L31-Q109 HydrophobicContact CB-CB 3.74Å; L31-Q109 HydrophobicContact CD1-CB 4.19Å; L31-Q109 HydrophobicContact CG-CB 4.04Å; L31-Q109 PolarHBondContact O-N 3.43Å; V84-Q109 HydrophobicContact CG2-CB 3.73Å; V84-Q109 HydrophobicContact CG2-CG 3.92Å; V84-Q109 VanDerWaalsContact O-CA 3.29Å; V84-Q109 WeakPolarHBondContact O-CA 3.14Å; G85-Q109 PolarHBondContact O-NE2 2.78Å; I107-Q109 HydrophobicContact CG2-CB 4.41Å
110F98.4Very high97.7Very high0 Ų047.2 Ų47.20%023%0.226CC..EExtended strand (participates in β ladder)trans-109.4150.3177.9-47.8-83.1000111.5F11 R28 Y29 A83 V84 V108 F112 K122 S125 W126F11-F110 HydrophobicContact CE1-CD1 4.35Å; F11-F110 HydrophobicContact CZ-CD1 4.19Å; F11-F110 HydrophobicContact CZ-CE1 4.47Å; R28-F110 WeakPolarHBondContact O-CA 3.42Å; Y29-F110 AromaticContact CD1-CD1 3.88Å; Y29-F110 HydrophobicContact CD1-CD1 3.88Å; Y29-F110 AromaticContact CD1-CE1 3.8Å; Y29-F110 HydrophobicContact CD1-CE1 3.8Å; Y29-F110 AromaticContact CE1-CD1 3.97Å; Y29-F110 HydrophobicContact CE1-CD1 3.97Å; Y29-F110 AromaticContact CE1-CE1 3.54Å; Y29-F110 HydrophobicContact CE1-CE1 3.54Å; A83-F110 HydrophobicContact CB-CE2 4.03Å; V84-F110 VanDerWaalsContact O-CD2 3.29Å; V84-F110 WeakPolarHBondContact O-CD2 3.36Å; V84-F110 PolarHBondContact O-N 2.86Å; V108-F110 HydrophobicContact CB-CZ 4.45Å; V108-F110 HydrophobicContact CG1-CE1 3.83Å; V108-F110 HydrophobicContact CG1-CE2 4.26Å; V108-F110 HydrophobicContact CG1-CZ 3.65Å; F110-F112 HydrophobicContact CB-CD1 3.71Å; F110-F112 HydrophobicContact CB-CE1 3.13Å; F110-F112 HydrophobicContact CB-CE2 4.37Å; F110-F112 HydrophobicContact CB-CZ 3.48Å; F110-F112 VanDerWaalsContact CB-CZ 3.48Å; F110-F112 HydrophobicContact CD1-CE1 4.48Å; F110-F112 HydrophobicContact CD2-CE1 4.19Å; F110-F112 AromaticContact CD2-CZ 3.81Å; F110-F112 HydrophobicContact CD2-CZ 3.81Å; F110-F112 AromaticContact CG-CE1 3.73Å; F110-F112 HydrophobicContact CG-CE1 3.73Å; F110-F112 AromaticContact CG-CZ 3.84Å; F110-F112 HydrophobicContact CG-CZ 3.84Å; F110-F112 PolarHBondContact O-N 3.26Å; F110-K122 HydrophobicContact CD2-CG 4.44Å; F110-K122 HydrophobicContact CE2-CG 4.29Å; F110-S125 VanDerWaalsContact CD1-CB 3.44Å; F110-W126 HydrophobicContact CZ-CB 4.09Å
111N96.6Very high97.7Very high50 Ų5047.5 Ų47.527%0.26723%0.228SC..EExtended strand (participates in β ladder)trans-82.252.5-177.474.5-38.1000114.4L27 R28 I30 E86L27-N111 WeakPolarHBondContact CA-OD1 3.38Å; R28-N111 HydrophobicContact CB-CB 4.13Å; R28-N111 PolarHBondContact N-OD1 3.28Å; R28-N111 PolarHBondContact O-N 3.44Å; R28-N111 PolarHBondContact O-OD1 3.4Å; I30-N111 HydrophobicContact CD1-CB 3.93Å; I30-N111 HydrophobicContact CG1-CB 4.03Å; E86-N111 WeakPolarHBondContact OE2-CA 3.45Å
112F97.1Very high97.7Very high16 Ų1645.3 Ų45.37%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-141.1150.9169.653.9-103.9000109.7L27 G85 E86 F110 D114 N118 L121 K122L27-F112 HydrophobicContact CD2-CD1 4.41Å; G85-F112 CarbonylContact C-O 3.55Å; G85-F112 WeakPolarHBondContact CA-O 3.46Å; E86-F112 PolarHBondContact N-O 3.02Å; E86-F112 PolarHBondContact OE2-N 3.42Å; F110-F112 HydrophobicContact CB-CD1 3.71Å; F110-F112 HydrophobicContact CB-CE1 3.13Å; F110-F112 HydrophobicContact CB-CE2 4.37Å; F110-F112 HydrophobicContact CB-CZ 3.48Å; F110-F112 VanDerWaalsContact CB-CZ 3.48Å; F110-F112 HydrophobicContact CD1-CE1 4.48Å; F110-F112 HydrophobicContact CD2-CE1 4.19Å; F110-F112 AromaticContact CD2-CZ 3.81Å; F110-F112 HydrophobicContact CD2-CZ 3.81Å; F110-F112 AromaticContact CG-CE1 3.73Å; F110-F112 HydrophobicContact CG-CE1 3.73Å; F110-F112 AromaticContact CG-CZ 3.84Å; F110-F112 HydrophobicContact CG-CZ 3.84Å; F110-F112 PolarHBondContact O-N 3.26Å; F112-D114 PolarHBondContact O-N 2.83Å; F112-N118 HydrophobicContact CD2-CB 4.22Å; F112-L121 HydrophobicContact CB-CD2 3.81Å; F112-L121 HydrophobicContact CD1-CD2 3.48Å; F112-L121 VanDerWaalsContact CD1-CD2 3.48Å; F112-L121 HydrophobicContact CD1-CG 3.75Å; F112-L121 HydrophobicContact CD2-CD2 3.97Å; F112-L121 HydrophobicContact CD2-CG 4.49Å; F112-L121 HydrophobicContact CE1-CD2 4.01Å; F112-L121 HydrophobicContact CE1-CG 3.76Å; F112-L121 HydrophobicContact CE2-CD2 4.49Å; F112-L121 HydrophobicContact CG-CD2 3.47Å; F112-L121 VanDerWaalsContact CG-CD2 3.47Å; F112-L121 HydrophobicContact CG-CG 4.15Å; F112-L121 HydrophobicContact CZ-CG 4.22Å; F112-K122 HydrophobicContact CE2-CB 4.03Å; F112-K122 HydrophobicContact CZ-CB 3.84Å; F112-K122 HydrophobicContact CZ-CG 4.25Å
113T98Very high97.7Very high62 Ų6239.9 Ų39.938%0.3819%0.194SC..EExtended strand (participates in β ladder)trans-58.6128.9177-52.50000111P88 T115 N118P88-T113 HydrophobicContact CG-CG2 3.91Å; T113-T115 HydrophobicContact CG2-CG2 3.79Å; T113-T115 PolarHBondContact O-N 3.44Å; T113-N118 PolarHBondContact O-ND2 3.18Å
114D98Very high97.7Very high34 Ų3435.4 Ų35.418%0.18217%0.166CC..  trans-76.2103.7179.8-155.6-36.8000110.7P54 G85 E86 F112 K122P54-D114 WeakPolarHBondContact CD-OD2 3.25Å; P54-D114 HydrophobicContact CG-CB 4.15Å; G85-D114 PolarHBondContact N-OD2 3.37Å; E86-D114 PolarHBondContact O-N 3.23Å; F112-D114 PolarHBondContact O-N 2.83Å; D114-K122 WeakPolarHBondContact OD1-CE 3.34Å; D114-K122 IonicContact OD1-NZ 3.71Å; D114-K122 PolarHBondContact OD1-NZ 3.23Å; D114-K122 WeakPolarHBondContact OD2-CE 3.36Å; D114-K122 IonicContact OD2-NZ 3.07Å; D114-K122 PolarHBondContact OD2-NZ 3.47Å
115T96.9Very high97.7Very high55 Ų5530.9 Ų30.934%0.33715%0.149SC..  trans-140160-18070.30000110.6T113 R117 N118 L119T113-T115 HydrophobicContact CG2-CG2 3.79Å; T113-T115 PolarHBondContact O-N 3.44Å; T115-R117 VanDerWaalsContact C-N 3.26Å; T115-R117 PolarHBondContact O-N 3.45Å; T115-N118 PolarHBondContact O-N 2.79Å; T115-N118 PolarHBondContact OG1-N 3.26Å; T115-L119 PolarHBondContact O-N 3.43Å
116Y95Very high97.8Very high148 Ų14827.4 Ų27.458%0.5813%0.133SC*.G310 helixtrans-55.8-41.7172.2-75.5-73.2000112.1N118 L119 W189 W231Y116-N118 PolarHBondContact O-N 3.05Å; Y116-N118 VanDerWaalsContact O-N 3.15Å; Y116-L119 HydrophobicContact CD1-CD1 3.82Å; Y116-L119 WeakPolarHBondContact O-CB 3.42Å; Y116-L119 VanDerWaalsContact O-CG 3.27Å; Y116-L119 WeakPolarHBondContact O-CG 3.04Å; Y116-L119 PolarHBondContact O-N 3.5Å; Y116-L119 VanDerWaalsContact O-N 3.09Å; Y116-W189 HydrophobicContact CD1-CH2 4.17Å; Y116-W189 HydrophobicContact CE1-CH2 4.42Å; Y116-W231 VanDerWaalsContact O-CE3 3.27Å
117R95.8Very high97.8Very high97 Ų9726.9 Ų26.937%0.36613%0.13SC..G310 helixtrans-62.4-19.3176.4-72.5-83.8176.9177.1-6.2113.5T115 Y190 E195 W231T115-R117 VanDerWaalsContact C-N 3.26Å; T115-R117 PolarHBondContact O-N 3.45Å; R117-Y190 PolarHBondContact NH2-O 2.99Å; R117-Y190 VanDerWaalsContact NH2-O 3.09Å; R117-E195 IonicContact NH1-OE1 2.74Å; R117-E195 PolarHBondContact NH1-OE1 2.7Å; R117-E195 IonicContact NH1-OE2 3.28Å; R117-E195 PolarHBondContact NH1-OE2 2.82Å; R117-W231 WeakPolarHBondContact O-CB 3.26Å
118N97.1Very high97.7Very high45 Ų4528.5 Ų28.524%0.24114%0.139CC..G310 helixtrans-102.512177.5-73.9-21.2000113.5F112 T113 T115 Y116 S120 L121 K122F112-N118 HydrophobicContact CD2-CB 4.22Å; T113-N118 PolarHBondContact O-ND2 3.18Å; T115-N118 PolarHBondContact O-N 2.79Å; T115-N118 PolarHBondContact OG1-N 3.26Å; Y116-N118 PolarHBondContact O-N 3.05Å; Y116-N118 VanDerWaalsContact O-N 3.15Å; N118-S120 PolarHBondContact O-N 2.9Å; N118-L121 HydrophobicContact CB-CB 4.4Å; N118-L121 WeakPolarHBondContact O-CB 3.28Å; N118-L121 PolarHBondContact O-N 3.28Å; N118-K122 PolarHBondContact O-N 3.44Å
119L97.8Very high97.7Very high22 Ų2228.4 Ų28.412%0.11514%0.138CC..Hα-helixtrans-62.7-40.9179.5-73.3175.2000112.6T115 Y116 L121 K122 A123 W189 D233T115-L119 PolarHBondContact O-N 3.43Å; Y116-L119 HydrophobicContact CD1-CD1 3.82Å; Y116-L119 WeakPolarHBondContact O-CB 3.42Å; Y116-L119 VanDerWaalsContact O-CG 3.27Å; Y116-L119 WeakPolarHBondContact O-CG 3.04Å; Y116-L119 PolarHBondContact O-N 3.5Å; Y116-L119 VanDerWaalsContact O-N 3.09Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 2.93Å; L119-K122 CarbonylContact O-C 3.51Å; L119-K122 WeakPolarHBondContact O-CB 3.48Å; L119-K122 PolarHBondContact O-N 3.4Å; L119-A123 WeakPolarHBondContact O-CB 3.45Å; L119-A123 PolarHBondContact O-N 2.98Å; L119-W189 HydrophobicContact CD1-CH2 4.49Å; L119-W189 HydrophobicContact CD1-CZ3 4.47Å; L119-D233 HydrophobicContact CB-CB 3.73Å
120S97.9Very high97.7Very high0 Ų028.4 Ų28.40%014%0.138CC..Hα-helixtrans-63.7-39.2175.5-72.60000112.5N118 A123 V124 L230 W231 D233N118-S120 PolarHBondContact O-N 2.9Å; S120-A123 PolarHBondContact O-N 2.98Å; S120-V124 WeakPolarHBondContact O-CG2 3.34Å; S120-V124 PolarHBondContact O-N 3.43Å; S120-L230 WeakPolarHBondContact CB-O 3.36Å; S120-L230 PolarHBondContact OG-O 3.07Å; S120-W231 PolarHBondContact N-O 2.92Å; S120-W231 VanDerWaalsContact OG-C 3.23Å; S120-W231 PolarHBondContact OG-O 2.87Å; S120-D233 WeakPolarHBondContact OG-CA 3.4Å; S120-D233 PolarHBondContact OG-N 3.27Å
121L97.5Very high97.7Very high24 Ų2429.9 Ų29.913%0.12615%0.15CC..Hα-helixtrans-60.9-46.2173.1-177.464.4000110.9F15 L27 F112 N118 L119 A123 S125F15-L121 HydrophobicContact CE2-CD1 3.45Å; F15-L121 VanDerWaalsContact CE2-CD1 3.45Å; F15-L121 HydrophobicContact CZ-CD1 3.77Å; L27-L121 HydrophobicContact CD1-CD1 3.52Å; L27-L121 HydrophobicContact CD1-CG 4.28Å; L27-L121 HydrophobicContact CD2-CD1 4.4Å; F112-L121 HydrophobicContact CB-CD2 3.81Å; F112-L121 HydrophobicContact CD1-CD2 3.48Å; F112-L121 VanDerWaalsContact CD1-CD2 3.48Å; F112-L121 HydrophobicContact CD1-CG 3.75Å; F112-L121 HydrophobicContact CD2-CD2 3.97Å; F112-L121 HydrophobicContact CD2-CG 4.49Å; F112-L121 HydrophobicContact CE1-CD2 4.01Å; F112-L121 HydrophobicContact CE1-CG 3.76Å; F112-L121 HydrophobicContact CE2-CD2 4.49Å; F112-L121 HydrophobicContact CG-CD2 3.47Å; F112-L121 VanDerWaalsContact CG-CD2 3.47Å; F112-L121 HydrophobicContact CG-CG 4.15Å; F112-L121 HydrophobicContact CZ-CG 4.22Å; N118-L121 HydrophobicContact CB-CB 4.4Å; N118-L121 WeakPolarHBondContact O-CB 3.28Å; N118-L121 PolarHBondContact O-N 3.28Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 2.93Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 3.34Å; L121-S125 VanDerWaalsContact O-CB 3.26Å; L121-S125 WeakPolarHBondContact O-CB 3.31Å; L121-S125 PolarHBondContact O-N 2.86Å; L121-S125 PolarHBondContact O-OG 3.07Å
122K98.4Very high97.7Very high4 Ų433 Ų332%0.01716%0.161CC..Hα-helixtrans-59.7-39.2173.8-169.7-175-64.8-175.80111.8T52 A83 F110 F112 D114 N118 L119 S125 W126T52-K122 PolarHBondContact O-NZ 3.07Å; A83-K122 HydrophobicContact CB-CD 4.37Å; A83-K122 HydrophobicContact CB-CG 4.38Å; F110-K122 HydrophobicContact CD2-CG 4.44Å; F110-K122 HydrophobicContact CE2-CG 4.29Å; F112-K122 HydrophobicContact CE2-CB 4.03Å; F112-K122 HydrophobicContact CZ-CB 3.84Å; F112-K122 HydrophobicContact CZ-CG 4.25Å; D114-K122 WeakPolarHBondContact OD1-CE 3.34Å; D114-K122 IonicContact OD1-NZ 3.71Å; D114-K122 PolarHBondContact OD1-NZ 3.23Å; D114-K122 WeakPolarHBondContact OD2-CE 3.36Å; D114-K122 IonicContact OD2-NZ 3.07Å; D114-K122 PolarHBondContact OD2-NZ 3.47Å; N118-K122 PolarHBondContact O-N 3.44Å; L119-K122 CarbonylContact O-C 3.51Å; L119-K122 WeakPolarHBondContact O-CB 3.48Å; L119-K122 PolarHBondContact O-N 3.4Å; K122-S125 PolarHBondContact O-N 3.22Å; K122-W126 PolarHBondContact O-N 3.46Å
123A98.6Very high97.8Very high0 Ų033.4 Ų33.40%016%0.162CC..Hα-helixtrans-67.8-50-17900000113.2L119 S120 L121 S125 W126 L127 D233 I237L119-A123 WeakPolarHBondContact O-CB 3.45Å; L119-A123 PolarHBondContact O-N 2.98Å; S120-A123 PolarHBondContact O-N 2.98Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 3.34Å; A123-S125 PolarHBondContact O-N 3.35Å; A123-W126 VanDerWaalsContact CA-CD1 3.45Å; A123-W126 VanDerWaalsContact CA-NE1 3.31Å; A123-W126 PolarHBondContact O-N 2.82Å; A123-L127 WeakPolarHBondContact O-CG 3.48Å; A123-L127 PolarHBondContact O-N 3.47Å; A123-D233 HydrophobicContact CB-CB 4.36Å; A123-I237 HydrophobicContact CB-CD1 3.81Å; A123-I237 HydrophobicContact CB-CG1 3.61Å
124V98.4Very high97.8Very high2 Ų230.4 Ų30.41%0.01214%0.144CC..Hα-helixtrans-59.3-35.1173.3173.20000111.5V13 F15 S120 L127 N128 L221 V224 Y236 I237V13-V124 HydrophobicContact CG1-CG1 3.89Å; V13-V124 HydrophobicContact CG2-CG1 4.3Å; F15-V124 HydrophobicContact CE1-CG2 4.04Å; F15-V124 HydrophobicContact CZ-CB 4.29Å; F15-V124 HydrophobicContact CZ-CG1 4.42Å; F15-V124 HydrophobicContact CZ-CG2 4.24Å; S120-V124 WeakPolarHBondContact O-CG2 3.34Å; S120-V124 PolarHBondContact O-N 3.43Å; V124-L127 PolarHBondContact O-N 3.24Å; V124-N128 PolarHBondContact O-N 3.16Å; V124-N128 PolarHBondContact O-ND2 3.37Å; V124-L221 HydrophobicContact CG1-CD2 4.26Å; V124-V224 HydrophobicContact CG1-CG2 4.21Å; V124-V224 HydrophobicContact CG2-CG2 3.97Å; V124-Y236 HydrophobicContact CG2-CE1 4.15Å; V124-I237 HydrophobicContact CG2-CD1 3.88Å
125S98.4Very high97.7Very high0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-69.6-42.1-179.3-60.80000113.1L27 F110 L121 K122 A123 N128 W129L27-S125 WeakPolarHBondContact CD1-OG 3.35Å; F110-S125 VanDerWaalsContact CD1-CB 3.44Å; L121-S125 VanDerWaalsContact O-CB 3.26Å; L121-S125 WeakPolarHBondContact O-CB 3.31Å; L121-S125 PolarHBondContact O-N 2.86Å; L121-S125 PolarHBondContact O-OG 3.07Å; K122-S125 PolarHBondContact O-N 3.22Å; A123-S125 PolarHBondContact O-N 3.35Å; S125-N128 PolarHBondContact O-N 3.43Å; S125-W129 PolarHBondContact O-N 2.94Å
126W98.4Very high97.6Very high1 Ų135.2 Ų35.20%0.00417%0.172CC..Hα-helixtrans-73.1-29.117472.8-114.3000112.3I49 H51 F110 K122 A123 N128 W129 A130 I140 K142 Y210 L212I49-W126 HydrophobicContact CD1-CB 4.31Å; I49-W126 HydrophobicContact CD1-CD2 3.74Å; I49-W126 HydrophobicContact CD1-CE3 3.18Å; I49-W126 HydrophobicContact CD1-CG 4.21Å; I49-W126 HydrophobicContact CD1-CZ3 3.82Å; I49-W126 HydrophobicContact CG1-CE3 4.46Å; I49-W126 HydrophobicContact CG2-CB 4.01Å; I49-W126 HydrophobicContact CG2-CD2 3.86Å; I49-W126 HydrophobicContact CG2-CE3 4.4Å; I49-W126 HydrophobicContact CG2-CG 3.66Å; H51-W126 AromaticContact CD2-CD1 3.87Å; H51-W126 AromaticContact CD2-NE1 3.83Å; H51-W126 AromaticContact CE1-NE1 3.98Å; H51-W126 AromaticContact NE2-CD1 3.13Å; H51-W126 AromaticContact NE2-NE1 3.01Å; H51-W126 PolarHBondContact NE2-NE1 2.82Å; F110-W126 HydrophobicContact CZ-CB 4.09Å; K122-W126 PolarHBondContact O-N 3.46Å; A123-W126 VanDerWaalsContact CA-CD1 3.45Å; A123-W126 VanDerWaalsContact CA-NE1 3.31Å; A123-W126 PolarHBondContact O-N 2.82Å; W126-N128 VanDerWaalsContact C-N 3.34Å; W126-W129 WeakPolarHBondContact O-CB 3.47Å; W126-W129 PolarHBondContact O-N 2.93Å; W126-A130 WeakPolarHBondContact O-CB 3.48Å; W126-A130 PolarHBondContact O-N 3.03Å; W126-I140 HydrophobicContact CE3-CG2 4.43Å; W126-I140 HydrophobicContact CH2-CG2 4.14Å; W126-I140 HydrophobicContact CZ3-CD1 3.78Å; W126-I140 HydrophobicContact CZ3-CG2 3.73Å; W126-K142 HydrophobicContact CZ2-CB 4.37Å; W126-K142 HydrophobicContact CZ2-CG 4.24Å; W126-Y210 HydrophobicContact CH2-CE2 4.44Å; W126-Y210 HydrophobicContact CZ2-CE2 4.25Å; W126-L212 HydrophobicContact CH2-CD1 4.42Å; W126-L212 HydrophobicContact CH2-CD2 3.95Å
127L98.6Very high97.8Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-60.5-46.3172.2-78.6165.9000110.5A123 V124 W129 A130 A131 L212 V217 L220 L221 I237A123-L127 WeakPolarHBondContact O-CG 3.48Å; A123-L127 PolarHBondContact O-N 3.47Å; V124-L127 PolarHBondContact O-N 3.24Å; L127-W129 VanDerWaalsContact C-N 3.33Å; L127-W129 PolarHBondContact O-N 3.35Å; L127-A130 PolarHBondContact O-N 2.83Å; L127-A131 WeakPolarHBondContact O-CB 3.39Å; L127-A131 PolarHBondContact O-N 2.87Å; L127-L212 HydrophobicContact CD2-CD1 4.08Å; L127-V217 HydrophobicContact CB-CG1 4.31Å; L127-V217 HydrophobicContact CD2-CB 4.37Å; L127-V217 HydrophobicContact CD2-CG1 3.91Å; L127-V217 HydrophobicContact CD2-CG2 4.04Å; L127-V217 WeakPolarHBondContact O-CG1 3.37Å; L127-L220 HydrophobicContact CD2-CD1 4.47Å; L127-L221 HydrophobicContact CB-CD2 3.73Å; L127-L221 HydrophobicContact CB-CG 4.2Å; L127-I237 HydrophobicContact CD1-CD1 4.23Å; L127-I237 HydrophobicContact CD1-CG2 4.2Å
128N97.9Very high97.8Very high36 Ų3627.9 Ų27.919%0.19315%0.146CC..Hα-helixtrans-58.9-44.5172.6-86.2-72.8000111.8F11 V124 S125 W126 A131 K132 L221F11-N128 HydrophobicContact CD2-CB 3.86Å; F11-N128 HydrophobicContact CE2-CB 4.04Å; V124-N128 PolarHBondContact O-N 3.16Å; V124-N128 PolarHBondContact O-ND2 3.37Å; S125-N128 PolarHBondContact O-N 3.43Å; W126-N128 VanDerWaalsContact C-N 3.34Å; N128-A131 PolarHBondContact O-N 2.81Å; N128-K132 WeakPolarHBondContact O-CB 3.42Å; N128-K132 PolarHBondContact O-N 3.44Å; N128-L221 VanDerWaalsContact ND2-CD2 3.34Å; N128-L221 WeakPolarHBondContact ND2-CD2 3.1Å
