A0A3Q0KCB6_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KCB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 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
1M93.3Very high96.5Very high40 Ų4044.8 Ų44.820%0.19721%0.21CC..  0-520-158.260.3-157.200112.9Q3 I4 I5 C84 L88 L91 M136 W155 I156M1-Q3 PolarHBondContact O-N 3.25Å; M1-I4 HydrophobicContact CE-CB 4.47Å; M1-I4 HydrophobicContact CE-CG2 4.37Å; M1-I4 WeakPolarHBondContact O-CA 3.32Å; M1-I4 WeakPolarHBondContact O-CB 3.45Å; M1-I4 PolarHBondContact O-N 3.33Å; M1-I4 HydrophobicContact SD-CB 4.5Å; M1-I4 HydrophobicContact SD-CD1 4.06Å; M1-I5 HydrophobicContact CE-CD1 4.16Å; M1-I5 HydrophobicContact CE-CG1 3.7Å; M1-I5 HydrophobicContact CG-CD1 3.87Å; M1-I5 HydrophobicContact CG-CG1 4.14Å; M1-I5 PolarHBondContact O-N 3.29Å; M1-C84 HydrophobicContact CE-CB 3.49Å; M1-C84 VanDerWaalsContact CE-CB 3.49Å; M1-C84 WeakPolarHBondContact CE-O 3.2Å; M1-L88 HydrophobicContact CB-CD1 4.4Å; M1-L88 HydrophobicContact CE-CB 4.44Å; M1-L88 HydrophobicContact CG-CB 4.49Å; M1-L88 HydrophobicContact CG-CD1 4.17Å; M1-L88 HydrophobicContact SD-CB 4.01Å; M1-L91 HydrophobicContact SD-CD1 4.4Å; M1-M136 HydrophobicContact CE-CE 4.28Å; M1-W155 HydrophobicContact CB-CZ3 4.17Å; M1-W155 HydrophobicContact CG-CZ3 4.41Å; M1-I156 HydrophobicContact CB-CD1 4.24Å; M1-I156 HydrophobicContact CG-CD1 4.33Å
2Q93.3Very high96.7Very high59 Ų5942.3 Ų42.328%0.27620%0.198SC..Hα-helixtrans-47.7-55.8-179.8-179.2-176.4-9.600113.6I4 I5 E6 I156Q2-I4 PolarHBondContact O-N 3.35Å; Q2-I4 VanDerWaalsContact O-N 3.12Å; Q2-I5 PolarHBondContact O-N 3.37Å; Q2-E6 HydrophobicContact CG-CG 4.36Å; Q2-E6 VanDerWaalsContact CG-OE1 3.29Å; Q2-E6 WeakPolarHBondContact CG-OE1 3.28Å; Q2-E6 PolarHBondContact NE2-OE1 2.77Å; Q2-E6 WeakPolarHBondContact O-CG 3.42Å; Q2-E6 PolarHBondContact O-N 3.41Å; Q2-I156 HydrophobicContact CB-CG2 4.16Å; Q2-I156 HydrophobicContact CG-CG2 4.09Å
3Q94.6Very high96.7Very high82 Ų8248.8 Ų48.838%0.38323%0.229SC..Hα-helixtrans-57.4-28.4178-65.3177.952.500114.1M1 S7 A36 V37M1-Q3 PolarHBondContact O-N 3.25Å; Q3-S7 PolarHBondContact O-N 2.81Å; Q3-A36 VanDerWaalsContact OE1-CA 3.25Å; Q3-V37 HydrophobicContact CB-CB 4.22Å
4I96.8Very high96.7Very high8 Ų851.1 Ų51.14%0.04124%0.244CC..Hα-helixtrans-74.1-45.7176.1-56.6168.1000109.6M1 Q2 E6 S7 V8 L26 V37 I87 L91M1-I4 HydrophobicContact CE-CB 4.47Å; M1-I4 HydrophobicContact CE-CG2 4.37Å; M1-I4 WeakPolarHBondContact O-CA 3.32Å; M1-I4 WeakPolarHBondContact O-CB 3.45Å; M1-I4 PolarHBondContact O-N 3.33Å; M1-I4 HydrophobicContact SD-CB 4.5Å; M1-I4 HydrophobicContact SD-CD1 4.06Å; Q2-I4 PolarHBondContact O-N 3.35Å; Q2-I4 VanDerWaalsContact O-N 3.12Å; I4-E6 VanDerWaalsContact C-N 3.3Å; I4-E6 PolarHBondContact O-N 3.13Å; I4-S7 PolarHBondContact O-N 3.05Å; I4-S7 PolarHBondContact O-OG 3.23Å; I4-V8 WeakPolarHBondContact O-CG2 3.43Å; I4-V8 PolarHBondContact O-N 3.2Å; I4-L26 HydrophobicContact CD1-CD1 3.59Å; I4-L26 HydrophobicContact CD1-CD2 4.29Å; I4-L26 HydrophobicContact CG1-CD1 4.24Å; I4-L26 HydrophobicContact CG1-CD2 4.01Å; I4-L26 HydrophobicContact CG2-CD2 4.02Å; I4-V37 HydrophobicContact CG1-CG1 4.08Å; I4-I87 HydrophobicContact CD1-CG2 4.3Å; I4-L91 HydrophobicContact CD1-CD1 4.48Å
5I97Very high96.8Very high3 Ų351.6 Ų51.62%0.01525%0.248CC..Hα-helixtrans-66.9-35.8178.6-53.8171.2000110.2M1 Q2 V8 N9 M136 A147 A150 L151 I156M1-I5 HydrophobicContact CE-CD1 4.16Å; M1-I5 HydrophobicContact CE-CG1 3.7Å; M1-I5 HydrophobicContact CG-CD1 3.87Å; M1-I5 HydrophobicContact CG-CG1 4.14Å; M1-I5 PolarHBondContact O-N 3.29Å; Q2-I5 PolarHBondContact O-N 3.37Å; I5-V8 PolarHBondContact O-N 3.27Å; I5-N9 WeakPolarHBondContact O-CB 3.45Å; I5-N9 PolarHBondContact O-N 3.13Å; I5-M136 HydrophobicContact CD1-CE 3.65Å; I5-M136 HydrophobicContact CG1-CE 4.2Å; I5-A147 HydrophobicContact CG2-CB 4.16Å; I5-A147 WeakPolarHBondContact CG2-O 3.18Å; I5-A150 HydrophobicContact CD1-CB 4.17Å; I5-A150 HydrophobicContact CG2-CB 4.04Å; I5-L151 HydrophobicContact CB-CD2 3.8Å; I5-L151 HydrophobicContact CB-CG 4.27Å; I5-L151 HydrophobicContact CG2-CD1 4.46Å; I5-L151 HydrophobicContact CG2-CD2 3.76Å; I5-L151 HydrophobicContact CG2-CG 3.65Å; I5-I156 HydrophobicContact CD1-CD1 3.89Å; I5-I156 HydrophobicContact CD1-CG1 4.14Å
6E97.1Very high96.8Very high84 Ų8451.6 Ų51.639%0.39325%0.249SC..Hα-helixtrans-59.6-45.9174.6-73.4169.5176.700111.7Q2 I4 N9 Y10 L151Q2-E6 HydrophobicContact CG-CG 4.36Å; Q2-E6 VanDerWaalsContact CG-OE1 3.29Å; Q2-E6 WeakPolarHBondContact CG-OE1 3.28Å; Q2-E6 PolarHBondContact NE2-OE1 2.77Å; Q2-E6 WeakPolarHBondContact O-CG 3.42Å; Q2-E6 PolarHBondContact O-N 3.41Å; I4-E6 VanDerWaalsContact C-N 3.3Å; I4-E6 PolarHBondContact O-N 3.13Å; E6-N9 PolarHBondContact O-N 3.37Å; E6-Y10 WeakPolarHBondContact O-CB 3.44Å; E6-Y10 PolarHBondContact O-N 2.92Å; E6-L151 HydrophobicContact CG-CD1 4.37Å; E6-L151 HydrophobicContact CG-CD2 3.65Å
7S97.6Very high96.8Very high30 Ų3048.5 Ų48.521%0.2123%0.234CC..Hα-helixtrans-68.1-40178.167.40000112.6Q3 I4 Y10 C11Q3-S7 PolarHBondContact O-N 2.81Å; I4-S7 PolarHBondContact O-N 3.05Å; I4-S7 PolarHBondContact O-OG 3.23Å; S7-Y10 PolarHBondContact O-N 3.21Å; S7-C11 PolarHBondContact O-N 3.36Å; S7-C11 PolarHBondContact O-SG 3.49Å
8V98.2Very high96.9Very high2 Ų245.9 Ų45.91%0.01222%0.222CC..Hα-helixtrans-63.6-45.5174.5171.60000111.1I4 I5 Y10 C11 H12 L21 D80 A147I4-V8 WeakPolarHBondContact O-CG2 3.43Å; I4-V8 PolarHBondContact O-N 3.2Å; I5-V8 PolarHBondContact O-N 3.27Å; V8-Y10 VanDerWaalsContact C-N 3.3Å; V8-Y10 PolarHBondContact O-N 3.08Å; V8-C11 WeakPolarHBondContact O-CB 3.2Å; V8-C11 PolarHBondContact O-N 3.48Å; V8-C11 VanDerWaalsContact O-N 3.16Å; V8-H12 WeakPolarHBondContact CG1-CE1 3.42Å; V8-H12 PolarHBondContact O-CD2 3.18Å; V8-H12 VanDerWaalsContact O-CG 3.3Å; V8-H12 PolarHBondContact O-N 2.8Å; V8-L21 HydrophobicContact CG2-CD1 3.61Å; V8-L21 HydrophobicContact CG2-CD2 4.18Å; V8-D80 HydrophobicContact CG1-CB 3.91Å; V8-A147 HydrophobicContact CG1-CB 4.13Å
9N98.1Very high96.9Very high24 Ų2445.5 Ų45.513%0.12822%0.218CC..Hα-helixtrans-60.9-40.8176.9-175.462.2000111.5I5 E6 H12 Q13 A147 A148 L151I5-N9 WeakPolarHBondContact O-CB 3.45Å; I5-N9 PolarHBondContact O-N 3.13Å; E6-N9 PolarHBondContact O-N 3.37Å; N9-H12 PolarHBondContact O-N 3.37Å; N9-Q13 PolarHBondContact ND2-NE2 3.1Å; N9-Q13 WeakPolarHBondContact O-CB 3.44Å; N9-Q13 VanDerWaalsContact O-CG 3.3Å; N9-Q13 WeakPolarHBondContact O-CG 3.21Å; N9-Q13 PolarHBondContact O-N 3.41Å; N9-A147 HydrophobicContact CB-CB 3.76Å; N9-A148 PolarHBondContact OD1-N 3.13Å; N9-L151 HydrophobicContact CB-CD1 3.92Å
10Y98.2Very high96.8Very high151 Ų15143.7 Ų43.759%0.59221%0.209SC*.Hα-helixtrans-61.8-42.6174.4-175.5-98000112.1E6 S7 V8 Q13 N14E6-Y10 WeakPolarHBondContact O-CB 3.44Å; E6-Y10 PolarHBondContact O-N 2.92Å; S7-Y10 PolarHBondContact O-N 3.21Å; V8-Y10 VanDerWaalsContact C-N 3.3Å; V8-Y10 PolarHBondContact O-N 3.08Å; Y10-Q13 PolarHBondContact O-N 3.39Å; Y10-N14 PolarHBondContact O-N 2.83Å; Y10-N14 PolarHBondContact O-ND2 2.98Å
11C97.8Very high96.8Very high10 Ų1041.7 Ų41.77%0.06820%0.199CC..Hα-helixtrans-60.3-47.2173.6-62.90000111S7 V8 Q13 N14 N15 I16S7-C11 PolarHBondContact O-N 3.36Å; S7-C11 PolarHBondContact O-SG 3.49Å; V8-C11 WeakPolarHBondContact O-CB 3.2Å; V8-C11 PolarHBondContact O-N 3.48Å; V8-C11 VanDerWaalsContact O-N 3.16Å; C11-Q13 VanDerWaalsContact C-N 3.33Å; C11-Q13 PolarHBondContact O-N 3.27Å; C11-N14 CarbonylContact O-C 3.59Å; C11-N14 VanDerWaalsContact O-C 3.31Å; C11-N14 WeakPolarHBondContact O-CA 3.37Å; C11-N14 PolarHBondContact O-N 2.69Å; C11-N15 PolarHBondContact O-N 2.91Å; C11-N15 VanDerWaalsContact O-N 3.13Å; C11-I16 CarbonylContact C-O 3.56Å; C11-I16 VanDerWaalsContact C-O 3.27Å; C11-I16 HydrophobicContact CB-CB 4.18Å; C11-I16 HydrophobicContact CB-CG2 4.34Å; C11-I16 WeakPolarHBondContact CB-O 3.19Å; C11-I16 PolarHBondContact O-N 3.27Å
12H98Very high96.8Very high14 Ų1441.2 Ų41.27%0.06520%0.196CC..Hα-helixtrans-63.3-36.2-178.8-69.9-177.3000113V8 N9 N14 N15 I16 K77 D80V8-H12 WeakPolarHBondContact CG1-CE1 3.42Å; V8-H12 PolarHBondContact O-CD2 3.18Å; V8-H12 VanDerWaalsContact O-CG 3.3Å; V8-H12 PolarHBondContact O-N 2.8Å; N9-H12 PolarHBondContact O-N 3.37Å; H12-N14 VanDerWaalsContact C-N 3.28Å; H12-N14 PolarHBondContact O-N 3.46Å; H12-N15 PolarHBondContact O-N 3.06Å; H12-N15 VanDerWaalsContact O-N 3.12Å; H12-I16 PolarHBondContact CD2-O 3.43Å; H12-K77 HydrophobicContact CB-CD 4Å; H12-K77 HydrophobicContact CB-CG 4.23Å; H12-K77 PolarHBondContact CE1-O 3.24Å; H12-K77 PolarHBondContact NE2-O 2.91Å; H12-K77 WeakPolarHBondContact O-CE 3.5Å; H12-K77 PolarHBondContact O-NZ 3.36Å; H12-D80 IonicContact CD2-OD2 2.92Å; H12-D80 IonicContact NE2-OD2 2.69Å; H12-D80 PolarHBondContact NE2-OD2 2.89Å
13Q97.3Very high96.5Very high128 Ų12839.9 Ų39.960%0.59819%0.193SC*.Hα-helixtrans-65.7-30.9173.2-75.1174.2-13.300112.6N9 Y10 C11 N15N9-Q13 PolarHBondContact ND2-NE2 3.1Å; N9-Q13 WeakPolarHBondContact O-CB 3.44Å; N9-Q13 VanDerWaalsContact O-CG 3.3Å; N9-Q13 WeakPolarHBondContact O-CG 3.21Å; N9-Q13 PolarHBondContact O-N 3.41Å; Y10-Q13 PolarHBondContact O-N 3.39Å; C11-Q13 VanDerWaalsContact C-N 3.33Å; C11-Q13 PolarHBondContact O-N 3.27Å; Q13-N15 VanDerWaalsContact C-N 3.27Å
14N97.3Very high96Very high81 Ų8139 Ų3943%0.43319%0.189SC..THydrogen-bonded Turntrans-91.515.2173.6-69.2-83000112.6Y10 C11 H12 I16Y10-N14 PolarHBondContact O-N 2.83Å; Y10-N14 PolarHBondContact O-ND2 2.98Å; C11-N14 CarbonylContact O-C 3.59Å; C11-N14 VanDerWaalsContact O-C 3.31Å; C11-N14 WeakPolarHBondContact O-CA 3.37Å; C11-N14 PolarHBondContact O-N 2.69Å; H12-N14 VanDerWaalsContact C-N 3.28Å; H12-N14 PolarHBondContact O-N 3.46Å; N14-I16 HydrophobicContact CB-CD1 4.39Å; N14-I16 PolarHBondContact O-N 3.25Å
15N96.9Very high95.7Very high58 Ų5839 Ų3931%0.3119%0.189SC..THydrogen-bonded Turntrans54.533.3-178.7-59.3-52.1000114.7C11 H12 Q13 E47 V48 K77C11-N15 PolarHBondContact O-N 2.91Å; C11-N15 VanDerWaalsContact O-N 3.13Å; H12-N15 PolarHBondContact O-N 3.06Å; H12-N15 VanDerWaalsContact O-N 3.12Å; Q13-N15 VanDerWaalsContact C-N 3.27Å; N15-E47 CarbonylContact O-C 3.46Å; N15-E47 WeakPolarHBondContact O-CA 3.48Å; N15-V48 HydrophobicContact CB-CG2 4.08Å; N15-V48 VanDerWaalsContact CB-O 3.26Å; N15-V48 WeakPolarHBondContact CB-O 3.15Å; N15-V48 WeakPolarHBondContact O-CG2 3.47Å; N15-V48 PolarHBondContact O-N 3.4Å; N15-K77 PolarHBondContact OD1-NZ 3.06Å; N15-K77 VanDerWaalsContact OD1-NZ 3.1Å
16I96.9Very high95.5Very high51 Ų5140.5 Ų40.526%0.26220%0.197SC..EExtended strand (participates in β ladder)trans-104.6133.2173.7-64.9167.7000108.8C11 H12 N14 F42 A45 I46C11-I16 CarbonylContact C-O 3.56Å; C11-I16 VanDerWaalsContact C-O 3.27Å; C11-I16 HydrophobicContact CB-CB 4.18Å; C11-I16 HydrophobicContact CB-CG2 4.34Å; C11-I16 WeakPolarHBondContact CB-O 3.19Å; C11-I16 PolarHBondContact O-N 3.27Å; H12-I16 PolarHBondContact CD2-O 3.43Å; N14-I16 HydrophobicContact CB-CD1 4.39Å; N14-I16 PolarHBondContact O-N 3.25Å; I16-F42 HydrophobicContact CG2-CD1 4.32Å; I16-F42 HydrophobicContact CG2-CE1 4.35Å; I16-A45 HydrophobicContact CG2-CB 4.21Å; I16-I46 WeakPolarHBondContact CA-O 3.38Å
17V97.6Very high95.2Very high0 Ų040.9 Ų40.90%020%0.201CC..EExtended strand (participates in β ladder)trans-114.5126.9171.6-174.40000108.4R19 A45 I46 V48 K77 V79 D80V17-R19 HydrophobicContact CB-CG 4.41Å; V17-R19 HydrophobicContact CG1-CG 3.83Å; V17-A45 CarbonylContact O-C 3.27Å; V17-A45 WeakPolarHBondContact O-CA 3.47Å; V17-I46 HydrophobicContact CB-CD1 4.27Å; V17-I46 HydrophobicContact CB-CG1 3.85Å; V17-I46 PolarHBondContact N-O 3.26Å; V17-I46 PolarHBondContact O-N 2.78Å; V17-V48 HydrophobicContact CG2-CG1 3.61Å; V17-V48 HydrophobicContact CG2-CG2 4.06Å; V17-K77 HydrophobicContact CG2-CB 4.43Å; V17-K77 HydrophobicContact CG2-CG 3.9Å; V17-V79 HydrophobicContact CG1-CG2 3.48Å; V17-V79 VanDerWaalsContact CG1-CG2 3.48Å; V17-D80 WeakPolarHBondContact CA-OD2 3.27Å; V17-D80 WeakPolarHBondContact CG1-OD2 3.43Å
18H97.6Very high94.9Very high1 Ų145 Ų451%0.00522%0.22CC..  trans-75.4-41.1-172.2-169.8-74.8000112.7D20 L21 A40 D41 F42 L44 D80H18-D20 PolarHBondContact CE1-O 3.02Å; H18-D20 VanDerWaalsContact ND1-C 3.32Å; H18-D20 PolarHBondContact ND1-N 3.01Å; H18-D20 PolarHBondContact O-N 3.28Å; H18-L21 HydrophobicContact CB-CD1 4.5Å; H18-L21 HydrophobicContact CB-CG 4.23Å; H18-L21 PolarHBondContact ND1-N 3.2Å; H18-A40 PolarHBondContact NE2-O 3.14Å; H18-A40 VanDerWaalsContact NE2-O 3.11Å; H18-D41 PolarHBondContact CE1-O 3Å; H18-D41 PolarHBondContact NE2-O 3.37Å; H18-D41 VanDerWaalsContact NE2-O 3.13Å; H18-F42 AromaticContact CD2-CD1 3.81Å; H18-F42 AromaticContact CD2-CE1 3.69Å; H18-F42 AromaticContact CD2-CZ 3.91Å; H18-L44 CarbonylContact O-C 3.31Å; H18-D80 PolarHBondContact N-OD1 2.64Å; H18-D80 PolarHBondContact N-OD2 3.16Å
19R96.6Very high94.6Very high39 Ų3947.5 Ų47.515%0.14724%0.241CC..SBendtrans64.6-16.3178.8-54.1-165-62.2173.3-2.3117.5V17 L44 I46 F56 Y75 V79 D80V17-R19 HydrophobicContact CB-CG 4.41Å; V17-R19 HydrophobicContact CG1-CG 3.83Å; R19-L44 PolarHBondContact NE-O 3.15Å; R19-L44 PolarHBondContact NH2-O 3.12Å; R19-I46 HydrophobicContact CG-CD1 4.45Å; R19-I46 HydrophobicContact CG-CG1 4.26Å; R19-F56 VanDerWaalsContact NH1-CB 3.3Å; R19-F56 PolarHBondContact NH1-O 3.07Å; R19-Y75 HydrophobicContact CG-CE2 4.42Å; R19-Y75 PolarHBondContact NH1-OH 3.43Å; R19-V79 HydrophobicContact CG-CG2 4.32Å; R19-D80 PolarHBondContact N-OD1 3.08Å
20D95.7Very high94.2Very high9 Ų949 Ų495%0.04825%0.253CS..  trans-126.445.9176.8-161.437.3000113H18 K22 N25 L44 T61H18-D20 PolarHBondContact CE1-O 3.02Å; H18-D20 VanDerWaalsContact ND1-C 3.32Å; H18-D20 PolarHBondContact ND1-N 3.01Å; H18-D20 PolarHBondContact O-N 3.28Å; D20-K22 PolarHBondContact O-N 3.26Å; D20-K22 IonicContact OD1-NZ 3.03Å; D20-K22 PolarHBondContact OD1-NZ 3.02Å; D20-K22 VanDerWaalsContact OD2-CE 3.29Å; D20-K22 WeakPolarHBondContact OD2-CE 3.33Å; D20-K22 IonicContact OD2-NZ 3.4Å; D20-K22 PolarHBondContact OD2-NZ 3.14Å; D20-N25 PolarHBondContact O-ND2 3.37Å; D20-L44 HydrophobicContact CB-CB 4.22Å; D20-L44 HydrophobicContact CB-CD1 3.82Å; D20-L44 HydrophobicContact CB-CG 4.48Å; D20-T61 PolarHBondContact OD1-N 3.36Å; D20-T61 PolarHBondContact OD1-OG1 3.42Å
21L96.7Very high93.9Very high1 Ų152.2 Ų52.21%0.00527%0.27CS..  trans-69.9120.4173.3-86.5163.5000110.6V8 H18 L39 D80 A83 I87V8-L21 HydrophobicContact CG2-CD1 3.61Å; V8-L21 HydrophobicContact CG2-CD2 4.18Å; H18-L21 HydrophobicContact CB-CD1 4.5Å; H18-L21 HydrophobicContact CB-CG 4.23Å; H18-L21 PolarHBondContact ND1-N 3.2Å; L21-L39 HydrophobicContact CD2-CD1 3.38Å; L21-L39 HydrophobicContact CD2-CD2 4.28Å; L21-L39 HydrophobicContact CD2-CG 4.49Å; L21-D80 HydrophobicContact CD1-CB 3.52Å; L21-D80 WeakPolarHBondContact CD1-O 3.49Å; L21-A83 HydrophobicContact CB-CB 3.59Å; L21-A83 HydrophobicContact CD1-CB 4.48Å; L21-I87 HydrophobicContact CB-CD1 4.25Å
22K92.7Very high93.4Very high31 Ų3155.3 Ų55.314%0.13529%0.292CS..SBendtrans-160.9162.9-179.161.2-169.8-175.2-157.70110.4D20 E24 N25 T61 Y64D20-K22 PolarHBondContact O-N 3.26Å; D20-K22 IonicContact OD1-NZ 3.03Å; D20-K22 PolarHBondContact OD1-NZ 3.02Å; D20-K22 VanDerWaalsContact OD2-CE 3.29Å; D20-K22 WeakPolarHBondContact OD2-CE 3.33Å; D20-K22 IonicContact OD2-NZ 3.4Å; D20-K22 PolarHBondContact OD2-NZ 3.14Å; K22-E24 WeakPolarHBondContact CB-OE2 3.26Å; K22-E24 HydrophobicContact CD-CB 4.39Å; K22-E24 WeakPolarHBondContact CD-OE2 3.48Å; K22-E24 HydrophobicContact CG-CB 4.08Å; K22-E24 WeakPolarHBondContact CG-OE2 3.32Å; K22-E24 PolarHBondContact O-N 3.47Å; K22-E24 VanDerWaalsContact O-N 3.13Å; K22-N25 HydrophobicContact CG-CB 4.29Å; K22-N25 PolarHBondContact O-N 2.91Å; K22-T61 HydrophobicContact CD-CG2 4.4Å; K22-T61 VanDerWaalsContact CD-OG1 3.23Å; K22-T61 WeakPolarHBondContact CD-OG1 3.47Å; K22-T61 PolarHBondContact NZ-OG1 3.05Å; K22-T61 VanDerWaalsContact NZ-OG1 3.09Å; K22-Y64 HydrophobicContact CB-CD2 3.95Å; K22-Y64 HydrophobicContact CB-CE1 4.45Å; K22-Y64 HydrophobicContact CB-CE2 3.86Å; K22-Y64 HydrophobicContact CB-CG 4.28Å
23P88.9Confident92.7Very high31 Ų3164.9 Ų64.920%0.20133%0.333CS..G310 helixtrans-55.6-29.5-177.9-28.236.5000115.2N25 L26 Y64 F181P23-N25 PolarHBondContact O-N 3.21Å; P23-L26 PolarHBondContact O-N 3.43Å; P23-Y64 VanDerWaalsContact CD-CZ 3.42Å; P23-Y64 WeakPolarHBondContact CD-OH 3.38Å; P23-Y64 WeakPolarHBondContact CG-OH 3.46Å; P23-F181 HydrophobicContact CG-CE1 4.48Å
24E82.1Confident92.1Very high63 Ų6362.5 Ų62.529%0.29434%0.343SS..G310 helixtrans-58.5-35.6173.9-65.281172.300112.6K22 L26 R185K22-E24 WeakPolarHBondContact CB-OE2 3.26Å; K22-E24 HydrophobicContact CD-CB 4.39Å; K22-E24 WeakPolarHBondContact CD-OE2 3.48Å; K22-E24 HydrophobicContact CG-CB 4.08Å; K22-E24 WeakPolarHBondContact CG-OE2 3.32Å; K22-E24 PolarHBondContact O-N 3.47Å; K22-E24 VanDerWaalsContact O-N 3.13Å; E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 2.81Å; E24-R185 WeakPolarHBondContact OE1-CD 3.3Å; E24-R185 VanDerWaalsContact OE1-CG 3.27Å; E24-R185 WeakPolarHBondContact OE1-CG 3.37Å; E24-R185 IonicContact OE1-CZ 3.83Å; E24-R185 IonicContact OE1-NE 3.91Å; E24-R185 IonicContact OE1-NH1 3.81Å; E24-R185 PolarHBondContact OE1-NH1 3.42Å; E24-R185 IonicContact OE2-CZ 3.38Å; E24-R185 IonicContact OE2-NH1 2.76Å; E24-R185 PolarHBondContact OE2-NH1 3.21Å
25N91.6Very high91.8Very high8 Ų859.4 Ų59.44%0.04333%0.329CS..G310 helixtrans-92.89.4-172.7-70.3-3.6000111.7D20 K22 P23 L39 A40D20-N25 PolarHBondContact O-ND2 3.37Å; K22-N25 HydrophobicContact CG-CB 4.29Å; K22-N25 PolarHBondContact O-N 2.91Å; P23-N25 PolarHBondContact O-N 3.21Å; N25-L39 CarbonylContact O-C 3.58Å; N25-L39 WeakPolarHBondContact O-CA 3.35Å; N25-A40 VanDerWaalsContact CB-O 3.28Å; N25-A40 WeakPolarHBondContact CB-O 3.37Å; N25-A40 PolarHBondContact O-N 3.33Å
26L92.8Very high91.7Very high35 Ų3558.8 Ų58.818%0.18333%0.332CS..EExtended strand (participates in β ladder)trans-115.196177.3-62.4177.9000109.8I4 P23 E24 V37 L39 I87I4-L26 HydrophobicContact CD1-CD1 3.59Å; I4-L26 HydrophobicContact CD1-CD2 4.29Å; I4-L26 HydrophobicContact CG1-CD1 4.24Å; I4-L26 HydrophobicContact CG1-CD2 4.01Å; I4-L26 HydrophobicContact CG2-CD2 4.02Å; P23-L26 PolarHBondContact O-N 3.43Å; E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 2.81Å; L26-V37 HydrophobicContact CB-CG1 4.34Å; L26-V37 HydrophobicContact CD2-CG1 4.38Å; L26-L39 HydrophobicContact CD2-CD1 4.15Å; L26-I87 HydrophobicContact CD1-CD1 4.15Å; L26-I87 HydrophobicContact CD1-CG2 3.96Å
27L90.3Very high91.5Very high92 Ų9258.5 Ų58.548%0.48233%0.332SS..EExtended strand (participates in β ladder)trans-101.5151.9-174.8-54.8-177.7000111.2V37 K38 A40L27-V37 CarbonylContact O-C 3.56Å; L27-V37 WeakPolarHBondContact O-CA 3.44Å; L27-K38 PolarHBondContact N-O 2.81Å; L27-K38 PolarHBondContact O-N 2.95Å; L27-A40 HydrophobicContact CD1-CB 3.75Å; L27-A40 HydrophobicContact CG-CB 4.07Å
28L91.8Very high91.4Very high117 Ų11764.5 Ų64.561%0.61336%0.358SS*.EExtended strand (participates in β ladder)trans-90.2134.3168.3-66.1175.1000109.4S30 A35 V37L28-S30 PolarHBondContact O-N 3.45Å; L28-S30 VanDerWaalsContact O-N 3.15Å; L28-A35 HydrophobicContact CB-CB 4.38Å; L28-V37 HydrophobicContact CD2-CG2 3.99Å
29A91.4Very high91.3Very high54 Ų5465.7 Ų65.745%0.44637%0.365SS..SBendtrans-60.1-25.5-17800000113.6A36 K38A29-A36 HydrophobicContact CB-CB 4.42Å; A29-A36 WeakPolarHBondContact CB-O 3.44Å; A29-A36 PolarHBondContact N-O 3.13Å; A29-K38 HydrophobicContact CB-CD 4.05Å; A29-K38 HydrophobicContact CB-CG 4.39Å
30S90.9Very high91Very high54 Ų5465 Ų6538%0.37837%0.368SS..SBendtrans-159.5177.3177.770.90000109.9L28 S32 A35L28-S30 PolarHBondContact O-N 3.45Å; L28-S30 VanDerWaalsContact O-N 3.15Å; S30-S32 VanDerWaalsContact C-N 3.28Å; S30-S32 PolarHBondContact OG-N 2.69Å; S30-S32 PolarHBondContact OG-OG 2.8Å; S30-A35 VanDerWaalsContact O-CB 3.3Å; S30-A35 WeakPolarHBondContact O-CB 3.46Å; S30-A35 WeakPolarHBondContact OG-CB 3.32Å
31K90.4Very high90.7Very high219 Ų21968.9 Ų68.995%0.95239%0.388SS*.SBendtrans-82.9-0.2171.4-63.2-177.3-179.8178.50113.3
32S88Confident90.5Very high75 Ų7573.3 Ų73.352%0.52441%0.408SS..SBendtrans-72.9148.8-176.863.80000111.3S30 G34 A35S30-S32 VanDerWaalsContact C-N 3.28Å; S30-S32 PolarHBondContact OG-N 2.69Å; S30-S32 PolarHBondContact OG-OG 2.8Å; S32-G34 PolarHBondContact O-N 3.49Å; S32-A35 WeakPolarHBondContact O-CB 3.44Å; S32-A35 PolarHBondContact O-N 3.48Å; S32-A35 VanDerWaalsContact O-N 3.08Å
33K83.6Confident90.2Very high215 Ų21574.9 Ų74.994%0.93543%0.433SS*.THydrogen-bonded Turntrans-57.2130.9171.5-170.9177.9179.7-177.30109
34G85.2Confident90.2Very high78 Ų7876.4 Ų76.480%0.80444%0.439SS*.THydrogen-bonded Turntrans78.312.7-177.900000115.3S32 A36S32-G34 PolarHBondContact O-N 3.49Å; G34-A36 PolarHBondContact O-N 2.78Å
35A90.6Very high90.7Very high16 Ų1674.9 Ų74.913%0.13244%0.437CS..PPolyproline II helixtrans-53.5136.7173.500000111.8L28 S30 S32L28-A35 HydrophobicContact CB-CB 4.38Å; S30-A35 VanDerWaalsContact O-CB 3.3Å; S30-A35 WeakPolarHBondContact O-CB 3.46Å; S30-A35 WeakPolarHBondContact OG-CB 3.32Å; S32-A35 WeakPolarHBondContact O-CB 3.44Å; S32-A35 PolarHBondContact O-N 3.48Å; S32-A35 VanDerWaalsContact O-N 3.08Å
36A93.1Very high90.9Very high46 Ų4675.7 Ų75.738%0.3844%0.442SS..PPolyproline II helixtrans-65.4143.7178.700000111.6Q3 A29 G34Q3-A36 VanDerWaalsContact OE1-CA 3.25Å; A29-A36 HydrophobicContact CB-CB 4.42Å; A29-A36 WeakPolarHBondContact CB-O 3.44Å; A29-A36 PolarHBondContact N-O 3.13Å; G34-A36 PolarHBondContact O-N 2.78Å
37V94.8Very high91Very high45 Ų4581.9 Ų81.927%0.27347%0.469SS..EExtended strand (participates in β ladder)trans-79.9131.2170.4-177.70000108.5Q3 I4 L26 L27 L28Q3-V37 HydrophobicContact CB-CB 4.22Å; I4-V37 HydrophobicContact CG1-CG1 4.08Å; L26-V37 HydrophobicContact CB-CG1 4.34Å; L26-V37 HydrophobicContact CD2-CG1 4.38Å; L27-V37 CarbonylContact O-C 3.56Å; L27-V37 WeakPolarHBondContact O-CA 3.44Å; L28-V37 HydrophobicContact CD2-CG2 3.99Å
38K93.5Very high91.2Very high125 Ų12578 Ų7854%0.54345%0.45SS..EExtended strand (participates in β ladder)trans-120131.8178.1-68-174.9174.9-72.10109.8L27 A29L27-K38 PolarHBondContact N-O 2.81Å; L27-K38 PolarHBondContact O-N 2.95Å; A29-K38 HydrophobicContact CB-CD 4.05Å; A29-K38 HydrophobicContact CB-CG 4.39Å
39L95.7Very high91.2Very high26 Ų2680.2 Ų80.214%0.13646%0.457CS..EExtended strand (participates in β ladder)trans-76.1135.2170.6-177.357.6000109.4L21 N25 L26 F42L21-L39 HydrophobicContact CD2-CD1 3.38Å; L21-L39 HydrophobicContact CD2-CD2 4.28Å; L21-L39 HydrophobicContact CD2-CG 4.49Å; N25-L39 CarbonylContact O-C 3.58Å; N25-L39 WeakPolarHBondContact O-CA 3.35Å; L26-L39 HydrophobicContact CD2-CD1 4.15Å; L39-F42 HydrophobicContact CD2-CZ 3.92Å; L39-F42 HydrophobicContact CG-CE2 4.24Å; L39-F42 HydrophobicContact CG-CZ 4.05Å
40A92.3Very high91.2Very high26 Ų2679.1 Ų79.122%0.21545%0.451CS..  trans-134.4167.4-176.500000111.6H18 N25 L27H18-A40 PolarHBondContact NE2-O 3.14Å; H18-A40 VanDerWaalsContact NE2-O 3.11Å; N25-A40 VanDerWaalsContact CB-O 3.28Å; N25-A40 WeakPolarHBondContact CB-O 3.37Å; N25-A40 PolarHBondContact O-N 3.33Å; L27-A40 HydrophobicContact CD1-CB 3.75Å; L27-A40 HydrophobicContact CG-CB 4.07Å
41D89.2Confident91.1Very high89 Ų8983.1 Ų83.148%0.47647%0.468SS..  trans59.878.5176.1-165.31.7000115.6H18 G43H18-D41 PolarHBondContact CE1-O 3Å; H18-D41 PolarHBondContact NE2-O 3.37Å; H18-D41 VanDerWaalsContact NE2-O 3.13Å; D41-G43 PolarHBondContact O-N 3.15Å; D41-G43 PolarHBondContact OD1-N 3.19Å; D41-G43 VanDerWaalsContact OD1-N 3.13Å
42F92.6Very high91Very high94 Ų9479.2 Ų79.241%0.41245%0.453SS..  trans-86.619.7174.2-70.7-103.7000112.5I16 H18 L39 L44 A45I16-F42 HydrophobicContact CG2-CD1 4.32Å; I16-F42 HydrophobicContact CG2-CE1 4.35Å; H18-F42 AromaticContact CD2-CD1 3.81Å; H18-F42 AromaticContact CD2-CE1 3.69Å; H18-F42 AromaticContact CD2-CZ 3.91Å; L39-F42 HydrophobicContact CD2-CZ 3.92Å; L39-F42 HydrophobicContact CG-CE2 4.24Å; L39-F42 HydrophobicContact CG-CZ 4.05Å; F42-L44 PolarHBondContact O-N 3.19Å; F42-L44 VanDerWaalsContact O-N 3.1Å; F42-A45 HydrophobicContact CB-CB 3.83Å; F42-A45 HydrophobicContact CD1-CB 3.8Å; F42-A45 HydrophobicContact CG-CB 4.31Å; F42-A45 VanDerWaalsContact O-CB 3.27Å; F42-A45 WeakPolarHBondContact O-CB 3.26Å; F42-A45 PolarHBondContact O-N 2.99Å
43G86Confident91.1Very high65 Ų6579.6 Ų79.667%0.6745%0.453SS*.THydrogen-bonded Turntrans-61.6-20.9-17600000114.4D41D41-G43 PolarHBondContact O-N 3.15Å; D41-G43 PolarHBondContact OD1-N 3.19Å; D41-G43 VanDerWaalsContact OD1-N 3.13Å
44L87.8Confident91.6Very high62 Ų6271.3 Ų71.333%0.32543%0.425SS..THydrogen-bonded Turntrans-108.65.8174-63.9179.7000113.1H18 R19 D20 F42 A59H18-L44 CarbonylContact O-C 3.31Å; R19-L44 PolarHBondContact NE-O 3.15Å; R19-L44 PolarHBondContact NH2-O 3.12Å; D20-L44 HydrophobicContact CB-CB 4.22Å; D20-L44 HydrophobicContact CB-CD1 3.82Å; D20-L44 HydrophobicContact CB-CG 4.48Å; F42-L44 PolarHBondContact O-N 3.19Å; F42-L44 VanDerWaalsContact O-N 3.1Å; L44-A59 HydrophobicContact CD1-CB 4.32Å; L44-A59 HydrophobicContact CD2-CB 4.29Å