129W98.4Very high97.8Very high1 Ų126.2 Ų26.20%0.00414%0.136CC..Hα-helixtrans-60.2-46.8177.4178.987.4000111.9Y29 F36 I47 I81 V108 S125 W126 L127 K132 Y133 C134Y29-W129 HydrophobicContact CE1-CB 3.85Å; Y29-W129 AromaticContact CE1-CD1 3.86Å; Y29-W129 HydrophobicContact CE1-CG 4.25Å; Y29-W129 WeakPolarHBondContact OH-CA 3.38Å; Y29-W129 PolarHBondContact OH-N 3.31Å; F36-W129 HydrophobicContact CB-CZ2 4.19Å; F36-W129 AromaticContact CD1-CH2 4Å; F36-W129 HydrophobicContact CD1-CH2 4Å; F36-W129 HydrophobicContact CD1-CZ2 4.21Å; F36-W129 HydrophobicContact CE1-CH2 4.47Å; F36-W129 HydrophobicContact CG-CZ2 4.27Å; I47-W129 HydrophobicContact CD1-CH2 4.2Å; I47-W129 HydrophobicContact CD1-CZ3 4.34Å; I47-W129 HydrophobicContact CG1-CH2 4.28Å; I47-W129 HydrophobicContact CG1-CZ3 3.93Å; I81-W129 HydrophobicContact CB-CH2 4.41Å; I81-W129 HydrophobicContact CG1-CE3 4.4Å; I81-W129 HydrophobicContact CG1-CH2 3.9Å; I81-W129 HydrophobicContact CG1-CZ3 3.8Å; I81-W129 HydrophobicContact CG2-CH2 3.67Å; I81-W129 HydrophobicContact CG2-CZ2 4.04Å; I81-W129 HydrophobicContact CG2-CZ3 4.43Å; V108-W129 HydrophobicContact CG1-CG 4.13Å; V108-W129 HydrophobicContact CG2-CD2 4.08Å; V108-W129 HydrophobicContact CG2-CG 4.32Å; V108-W129 HydrophobicContact CG2-CZ2 4Å; S125-W129 PolarHBondContact O-N 2.94Å; W126-W129 WeakPolarHBondContact O-CB 3.47Å; W126-W129 PolarHBondContact O-N 2.93Å; L127-W129 VanDerWaalsContact C-N 3.33Å; L127-W129 PolarHBondContact O-N 3.35Å; W129-K132 PolarHBondContact O-N 3.28Å; W129-Y133 AromaticContact CD1-CD2 3.32Å; W129-Y133 AromaticContact CD1-CE2 3.82Å; W129-Y133 AromaticContact CG-CD2 3.91Å; W129-Y133 HydrophobicContact CG-CD2 3.91Å; W129-Y133 AromaticContact NE1-CD2 3.57Å; W129-Y133 WeakPolarHBondContact O-CD2 3.47Å; W129-Y133 PolarHBondContact O-N 2.59Å; W129-C134 WeakPolarHBondContact CH2-SG 3.43Å; W129-C134 HydrophobicContact CZ3-CB 4.49Å
130A98.5Very high97.8Very high0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-64.6-43.8-178.800000111.3I49 W126 L127 K132 C134 I140 M214I49-A130 HydrophobicContact CD1-CB 4.34Å; W126-A130 WeakPolarHBondContact O-CB 3.48Å; W126-A130 PolarHBondContact O-N 3.03Å; L127-A130 PolarHBondContact O-N 2.83Å; A130-K132 VanDerWaalsContact C-N 3.29Å; A130-K132 PolarHBondContact O-N 3.25Å; A130-C134 CarbonylContact O-C 3.56Å; A130-C134 WeakPolarHBondContact O-CA 3.42Å; A130-C134 PolarHBondContact O-N 2.8Å; A130-I140 HydrophobicContact CB-CD1 3.56Å; A130-M214 HydrophobicContact CB-CE 4.41Å
131A97.9Very high97.9Very high30 Ų3025.3 Ų25.325%0.24813%0.131CC..Hα-helixtrans-59.4-40.3175.500000112.3L127 N128 V217 L221L127-A131 WeakPolarHBondContact O-CB 3.39Å; L127-A131 PolarHBondContact O-N 2.87Å; N128-A131 PolarHBondContact O-N 2.81Å; A131-V217 HydrophobicContact CB-CG1 3.89Å; A131-L221 HydrophobicContact CB-CD1 3.98Å
132K97.3Very high97.9Very high116 Ų11624.2 Ų24.250%0.50413%0.126SC..Hα-helixtrans-80.9-47.9-176-177169.5178179.80113.4N128 W129 A130N128-K132 WeakPolarHBondContact O-CB 3.42Å; N128-K132 PolarHBondContact O-N 3.44Å; W129-K132 PolarHBondContact O-N 3.28Å; A130-K132 VanDerWaalsContact C-N 3.29Å; A130-K132 PolarHBondContact O-N 3.25Å
133Y97.9Very high97.9Very high24 Ų2424 Ų249%0.09413%0.125CC..Hα-helixtrans-105.2-16.4-167.6-60.1-73.3000113.8Y29 I32 E34 C37 W129 P135Y29-Y133 HydrophobicContact CD2-CE2 4.43Å; Y29-Y133 AromaticContact CE2-CE2 3.9Å; Y29-Y133 HydrophobicContact CE2-CE2 3.9Å; I32-Y133 HydrophobicContact CD1-CD2 3.84Å; I32-Y133 HydrophobicContact CD1-CE1 4.3Å; I32-Y133 HydrophobicContact CD1-CE2 3.31Å; E34-Y133 HydrophobicContact CB-CD1 4.15Å; E34-Y133 HydrophobicContact CB-CE1 3.78Å; E34-Y133 HydrophobicContact CG-CE1 3.76Å; E34-Y133 WeakPolarHBondContact O-CD1 3.26Å; C37-Y133 VanDerWaalsContact CB-O 3.31Å; C37-Y133 WeakPolarHBondContact CB-O 3.48Å; W129-Y133 AromaticContact CD1-CD2 3.32Å; W129-Y133 AromaticContact CD1-CE2 3.82Å; W129-Y133 AromaticContact CG-CD2 3.91Å; W129-Y133 HydrophobicContact CG-CD2 3.91Å; W129-Y133 AromaticContact NE1-CD2 3.57Å; W129-Y133 WeakPolarHBondContact O-CD2 3.47Å; W129-Y133 PolarHBondContact O-N 2.59Å; Y133-P135 VanDerWaalsContact C-CD 3.44Å
134C98.3Very high97.9Very high0 Ų026 Ų260%014%0.136CC..  trans-13343.4179.7-64.30000113.8C37 W129 A130 N136 A137 M214C37-C134 HydrophobicContact CB-CB 3.77Å; C37-C134 WeakPolarHBondContact CB-SG 3.29Å; C37-C134 WeakPolarHBondContact SG-CB 3.41Å; C37-C134 CovalentContact SG-SG 2.03Å; C37-C134 PolarHBondContact SG-SG 3.27Å; W129-C134 WeakPolarHBondContact CH2-SG 3.43Å; W129-C134 HydrophobicContact CZ3-CB 4.49Å; A130-C134 CarbonylContact O-C 3.56Å; A130-C134 WeakPolarHBondContact O-CA 3.42Å; A130-C134 PolarHBondContact O-N 2.8Å; C134-N136 PolarHBondContact O-N 2.8Å; C134-N136 VanDerWaalsContact O-N 3.08Å; C134-A137 PolarHBondContact O-N 3.46Å; C134-M214 VanDerWaalsContact O-CE 3.27Å; C134-M214 WeakPolarHBondContact O-CE 3.46Å
135P97Very high97.8Very high72 Ų7226.4 Ų26.447%0.46814%0.137SC..THydrogen-bonded Turntrans-63.8-20.1-174.928.1-36.6000113.9Y133Y133-P135 VanDerWaalsContact C-CD 3.44Å
136N95.5Very high97.6Very high118 Ų11827.4 Ų27.463%0.63114%0.143SC*.THydrogen-bonded Turntrans-84.2-12.9-177.4-64.9-24.4000113.9C134C134-N136 PolarHBondContact O-N 2.8Å; C134-N136 VanDerWaalsContact O-N 3.08Å
137A97.2Very high97.4Very high3 Ų327.4 Ų27.43%0.02514%0.143CC..  trans-63144.1174.900000109.6I44 I47 C134 M214I44-A137 HydrophobicContact CG1-CB 4.33Å; I44-A137 HydrophobicContact CG2-CB 3.88Å; I47-A137 HydrophobicContact CB-CB 4.44Å; I47-A137 HydrophobicContact CG2-CB 4.02Å; C134-A137 PolarHBondContact O-N 3.46Å; A137-M214 HydrophobicContact CB-CE 3.76Å; A137-M214 WeakPolarHBondContact O-CB 3.49Å; A137-M214 WeakPolarHBondContact O-CG 3.44Å
138K96.5Very high97.1Very high88 Ų8827.9 Ų27.938%0.38315%0.145SC..SBendtrans-84.9-37.8178.8-62.4-61-172.8-177.40111.5F45 M214F45-K138 HydrophobicContact CD2-CB 3.72Å; F45-K138 HydrophobicContact CD2-CG 3.58Å; F45-K138 HydrophobicContact CE2-CB 3.65Å; F45-K138 HydrophobicContact CE2-CG 3.71Å; F45-K138 PolarHBondContact O-N 3.04Å; K138-M214 PolarHBondContact O-N 2.99Å
139Y97.6Very high96.9Very high9 Ų926.1 Ų26.14%0.03514%0.136CC..EExtended strand (participates in β ladder)trans-131.1148.8-179.5-57.8-85.8000111.4F45 V46 I47 F158 R161 E162 Y172 L212 T213F45-Y139 HydrophobicContact CE1-CD2 4.49Å; F45-Y139 AromaticContact CE2-CD2 3.96Å; F45-Y139 HydrophobicContact CE2-CD2 3.96Å; F45-Y139 AromaticContact CE2-CE2 3.84Å; F45-Y139 HydrophobicContact CE2-CE2 3.84Å; F45-Y139 AromaticContact CZ-CD2 3.86Å; F45-Y139 HydrophobicContact CZ-CD2 3.86Å; F45-Y139 AromaticContact CZ-CE2 3.67Å; F45-Y139 HydrophobicContact CZ-CE2 3.67Å; F45-Y139 PolarHBondContact O-N 3.3Å; V46-Y139 WeakPolarHBondContact CA-O 3.38Å; I47-Y139 PolarHBondContact N-O 3.2Å; Y139-F158 AromaticContact CD1-CD1 3.76Å; Y139-F158 HydrophobicContact CD1-CD1 3.76Å; Y139-F158 AromaticContact CD1-CE1 4Å; Y139-F158 HydrophobicContact CD1-CE1 4Å; Y139-F158 HydrophobicContact CD2-CB 3.89Å; Y139-F158 AromaticContact CD2-CD1 3.96Å; Y139-F158 HydrophobicContact CD2-CD1 3.96Å; Y139-F158 AromaticContact CD2-CG 3.96Å; Y139-F158 HydrophobicContact CD2-CG 3.96Å; Y139-F158 HydrophobicContact CE1-CD1 4.08Å; Y139-F158 HydrophobicContact CE2-CB 3.91Å; Y139-F158 HydrophobicContact CE2-CD1 4.28Å; Y139-F158 HydrophobicContact CE2-CG 4.35Å; Y139-F158 HydrophobicContact CG-CB 4.49Å; Y139-F158 AromaticContact CG-CD1 3.69Å; Y139-F158 HydrophobicContact CG-CD1 3.69Å; Y139-F158 HydrophobicContact CG-CE1 4.03Å; Y139-F158 HydrophobicContact CG-CG 4.08Å; Y139-R161 WeakPolarHBondContact OH-CB 3.24Å; Y139-E162 HydrophobicContact CE2-CB 4.41Å; Y139-E162 PolarHBondContact OH-N 3.3Å; Y139-E162 VanDerWaalsContact OH-N 3.15Å; Y139-Y172 HydrophobicContact CD1-CE2 4.41Å; Y139-Y172 AromaticContact CE1-CE2 3.97Å; Y139-Y172 HydrophobicContact CE1-CE2 3.97Å; Y139-L212 CarbonylContact C-O 3.51Å; Y139-L212 WeakPolarHBondContact CA-O 3.42Å; Y139-T213 HydrophobicContact CD1-CG2 4.21Å; Y139-T213 HydrophobicContact CE1-CG2 3.89Å
140I98.5Very high96.7Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-108.2135.3164.7-56.3-177.6000107.3I47 I49 W126 A130 S211 L212 M214 V217I47-I140 HydrophobicContact CG2-CB 4.21Å; I47-I140 HydrophobicContact CG2-CG1 3.67Å; I47-I140 HydrophobicContact CG2-CG2 4.35Å; I47-I140 WeakPolarHBondContact O-CA 3.38Å; I49-I140 HydrophobicContact CB-CG2 4.49Å; I49-I140 HydrophobicContact CD1-CG2 3.63Å; I49-I140 HydrophobicContact CG1-CG2 4.02Å; W126-I140 HydrophobicContact CE3-CG2 4.43Å; W126-I140 HydrophobicContact CH2-CG2 4.14Å; W126-I140 HydrophobicContact CZ3-CD1 3.78Å; W126-I140 HydrophobicContact CZ3-CG2 3.73Å; A130-I140 HydrophobicContact CB-CD1 3.56Å; I140-S211 CarbonylContact O-C 3.54Å; I140-S211 WeakPolarHBondContact O-CA 3.42Å; I140-L212 HydrophobicContact CB-CD2 3.52Å; I140-L212 HydrophobicContact CB-CG 3.99Å; I140-L212 HydrophobicContact CG2-CD2 3.75Å; I140-L212 PolarHBondContact N-O 3.32Å; I140-L212 PolarHBondContact O-N 3.3Å; I140-M214 HydrophobicContact CD1-CE 3.74Å; I140-M214 HydrophobicContact CD1-SD 4.07Å; I140-M214 HydrophobicContact CG1-CE 3.64Å; I140-M214 HydrophobicContact CG1-SD 4.45Å; I140-V217 HydrophobicContact CD1-CG2 3.56Å
141L98.5Very high96.4Very high3 Ų327.3 Ų27.32%0.01614%0.142CC..EExtended strand (participates in β ladder)trans-114.4101.1172.7171.760.4000108.7V46 I47 A48 I49 V143 V149 I154 F158 S211 F272V46-L141 HydrophobicContact CG1-CB 4.01Å; I47-L141 PolarHBondContact O-N 3.27Å; A48-L141 CarbonylContact C-O 3.46Å; A48-L141 VanDerWaalsContact CA-O 3.27Å; A48-L141 WeakPolarHBondContact CA-O 3.32Å; A48-L141 HydrophobicContact CB-CB 4.49Å; I49-L141 PolarHBondContact N-O 3.25Å; L141-V143 HydrophobicContact CD1-CG2 3.89Å; L141-V143 HydrophobicContact CD2-CG2 4.13Å; L141-V143 HydrophobicContact CG-CG2 3.6Å; L141-V149 HydrophobicContact CD2-CG1 4.36Å; L141-I154 HydrophobicContact CD2-CG1 4.47Å; L141-I154 HydrophobicContact CD2-CG2 4.44Å; L141-F158 HydrophobicContact CB-CZ 4.5Å; L141-S211 VanDerWaalsContact CD1-OG 3.32Å; L141-S211 WeakPolarHBondContact CD1-OG 3.43Å; L141-F272 HydrophobicContact CD1-CE1 3.81Å; L141-F272 HydrophobicContact CD1-CZ 3.76Å
142K98.6Very high96.1Very high1 Ų126.4 Ų26.40%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-80.9131.7172.8-172.9-85.3-162-177.80109.2I49 W126 D144 G207 S209 Y210 D233I49-K142 WeakPolarHBondContact O-CA 3.32Å; W126-K142 HydrophobicContact CZ2-CB 4.37Å; W126-K142 HydrophobicContact CZ2-CG 4.24Å; K142-D144 IonicContact NZ-OD1 3.85Å; K142-D144 PolarHBondContact NZ-OD1 3.05Å; K142-D144 IonicContact NZ-OD2 3Å; K142-G207 PolarHBondContact NZ-O 3.28Å; K142-S209 WeakPolarHBondContact O-CA 3.34Å; K142-S209 WeakPolarHBondContact O-CB 3.37Å; K142-Y210 HydrophobicContact CB-CD1 4.44Å; K142-Y210 HydrophobicContact CB-CD2 3.81Å; K142-Y210 HydrophobicContact CB-CE1 4.15Å; K142-Y210 HydrophobicContact CB-CE2 3.44Å; K142-Y210 VanDerWaalsContact CB-CE2 3.44Å; K142-Y210 HydrophobicContact CB-CG 4.29Å; K142-Y210 HydrophobicContact CD-CD1 4.15Å; K142-Y210 HydrophobicContact CD-CE1 3.6Å; K142-Y210 HydrophobicContact CD-CE2 4.48Å; K142-Y210 HydrophobicContact CG-CE1 3.97Å; K142-Y210 HydrophobicContact CG-CE2 3.95Å; K142-Y210 PolarHBondContact N-O 3.4Å; K142-Y210 PolarHBondContact O-N 3.08Å; K142-D233 IonicContact NZ-OD2 2.77Å
143V98.3Very high95.8Very high0 Ų021.9 Ų21.90%012%0.116CC..EExtended strand (participates in β ladder)trans-142.7139.6-179.6-165.70000110.1I49 V50 H51 W67 L141 M147 V149 G208I49-V143 PolarHBondContact O-N 3.39Å; V50-V143 CarbonylContact C-O 3.59Å; V50-V143 WeakPolarHBondContact CA-O 3Å; H51-V143 PolarHBondContact N-O 3.18Å; W67-V143 HydrophobicContact CH2-CB 4.11Å; W67-V143 HydrophobicContact CH2-CG1 4.32Å; W67-V143 HydrophobicContact CH2-CG2 3.93Å; W67-V143 HydrophobicContact CZ2-CB 4.3Å; W67-V143 HydrophobicContact CZ2-CG1 4.08Å; W67-V143 HydrophobicContact CZ2-CG2 4.49Å; W67-V143 HydrophobicContact CZ3-CG2 4.47Å; L141-V143 HydrophobicContact CD1-CG2 3.89Å; L141-V143 HydrophobicContact CD2-CG2 4.13Å; L141-V143 HydrophobicContact CG-CG2 3.6Å; V143-M147 HydrophobicContact CG1-CB 3.51Å; V143-M147 HydrophobicContact CG1-CG 3.9Å; V143-V149 HydrophobicContact CG1-CG2 3.75Å; V143-V149 HydrophobicContact CG2-CG2 4.17Å; V143-G208 CarbonylContact C-O 3.49Å; V143-G208 WeakPolarHBondContact CA-O 3.45Å
144D97.6Very high95.6Very high43 Ų4320.8 Ų20.823%0.2311%0.111CC..EExtended strand (participates in β ladder)trans-77.3149.5167.8-69.5-13.5000111.2K142 D146 M147 G208K142-D144 IonicContact NZ-OD1 3.85Å; K142-D144 PolarHBondContact NZ-OD1 3.05Å; K142-D144 IonicContact NZ-OD2 3Å; D144-D146 WeakPolarHBondContact CB-OD1 3.28Å; D144-D146 PolarHBondContact O-N 2.74Å; D144-M147 HydrophobicContact CB-CG 4.17Å; D144-M147 WeakPolarHBondContact O-CB 3.36Å; D144-M147 PolarHBondContact O-N 2.81Å; D144-M147 VanDerWaalsContact O-N 3.11Å; D144-G208 PolarHBondContact N-O 3.26Å; D144-G208 WeakPolarHBondContact OD2-CA 3.32Å
145D97.2Very high95.4Very high9 Ų921 Ų215%0.04811%0.112CC..THydrogen-bonded Turntrans-69.82.3-175.473.49.3000115.2V50 H51 T52 N56 R59 I63 R282V50-D145 HydrophobicContact CG1-CB 3.8Å; H51-D145 WeakPolarHBondContact O-CB 3.39Å; H51-D145 PolarHBondContact O-N 2.8Å; T52-D145 VanDerWaalsContact CA-OD2 3.32Å; T52-D145 WeakPolarHBondContact CA-OD2 3.48Å; T52-D145 WeakPolarHBondContact CB-OD2 3.42Å; T52-D145 PolarHBondContact OG1-OD2 3.35Å; N56-D145 WeakPolarHBondContact CB-OD2 3.44Å; N56-D145 PolarHBondContact ND2-OD2 3.1Å; R59-D145 HydrophobicContact CB-CB 4.18Å; R59-D145 WeakPolarHBondContact CD-OD1 3.31Å; R59-D145 WeakPolarHBondContact CD-OD2 3.07Å; R59-D145 IonicContact CZ-OD1 3.81Å; R59-D145 IonicContact NE-OD1 3.01Å; R59-D145 IonicContact NH1-OD1 3.21Å; R59-D145 PolarHBondContact NH1-OD1 2.86Å; I63-D145 HydrophobicContact CD1-CB 4.09Å; D145-R282 PolarHBondContact O-NH1 3.41Å
146D94.7Very high95.1Very high22 Ų2224.6 Ų24.612%0.11812%0.117CC..THydrogen-bonded Turntrans-112.96.8176.470.7-8.3000114.4D144 H274 L275D144-D146 WeakPolarHBondContact CB-OD1 3.28Å; D144-D146 PolarHBondContact O-N 2.74Å; D146-H274 VanDerWaalsContact CG-NE2 3.28Å; D146-H274 IonicContact OD1-CD2 2.98Å; D146-H274 PolarHBondContact OD1-CD2 3.04Å; D146-H274 IonicContact OD1-NE2 2.71Å; D146-H274 PolarHBondContact OD1-NE2 3.48Å; D146-H274 IonicContact OD2-CD2 2.69Å; D146-H274 IonicContact OD2-CE1 3.61Å; D146-H274 IonicContact OD2-NE2 3.63Å; D146-H274 PolarHBondContact OD2-NE2 3.17Å; D146-L275 CarbonylContact O-C 3.47Å; D146-L275 PolarHBondContact O-N 3.4Å; D146-L275 VanDerWaalsContact O-N 3.08Å
147M93.5Very high94.9Very high1 Ų120.5 Ų20.51%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-85.5152.4171.5-62.9-67.6-66.800112.2V143 D144 G208 Y256 F272 V273 H274V143-M147 HydrophobicContact CG1-CB 3.51Å; V143-M147 HydrophobicContact CG1-CG 3.9Å; D144-M147 HydrophobicContact CB-CG 4.17Å; D144-M147 WeakPolarHBondContact O-CB 3.36Å; D144-M147 PolarHBondContact O-N 2.81Å; D144-M147 VanDerWaalsContact O-N 3.11Å; M147-G208 VanDerWaalsContact CG-O 3.24Å; M147-G208 WeakPolarHBondContact CG-O 3.46Å; M147-Y256 HydrophobicContact CE-CE1 4Å; M147-Y256 VanDerWaalsContact CE-OH 3.25Å; M147-Y256 WeakPolarHBondContact CE-OH 3.46Å; M147-F272 HydrophobicContact CE-CB 3.83Å; M147-V273 WeakPolarHBondContact CA-O 3.39Å; M147-H274 HydrophobicContact CE-CB 4.46Å; M147-H274 VanDerWaalsContact SD-CA 3.52Å; M147-H274 HydrophobicContact SD-CB 3.66Å; M147-H274 VanDerWaalsContact SD-CD2 3.59Å
148Y92.2Very high94.7Very high9 Ų920.3 Ų20.34%0.0359%0.092CC..EExtended strand (participates in β ladder)trans-97.5144155.9160.1-84.3000109.5N150 V273 L285 W286 T289Y148-N150 HydrophobicContact CE1-CB 4.09Å; Y148-N150 WeakPolarHBondContact OH-CB 3.32Å; Y148-V273 HydrophobicContact CD1-CB 4.02Å; Y148-V273 HydrophobicContact CD1-CG2 3.76Å; Y148-V273 HydrophobicContact CE1-CG2 4.32Å; Y148-V273 PolarHBondContact N-O 3.49Å; Y148-V273 PolarHBondContact O-N 3.02Å; Y148-V273 VanDerWaalsContact O-N 3.1Å; Y148-L285 HydrophobicContact CD1-CD2 3.49Å; Y148-L285 VanDerWaalsContact CD1-CD2 3.49Å; Y148-L285 HydrophobicContact CD1-CG 4.12Å; Y148-L285 HydrophobicContact CD2-CB 4.08Å; Y148-L285 HydrophobicContact CD2-CD2 3.7Å; Y148-L285 HydrophobicContact CD2-CG 3.69Å; Y148-L285 HydrophobicContact CE1-CD2 3.87Å; Y148-L285 HydrophobicContact CE1-CG 4.08Å; Y148-L285 HydrophobicContact CE2-CB 4.21Å; Y148-L285 HydrophobicContact CE2-CD2 4.04Å; Y148-L285 HydrophobicContact CE2-CG 3.62Å; Y148-L285 HydrophobicContact CG-CD2 3.4Å; Y148-L285 VanDerWaalsContact CG-CD2 3.4Å; Y148-L285 HydrophobicContact CG-CG 3.95Å; Y148-W286 HydrophobicContact CE2-CB 4.47Å; Y148-W286 HydrophobicContact CE2-CE3 4.09Å; Y148-T289 WeakPolarHBondContact OH-CG2 3.25Å; Y148-T289 PolarHBondContact OH-OG1 3.37Å
149V94.3Very high94.5Very high0 Ų021.3 Ų21.30%09%0.093CC..EExtended strand (participates in β ladder)trans-129.3129.7176.2-1750000109.9W67 L141 V143 T151 I154 V271 F272W67-V149 HydrophobicContact CB-CB 4.11Å; W67-V149 WeakPolarHBondContact CB-O 3.27Å; W67-V149 HydrophobicContact CD2-CB 3.72Å; W67-V149 HydrophobicContact CD2-CG2 3.85Å; W67-V149 HydrophobicContact CE3-CB 3.9Å; W67-V149 HydrophobicContact CE3-CG1 4.32Å; W67-V149 HydrophobicContact CE3-CG2 4.05Å; W67-V149 HydrophobicContact CG-CB 3.83Å; W67-V149 HydrophobicContact CG-CG2 4.32Å; W67-V149 HydrophobicContact CH2-CG2 4.36Å; W67-V149 HydrophobicContact CZ2-CG2 4.15Å; W67-V149 HydrophobicContact CZ3-CG2 4.3Å; L141-V149 HydrophobicContact CD2-CG1 4.36Å; V143-V149 HydrophobicContact CG1-CG2 3.75Å; V143-V149 HydrophobicContact CG2-CG2 4.17Å; V149-T151 PolarHBondContact O-N 2.93Å; V149-I154 HydrophobicContact CG1-CG2 4.14Å; V149-V271 CarbonylContact C-O 3.59Å; V149-V271 VanDerWaalsContact CA-O 3.31Å; V149-V271 WeakPolarHBondContact CA-O 3.38Å; V149-F272 HydrophobicContact CG1-CD1 4.25Å; V149-F272 HydrophobicContact CG1-CE1 3.88Å; V149-F272 HydrophobicContact CG2-CD1 4.09Å; V149-F272 HydrophobicContact CG2-CE1 4.18Å