45A94.2Very high92Very high32 Ų3272.9 Ų72.926%0.26441%0.407SS..  trans-67.8155.3-178.400000112.1I16 V17 F42I16-A45 HydrophobicContact CG2-CB 4.21Å; V17-A45 CarbonylContact O-C 3.27Å; V17-A45 WeakPolarHBondContact O-CA 3.47Å; F42-A45 HydrophobicContact CB-CB 3.83Å; F42-A45 HydrophobicContact CD1-CB 3.8Å; F42-A45 HydrophobicContact CG-CB 4.31Å; F42-A45 VanDerWaalsContact O-CB 3.27Å; F42-A45 WeakPolarHBondContact O-CB 3.26Å; F42-A45 PolarHBondContact O-N 2.99Å
46I94.8Very high92.1Very high25 Ų2575.1 Ų75.113%0.12841%0.414CS..EExtended strand (participates in β ladder)trans-135.4154.7177.453.3168.2000110.6I16 V17 R19 V48 F56 Y75I16-I46 WeakPolarHBondContact CA-O 3.38Å; V17-I46 HydrophobicContact CB-CD1 4.27Å; V17-I46 HydrophobicContact CB-CG1 3.85Å; V17-I46 PolarHBondContact N-O 3.26Å; V17-I46 PolarHBondContact O-N 2.78Å; R19-I46 HydrophobicContact CG-CD1 4.45Å; R19-I46 HydrophobicContact CG-CG1 4.26Å; I46-V48 HydrophobicContact CD1-CG1 3.94Å; I46-V48 HydrophobicContact CG1-CG1 4.33Å; I46-F56 HydrophobicContact CB-CD1 4.43Å; I46-F56 HydrophobicContact CD1-CB 3.72Å; I46-F56 HydrophobicContact CD1-CD1 3.59Å; I46-F56 HydrophobicContact CD1-CD2 3.27Å; I46-F56 HydrophobicContact CD1-CE1 3.92Å; I46-F56 HydrophobicContact CD1-CE2 3.62Å; I46-F56 HydrophobicContact CD1-CG 3.24Å; I46-F56 HydrophobicContact CD1-CZ 3.94Å; I46-F56 HydrophobicContact CG2-CB 4.41Å; I46-F56 HydrophobicContact CG2-CD1 4.41Å; I46-Y75 HydrophobicContact CD1-CE2 4.32Å
47E95.4Very high91.9Very high164 Ų16474.1 Ų74.177%0.76641%0.408SS*.EExtended strand (participates in β ladder)trans-91.1136.1164.9-65.6177.7-170.600109.5N15N15-E47 CarbonylContact O-C 3.46Å; N15-E47 WeakPolarHBondContact O-CA 3.48Å
48V94.5Very high91.8Very high11 Ų1176.9 Ų76.97%0.06742%0.416CS..  trans-115.4154.7176.3-60.90000110.3N15 V17 I46 G50 F56 K77N15-V48 HydrophobicContact CB-CG2 4.08Å; N15-V48 VanDerWaalsContact CB-O 3.26Å; N15-V48 WeakPolarHBondContact CB-O 3.15Å; N15-V48 WeakPolarHBondContact O-CG2 3.47Å; N15-V48 PolarHBondContact O-N 3.4Å; V17-V48 HydrophobicContact CG2-CG1 3.61Å; V17-V48 HydrophobicContact CG2-CG2 4.06Å; I46-V48 HydrophobicContact CD1-CG1 3.94Å; I46-V48 HydrophobicContact CG1-CG1 4.33Å; V48-G50 WeakPolarHBondContact CG2-O 3.26Å; V48-G50 PolarHBondContact O-N 3.21Å; V48-F56 HydrophobicContact CB-CZ 4.43Å; V48-F56 HydrophobicContact CG1-CE1 4.48Å; V48-F56 HydrophobicContact CG1-CE2 3.92Å; V48-F56 HydrophobicContact CG1-CZ 3.68Å; V48-K77 HydrophobicContact CG2-CG 4.36Å
49Q91.6Very high91.5Very high164 Ų16472 Ų7277%0.76640%0.399SS*.SBendtrans-92.793.3175.5-67.9-173.5-7.600109.8D51 Q52Q49-D51 PolarHBondContact O-N 3.07Å; Q49-Q52 PolarHBondContact O-N 3.35Å
50G90.2Very high91.2Very high31 Ų3171.7 Ų71.732%0.3240%0.402SS..THydrogen-bonded Turntrans61.5-125.3-176.300000111.6V48 K77V48-G50 WeakPolarHBondContact CG2-O 3.26Å; V48-G50 PolarHBondContact O-N 3.21Å; G50-K77 VanDerWaalsContact O-CE 3.27Å; G50-K77 WeakPolarHBondContact O-CE 3.43Å; G50-K77 PolarHBondContact O-NZ 3.34Å; G50-K77 VanDerWaalsContact O-NZ 3.13Å
51D89.1Confident91Very high137 Ų13772.2 Ų72.273%0.73340%0.403SS*.THydrogen-bonded Turntrans-106.312.4179.3-60.7-35.6000113.1Q49 P53 K77Q49-D51 PolarHBondContact O-N 3.07Å; D51-P53 VanDerWaalsContact O-CD 3.32Å; D51-P53 WeakPolarHBondContact O-CD 3.28Å; D51-K77 IonicContact OD1-NZ 3.92Å; D51-K77 PolarHBondContact OD1-NZ 2.9Å
52Q89.2Confident91.1Very high138 Ų13870.1 Ų70.165%0.64539%0.394SS*.  trans-72.6119.6178.6-66.7-169.24.700110.9Q49Q49-Q52 PolarHBondContact O-N 3.35Å
53P90.7Very high91.2Very high82 Ų8266.5 Ų66.553%0.53238%0.383SS..  trans-75.1141.8175.731.4-33.7000110.5D51 P74 Y75D51-P53 VanDerWaalsContact O-CD 3.32Å; D51-P53 WeakPolarHBondContact O-CD 3.28Å; P53-P74 HydrophobicContact CB-CB 3.99Å; P53-P74 HydrophobicContact CG-CB 4.47Å; P53-Y75 WeakPolarHBondContact CA-O 3.38Å
54A93.4Very high91.7Very high41 Ų4164.4 Ų64.434%0.33936%0.355SS..BIsolated β-bridgetrans-141.3167.1173.400000110.4F56 Y75A54-F56 HydrophobicContact CB-CD2 4.37Å; A54-F56 HydrophobicContact CB-CE1 4.28Å; A54-F56 HydrophobicContact CB-CE2 3.73Å; A54-F56 HydrophobicContact CB-CZ 3.67Å; A54-F56 WeakPolarHBondContact O-CD2 3.43Å; A54-F56 WeakPolarHBondContact O-CE2 3.25Å; A54-F56 PolarHBondContact O-N 3.34Å; A54-Y75 PolarHBondContact N-O 3.09Å; A54-Y75 VanDerWaalsContact N-O 3.08Å; A54-Y75 PolarHBondContact O-N 2.83Å; A54-Y75 VanDerWaalsContact O-O 3.13Å
55W94.2Very high92.2Very high112 Ų11261.8 Ų61.842%0.42434%0.342SS..  trans-87.7107.7173.9179.4-110.9000110.2F58 K72 Y75W55-F58 HydrophobicContact CH2-CB 4.38Å; W55-F58 HydrophobicContact CZ2-CB 4.39Å; W55-K72 HydrophobicContact CH2-CB 4.03Å; W55-K72 HydrophobicContact CH2-CG 4.13Å; W55-K72 HydrophobicContact CZ2-CB 4.42Å; W55-K72 HydrophobicContact CZ2-CG 4.48Å; W55-K72 VanDerWaalsContact CZ3-CA 3.46Å; W55-K72 HydrophobicContact CZ3-CB 4.23Å; W55-Y75 AromaticContact CE3-CD1 3.92Å; W55-Y75 HydrophobicContact CE3-CD1 3.92Å; W55-Y75 AromaticContact CE3-CE1 3.76Å; W55-Y75 HydrophobicContact CE3-CE1 3.76Å; W55-Y75 AromaticContact CZ3-CD1 3.97Å; W55-Y75 HydrophobicContact CZ3-CD1 3.97Å; W55-Y75 AromaticContact CZ3-CE1 3.73Å; W55-Y75 HydrophobicContact CZ3-CE1 3.73Å
56F91.8Very high92.3Very high63 Ų6360.3 Ų60.328%0.27633%0.329SS..  trans-101.615.9-180-55.6-87.4000113.4R19 I46 V48 A54 Y75R19-F56 VanDerWaalsContact NH1-CB 3.3Å; R19-F56 PolarHBondContact NH1-O 3.07Å; I46-F56 HydrophobicContact CB-CD1 4.43Å; I46-F56 HydrophobicContact CD1-CB 3.72Å; I46-F56 HydrophobicContact CD1-CD1 3.59Å; I46-F56 HydrophobicContact CD1-CD2 3.27Å; I46-F56 HydrophobicContact CD1-CE1 3.92Å; I46-F56 HydrophobicContact CD1-CE2 3.62Å; I46-F56 HydrophobicContact CD1-CG 3.24Å; I46-F56 HydrophobicContact CD1-CZ 3.94Å; I46-F56 HydrophobicContact CG2-CB 4.41Å; I46-F56 HydrophobicContact CG2-CD1 4.41Å; V48-F56 HydrophobicContact CB-CZ 4.43Å; V48-F56 HydrophobicContact CG1-CE1 4.48Å; V48-F56 HydrophobicContact CG1-CE2 3.92Å; V48-F56 HydrophobicContact CG1-CZ 3.68Å; A54-F56 HydrophobicContact CB-CD2 4.37Å; A54-F56 HydrophobicContact CB-CE1 4.28Å; A54-F56 HydrophobicContact CB-CE2 3.73Å; A54-F56 HydrophobicContact CB-CZ 3.67Å; A54-F56 WeakPolarHBondContact O-CD2 3.43Å; A54-F56 WeakPolarHBondContact O-CE2 3.25Å; A54-F56 PolarHBondContact O-N 3.34Å; F56-Y75 HydrophobicContact CB-CE1 4.46Å; F56-Y75 HydrophobicContact CB-CE2 4.17Å; F56-Y75 WeakPolarHBondContact CB-OH 3.42Å; F56-Y75 HydrophobicContact CD2-CD2 4.24Å; F56-Y75 AromaticContact CD2-CE2 3.89Å; F56-Y75 HydrophobicContact CD2-CE2 3.89Å; F56-Y75 WeakPolarHBondContact CE2-O 3.19Å; F56-Y75 HydrophobicContact CG-CE2 4.5Å
57G89.9Confident92.5Very high24 Ų2459.1 Ų59.125%0.24732%0.323CS..  trans88.5171.2-177.100000114.1Y75G57-Y75 WeakPolarHBondContact O-CE1 3.37Å; G57-Y75 PolarHBondContact O-OH 3.33Å
58F91.4Very high92.6Very high104 Ų10451.4 Ų51.446%0.45629%0.287SS..SBendtrans-89.6108.8177.2-173.7-84.4000109.3W55 L65 V69 L70 Y107W55-F58 HydrophobicContact CH2-CB 4.38Å; W55-F58 HydrophobicContact CZ2-CB 4.39Å; F58-L65 HydrophobicContact CE1-CD1 4.07Å; F58-L65 HydrophobicContact CE2-CD1 4.1Å; F58-L65 HydrophobicContact CZ-CD1 3.52Å; F58-V69 HydrophobicContact CD2-CG1 4.15Å; F58-L70 HydrophobicContact CE2-CD2 3.76Å; F58-L70 HydrophobicContact CZ-CD2 4.08Å; F58-Y107 HydrophobicContact CZ-CE2 4.33Å
59A88Confident92.8Very high21 Ų2151 Ų5117%0.17429%0.285CS..  trans-148.9150.6-179.800000110.5L44 L65L44-A59 HydrophobicContact CD1-CB 4.32Å; L44-A59 HydrophobicContact CD2-CB 4.29Å; A59-L65 WeakPolarHBondContact O-CD2 3.37Å
60G88.3Confident93Very high21 Ų2144.2 Ų44.222%0.21625%0.254CS..SBendtrans121.2172.2179.300000113
61T88.9Confident93.3Very high37 Ų3746.8 Ų46.823%0.22725%0.254CS..  trans-85.9127.8-176.7-59.60000111.1D20 K22 G63 Y64 L65D20-T61 PolarHBondContact OD1-N 3.36Å; D20-T61 PolarHBondContact OD1-OG1 3.42Å; K22-T61 HydrophobicContact CD-CG2 4.4Å; K22-T61 VanDerWaalsContact CD-OG1 3.23Å; K22-T61 WeakPolarHBondContact CD-OG1 3.47Å; K22-T61 PolarHBondContact NZ-OG1 3.05Å; K22-T61 VanDerWaalsContact NZ-OG1 3.09Å; T61-G63 PolarHBondContact O-N 3.41Å; T61-Y64 HydrophobicContact CG2-CD2 3.83Å; T61-Y64 HydrophobicContact CG2-CE2 4.2Å; T61-Y64 PolarHBondContact O-N 2.95Å; T61-L65 PolarHBondContact O-N 3.32Å
62P91.3Very high93.6Very high44 Ų4447.8 Ų47.829%0.28625%0.252SS..G310 helixtrans-44-45.4-167.9-36.237.1000117.8Y64 L106 Y107 I110P62-Y64 VanDerWaalsContact C-N 3.26Å; P62-Y64 PolarHBondContact O-N 2.92Å; P62-L106 HydrophobicContact CB-CD2 4.15Å; P62-Y107 HydrophobicContact CB-CE1 3.95Å; P62-I110 VanDerWaalsContact O-CD1 3.29Å; P62-I110 WeakPolarHBondContact O-CD1 3.27Å
63G93.8Very high94Very high18 Ų1844.9 Ų44.919%0.18624%0.238CC..G310 helixtrans-76.5-6.8-178.500000115.4T61T61-G63 PolarHBondContact O-N 3.41Å
64Y97.3Very high94.2Very high21 Ų2144.7 Ų44.78%0.08224%0.237CC..G310 helixtrans-114.9-5.5-179.8-57.5-85.7000112.4K22 P23 T61 P62 V86 I87 I90K22-Y64 HydrophobicContact CB-CD2 3.95Å; K22-Y64 HydrophobicContact CB-CE1 4.45Å; K22-Y64 HydrophobicContact CB-CE2 3.86Å; K22-Y64 HydrophobicContact CB-CG 4.28Å; P23-Y64 VanDerWaalsContact CD-CZ 3.42Å; P23-Y64 WeakPolarHBondContact CD-OH 3.38Å; P23-Y64 WeakPolarHBondContact CG-OH 3.46Å; T61-Y64 HydrophobicContact CG2-CD2 3.83Å; T61-Y64 HydrophobicContact CG2-CE2 4.2Å; T61-Y64 PolarHBondContact O-N 2.95Å; P62-Y64 VanDerWaalsContact C-N 3.26Å; P62-Y64 PolarHBondContact O-N 2.92Å; Y64-V86 HydrophobicContact CD1-CB 3.95Å; Y64-V86 HydrophobicContact CD1-CG1 3.53Å; Y64-V86 HydrophobicContact CE1-CB 4.3Å; Y64-V86 HydrophobicContact CE1-CG1 3.55Å; Y64-V86 HydrophobicContact CG-CG1 4.45Å; Y64-I87 HydrophobicContact CD1-CG1 4.33Å; Y64-I87 HydrophobicContact CE1-CG1 4.02Å; Y64-I90 HydrophobicContact CE1-CD1 3.98Å; Y64-I90 WeakPolarHBondContact OH-CD1 3.39Å
65L97.5Very high94.4Very high7 Ų743 Ų434%0.03722%0.222CC..  trans-62.5140.1175.8-69.6175.7000110.4F58 A59 T61 V69 L70 W82 Y107 I110F58-L65 HydrophobicContact CE1-CD1 4.07Å; F58-L65 HydrophobicContact CE2-CD1 4.1Å; F58-L65 HydrophobicContact CZ-CD1 3.52Å; A59-L65 WeakPolarHBondContact O-CD2 3.37Å; T61-L65 PolarHBondContact O-N 3.32Å; L65-V69 HydrophobicContact CD2-CG1 4.11Å; L65-L70 HydrophobicContact CB-CD2 4.03Å; L65-L70 HydrophobicContact CB-CG 4.22Å; L65-L70 HydrophobicContact CD1-CD2 3.65Å; L65-L70 HydrophobicContact CG-CD2 4.48Å; L65-W82 PolarHBondContact O-NE1 2.92Å; L65-Y107 HydrophobicContact CD1-CE1 4.27Å; L65-I110 VanDerWaalsContact O-CG2 3.24Å; L65-I110 WeakPolarHBondContact O-CG2 3.44Å
66S98.1Very high94.5Very high1 Ų138.3 Ų38.31%0.00721%0.208CC..  trans-84.6158.8176.371.20000112.2E68 V69 L70 V79S66-E68 VanDerWaalsContact C-N 3.32Å; S66-E68 VanDerWaalsContact CB-OE1 3.26Å; S66-E68 WeakPolarHBondContact CB-OE1 3.43Å; S66-E68 PolarHBondContact O-N 2.92Å; S66-E68 PolarHBondContact OG-OE1 2.85Å; S66-E68 PolarHBondContact OG-OE2 3.23Å; S66-V69 PolarHBondContact O-N 3.12Å; S66-V69 WeakPolarHBondContact OG-CG2 3.44Å; S66-L70 PolarHBondContact O-N 3.13Å; S66-V79 WeakPolarHBondContact OG-CG1 3.32Å
67P98.4Very high94.8Very high0 Ų037.1 Ų37.10%020%0.203CC..Hα-helixtrans-56.1-43.3-178.8-2735.7000113.3V69 L70 R71 W82 I110 V139P67-V69 VanDerWaalsContact C-N 3.33Å; P67-V69 PolarHBondContact O-N 3.36Å; P67-L70 PolarHBondContact O-N 3.2Å; P67-R71 WeakPolarHBondContact O-CG 3.42Å; P67-R71 PolarHBondContact O-N 2.86Å; P67-W82 HydrophobicContact CG-CD2 4.41Å; P67-W82 HydrophobicContact CG-CE3 4.05Å; P67-W82 HydrophobicContact CG-CH2 3.46Å; P67-W82 VanDerWaalsContact CG-CH2 3.46Å; P67-W82 HydrophobicContact CG-CZ2 3.87Å; P67-W82 HydrophobicContact CG-CZ3 3.55Å; P67-I110 HydrophobicContact CG-CG2 4.34Å; P67-I110 WeakPolarHBondContact CG-O 3.43Å; P67-V139 HydrophobicContact CB-CG1 4.21Å; P67-V139 HydrophobicContact CG-CG1 4.28Å
68E98Very high95.2Very high2 Ų237.1 Ų37.11%0.00920%0.2CC..Hα-helixtrans-64-34.6-179.159.9-83-173.500112.9S66 R71 K72 E73 V79 P141 R144S66-E68 VanDerWaalsContact C-N 3.32Å; S66-E68 VanDerWaalsContact CB-OE1 3.26Å; S66-E68 WeakPolarHBondContact CB-OE1 3.43Å; S66-E68 PolarHBondContact O-N 2.92Å; S66-E68 PolarHBondContact OG-OE1 2.85Å; S66-E68 PolarHBondContact OG-OE2 3.23Å; E68-R71 PolarHBondContact O-N 3.49Å; E68-K72 PolarHBondContact O-N 3.37Å; E68-E73 HydrophobicContact CB-CB 4.15Å; E68-E73 PolarHBondContact O-N 3.44Å; E68-V79 HydrophobicContact CG-CG1 4.38Å; E68-P141 HydrophobicContact CB-CG 4.38Å; E68-P141 HydrophobicContact CG-CG 4.31Å; E68-R144 IonicContact OE1-CZ 3.65Å; E68-R144 IonicContact OE1-NH1 3.58Å; E68-R144 PolarHBondContact OE1-NH1 3.32Å; E68-R144 IonicContact OE1-NH2 2.81Å; E68-R144 PolarHBondContact OE1-NH2 2.8Å; E68-R144 IonicContact OE2-CZ 3.46Å; E68-R144 IonicContact OE2-NH1 3.45Å; E68-R144 IonicContact OE2-NH2 3.52Å; E68-R144 PolarHBondContact OE2-NH2 3.32Å
69V97.4Very high95.5Very high4 Ų432.6 Ų32.62%0.02418%0.182CC..Hα-helixtrans-66.9-43.5173.3177.70000110.5F58 L65 S66 P67 R71 K72 Y75 V79F58-V69 HydrophobicContact CD2-CG1 4.15Å; L65-V69 HydrophobicContact CD2-CG1 4.11Å; S66-V69 PolarHBondContact O-N 3.12Å; S66-V69 WeakPolarHBondContact OG-CG2 3.44Å; P67-V69 VanDerWaalsContact C-N 3.33Å; P67-V69 PolarHBondContact O-N 3.36Å; V69-R71 VanDerWaalsContact C-N 3.3Å; V69-R71 PolarHBondContact O-N 3.27Å; V69-K72 PolarHBondContact O-N 3.21Å; V69-K72 VanDerWaalsContact O-N 3.14Å; V69-Y75 HydrophobicContact CG2-CD1 3.83Å; V69-Y75 HydrophobicContact CG2-CD2 4.29Å; V69-Y75 HydrophobicContact CG2-CE1 4Å; V69-Y75 HydrophobicContact CG2-CE2 4.46Å; V69-Y75 HydrophobicContact CG2-CG 3.96Å; V69-V79 HydrophobicContact CG2-CG1 3.89Å
70L96.8Very high96Very high20 Ų2031.7 Ų31.711%0.10517%0.174CC..Hα-helixtrans-67.6-29.3178.2-64.5-176.6000113.1F58 L65 S66 P67 K72 Y107 I110 K111F58-L70 HydrophobicContact CE2-CD2 3.76Å; F58-L70 HydrophobicContact CZ-CD2 4.08Å; L65-L70 HydrophobicContact CB-CD2 4.03Å; L65-L70 HydrophobicContact CB-CG 4.22Å; L65-L70 HydrophobicContact CD1-CD2 3.65Å; L65-L70 HydrophobicContact CG-CD2 4.48Å; S66-L70 PolarHBondContact O-N 3.13Å; P67-L70 PolarHBondContact O-N 3.2Å; L70-K72 VanDerWaalsContact C-N 3.27Å; L70-Y107 HydrophobicContact CD1-CD1 3.89Å; L70-Y107 HydrophobicContact CD1-CG 4.06Å; L70-Y107 HydrophobicContact CD2-CD1 3.74Å; L70-Y107 HydrophobicContact CD2-CD2 4.16Å; L70-Y107 HydrophobicContact CD2-CE1 3.85Å; L70-Y107 HydrophobicContact CD2-CE2 4.26Å; L70-Y107 HydrophobicContact CD2-CG 3.91Å; L70-I110 HydrophobicContact CD1-CB 3.67Å; L70-I110 HydrophobicContact CD1-CD1 4.15Å; L70-I110 HydrophobicContact CD1-CG2 3.45Å; L70-I110 VanDerWaalsContact CD1-CG2 3.45Å; L70-I110 HydrophobicContact CG-CG2 4.49Å; L70-K111 HydrophobicContact CB-CD 4.08Å; L70-K111 HydrophobicContact CB-CG 3.79Å; L70-K111 HydrophobicContact CD1-CG 4.12Å
71R96.6Very high96.5Very high86 Ų8630.9 Ų30.933%0.32516%0.164SC..THydrogen-bonded Turntrans-81.9-4.1174.2-69.1-173.4-154.7111.71.3113.7P67 E68 V69 E73 K111P67-R71 WeakPolarHBondContact O-CG 3.42Å; P67-R71 PolarHBondContact O-N 2.86Å; E68-R71 PolarHBondContact O-N 3.49Å; V69-R71 VanDerWaalsContact C-N 3.3Å; V69-R71 PolarHBondContact O-N 3.27Å; R71-E73 HydrophobicContact CB-CG 3.78Å; R71-E73 VanDerWaalsContact CD-OE1 3.28Å; R71-E73 WeakPolarHBondContact CD-OE1 3.39Å; R71-E73 IonicContact NH1-OE2 2.8Å; R71-E73 PolarHBondContact NH1-OE2 3.02Å; R71-E73 PolarHBondContact O-N 2.91Å; R71-K111 HydrophobicContact CG-CD 4Å; R71-K111 HydrophobicContact CG-CG 4.19Å; R71-K111 PolarHBondContact NH2-O 3.16Å
72K95.1Very high97Very high158 Ų15829.1 Ų29.169%0.68715%0.154SC*.THydrogen-bonded Turntrans60.634.2-174.4-52.1179.3-180179.50112.9W55 E68 V69 L70W55-K72 HydrophobicContact CH2-CB 4.03Å; W55-K72 HydrophobicContact CH2-CG 4.13Å; W55-K72 HydrophobicContact CZ2-CB 4.42Å; W55-K72 HydrophobicContact CZ2-CG 4.48Å; W55-K72 VanDerWaalsContact CZ3-CA 3.46Å; W55-K72 HydrophobicContact CZ3-CB 4.23Å; E68-K72 PolarHBondContact O-N 3.37Å; V69-K72 PolarHBondContact O-N 3.21Å; V69-K72 VanDerWaalsContact O-N 3.14Å; L70-K72 VanDerWaalsContact C-N 3.27Å
73E96.3Very high97.3Very high77 Ų7727.2 Ų27.236%0.3614%0.142SC..  trans-89152.3176.8-67.9166.1170.500110E68 R71 Y75E68-E73 HydrophobicContact CB-CB 4.15Å; E68-E73 PolarHBondContact O-N 3.44Å; R71-E73 HydrophobicContact CB-CG 3.78Å; R71-E73 VanDerWaalsContact CD-OE1 3.28Å; R71-E73 WeakPolarHBondContact CD-OE1 3.39Å; R71-E73 IonicContact NH1-OE2 2.8Å; R71-E73 PolarHBondContact NH1-OE2 3.02Å; R71-E73 PolarHBondContact O-N 2.91Å; E73-Y75 PolarHBondContact O-N 3.1Å
74P96Very high97.5Very high78 Ų7826.5 Ų26.551%0.50613%0.134SC..  trans-54.2135.1168.9-25.535.5000111.2P53P53-P74 HydrophobicContact CB-CB 3.99Å; P53-P74 HydrophobicContact CG-CB 4.47Å
75Y96.9Very high97.6Very high5 Ų525.5 Ų25.52%0.0213%0.13CC..BIsolated β-bridgetrans-136.5173-175.966.2-97.7000111.6R19 I46 P53 A54 W55 F56 G57 V69 E73 V79R19-Y75 HydrophobicContact CG-CE2 4.42Å; R19-Y75 PolarHBondContact NH1-OH 3.43Å; I46-Y75 HydrophobicContact CD1-CE2 4.32Å; P53-Y75 WeakPolarHBondContact CA-O 3.38Å; A54-Y75 PolarHBondContact N-O 3.09Å; A54-Y75 VanDerWaalsContact N-O 3.08Å; A54-Y75 PolarHBondContact O-N 2.83Å; A54-Y75 VanDerWaalsContact O-O 3.13Å; W55-Y75 AromaticContact CE3-CD1 3.92Å; W55-Y75 HydrophobicContact CE3-CD1 3.92Å; W55-Y75 AromaticContact CE3-CE1 3.76Å; W55-Y75 HydrophobicContact CE3-CE1 3.76Å; W55-Y75 AromaticContact CZ3-CD1 3.97Å; W55-Y75 HydrophobicContact CZ3-CD1 3.97Å; W55-Y75 AromaticContact CZ3-CE1 3.73Å; W55-Y75 HydrophobicContact CZ3-CE1 3.73Å; F56-Y75 HydrophobicContact CB-CE1 4.46Å; F56-Y75 HydrophobicContact CB-CE2 4.17Å; F56-Y75 WeakPolarHBondContact CB-OH 3.42Å; F56-Y75 HydrophobicContact CD2-CD2 4.24Å; F56-Y75 AromaticContact CD2-CE2 3.89Å; F56-Y75 HydrophobicContact CD2-CE2 3.89Å; F56-Y75 WeakPolarHBondContact CE2-O 3.19Å; F56-Y75 HydrophobicContact CG-CE2 4.5Å; G57-Y75 WeakPolarHBondContact O-CE1 3.37Å; G57-Y75 PolarHBondContact O-OH 3.33Å; V69-Y75 HydrophobicContact CG2-CD1 3.83Å; V69-Y75 HydrophobicContact CG2-CD2 4.29Å; V69-Y75 HydrophobicContact CG2-CE1 4Å; V69-Y75 HydrophobicContact CG2-CE2 4.46Å; V69-Y75 HydrophobicContact CG2-CG 3.96Å; E73-Y75 PolarHBondContact O-N 3.1Å; Y75-V79 HydrophobicContact CD2-CG1 3.57Å; Y75-V79 HydrophobicContact CD2-CG2 4.46Å; Y75-V79 HydrophobicContact CE2-CG1 4.42Å; Y75-V79 HydrophobicContact CG-CG1 3.9Å
76G96.6Very high97.6Very high14 Ų1425.2 Ų25.214%0.14413%0.128CC..  trans-162.6-144.8-179.400000111.1A78 V79G76-A78 PolarHBondContact O-N 3.02Å; G76-V79 WeakPolarHBondContact O-CG1 3.3Å; G76-V79 WeakPolarHBondContact O-CG2 3.36Å; G76-V79 PolarHBondContact O-N 2.98Å; G76-V79 VanDerWaalsContact O-N 3.15Å
77K98.1Very high97.6Very high37 Ų3725.3 Ų25.316%0.16113%0.129CC..THydrogen-bonded Turntrans-48.5-33.2-175.6-65.4167.6-175.7172.90114.8H12 N15 V17 V48 G50 D51 V79 D80H12-K77 HydrophobicContact CB-CD 4Å; H12-K77 HydrophobicContact CB-CG 4.23Å; H12-K77 PolarHBondContact CE1-O 3.24Å; H12-K77 PolarHBondContact NE2-O 2.91Å; H12-K77 WeakPolarHBondContact O-CE 3.5Å; H12-K77 PolarHBondContact O-NZ 3.36Å; N15-K77 PolarHBondContact OD1-NZ 3.06Å; N15-K77 VanDerWaalsContact OD1-NZ 3.1Å; V17-K77 HydrophobicContact CG2-CB 4.43Å; V17-K77 HydrophobicContact CG2-CG 3.9Å; V48-K77 HydrophobicContact CG2-CG 4.36Å; G50-K77 VanDerWaalsContact O-CE 3.27Å; G50-K77 WeakPolarHBondContact O-CE 3.43Å; G50-K77 PolarHBondContact O-NZ 3.34Å; G50-K77 VanDerWaalsContact O-NZ 3.13Å; D51-K77 IonicContact OD1-NZ 3.92Å; D51-K77 PolarHBondContact OD1-NZ 2.9Å; K77-V79 PolarHBondContact O-N 2.99Å; K77-V79 VanDerWaalsContact O-N 3.12Å; K77-D80 PolarHBondContact O-N 3.25Å
78A98Very high97.5Very high24 Ų2425.3 Ų25.320%0.19813%0.129CC..Hα-helixtrans-59.7-23.9-177.700000114.5G76 D80 V81 W82 P141 R144G76-A78 PolarHBondContact O-N 3.02Å; A78-D80 VanDerWaalsContact C-N 3.28Å; A78-D80 PolarHBondContact O-N 2.89Å; A78-V81 PolarHBondContact O-N 2.92Å; A78-W82 PolarHBondContact O-N 3.47Å; A78-P141 HydrophobicContact CB-CB 3.81Å; A78-R144 VanDerWaalsContact C-NH1 3.3Å; A78-R144 WeakPolarHBondContact O-CD 3.42Å; A78-R144 PolarHBondContact O-NH1 3.42Å
79V98.3Very high97.5Very high10 Ų1025.4 Ų25.46%0.06113%0.129CC..Hα-helixtrans-63.2-35.8179.2-53.60000111.9V17 R19 S66 E68 V69 Y75 G76 K77 V81 W82 A83V17-V79 HydrophobicContact CG1-CG2 3.48Å; V17-V79 VanDerWaalsContact CG1-CG2 3.48Å; R19-V79 HydrophobicContact CG-CG2 4.32Å; S66-V79 WeakPolarHBondContact OG-CG1 3.32Å; E68-V79 HydrophobicContact CG-CG1 4.38Å; V69-V79 HydrophobicContact CG2-CG1 3.89Å; Y75-V79 HydrophobicContact CD2-CG1 3.57Å; Y75-V79 HydrophobicContact CD2-CG2 4.46Å; Y75-V79 HydrophobicContact CE2-CG1 4.42Å; Y75-V79 HydrophobicContact CG-CG1 3.9Å; G76-V79 WeakPolarHBondContact O-CG1 3.3Å; G76-V79 WeakPolarHBondContact O-CG2 3.36Å; G76-V79 PolarHBondContact O-N 2.98Å; G76-V79 VanDerWaalsContact O-N 3.15Å; K77-V79 PolarHBondContact O-N 2.99Å; K77-V79 VanDerWaalsContact O-N 3.12Å; V79-V81 VanDerWaalsContact C-N 3.33Å; V79-V81 PolarHBondContact O-N 3.12Å; V79-W82 WeakPolarHBondContact O-CB 3.48Å; V79-W82 PolarHBondContact O-N 2.82Å; V79-A83 PolarHBondContact O-N 3.37Å
80D98.5Very high97.4Very high2 Ų225.4 Ų25.41%0.01113%0.129CC..Hα-helixtrans-69.9-34179.4-71.3-21000111.5V8 H12 V17 H18 R19 L21 K77 A78 A83 C84V8-D80 HydrophobicContact CG1-CB 3.91Å; H12-D80 IonicContact CD2-OD2 2.92Å; H12-D80 IonicContact NE2-OD2 2.69Å; H12-D80 PolarHBondContact NE2-OD2 2.89Å; V17-D80 WeakPolarHBondContact CA-OD2 3.27Å; V17-D80 WeakPolarHBondContact CG1-OD2 3.43Å; H18-D80 PolarHBondContact N-OD1 2.64Å; H18-D80 PolarHBondContact N-OD2 3.16Å; R19-D80 PolarHBondContact N-OD1 3.08Å; L21-D80 HydrophobicContact CD1-CB 3.52Å; L21-D80 WeakPolarHBondContact CD1-O 3.49Å; K77-D80 PolarHBondContact O-N 3.25Å; A78-D80 VanDerWaalsContact C-N 3.28Å; A78-D80 PolarHBondContact O-N 2.89Å; D80-A83 PolarHBondContact O-N 3.25Å; D80-C84 PolarHBondContact O-N 2.79Å; D80-C84 PolarHBondContact O-SG 2.92Å
81V98.7Very high97.2Very high3 Ų328.3 Ų28.32%0.01814%0.144CC..Hα-helixtrans-70.1-35.6177-173.30000111.4A78 V79 C84 G85 M136 R144 I145 A147A78-V81 PolarHBondContact O-N 2.92Å; V79-V81 VanDerWaalsContact C-N 3.33Å; V79-V81 PolarHBondContact O-N 3.12Å; V81-C84 WeakPolarHBondContact O-CB 3.28Å; V81-C84 PolarHBondContact O-N 3.2Å; V81-G85 PolarHBondContact O-N 3.5Å; V81-M136 HydrophobicContact CG1-CB 4.22Å; V81-M136 HydrophobicContact CG1-CG 3.83Å; V81-R144 HydrophobicContact CG1-CG 4.42Å; V81-I145 HydrophobicContact CG1-CG2 3.93Å; V81-I145 VanDerWaalsContact CG1-O 3.28Å; V81-I145 WeakPolarHBondContact CG1-O 3.07Å; V81-A147 HydrophobicContact CG2-CB 4.5Å
82W98.8Very high96.9Very high0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-59-50.4171.2177.3-87.5000111.2L65 P67 A78 V79 C84 G85 V86 F98 I110 L137L65-W82 PolarHBondContact O-NE1 2.92Å; P67-W82 HydrophobicContact CG-CD2 4.41Å; P67-W82 HydrophobicContact CG-CE3 4.05Å; P67-W82 HydrophobicContact CG-CH2 3.46Å; P67-W82 VanDerWaalsContact CG-CH2 3.46Å; P67-W82 HydrophobicContact CG-CZ2 3.87Å; P67-W82 HydrophobicContact CG-CZ3 3.55Å; A78-W82 PolarHBondContact O-N 3.47Å; V79-W82 WeakPolarHBondContact O-CB 3.48Å; V79-W82 PolarHBondContact O-N 2.82Å; W82-C84 PolarHBondContact O-N 3.5Å; W82-G85 WeakPolarHBondContact O-CA 3.33Å; W82-G85 PolarHBondContact O-N 3.24Å; W82-V86 PolarHBondContact O-N 3.48Å; W82-V86 VanDerWaalsContact O-N 3.08Å; W82-F98 HydrophobicContact CH2-CE2 4.17Å; W82-F98 AromaticContact CH2-CZ 3.86Å; W82-F98 HydrophobicContact CH2-CZ 3.86Å; W82-F98 HydrophobicContact CZ2-CD2 4.35Å; W82-F98 AromaticContact CZ2-CE2 3.4Å; W82-F98 HydrophobicContact CZ2-CE2 3.4Å; W82-F98 AromaticContact CZ2-CZ 3.54Å; W82-F98 HydrophobicContact CZ2-CZ 3.54Å; W82-I110 HydrophobicContact CZ2-CG2 3.8Å; W82-L137 HydrophobicContact CD2-CD2 3.97Å; W82-L137 HydrophobicContact CE3-CD2 4.17Å; W82-L137 HydrophobicContact CG-CD2 4.43Å; W82-L137 HydrophobicContact CZ2-CD2 4.35Å; W82-L137 HydrophobicContact CZ3-CB 4.28Å; W82-L137 HydrophobicContact CZ3-CD2 4.46Å; W82-L137 VanDerWaalsContact CZ3-O 3.32Å; W82-L137 WeakPolarHBondContact CZ3-O 3.47Å
83A98.5Very high96.7Very high4 Ų418.1 Ų18.13%0.03310%0.104CC..Hα-helixtrans-59.5-36.4177.100000112L21 V79 D80 G85 V86 I87L21-A83 HydrophobicContact CB-CB 3.59Å; L21-A83 HydrophobicContact CD1-CB 4.48Å; V79-A83 PolarHBondContact O-N 3.37Å; D80-A83 PolarHBondContact O-N 3.25Å; A83-G85 VanDerWaalsContact C-N 3.35Å; A83-G85 PolarHBondContact O-N 3.37Å; A83-V86 PolarHBondContact O-N 2.98Å; A83-I87 WeakPolarHBondContact O-CD1 3.31Å; A83-I87 VanDerWaalsContact O-CG1 3.27Å; A83-I87 WeakPolarHBondContact O-CG1 3.36Å; A83-I87 PolarHBondContact O-N 3.22Å
84C98.5Very high96.4Very high3 Ų314.5 Ų14.52%0.029%0.087CC..Hα-helixtrans-61.4-39.6172.1-74.10000112.9M1 D80 V81 W82 I87 L88 M136M1-C84 HydrophobicContact CE-CB 3.49Å; M1-C84 VanDerWaalsContact CE-CB 3.49Å; M1-C84 WeakPolarHBondContact CE-O 3.2Å; D80-C84 PolarHBondContact O-N 2.79Å; D80-C84 PolarHBondContact O-SG 2.92Å; V81-C84 WeakPolarHBondContact O-CB 3.28Å; V81-C84 PolarHBondContact O-N 3.2Å; W82-C84 PolarHBondContact O-N 3.5Å; C84-I87 PolarHBondContact O-N 3.01Å; C84-L88 WeakPolarHBondContact O-CB 3.13Å; C84-L88 PolarHBondContact O-N 3.29Å; C84-M136 HydrophobicContact CB-CE 4.36Å; C84-M136 HydrophobicContact CB-SD 4.08Å