150N92.6Very high94.1Very high24 Ų2427 Ų2713%0.12812%0.118CC..  trans-84.791166.9-173.3-24.9000109.6Y148 F152 S153 I154 V271Y148-N150 HydrophobicContact CE1-CB 4.09Å; Y148-N150 WeakPolarHBondContact OH-CB 3.32Å; N150-F152 VanDerWaalsContact C-N 3.3Å; N150-F152 PolarHBondContact O-N 3.42Å; N150-F152 PolarHBondContact OD1-N 2.93Å; N150-S153 PolarHBondContact ND2-OG 3.34Å; N150-S153 PolarHBondContact O-N 3.29Å; N150-S153 PolarHBondContact OD1-N 2.85Å; N150-S153 PolarHBondContact OD1-OG 3.49Å; N150-I154 PolarHBondContact O-N 3.04Å; N150-I154 VanDerWaalsContact O-N 3.07Å; N150-V271 PolarHBondContact N-O 3.47Å
151T93.7Very high93.8Very high1 Ų130.8 Ų30.81%0.00613%0.132CC..Hα-helixtrans-55.3-42.4-177.3-57.60000112.9W67 F72 F76 L78 V149 S153 I154 M155W67-T151 WeakPolarHBondContact CA-OG1 3.29Å; W67-T151 WeakPolarHBondContact CB-OG1 3.36Å; W67-T151 PolarHBondContact O-OG1 3.46Å; F72-T151 HydrophobicContact CD2-CG2 3.89Å; F72-T151 HydrophobicContact CE2-CG2 4.11Å; F72-T151 HydrophobicContact CG-CG2 4.34Å; F76-T151 HydrophobicContact CD2-CG2 4.25Å; L78-T151 HydrophobicContact CD2-CG2 3.52Å; V149-T151 PolarHBondContact O-N 2.93Å; T151-S153 VanDerWaalsContact C-N 3.33Å; T151-S153 PolarHBondContact O-N 3.25Å; T151-I154 WeakPolarHBondContact O-CG2 3.36Å; T151-I154 PolarHBondContact O-N 3.15Å; T151-M155 HydrophobicContact CG2-CG 3.94Å; T151-M155 VanDerWaalsContact O-CB 3.32Å; T151-M155 WeakPolarHBondContact O-CB 3.34Å; T151-M155 WeakPolarHBondContact O-CG 3.48Å; T151-M155 PolarHBondContact O-N 3.33Å
152F91.8Very high93.2Very high11 Ų1133.4 Ų33.45%0.04814%0.144CC..Hα-helixtrans-60.1-45.9-179.3-52.9-71.6000111.6F72 F76 N150 R156 W286 T289 L290 C293 C298 Y299F72-F152 AromaticContact CE1-CE1 3.99Å; F72-F152 HydrophobicContact CE1-CE1 3.99Å; F72-F152 AromaticContact CE1-CZ 4Å; F72-F152 HydrophobicContact CE1-CZ 4Å; F72-F152 HydrophobicContact CZ-CE1 4.24Å; F72-F152 AromaticContact CZ-CZ 3.86Å; F72-F152 HydrophobicContact CZ-CZ 3.86Å; F76-F152 AromaticContact CE2-CD1 3.9Å; F76-F152 HydrophobicContact CE2-CD1 3.9Å; F76-F152 AromaticContact CE2-CE1 3.92Å; F76-F152 HydrophobicContact CE2-CE1 3.92Å; F76-F152 AromaticContact CZ-CD1 3.69Å; F76-F152 HydrophobicContact CZ-CD1 3.69Å; F76-F152 HydrophobicContact CZ-CE1 4.03Å; N150-F152 VanDerWaalsContact C-N 3.3Å; N150-F152 PolarHBondContact O-N 3.42Å; N150-F152 PolarHBondContact OD1-N 2.93Å; F152-R156 WeakPolarHBondContact O-CB 3.45Å; F152-R156 PolarHBondContact O-N 3.26Å; F152-W286 AromaticContact CE2-CH2 3.88Å; F152-W286 HydrophobicContact CE2-CH2 3.88Å; F152-W286 HydrophobicContact CE2-CZ3 4.36Å; F152-W286 HydrophobicContact CZ-CH2 4.28Å; F152-T289 HydrophobicContact CD2-CG2 3.96Å; F152-T289 HydrophobicContact CE2-CG2 4.12Å; F152-L290 HydrophobicContact CE2-CD2 4.13Å; F152-L290 HydrophobicContact CZ-CD2 3.97Å; F152-C293 HydrophobicContact CD2-CB 4.1Å; F152-C293 WeakPolarHBondContact CE1-SG 3.26Å; F152-C293 HydrophobicContact CE2-CB 3.87Å; F152-C293 HydrophobicContact CZ-CB 4.17Å; F152-C293 VanDerWaalsContact CZ-SG 3.53Å; F152-C298 HydrophobicContact CB-CB 3.78Å; F152-C298 HydrophobicContact CD1-CB 4.04Å; F152-C298 HydrophobicContact CG-CB 3.96Å; F152-Y299 HydrophobicContact CE1-CD1 4.16Å; F152-Y299 HydrophobicContact CE1-CD2 4.45Å; F152-Y299 AromaticContact CE1-CE1 3.66Å; F152-Y299 HydrophobicContact CE1-CE1 3.66Å; F152-Y299 AromaticContact CE1-CE2 3.98Å; F152-Y299 HydrophobicContact CE1-CE2 3.98Å; F152-Y299 AromaticContact CE1-CZ 3.55Å; F152-Y299 HydrophobicContact CZ-CE1 4.24Å; F152-Y299 HydrophobicContact CZ-CE2 4.2Å; F152-Y299 AromaticContact CZ-CZ 3.73Å; F152-Y299 WeakPolarHBondContact CZ-OH 3.44Å
153S90.7Very high92.5Very high22 Ų2237.7 Ų37.715%0.15418%0.18CC..Hα-helixtrans-70.6-42-177.8-67.30000112.7N150 T151 R156 F157N150-S153 PolarHBondContact ND2-OG 3.34Å; N150-S153 PolarHBondContact O-N 3.29Å; N150-S153 PolarHBondContact OD1-N 2.85Å; N150-S153 PolarHBondContact OD1-OG 3.49Å; T151-S153 VanDerWaalsContact C-N 3.33Å; T151-S153 PolarHBondContact O-N 3.25Å; S153-R156 PolarHBondContact O-N 2.94Å; S153-F157 PolarHBondContact O-N 3.27Å
154I93Very high91.6Very high1 Ų143.2 Ų43.21%0.00521%0.209CC..Hα-helixtrans-69.1-37.4178.2-166.959.2000111.9L141 V149 N150 T151 F157 F158 V271 F272L141-I154 HydrophobicContact CD2-CG1 4.47Å; L141-I154 HydrophobicContact CD2-CG2 4.44Å; V149-I154 HydrophobicContact CG1-CG2 4.14Å; N150-I154 PolarHBondContact O-N 3.04Å; N150-I154 VanDerWaalsContact O-N 3.07Å; T151-I154 WeakPolarHBondContact O-CG2 3.36Å; T151-I154 PolarHBondContact O-N 3.15Å; I154-F157 HydrophobicContact CD1-CB 4.44Å; I154-F157 HydrophobicContact CD1-CD1 3.99Å; I154-F157 HydrophobicContact CD1-CG 4.48Å; I154-F157 WeakPolarHBondContact O-CB 3.34Å; I154-F157 PolarHBondContact O-N 3.05Å; I154-F158 HydrophobicContact CD1-CE1 4.17Å; I154-F158 HydrophobicContact CD1-CE2 4.09Å; I154-F158 HydrophobicContact CD1-CZ 3.81Å; I154-F158 HydrophobicContact CG1-CD2 4.06Å; I154-F158 HydrophobicContact CG1-CE1 4.44Å; I154-F158 HydrophobicContact CG1-CE2 3.46Å; I154-F158 VanDerWaalsContact CG1-CE2 3.46Å; I154-F158 HydrophobicContact CG1-CZ 3.66Å; I154-F158 VanDerWaalsContact O-CD2 3.27Å; I154-F158 WeakPolarHBondContact O-CD2 3.28Å; I154-F158 WeakPolarHBondContact O-CG 3.39Å; I154-F158 PolarHBondContact O-N 3.41Å; I154-V271 HydrophobicContact CB-CG1 3.65Å; I154-V271 HydrophobicContact CD1-CG1 4.1Å; I154-V271 HydrophobicContact CG1-CG1 4.24Å; I154-F272 HydrophobicContact CD1-CE2 4.08Å; I154-F272 HydrophobicContact CD1-CZ 3.74Å; I154-F272 HydrophobicContact CG1-CZ 4.05Å
155M93.7Very high90.3Very high4 Ų448.8 Ų48.82%0.0223%0.231CC..Hα-helixtrans-66.4-41.2176.5-66.9-50.2-52.800111.3F45 V46 F76 L78 T151 F157 F158 R159F45-M155 HydrophobicContact CD1-CE 3.47Å; F45-M155 VanDerWaalsContact CD1-CE 3.47Å; F45-M155 HydrophobicContact CE1-CE 3.86Å; V46-M155 HydrophobicContact CB-CE 4.2Å; V46-M155 HydrophobicContact CB-SD 4.23Å; V46-M155 HydrophobicContact CG2-CE 3.44Å; V46-M155 VanDerWaalsContact CG2-CE 3.44Å; V46-M155 HydrophobicContact CG2-SD 3.81Å; F76-M155 HydrophobicContact CB-CB 4.49Å; F76-M155 HydrophobicContact CB-CE 3.83Å; F76-M155 HydrophobicContact CB-CG 3.86Å; F76-M155 HydrophobicContact CB-SD 4.27Å; F76-M155 HydrophobicContact CD1-CB 3.95Å; F76-M155 HydrophobicContact CD1-CG 4.12Å; F76-M155 HydrophobicContact CD2-CG 4.3Å; F76-M155 HydrophobicContact CE1-CB 4.46Å; F76-M155 HydrophobicContact CG-CB 4.2Å; F76-M155 HydrophobicContact CG-CG 3.83Å; F76-M155 VanDerWaalsContact O-CE 3.29Å; F76-M155 WeakPolarHBondContact O-CE 3.2Å; L78-M155 HydrophobicContact CB-SD 4.27Å; L78-M155 HydrophobicContact CD1-SD 4.43Å; L78-M155 HydrophobicContact CD2-SD 4.43Å; T151-M155 HydrophobicContact CG2-CG 3.94Å; T151-M155 VanDerWaalsContact O-CB 3.32Å; T151-M155 WeakPolarHBondContact O-CB 3.34Å; T151-M155 WeakPolarHBondContact O-CG 3.48Å; T151-M155 PolarHBondContact O-N 3.33Å; M155-F157 VanDerWaalsContact C-N 3.29Å; M155-F157 PolarHBondContact O-N 3.29Å; M155-F158 PolarHBondContact O-N 2.74Å; M155-F158 HydrophobicContact SD-CD2 4.18Å; M155-R159 WeakPolarHBondContact O-CG 3.25Å; M155-R159 PolarHBondContact O-N 3.03Å
156R91Very high88.9Confident148 Ų14852.3 Ų52.356%0.55826%0.257SS*.Hα-helixtrans-60.3-40.6172.3-172.3177.671.5157.6-1.7111.7F152 S153 K160F152-R156 WeakPolarHBondContact O-CB 3.45Å; F152-R156 PolarHBondContact O-N 3.26Å; S153-R156 PolarHBondContact O-N 2.94Å; R156-K160 WeakPolarHBondContact O-CG 3.11Å; R156-K160 PolarHBondContact O-N 3.31Å; R156-K160 VanDerWaalsContact O-N 3.1Å
157F91.5Very high88.2Confident31 Ų3155.7 Ų55.714%0.13628%0.282CS..Hα-helixtrans-59.4-50.3174.9171.7-93.2000111.5S153 I154 M155 R159 K160 R161 Y172 I252S153-F157 PolarHBondContact O-N 3.27Å; I154-F157 HydrophobicContact CD1-CB 4.44Å; I154-F157 HydrophobicContact CD1-CD1 3.99Å; I154-F157 HydrophobicContact CD1-CG 4.48Å; I154-F157 WeakPolarHBondContact O-CB 3.34Å; I154-F157 PolarHBondContact O-N 3.05Å; M155-F157 VanDerWaalsContact C-N 3.29Å; M155-F157 PolarHBondContact O-N 3.29Å; F157-R159 PolarHBondContact O-N 3.47Å; F157-K160 PolarHBondContact O-N 3.32Å; F157-R161 HydrophobicContact CD1-CG 4.25Å; F157-R161 HydrophobicContact CD2-CG 4.48Å; F157-R161 HydrophobicContact CE1-CG 3.82Å; F157-R161 HydrophobicContact CE2-CG 4.1Å; F157-R161 HydrophobicContact CZ-CG 3.75Å; F157-R161 WeakPolarHBondContact O-CG 3.49Å; F157-R161 PolarHBondContact O-N 3.21Å; F157-Y172 AromaticContact CE1-CD1 3.86Å; F157-Y172 HydrophobicContact CE1-CD1 3.86Å; F157-Y172 HydrophobicContact CE1-CD2 4.14Å; F157-Y172 HydrophobicContact CE1-CE1 4.33Å; F157-Y172 AromaticContact CE1-CG 3.72Å; F157-Y172 HydrophobicContact CE1-CG 3.72Å; F157-Y172 AromaticContact CZ-CD1 3.43Å; F157-Y172 HydrophobicContact CZ-CD1 3.43Å; F157-Y172 VanDerWaalsContact CZ-CD1 3.43Å; F157-Y172 AromaticContact CZ-CE1 3.92Å; F157-Y172 HydrophobicContact CZ-CE1 3.92Å; F157-Y172 AromaticContact CZ-CG 3.76Å; F157-Y172 HydrophobicContact CZ-CG 3.76Å; F157-I252 HydrophobicContact CE2-CG2 3.84Å; F157-I252 HydrophobicContact CZ-CG2 3.82Å
158F93.1Very high88.1Confident0 Ų057.9 Ų57.90%029%0.294CS..Hα-helixtrans-62.5-39.7179.6-67-43.4000113.3F45 V46 Y139 L141 I154 M155 R161 E162 S211F45-F158 HydrophobicContact CE1-CB 3.75Å; F45-F158 HydrophobicContact CZ-CB 3.92Å; V46-F158 HydrophobicContact CG1-CD2 4.37Å; V46-F158 HydrophobicContact CG1-CE2 3.85Å; V46-F158 HydrophobicContact CG2-CD2 3.54Å; V46-F158 HydrophobicContact CG2-CE2 3.89Å; V46-F158 HydrophobicContact CG2-CG 4.31Å; Y139-F158 AromaticContact CD1-CD1 3.76Å; Y139-F158 HydrophobicContact CD1-CD1 3.76Å; Y139-F158 AromaticContact CD1-CE1 4Å; Y139-F158 HydrophobicContact CD1-CE1 4Å; Y139-F158 HydrophobicContact CD2-CB 3.89Å; Y139-F158 AromaticContact CD2-CD1 3.96Å; Y139-F158 HydrophobicContact CD2-CD1 3.96Å; Y139-F158 AromaticContact CD2-CG 3.96Å; Y139-F158 HydrophobicContact CD2-CG 3.96Å; Y139-F158 HydrophobicContact CE1-CD1 4.08Å; Y139-F158 HydrophobicContact CE2-CB 3.91Å; Y139-F158 HydrophobicContact CE2-CD1 4.28Å; Y139-F158 HydrophobicContact CE2-CG 4.35Å; Y139-F158 HydrophobicContact CG-CB 4.49Å; Y139-F158 AromaticContact CG-CD1 3.69Å; Y139-F158 HydrophobicContact CG-CD1 3.69Å; Y139-F158 HydrophobicContact CG-CE1 4.03Å; Y139-F158 HydrophobicContact CG-CG 4.08Å; L141-F158 HydrophobicContact CB-CZ 4.5Å; I154-F158 HydrophobicContact CD1-CE1 4.17Å; I154-F158 HydrophobicContact CD1-CE2 4.09Å; I154-F158 HydrophobicContact CD1-CZ 3.81Å; I154-F158 HydrophobicContact CG1-CD2 4.06Å; I154-F158 HydrophobicContact CG1-CE1 4.44Å; I154-F158 HydrophobicContact CG1-CE2 3.46Å; I154-F158 VanDerWaalsContact CG1-CE2 3.46Å; I154-F158 HydrophobicContact CG1-CZ 3.66Å; I154-F158 VanDerWaalsContact O-CD2 3.27Å; I154-F158 WeakPolarHBondContact O-CD2 3.28Å; I154-F158 WeakPolarHBondContact O-CG 3.39Å; I154-F158 PolarHBondContact O-N 3.41Å; M155-F158 PolarHBondContact O-N 2.74Å; M155-F158 HydrophobicContact SD-CD2 4.18Å; F158-R161 PolarHBondContact O-N 2.95Å; F158-E162 WeakPolarHBondContact O-CB 3.3Å; F158-E162 PolarHBondContact O-N 2.72Å; F158-S211 VanDerWaalsContact CZ-OG 3.29Å; F158-S211 WeakPolarHBondContact CZ-OG 3.45Å
159R92.1Very high88.3Confident109 Ų10961.9 Ų61.941%0.41131%0.311SS..Hα-helixtrans-63-42.4176-70.2-62.6-175.2-169.22.5112.4F45 M155 F157 R161 E162 A163F45-R159 HydrophobicContact CE1-CG 4.08Å; F45-R159 HydrophobicContact CZ-CG 4.49Å; M155-R159 WeakPolarHBondContact O-CG 3.25Å; M155-R159 PolarHBondContact O-N 3.03Å; F157-R159 PolarHBondContact O-N 3.47Å; R159-R161 VanDerWaalsContact C-N 3.34Å; R159-R161 PolarHBondContact O-N 3.41Å; R159-E162 IonicContact CZ-OE2 3.9Å; R159-E162 IonicContact NH1-OE2 2.73Å; R159-E162 PolarHBondContact NH1-OE2 3.29Å; R159-E162 PolarHBondContact O-N 3.03Å; R159-A163 PolarHBondContact O-N 2.98Å
160K90.6Very high88.4Confident127 Ų12761.9 Ų61.955%0.55231%0.311SS*.Hα-helixtrans-63.1-39.5173.6-72.8-176.8177.2-170.20112R156 F157 L164R156-K160 WeakPolarHBondContact O-CG 3.11Å; R156-K160 PolarHBondContact O-N 3.31Å; R156-K160 VanDerWaalsContact O-N 3.1Å; F157-K160 PolarHBondContact O-N 3.32Å; K160-L164 WeakPolarHBondContact O-CG 3.48Å
161R90.2Very high88.6Confident80 Ų8060.7 Ų60.730%0.30231%0.305SS..Hα-helixtrans-69-41.2177.8-68.8-60.2-177.2-173.52.2112.7Y139 F157 F158 R159 A163 L164 K165 Y172Y139-R161 WeakPolarHBondContact OH-CB 3.24Å; F157-R161 HydrophobicContact CD1-CG 4.25Å; F157-R161 HydrophobicContact CD2-CG 4.48Å; F157-R161 HydrophobicContact CE1-CG 3.82Å; F157-R161 HydrophobicContact CE2-CG 4.1Å; F157-R161 HydrophobicContact CZ-CG 3.75Å; F157-R161 WeakPolarHBondContact O-CG 3.49Å; F157-R161 PolarHBondContact O-N 3.21Å; F158-R161 PolarHBondContact O-N 2.95Å; R159-R161 VanDerWaalsContact C-N 3.34Å; R159-R161 PolarHBondContact O-N 3.41Å; R161-A163 VanDerWaalsContact C-N 3.27Å; R161-A163 PolarHBondContact O-N 3.36Å; R161-L164 PolarHBondContact O-N 2.94Å; R161-K165 PolarHBondContact O-N 3.02Å; R161-Y172 HydrophobicContact CG-CE1 4.19Å
162E87Confident88.7Confident58 Ų5861 Ų6127%0.27131%0.306SS..Hα-helixtrans-56.9-42.3176.9179.3174.1-14000111.5F45 Y139 F158 R159 L164F45-E162 HydrophobicContact CE2-CB 4.4Å; F45-E162 HydrophobicContact CE2-CG 4.37Å; F45-E162 WeakPolarHBondContact CE2-OE1 3.41Å; F45-E162 WeakPolarHBondContact CE2-OE2 3.16Å; F45-E162 HydrophobicContact CZ-CB 4.29Å; F45-E162 VanDerWaalsContact CZ-OE2 3.29Å; F45-E162 WeakPolarHBondContact CZ-OE2 3.36Å; Y139-E162 HydrophobicContact CE2-CB 4.41Å; Y139-E162 PolarHBondContact OH-N 3.3Å; Y139-E162 VanDerWaalsContact OH-N 3.15Å; F158-E162 WeakPolarHBondContact O-CB 3.3Å; F158-E162 PolarHBondContact O-N 2.72Å; R159-E162 IonicContact CZ-OE2 3.9Å; R159-E162 IonicContact NH1-OE2 2.73Å; R159-E162 PolarHBondContact NH1-OE2 3.29Å; R159-E162 PolarHBondContact O-N 3.03Å; E162-L164 PolarHBondContact O-N 3.27Å
163A83.9Confident88.9Confident91 Ų9160.5 Ų60.575%0.75230%0.304SS*.THydrogen-bonded Turntrans-64.7-21.2176.500000114R159 R161R159-A163 PolarHBondContact O-N 2.98Å; R161-A163 VanDerWaalsContact C-N 3.27Å; R161-A163 PolarHBondContact O-N 3.36Å
164L79.9Confident89.1Confident117 Ų11760.2 Ų60.261%0.61330%0.3SS*.THydrogen-bonded Turntrans-99.1-19.2-170.3-71.9173.6000115.4K160 R161 E162K160-L164 WeakPolarHBondContact O-CG 3.48Å; R161-L164 PolarHBondContact O-N 2.94Å; E162-L164 PolarHBondContact O-N 3.27Å
165K69.6Low89.3Confident159 Ų15960.5 Ų60.569%0.69130%0.302SS*.  trans173.5108172.6-98.2151.3-164.4-165.80110.9R161 S167R161-K165 PolarHBondContact O-N 3.02Å; K165-S167 VanDerWaalsContact C-N 3.32Å; K165-S167 PolarHBondContact O-N 3.35Å
166S67.8Low89.4Confident84 Ų8463.4 Ų63.459%0.58731%0.313SS*.THydrogen-bonded Turntrans-75.5-11.8-177.767.50000115.2Q215S166-Q215 PolarHBondContact O-NE2 2.04Å
167S80Confident89.7Confident92 Ų9261.3 Ų61.364%0.64331%0.308SS*.THydrogen-bonded Turntrans-105.6-0.5-171.458.20000115.3K165K165-S167 VanDerWaalsContact C-N 3.32Å; K165-S167 PolarHBondContact O-N 3.35Å
168L91.1Very high89.8Confident48 Ų4867.5 Ų67.525%0.25134%0.337SS..  trans-67.3139.1-178.7-17663.8000111.1A170 T213 I250L168-A170 HydrophobicContact CD2-CB 3.79Å; L168-A170 HydrophobicContact CG-CB 3.85Å; L168-T213 WeakPolarHBondContact O-CB 3.48Å; L168-T213 VanDerWaalsContact O-CG2 3.32Å; L168-T213 WeakPolarHBondContact O-CG2 3.46Å; L168-T213 PolarHBondContact O-OG1 3.48Å; L168-T213 VanDerWaalsContact O-OG1 3.12Å; L168-I250 HydrophobicContact CD2-CD1 3.61Å
169K95.9Very high90Very high92 Ų9270.5 Ų70.540%0.435%0.352SS..  trans-100.299.9169.5-61.1170.9-178.2173.30108.3T213 Q215 A216 P219 V247 E248K169-T213 WeakPolarHBondContact CA-OG1 3.32Å; K169-Q215 HydrophobicContact CG-CB 4.19Å; K169-A216 HydrophobicContact CB-CB 4.25Å; K169-P219 HydrophobicContact CD-CG 4Å; K169-V247 HydrophobicContact CB-CG2 4.34Å; K169-E248 PolarHBondContact O-N 3.05Å
170A96.6Very high90.3Very high0 Ų067.2 Ų67.20%035%0.352CS..EExtended strand (participates in β ladder)trans-145.6150.6-175.300000113.4L168 L212 T213 E248 I250L168-A170 HydrophobicContact CD2-CB 3.79Å; L168-A170 HydrophobicContact CG-CB 3.85Å; A170-L212 VanDerWaalsContact O-CA 3.28Å; A170-L212 WeakPolarHBondContact O-CA 3.15Å; A170-T213 PolarHBondContact N-OG1 3.45Å; A170-T213 PolarHBondContact O-N 3.27Å; A170-T213 PolarHBondContact O-OG1 3.43Å; A170-E248 CarbonylContact C-O 3.55Å; A170-E248 WeakPolarHBondContact CA-O 3.21Å; A170-E248 HydrophobicContact CB-CB 4.18Å; A170-I250 HydrophobicContact CB-CD1 3.97Å; A170-I250 HydrophobicContact CB-CG1 4.32Å
171F97.8Very high90.6Very high0 Ų061.8 Ų61.80%033%0.329CS..EExtended strand (participates in β ladder)trans-88.8147155-69.4-82.9000110.8Y210 S211 L212 L220 I237 T238 A242 V247 E248 R249 I250F171-Y210 AromaticContact CD1-CD2 3.86Å; F171-Y210 HydrophobicContact CD1-CD2 3.86Å; F171-Y210 HydrophobicContact CD1-CE2 4.41Å; F171-Y210 HydrophobicContact CD1-CG 4.47Å; F171-Y210 AromaticContact CE1-CD2 3.88Å; F171-Y210 HydrophobicContact CE1-CD2 3.88Å; F171-Y210 AromaticContact CE1-CE2 3.95Å; F171-Y210 HydrophobicContact CE1-CE2 3.95Å; F171-S211 CarbonylContact C-O 3.57Å; F171-S211 WeakPolarHBondContact CA-O 3.47Å; F171-L212 HydrophobicContact CD1-CB 3.72Å; F171-L212 HydrophobicContact CE1-CB 3.81Å; F171-L212 HydrophobicContact CE1-CD1 3.97Å; F171-L212 HydrophobicContact CE1-CD2 4.36Å; F171-L212 HydrophobicContact CE1-CG 4.28Å; F171-L212 HydrophobicContact CG-CB 4.42Å; F171-L212 HydrophobicContact CZ-CD1 4.32Å; F171-L220 HydrophobicContact CE2-CD1 4.07Å; F171-L220 HydrophobicContact CE2-CD2 4.15Å; F171-L220 HydrophobicContact CZ-CD1 3.58Å; F171-L220 HydrophobicContact CZ-CD2 4.21Å; F171-I237 HydrophobicContact CZ-CG2 4.21Å; F171-T238 HydrophobicContact CD1-CG2 4Å; F171-T238 HydrophobicContact CE1-CG2 3.65Å; F171-T238 HydrophobicContact CE2-CG2 4.49Å; F171-T238 HydrophobicContact CZ-CG2 3.92Å; F171-A242 HydrophobicContact CD2-CB 4.27Å; F171-A242 HydrophobicContact CE2-CB 3.81Å; F171-V247 HydrophobicContact CD2-CB 4.49Å; F171-V247 HydrophobicContact CD2-CG1 3.57Å; F171-V247 HydrophobicContact CE2-CB 4.34Å; F171-V247 HydrophobicContact CE2-CG1 3.68Å; F171-E248 PolarHBondContact N-O 2.55Å; F171-R249 HydrophobicContact CB-CG 4.21Å; F171-R249 HydrophobicContact CD2-CG 4.41Å; F171-I250 PolarHBondContact O-N 2.97Å
172Y95.8Very high90.9Very high8 Ų862.1 Ų62.13%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-121.3112.8166.6-55.1-83.1000108.3Y139 F157 R161 S211 T213 I250Y139-Y172 HydrophobicContact CD1-CE2 4.41Å; Y139-Y172 AromaticContact CE1-CE2 3.97Å; Y139-Y172 HydrophobicContact CE1-CE2 3.97Å; F157-Y172 AromaticContact CE1-CD1 3.86Å; F157-Y172 HydrophobicContact CE1-CD1 3.86Å; F157-Y172 HydrophobicContact CE1-CD2 4.14Å; F157-Y172 HydrophobicContact CE1-CE1 4.33Å; F157-Y172 AromaticContact CE1-CG 3.72Å; F157-Y172 HydrophobicContact CE1-CG 3.72Å; F157-Y172 AromaticContact CZ-CD1 3.43Å; F157-Y172 HydrophobicContact CZ-CD1 3.43Å; F157-Y172 VanDerWaalsContact CZ-CD1 3.43Å; F157-Y172 AromaticContact CZ-CE1 3.92Å; F157-Y172 HydrophobicContact CZ-CE1 3.92Å; F157-Y172 AromaticContact CZ-CG 3.76Å; F157-Y172 HydrophobicContact CZ-CG 3.76Å; R161-Y172 HydrophobicContact CG-CE1 4.19Å; Y172-S211 PolarHBondContact N-O 3.49Å; Y172-S211 PolarHBondContact O-N 2.9Å; Y172-T213 HydrophobicContact CE2-CG2 4.1Å; Y172-I250 WeakPolarHBondContact CA-O 3.27Å; Y172-I250 HydrophobicContact CD1-CB 3.66Å; Y172-I250 HydrophobicContact CD1-CD1 4.18Å; Y172-I250 HydrophobicContact CD1-CG1 4.45Å; Y172-I250 HydrophobicContact CD1-CG2 3.78Å; Y172-I250 HydrophobicContact CE1-CB 3.93Å; Y172-I250 HydrophobicContact CE1-CD1 3.52Å; Y172-I250 HydrophobicContact CE1-CG1 4.26Å; Y172-I250 HydrophobicContact CE1-CG2 4Å
173C96.3Very high91.4Very high0 Ų062.1 Ų62.10%033%0.331CS..EExtended strand (participates in β ladder)trans-159.6172.4-173.162.50000113.7V175 C205 I250 I252C173-V175 PolarHBondContact O-N 3.15Å; C173-C205 HydrophobicContact CB-CB 3.37Å; C173-C205 WeakPolarHBondContact CB-SG 3.32Å; C173-C205 WeakPolarHBondContact SG-CA 2.89Å; C173-C205 WeakPolarHBondContact SG-CB 3.22Å; C173-C205 CovalentContact SG-SG 2.02Å; C173-C205 PolarHBondContact SG-SG 3.01Å; C173-I250 PolarHBondContact N-O 3.17Å; C173-I252 VanDerWaalsContact C-CG1 3.46Å; C173-I252 WeakPolarHBondContact O-CG1 3.32Å; C173-I252 PolarHBondContact O-N 3.33Å
174L95.4Very high91.9Very high16 Ų1659.2 Ų59.28%0.08431%0.311CS..EExtended strand (participates in β ladder)trans-69.3114157.3169.460.6000108.3W176 C205 S206 N253 Y256 S258L174-W176 HydrophobicContact CD2-CH2 4.38Å; L174-W176 HydrophobicContact CD2-CZ2 3.93Å; L174-C205 CarbonylContact O-C 3.58Å; L174-C205 WeakPolarHBondContact O-CA 3.2Å; L174-S206 PolarHBondContact O-N 2.75Å; L174-N253 WeakPolarHBondContact CA-OD1 3.4Å; L174-N253 HydrophobicContact CD1-CB 3.83Å; L174-N253 WeakPolarHBondContact CD1-ND2 3.43Å; L174-Y256 HydrophobicContact CB-CD1 4.15Å; L174-Y256 HydrophobicContact CB-CD2 3.65Å; L174-Y256 HydrophobicContact CB-CE2 4.12Å; L174-Y256 HydrophobicContact CB-CG 3.67Å; L174-Y256 HydrophobicContact CD2-CD1 3.71Å; L174-Y256 HydrophobicContact CD2-CE1 4.09Å; L174-Y256 HydrophobicContact CD2-CG 4.07Å; L174-Y256 HydrophobicContact CG-CG 4.45Å; L174-S258 WeakPolarHBondContact CD2-OG 3.47Å
175V96.5Very high92.6Very high6 Ų661.2 Ų61.24%0.03632%0.317CS..EExtended strand (participates in β ladder)trans-92.1122.3-180-1800000110.7C173 K177 R203 Y204 R249 E251 N253C173-V175 PolarHBondContact O-N 3.15Å; V175-K177 HydrophobicContact CG1-CG 4.18Å; V175-R203 HydrophobicContact CG1-CB 4.11Å; V175-Y204 CarbonylContact C-O 3.38Å; V175-Y204 WeakPolarHBondContact CA-O 3.4Å; V175-R249 HydrophobicContact CG2-CB 4Å; V175-E251 HydrophobicContact CB-CG 3.69Å; V175-E251 HydrophobicContact CG2-CB 4.49Å; V175-E251 HydrophobicContact CG2-CG 3.43Å; V175-E251 VanDerWaalsContact CG2-CG 3.43Å; V175-N253 PolarHBondContact N-OD1 2.74Å; V175-N253 VanDerWaalsContact N-OD1 3.12Å
176W95.8Very high93.8Very high65 Ų6563.7 Ų63.725%0.24633%0.328CS..EExtended strand (participates in β ladder)trans-82.2137.6166.6-67.4122.9000110.7L174 M179 R203 Y204L174-W176 HydrophobicContact CD2-CH2 4.38Å; L174-W176 HydrophobicContact CD2-CZ2 3.93Å; W176-M179 HydrophobicContact CB-CG 3.64Å; W176-M179 HydrophobicContact CB-SD 4.38Å; W176-M179 HydrophobicContact CD2-SD 4.32Å; W176-M179 HydrophobicContact CE3-CE 4.4Å; W176-M179 HydrophobicContact CE3-SD 3.84Å; W176-M179 HydrophobicContact CG-CG 4.19Å; W176-R203 WeakPolarHBondContact O-CA 3.43Å; W176-Y204 HydrophobicContact CB-CD1 3.88Å; W176-Y204 HydrophobicContact CB-CE1 3.5Å; W176-Y204 HydrophobicContact CB-CE2 4.41Å; W176-Y204 HydrophobicContact CB-CG 4.49Å; W176-Y204 AromaticContact CD1-CE2 3.7Å; W176-Y204 AromaticContact CD1-CZ 3.68Å; W176-Y204 HydrophobicContact CG-CE1 4.2Å; W176-Y204 HydrophobicContact CG-CE2 4.39Å; W176-Y204 AromaticContact CG-CZ 3.98Å; W176-Y204 PolarHBondContact N-O 2.67Å; W176-Y204 PolarHBondContact O-N 3.11Å
177K96.3Very high95.1Very high105 Ų10563.3 Ų63.346%0.45732%0.319SS..  trans-130.9140179.7-59.2177.1-168.4173.30108.3V175 M179 E251V175-K177 HydrophobicContact CG1-CG 4.18Å; K177-M179 VanDerWaalsContact C-N 3.25Å; K177-M179 PolarHBondContact O-N 2.84Å; K177-E251 WeakPolarHBondContact CE-OE1 3.22Å; K177-E251 IonicContact NZ-OE1 3.4Å; K177-E251 PolarHBondContact NZ-OE1 3.45Å; K177-E251 IonicContact NZ-OE2 3.56Å; K177-E251 PolarHBondContact NZ-OE2 3.45Å
178Q95.2Very high95.7Very high160 Ų16065.2 Ų65.275%0.74832%0.318SS*.SBendtrans56.333.7176.1-51.9-60.677.900114.7G180 V200Q178-G180 PolarHBondContact O-N 2.75Å; Q178-V200 HydrophobicContact CB-CG1 4.47Å
179M97Very high95.9Very high64 Ų6467.3 Ų67.332%0.31532%0.322SS..PPolyproline II helixtrans-76.1126.5177.3-60.7-56.9-6800110.4W176 K177 V200 Y201 Y204W176-M179 HydrophobicContact CB-CG 3.64Å; W176-M179 HydrophobicContact CB-SD 4.38Å; W176-M179 HydrophobicContact CD2-SD 4.32Å; W176-M179 HydrophobicContact CE3-CE 4.4Å; W176-M179 HydrophobicContact CE3-SD 3.84Å; W176-M179 HydrophobicContact CG-CG 4.19Å; K177-M179 VanDerWaalsContact C-N 3.25Å; K177-M179 PolarHBondContact O-N 2.84Å; M179-V200 WeakPolarHBondContact O-CA 3.34Å; M179-Y201 HydrophobicContact CB-CD2 4.4Å; M179-Y201 PolarHBondContact O-N 2.96Å; M179-Y204 HydrophobicContact CB-CE1 3.95Å; M179-Y204 HydrophobicContact CG-CE1 3.76Å
180G97Very high95.9Very high39 Ų3965.2 Ų65.240%0.40231%0.313SS..BIsolated β-bridgetrans-67.5143.1174.500000112.2Q178Q178-G180 PolarHBondContact O-N 2.75Å
181V97.6Very high96Very high13 Ų1365.2 Ų65.28%0.07931%0.313CS..PPolyproline II helixtrans-72.7128.8173.2-177.10000108.9R183 V191 F196 E198 T199 Y201V181-R183 VanDerWaalsContact CG1-CZ 3.46Å; V181-R183 PolarHBondContact O-N 2.88Å; V181-V191 HydrophobicContact CG1-CB 3.79Å; V181-V191 HydrophobicContact CG1-CG1 4.25Å; V181-F196 HydrophobicContact CG1-CD1 4.47Å; V181-F196 HydrophobicContact CG2-CD1 3.64Å; V181-F196 HydrophobicContact CG2-CE1 3.7Å; V181-E198 WeakPolarHBondContact CG2-O 3.16Å; V181-T199 PolarHBondContact N-O 2.99Å; V181-Y201 HydrophobicContact CB-CE1 4.38Å; V181-Y201 HydrophobicContact CB-CE2 4.42Å; V181-Y201 HydrophobicContact CG1-CE1 4.17Å; V181-Y201 HydrophobicContact CG2-CD1 3.77Å; V181-Y201 HydrophobicContact CG2-CD2 4.26Å; V181-Y201 HydrophobicContact CG2-CE1 3.64Å; V181-Y201 HydrophobicContact CG2-CE2 4.14Å; V181-Y201 HydrophobicContact CG2-CG 4.1Å
182Q96.7Very high95.9Very high87 Ų8766 Ų6641%0.40732%0.317SS..PPolyproline II helixtrans-74.1118.9179.9-58.6-59.4-33.600109.9D187 W189 Y190 V191Q182-D187 HydrophobicContact CB-CB 4.29Å; Q182-W189 HydrophobicContact CB-CB 4.42Å; Q182-W189 HydrophobicContact CG-CB 4.15Å; Q182-Y190 WeakPolarHBondContact O-CA 3.33Å; Q182-V191 PolarHBondContact O-N 3.38Å
183R96.4Very high95.8Very high58 Ų5871.6 Ų71.622%0.21934%0.339CS..  trans-109.9-3-176-59-55.3-173174.44.5114.1V181 E185 Y190 V191 P192 F196 E198V181-R183 VanDerWaalsContact CG1-CZ 3.46Å; V181-R183 PolarHBondContact O-N 2.88Å; R183-E185 PolarHBondContact O-N 2.81Å; R183-Y190 VanDerWaalsContact O-CE2 3.25Å; R183-Y190 WeakPolarHBondContact O-CE2 3.19Å; R183-V191 VanDerWaalsContact CD-O 3.27Å; R183-V191 WeakPolarHBondContact CD-O 3.39Å; R183-V191 PolarHBondContact NH1-O 3.4Å; R183-P192 PolarHBondContact NH1-O 2.72Å; R183-F196 VanDerWaalsContact CZ-O 3.31Å; R183-F196 PolarHBondContact NH1-O 3Å; R183-F196 PolarHBondContact NH2-O 3.46Å; R183-E198 PolarHBondContact NH2-O 2.87Å
184G96.3Very high95.7Very high31 Ų3178.8 Ų78.832%0.3237%0.373SS..  trans-76121.517400000110.2K186 D187 Y190G184-K186 PolarHBondContact O-N 2.86Å; G184-D187 VanDerWaalsContact CA-OD2 3.26Å; G184-D187 WeakPolarHBondContact CA-OD2 3.24Å; G184-D187 PolarHBondContact N-OD2 3.01Å; G184-D187 VanDerWaalsContact O-CB 3.28Å; G184-D187 WeakPolarHBondContact O-CB 3.4Å; G184-D187 PolarHBondContact O-N 2.89Å; G184-Y190 WeakPolarHBondContact O-CB 3.34Å; G184-Y190 WeakPolarHBondContact O-CD2 3.42Å
185E93.5Very high95.6Very high159 Ų15981 Ų8174%0.74338%0.383SS*.THydrogen-bonded Turntrans-59-20.8-178.5-67-177.9-175.800114.2R183 Y190R183-E185 PolarHBondContact O-N 2.81Å; E185-Y190 HydrophobicContact CB-CE1 4.48Å; E185-Y190 HydrophobicContact CG-CE1 3.99Å; E185-Y190 HydrophobicContact CG-CE2 4.15Å
186K95Very high95.6Very high210 Ų21080.8 Ų80.891%0.91338%0.381SS*.THydrogen-bonded Turntrans-86.8-10.9176.9-62.6-178.1-178.31770113.1G184G184-K186 PolarHBondContact O-N 2.86Å
187D94.1Very high95.5Very high76 Ų7682.3 Ų82.341%0.40640%0.395SS..SBendtrans-72132177.3-68.7-57.4000109.8Q182 G184 W189 Y190Q182-D187 HydrophobicContact CB-CB 4.29Å; G184-D187 VanDerWaalsContact CA-OD2 3.26Å; G184-D187 WeakPolarHBondContact CA-OD2 3.24Å; G184-D187 PolarHBondContact N-OD2 3.01Å; G184-D187 VanDerWaalsContact O-CB 3.28Å; G184-D187 WeakPolarHBondContact O-CB 3.4Å; G184-D187 PolarHBondContact O-N 2.89Å; D187-W189 PolarHBondContact O-N 2.85Å; D187-Y190 WeakPolarHBondContact O-CB 3.44Å; D187-Y190 PolarHBondContact O-N 3.41Å
188Q93.1Very high95.5Very high132 Ų13282.4 Ų82.462%0.61740%0.396SS*.THydrogen-bonded Turntrans-57.1-24.8176.770.7-174.4-32.100112.6W231Q188-W231 VanDerWaalsContact O-CH2 3.22Å; Q188-W231 WeakPolarHBondContact O-CH2 3.33Å
189W95.3Very high95.6Very high92 Ų9279.2 Ų79.235%0.34839%0.388SS..THydrogen-bonded Turntrans-103.219.1179.6-56.3114.6000112.9Y116 L119 Q182 D187 V191 W231 V232Y116-W189 HydrophobicContact CD1-CH2 4.17Å; Y116-W189 HydrophobicContact CE1-CH2 4.42Å; L119-W189 HydrophobicContact CD1-CH2 4.49Å; L119-W189 HydrophobicContact CD1-CZ3 4.47Å; Q182-W189 HydrophobicContact CB-CB 4.42Å; Q182-W189 HydrophobicContact CG-CB 4.15Å; D187-W189 PolarHBondContact O-N 2.85Å; W189-V191 PolarHBondContact O-N 2.73Å; W189-W231 AromaticContact CE3-CH2 3.6Å; W189-W231 HydrophobicContact CE3-CH2 3.6Å; W189-W231 AromaticContact CE3-CZ3 3.83Å; W189-W231 HydrophobicContact CE3-CZ3 3.83Å; W189-W231 HydrophobicContact CZ3-CH2 4.13Å; W189-W231 AromaticContact CZ3-CZ3 3.89Å; W189-W231 HydrophobicContact CZ3-CZ3 3.89Å; W189-V232 HydrophobicContact CE3-CG1 4.47Å
190Y97Very high95.6Very high49 Ų4978.5 Ų78.519%0.19239%0.387CS..  trans-55.9126.4179173.3-122.8000112.3R117 Q182 R183 G184 E185 D187 P192R117-Y190 PolarHBondContact NH2-O 2.99Å; R117-Y190 VanDerWaalsContact NH2-O 3.09Å; Q182-Y190 WeakPolarHBondContact O-CA 3.33Å; R183-Y190 VanDerWaalsContact O-CE2 3.25Å; R183-Y190 WeakPolarHBondContact O-CE2 3.19Å; G184-Y190 WeakPolarHBondContact O-CB 3.34Å; G184-Y190 WeakPolarHBondContact O-CD2 3.42Å; E185-Y190 HydrophobicContact CB-CE1 4.48Å; E185-Y190 HydrophobicContact CG-CE1 3.99Å; E185-Y190 HydrophobicContact CG-CE2 4.15Å; D187-Y190 WeakPolarHBondContact O-CB 3.44Å; D187-Y190 PolarHBondContact O-N 3.41Å; Y190-P192 HydrophobicContact CE1-CB 4.15Å; Y190-P192 WeakPolarHBondContact OH-CB 3.37Å
191V97.1Very high95.7Very high0 Ų077.2 Ų77.20%037%0.37CS..  trans-124.2120.4172-179.90000108.5V181 Q182 R183 W189 E195 F196 Y201 L230 V232V181-V191 HydrophobicContact CG1-CB 3.79Å; V181-V191 HydrophobicContact CG1-CG1 4.25Å; Q182-V191 PolarHBondContact O-N 3.38Å; R183-V191 VanDerWaalsContact CD-O 3.27Å; R183-V191 WeakPolarHBondContact CD-O 3.39Å; R183-V191 PolarHBondContact NH1-O 3.4Å; W189-V191 PolarHBondContact O-N 2.73Å; V191-E195 HydrophobicContact CG1-CB 3.91Å; V191-F196 HydrophobicContact CG1-CB 3.55Å; V191-Y201 WeakPolarHBondContact CG2-OH 3.33Å; V191-L230 HydrophobicContact CG1-CD1 3.74Å; V191-L230 HydrophobicContact CG2-CD1 4.08Å; V191-V232 HydrophobicContact CG2-CG2 3.78Å
192P95.7Very high95.6Very high15 Ų1577.8 Ų77.810%0.09737%0.374CS..  trans-75.2162.2176.435.3-39000111.4R183 Y190 E194 E195 F196R183-P192 PolarHBondContact NH1-O 2.72Å; Y190-P192 HydrophobicContact CE1-CB 4.15Å; Y190-P192 WeakPolarHBondContact OH-CB 3.37Å; P192-E194 WeakPolarHBondContact CB-OE2 3.45Å; P192-E194 PolarHBondContact O-N 3.44Å; P192-E195 HydrophobicContact CG-CB 3.97Å; P192-E195 HydrophobicContact CG-CG 3.69Å; P192-E195 PolarHBondContact O-N 2.73Å; P192-F196 PolarHBondContact O-N 3.18Å; P192-F196 VanDerWaalsContact O-N 3.14Å
193Y95.2Very high95.7Very high127 Ų12778 Ų7850%0.49837%0.371SS..THydrogen-bonded Turntrans-65-27-176.2-80.9-78.1000112.7E195 F196 N197Y193-E195 VanDerWaalsContact C-N 3.34Å; Y193-F196 WeakPolarHBondContact CA-O 3.19Å; Y193-F196 CarbonylContact O-C 3.54Å; Y193-F196 PolarHBondContact O-N 3.08Å; Y193-N197 WeakPolarHBondContact O-CA 3.13Å; Y193-N197 PolarHBondContact O-N 3.2Å
194E93.4Very high95.7Very high150 Ų15076.3 Ų76.370%0.70137%0.365SS*.THydrogen-bonded Turntrans-67.1-35177.5-6171.5-155.400111.8P192P192-E194 WeakPolarHBondContact CB-OE2 3.45Å; P192-E194 PolarHBondContact O-N 3.44Å
195E93.1Very high95.8Very high64 Ų6474.8 Ų74.830%0.29935%0.35SS..THydrogen-bonded Turntrans-83.2-32.1176.7-72.5179.9-161.700112.2R18 R117 V191 P192 Y193 W231R18-E195 WeakPolarHBondContact CD-O 3.28Å; R18-E195 PolarHBondContact NE-O 3.27Å; R117-E195 IonicContact NH1-OE1 2.74Å; R117-E195 PolarHBondContact NH1-OE1 2.7Å; R117-E195 IonicContact NH1-OE2 3.28Å; R117-E195 PolarHBondContact NH1-OE2 2.82Å; V191-E195 HydrophobicContact CG1-CB 3.91Å; P192-E195 HydrophobicContact CG-CB 3.97Å; P192-E195 HydrophobicContact CG-CG 3.69Å; P192-E195 PolarHBondContact O-N 2.73Å; Y193-E195 VanDerWaalsContact C-N 3.34Å; E195-W231 PolarHBondContact OE2-NE1 3Å
196F95.9Very high95.9Very high0 Ų067.9 Ų67.90%032%0.319CS..  trans-153.6111177.4-163.9-92.7000110V181 R183 V191 P192 Y193 E198 Y201 L230 L240V181-F196 HydrophobicContact CG1-CD1 4.47Å; V181-F196 HydrophobicContact CG2-CD1 3.64Å; V181-F196 HydrophobicContact CG2-CE1 3.7Å; R183-F196 VanDerWaalsContact CZ-O 3.31Å; R183-F196 PolarHBondContact NH1-O 3Å; R183-F196 PolarHBondContact NH2-O 3.46Å; V191-F196 HydrophobicContact CG1-CB 3.55Å; P192-F196 PolarHBondContact O-N 3.18Å; P192-F196 VanDerWaalsContact O-N 3.14Å; Y193-F196 WeakPolarHBondContact CA-O 3.19Å; Y193-F196 CarbonylContact O-C 3.54Å; Y193-F196 PolarHBondContact O-N 3.08Å; F196-E198 HydrophobicContact CD1-CB 4.17Å; F196-E198 WeakPolarHBondContact CD1-O 3.24Å; F196-E198 HydrophobicContact CE1-CB 3.57Å; F196-E198 HydrophobicContact CE1-CG 4.47Å; F196-E198 HydrophobicContact CZ-CB 4.15Å; F196-Y201 HydrophobicContact CD1-CD1 4.26Å; F196-Y201 HydrophobicContact CD1-CE1 4.15Å; F196-Y201 AromaticContact CE1-CD1 3.8Å; F196-Y201 HydrophobicContact CE1-CD1 3.8Å; F196-Y201 HydrophobicContact CE1-CE1 4.16Å; F196-Y201 HydrophobicContact CE2-CD1 4.3Å; F196-Y201 HydrophobicContact CG-CE1 4.33Å; F196-Y201 AromaticContact CZ-CD1 3.86Å; F196-Y201 HydrophobicContact CZ-CD1 3.86Å; F196-Y201 HydrophobicContact CZ-CE1 4.43Å; F196-L230 HydrophobicContact CB-CD1 4.31Å; F196-L230 HydrophobicContact CD2-CD2 4.18Å; F196-L240 HydrophobicContact CE2-CD1 4.18Å; F196-L240 HydrophobicContact CE2-CD2 4.12Å
197N94.5Very high95.8Very high98 Ų9858.3 Ų58.352%0.52428%0.28SS..  trans-84.9-19.6-170.463.5-17.5000114.3R18 Y193R18-N197 PolarHBondContact NH1-OD1 3.39Å; Y193-N197 WeakPolarHBondContact O-CA 3.13Å; Y193-N197 PolarHBondContact O-N 3.2Å
198E96Very high95.9Very high106 Ų10655.1 Ų55.150%0.49527%0.265SS..SBendtrans-77.8156.7177.6-61.6168.5-13000111.7V181 R183 F196V181-E198 WeakPolarHBondContact CG2-O 3.16Å; R183-E198 PolarHBondContact NH2-O 2.87Å; F196-E198 HydrophobicContact CD1-CB 4.17Å; F196-E198 WeakPolarHBondContact CD1-O 3.24Å; F196-E198 HydrophobicContact CE1-CB 3.57Å; F196-E198 HydrophobicContact CE1-CG 4.47Å; F196-E198 HydrophobicContact CZ-CB 4.15Å
199T96.9Very high96Very high94 Ų9448.9 Ų48.958%0.57724%0.236SC*.SBendtrans-88.1-14.3-179.453.20000113.6V181V181-T199 PolarHBondContact N-O 2.99Å