85G98.5Very high96.2Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-61.6-43.8173.600000112.3V81 W82 A83 L88 Y89V81-G85 PolarHBondContact O-N 3.5Å; W82-G85 WeakPolarHBondContact O-CA 3.33Å; W82-G85 PolarHBondContact O-N 3.24Å; A83-G85 VanDerWaalsContact C-N 3.35Å; A83-G85 PolarHBondContact O-N 3.37Å; G85-L88 PolarHBondContact O-N 3.04Å; G85-Y89 WeakPolarHBondContact O-CB 3.23Å; G85-Y89 PolarHBondContact O-N 3.21Å
86V98.5Very high96.1Very high1 Ų114.7 Ų14.71%0.0068%0.082CC..Hα-helixtrans-61.9-45.6175.3178.80000111Y64 W82 A83 Y89 I90 P97 F98 L137Y64-V86 HydrophobicContact CD1-CB 3.95Å; Y64-V86 HydrophobicContact CD1-CG1 3.53Å; Y64-V86 HydrophobicContact CE1-CB 4.3Å; Y64-V86 HydrophobicContact CE1-CG1 3.55Å; Y64-V86 HydrophobicContact CG-CG1 4.45Å; W82-V86 PolarHBondContact O-N 3.48Å; W82-V86 VanDerWaalsContact O-N 3.08Å; A83-V86 PolarHBondContact O-N 2.98Å; V86-Y89 PolarHBondContact O-N 3.48Å; V86-I90 HydrophobicContact CG1-CD1 4.03Å; V86-I90 WeakPolarHBondContact O-CG1 3.38Å; V86-I90 PolarHBondContact O-N 3.11Å; V86-I90 VanDerWaalsContact O-N 3.11Å; V86-P97 HydrophobicContact CB-CG 4.36Å; V86-P97 HydrophobicContact CG1-CG 4.09Å; V86-P97 HydrophobicContact CG2-CG 4.2Å; V86-F98 HydrophobicContact CG2-CD2 4.33Å; V86-F98 HydrophobicContact CG2-CE2 4.17Å; V86-L137 HydrophobicContact CG2-CD2 3.89Å
87I97.3Very high96.2Very high3 Ų314.6 Ų14.62%0.0158%0.079CC..Hα-helixtrans-63.2-44.5177.7-69.3161.4000111I4 L21 L26 Y64 A83 C84 Y89 I90 L91I4-I87 HydrophobicContact CD1-CG2 4.3Å; L21-I87 HydrophobicContact CB-CD1 4.25Å; L26-I87 HydrophobicContact CD1-CD1 4.15Å; L26-I87 HydrophobicContact CD1-CG2 3.96Å; Y64-I87 HydrophobicContact CD1-CG1 4.33Å; Y64-I87 HydrophobicContact CE1-CG1 4.02Å; A83-I87 WeakPolarHBondContact O-CD1 3.31Å; A83-I87 VanDerWaalsContact O-CG1 3.27Å; A83-I87 WeakPolarHBondContact O-CG1 3.36Å; A83-I87 PolarHBondContact O-N 3.22Å; C84-I87 PolarHBondContact O-N 3.01Å; I87-Y89 VanDerWaalsContact C-N 3.35Å; I87-Y89 PolarHBondContact O-N 3.08Å; I87-I90 PolarHBondContact O-N 3.36Å; I87-L91 HydrophobicContact CG2-CD1 3.93Å; I87-L91 HydrophobicContact CG2-CG 4.27Å; I87-L91 VanDerWaalsContact O-CG 3.3Å; I87-L91 WeakPolarHBondContact O-CG 3.32Å; I87-L91 PolarHBondContact O-N 3.26Å
88L96.8Very high96.1Very high1 Ų113 Ų131%0.0057%0.071CC..Hα-helixtrans-60.6-45178.5174.255.1000111.4M1 C84 G85 I90 L91 L92 L132 I133 M136 W155M1-L88 HydrophobicContact CB-CD1 4.4Å; M1-L88 HydrophobicContact CE-CB 4.44Å; M1-L88 HydrophobicContact CG-CB 4.49Å; M1-L88 HydrophobicContact CG-CD1 4.17Å; M1-L88 HydrophobicContact SD-CB 4.01Å; C84-L88 WeakPolarHBondContact O-CB 3.13Å; C84-L88 PolarHBondContact O-N 3.29Å; G85-L88 PolarHBondContact O-N 3.04Å; L88-I90 PolarHBondContact O-N 3.25Å; L88-L91 PolarHBondContact O-N 2.94Å; L88-L92 HydrophobicContact CD1-CD1 4.19Å; L88-L92 HydrophobicContact CD1-CG 4.2Å; L88-L92 HydrophobicContact CG-CD1 4.47Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 3.39Å; L88-L132 HydrophobicContact CD2-CB 4.36Å; L88-L132 HydrophobicContact CD2-CD2 3.81Å; L88-L132 HydrophobicContact CD2-CG 4.02Å; L88-I133 HydrophobicContact CB-CG1 4.39Å; L88-I133 HydrophobicContact CD2-CD1 4.47Å; L88-I133 HydrophobicContact CD2-CG1 3.65Å; L88-I133 HydrophobicContact CG-CD1 4.13Å; L88-I133 HydrophobicContact CG-CG1 3.74Å; L88-M136 HydrophobicContact CD2-SD 4.32Å; L88-W155 HydrophobicContact CD1-CE3 4.43Å; L88-W155 HydrophobicContact CD1-CH2 3.26Å; L88-W155 HydrophobicContact CD1-CZ2 4.27Å; L88-W155 HydrophobicContact CD1-CZ3 3.35Å; L88-W155 HydrophobicContact CD2-CE3 4.28Å; L88-W155 HydrophobicContact CD2-CZ3 3.85Å; L88-W155 HydrophobicContact CG-CH2 4.48Å; L88-W155 HydrophobicContact CG-CZ3 4.26Å
89Y97.3Very high95.9Very high3 Ų317 Ų171%0.0128%0.082CC..Hα-helixtrans-54.9-51.7174.7-171.2-73.4000111G85 V86 I87 L91 L92 V93 Y95 P97 Y115 D116 Y117 W122 I133G85-Y89 WeakPolarHBondContact O-CB 3.23Å; G85-Y89 PolarHBondContact O-N 3.21Å; V86-Y89 PolarHBondContact O-N 3.48Å; I87-Y89 VanDerWaalsContact C-N 3.35Å; I87-Y89 PolarHBondContact O-N 3.08Å; Y89-L91 VanDerWaalsContact C-N 3.3Å; Y89-L91 PolarHBondContact O-N 3.15Å; Y89-L92 PolarHBondContact O-N 2.98Å; Y89-L92 VanDerWaalsContact O-N 3.12Å; Y89-V93 HydrophobicContact CD1-CG2 3.89Å; Y89-V93 HydrophobicContact CE1-CG2 3.62Å; Y89-V93 WeakPolarHBondContact O-CG2 3.45Å; Y89-V93 PolarHBondContact O-N 3.19Å; Y89-Y95 WeakPolarHBondContact CD1-O 3.25Å; Y89-Y95 AromaticContact CE1-CD2 3.81Å; Y89-Y95 HydrophobicContact CE1-CD2 3.81Å; Y89-Y95 AromaticContact CE1-CE2 3.64Å; Y89-Y95 HydrophobicContact CE1-CE2 3.64Å; Y89-Y95 WeakPolarHBondContact CE1-O 3.24Å; Y89-Y95 AromaticContact CZ-CE2 3.97Å; Y89-Y95 WeakPolarHBondContact OH-CE2 3.39Å; Y89-P97 HydrophobicContact CD1-CB 3.94Å; Y89-P97 HydrophobicContact CD1-CG 4.18Å; Y89-P97 HydrophobicContact CD2-CB 3.71Å; Y89-P97 HydrophobicContact CD2-CG 4.33Å; Y89-P97 HydrophobicContact CE1-CB 4.09Å; Y89-P97 HydrophobicContact CE2-CB 3.86Å; Y89-P97 HydrophobicContact CG-CB 3.76Å; Y89-P97 HydrophobicContact CG-CG 3.96Å; Y89-Y115 HydrophobicContact CE2-CD2 4.37Å; Y89-D116 WeakPolarHBondContact CE2-O 3.37Å; Y89-D116 PolarHBondContact OH-O 3.12Å; Y89-D116 VanDerWaalsContact OH-O 3.1Å; Y89-Y117 HydrophobicContact CD2-CE1 4.17Å; Y89-Y117 HydrophobicContact CE2-CD1 4Å; Y89-Y117 AromaticContact CE2-CE1 3.92Å; Y89-Y117 HydrophobicContact CE2-CE1 3.92Å; Y89-W122 AromaticContact CD1-CZ2 3.91Å; Y89-W122 HydrophobicContact CD1-CZ2 3.91Å; Y89-W122 AromaticContact CD2-CH2 3.72Å; Y89-W122 HydrophobicContact CD2-CH2 3.72Å; Y89-W122 AromaticContact CD2-CZ2 3.43Å; Y89-W122 HydrophobicContact CD2-CZ2 3.43Å; Y89-W122 VanDerWaalsContact CD2-CZ2 3.43Å; Y89-W122 AromaticContact CE1-CZ2 3.73Å; Y89-W122 HydrophobicContact CE1-CZ2 3.73Å; Y89-W122 AromaticContact CE2-CE2 3.84Å; Y89-W122 AromaticContact CE2-CH2 3.9Å; Y89-W122 HydrophobicContact CE2-CH2 3.9Å; Y89-W122 AromaticContact CE2-CZ2 3.22Å; Y89-W122 HydrophobicContact CE2-CZ2 3.22Å; Y89-W122 HydrophobicContact CG-CH2 4.11Å; Y89-W122 AromaticContact CG-CZ2 3.77Å; Y89-W122 HydrophobicContact CG-CZ2 3.77Å; Y89-W122 AromaticContact CZ-CE2 3.76Å; Y89-W122 AromaticContact CZ-CZ2 3.38Å; Y89-W122 AromaticContact CZ-NE1 3.68Å; Y89-W122 PolarHBondContact OH-NE1 3.46Å; Y89-I133 HydrophobicContact CD2-CD1 4.32Å; Y89-I133 HydrophobicContact CD2-CG2 4.26Å
90I95.1Very high95.6Very high4 Ų418.3 Ų18.32%0.0219%0.088CC..Hα-helixtrans-60.1-38.8178.6-65.4162.4000111.7Y64 V86 I87 L88 L92 G94 P96 L178 F181Y64-I90 HydrophobicContact CE1-CD1 3.98Å; Y64-I90 WeakPolarHBondContact OH-CD1 3.39Å; V86-I90 HydrophobicContact CG1-CD1 4.03Å; V86-I90 WeakPolarHBondContact O-CG1 3.38Å; V86-I90 PolarHBondContact O-N 3.11Å; V86-I90 VanDerWaalsContact O-N 3.11Å; I87-I90 PolarHBondContact O-N 3.36Å; L88-I90 PolarHBondContact O-N 3.25Å; I90-L92 VanDerWaalsContact C-N 3.26Å; I90-L92 PolarHBondContact O-N 3Å; I90-G94 WeakPolarHBondContact O-CA 3.42Å; I90-G94 PolarHBondContact O-N 3.49Å; I90-P96 HydrophobicContact CD1-CB 4.17Å; I90-P96 HydrophobicContact CG1-CB 4.16Å; I90-L178 HydrophobicContact CG2-CD1 3.74Å; I90-F181 HydrophobicContact CD1-CE1 4.14Å; I90-F181 HydrophobicContact CD1-CZ 3.8Å; I90-F181 HydrophobicContact CG2-CD1 4.06Å; I90-F181 HydrophobicContact CG2-CE1 3.91Å; I90-F181 HydrophobicContact CG2-CZ 4.49Å
91L92.1Very high94.9Very high82 Ų8225.6 Ų25.643%0.42912%0.122SC..Hα-helixtrans-65.6-27.4179.5-74.4173.6000113.2M1 I4 I87 L88 Y89M1-L91 HydrophobicContact SD-CD1 4.4Å; I4-L91 HydrophobicContact CD1-CD1 4.48Å; I87-L91 HydrophobicContact CG2-CD1 3.93Å; I87-L91 HydrophobicContact CG2-CG 4.27Å; I87-L91 VanDerWaalsContact O-CG 3.3Å; I87-L91 WeakPolarHBondContact O-CG 3.32Å; I87-L91 PolarHBondContact O-N 3.26Å; L88-L91 PolarHBondContact O-N 2.94Å; Y89-L91 VanDerWaalsContact C-N 3.3Å; Y89-L91 PolarHBondContact O-N 3.15Å
92L91.4Very high94.4Very high28 Ų2828.6 Ų28.615%0.14714%0.138CC..Hα-helixtrans-84.5-38-178.7-66.7177.2000112.9L88 Y89 I90 W122 V125 A129 I133 W155 T174L88-L92 HydrophobicContact CD1-CD1 4.19Å; L88-L92 HydrophobicContact CD1-CG 4.2Å; L88-L92 HydrophobicContact CG-CD1 4.47Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 3.39Å; Y89-L92 PolarHBondContact O-N 2.98Å; Y89-L92 VanDerWaalsContact O-N 3.12Å; I90-L92 VanDerWaalsContact C-N 3.26Å; I90-L92 PolarHBondContact O-N 3Å; L92-W122 HydrophobicContact CB-CH2 4.22Å; L92-W122 HydrophobicContact CD1-CH2 4.06Å; L92-W122 HydrophobicContact CD1-CZ3 4Å; L92-V125 HydrophobicContact CD1-CG1 3.93Å; L92-A129 HydrophobicContact CD1-CB 3.92Å; L92-I133 HydrophobicContact CD1-CD1 3.81Å; L92-W155 HydrophobicContact CD2-CH2 4.42Å; L92-W155 HydrophobicContact CD2-CZ2 4.03Å; L92-T174 WeakPolarHBondContact O-CG2 3.45Å; L92-T174 PolarHBondContact O-OG1 3.5Å
93V91.2Very high94Very high2 Ų233.5 Ų33.51%0.01216%0.161CC..Hα-helixtrans-125.6-10.8-172.1-62.30000115.4Y89 Y95 E121 W122Y89-V93 HydrophobicContact CD1-CG2 3.89Å; Y89-V93 HydrophobicContact CE1-CG2 3.62Å; Y89-V93 WeakPolarHBondContact O-CG2 3.45Å; Y89-V93 PolarHBondContact O-N 3.19Å; V93-Y95 HydrophobicContact CB-CD1 4.09Å; V93-Y95 HydrophobicContact CB-CE1 3.62Å; V93-Y95 HydrophobicContact CG2-CD1 3.87Å; V93-Y95 HydrophobicContact CG2-CD2 4.14Å; V93-Y95 HydrophobicContact CG2-CE1 3.59Å; V93-Y95 HydrophobicContact CG2-CE2 3.87Å; V93-Y95 HydrophobicContact CG2-CG 4.13Å; V93-Y95 WeakPolarHBondContact O-CD1 3.34Å; V93-E121 HydrophobicContact CG1-CB 4.29Å; V93-W122 HydrophobicContact CB-CZ2 4.26Å; V93-W122 HydrophobicContact CG1-CD2 3.88Å; V93-W122 VanDerWaalsContact CG1-CE2 3.41Å; V93-W122 HydrophobicContact CG1-CG 4.23Å; V93-W122 HydrophobicContact CG1-CH2 4.33Å; V93-W122 HydrophobicContact CG1-CZ2 3.64Å; V93-W122 HydrophobicContact CG2-CZ2 3.58Å
94G89.8Confident93.7Very high1 Ų138.9 Ų38.91%0.0119%0.189CC..SBendtrans85.23.2172.800000115.6I90 C177 F181I90-G94 WeakPolarHBondContact O-CA 3.42Å; I90-G94 PolarHBondContact O-N 3.49Å; G94-C177 CarbonylContact O-C 3.6Å; G94-F181 VanDerWaalsContact O-CB 3.31Å; G94-F181 WeakPolarHBondContact O-CB 3.28Å
95Y91.4Very high93.5Very high57 Ų5746.1 Ų46.122%0.22422%0.216CC..SBendtrans-131.5156173.658.3-96.7000111.1Y89 V93 P118 W122Y89-Y95 WeakPolarHBondContact CD1-O 3.25Å; Y89-Y95 AromaticContact CE1-CD2 3.81Å; Y89-Y95 HydrophobicContact CE1-CD2 3.81Å; Y89-Y95 AromaticContact CE1-CE2 3.64Å; Y89-Y95 HydrophobicContact CE1-CE2 3.64Å; Y89-Y95 WeakPolarHBondContact CE1-O 3.24Å; Y89-Y95 AromaticContact CZ-CE2 3.97Å; Y89-Y95 WeakPolarHBondContact OH-CE2 3.39Å; V93-Y95 HydrophobicContact CB-CD1 4.09Å; V93-Y95 HydrophobicContact CB-CE1 3.62Å; V93-Y95 HydrophobicContact CG2-CD1 3.87Å; V93-Y95 HydrophobicContact CG2-CD2 4.14Å; V93-Y95 HydrophobicContact CG2-CE1 3.59Å; V93-Y95 HydrophobicContact CG2-CE2 3.87Å; V93-Y95 HydrophobicContact CG2-CG 4.13Å; V93-Y95 WeakPolarHBondContact O-CD1 3.34Å; Y95-P118 HydrophobicContact CE2-CG 4.48Å; Y95-P118 WeakPolarHBondContact OH-CG 3.21Å; Y95-W122 AromaticContact CZ-NE1 3.88Å; Y95-W122 VanDerWaalsContact OH-CD1 3.25Å; Y95-W122 PolarHBondContact OH-NE1 2.79Å
96P95.3Very high93.4Very high29 Ų2947 Ų4719%0.18822%0.221CC..  trans-78.2152.5-17732.4-36000112.7I90 F98 W99 F181I90-P96 HydrophobicContact CD1-CB 4.17Å; I90-P96 HydrophobicContact CG1-CB 4.16Å; P96-F98 VanDerWaalsContact C-N 3.32Å; P96-F98 PolarHBondContact O-N 3.4Å; P96-W99 HydrophobicContact CG-CB 4.11Å; P96-W99 HydrophobicContact CG-CG 4.46Å; P96-F181 HydrophobicContact CB-CE2 4.31Å; P96-F181 HydrophobicContact CG-CD2 4.48Å; P96-F181 HydrophobicContact CG-CE2 3.98Å
97P97.7Very high93.3Very high12 Ų1248.3 Ų48.38%0.07823%0.226CC..SBendtrans-70.3-26.2176.526.1-31.9000113.6V86 Y89 Y115 L137V86-P97 HydrophobicContact CB-CG 4.36Å; V86-P97 HydrophobicContact CG1-CG 4.09Å; V86-P97 HydrophobicContact CG2-CG 4.2Å; Y89-P97 HydrophobicContact CD1-CB 3.94Å; Y89-P97 HydrophobicContact CD1-CG 4.18Å; Y89-P97 HydrophobicContact CD2-CB 3.71Å; Y89-P97 HydrophobicContact CD2-CG 4.33Å; Y89-P97 HydrophobicContact CE1-CB 4.09Å; Y89-P97 HydrophobicContact CE2-CB 3.86Å; Y89-P97 HydrophobicContact CG-CB 3.76Å; Y89-P97 HydrophobicContact CG-CG 3.96Å; P97-Y115 HydrophobicContact CB-CG 4.34Å; P97-L137 HydrophobicContact CB-CD1 4.32Å; P97-L137 HydrophobicContact CG-CD1 4.28Å