200V98Very high96.1Very high48 Ų4844.5 Ų44.529%0.29122%0.219SC..BIsolated β-bridgetrans-132.1137.4-175.1179.90000109Q178 M179Q178-V200 HydrophobicContact CB-CG1 4.47Å; M179-V200 WeakPolarHBondContact O-CA 3.34Å
201Y98Very high96.2Very high12 Ų1242.1 Ų42.15%0.04721%0.21CC..PPolyproline II helixtrans-74.2149.9173.8-68.4-53.1000111.9M179 V181 V191 F196 Y204 L230 V235M179-Y201 HydrophobicContact CB-CD2 4.4Å; M179-Y201 PolarHBondContact O-N 2.96Å; V181-Y201 HydrophobicContact CB-CE1 4.38Å; V181-Y201 HydrophobicContact CB-CE2 4.42Å; V181-Y201 HydrophobicContact CG1-CE1 4.17Å; V181-Y201 HydrophobicContact CG2-CD1 3.77Å; V181-Y201 HydrophobicContact CG2-CD2 4.26Å; V181-Y201 HydrophobicContact CG2-CE1 3.64Å; V181-Y201 HydrophobicContact CG2-CE2 4.14Å; V181-Y201 HydrophobicContact CG2-CG 4.1Å; V191-Y201 WeakPolarHBondContact CG2-OH 3.33Å; F196-Y201 HydrophobicContact CD1-CD1 4.26Å; F196-Y201 HydrophobicContact CD1-CE1 4.15Å; F196-Y201 AromaticContact CE1-CD1 3.8Å; F196-Y201 HydrophobicContact CE1-CD1 3.8Å; F196-Y201 HydrophobicContact CE1-CE1 4.16Å; F196-Y201 HydrophobicContact CE2-CD1 4.3Å; F196-Y201 HydrophobicContact CG-CE1 4.33Å; F196-Y201 AromaticContact CZ-CD1 3.86Å; F196-Y201 HydrophobicContact CZ-CD1 3.86Å; F196-Y201 HydrophobicContact CZ-CE1 4.43Å; Y201-Y204 HydrophobicContact CD2-CE1 4.49Å; Y201-L230 HydrophobicContact CD1-CD2 4.47Å; Y201-L230 HydrophobicContact CE1-CD2 3.86Å; Y201-V235 HydrophobicContact CD1-CB 4.41Å; Y201-V235 HydrophobicContact CD1-CG1 3.47Å; Y201-V235 VanDerWaalsContact CD1-CG1 3.47Å; Y201-V235 HydrophobicContact CD1-CG2 4.12Å; Y201-V235 HydrophobicContact CD2-CG2 3.92Å; Y201-V235 HydrophobicContact CE1-CG1 3.91Å; Y201-V235 HydrophobicContact CE1-CG2 4.27Å; Y201-V235 HydrophobicContact CE2-CG2 4.07Å; Y201-V235 HydrophobicContact CG-CG1 3.88Å; Y201-V235 HydrophobicContact CG-CG2 3.93Å
202P97.1Very high96.2Very high25 Ų2542.1 Ų42.116%0.16221%0.21CC..PPolyproline II helixtrans-60.5163.5167.330.8-37.9000110.1Y204 L240P202-Y204 VanDerWaalsContact O-CD1 3.29Å; P202-Y204 WeakPolarHBondContact O-CD1 3.18Å; P202-Y204 PolarHBondContact O-N 2.97Å; P202-L240 HydrophobicContact CG-CD2 3.84Å; P202-L240 HydrophobicContact CG-CG 4.37Å
203R97.5Very high96.3Very high92 Ų9241.7 Ų41.735%0.34721%0.207SC..SBendtrans-54.9132.5171.566.6178.5-68.7157.94110.8V175 W176 R249 E251V175-R203 HydrophobicContact CG1-CB 4.11Å; W176-R203 WeakPolarHBondContact O-CA 3.43Å; R203-R249 PolarHBondContact NH2-O 3.36Å; R203-R249 PolarHBondContact O-NH1 2.73Å; R203-E251 IonicContact CZ-OE1 3.58Å; R203-E251 IonicContact NH1-OE1 2.86Å; R203-E251 IonicContact NH2-OE1 3.93Å; R203-E251 PolarHBondContact NH2-OE1 3.4Å
204Y98.1Very high96.4Very high22 Ų2236.6 Ų36.69%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-148.4166.8-177.272.4-73.7000110.2V175 W176 M179 Y201 P202 D234 V235V175-Y204 CarbonylContact C-O 3.38Å; V175-Y204 WeakPolarHBondContact CA-O 3.4Å; W176-Y204 HydrophobicContact CB-CD1 3.88Å; W176-Y204 HydrophobicContact CB-CE1 3.5Å; W176-Y204 HydrophobicContact CB-CE2 4.41Å; W176-Y204 HydrophobicContact CB-CG 4.49Å; W176-Y204 AromaticContact CD1-CE2 3.7Å; W176-Y204 AromaticContact CD1-CZ 3.68Å; W176-Y204 HydrophobicContact CG-CE1 4.2Å; W176-Y204 HydrophobicContact CG-CE2 4.39Å; W176-Y204 AromaticContact CG-CZ 3.98Å; W176-Y204 PolarHBondContact N-O 2.67Å; W176-Y204 PolarHBondContact O-N 3.11Å; M179-Y204 HydrophobicContact CB-CE1 3.95Å; M179-Y204 HydrophobicContact CG-CE1 3.76Å; Y201-Y204 HydrophobicContact CD2-CE1 4.49Å; P202-Y204 VanDerWaalsContact O-CD1 3.29Å; P202-Y204 WeakPolarHBondContact O-CD1 3.18Å; P202-Y204 PolarHBondContact O-N 2.97Å; Y204-D234 HydrophobicContact CD2-CB 4.12Å; Y204-D234 HydrophobicContact CE2-CB 4.36Å; Y204-D234 WeakPolarHBondContact CE2-OD2 3.43Å; Y204-V235 HydrophobicContact CD1-CG2 4.24Å; Y204-V235 HydrophobicContact CD2-CB 4.43Å; Y204-V235 HydrophobicContact CD2-CG2 3.76Å; Y204-V235 HydrophobicContact CE1-CG2 4.15Å; Y204-V235 HydrophobicContact CE2-CG2 3.67Å; Y204-V235 HydrophobicContact CG-CG2 4.06Å
205C97.5Very high96.5Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-83.6149.3176.2-660000111.4C173 L174 G207 Y210 D234 T238C173-C205 HydrophobicContact CB-CB 3.37Å; C173-C205 WeakPolarHBondContact CB-SG 3.32Å; C173-C205 WeakPolarHBondContact SG-CA 2.89Å; C173-C205 WeakPolarHBondContact SG-CB 3.22Å; C173-C205 CovalentContact SG-SG 2.02Å; C173-C205 PolarHBondContact SG-SG 3.01Å; L174-C205 CarbonylContact O-C 3.58Å; L174-C205 WeakPolarHBondContact O-CA 3.2Å; C205-G207 PolarHBondContact O-N 2.96Å; C205-Y210 HydrophobicContact CB-CD1 4.35Å; C205-Y210 HydrophobicContact CB-CG 4.45Å; C205-D234 WeakPolarHBondContact O-CB 3.23Å; C205-T238 HydrophobicContact CB-CG2 3.93Å; C205-T238 WeakPolarHBondContact CB-OG1 3.38Å; C205-T238 PolarHBondContact N-OG1 2.94Å
206S95.2Very high96.7Very high13 Ų1329.8 Ų29.89%0.09116%0.156CC..EExtended strand (participates in β ladder)trans-58.3132.4167.1-179.90000112.1L174 G208L174-S206 PolarHBondContact O-N 2.75Å; S206-G208 VanDerWaalsContact C-N 3.33Å; S206-G208 PolarHBondContact O-N 3.21Å
207G93.8Very high96.8Very high9 Ų929.9 Ų29.99%0.09316%0.157CC..EExtended strand (participates in β ladder)trans-62.3-30.7-178.900000115.7K142 C205 S209 D234K142-G207 PolarHBondContact NZ-O 3.28Å; C205-G207 PolarHBondContact O-N 2.96Å; G207-S209 VanDerWaalsContact C-N 3.33Å; G207-S209 PolarHBondContact O-N 3.43Å; G207-D234 WeakPolarHBondContact CA-OD2 3.33Å; G207-D234 PolarHBondContact N-OD2 3.47Å
208G94.8Very high97Very high10 Ų1030 Ų3010%0.10315%0.154CC..EExtended strand (participates in β ladder)trans-55.2-44.7-176.800000113.5V143 D144 M147 S206 Y256V143-G208 CarbonylContact C-O 3.49Å; V143-G208 WeakPolarHBondContact CA-O 3.45Å; D144-G208 PolarHBondContact N-O 3.26Å; D144-G208 WeakPolarHBondContact OD2-CA 3.32Å; M147-G208 VanDerWaalsContact CG-O 3.24Å; M147-G208 WeakPolarHBondContact CG-O 3.46Å; S206-G208 VanDerWaalsContact C-N 3.33Å; S206-G208 PolarHBondContact O-N 3.21Å; G208-Y256 WeakPolarHBondContact CA-OH 3.4Å
209S96.8Very high97.1Very high0 Ų026.1 Ų26.10%014%0.138CC..EExtended strand (participates in β ladder)trans-156.9147.7168.269.20000112.6K142 G207 Y256 F272K142-S209 WeakPolarHBondContact O-CA 3.34Å; K142-S209 WeakPolarHBondContact O-CB 3.37Å; G207-S209 VanDerWaalsContact C-N 3.33Å; G207-S209 PolarHBondContact O-N 3.43Å; S209-Y256 PolarHBondContact N-OH 2.9Å; S209-Y256 WeakPolarHBondContact O-CE2 3.44Å; S209-Y256 WeakPolarHBondContact OG-CE2 3.39Å; S209-Y256 PolarHBondContact OG-OH 3.34Å; S209-F272 WeakPolarHBondContact OG-CD1 3.36Å; S209-F272 WeakPolarHBondContact OG-CE1 3.41Å; S209-F272 WeakPolarHBondContact OG-CG 3.44Å
210Y97.6Very high97.1Very high0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans-151.6154.5167.353.9-100.2000109.1W126 K142 F171 C205 L212 T238W126-Y210 HydrophobicContact CH2-CE2 4.44Å; W126-Y210 HydrophobicContact CZ2-CE2 4.25Å; K142-Y210 HydrophobicContact CB-CD1 4.44Å; K142-Y210 HydrophobicContact CB-CD2 3.81Å; K142-Y210 HydrophobicContact CB-CE1 4.15Å; K142-Y210 HydrophobicContact CB-CE2 3.44Å; K142-Y210 VanDerWaalsContact CB-CE2 3.44Å; K142-Y210 HydrophobicContact CB-CG 4.29Å; K142-Y210 HydrophobicContact CD-CD1 4.15Å; K142-Y210 HydrophobicContact CD-CE1 3.6Å; K142-Y210 HydrophobicContact CD-CE2 4.48Å; K142-Y210 HydrophobicContact CG-CE1 3.97Å; K142-Y210 HydrophobicContact CG-CE2 3.95Å; K142-Y210 PolarHBondContact N-O 3.4Å; K142-Y210 PolarHBondContact O-N 3.08Å; F171-Y210 AromaticContact CD1-CD2 3.86Å; F171-Y210 HydrophobicContact CD1-CD2 3.86Å; F171-Y210 HydrophobicContact CD1-CE2 4.41Å; F171-Y210 HydrophobicContact CD1-CG 4.47Å; F171-Y210 AromaticContact CE1-CD2 3.88Å; F171-Y210 HydrophobicContact CE1-CD2 3.88Å; F171-Y210 AromaticContact CE1-CE2 3.95Å; F171-Y210 HydrophobicContact CE1-CE2 3.95Å; C205-Y210 HydrophobicContact CB-CD1 4.35Å; C205-Y210 HydrophobicContact CB-CG 4.45Å; Y210-L212 HydrophobicContact CD2-CD2 4.19Å; Y210-L212 HydrophobicContact CE2-CD2 4.13Å; Y210-T238 HydrophobicContact CD1-CG2 4.05Å; Y210-T238 HydrophobicContact CD2-CG2 4.32Å; Y210-T238 HydrophobicContact CE1-CG2 3.93Å; Y210-T238 HydrophobicContact CE2-CG2 4.24Å; Y210-T238 HydrophobicContact CG-CG2 4.23Å
211S97.5Very high97.1Very high0 Ų020.2 Ų20.20%010%0.101CC..EExtended strand (participates in β ladder)trans-112.8153.2171.8-46.70000109.8I140 L141 F158 F171 Y172I140-S211 CarbonylContact O-C 3.54Å; I140-S211 WeakPolarHBondContact O-CA 3.42Å; L141-S211 VanDerWaalsContact CD1-OG 3.32Å; L141-S211 WeakPolarHBondContact CD1-OG 3.43Å; F158-S211 VanDerWaalsContact CZ-OG 3.29Å; F158-S211 WeakPolarHBondContact CZ-OG 3.45Å; F171-S211 CarbonylContact C-O 3.57Å; F171-S211 WeakPolarHBondContact CA-O 3.47Å; Y172-S211 PolarHBondContact N-O 3.49Å; Y172-S211 PolarHBondContact O-N 2.9Å
212L97.8Very high97.1Very high0 Ų023.8 Ų23.80%012%0.121CC..EExtended strand (participates in β ladder)trans-142.6150.4173.765.3164.1000111.3W126 L127 Y139 I140 A170 F171 Y210 V217 L220W126-L212 HydrophobicContact CH2-CD1 4.42Å; W126-L212 HydrophobicContact CH2-CD2 3.95Å; L127-L212 HydrophobicContact CD2-CD1 4.08Å; Y139-L212 CarbonylContact C-O 3.51Å; Y139-L212 WeakPolarHBondContact CA-O 3.42Å; I140-L212 HydrophobicContact CB-CD2 3.52Å; I140-L212 HydrophobicContact CB-CG 3.99Å; I140-L212 HydrophobicContact CG2-CD2 3.75Å; I140-L212 PolarHBondContact N-O 3.32Å; I140-L212 PolarHBondContact O-N 3.3Å; A170-L212 VanDerWaalsContact O-CA 3.28Å; A170-L212 WeakPolarHBondContact O-CA 3.15Å; F171-L212 HydrophobicContact CD1-CB 3.72Å; F171-L212 HydrophobicContact CE1-CB 3.81Å; F171-L212 HydrophobicContact CE1-CD1 3.97Å; F171-L212 HydrophobicContact CE1-CD2 4.36Å; F171-L212 HydrophobicContact CE1-CG 4.28Å; F171-L212 HydrophobicContact CG-CB 4.42Å; F171-L212 HydrophobicContact CZ-CD1 4.32Å; Y210-L212 HydrophobicContact CD2-CD2 4.19Å; Y210-L212 HydrophobicContact CE2-CD2 4.13Å; L212-V217 HydrophobicContact CD1-CG2 4.08Å; L212-L220 HydrophobicContact CD1-CD1 3.92Å
213T97.2Very high97.1Very high6 Ų623 Ų234%0.03712%0.116CC..EExtended strand (participates in β ladder)trans-69.1139.5169.453.60000110.1Y139 L168 K169 A170 Y172 Q215 A216Y139-T213 HydrophobicContact CD1-CG2 4.21Å; Y139-T213 HydrophobicContact CE1-CG2 3.89Å; L168-T213 WeakPolarHBondContact O-CB 3.48Å; L168-T213 VanDerWaalsContact O-CG2 3.32Å; L168-T213 WeakPolarHBondContact O-CG2 3.46Å; L168-T213 PolarHBondContact O-OG1 3.48Å; L168-T213 VanDerWaalsContact O-OG1 3.12Å; K169-T213 WeakPolarHBondContact CA-OG1 3.32Å; A170-T213 PolarHBondContact N-OG1 3.45Å; A170-T213 PolarHBondContact O-N 3.27Å; A170-T213 PolarHBondContact O-OG1 3.43Å; Y172-T213 HydrophobicContact CE2-CG2 4.1Å; T213-Q215 PolarHBondContact O-N 3.27Å; T213-Q215 VanDerWaalsContact O-N 3.15Å; T213-A216 WeakPolarHBondContact O-CB 3Å; T213-A216 PolarHBondContact O-N 2.6Å
214M96.7Very high97.1Very high20 Ų2018.8 Ų18.810%0.09910%0.101CC..G310 helixtrans-58.2-30.6177.3-174.658.77100112.5I47 A130 C134 A137 K138 I140 A216 V217I47-M214 HydrophobicContact CG2-CE 4.46Å; A130-M214 HydrophobicContact CB-CE 4.41Å; C134-M214 VanDerWaalsContact O-CE 3.27Å; C134-M214 WeakPolarHBondContact O-CE 3.46Å; A137-M214 HydrophobicContact CB-CE 3.76Å; A137-M214 WeakPolarHBondContact O-CB 3.49Å; A137-M214 WeakPolarHBondContact O-CG 3.44Å; K138-M214 PolarHBondContact O-N 2.99Å; I140-M214 HydrophobicContact CD1-CE 3.74Å; I140-M214 HydrophobicContact CD1-SD 4.07Å; I140-M214 HydrophobicContact CG1-CE 3.64Å; I140-M214 HydrophobicContact CG1-SD 4.45Å; M214-A216 PolarHBondContact O-N 3.11Å; M214-A216 VanDerWaalsContact O-N 3.14Å; M214-V217 WeakPolarHBondContact O-CB 3.05Å; M214-V217 WeakPolarHBondContact O-CG2 3.48Å; M214-V217 PolarHBondContact O-N 3.32Å; M214-V217 HydrophobicContact SD-CB 4.24Å; M214-V217 HydrophobicContact SD-CG2 3.71Å
215Q95.9Very high97Very high70 Ų7021 Ų2133%0.32711%0.112SC..G310 helixtrans-61.3-20175.4-63.882.6-7.700113.7S166 K169 T213 P219S166-Q215 PolarHBondContact O-NE2 2.04Å; K169-Q215 HydrophobicContact CG-CB 4.19Å; T213-Q215 PolarHBondContact O-N 3.27Å; T213-Q215 VanDerWaalsContact O-N 3.15Å; Q215-P219 VanDerWaalsContact O-CD 3.28Å; Q215-P219 WeakPolarHBondContact O-CD 3.42Å
216A97.8Very high96.9Very high0 Ų025.5 Ų25.50%014%0.139CC..G310 helixtrans-81.6-19.7176.200000112.8K169 T213 M214 P219 L220 V247K169-A216 HydrophobicContact CB-CB 4.25Å; T213-A216 WeakPolarHBondContact O-CB 3Å; T213-A216 PolarHBondContact O-N 2.6Å; M214-A216 PolarHBondContact O-N 3.11Å; M214-A216 VanDerWaalsContact O-N 3.14Å; A216-P219 WeakPolarHBondContact O-CD 3.36Å; A216-L220 HydrophobicContact CB-CD1 4.32Å; A216-L220 WeakPolarHBondContact O-CD1 3Å; A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 3.13Å; A216-V247 HydrophobicContact CB-CG1 3.85Å; A216-V247 HydrophobicContact CB-CG2 4.05Å
217V98.3Very high97Very high2 Ų225.1 Ų25.11%0.01214%0.136CC..Hα-helixtrans-64.2-51.2-170.9176.40000112.3L127 A131 I140 L212 M214 L220 L221L127-V217 HydrophobicContact CB-CG1 4.31Å; L127-V217 HydrophobicContact CD2-CB 4.37Å; L127-V217 HydrophobicContact CD2-CG1 3.91Å; L127-V217 HydrophobicContact CD2-CG2 4.04Å; L127-V217 WeakPolarHBondContact O-CG1 3.37Å; A131-V217 HydrophobicContact CB-CG1 3.89Å; I140-V217 HydrophobicContact CD1-CG2 3.56Å; L212-V217 HydrophobicContact CD1-CG2 4.08Å; M214-V217 WeakPolarHBondContact O-CB 3.05Å; M214-V217 WeakPolarHBondContact O-CG2 3.48Å; M214-V217 PolarHBondContact O-N 3.32Å; M214-V217 HydrophobicContact SD-CB 4.24Å; M214-V217 HydrophobicContact SD-CG2 3.71Å; V217-L220 WeakPolarHBondContact O-CB 3.44Å; V217-L220 PolarHBondContact O-N 3.34Å; V217-L221 HydrophobicContact CG1-CD1 3.99Å; V217-L221 HydrophobicContact CG1-CG 4.4Å; V217-L221 WeakPolarHBondContact O-CG 3.4Å; V217-L221 PolarHBondContact O-N 2.97Å
218Q97.6Very high97.1Very high102 Ų10226.2 Ų26.248%0.47714%0.142SC..Hα-helixtrans-65.2-43.3-178.7-168.36451.300113L220 L221 N222Q218-L220 VanDerWaalsContact C-N 3.31Å; Q218-L220 PolarHBondContact O-N 2.83Å; Q218-L221 PolarHBondContact O-N 2.85Å; Q218-N222 PolarHBondContact NE2-OD1 2.9Å; Q218-N222 WeakPolarHBondContact O-CB 3.49Å; Q218-N222 PolarHBondContact O-N 2.88Å; Q218-N222 PolarHBondContact O-OD1 2.82Å
219P97.9Very high97.2Very high23 Ų2327.4 Ų27.415%0.14914%0.144CC..Hα-helixtrans-54.6-42.1170.1-28.935.7000114.1K169 Q215 A216 N222 S223 A245K169-P219 HydrophobicContact CD-CG 4Å; Q215-P219 VanDerWaalsContact O-CD 3.28Å; Q215-P219 WeakPolarHBondContact O-CD 3.42Å; A216-P219 WeakPolarHBondContact O-CD 3.36Å; P219-N222 PolarHBondContact O-N 2.95Å; P219-S223 PolarHBondContact O-N 2.89Å; P219-S223 PolarHBondContact O-OG 2.71Å; P219-A245 HydrophobicContact CB-CB 3.88Å
220L98.7Very high97.3Very high0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-64.1-47.2176.2-69.9165.3000111.3L127 F171 L212 A216 V217 Q218 N222 S223 V224 L241 A242 A245 V247L127-L220 HydrophobicContact CD2-CD1 4.47Å; F171-L220 HydrophobicContact CE2-CD1 4.07Å; F171-L220 HydrophobicContact CE2-CD2 4.15Å; F171-L220 HydrophobicContact CZ-CD1 3.58Å; F171-L220 HydrophobicContact CZ-CD2 4.21Å; L212-L220 HydrophobicContact CD1-CD1 3.92Å; A216-L220 HydrophobicContact CB-CD1 4.32Å; A216-L220 WeakPolarHBondContact O-CD1 3Å; A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 3.13Å; V217-L220 WeakPolarHBondContact O-CB 3.44Å; V217-L220 PolarHBondContact O-N 3.34Å; Q218-L220 VanDerWaalsContact C-N 3.31Å; Q218-L220 PolarHBondContact O-N 2.83Å; L220-N222 VanDerWaalsContact C-N 3.34Å; L220-N222 PolarHBondContact O-N 3.18Å; L220-S223 WeakPolarHBondContact O-CB 3.37Å; L220-S223 PolarHBondContact O-N 2.65Å; L220-V224 PolarHBondContact O-N 2.9Å; L220-L241 HydrophobicContact CD2-CB 3.78Å; L220-A242 HydrophobicContact CD2-CB 4.43Å; L220-A245 HydrophobicContact CD2-CB 4.24Å; L220-V247 HydrophobicContact CD2-CG2 4.32Å; L220-V247 HydrophobicContact CG-CG2 4.33Å
221L97.9Very high97.2Very high18 Ų1827.6 Ų27.69%0.09415%0.145CC..Hα-helixtrans-60.1-42.7177.7-72.7175.2000112.2V124 L127 N128 A131 V217 Q218 S223 V224V124-L221 HydrophobicContact CG1-CD2 4.26Å; L127-L221 HydrophobicContact CB-CD2 3.73Å; L127-L221 HydrophobicContact CB-CG 4.2Å; N128-L221 VanDerWaalsContact ND2-CD2 3.34Å; N128-L221 WeakPolarHBondContact ND2-CD2 3.1Å; A131-L221 HydrophobicContact CB-CD1 3.98Å; V217-L221 HydrophobicContact CG1-CD1 3.99Å; V217-L221 HydrophobicContact CG1-CG 4.4Å; V217-L221 WeakPolarHBondContact O-CG 3.4Å; V217-L221 PolarHBondContact O-N 2.97Å; Q218-L221 PolarHBondContact O-N 2.85Å; L221-S223 PolarHBondContact O-N 2.81Å; L221-V224 WeakPolarHBondContact O-CB 3.39Å; L221-V224 WeakPolarHBondContact O-CG2 3.36Å; L221-V224 PolarHBondContact O-N 2.91Å
222N97.1Very high97.2Very high87 Ų8728 Ų2847%0.46515%0.147SC..Hα-helixtrans-63.9-25176.5-68.9-9.8000112.6Q218 P219 L220Q218-N222 PolarHBondContact NE2-OD1 2.9Å; Q218-N222 WeakPolarHBondContact O-CB 3.49Å; Q218-N222 PolarHBondContact O-N 2.88Å; Q218-N222 PolarHBondContact O-OD1 2.82Å; P219-N222 PolarHBondContact O-N 2.95Å; L220-N222 VanDerWaalsContact C-N 3.34Å; L220-N222 PolarHBondContact O-N 3.18Å
223S98Very high97.2Very high8 Ų828.2 Ų28.26%0.05615%0.149CC..Hα-helixtrans-82.5-14.2-178.4-59.50000113.4P219 L220 L221 E225 V226 T227 A245P219-S223 PolarHBondContact O-N 2.89Å; P219-S223 PolarHBondContact O-OG 2.71Å; L220-S223 WeakPolarHBondContact O-CB 3.37Å; L220-S223 PolarHBondContact O-N 2.65Å; L221-S223 PolarHBondContact O-N 2.81Å; S223-E225 VanDerWaalsContact C-N 3.32Å; S223-E225 PolarHBondContact O-N 3.18Å; S223-V226 WeakPolarHBondContact O-CG2 3.32Å; S223-V226 PolarHBondContact O-N 3.21Å; S223-T227 VanDerWaalsContact O-CB 3.24Å; S223-T227 WeakPolarHBondContact O-CB 3.23Å; S223-T227 PolarHBondContact O-N 3.46Å; S223-T227 PolarHBondContact O-OG1 2.96Å; S223-A245 WeakPolarHBondContact OG-CB 3.25Å; S223-A245 PolarHBondContact OG-N 3.39Å
224V97.5Very high97.2Very high5 Ų528.9 Ų28.93%0.0315%0.152CC..THydrogen-bonded Turntrans-62.4-38.3-178.6178.30000111.9V13 F15 V124 L220 L221 V226 L241V13-V224 HydrophobicContact CG1-CG1 4.43Å; F15-V224 HydrophobicContact CD1-CG1 3.7Å; F15-V224 HydrophobicContact CE1-CG1 3.77Å; F15-V224 HydrophobicContact CG-CG1 4.5Å; V124-V224 HydrophobicContact CG1-CG2 4.21Å; V124-V224 HydrophobicContact CG2-CG2 3.97Å; L220-V224 PolarHBondContact O-N 2.9Å; L221-V224 WeakPolarHBondContact O-CB 3.39Å; L221-V224 WeakPolarHBondContact O-CG2 3.36Å; L221-V224 PolarHBondContact O-N 2.91Å; V224-V226 PolarHBondContact O-N 2.88Å; V224-L241 HydrophobicContact CG2-CD1 3.82Å; V224-L241 HydrophobicContact CG2-CD2 4.25Å
225E94.7Very high97.3Very high67 Ų6728 Ų2831%0.31315%0.147SC..THydrogen-bonded Turntrans-74.9-10.9-176-54.4-165.9144.200113.5K2 T14 S223K2-E225 WeakPolarHBondContact CE-OE2 3.32Å; T14-E225 PolarHBondContact OG1-OE1 2.8Å; S223-E225 VanDerWaalsContact C-N 3.32Å; S223-E225 PolarHBondContact O-N 3.18Å
226V95.6Very high97.5Very high95 Ų9524.6 Ų24.658%0.57613%0.132SC*.THydrogen-bonded Turntrans-128.3-1.4-173.4-62.80000113.5S223 V224 T244S223-V226 WeakPolarHBondContact O-CG2 3.32Å; S223-V226 PolarHBondContact O-N 3.21Å; V224-V226 PolarHBondContact O-N 2.88Å; V226-T244 HydrophobicContact CG2-CG2 3.94Å
227T97.3Very high97.5Very high5 Ų524.6 Ų24.63%0.03113%0.132CC..SBendtrans-110.5127.3178.7-54.20000108.9S223 F229 Y236 L240 L241 T244S223-T227 VanDerWaalsContact O-CB 3.24Å; S223-T227 WeakPolarHBondContact O-CB 3.23Å; S223-T227 PolarHBondContact O-N 3.46Å; S223-T227 PolarHBondContact O-OG1 2.96Å; T227-F229 PolarHBondContact O-N 3.24Å; T227-Y236 HydrophobicContact CG2-CE2 4.29Å; T227-L240 HydrophobicContact CG2-CB 3.7Å; T227-L241 HydrophobicContact CG2-CD2 3.97Å; T227-T244 WeakPolarHBondContact OG1-CB 3.4Å; T227-T244 WeakPolarHBondContact OG1-CG2 3.35Å; T227-T244 PolarHBondContact OG1-OG1 2.8Å
228P96.5Very high97.5Very high33 Ų3324.5 Ų24.521%0.21413%0.131CC..BIsolated β-bridgetrans-56.8128.7179-24.832.3000112.2F16 R18 Y236F16-P228 HydrophobicContact CD1-CB 4.41Å; F16-P228 HydrophobicContact CD1-CG 3.96Å; F16-P228 HydrophobicContact CE1-CG 3.86Å; F16-P228 CarbonylContact O-C 3.21Å; F16-P228 WeakPolarHBondContact O-CA 3.47Å; R18-P228 HydrophobicContact CG-CB 3.54Å; R18-P228 HydrophobicContact CG-CG 4.28Å; P228-Y236 WeakPolarHBondContact O-CE2 3.29Å
229F97.1Very high97.6Very high34 Ų3419.7 Ų19.715%0.14911%0.109CC..  trans-60.7138-179.9176.1-100.8000110.6F15 F16 Y17 T227 W231 Y236F15-F229 HydrophobicContact CB-CB 4.45Å; F15-F229 HydrophobicContact CD1-CB 4.39Å; F15-F229 AromaticContact CD1-CD2 3.42Å; F15-F229 HydrophobicContact CD1-CD2 3.42Å; F15-F229 VanDerWaalsContact CD1-CD2 3.42Å; F15-F229 HydrophobicContact CD1-CE2 4.07Å; F15-F229 HydrophobicContact CD1-CG 4.24Å; F15-F229 AromaticContact CE1-CD2 3.67Å; F15-F229 HydrophobicContact CE1-CD2 3.67Å; F15-F229 AromaticContact CE1-CE2 3.91Å; F15-F229 HydrophobicContact CE1-CE2 3.91Å; F15-F229 HydrophobicContact CG-CD2 4.06Å; F15-F229 HydrophobicContact CZ-CE2 4.36Å; F16-F229 WeakPolarHBondContact O-CB 3.46Å; F16-F229 PolarHBondContact O-N 2.84Å; Y17-F229 HydrophobicContact CD1-CB 4.16Å; Y17-F229 HydrophobicContact CD1-CD1 4.15Å; Y17-F229 HydrophobicContact CE1-CB 4.13Å; Y17-F229 AromaticContact CE1-CD1 3.56Å; Y17-F229 HydrophobicContact CE1-CD1 3.56Å; Y17-F229 HydrophobicContact CE1-CE1 4.27Å; Y17-F229 HydrophobicContact CE1-CG 4.05Å; T227-F229 PolarHBondContact O-N 3.24Å; F229-W231 HydrophobicContact CE1-CB 4.06Å; F229-W231 HydrophobicContact CZ-CB 4.11Å; F229-Y236 HydrophobicContact CD2-CE1 4.29Å
230L97.5Very high97.6Very high1 Ų119.6 Ų19.61%0.00511%0.107CC..  trans-136.4136.6167.6178.165.2000107S120 V191 F196 Y201 V232 V235 Y236 L240S120-L230 WeakPolarHBondContact CB-O 3.36Å; S120-L230 PolarHBondContact OG-O 3.07Å; V191-L230 HydrophobicContact CG1-CD1 3.74Å; V191-L230 HydrophobicContact CG2-CD1 4.08Å; F196-L230 HydrophobicContact CB-CD1 4.31Å; F196-L230 HydrophobicContact CD2-CD2 4.18Å; Y201-L230 HydrophobicContact CD1-CD2 4.47Å; Y201-L230 HydrophobicContact CE1-CD2 3.86Å; L230-V232 HydrophobicContact CD2-CB 4.23Å; L230-V232 HydrophobicContact CG-CB 4.18Å; L230-V232 HydrophobicContact CG-CG2 4.42Å; L230-V235 HydrophobicContact CD2-CB 3.87Å; L230-V235 HydrophobicContact CD2-CG1 3.48Å; L230-V235 VanDerWaalsContact CD2-CG1 3.48Å; L230-Y236 HydrophobicContact CB-CD2 4.19Å; L230-Y236 WeakPolarHBondContact O-CB 3.39Å; L230-L240 HydrophobicContact CB-CD1 4.02Å; L230-L240 HydrophobicContact CD2-CD1 4.14Å
231W96.6Very high97.6Very high4 Ų419.6 Ų19.62%0.01511%0.107CC..SBendtrans-75.6-26.4-174.569.2-91000113.4Y116 R117 S120 Q188 W189 E195 F229 D233Y116-W231 VanDerWaalsContact O-CE3 3.27Å; R117-W231 WeakPolarHBondContact O-CB 3.26Å; S120-W231 PolarHBondContact N-O 2.92Å; S120-W231 VanDerWaalsContact OG-C 3.23Å; S120-W231 PolarHBondContact OG-O 2.87Å; Q188-W231 VanDerWaalsContact O-CH2 3.22Å; Q188-W231 WeakPolarHBondContact O-CH2 3.33Å; W189-W231 AromaticContact CE3-CH2 3.6Å; W189-W231 HydrophobicContact CE3-CH2 3.6Å; W189-W231 AromaticContact CE3-CZ3 3.83Å; W189-W231 HydrophobicContact CE3-CZ3 3.83Å; W189-W231 HydrophobicContact CZ3-CH2 4.13Å; W189-W231 AromaticContact CZ3-CZ3 3.89Å; W189-W231 HydrophobicContact CZ3-CZ3 3.89Å; E195-W231 PolarHBondContact OE2-NE1 3Å; F229-W231 HydrophobicContact CE1-CB 4.06Å; F229-W231 HydrophobicContact CZ-CB 4.11Å; W231-D233 PolarHBondContact O-N 3.44Å; W231-D233 VanDerWaalsContact O-N 3.08Å
232V97.7Very high97.6Very high7 Ų718.8 Ų18.84%0.04210%0.102CC..  trans-65.5102.5175.2-173.50000109W189 V191 L230 D234 V235 Y236W189-V232 HydrophobicContact CE3-CG1 4.47Å; V191-V232 HydrophobicContact CG2-CG2 3.78Å; L230-V232 HydrophobicContact CD2-CB 4.23Å; L230-V232 HydrophobicContact CG-CB 4.18Å; L230-V232 HydrophobicContact CG-CG2 4.42Å; V232-D234 VanDerWaalsContact CG1-OD1 3.32Å; V232-D234 WeakPolarHBondContact CG1-OD1 3.33Å; V232-V235 HydrophobicContact CB-CB 4.34Å; V232-V235 HydrophobicContact CB-CG2 4.37Å; V232-V235 HydrophobicContact CG1-CB 4.11Å; V232-V235 HydrophobicContact CG1-CG2 3.71Å; V232-V235 PolarHBondContact O-N 3.24Å; V232-Y236 WeakPolarHBondContact O-CB 3.29Å; V232-Y236 PolarHBondContact O-N 3.2Å
233D98Very high97.7Very high5 Ų518.2 Ų18.23%0.02710%0.1CC..Hα-helixtrans-68.5-40.1-163.572.1-46.4000114.2H51 L119 S120 A123 K142 W231 Y236 I237H51-D233 IonicContact CE1-OD2 2.76Å; L119-D233 HydrophobicContact CB-CB 3.73Å; S120-D233 WeakPolarHBondContact OG-CA 3.4Å; S120-D233 PolarHBondContact OG-N 3.27Å; A123-D233 HydrophobicContact CB-CB 4.36Å; K142-D233 IonicContact NZ-OD2 2.77Å; W231-D233 PolarHBondContact O-N 3.44Å; W231-D233 VanDerWaalsContact O-N 3.08Å; D233-Y236 PolarHBondContact O-N 2.82Å; D233-I237 VanDerWaalsContact O-CB 3.24Å; D233-I237 WeakPolarHBondContact O-CB 3.5Å; D233-I237 WeakPolarHBondContact O-CG1 3.36Å; D233-I237 PolarHBondContact O-N 3.03Å
234D97.7Very high97.7Very high21 Ų2121.3 Ų21.311%0.11212%0.118CC..Hα-helixtrans-66.2-42.3179.363-6.8000111.4Y204 C205 G207 V232 T238Y204-D234 HydrophobicContact CD2-CB 4.12Å; Y204-D234 HydrophobicContact CE2-CB 4.36Å; Y204-D234 WeakPolarHBondContact CE2-OD2 3.43Å; C205-D234 WeakPolarHBondContact O-CB 3.23Å; G207-D234 WeakPolarHBondContact CA-OD2 3.33Å; G207-D234 PolarHBondContact N-OD2 3.47Å; V232-D234 VanDerWaalsContact CG1-OD1 3.32Å; V232-D234 WeakPolarHBondContact CG1-OD1 3.33Å; D234-T238 WeakPolarHBondContact O-CB 3.32Å; D234-T238 PolarHBondContact O-N 3.24Å; D234-T238 PolarHBondContact O-OG1 3.19Å
235V98.4Very high97.7Very high0 Ų021.8 Ų21.80%012%0.123CC..Hα-helixtrans-63.7-47.5171.3-179.10000111.4Y201 Y204 L230 V232 G239 L240Y201-V235 HydrophobicContact CD1-CB 4.41Å; Y201-V235 HydrophobicContact CD1-CG1 3.47Å; Y201-V235 VanDerWaalsContact CD1-CG1 3.47Å; Y201-V235 HydrophobicContact CD1-CG2 4.12Å; Y201-V235 HydrophobicContact CD2-CG2 3.92Å; Y201-V235 HydrophobicContact CE1-CG1 3.91Å; Y201-V235 HydrophobicContact CE1-CG2 4.27Å; Y201-V235 HydrophobicContact CE2-CG2 4.07Å; Y201-V235 HydrophobicContact CG-CG1 3.88Å; Y201-V235 HydrophobicContact CG-CG2 3.93Å; Y204-V235 HydrophobicContact CD1-CG2 4.24Å; Y204-V235 HydrophobicContact CD2-CB 4.43Å; Y204-V235 HydrophobicContact CD2-CG2 3.76Å; Y204-V235 HydrophobicContact CE1-CG2 4.15Å; Y204-V235 HydrophobicContact CE2-CG2 3.67Å; Y204-V235 HydrophobicContact CG-CG2 4.06Å; L230-V235 HydrophobicContact CD2-CB 3.87Å; L230-V235 HydrophobicContact CD2-CG1 3.48Å; L230-V235 VanDerWaalsContact CD2-CG1 3.48Å; V232-V235 HydrophobicContact CB-CB 4.34Å; V232-V235 HydrophobicContact CB-CG2 4.37Å; V232-V235 HydrophobicContact CG1-CB 4.11Å; V232-V235 HydrophobicContact CG1-CG2 3.71Å; V232-V235 PolarHBondContact O-N 3.24Å; V235-G239 CarbonylContact O-C 3.53Å; V235-G239 WeakPolarHBondContact O-CA 3.41Å; V235-G239 PolarHBondContact O-N 3.35Å; V235-L240 PolarHBondContact O-N 3.14Å
236Y98.5Very high97.9Very high0 Ų025.3 Ų25.30%014%0.144CC..Iπ-helixtrans-65.6-53.8-176.5-177.6-120.5000111.7F15 V124 T227 P228 F229 L230 V232 D233 L240 L241F15-Y236 HydrophobicContact CE1-CE1 4.17Å; V124-Y236 HydrophobicContact CG2-CE1 4.15Å; T227-Y236 HydrophobicContact CG2-CE2 4.29Å; P228-Y236 WeakPolarHBondContact O-CE2 3.29Å; F229-Y236 HydrophobicContact CD2-CE1 4.29Å; L230-Y236 HydrophobicContact CB-CD2 4.19Å; L230-Y236 WeakPolarHBondContact O-CB 3.39Å; V232-Y236 WeakPolarHBondContact O-CB 3.29Å; V232-Y236 PolarHBondContact O-N 3.2Å; D233-Y236 PolarHBondContact O-N 2.82Å; Y236-L240 HydrophobicContact CD2-CB 4.35Å; Y236-L240 HydrophobicContact CD2-CD1 4.14Å; Y236-L240 PolarHBondContact O-N 3.45Å; Y236-L241 HydrophobicContact CD1-CD1 4.21Å; Y236-L241 HydrophobicContact CD1-CG 4.39Å; Y236-L241 HydrophobicContact CD2-CG 4.46Å; Y236-L241 HydrophobicContact CE1-CD1 3.83Å; Y236-L241 HydrophobicContact CE1-CD2 4.33Å; Y236-L241 HydrophobicContact CE1-CG 4.11Å; Y236-L241 HydrophobicContact CE2-CD2 3.96Å; Y236-L241 HydrophobicContact CE2-CG 4.16Å; Y236-L241 WeakPolarHBondContact O-CG 3.42Å; Y236-L241 PolarHBondContact O-N 2.83Å
237I98.7Very high98Very high0 Ų020.9 Ų20.90%012%0.117CC..Iπ-helixtrans-73.1-47.1-173.8-56.5-61.9000111.7A123 V124 L127 F171 D233 L241 A242A123-I237 HydrophobicContact CB-CD1 3.81Å; A123-I237 HydrophobicContact CB-CG1 3.61Å; V124-I237 HydrophobicContact CG2-CD1 3.88Å; L127-I237 HydrophobicContact CD1-CD1 4.23Å; L127-I237 HydrophobicContact CD1-CG2 4.2Å; F171-I237 HydrophobicContact CZ-CG2 4.21Å; D233-I237 VanDerWaalsContact O-CB 3.24Å; D233-I237 WeakPolarHBondContact O-CB 3.5Å; D233-I237 WeakPolarHBondContact O-CG1 3.36Å; D233-I237 PolarHBondContact O-N 3.03Å; I237-L241 HydrophobicContact CD1-CD1 3.69Å; I237-A242 PolarHBondContact O-N 3.41Å
238T98.7Very high98Very high0 Ų025.5 Ų25.50%014%0.138CC..Iπ-helixtrans-100-11.5-170.879.20000113.1F171 C205 Y210 D234 A242 R249F171-T238 HydrophobicContact CD1-CG2 4Å; F171-T238 HydrophobicContact CE1-CG2 3.65Å; F171-T238 HydrophobicContact CE2-CG2 4.49Å; F171-T238 HydrophobicContact CZ-CG2 3.92Å; C205-T238 HydrophobicContact CB-CG2 3.93Å; C205-T238 WeakPolarHBondContact CB-OG1 3.38Å; C205-T238 PolarHBondContact N-OG1 2.94Å; Y210-T238 HydrophobicContact CD1-CG2 4.05Å; Y210-T238 HydrophobicContact CD2-CG2 4.32Å; Y210-T238 HydrophobicContact CE1-CG2 3.93Å; Y210-T238 HydrophobicContact CE2-CG2 4.24Å; Y210-T238 HydrophobicContact CG-CG2 4.23Å; D234-T238 WeakPolarHBondContact O-CB 3.32Å; D234-T238 PolarHBondContact O-N 3.24Å; D234-T238 PolarHBondContact O-OG1 3.19Å; T238-A242 WeakPolarHBondContact O-CB 3.44Å; T238-R249 VanDerWaalsContact O-CD 3.28Å; T238-R249 WeakPolarHBondContact O-CD 3.15Å; T238-R249 PolarHBondContact O-NH1 3.13Å
239G98.6Very high98Very high0 Ų025.6 Ų25.60%013%0.134CC..Iπ-helixtrans-100.3-75.2172.100000111.3V235 N243 R249V235-G239 CarbonylContact O-C 3.53Å; V235-G239 WeakPolarHBondContact O-CA 3.41Å; V235-G239 PolarHBondContact O-N 3.35Å; G239-N243 WeakPolarHBondContact O-CB 3.48Å; G239-N243 PolarHBondContact O-N 3.45Å; G239-N243 PolarHBondContact O-ND2 3.09Å; G239-N243 PolarHBondContact O-OD1 2.77Å; G239-R249 PolarHBondContact O-NH1 3.41Å; G239-R249 VanDerWaalsContact O-NH1 3.12Å
240L98.5Very high97.9Very high22 Ų2225.7 Ų25.712%0.11514%0.136CC..Iπ-helixtrans-68.3-57.4-170.2-60.9174000112.5F196 P202 T227 L230 V235 Y236 A242 N243 T244F196-L240 HydrophobicContact CE2-CD1 4.18Å; F196-L240 HydrophobicContact CE2-CD2 4.12Å; P202-L240 HydrophobicContact CG-CD2 3.84Å; P202-L240 HydrophobicContact CG-CG 4.37Å; T227-L240 HydrophobicContact CG2-CB 3.7Å; L230-L240 HydrophobicContact CB-CD1 4.02Å; L230-L240 HydrophobicContact CD2-CD1 4.14Å; V235-L240 PolarHBondContact O-N 3.14Å; Y236-L240 HydrophobicContact CD2-CB 4.35Å; Y236-L240 HydrophobicContact CD2-CD1 4.14Å; Y236-L240 PolarHBondContact O-N 3.45Å; L240-A242 VanDerWaalsContact C-N 3.28Å; L240-A242 PolarHBondContact O-N 2.88Å; L240-N243 WeakPolarHBondContact O-CB 3.43Å; L240-N243 PolarHBondContact O-N 2.81Å; L240-N243 VanDerWaalsContact O-N 3.16Å; L240-T244 PolarHBondContact O-N 3.33Å; L240-T244 VanDerWaalsContact O-N 3.07Å; L240-T244 PolarHBondContact O-OG1 2.71Å
241L98.7Very high97.7Very high0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-61.4-39177.5-63.8-172.6000111.6L220 V224 T227 Y236 I237 N243 T244 A245L220-L241 HydrophobicContact CD2-CB 3.78Å; V224-L241 HydrophobicContact CG2-CD1 3.82Å; V224-L241 HydrophobicContact CG2-CD2 4.25Å; T227-L241 HydrophobicContact CG2-CD2 3.97Å; Y236-L241 HydrophobicContact CD1-CD1 4.21Å; Y236-L241 HydrophobicContact CD1-CG 4.39Å; Y236-L241 HydrophobicContact CD2-CG 4.46Å; Y236-L241 HydrophobicContact CE1-CD1 3.83Å; Y236-L241 HydrophobicContact CE1-CD2 4.33Å; Y236-L241 HydrophobicContact CE1-CG 4.11Å; Y236-L241 HydrophobicContact CE2-CD2 3.96Å; Y236-L241 HydrophobicContact CE2-CG 4.16Å; Y236-L241 WeakPolarHBondContact O-CG 3.42Å; Y236-L241 PolarHBondContact O-N 2.83Å; I237-L241 HydrophobicContact CD1-CD1 3.69Å; L241-N243 VanDerWaalsContact C-N 3.33Å; L241-N243 PolarHBondContact O-N 3.08Å; L241-T244 PolarHBondContact O-N 2.98Å; L241-A245 WeakPolarHBondContact O-CB 3.47Å; L241-A245 PolarHBondContact O-N 2.69Å
242A98.6Very high97.5Very high0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-63.2-37.8177.300000112.5F171 L220 I237 T238 L240 N246 V247F171-A242 HydrophobicContact CD2-CB 4.27Å; F171-A242 HydrophobicContact CE2-CB 3.81Å; L220-A242 HydrophobicContact CD2-CB 4.43Å; I237-A242 PolarHBondContact O-N 3.41Å; T238-A242 WeakPolarHBondContact O-CB 3.44Å; L240-A242 VanDerWaalsContact C-N 3.28Å; L240-A242 PolarHBondContact O-N 2.88Å; A242-N246 PolarHBondContact O-N 3.26Å; A242-N246 VanDerWaalsContact O-N 3.1Å; A242-V247 HydrophobicContact CB-CB 4.27Å; A242-V247 PolarHBondContact O-N 2.7Å
243N98.2Very high97Very high76 Ų7632.2 Ų32.241%0.40617%0.168SC..Hα-helixtrans-63.3-52.1173.4-71.9-8.5000110.9G239 L240 L241 A245 N246 R249G239-N243 WeakPolarHBondContact O-CB 3.48Å; G239-N243 PolarHBondContact O-N 3.45Å; G239-N243 PolarHBondContact O-ND2 3.09Å; G239-N243 PolarHBondContact O-OD1 2.77Å; L240-N243 WeakPolarHBondContact O-CB 3.43Å; L240-N243 PolarHBondContact O-N 2.81Å; L240-N243 VanDerWaalsContact O-N 3.16Å; L241-N243 VanDerWaalsContact C-N 3.33Å; L241-N243 PolarHBondContact O-N 3.08Å; N243-A245 VanDerWaalsContact C-N 3.29Å; N243-A245 PolarHBondContact O-N 3.44Å; N243-N246 PolarHBondContact O-N 3.46Å; N243-N246 VanDerWaalsContact O-N 3.16Å; N243-R249 PolarHBondContact OD1-NH1 2.71Å; N243-R249 PolarHBondContact OD1-NH2 3.3Å
244T98.4Very high96.3Very high73 Ų7336.8 Ų36.845%0.44820%0.201SC..Hα-helixtrans-60-40.5179.7-54.10000112V226 T227 L240 L241 N246V226-T244 HydrophobicContact CG2-CG2 3.94Å; T227-T244 WeakPolarHBondContact OG1-CB 3.4Å; T227-T244 WeakPolarHBondContact OG1-CG2 3.35Å; T227-T244 PolarHBondContact OG1-OG1 2.8Å; L240-T244 PolarHBondContact O-N 3.33Å; L240-T244 VanDerWaalsContact O-N 3.07Å; L240-T244 PolarHBondContact O-OG1 2.71Å; L241-T244 PolarHBondContact O-N 2.98Å; T244-N246 VanDerWaalsContact C-N 3.29Å; T244-N246 PolarHBondContact O-N 2.9Å
245A98.3Very high95.7Very high15 Ų1537 Ų3712%0.12420%0.201CC..THydrogen-bonded Turntrans-81-3.8-178.800000114.2P219 L220 S223 L241 N243 V247P219-A245 HydrophobicContact CB-CB 3.88Å; L220-A245 HydrophobicContact CD2-CB 4.24Å; S223-A245 WeakPolarHBondContact OG-CB 3.25Å; S223-A245 PolarHBondContact OG-N 3.39Å; L241-A245 WeakPolarHBondContact O-CB 3.47Å; L241-A245 PolarHBondContact O-N 2.69Å; N243-A245 VanDerWaalsContact C-N 3.29Å; N243-A245 PolarHBondContact O-N 3.44Å; A245-V247 VanDerWaalsContact C-N 3.32Å; A245-V247 HydrophobicContact CB-CG2 3.71Å; A245-V247 PolarHBondContact O-N 2.97Å