98F97.4Very high93.3Very high3 Ų351.4 Ų51.41%0.01325%0.248CC..SBendtrans-123.7124.5179.4-48-69.7000108.9W82 V86 P96 L106 Q109 I110 Y115 L137W82-F98 HydrophobicContact CH2-CE2 4.17Å; W82-F98 AromaticContact CH2-CZ 3.86Å; W82-F98 HydrophobicContact CH2-CZ 3.86Å; W82-F98 HydrophobicContact CZ2-CD2 4.35Å; W82-F98 AromaticContact CZ2-CE2 3.4Å; W82-F98 HydrophobicContact CZ2-CE2 3.4Å; W82-F98 AromaticContact CZ2-CZ 3.54Å; W82-F98 HydrophobicContact CZ2-CZ 3.54Å; V86-F98 HydrophobicContact CG2-CD2 4.33Å; V86-F98 HydrophobicContact CG2-CE2 4.17Å; P96-F98 VanDerWaalsContact C-N 3.32Å; P96-F98 PolarHBondContact O-N 3.4Å; F98-L106 HydrophobicContact CB-CD1 3.81Å; F98-Q109 HydrophobicContact CD1-CB 4.22Å; F98-I110 HydrophobicContact CB-CD1 4.49Å; F98-I110 HydrophobicContact CB-CG1 3.79Å; F98-I110 HydrophobicContact CD1-CG1 4.29Å; F98-I110 HydrophobicContact CD2-CG1 3.9Å; F98-I110 HydrophobicContact CG-CG1 3.72Å; F98-Y115 AromaticContact CE1-CD1 3.8Å; F98-Y115 HydrophobicContact CE1-CD1 3.8Å; F98-Y115 HydrophobicContact CE1-CG 4.23Å; F98-Y115 AromaticContact CZ-CD1 3.67Å; F98-Y115 HydrophobicContact CZ-CD1 3.67Å; F98-Y115 HydrophobicContact CZ-CG 4.26Å; F98-L137 HydrophobicContact CE2-CD1 4.34Å; F98-L137 HydrophobicContact CE2-CD2 4.29Å; F98-L137 HydrophobicContact CZ-CD1 4.33Å
99W92.2Very high93.3Very high110 Ų11053.7 Ų53.742%0.41726%0.258SS..  trans-155.7134.5179-169.772.8000111.8P96 E101 Q109 R184P96-W99 HydrophobicContact CG-CB 4.11Å; P96-W99 HydrophobicContact CG-CG 4.46Å; W99-E101 HydrophobicContact CH2-CG 3.4Å; W99-E101 VanDerWaalsContact CH2-CG 3.4Å; W99-E101 HydrophobicContact CZ2-CG 3.65Å; W99-E101 HydrophobicContact CZ3-CG 4.41Å; W99-Q109 PolarHBondContact O-NE2 2.86Å; W99-Q109 PolarHBondContact O-OE1 2.89Å; W99-R184 VanDerWaalsContact CZ2-CZ 3.41Å
100D92.1Very high93.4Very high37 Ų3753.5 Ų53.520%0.19826%0.258CS..  trans-155.2158.9168.5-154-65.8000108.6D102 R105 L106 Q109D100-D102 PolarHBondContact OD1-N 2.76Å; D100-R105 HydrophobicContact CB-CB 3.95Å; D100-R105 WeakPolarHBondContact OD2-CB 3.4Å; D100-R105 WeakPolarHBondContact OD2-CD 3.47Å; D100-L106 HydrophobicContact CB-CB 4.04Å; D100-Q109 PolarHBondContact OD2-NE2 3.28Å
101E85.1Confident93.5Very high155 Ų15557.3 Ų57.372%0.72427%0.274SS*.SBendtrans-78.4-35170.8-60.2-164.7151.400111.1W99W99-E101 HydrophobicContact CH2-CG 3.4Å; W99-E101 VanDerWaalsContact CH2-CG 3.4Å; W99-E101 HydrophobicContact CZ2-CG 3.65Å; W99-E101 HydrophobicContact CZ3-CG 4.41Å
102D88.3Confident93.8Very high65 Ų6557 Ų5735%0.34828%0.279SS..SBendtrans-81.9116.1172.5-177.1-18.9000109.6D100 N104 R105 L106D100-D102 PolarHBondContact OD1-N 2.76Å; D102-N104 PolarHBondContact O-N 3.26Å; D102-N104 VanDerWaalsContact OD1-CB 3.3Å; D102-N104 WeakPolarHBondContact OD1-CB 3.48Å; D102-N104 PolarHBondContact OD1-N 3.05Å; D102-N104 PolarHBondContact OD1-ND2 2.98Å; D102-R105 HydrophobicContact CB-CB 4.14Å; D102-R105 HydrophobicContact CB-CG 3.9Å; D102-R105 PolarHBondContact O-N 3.2Å; D102-R105 VanDerWaalsContact O-N 3.08Å; D102-R105 IonicContact OD2-NE 3.73Å; D102-L106 PolarHBondContact O-N 3.5Å
103Q89.1Confident94Very high104 Ų10456.4 Ų56.449%0.48628%0.279SS..Hα-helixtrans-57.6-33.2179.4-168.3177.9-83.400112.8L106 Y107Q103-L106 PolarHBondContact O-N 3.22Å; Q103-Y107 HydrophobicContact CG-CD1 4.37Å; Q103-Y107 HydrophobicContact CG-CD2 4.24Å; Q103-Y107 HydrophobicContact CG-CE1 3.87Å; Q103-Y107 HydrophobicContact CG-CE2 3.73Å; Q103-Y107 PolarHBondContact NE2-OH 2.84Å; Q103-Y107 WeakPolarHBondContact O-CB 3.21Å; Q103-Y107 PolarHBondContact O-N 2.82Å
104N92.1Very high94.3Very high117 Ų11758.8 Ų58.863%0.62630%0.299SS*.Hα-helixtrans-68.8-38.1178.2-64.1-51.6000111.7D102 Y107 S108D102-N104 PolarHBondContact O-N 3.26Å; D102-N104 VanDerWaalsContact OD1-CB 3.3Å; D102-N104 WeakPolarHBondContact OD1-CB 3.48Å; D102-N104 PolarHBondContact OD1-N 3.05Å; D102-N104 PolarHBondContact OD1-ND2 2.98Å; N104-Y107 PolarHBondContact O-N 3.25Å; N104-S108 WeakPolarHBondContact O-CB 3.34Å; N104-S108 PolarHBondContact O-N 3.03Å
105R95.1Very high94.7Very high155 Ų15561.1 Ų61.159%0.58531%0.308SS*.Hα-helixtrans-68.8-43.5175.4-65.9-176.8-176-166.9-2.9111.1D100 D102 Y107 S108 Q109D100-R105 HydrophobicContact CB-CB 3.95Å; D100-R105 WeakPolarHBondContact OD2-CB 3.4Å; D100-R105 WeakPolarHBondContact OD2-CD 3.47Å; D102-R105 HydrophobicContact CB-CB 4.14Å; D102-R105 HydrophobicContact CB-CG 3.9Å; D102-R105 PolarHBondContact O-N 3.2Å; D102-R105 VanDerWaalsContact O-N 3.08Å; D102-R105 IonicContact OD2-NE 3.73Å; R105-Y107 VanDerWaalsContact C-N 3.32Å; R105-Y107 PolarHBondContact O-N 2.69Å; R105-S108 WeakPolarHBondContact O-CA 3.46Å; R105-S108 WeakPolarHBondContact O-CB 3.42Å; R105-S108 PolarHBondContact O-N 3.01Å; R105-Q109 WeakPolarHBondContact O-CG 3.41Å; R105-Q109 PolarHBondContact O-N 2.82Å
106L95.7Very high95Very high17 Ų1763.3 Ų63.39%0.08932%0.324CS..Hα-helixtrans-54.1-49.5171.4172.962.6000111P62 F98 D100 D102 Q103 S108 Q109 I110P62-L106 HydrophobicContact CB-CD2 4.15Å; F98-L106 HydrophobicContact CB-CD1 3.81Å; D100-L106 HydrophobicContact CB-CB 4.04Å; D102-L106 PolarHBondContact O-N 3.5Å; Q103-L106 PolarHBondContact O-N 3.22Å; L106-S108 VanDerWaalsContact C-N 3.27Å; L106-S108 PolarHBondContact O-N 2.81Å; L106-Q109 PolarHBondContact O-N 2.72Å; L106-I110 HydrophobicContact CD1-CD1 3.99Å; L106-I110 HydrophobicContact CD1-CG1 4.35Å; L106-I110 HydrophobicContact CG-CD1 4.03Å; L106-I110 WeakPolarHBondContact O-CG1 3.29Å; L106-I110 PolarHBondContact O-N 2.97Å
107Y97.2Very high95.1Very high30 Ų3064.4 Ų64.412%0.11832%0.324CS..Hα-helixtrans-64.2-32.4177.7-69.5-8.9000112.8F58 P62 L65 L70 Q103 N104 R105 K111F58-Y107 HydrophobicContact CZ-CE2 4.33Å; P62-Y107 HydrophobicContact CB-CE1 3.95Å; L65-Y107 HydrophobicContact CD1-CE1 4.27Å; L70-Y107 HydrophobicContact CD1-CD1 3.89Å; L70-Y107 HydrophobicContact CD1-CG 4.06Å; L70-Y107 HydrophobicContact CD2-CD1 3.74Å; L70-Y107 HydrophobicContact CD2-CD2 4.16Å; L70-Y107 HydrophobicContact CD2-CE1 3.85Å; L70-Y107 HydrophobicContact CD2-CE2 4.26Å; L70-Y107 HydrophobicContact CD2-CG 3.91Å; Q103-Y107 HydrophobicContact CG-CD1 4.37Å; Q103-Y107 HydrophobicContact CG-CD2 4.24Å; Q103-Y107 HydrophobicContact CG-CE1 3.87Å; Q103-Y107 HydrophobicContact CG-CE2 3.73Å; Q103-Y107 PolarHBondContact NE2-OH 2.84Å; Q103-Y107 WeakPolarHBondContact O-CB 3.21Å; Q103-Y107 PolarHBondContact O-N 2.82Å; N104-Y107 PolarHBondContact O-N 3.25Å; R105-Y107 VanDerWaalsContact C-N 3.32Å; R105-Y107 PolarHBondContact O-N 2.69Å; Y107-K111 VanDerWaalsContact O-CB 3.32Å; Y107-K111 WeakPolarHBondContact O-CB 3.42Å; Y107-K111 VanDerWaalsContact O-CE 3.23Å; Y107-K111 WeakPolarHBondContact O-CE 3.18Å; Y107-K111 VanDerWaalsContact O-CG 3.25Å; Y107-K111 WeakPolarHBondContact O-CG 3.45Å; Y107-K111 PolarHBondContact O-N 2.8Å
108S97Very high94.9Very high68 Ų6865.8 Ų65.848%0.47633%0.333SS..Hα-helixtrans-64.7-48.5173.1-164.10000111.4N104 R105 L106 I110 K111 S112N104-S108 WeakPolarHBondContact O-CB 3.34Å; N104-S108 PolarHBondContact O-N 3.03Å; R105-S108 WeakPolarHBondContact O-CA 3.46Å; R105-S108 WeakPolarHBondContact O-CB 3.42Å; R105-S108 PolarHBondContact O-N 3.01Å; L106-S108 VanDerWaalsContact C-N 3.27Å; L106-S108 PolarHBondContact O-N 2.81Å; S108-I110 PolarHBondContact O-N 3.46Å; S108-K111 PolarHBondContact O-N 2.85Å; S108-S112 PolarHBondContact O-N 3.4Å; S108-S112 PolarHBondContact O-OG 2.87Å; S108-S112 VanDerWaalsContact O-OG 3.1Å
109Q97.4Very high94.7Very high48 Ų4869.6 Ų69.622%0.22436%0.36CS..Hα-helixtrans-57.3-46.8177.4-66.6174.223.900111.6F98 W99 D100 R105 L106 S112 G113 A114F98-Q109 HydrophobicContact CD1-CB 4.22Å; W99-Q109 PolarHBondContact O-NE2 2.86Å; W99-Q109 PolarHBondContact O-OE1 2.89Å; D100-Q109 PolarHBondContact OD2-NE2 3.28Å; R105-Q109 WeakPolarHBondContact O-CG 3.41Å; R105-Q109 PolarHBondContact O-N 2.82Å; L106-Q109 PolarHBondContact O-N 2.72Å; Q109-S112 PolarHBondContact O-N 2.91Å; Q109-S112 PolarHBondContact O-OG 3.34Å; Q109-S112 VanDerWaalsContact O-OG 3.09Å; Q109-G113 PolarHBondContact O-N 3.46Å; Q109-A114 PolarHBondContact O-N 2.95Å
110I98.1Very high94.7Very high0 Ų068.1 Ų68.10%037%0.365CS..Hα-helixtrans-61.1-50177.4-66.6169.3000110.1P62 L65 P67 L70 W82 F98 L106 S108 S112 G113P62-I110 VanDerWaalsContact O-CD1 3.29Å; P62-I110 WeakPolarHBondContact O-CD1 3.27Å; L65-I110 VanDerWaalsContact O-CG2 3.24Å; L65-I110 WeakPolarHBondContact O-CG2 3.44Å; P67-I110 HydrophobicContact CG-CG2 4.34Å; P67-I110 WeakPolarHBondContact CG-O 3.43Å; L70-I110 HydrophobicContact CD1-CB 3.67Å; L70-I110 HydrophobicContact CD1-CD1 4.15Å; L70-I110 HydrophobicContact CD1-CG2 3.45Å; L70-I110 VanDerWaalsContact CD1-CG2 3.45Å; L70-I110 HydrophobicContact CG-CG2 4.49Å; W82-I110 HydrophobicContact CZ2-CG2 3.8Å; F98-I110 HydrophobicContact CB-CD1 4.49Å; F98-I110 HydrophobicContact CB-CG1 3.79Å; F98-I110 HydrophobicContact CD1-CG1 4.29Å; F98-I110 HydrophobicContact CD2-CG1 3.9Å; F98-I110 HydrophobicContact CG-CG1 3.72Å; L106-I110 HydrophobicContact CD1-CD1 3.99Å; L106-I110 HydrophobicContact CD1-CG1 4.35Å; L106-I110 HydrophobicContact CG-CD1 4.03Å; L106-I110 WeakPolarHBondContact O-CG1 3.29Å; L106-I110 PolarHBondContact O-N 2.97Å; S108-I110 PolarHBondContact O-N 3.46Å; I110-S112 VanDerWaalsContact C-N 3.26Å; I110-S112 PolarHBondContact O-N 3.04Å; I110-G113 PolarHBondContact O-N 3.25Å
111K97.9Very high94.5Very high83 Ų8369.4 Ų69.436%0.36137%0.37SS..Hα-helixtrans-61.1-32.1-179.4-78.2-177.7-63.1179.70113.1L70 R71 Y107 S108L70-K111 HydrophobicContact CB-CD 4.08Å; L70-K111 HydrophobicContact CB-CG 3.79Å; L70-K111 HydrophobicContact CD1-CG 4.12Å; R71-K111 HydrophobicContact CG-CD 4Å; R71-K111 HydrophobicContact CG-CG 4.19Å; R71-K111 PolarHBondContact NH2-O 3.16Å; Y107-K111 VanDerWaalsContact O-CB 3.32Å; Y107-K111 WeakPolarHBondContact O-CB 3.42Å; Y107-K111 VanDerWaalsContact O-CE 3.23Å; Y107-K111 WeakPolarHBondContact O-CE 3.18Å; Y107-K111 VanDerWaalsContact O-CG 3.25Å; Y107-K111 WeakPolarHBondContact O-CG 3.45Å; Y107-K111 PolarHBondContact O-N 2.8Å; S108-K111 PolarHBondContact O-N 2.85Å
112S97.3Very high94.9Very high76 Ų7662 Ų6253%0.53134%0.335SS..Hα-helixtrans-86.5-10.6175.358.20000113.5S108 Q109 I110 A114S108-S112 PolarHBondContact O-N 3.4Å; S108-S112 PolarHBondContact O-OG 2.87Å; S108-S112 VanDerWaalsContact O-OG 3.1Å; Q109-S112 PolarHBondContact O-N 2.91Å; Q109-S112 PolarHBondContact O-OG 3.34Å; Q109-S112 VanDerWaalsContact O-OG 3.09Å; I110-S112 VanDerWaalsContact C-N 3.26Å; I110-S112 PolarHBondContact O-N 3.04Å; S112-A114 PolarHBondContact O-N 3.4Å; S112-A114 VanDerWaalsContact OG-CB 3.28Å; S112-A114 WeakPolarHBondContact OG-CB 3.42Å
113G97.2Very high95Very high15 Ų1563.8 Ų63.816%0.15535%0.345CS..THydrogen-bonded Turntrans62.334-169.400000112.1Q109 I110 Y115Q109-G113 PolarHBondContact O-N 3.46Å; I110-G113 PolarHBondContact O-N 3.25Å; G113-Y115 VanDerWaalsContact O-CD1 3.31Å; G113-Y115 WeakPolarHBondContact O-CD1 3.3Å; G113-Y115 PolarHBondContact O-N 2.87Å; G113-Y115 VanDerWaalsContact O-N 3.12Å
114A97.1Very high94.9Very high53 Ų5362.5 Ų62.544%0.43834%0.344SS..  trans-82.189-178.200000110.3Q109 S112Q109-A114 PolarHBondContact O-N 2.95Å; S112-A114 PolarHBondContact O-N 3.4Å; S112-A114 VanDerWaalsContact OG-CB 3.28Å; S112-A114 WeakPolarHBondContact OG-CB 3.42Å
115Y97.9Very high94.8Very high49 Ų4957.2 Ų57.219%0.19232%0.316CS..  trans-133.5159.4167.767.8-83.9000108.8Y89 P97 F98 G113 Y117 I133 N134 L137Y89-Y115 HydrophobicContact CE2-CD2 4.37Å; P97-Y115 HydrophobicContact CB-CG 4.34Å; F98-Y115 AromaticContact CE1-CD1 3.8Å; F98-Y115 HydrophobicContact CE1-CD1 3.8Å; F98-Y115 HydrophobicContact CE1-CG 4.23Å; F98-Y115 AromaticContact CZ-CD1 3.67Å; F98-Y115 HydrophobicContact CZ-CD1 3.67Å; F98-Y115 HydrophobicContact CZ-CG 4.26Å; G113-Y115 VanDerWaalsContact O-CD1 3.31Å; G113-Y115 WeakPolarHBondContact O-CD1 3.3Å; G113-Y115 PolarHBondContact O-N 2.87Å; G113-Y115 VanDerWaalsContact O-N 3.12Å; Y115-Y117 HydrophobicContact CD2-CE1 4.49Å; Y115-Y117 HydrophobicContact CE2-CE1 4.27Å; Y115-Y117 HydrophobicContact CE2-CE2 4.34Å; Y115-Y117 AromaticContact CE2-CZ 3.83Å; Y115-I133 HydrophobicContact CE2-CG2 4.17Å; Y115-N134 WeakPolarHBondContact OH-CA 3.44Å; Y115-N134 PolarHBondContact OH-OD1 3.2Å; Y115-L137 HydrophobicContact CD1-CB 4.35Å; Y115-L137 HydrophobicContact CD1-CD1 3.97Å; Y115-L137 HydrophobicContact CD2-CD1 4.25Å; Y115-L137 HydrophobicContact CE1-CB 3.57Å; Y115-L137 HydrophobicContact CE1-CD1 3.85Å; Y115-L137 HydrophobicContact CE1-CG 4.38Å; Y115-L137 HydrophobicContact CE2-CD1 4.16Å; Y115-L137 HydrophobicContact CG-CD1 4.18Å
116D97.2Very high94.6Very high104 Ų10451.7 Ų51.756%0.55630%0.3SS*.  trans-135.6-172.4179.462.5-4.8000111.3Y89Y89-D116 WeakPolarHBondContact CE2-O 3.37Å; Y89-D116 PolarHBondContact OH-O 3.12Å; Y89-D116 VanDerWaalsContact OH-O 3.1Å