246N97.8Very high95.1Very high140 Ų14037.9 Ų37.975%0.74921%0.205SC*.THydrogen-bonded Turntrans49.550-170.3-166.533.1000112.8A242 N243 T244A242-N246 PolarHBondContact O-N 3.26Å; A242-N246 VanDerWaalsContact O-N 3.1Å; N243-N246 PolarHBondContact O-N 3.46Å; N243-N246 VanDerWaalsContact O-N 3.16Å; T244-N246 VanDerWaalsContact C-N 3.29Å; T244-N246 PolarHBondContact O-N 2.9Å
247V98Very high94.3Very high2 Ų238.8 Ų38.81%0.01221%0.209CC..  trans-98126.9175.9178.90000108.9K169 F171 A216 L220 A242 A245K169-V247 HydrophobicContact CB-CG2 4.34Å; F171-V247 HydrophobicContact CD2-CB 4.49Å; F171-V247 HydrophobicContact CD2-CG1 3.57Å; F171-V247 HydrophobicContact CE2-CB 4.34Å; F171-V247 HydrophobicContact CE2-CG1 3.68Å; A216-V247 HydrophobicContact CB-CG1 3.85Å; A216-V247 HydrophobicContact CB-CG2 4.05Å; L220-V247 HydrophobicContact CD2-CG2 4.32Å; L220-V247 HydrophobicContact CG-CG2 4.33Å; A242-V247 HydrophobicContact CB-CB 4.27Å; A242-V247 PolarHBondContact O-N 2.7Å; A245-V247 VanDerWaalsContact C-N 3.32Å; A245-V247 HydrophobicContact CB-CG2 3.71Å; A245-V247 PolarHBondContact O-N 2.97Å
248E96.6Very high93.1Very high103 Ų10340 Ų4048%0.48122%0.217SC..EExtended strand (participates in β ladder)trans-71.9156.1-178.3-67.1-172.6-17800112.1K169 A170 F171K169-E248 PolarHBondContact O-N 3.05Å; A170-E248 CarbonylContact C-O 3.55Å; A170-E248 WeakPolarHBondContact CA-O 3.21Å; A170-E248 HydrophobicContact CB-CB 4.18Å; F171-E248 PolarHBondContact N-O 2.55Å
249R96.9Very high91.4Very high34 Ų3448 Ų4813%0.12825%0.249CC..EExtended strand (participates in β ladder)trans-119.1101.2169.2-74.6142.9-79-136.50.5108.7F171 V175 R203 T238 G239 N243F171-R249 HydrophobicContact CB-CG 4.21Å; F171-R249 HydrophobicContact CD2-CG 4.41Å; V175-R249 HydrophobicContact CG2-CB 4Å; R203-R249 PolarHBondContact NH2-O 3.36Å; R203-R249 PolarHBondContact O-NH1 2.73Å; T238-R249 VanDerWaalsContact O-CD 3.28Å; T238-R249 WeakPolarHBondContact O-CD 3.15Å; T238-R249 PolarHBondContact O-NH1 3.13Å; G239-R249 PolarHBondContact O-NH1 3.41Å; G239-R249 VanDerWaalsContact O-NH1 3.12Å; N243-R249 PolarHBondContact OD1-NH1 2.71Å; N243-R249 PolarHBondContact OD1-NH2 3.3Å
250I94.9Very high89.4Confident37 Ų3749.1 Ų49.119%0.1926%0.261CS..EExtended strand (participates in β ladder)trans-85.6119.1177.7-64.2176.3000108.8L168 A170 F171 Y172 C173 I252L168-I250 HydrophobicContact CD2-CD1 3.61Å; A170-I250 HydrophobicContact CB-CD1 3.97Å; A170-I250 HydrophobicContact CB-CG1 4.32Å; F171-I250 PolarHBondContact O-N 2.97Å; Y172-I250 WeakPolarHBondContact CA-O 3.27Å; Y172-I250 HydrophobicContact CD1-CB 3.66Å; Y172-I250 HydrophobicContact CD1-CD1 4.18Å; Y172-I250 HydrophobicContact CD1-CG1 4.45Å; Y172-I250 HydrophobicContact CD1-CG2 3.78Å; Y172-I250 HydrophobicContact CE1-CB 3.93Å; Y172-I250 HydrophobicContact CE1-CD1 3.52Å; Y172-I250 HydrophobicContact CE1-CG1 4.26Å; Y172-I250 HydrophobicContact CE1-CG2 4Å; C173-I250 PolarHBondContact N-O 3.17Å; I250-I252 PolarHBondContact O-N 2.91Å
251E94.7Very high87.2Confident80 Ų8055.9 Ų55.937%0.37429%0.291SS..EExtended strand (participates in β ladder)trans-70.1124.8-178.1-74171.6-141.100111V175 K177 R203V175-E251 HydrophobicContact CB-CG 3.69Å; V175-E251 HydrophobicContact CG2-CB 4.49Å; V175-E251 HydrophobicContact CG2-CG 3.43Å; V175-E251 VanDerWaalsContact CG2-CG 3.43Å; K177-E251 WeakPolarHBondContact CE-OE1 3.22Å; K177-E251 IonicContact NZ-OE1 3.4Å; K177-E251 PolarHBondContact NZ-OE1 3.45Å; K177-E251 IonicContact NZ-OE2 3.56Å; K177-E251 PolarHBondContact NZ-OE2 3.45Å; R203-E251 IonicContact CZ-OE1 3.58Å; R203-E251 IonicContact NH1-OE1 2.86Å; R203-E251 IonicContact NH2-OE1 3.93Å; R203-E251 PolarHBondContact NH2-OE1 3.4Å
252I92Very high85.1Confident8 Ų861.8 Ų61.84%0.04131%0.314CS..  trans-12531.6171.358.6166.4000110.8F157 C173 I250 S254 I255 F272F157-I252 HydrophobicContact CE2-CG2 3.84Å; F157-I252 HydrophobicContact CZ-CG2 3.82Å; C173-I252 VanDerWaalsContact C-CG1 3.46Å; C173-I252 WeakPolarHBondContact O-CG1 3.32Å; C173-I252 PolarHBondContact O-N 3.33Å; I250-I252 PolarHBondContact O-N 2.91Å; I252-S254 PolarHBondContact O-N 2.83Å; I252-I255 HydrophobicContact CB-CD1 3.99Å; I252-I255 HydrophobicContact CB-CG1 3.85Å; I252-I255 HydrophobicContact CD1-CD1 3.93Å; I252-I255 HydrophobicContact CD1-CG1 4.28Å; I252-I255 HydrophobicContact CG1-CD1 4.42Å; I252-I255 HydrophobicContact CG1-CG1 4.34Å; I252-I255 WeakPolarHBondContact O-CG1 3.32Å; I252-I255 PolarHBondContact O-N 2.69Å; I252-F272 HydrophobicContact CD1-CE2 4.09Å
253N86.3Confident82.8Confident61 Ų6171.5 Ų71.533%0.32636%0.356SS..G310 helixtrans-54.3-31.1-175.3-61.323.5000112.8L174 V175 I255 Y256L174-N253 WeakPolarHBondContact CA-OD1 3.4Å; L174-N253 HydrophobicContact CD1-CB 3.83Å; L174-N253 WeakPolarHBondContact CD1-ND2 3.43Å; V175-N253 PolarHBondContact N-OD1 2.74Å; V175-N253 VanDerWaalsContact N-OD1 3.12Å; N253-I255 PolarHBondContact O-N 3.06Å; N253-Y256 PolarHBondContact O-N 3.29Å
254S84Confident80.5Confident101 Ų10171.4 Ų71.471%0.70636%0.358SS*.G310 helixtrans-65.5-16-179.357.20000114.8I252I252-S254 PolarHBondContact O-N 2.83Å
255I84.7Confident78.3Confident24 Ų2469.8 Ų69.812%0.12335%0.345CS..G310 helixtrans-113.915.7179.460.9163.4000112.7I252 N253 P269 V271 F272I252-I255 HydrophobicContact CB-CD1 3.99Å; I252-I255 HydrophobicContact CB-CG1 3.85Å; I252-I255 HydrophobicContact CD1-CD1 3.93Å; I252-I255 HydrophobicContact CD1-CG1 4.28Å; I252-I255 HydrophobicContact CG1-CD1 4.42Å; I252-I255 HydrophobicContact CG1-CG1 4.34Å; I252-I255 WeakPolarHBondContact O-CG1 3.32Å; I252-I255 PolarHBondContact O-N 2.69Å; N253-I255 PolarHBondContact O-N 3.06Å; I255-P269 WeakPolarHBondContact CB-O 3.37Å; I255-P269 HydrophobicContact CG2-CG 4.46Å; I255-P269 VanDerWaalsContact CG2-O 3.28Å; I255-P269 WeakPolarHBondContact CG2-O 3.42Å; I255-V271 HydrophobicContact CB-CB 4.22Å; I255-V271 HydrophobicContact CB-CG2 3.92Å; I255-V271 HydrophobicContact CD1-CB 4.03Å; I255-V271 HydrophobicContact CD1-CG2 3.66Å; I255-V271 HydrophobicContact CG1-CB 4.41Å; I255-V271 HydrophobicContact CG1-CG2 4.27Å; I255-V271 PolarHBondContact O-N 3.29Å; I255-F272 PolarHBondContact O-N 3.28Å
256Y85.1Confident76Confident20 Ų2071.5 Ų71.58%0.07835%0.349CS..EExtended strand (participates in β ladder)trans-120.1133.5-178.8-151.6-66.2000110.7M147 L174 G208 S209 N253 F272M147-Y256 HydrophobicContact CE-CE1 4Å; M147-Y256 VanDerWaalsContact CE-OH 3.25Å; M147-Y256 WeakPolarHBondContact CE-OH 3.46Å; L174-Y256 HydrophobicContact CB-CD1 4.15Å; L174-Y256 HydrophobicContact CB-CD2 3.65Å; L174-Y256 HydrophobicContact CB-CE2 4.12Å; L174-Y256 HydrophobicContact CB-CG 3.67Å; L174-Y256 HydrophobicContact CD2-CD1 3.71Å; L174-Y256 HydrophobicContact CD2-CE1 4.09Å; L174-Y256 HydrophobicContact CD2-CG 4.07Å; L174-Y256 HydrophobicContact CG-CG 4.45Å; G208-Y256 WeakPolarHBondContact CA-OH 3.4Å; S209-Y256 PolarHBondContact N-OH 2.9Å; S209-Y256 WeakPolarHBondContact O-CE2 3.44Å; S209-Y256 WeakPolarHBondContact OG-CE2 3.39Å; S209-Y256 PolarHBondContact OG-OH 3.34Å; N253-Y256 PolarHBondContact O-N 3.29Å; Y256-F272 HydrophobicContact CD1-CB 4.28Å; Y256-F272 HydrophobicContact CD2-CB 3.71Å; Y256-F272 AromaticContact CD2-CD2 3.66Å; Y256-F272 HydrophobicContact CD2-CD2 3.66Å; Y256-F272 HydrophobicContact CD2-CG 4.01Å; Y256-F272 HydrophobicContact CE1-CB 4.26Å; Y256-F272 HydrophobicContact CE2-CB 3.72Å; Y256-F272 AromaticContact CE2-CD2 3.96Å; Y256-F272 HydrophobicContact CE2-CD2 3.96Å; Y256-F272 AromaticContact CE2-CG 3.98Å; Y256-F272 HydrophobicContact CE2-CG 3.98Å; Y256-F272 HydrophobicContact CG-CB 4Å; Y256-F272 HydrophobicContact CG-CD2 4.5Å
257E82.4Confident73.8Confident19 Ų1971.2 Ų71.29%0.08935%0.348CS..EExtended strand (participates in β ladder)trans-125.1111.2176.9179.852.5-109.400110.8Y259 G260 R262 F265 I270 F272 V273 H274E257-Y259 PolarHBondContact OE1-N 3.49Å; E257-Y259 VanDerWaalsContact OE1-N 3.15Å; E257-G260 PolarHBondContact OE1-N 2.81Å; E257-R262 WeakPolarHBondContact OE2-CD 3.22Å; E257-R262 VanDerWaalsContact OE2-CG 3.28Å; E257-R262 WeakPolarHBondContact OE2-CG 3.17Å; E257-R262 IonicContact OE2-CZ 3.61Å; E257-R262 IonicContact OE2-NE 2.72Å; E257-R262 PolarHBondContact OE2-NE 3.05Å; E257-F265 HydrophobicContact CG-CE1 3.91Å; E257-I270 HydrophobicContact CB-CD1 4.22Å; E257-I270 HydrophobicContact CB-CG2 3.75Å; E257-F272 PolarHBondContact N-O 2.98Å; E257-V273 HydrophobicContact CB-CG1 4.41Å; E257-V273 HydrophobicContact CB-CG2 4.27Å; E257-V273 HydrophobicContact CG-CG1 4.28Å; E257-V273 WeakPolarHBondContact O-CA 3.48Å; E257-H274 PolarHBondContact O-N 3.49Å
258S73.1Confident71.8Confident25 Ų2574.2 Ų74.218%0.17536%0.363CS..SBendtrans-90.5-21.8-171.4-59.20000114.3L174L174-S258 WeakPolarHBondContact CD2-OG 3.47Å
259Y63.5Low70.3Confident168 Ų16872.8 Ų72.866%0.65936%0.363SS*.SBendtrans-115.2-7.4-171.2-64.4-78.3000113.8E257 E261E257-Y259 PolarHBondContact OE1-N 3.49Å; E257-Y259 VanDerWaalsContact OE1-N 3.15Å; Y259-E261 PolarHBondContact O-N 2.89Å
260G57.2Low69.5Low24 Ų2471.5 Ų71.525%0.24736%0.359CS..  trans60.714.6177.600000113.8E257E257-G260 PolarHBondContact OE1-N 2.81Å
261E52.8Low69.1Low163 Ų16369.9 Ų69.976%0.76235%0.35SS*.  trans-81.5-18.7-176.8-68.6-171.916700112.5Y259 K263Y259-E261 PolarHBondContact O-N 2.89Å; E261-K263 PolarHBondContact O-N 3.33Å
262R54.1Low69Low125 Ų12566.1 Ų66.147%0.47233%0.333SS..  trans-68.1108.6176.7-71.4-170-170.5-161.8-2.6110.2E257 V264 F265E257-R262 WeakPolarHBondContact OE2-CD 3.22Å; E257-R262 VanDerWaalsContact OE2-CG 3.28Å; E257-R262 WeakPolarHBondContact OE2-CG 3.17Å; E257-R262 IonicContact OE2-CZ 3.61Å; E257-R262 IonicContact OE2-NE 2.72Å; E257-R262 PolarHBondContact OE2-NE 3.05Å; R262-V264 PolarHBondContact O-N 3.01Å; R262-V264 VanDerWaalsContact O-N 3.11Å; R262-F265 WeakPolarHBondContact O-CD2 3.5Å; R262-F265 WeakPolarHBondContact O-CE2 3.46Å; R262-F265 WeakPolarHBondContact O-CZ 3.18Å
263K49.9Very low68.8Low204 Ų20465.8 Ų65.889%0.88733%0.331SS*.SBendtrans-60.4-18.9172.3-69-176.9178.7177.50113.1E261E261-K263 PolarHBondContact O-N 3.33Å
264V49.6Very low68.9Low74 Ų7465.7 Ų65.745%0.44833%0.329SS..  trans-11979.5-174.1-1660000109.8R262 F266 D267R262-V264 PolarHBondContact O-N 3.01Å; R262-V264 VanDerWaalsContact O-N 3.11Å; V264-F266 PolarHBondContact O-N 2.96Å; V264-D267 HydrophobicContact CG1-CB 3.91Å; V264-D267 VanDerWaalsContact CG1-CG 3.46Å; V264-D267 WeakPolarHBondContact CG1-OD2 3.49Å
265F51.9Low69Low38 Ų3862 Ų6217%0.16730%0.301CS..  trans-75.6-10.5177-66.3-80.4000113.9E257 R262 I268 I270 V273 L285E257-F265 HydrophobicContact CG-CE1 3.91Å; R262-F265 WeakPolarHBondContact O-CD2 3.5Å; R262-F265 WeakPolarHBondContact O-CE2 3.46Å; R262-F265 WeakPolarHBondContact O-CZ 3.18Å; F265-I268 VanDerWaalsContact O-O 3.1Å; F265-I270 HydrophobicContact CD1-CD1 4.03Å; F265-V273 HydrophobicContact CD1-CG1 4.31Å; F265-V273 HydrophobicContact CD1-CG2 3.92Å; F265-V273 HydrophobicContact CE1-CB 4.49Å; F265-V273 HydrophobicContact CE1-CG1 3.57Å; F265-V273 HydrophobicContact CE1-CG2 4.02Å; F265-V273 HydrophobicContact CZ-CG1 4.18Å; F265-L285 HydrophobicContact CB-CD1 4.05Å; F265-L285 HydrophobicContact CD2-CD1 4.39Å; F265-L285 HydrophobicContact CG-CD1 4.25Å
266F51.5Low68.8Low51 Ų5164 Ų6422%0.22432%0.315CS..THydrogen-bonded Turntrans-106.8-20.6-159.5-58.4-73.7000114.2V264 I268 L285 K288 L292V264-F266 PolarHBondContact O-N 2.96Å; F266-I268 VanDerWaalsContact C-N 3.25Å; F266-L285 HydrophobicContact CE1-CD1 3.61Å; F266-L285 HydrophobicContact CE2-CD1 4.24Å; F266-L285 HydrophobicContact CZ-CD1 3.32Å; F266-K288 HydrophobicContact CD1-CD 4.19Å; F266-K288 HydrophobicContact CD1-CG 3.91Å; F266-K288 HydrophobicContact CD2-CD 3.85Å; F266-K288 HydrophobicContact CD2-CG 4.47Å; F266-K288 HydrophobicContact CE1-CB 3.62Å; F266-K288 HydrophobicContact CE1-CD 3.7Å; F266-K288 HydrophobicContact CE1-CG 3.37Å; F266-K288 HydrophobicContact CE2-CD 3.33Å; F266-K288 HydrophobicContact CE2-CG 4.03Å; F266-K288 HydrophobicContact CG-CD 4.23Å; F266-K288 HydrophobicContact CG-CG 4.39Å; F266-K288 HydrophobicContact CZ-CB 3.61Å; F266-K288 HydrophobicContact CZ-CD 3.22Å; F266-K288 HydrophobicContact CZ-CG 3.43Å; F266-K288 VanDerWaalsContact CZ-CG 3.43Å; F266-L292 HydrophobicContact CB-CD1 3.82Å; F266-L292 HydrophobicContact CD1-CD1 3.26Å; F266-L292 HydrophobicContact CE1-CD1 4.12Å; F266-L292 HydrophobicContact CG-CD1 3.86Å
267D51.4Low68.5Low135 Ų13566.8 Ų66.872%0.72235%0.351SS*.THydrogen-bonded Turntrans-84.1-8177.9-61-9.6000111.6V264V264-D267 HydrophobicContact CG1-CB 3.91Å; V264-D267 VanDerWaalsContact CG1-CG 3.46Å; V264-D267 WeakPolarHBondContact CG1-OD2 3.49Å
268I54.8Low68.6Low65 Ų6567.4 Ų67.433%0.33336%0.357SS..THydrogen-bonded Turntrans-127.1136.8-178.7-54.4176.3000106.7F265 F266 I270F265-I268 VanDerWaalsContact O-O 3.1Å; F266-I268 VanDerWaalsContact C-N 3.25Å; I268-I270 HydrophobicContact CB-CG1 4.17Å; I268-I270 HydrophobicContact CG2-CG1 4.08Å; I268-I270 PolarHBondContact O-N 2.8Å
269P65.9Low69.3Low72 Ų7268.8 Ų68.847%0.46836%0.362SS..THydrogen-bonded Turntrans-73.662.3-178.132.3-36.7000111I255 V271I255-P269 WeakPolarHBondContact CB-O 3.37Å; I255-P269 HydrophobicContact CG2-CG 4.46Å; I255-P269 VanDerWaalsContact CG2-O 3.28Å; I255-P269 WeakPolarHBondContact CG2-O 3.42Å; P269-V271 PolarHBondContact O-N 3.19Å
270I79.1Confident70.6Confident8 Ų867 Ų674%0.04136%0.364CS..  trans-70122.9175.8-59.7175.6000107.3E257 F265 I268 F272 V273E257-I270 HydrophobicContact CB-CD1 4.22Å; E257-I270 HydrophobicContact CB-CG2 3.75Å; F265-I270 HydrophobicContact CD1-CD1 4.03Å; I268-I270 HydrophobicContact CB-CG1 4.17Å; I268-I270 HydrophobicContact CG2-CG1 4.08Å; I268-I270 PolarHBondContact O-N 2.8Å; I270-F272 WeakPolarHBondContact CG2-O 3.33Å; I270-V273 HydrophobicContact CG2-CG2 3.55Å
271V87.4Confident72.1Confident3 Ų372.6 Ų72.62%0.01838%0.381CS..  trans-95.7-40-178.1175.90000111V149 N150 I154 I255 P269V149-V271 CarbonylContact C-O 3.59Å; V149-V271 VanDerWaalsContact CA-O 3.31Å; V149-V271 WeakPolarHBondContact CA-O 3.38Å; N150-V271 PolarHBondContact N-O 3.47Å; I154-V271 HydrophobicContact CB-CG1 3.65Å; I154-V271 HydrophobicContact CD1-CG1 4.1Å; I154-V271 HydrophobicContact CG1-CG1 4.24Å; I255-V271 HydrophobicContact CB-CB 4.22Å; I255-V271 HydrophobicContact CB-CG2 3.92Å; I255-V271 HydrophobicContact CD1-CB 4.03Å; I255-V271 HydrophobicContact CD1-CG2 3.66Å; I255-V271 HydrophobicContact CG1-CB 4.41Å; I255-V271 HydrophobicContact CG1-CG2 4.27Å; I255-V271 PolarHBondContact O-N 3.29Å; P269-V271 PolarHBondContact O-N 3.19Å
272F91.5Very high73.8Confident0 Ų065.3 Ų65.30%035%0.347CS..EExtended strand (participates in β ladder)trans-122130.7-175.2-58.7-67.3000110.2L141 M147 V149 I154 S209 I252 I255 Y256 E257 I270L141-F272 HydrophobicContact CD1-CE1 3.81Å; L141-F272 HydrophobicContact CD1-CZ 3.76Å; M147-F272 HydrophobicContact CE-CB 3.83Å; V149-F272 HydrophobicContact CG1-CD1 4.25Å; V149-F272 HydrophobicContact CG1-CE1 3.88Å; V149-F272 HydrophobicContact CG2-CD1 4.09Å; V149-F272 HydrophobicContact CG2-CE1 4.18Å; I154-F272 HydrophobicContact CD1-CE2 4.08Å; I154-F272 HydrophobicContact CD1-CZ 3.74Å; I154-F272 HydrophobicContact CG1-CZ 4.05Å; S209-F272 WeakPolarHBondContact OG-CD1 3.36Å; S209-F272 WeakPolarHBondContact OG-CE1 3.41Å; S209-F272 WeakPolarHBondContact OG-CG 3.44Å; I252-F272 HydrophobicContact CD1-CE2 4.09Å; I255-F272 PolarHBondContact O-N 3.28Å; Y256-F272 HydrophobicContact CD1-CB 4.28Å; Y256-F272 HydrophobicContact CD2-CB 3.71Å; Y256-F272 AromaticContact CD2-CD2 3.66Å; Y256-F272 HydrophobicContact CD2-CD2 3.66Å; Y256-F272 HydrophobicContact CD2-CG 4.01Å; Y256-F272 HydrophobicContact CE1-CB 4.26Å; Y256-F272 HydrophobicContact CE2-CB 3.72Å; Y256-F272 AromaticContact CE2-CD2 3.96Å; Y256-F272 HydrophobicContact CE2-CD2 3.96Å; Y256-F272 AromaticContact CE2-CG 3.98Å; Y256-F272 HydrophobicContact CE2-CG 3.98Å; Y256-F272 HydrophobicContact CG-CB 4Å; Y256-F272 HydrophobicContact CG-CD2 4.5Å; E257-F272 PolarHBondContact N-O 2.98Å; I270-F272 WeakPolarHBondContact CG2-O 3.33Å
273V89.2Confident75.6Confident1 Ų164.2 Ų64.21%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-134124.9174.6-169.20000109.6M147 Y148 E257 F265 I270 L275 L285M147-V273 WeakPolarHBondContact CA-O 3.39Å; Y148-V273 HydrophobicContact CD1-CB 4.02Å; Y148-V273 HydrophobicContact CD1-CG2 3.76Å; Y148-V273 HydrophobicContact CE1-CG2 4.32Å; Y148-V273 PolarHBondContact N-O 3.49Å; Y148-V273 PolarHBondContact O-N 3.02Å; Y148-V273 VanDerWaalsContact O-N 3.1Å; E257-V273 HydrophobicContact CB-CG1 4.41Å; E257-V273 HydrophobicContact CB-CG2 4.27Å; E257-V273 HydrophobicContact CG-CG1 4.28Å; E257-V273 WeakPolarHBondContact O-CA 3.48Å; F265-V273 HydrophobicContact CD1-CG1 4.31Å; F265-V273 HydrophobicContact CD1-CG2 3.92Å; F265-V273 HydrophobicContact CE1-CB 4.49Å; F265-V273 HydrophobicContact CE1-CG1 3.57Å; F265-V273 HydrophobicContact CE1-CG2 4.02Å; F265-V273 HydrophobicContact CZ-CG1 4.18Å; I270-V273 HydrophobicContact CG2-CG2 3.55Å; V273-L275 HydrophobicContact CB-CG 4.44Å; V273-L275 HydrophobicContact CG1-CD1 4.2Å; V273-L275 HydrophobicContact CG1-CD2 4.05Å; V273-L275 HydrophobicContact CG1-CG 3.82Å; V273-L285 HydrophobicContact CB-CD2 4.32Å; V273-L285 HydrophobicContact CG2-CD2 4.11Å