117Y97.1Very high94.4Very high51 Ų5155.5 Ų55.520%0.233%0.326CS..  trans-130.476178.8-63.3-54.9000108.7Y89 Y115 W122 K130 I133 N134Y89-Y117 HydrophobicContact CD2-CE1 4.17Å; Y89-Y117 HydrophobicContact CE2-CD1 4Å; Y89-Y117 AromaticContact CE2-CE1 3.92Å; Y89-Y117 HydrophobicContact CE2-CE1 3.92Å; Y115-Y117 HydrophobicContact CD2-CE1 4.49Å; Y115-Y117 HydrophobicContact CE2-CE1 4.27Å; Y115-Y117 HydrophobicContact CE2-CE2 4.34Å; Y115-Y117 AromaticContact CE2-CZ 3.83Å; Y117-W122 AromaticContact CD1-CD2 3.42Å; Y117-W122 HydrophobicContact CD1-CD2 3.42Å; Y117-W122 VanDerWaalsContact CD1-CD2 3.42Å; Y117-W122 AromaticContact CD1-CE2 3.61Å; Y117-W122 AromaticContact CD1-CE3 3.4Å; Y117-W122 HydrophobicContact CD1-CE3 3.4Å; Y117-W122 VanDerWaalsContact CD1-CE3 3.4Å; Y117-W122 HydrophobicContact CD1-CG 4.09Å; Y117-W122 AromaticContact CD1-CH2 3.85Å; Y117-W122 HydrophobicContact CD1-CH2 3.85Å; Y117-W122 AromaticContact CD1-CZ2 3.86Å; Y117-W122 HydrophobicContact CD1-CZ2 3.86Å; Y117-W122 AromaticContact CD1-CZ3 3.6Å; Y117-W122 HydrophobicContact CD1-CZ3 3.6Å; Y117-W122 HydrophobicContact CE1-CD2 4.28Å; Y117-W122 AromaticContact CE1-CE3 3.93Å; Y117-W122 HydrophobicContact CE1-CE3 3.93Å; Y117-W122 AromaticContact CE1-CH2 3.75Å; Y117-W122 HydrophobicContact CE1-CH2 3.75Å; Y117-W122 HydrophobicContact CE1-CZ2 4.11Å; Y117-W122 AromaticContact CE1-CZ3 3.62Å; Y117-W122 HydrophobicContact CE1-CZ3 3.62Å; Y117-W122 HydrophobicContact CG-CD2 4.09Å; Y117-W122 HydrophobicContact CG-CE3 4.13Å; Y117-W122 HydrophobicContact CG-CG 4.36Å; Y117-K130 HydrophobicContact CD1-CG 4.39Å; Y117-K130 HydrophobicContact CD2-CB 4.47Å; Y117-K130 HydrophobicContact CD2-CD 4.05Å; Y117-K130 HydrophobicContact CD2-CG 4.25Å; Y117-K130 HydrophobicContact CE1-CG 4.25Å; Y117-K130 HydrophobicContact CE2-CB 3.91Å; Y117-K130 HydrophobicContact CE2-CD 4.35Å; Y117-K130 HydrophobicContact CE2-CG 4.11Å; Y117-K130 HydrophobicContact CG-CD 4.23Å; Y117-K130 HydrophobicContact CG-CG 4.37Å; Y117-K130 PolarHBondContact OH-O 2.88Å; Y117-K130 VanDerWaalsContact OH-O 3.08Å; Y117-I133 HydrophobicContact CE1-CD1 4.4Å; Y117-I133 HydrophobicContact CE1-CG2 4.26Å; Y117-I133 WeakPolarHBondContact OH-CB 3.39Å; Y117-I133 WeakPolarHBondContact OH-CG2 3.39Å; Y117-N134 PolarHBondContact OH-OD1 3.46Å
118P95.3Very high94.2Very high41 Ų4158.4 Ų58.427%0.26634%0.34SS..  trans-67143.8-17227.8-36.1000111.8Y95 W122Y95-P118 HydrophobicContact CE2-CG 4.48Å; Y95-P118 WeakPolarHBondContact OH-CG 3.21Å; P118-W122 VanDerWaalsContact CD-CD1 3.44Å; P118-W122 WeakPolarHBondContact O-CB 3.29Å; P118-W122 VanDerWaalsContact O-CD1 3.3Å; P118-W122 PolarHBondContact O-N 3.19Å
119S93Very high94Very high83 Ų8355.2 Ų55.258%0.5832%0.318SS*.THydrogen-bonded Turntrans-79.5148.3169.6-58.40000109.9D123S119-D123 WeakPolarHBondContact CB-OD1 3.33Å; S119-D123 WeakPolarHBondContact CB-OD2 3.48Å; S119-D123 PolarHBondContact OG-OD1 3.1Å; S119-D123 PolarHBondContact OG-OD2 3.02Å
120P91.9Very high93.9Very high80 Ų8055.1 Ų55.152%0.51932%0.317SS..THydrogen-bonded Turncis-92.4-12.47.935.4-35.8000114.9W122 D123P120-W122 VanDerWaalsContact C-N 3.28Å; P120-W122 PolarHBondContact O-N 3.36Å; P120-D123 WeakPolarHBondContact O-CB 3.42Å; P120-D123 PolarHBondContact O-N 3.05Å; P120-D123 VanDerWaalsContact O-N 3.09Å
121E88.2Confident93.9Very high63 Ų6358.8 Ų58.829%0.29434%0.336SS..THydrogen-bonded Turntrans-64.7-34.9-165.3-5380.9-173.300112.1V93V93-E121 HydrophobicContact CG1-CB 4.29Å
122W92.5Very high93.8Very high0 Ų054.8 Ų54.80%032%0.319CS..THydrogen-bonded Turntrans-83.4-10.3179.3-75.794.2000114.9Y89 L92 V93 Y95 Y117 P118 P120 T124 V125 K130 I133Y89-W122 AromaticContact CD1-CZ2 3.91Å; Y89-W122 HydrophobicContact CD1-CZ2 3.91Å; Y89-W122 AromaticContact CD2-CH2 3.72Å; Y89-W122 HydrophobicContact CD2-CH2 3.72Å; Y89-W122 AromaticContact CD2-CZ2 3.43Å; Y89-W122 HydrophobicContact CD2-CZ2 3.43Å; Y89-W122 VanDerWaalsContact CD2-CZ2 3.43Å; Y89-W122 AromaticContact CE1-CZ2 3.73Å; Y89-W122 HydrophobicContact CE1-CZ2 3.73Å; Y89-W122 AromaticContact CE2-CE2 3.84Å; Y89-W122 AromaticContact CE2-CH2 3.9Å; Y89-W122 HydrophobicContact CE2-CH2 3.9Å; Y89-W122 AromaticContact CE2-CZ2 3.22Å; Y89-W122 HydrophobicContact CE2-CZ2 3.22Å; Y89-W122 HydrophobicContact CG-CH2 4.11Å; Y89-W122 AromaticContact CG-CZ2 3.77Å; Y89-W122 HydrophobicContact CG-CZ2 3.77Å; Y89-W122 AromaticContact CZ-CE2 3.76Å; Y89-W122 AromaticContact CZ-CZ2 3.38Å; Y89-W122 AromaticContact CZ-NE1 3.68Å; Y89-W122 PolarHBondContact OH-NE1 3.46Å; L92-W122 HydrophobicContact CB-CH2 4.22Å; L92-W122 HydrophobicContact CD1-CH2 4.06Å; L92-W122 HydrophobicContact CD1-CZ3 4Å; V93-W122 HydrophobicContact CB-CZ2 4.26Å; V93-W122 HydrophobicContact CG1-CD2 3.88Å; V93-W122 VanDerWaalsContact CG1-CE2 3.41Å; V93-W122 HydrophobicContact CG1-CG 4.23Å; V93-W122 HydrophobicContact CG1-CH2 4.33Å; V93-W122 HydrophobicContact CG1-CZ2 3.64Å; V93-W122 HydrophobicContact CG2-CZ2 3.58Å; Y95-W122 AromaticContact CZ-NE1 3.88Å; Y95-W122 VanDerWaalsContact OH-CD1 3.25Å; Y95-W122 PolarHBondContact OH-NE1 2.79Å; Y117-W122 AromaticContact CD1-CD2 3.42Å; Y117-W122 HydrophobicContact CD1-CD2 3.42Å; Y117-W122 VanDerWaalsContact CD1-CD2 3.42Å; Y117-W122 AromaticContact CD1-CE2 3.61Å; Y117-W122 AromaticContact CD1-CE3 3.4Å; Y117-W122 HydrophobicContact CD1-CE3 3.4Å; Y117-W122 VanDerWaalsContact CD1-CE3 3.4Å; Y117-W122 HydrophobicContact CD1-CG 4.09Å; Y117-W122 AromaticContact CD1-CH2 3.85Å; Y117-W122 HydrophobicContact CD1-CH2 3.85Å; Y117-W122 AromaticContact CD1-CZ2 3.86Å; Y117-W122 HydrophobicContact CD1-CZ2 3.86Å; Y117-W122 AromaticContact CD1-CZ3 3.6Å; Y117-W122 HydrophobicContact CD1-CZ3 3.6Å; Y117-W122 HydrophobicContact CE1-CD2 4.28Å; Y117-W122 AromaticContact CE1-CE3 3.93Å; Y117-W122 HydrophobicContact CE1-CE3 3.93Å; Y117-W122 AromaticContact CE1-CH2 3.75Å; Y117-W122 HydrophobicContact CE1-CH2 3.75Å; Y117-W122 HydrophobicContact CE1-CZ2 4.11Å; Y117-W122 AromaticContact CE1-CZ3 3.62Å; Y117-W122 HydrophobicContact CE1-CZ3 3.62Å; Y117-W122 HydrophobicContact CG-CD2 4.09Å; Y117-W122 HydrophobicContact CG-CE3 4.13Å; Y117-W122 HydrophobicContact CG-CG 4.36Å; P118-W122 VanDerWaalsContact CD-CD1 3.44Å; P118-W122 WeakPolarHBondContact O-CB 3.29Å; P118-W122 VanDerWaalsContact O-CD1 3.3Å; P118-W122 PolarHBondContact O-N 3.19Å; P120-W122 VanDerWaalsContact C-N 3.28Å; P120-W122 PolarHBondContact O-N 3.36Å; W122-T124 PolarHBondContact O-N 2.67Å; W122-V125 HydrophobicContact CD2-CG2 4.42Å; W122-V125 HydrophobicContact CE3-CB 3.73Å; W122-V125 HydrophobicContact CE3-CG1 3.7Å; W122-V125 HydrophobicContact CE3-CG2 3.87Å; W122-V125 HydrophobicContact CZ3-CB 4.22Å; W122-V125 HydrophobicContact CZ3-CG1 3.67Å; W122-V125 HydrophobicContact CZ3-CG2 4.35Å; W122-V125 PolarHBondContact O-N 3.35Å; W122-V125 VanDerWaalsContact O-N 3.12Å; W122-K130 HydrophobicContact CE3-CD 4.44Å; W122-K130 HydrophobicContact CE3-CG 3.99Å; W122-K130 HydrophobicContact CZ3-CG 4.09Å; W122-K130 WeakPolarHBondContact O-CE 3.43Å; W122-K130 PolarHBondContact O-NZ 3.4Å; W122-I133 HydrophobicContact CH2-CD1 3.48Å; W122-I133 VanDerWaalsContact CH2-CD1 3.48Å; W122-I133 HydrophobicContact CZ3-CD1 3.85Å
123D90.2Very high93.9Very high102 Ų10251.2 Ų51.255%0.54529%0.294SS..THydrogen-bonded Turntrans-66-32-177-65.3-12.1000111.1S119 P120S119-D123 WeakPolarHBondContact CB-OD1 3.33Å; S119-D123 WeakPolarHBondContact CB-OD2 3.48Å; S119-D123 PolarHBondContact OG-OD1 3.1Å; S119-D123 PolarHBondContact OG-OD2 3.02Å; P120-D123 WeakPolarHBondContact O-CB 3.42Å; P120-D123 PolarHBondContact O-N 3.05Å; P120-D123 VanDerWaalsContact O-N 3.09Å
124T87.6Confident93.9Very high77 Ų7753.5 Ų53.547%0.47230%0.303SS..THydrogen-bonded Turntrans-84.7-9.8177.470.20000113.6W122 R171W122-T124 PolarHBondContact O-N 2.67Å; T124-R171 PolarHBondContact O-NH2 2.79Å; T124-R171 PolarHBondContact OG1-NE 3.1Å; T124-R171 VanDerWaalsContact OG1-NE 3.15Å; T124-R171 PolarHBondContact OG1-NH2 3.46Å
125V89Confident94Very high6 Ų653.8 Ų53.84%0.03630%0.296CS..SBendtrans-83.4129.6-175.5177.20000109.9L92 W122 A129 K130L92-V125 HydrophobicContact CD1-CG1 3.93Å; W122-V125 HydrophobicContact CD2-CG2 4.42Å; W122-V125 HydrophobicContact CE3-CB 3.73Å; W122-V125 HydrophobicContact CE3-CG1 3.7Å; W122-V125 HydrophobicContact CE3-CG2 3.87Å; W122-V125 HydrophobicContact CZ3-CB 4.22Å; W122-V125 HydrophobicContact CZ3-CG1 3.67Å; W122-V125 HydrophobicContact CZ3-CG2 4.35Å; W122-V125 PolarHBondContact O-N 3.35Å; W122-V125 VanDerWaalsContact O-N 3.12Å; V125-A129 HydrophobicContact CG1-CB 3.72Å; V125-K130 HydrophobicContact CG1-CG 4.35Å
126T91.1Very high94Very high40 Ų4051.5 Ų51.525%0.24529%0.287CS..  trans-63.1147.1-171.285.70000112.2E128 A129 K130 V165T126-E128 WeakPolarHBondContact CB-OE2 3.39Å; T126-E128 PolarHBondContact O-N 3.46Å; T126-E128 PolarHBondContact OG1-OE2 3.08Å; T126-A129 WeakPolarHBondContact O-CB 3.45Å; T126-A129 PolarHBondContact O-N 3.09Å; T126-A129 PolarHBondContact OG1-N 3.33Å; T126-K130 PolarHBondContact O-N 3.43Å; T126-V165 HydrophobicContact CG2-CG1 4.43Å
127P92.1Very high94.1Very high97 Ų9746.7 Ų46.763%0.6326%0.262SS*.Hα-helixtrans-55.9-33.6177.4-26.235.5000113.4A129 K130 N131P127-A129 VanDerWaalsContact C-N 3.34Å; P127-A129 PolarHBondContact O-N 3.12Å; P127-K130 PolarHBondContact O-N 2.79Å; P127-N131 WeakPolarHBondContact O-CB 3.17Å; P127-N131 PolarHBondContact O-N 3.36Å
128E92.2Very high94.2Very high90 Ų9045.8 Ų45.842%0.42126%0.262SS..Hα-helixtrans-68.8-33.2178.5-52.873.5-161.500111.8T126 N131 L132 H153 W155T126-E128 WeakPolarHBondContact CB-OE2 3.39Å; T126-E128 PolarHBondContact O-N 3.46Å; T126-E128 PolarHBondContact OG1-OE2 3.08Å; E128-N131 PolarHBondContact O-N 3.49Å; E128-L132 PolarHBondContact O-N 2.92Å; E128-H153 PolarHBondContact O-CE1 3.27Å; E128-H153 VanDerWaalsContact O-CE1 3.26Å; E128-W155 HydrophobicContact CB-CB 3.88Å; E128-W155 HydrophobicContact CB-CG 4.29Å
129A93.2Very high94.3Very high1 Ų145.8 Ų45.81%0.00826%0.261CS..Hα-helixtrans-66.3-46.7174.500000110.7L92 V125 T126 P127 N131 L132 I133 W155L92-A129 HydrophobicContact CD1-CB 3.92Å; V125-A129 HydrophobicContact CG1-CB 3.72Å; T126-A129 WeakPolarHBondContact O-CB 3.45Å; T126-A129 PolarHBondContact O-N 3.09Å; T126-A129 PolarHBondContact OG1-N 3.33Å; P127-A129 VanDerWaalsContact C-N 3.34Å; P127-A129 PolarHBondContact O-N 3.12Å; A129-N131 VanDerWaalsContact C-N 3.33Å; A129-N131 PolarHBondContact O-N 3.29Å; A129-L132 PolarHBondContact O-N 3.11Å; A129-I133 WeakPolarHBondContact O-CG1 3.47Å; A129-I133 PolarHBondContact O-N 3.42Å; A129-I133 VanDerWaalsContact O-N 3.11Å; A129-W155 HydrophobicContact CB-CD2 4.08Å; A129-W155 HydrophobicContact CB-CG 4.26Å; A129-W155 HydrophobicContact CB-CZ2 4.14Å; A129-W155 VanDerWaalsContact CB-NE1 3.31Å
130K96.1Very high94.5Very high46 Ų4643.7 Ų43.720%0.225%0.246CC..Hα-helixtrans-61.1-42.3174.8-64.8177.9-178.1176.20110.8Y117 W122 V125 T126 P127 L132 I133 N134Y117-K130 HydrophobicContact CD1-CG 4.39Å; Y117-K130 HydrophobicContact CD2-CB 4.47Å; Y117-K130 HydrophobicContact CD2-CD 4.05Å; Y117-K130 HydrophobicContact CD2-CG 4.25Å; Y117-K130 HydrophobicContact CE1-CG 4.25Å; Y117-K130 HydrophobicContact CE2-CB 3.91Å; Y117-K130 HydrophobicContact CE2-CD 4.35Å; Y117-K130 HydrophobicContact CE2-CG 4.11Å; Y117-K130 HydrophobicContact CG-CD 4.23Å; Y117-K130 HydrophobicContact CG-CG 4.37Å; Y117-K130 PolarHBondContact OH-O 2.88Å; Y117-K130 VanDerWaalsContact OH-O 3.08Å; W122-K130 HydrophobicContact CE3-CD 4.44Å; W122-K130 HydrophobicContact CE3-CG 3.99Å; W122-K130 HydrophobicContact CZ3-CG 4.09Å; W122-K130 WeakPolarHBondContact O-CE 3.43Å; W122-K130 PolarHBondContact O-NZ 3.4Å; V125-K130 HydrophobicContact CG1-CG 4.35Å; T126-K130 PolarHBondContact O-N 3.43Å; P127-K130 PolarHBondContact O-N 2.79Å; K130-L132 PolarHBondContact O-N 3.2Å; K130-I133 PolarHBondContact O-N 2.99Å; K130-N134 VanDerWaalsContact O-CG 3.29Å; K130-N134 PolarHBondContact O-N 3.48Å; K130-N134 PolarHBondContact O-ND2 3.48Å
131N97.1Very high94.8Very high77 Ų7741.9 Ų41.941%0.41224%0.235SC..Hα-helixtrans-60.2-46.2177.3-174.1-101.1000112.3P127 E128 A129 I133 N134 L135 H153P127-N131 WeakPolarHBondContact O-CB 3.17Å; P127-N131 PolarHBondContact O-N 3.36Å; E128-N131 PolarHBondContact O-N 3.49Å; A129-N131 VanDerWaalsContact C-N 3.33Å; A129-N131 PolarHBondContact O-N 3.29Å; N131-I133 VanDerWaalsContact C-N 3.33Å; N131-I133 PolarHBondContact O-N 2.75Å; N131-N134 WeakPolarHBondContact O-CB 3.32Å; N131-N134 PolarHBondContact O-N 3.32Å; N131-L135 WeakPolarHBondContact O-CG 3.32Å; N131-L135 PolarHBondContact O-N 3.2Å; N131-L135 WeakPolarHBondContact OD1-CD1 3.45Å; N131-H153 PolarHBondContact OD1-NE2 3.28Å