274H88.5Confident77.5Confident60 Ų6057.2 Ų57.228%0.27832%0.324SS..EExtended strand (participates in β ladder)trans-79.4121172.2-171.8-131.5000110.7D146 M147 E257D146-H274 VanDerWaalsContact CG-NE2 3.28Å; D146-H274 IonicContact OD1-CD2 2.98Å; D146-H274 PolarHBondContact OD1-CD2 3.04Å; D146-H274 IonicContact OD1-NE2 2.71Å; D146-H274 PolarHBondContact OD1-NE2 3.48Å; D146-H274 IonicContact OD2-CD2 2.69Å; D146-H274 IonicContact OD2-CE1 3.61Å; D146-H274 IonicContact OD2-NE2 3.63Å; D146-H274 PolarHBondContact OD2-NE2 3.17Å; M147-H274 HydrophobicContact CE-CB 4.46Å; M147-H274 VanDerWaalsContact SD-CA 3.52Å; M147-H274 HydrophobicContact SD-CB 3.66Å; M147-H274 VanDerWaalsContact SD-CD2 3.59Å; E257-H274 PolarHBondContact O-N 3.49Å
275L85.2Confident79.3Confident23 Ų2354.3 Ų54.312%0.1231%0.306CS..  trans-136.767.1-176.1-69.2175.6000111.6D146 V273 G277 R282 L285D146-L275 CarbonylContact O-C 3.47Å; D146-L275 PolarHBondContact O-N 3.4Å; D146-L275 VanDerWaalsContact O-N 3.08Å; V273-L275 HydrophobicContact CB-CG 4.44Å; V273-L275 HydrophobicContact CG1-CD1 4.2Å; V273-L275 HydrophobicContact CG1-CD2 4.05Å; V273-L275 HydrophobicContact CG1-CG 3.82Å; L275-G277 VanDerWaalsContact C-N 3.34Å; L275-G277 PolarHBondContact O-N 2.89Å; L275-R282 HydrophobicContact CB-CG 3.65Å; L275-R282 HydrophobicContact CD1-CG 3.78Å; L275-R282 HydrophobicContact CG-CG 4.37Å; L275-R282 PolarHBondContact O-NE 3.28Å; L275-L285 HydrophobicContact CD1-CD2 3.81Å
276P80.3Confident81.2Confident65 Ų6552.9 Ų52.942%0.42230%0.299SS..THydrogen-bonded Turntrans-62.4-36.5-17023-33.1000114
277G79.3Confident83.1Confident80 Ų8055.2 Ų55.283%0.82531%0.309SS*.THydrogen-bonded Turntrans-88.1-8-165.500000117.2L275L275-G277 VanDerWaalsContact C-N 3.34Å; L275-G277 PolarHBondContact O-N 2.89Å
278S83.5Confident84.8Confident32 Ų3253.1 Ų53.122%0.22429%0.294CS..  trans-154.8115.9-174.3-174.90000114.9N280 K281 R282S278-N280 PolarHBondContact O-N 3.2Å; S278-N280 PolarHBondContact OG-N 3.21Å; S278-K281 PolarHBondContact O-N 3.42Å; S278-K281 PolarHBondContact OG-N 3.01Å; S278-K281 VanDerWaalsContact OG-N 3.11Å; S278-R282 PolarHBondContact O-N 3Å
279L88.8Confident86.4Confident54 Ų5450.3 Ų50.328%0.28328%0.28SS..Hα-helixtrans-59.4-37.9166.5-69.4173.4000111.4K58 R59 L62 R282 Y283K58-L279 HydrophobicContact CB-CD1 3.9Å; R59-L279 HydrophobicContact CG-CD2 4.04Å; L62-L279 HydrophobicContact CB-CD2 4.18Å; L62-L279 HydrophobicContact CD2-CB 3.99Å; L62-L279 HydrophobicContact CD2-CD2 3.45Å; L62-L279 VanDerWaalsContact CD2-CD2 3.45Å; L62-L279 HydrophobicContact CD2-CG 4.33Å; L62-L279 WeakPolarHBondContact CD2-O 3.38Å; L62-L279 HydrophobicContact CG-CD2 4.45Å; L279-R282 PolarHBondContact O-N 3.24Å; L279-Y283 WeakPolarHBondContact O-CB 3.37Å; L279-Y283 PolarHBondContact O-N 3.18Å
280N90.3Very high87.5Confident129 Ų12949.4 Ų49.469%0.6927%0.27SS*.Hα-helixtrans-65.7-42.4-179.6-68.7-10.8000111.6S278 R282 Y283 A284S278-N280 PolarHBondContact O-N 3.2Å; S278-N280 PolarHBondContact OG-N 3.21Å; N280-R282 VanDerWaalsContact C-N 3.34Å; N280-R282 PolarHBondContact O-N 3.15Å; N280-Y283 PolarHBondContact O-N 3.01Å; N280-A284 WeakPolarHBondContact O-CB 3.15Å; N280-A284 PolarHBondContact O-N 3.46Å
281K88.1Confident87.9Confident143 Ų14354.6 Ų54.662%0.62230%0.295SS*.Hα-helixtrans-60.7-44.3174.8-70.7-175.7178.3-176.90111.3S278 Y283 A284 L285S278-K281 PolarHBondContact O-N 3.42Å; S278-K281 PolarHBondContact OG-N 3.01Å; S278-K281 VanDerWaalsContact OG-N 3.11Å; K281-Y283 PolarHBondContact O-N 2.74Å; K281-A284 PolarHBondContact O-N 3.45Å; K281-L285 WeakPolarHBondContact O-CB 3.27Å; K281-L285 PolarHBondContact O-N 2.84Å
282R89.3Confident87.6Confident10 Ų1057.4 Ų57.44%0.03831%0.309CS..Hα-helixtrans-61.3-43.6176.2-75.4-175.6-84.1164.1-18.4112.4L62 D145 L275 S278 L279 N280 L285 W286L62-R282 HydrophobicContact CD2-CB 3.96Å; D145-R282 PolarHBondContact O-NH1 3.41Å; L275-R282 HydrophobicContact CB-CG 3.65Å; L275-R282 HydrophobicContact CD1-CG 3.78Å; L275-R282 HydrophobicContact CG-CG 4.37Å; L275-R282 PolarHBondContact O-NE 3.28Å; S278-R282 PolarHBondContact O-N 3Å; L279-R282 PolarHBondContact O-N 3.24Å; N280-R282 VanDerWaalsContact C-N 3.34Å; N280-R282 PolarHBondContact O-N 3.15Å; R282-L285 PolarHBondContact O-N 3.35Å; R282-W286 PolarHBondContact O-N 3.09Å
283Y92Very high87.2Confident101 Ų10157.5 Ų57.540%0.39631%0.31SS..Hα-helixtrans-66.3-40.9177.1-172.1-121.7000112.6L62 T66 L279 N280 K281 W286 K287L62-Y283 HydrophobicContact CD1-CD2 3.75Å; L62-Y283 HydrophobicContact CD1-CG 4.15Å; T66-Y283 HydrophobicContact CG2-CD2 3.79Å; T66-Y283 HydrophobicContact CG2-CE2 4.31Å; L279-Y283 WeakPolarHBondContact O-CB 3.37Å; L279-Y283 PolarHBondContact O-N 3.18Å; N280-Y283 PolarHBondContact O-N 3.01Å; K281-Y283 PolarHBondContact O-N 2.74Å; Y283-W286 WeakPolarHBondContact O-CB 3.22Å; Y283-W286 PolarHBondContact O-N 3.14Å; Y283-K287 HydrophobicContact CE1-CD 4.25Å; Y283-K287 HydrophobicContact CE1-CG 4.43Å; Y283-K287 PolarHBondContact O-N 2.95Å; Y283-K287 VanDerWaalsContact OH-CE 3.32Å; Y283-K287 WeakPolarHBondContact OH-CE 3.47Å
284A89.7Confident86.8Confident58 Ų5865.5 Ų65.548%0.47935%0.345SS..Hα-helixtrans-63.7-44176.400000111.7N280 K281 W286 K287 K288N280-A284 WeakPolarHBondContact O-CB 3.15Å; N280-A284 PolarHBondContact O-N 3.46Å; K281-A284 PolarHBondContact O-N 3.45Å; A284-W286 VanDerWaalsContact C-N 3.29Å; A284-W286 PolarHBondContact O-N 2.8Å; A284-K287 PolarHBondContact O-N 3.46Å; A284-K288 PolarHBondContact O-N 2.94Å
285L88.1Confident86.4Confident13 Ų1368.1 Ų68.17%0.06837%0.365CS..Hα-helixtrans-60.4-41.1175-174.555.4000111.1Y148 F265 F266 V273 L275 K281 R282 K288 T289Y148-L285 HydrophobicContact CD1-CD2 3.49Å; Y148-L285 VanDerWaalsContact CD1-CD2 3.49Å; Y148-L285 HydrophobicContact CD1-CG 4.12Å; Y148-L285 HydrophobicContact CD2-CB 4.08Å; Y148-L285 HydrophobicContact CD2-CD2 3.7Å; Y148-L285 HydrophobicContact CD2-CG 3.69Å; Y148-L285 HydrophobicContact CE1-CD2 3.87Å; Y148-L285 HydrophobicContact CE1-CG 4.08Å; Y148-L285 HydrophobicContact CE2-CB 4.21Å; Y148-L285 HydrophobicContact CE2-CD2 4.04Å; Y148-L285 HydrophobicContact CE2-CG 3.62Å; Y148-L285 HydrophobicContact CG-CD2 3.4Å; Y148-L285 VanDerWaalsContact CG-CD2 3.4Å; Y148-L285 HydrophobicContact CG-CG 3.95Å; F265-L285 HydrophobicContact CB-CD1 4.05Å; F265-L285 HydrophobicContact CD2-CD1 4.39Å; F265-L285 HydrophobicContact CG-CD1 4.25Å; F266-L285 HydrophobicContact CE1-CD1 3.61Å; F266-L285 HydrophobicContact CE2-CD1 4.24Å; F266-L285 HydrophobicContact CZ-CD1 3.32Å; V273-L285 HydrophobicContact CB-CD2 4.32Å; V273-L285 HydrophobicContact CG2-CD2 4.11Å; L275-L285 HydrophobicContact CD1-CD2 3.81Å; K281-L285 WeakPolarHBondContact O-CB 3.27Å; K281-L285 PolarHBondContact O-N 2.84Å; R282-L285 PolarHBondContact O-N 3.35Å; L285-K288 PolarHBondContact O-N 3.05Å; L285-T289 PolarHBondContact O-N 2.71Å; L285-T289 PolarHBondContact O-OG1 3.25Å
286W91.2Very high86.1Confident8 Ų873.7 Ų73.73%0.0339%0.392CS..Hα-helixtrans-63-45.7173.9-178.3-108.1000113.5T66 W67 F72 Y148 F152 R282 Y283 A284 K288 T289 L290T66-W286 VanDerWaalsContact C-CE2 3.45Å; T66-W286 HydrophobicContact CG2-CB 3.93Å; T66-W286 HydrophobicContact CG2-CD2 4.46Å; T66-W286 HydrophobicContact CG2-CG 3.67Å; T66-W286 VanDerWaalsContact O-CZ2 3.24Å; T66-W286 WeakPolarHBondContact O-CZ2 3.41Å; W67-W286 HydrophobicContact CB-CE3 4Å; W67-W286 HydrophobicContact CB-CH2 4.28Å; W67-W286 HydrophobicContact CB-CZ3 3.75Å; F72-W286 AromaticContact CE2-CH2 3.54Å; F72-W286 HydrophobicContact CE2-CH2 3.54Å; F72-W286 AromaticContact CE2-CZ2 3.67Å; F72-W286 HydrophobicContact CE2-CZ2 3.67Å; F72-W286 AromaticContact CZ-CH2 3.53Å; F72-W286 HydrophobicContact CZ-CH2 3.53Å; F72-W286 AromaticContact CZ-CZ2 3.54Å; F72-W286 HydrophobicContact CZ-CZ2 3.54Å; Y148-W286 HydrophobicContact CE2-CB 4.47Å; Y148-W286 HydrophobicContact CE2-CE3 4.09Å; F152-W286 AromaticContact CE2-CH2 3.88Å; F152-W286 HydrophobicContact CE2-CH2 3.88Å; F152-W286 HydrophobicContact CE2-CZ3 4.36Å; F152-W286 HydrophobicContact CZ-CH2 4.28Å; R282-W286 PolarHBondContact O-N 3.09Å; Y283-W286 WeakPolarHBondContact O-CB 3.22Å; Y283-W286 PolarHBondContact O-N 3.14Å; A284-W286 VanDerWaalsContact C-N 3.29Å; A284-W286 PolarHBondContact O-N 2.8Å; W286-K288 VanDerWaalsContact C-N 3.32Å; W286-K288 PolarHBondContact O-N 2.96Å; W286-T289 HydrophobicContact CZ3-CG2 4.38Å; W286-T289 WeakPolarHBondContact O-CA 3.2Å; W286-T289 VanDerWaalsContact O-CB 3.25Å; W286-T289 WeakPolarHBondContact O-CB 3.44Å; W286-T289 PolarHBondContact O-N 3.34Å; W286-T289 VanDerWaalsContact O-N 3.09Å; W286-L290 HydrophobicContact CH2-CD2 4.45Å; W286-L290 HydrophobicContact CZ2-CD2 3.79Å; W286-L290 HydrophobicContact CZ2-CG 4.21Å; W286-L290 PolarHBondContact O-N 2.86Å
287K91.4Very high86Confident99 Ų9974.5 Ų74.543%0.4339%0.393SS..Hα-helixtrans-56.8-47.1176.3-76.2-164.9-175.3-174.80111.8Y283 A284 T289 L290 E291Y283-K287 HydrophobicContact CE1-CD 4.25Å; Y283-K287 HydrophobicContact CE1-CG 4.43Å; Y283-K287 PolarHBondContact O-N 2.95Å; Y283-K287 VanDerWaalsContact OH-CE 3.32Å; Y283-K287 WeakPolarHBondContact OH-CE 3.47Å; A284-K287 PolarHBondContact O-N 3.46Å; K287-T289 PolarHBondContact O-N 2.93Å; K287-L290 WeakPolarHBondContact O-CB 3.48Å; K287-L290 PolarHBondContact O-N 3.25Å; K287-E291 PolarHBondContact O-N 3.25Å
288K87.4Confident86Confident91 Ų9172.5 Ų72.540%0.39637%0.366SS..Hα-helixtrans-65.5-30.7178.7-169.3159.1164.5-171.50112.4F266 A284 L285 W286 E291 L292F266-K288 HydrophobicContact CD1-CD 4.19Å; F266-K288 HydrophobicContact CD1-CG 3.91Å; F266-K288 HydrophobicContact CD2-CD 3.85Å; F266-K288 HydrophobicContact CD2-CG 4.47Å; F266-K288 HydrophobicContact CE1-CB 3.62Å; F266-K288 HydrophobicContact CE1-CD 3.7Å; F266-K288 HydrophobicContact CE1-CG 3.37Å; F266-K288 HydrophobicContact CE2-CD 3.33Å; F266-K288 HydrophobicContact CE2-CG 4.03Å; F266-K288 HydrophobicContact CG-CD 4.23Å; F266-K288 HydrophobicContact CG-CG 4.39Å; F266-K288 HydrophobicContact CZ-CB 3.61Å; F266-K288 HydrophobicContact CZ-CD 3.22Å; F266-K288 HydrophobicContact CZ-CG 3.43Å; F266-K288 VanDerWaalsContact CZ-CG 3.43Å; A284-K288 PolarHBondContact O-N 2.94Å; L285-K288 PolarHBondContact O-N 3.05Å; W286-K288 VanDerWaalsContact C-N 3.32Å; W286-K288 PolarHBondContact O-N 2.96Å; K288-E291 PolarHBondContact O-N 3.11Å; K288-L292 HydrophobicContact CG-CD1 4.47Å; K288-L292 WeakPolarHBondContact O-CG 3.2Å; K288-L292 PolarHBondContact O-N 3.49Å; K288-L292 VanDerWaalsContact O-N 3.07Å
289T88.6Confident85.5Confident6 Ų675.1 Ų75.14%0.03737%0.372CS..Hα-helixtrans-64.1-43171.2-50.80000111.4Y148 F152 L285 W286 K287 E291 L292 C293Y148-T289 WeakPolarHBondContact OH-CG2 3.25Å; Y148-T289 PolarHBondContact OH-OG1 3.37Å; F152-T289 HydrophobicContact CD2-CG2 3.96Å; F152-T289 HydrophobicContact CE2-CG2 4.12Å; L285-T289 PolarHBondContact O-N 2.71Å; L285-T289 PolarHBondContact O-OG1 3.25Å; W286-T289 HydrophobicContact CZ3-CG2 4.38Å; W286-T289 WeakPolarHBondContact O-CA 3.2Å; W286-T289 VanDerWaalsContact O-CB 3.25Å; W286-T289 WeakPolarHBondContact O-CB 3.44Å; W286-T289 PolarHBondContact O-N 3.34Å; W286-T289 VanDerWaalsContact O-N 3.09Å; K287-T289 PolarHBondContact O-N 2.93Å; T289-E291 VanDerWaalsContact C-N 3.35Å; T289-L292 PolarHBondContact O-N 3.02Å; T289-C293 WeakPolarHBondContact O-CB 3.35Å; T289-C293 PolarHBondContact O-N 3.16Å
290L89.2Confident84.5Confident53 Ų5380.4 Ų80.428%0.27740%0.4SS..Hα-helixtrans-65-38176.2-69.1177.1000112.2F152 W286 K287 C293 K294F152-L290 HydrophobicContact CE2-CD2 4.13Å; F152-L290 HydrophobicContact CZ-CD2 3.97Å; W286-L290 HydrophobicContact CH2-CD2 4.45Å; W286-L290 HydrophobicContact CZ2-CD2 3.79Å; W286-L290 HydrophobicContact CZ2-CG 4.21Å; W286-L290 PolarHBondContact O-N 2.86Å; K287-L290 WeakPolarHBondContact O-CB 3.48Å; K287-L290 PolarHBondContact O-N 3.25Å; L290-C293 PolarHBondContact O-N 3.14Å; L290-K294 WeakPolarHBondContact O-CG 3.17Å; L290-K294 PolarHBondContact O-N 3.23Å; L290-K294 VanDerWaalsContact O-N 3.1Å
291E86.7Confident84.2Confident118 Ų11878 Ų7855%0.55139%0.386SS*.Hα-helixtrans-61.5-49.2175.5-72165.6-171.600111.4K287 K288 T289 C293 K294 T295K287-E291 PolarHBondContact O-N 3.25Å; K288-E291 PolarHBondContact O-N 3.11Å; T289-E291 VanDerWaalsContact C-N 3.35Å; E291-C293 VanDerWaalsContact C-N 3.32Å; E291-C293 PolarHBondContact O-N 3.04Å; E291-K294 PolarHBondContact O-N 3.29Å; E291-T295 PolarHBondContact O-N 3.36Å
292L82.3Confident84Confident62 Ų6274.6 Ų74.633%0.32537%0.373SS..Hα-helixtrans-65.6-36.2176-68.1166.9000112.5F266 K288 T289 K294 T295 M296F266-L292 HydrophobicContact CB-CD1 3.82Å; F266-L292 HydrophobicContact CD1-CD1 3.26Å; F266-L292 HydrophobicContact CE1-CD1 4.12Å; F266-L292 HydrophobicContact CG-CD1 3.86Å; K288-L292 HydrophobicContact CG-CD1 4.47Å; K288-L292 WeakPolarHBondContact O-CG 3.2Å; K288-L292 PolarHBondContact O-N 3.49Å; K288-L292 VanDerWaalsContact O-N 3.07Å; T289-L292 PolarHBondContact O-N 3.02Å; L292-K294 PolarHBondContact O-N 2.98Å; L292-T295 PolarHBondContact O-N 3.47Å; L292-T295 PolarHBondContact O-OG1 2.85Å; L292-M296 WeakPolarHBondContact O-CB 3.24Å; L292-M296 WeakPolarHBondContact O-CG 3.36Å; L292-M296 PolarHBondContact O-N 2.88Å
293C82.5Confident83.7Confident2 Ų278.2 Ų78.21%0.01439%0.392CS..Hα-helixtrans-62.9-34177.5179.50000112.2F152 T289 L290 E291 D297 C298 Y299F152-C293 HydrophobicContact CD2-CB 4.1Å; F152-C293 WeakPolarHBondContact CE1-SG 3.26Å; F152-C293 HydrophobicContact CE2-CB 3.87Å; F152-C293 HydrophobicContact CZ-CB 4.17Å; F152-C293 VanDerWaalsContact CZ-SG 3.53Å; T289-C293 WeakPolarHBondContact O-CB 3.35Å; T289-C293 PolarHBondContact O-N 3.16Å; L290-C293 PolarHBondContact O-N 3.14Å; E291-C293 VanDerWaalsContact C-N 3.32Å; E291-C293 PolarHBondContact O-N 3.04Å; C293-D297 WeakPolarHBondContact O-CA 3.18Å; C293-D297 PolarHBondContact O-N 3.01Å; C293-D297 VanDerWaalsContact O-N 3.08Å; C293-C298 HydrophobicContact CB-CB 4.34Å; C293-C298 PolarHBondContact O-N 3.25Å; C293-C298 VanDerWaalsContact O-N 3.11Å; C293-C298 WeakPolarHBondContact SG-CB 3.34Å; C293-Y299 VanDerWaalsContact SG-CD2 3.56Å; C293-Y299 WeakPolarHBondContact SG-CE2 3.39Å
294K81.4Confident83.2Confident169 Ų16976.8 Ų76.874%0.73539%0.392SS*.Hα-helixtrans-68.9-37.5175.6-73.5175-179.3-175.30111.9L290 E291 L292L290-K294 WeakPolarHBondContact O-CG 3.17Å; L290-K294 PolarHBondContact O-N 3.23Å; L290-K294 VanDerWaalsContact O-N 3.1Å; E291-K294 PolarHBondContact O-N 3.29Å; L292-K294 PolarHBondContact O-N 2.98Å
295T78.9Confident82.8Confident114 Ų11478 Ų7870%0.69939%0.386SS*.Hα-helixtrans-76.4-31.6179.555.50000112.6E291 L292E291-T295 PolarHBondContact O-N 3.36Å; L292-T295 PolarHBondContact O-N 3.47Å; L292-T295 PolarHBondContact O-OG1 2.85Å
296M78.5Confident82.4Confident141 Ų14182.3 Ų82.370%0.69541%0.407SS*.THydrogen-bonded Turntrans-97.14.2-178.4-64.3-172.775.900114.5L292 C298L292-M296 WeakPolarHBondContact O-CB 3.24Å; L292-M296 WeakPolarHBondContact O-CG 3.36Å; L292-M296 PolarHBondContact O-N 2.88Å; M296-C298 VanDerWaalsContact C-N 3.32Å; M296-C298 PolarHBondContact O-N 3.38Å
297D78.8Confident81.8Confident81 Ų8187.6 Ų87.643%0.43343%0.434SS..THydrogen-bonded Turntrans4746.4-175-165.918.8000114.2C293 Y299 N300C293-D297 WeakPolarHBondContact O-CA 3.18Å; C293-D297 PolarHBondContact O-N 3.01Å; C293-D297 VanDerWaalsContact O-N 3.08Å; D297-Y299 PolarHBondContact O-N 3.05Å; D297-N300 VanDerWaalsContact CG-ND2 3.28Å; D297-N300 PolarHBondContact O-N 3.16Å; D297-N300 PolarHBondContact OD1-ND2 2.87Å; D297-N300 WeakPolarHBondContact OD2-CB 3.28Å; D297-N300 PolarHBondContact OD2-ND2 2.87Å
298C80.1Confident81Confident39 Ų3986.8 Ų86.826%0.26443%0.434SS..THydrogen-bonded Turntrans-71.42.2-175.2-40.80000114.5F152 C293 M296F152-C298 HydrophobicContact CB-CB 3.78Å; F152-C298 HydrophobicContact CD1-CB 4.04Å; F152-C298 HydrophobicContact CG-CB 3.96Å; C293-C298 HydrophobicContact CB-CB 4.34Å; C293-C298 PolarHBondContact O-N 3.25Å; C293-C298 VanDerWaalsContact O-N 3.11Å; C293-C298 WeakPolarHBondContact SG-CB 3.34Å; M296-C298 VanDerWaalsContact C-N 3.32Å; M296-C298 PolarHBondContact O-N 3.38Å
299Y72.8Confident80.5Confident87 Ų8786.4 Ų86.434%0.34144%0.438SS..THydrogen-bonded Turntrans-78.6-29.8168-69.6-86.1000110.3F72 K75 F76 F152 C293 D297F72-Y299 HydrophobicContact CE1-CE1 4.09Å; K75-Y299 WeakPolarHBondContact CE-O 3.46Å; K75-Y299 PolarHBondContact NZ-O 3.44Å; F76-Y299 HydrophobicContact CZ-CD1 4.46Å; F152-Y299 HydrophobicContact CE1-CD1 4.16Å; F152-Y299 HydrophobicContact CE1-CD2 4.45Å; F152-Y299 AromaticContact CE1-CE1 3.66Å; F152-Y299 HydrophobicContact CE1-CE1 3.66Å; F152-Y299 AromaticContact CE1-CE2 3.98Å; F152-Y299 HydrophobicContact CE1-CE2 3.98Å; F152-Y299 AromaticContact CE1-CZ 3.55Å; F152-Y299 HydrophobicContact CZ-CE1 4.24Å; F152-Y299 HydrophobicContact CZ-CE2 4.2Å; F152-Y299 AromaticContact CZ-CZ 3.73Å; F152-Y299 WeakPolarHBondContact CZ-OH 3.44Å; C293-Y299 VanDerWaalsContact SG-CD2 3.56Å; C293-Y299 WeakPolarHBondContact SG-CE2 3.39Å; D297-Y299 PolarHBondContact O-N 3.05Å
300N66.5Low79.8Confident165 Ų16593.7 Ų93.788%0.88247%0.474SS*.  trans-97.20-179.4-62.1-37.3000112.8K75 D297K75-N300 PolarHBondContact NZ-OD1 3.02Å; D297-N300 VanDerWaalsContact CG-ND2 3.28Å; D297-N300 PolarHBondContact O-N 3.16Å; D297-N300 PolarHBondContact OD1-ND2 2.87Å; D297-N300 WeakPolarHBondContact OD2-CB 3.28Å; D297-N300 PolarHBondContact OD2-ND2 2.87Å

Retrieved 300 of 300 residues in 101.4 ms (Link to these results)

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