132L97.3Very high95.2Very high0 Ų043.5 Ų43.50%026%0.259CS..Hα-helixtrans-61.9-41.6176.3-17658.9000112L88 E128 A129 K130 N134 L135 M136 I145 A150 H153 W155 I156L88-L132 HydrophobicContact CD2-CB 4.36Å; L88-L132 HydrophobicContact CD2-CD2 3.81Å; L88-L132 HydrophobicContact CD2-CG 4.02Å; E128-L132 PolarHBondContact O-N 2.92Å; A129-L132 PolarHBondContact O-N 3.11Å; K130-L132 PolarHBondContact O-N 3.2Å; L132-N134 VanDerWaalsContact C-N 3.33Å; L132-N134 PolarHBondContact O-N 2.98Å; L132-L135 PolarHBondContact O-N 3.37Å; L132-M136 HydrophobicContact CD1-CE 3.97Å; L132-M136 HydrophobicContact CD1-CG 4.41Å; L132-M136 HydrophobicContact CD2-CE 4.12Å; L132-M136 HydrophobicContact CG-CE 4.02Å; L132-M136 HydrophobicContact CG-SD 4.3Å; L132-M136 WeakPolarHBondContact O-CG 3.27Å; L132-M136 PolarHBondContact O-N 3.16Å; L132-I145 HydrophobicContact CD1-CD1 4.17Å; L132-A150 HydrophobicContact CD1-CB 4.23Å; L132-H153 HydrophobicContact CD1-CB 3.93Å; L132-W155 HydrophobicContact CD2-CD2 4.5Å; L132-W155 HydrophobicContact CD2-CE3 3.49Å; L132-W155 VanDerWaalsContact CD2-CE3 3.49Å; L132-W155 HydrophobicContact CD2-CZ3 4.11Å; L132-I156 HydrophobicContact CD2-CD1 4.04Å; L132-I156 HydrophobicContact CD2-CG1 3.82Å
133I98.2Very high95.5Very high0 Ų052.5 Ų52.50%029%0.293CS..Hα-helixtrans-59.3-46175.3-70.1171000110.4L88 Y89 L92 Y115 Y117 W122 A129 K130 N131 L135 M136 L137L88-I133 HydrophobicContact CB-CG1 4.39Å; L88-I133 HydrophobicContact CD2-CD1 4.47Å; L88-I133 HydrophobicContact CD2-CG1 3.65Å; L88-I133 HydrophobicContact CG-CD1 4.13Å; L88-I133 HydrophobicContact CG-CG1 3.74Å; Y89-I133 HydrophobicContact CD2-CD1 4.32Å; Y89-I133 HydrophobicContact CD2-CG2 4.26Å; L92-I133 HydrophobicContact CD1-CD1 3.81Å; Y115-I133 HydrophobicContact CE2-CG2 4.17Å; Y117-I133 HydrophobicContact CE1-CD1 4.4Å; Y117-I133 HydrophobicContact CE1-CG2 4.26Å; Y117-I133 WeakPolarHBondContact OH-CB 3.39Å; Y117-I133 WeakPolarHBondContact OH-CG2 3.39Å; W122-I133 HydrophobicContact CH2-CD1 3.48Å; W122-I133 VanDerWaalsContact CH2-CD1 3.48Å; W122-I133 HydrophobicContact CZ3-CD1 3.85Å; A129-I133 WeakPolarHBondContact O-CG1 3.47Å; A129-I133 PolarHBondContact O-N 3.42Å; A129-I133 VanDerWaalsContact O-N 3.11Å; K130-I133 PolarHBondContact O-N 2.99Å; N131-I133 VanDerWaalsContact C-N 3.33Å; N131-I133 PolarHBondContact O-N 2.75Å; I133-L135 VanDerWaalsContact C-N 3.3Å; I133-L135 PolarHBondContact O-N 2.93Å; I133-M136 PolarHBondContact O-N 3.04Å; I133-M136 VanDerWaalsContact O-N 3.16Å; I133-L137 HydrophobicContact CG2-CD1 3.64Å; I133-L137 HydrophobicContact CG2-CG 4.1Å; I133-L137 WeakPolarHBondContact O-CB 3.41Å; I133-L137 PolarHBondContact O-N 3.36Å
134N98.5Very high95.8Very high63 Ų6348.1 Ų48.134%0.33727%0.268SS..Hα-helixtrans-59.2-41177.6-68.9-26.7000112.8Y115 Y117 K130 N131 L132 T138Y115-N134 WeakPolarHBondContact OH-CA 3.44Å; Y115-N134 PolarHBondContact OH-OD1 3.2Å; Y117-N134 PolarHBondContact OH-OD1 3.46Å; K130-N134 VanDerWaalsContact O-CG 3.29Å; K130-N134 PolarHBondContact O-N 3.48Å; K130-N134 PolarHBondContact O-ND2 3.48Å; N131-N134 WeakPolarHBondContact O-CB 3.32Å; N131-N134 PolarHBondContact O-N 3.32Å; L132-N134 VanDerWaalsContact C-N 3.33Å; L132-N134 PolarHBondContact O-N 2.98Å; N134-T138 PolarHBondContact O-N 3.27Å; N134-T138 PolarHBondContact O-OG1 3.28Å
135L98.5Very high96.4Very high59 Ų5945.3 Ų45.331%0.30925%0.25SS..Hα-helixtrans-67.3-34.8177.6-70.5173.3000112.4N131 L132 I133 T138 I145N131-L135 WeakPolarHBondContact O-CG 3.32Å; N131-L135 PolarHBondContact O-N 3.2Å; N131-L135 WeakPolarHBondContact OD1-CD1 3.45Å; L132-L135 PolarHBondContact O-N 3.37Å; I133-L135 VanDerWaalsContact C-N 3.3Å; I133-L135 PolarHBondContact O-N 2.93Å; L135-T138 PolarHBondContact O-OG1 2.85Å; L135-I145 HydrophobicContact CB-CB 3.98Å; L135-I145 HydrophobicContact CB-CD1 4.25Å; L135-I145 HydrophobicContact CB-CG2 3.94Å; L135-I145 HydrophobicContact CD1-CD1 4.1Å; L135-I145 WeakPolarHBondContact O-CG2 3.43Å; L135-I145 PolarHBondContact O-N 3.26Å; L135-I145 VanDerWaalsContact O-N 3.14Å
136M98.7Very high96.8Very high1 Ų148.2 Ų48.21%0.00527%0.268CS..Hα-helixtrans-77.8-40.8175.7-69.8-177.3169.100113.2M1 I5 V81 C84 L88 L132 I133 T138 R144 I145 A150M1-M136 HydrophobicContact CE-CE 4.28Å; I5-M136 HydrophobicContact CD1-CE 3.65Å; I5-M136 HydrophobicContact CG1-CE 4.2Å; V81-M136 HydrophobicContact CG1-CB 4.22Å; V81-M136 HydrophobicContact CG1-CG 3.83Å; C84-M136 HydrophobicContact CB-CE 4.36Å; C84-M136 HydrophobicContact CB-SD 4.08Å; L88-M136 HydrophobicContact CD2-SD 4.32Å; L132-M136 HydrophobicContact CD1-CE 3.97Å; L132-M136 HydrophobicContact CD1-CG 4.41Å; L132-M136 HydrophobicContact CD2-CE 4.12Å; L132-M136 HydrophobicContact CG-CE 4.02Å; L132-M136 HydrophobicContact CG-SD 4.3Å; L132-M136 WeakPolarHBondContact O-CG 3.27Å; L132-M136 PolarHBondContact O-N 3.16Å; I133-M136 PolarHBondContact O-N 3.04Å; I133-M136 VanDerWaalsContact O-N 3.16Å; M136-T138 PolarHBondContact O-N 2.88Å; M136-R144 WeakPolarHBondContact O-CD 3.46Å; M136-R144 VanDerWaalsContact O-CG 3.26Å; M136-R144 WeakPolarHBondContact O-CG 3.22Å; M136-R144 PolarHBondContact O-NE 2.94Å; M136-I145 HydrophobicContact CG-CG2 3.82Å; M136-A150 HydrophobicContact CE-CB 3.81Å
137L98.7Very high97.2Very high4 Ų446.4 Ų46.42%0.02126%0.258CS..SBendtrans-88.227179.1-60.7-174.4000112.5W82 V86 P97 F98 Y115 I133 V139W82-L137 HydrophobicContact CD2-CD2 3.97Å; W82-L137 HydrophobicContact CE3-CD2 4.17Å; W82-L137 HydrophobicContact CG-CD2 4.43Å; W82-L137 HydrophobicContact CZ2-CD2 4.35Å; W82-L137 HydrophobicContact CZ3-CB 4.28Å; W82-L137 HydrophobicContact CZ3-CD2 4.46Å; W82-L137 VanDerWaalsContact CZ3-O 3.32Å; W82-L137 WeakPolarHBondContact CZ3-O 3.47Å; V86-L137 HydrophobicContact CG2-CD2 3.89Å; P97-L137 HydrophobicContact CB-CD1 4.32Å; P97-L137 HydrophobicContact CG-CD1 4.28Å; F98-L137 HydrophobicContact CE2-CD1 4.34Å; F98-L137 HydrophobicContact CE2-CD2 4.29Å; F98-L137 HydrophobicContact CZ-CD1 4.33Å; Y115-L137 HydrophobicContact CD1-CB 4.35Å; Y115-L137 HydrophobicContact CD1-CD1 3.97Å; Y115-L137 HydrophobicContact CD2-CD1 4.25Å; Y115-L137 HydrophobicContact CE1-CB 3.57Å; Y115-L137 HydrophobicContact CE1-CD1 3.85Å; Y115-L137 HydrophobicContact CE1-CG 4.38Å; Y115-L137 HydrophobicContact CE2-CD1 4.16Å; Y115-L137 HydrophobicContact CG-CD1 4.18Å; I133-L137 HydrophobicContact CG2-CD1 3.64Å; I133-L137 HydrophobicContact CG2-CG 4.1Å; I133-L137 WeakPolarHBondContact O-CB 3.41Å; I133-L137 PolarHBondContact O-N 3.36Å; L137-V139 PolarHBondContact O-N 3.3Å
138T98.7Very high97.4Very high31 Ų3143.7 Ų43.719%0.1924%0.243CC..  trans-72.3123.5171.9-69.10000110.2N134 L135 M136 S140 R143 R144N134-T138 PolarHBondContact O-N 3.27Å; N134-T138 PolarHBondContact O-OG1 3.28Å; L135-T138 PolarHBondContact O-OG1 2.85Å; M136-T138 PolarHBondContact O-N 2.88Å; T138-S140 VanDerWaalsContact C-N 3.32Å; T138-S140 PolarHBondContact O-N 3.37Å; T138-R143 HydrophobicContact CG2-CB 3.81Å; T138-R144 PolarHBondContact O-NE 2.92Å; T138-R144 PolarHBondContact O-NH2 3.38Å
139V98.4Very high97.7Very high42 Ų4244.3 Ų44.326%0.25525%0.246SC..SBendtrans-62.9-36.4-1731760000113.1P67 L137 P141P67-V139 HydrophobicContact CB-CG1 4.21Å; P67-V139 HydrophobicContact CG-CG1 4.28Å; L137-V139 PolarHBondContact O-N 3.3Å; V139-P141 WeakPolarHBondContact O-CD 3.41Å
140S97.4Very high97.9Very high38 Ų3844.3 Ų44.327%0.26625%0.246SC..SBendtrans-84.9116.8177175.50000109.4T138 A142 R143 R144T138-S140 VanDerWaalsContact C-N 3.32Å; T138-S140 PolarHBondContact O-N 3.37Å; S140-A142 PolarHBondContact O-N 3.04Å; S140-R143 PolarHBondContact O-N 3.18Å; S140-R144 PolarHBondContact O-N 3.49Å; S140-R144 VanDerWaalsContact O-N 3.13Å
141P97.6Very high97.9Very high43 Ų4343.9 Ų43.928%0.27925%0.246SC..G310 helixtrans-61.3-31.1-177.323.1-33.2000112.8E68 A78 V139 R143 R144E68-P141 HydrophobicContact CB-CG 4.38Å; E68-P141 HydrophobicContact CG-CG 4.31Å; A78-P141 HydrophobicContact CB-CB 3.81Å; V139-P141 WeakPolarHBondContact O-CD 3.41Å; P141-R143 VanDerWaalsContact C-N 3.27Å; P141-R143 PolarHBondContact O-N 3.4Å; P141-R144 WeakPolarHBondContact O-CB 3.19Å; P141-R144 PolarHBondContact O-N 2.76Å
142A96.4Very high97.7Very high97 Ų9747.9 Ų47.980%0.80226%0.259SS*.G310 helixtrans-69.4-21177.300000114.1S140S140-A142 PolarHBondContact O-N 3.04Å
143R97.7Very high97.6Very high188 Ų18848.7 Ų48.771%0.70926%0.263SS*.G310 helixtrans-102.5-5.9175.9-64.3-171.3-66.1174.50.8112.8T138 S140 P141T138-R143 HydrophobicContact CG2-CB 3.81Å; S140-R143 PolarHBondContact O-N 3.18Å; P141-R143 VanDerWaalsContact C-N 3.27Å; P141-R143 PolarHBondContact O-N 3.4Å
144R98.5Very high97.3Very high10 Ų1052.2 Ų52.24%0.03829%0.286CS..SBendtrans-73.8136.6-180-168.3-179.7-60.4144.57.8108.7E68 A78 V81 M136 T138 S140 P141E68-R144 IonicContact OE1-CZ 3.65Å; E68-R144 IonicContact OE1-NH1 3.58Å; E68-R144 PolarHBondContact OE1-NH1 3.32Å; E68-R144 IonicContact OE1-NH2 2.81Å; E68-R144 PolarHBondContact OE1-NH2 2.8Å; E68-R144 IonicContact OE2-CZ 3.46Å; E68-R144 IonicContact OE2-NH1 3.45Å; E68-R144 IonicContact OE2-NH2 3.52Å; E68-R144 PolarHBondContact OE2-NH2 3.32Å; A78-R144 VanDerWaalsContact C-NH1 3.3Å; A78-R144 WeakPolarHBondContact O-CD 3.42Å; A78-R144 PolarHBondContact O-NH1 3.42Å; V81-R144 HydrophobicContact CG1-CG 4.42Å; M136-R144 WeakPolarHBondContact O-CD 3.46Å; M136-R144 VanDerWaalsContact O-CG 3.26Å; M136-R144 WeakPolarHBondContact O-CG 3.22Å; M136-R144 PolarHBondContact O-NE 2.94Å; T138-R144 PolarHBondContact O-NE 2.92Å; T138-R144 PolarHBondContact O-NH2 3.38Å; S140-R144 PolarHBondContact O-N 3.49Å; S140-R144 VanDerWaalsContact O-N 3.13Å; P141-R144 WeakPolarHBondContact O-CB 3.19Å; P141-R144 PolarHBondContact O-N 2.76Å
145I98.6Very high96.9Very high18 Ų1850.9 Ų50.99%0.09228%0.276CS..PPolyproline II helixtrans-55.5143.3177.1-164.8171000110.6V81 L132 L135 M136 E149 A150V81-I145 HydrophobicContact CG1-CG2 3.93Å; V81-I145 VanDerWaalsContact CG1-O 3.28Å; V81-I145 WeakPolarHBondContact CG1-O 3.07Å; L132-I145 HydrophobicContact CD1-CD1 4.17Å; L135-I145 HydrophobicContact CB-CB 3.98Å; L135-I145 HydrophobicContact CB-CD1 4.25Å; L135-I145 HydrophobicContact CB-CG2 3.94Å; L135-I145 HydrophobicContact CD1-CD1 4.1Å; L135-I145 WeakPolarHBondContact O-CG2 3.43Å; L135-I145 PolarHBondContact O-N 3.26Å; L135-I145 VanDerWaalsContact O-N 3.14Å; M136-I145 HydrophobicContact CG-CG2 3.82Å; I145-E149 HydrophobicContact CD1-CB 3.97Å; I145-E149 HydrophobicContact CG1-CB 3.45Å; I145-E149 VanDerWaalsContact CG1-CB 3.45Å; I145-A150 HydrophobicContact CD1-CB 4Å; I145-A150 HydrophobicContact CG1-CB 4.32Å; I145-A150 HydrophobicContact CG2-CB 4.4Å
146T98.5Very high96.4Very high67 Ų6748.2 Ų48.241%0.41126%0.262SS..PPolyproline II helixtrans-81.6161.7172.263.30000111A148 E149 A150T146-A148 VanDerWaalsContact C-N 3.26Å; T146-A148 PolarHBondContact O-N 2.92Å; T146-E149 WeakPolarHBondContact CB-OE2 3.28Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.43Å; T146-E149 PolarHBondContact N-OE2 3.36Å; T146-E149 PolarHBondContact O-N 3.1Å; T146-E149 WeakPolarHBondContact OG1-CB 3.44Å; T146-E149 WeakPolarHBondContact OG1-CG 3.19Å; T146-E149 PolarHBondContact OG1-N 3.11Å; T146-E149 PolarHBondContact OG1-OE2 3.13Å; T146-A150 WeakPolarHBondContact O-CB 3.17Å; T146-A150 PolarHBondContact O-N 3.05Å
147A98Very high95.6Very high3 Ų351.7 Ų51.73%0.02529%0.286CS..Hα-helixtrans-59.7-38.3174.700000111.9I5 V8 N9 V81 A150 L151I5-A147 HydrophobicContact CG2-CB 4.16Å; I5-A147 WeakPolarHBondContact CG2-O 3.18Å; V8-A147 HydrophobicContact CG1-CB 4.13Å; N9-A147 HydrophobicContact CB-CB 3.76Å; V81-A147 HydrophobicContact CG2-CB 4.5Å; A147-A150 PolarHBondContact O-N 3.29Å; A147-L151 WeakPolarHBondContact O-CG 3.1Å; A147-L151 PolarHBondContact O-N 3.22Å; A147-L151 VanDerWaalsContact O-N 3.07Å
148A97.6Very high94.2Very high40 Ų4054.3 Ų54.333%0.33130%0.302SS..Hα-helixtrans-64.2-40177.100000113.1N9 T146N9-A148 PolarHBondContact OD1-N 3.13Å; T146-A148 VanDerWaalsContact C-N 3.26Å; T146-A148 PolarHBondContact O-N 2.92Å
149E97.8Very high92.1Very high103 Ų10356.5 Ų56.548%0.48131%0.312SS..Hα-helixtrans-72.1-39.1175-71161.4152.300111.6I145 T146 L151 K152 H153I145-E149 HydrophobicContact CD1-CB 3.97Å; I145-E149 HydrophobicContact CG1-CB 3.45Å; I145-E149 VanDerWaalsContact CG1-CB 3.45Å; T146-E149 WeakPolarHBondContact CB-OE2 3.28Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.43Å; T146-E149 PolarHBondContact N-OE2 3.36Å; T146-E149 PolarHBondContact O-N 3.1Å; T146-E149 WeakPolarHBondContact OG1-CB 3.44Å; T146-E149 WeakPolarHBondContact OG1-CG 3.19Å; T146-E149 PolarHBondContact OG1-N 3.11Å; T146-E149 PolarHBondContact OG1-OE2 3.13Å; E149-L151 VanDerWaalsContact C-N 3.27Å; E149-L151 PolarHBondContact O-N 2.9Å; E149-K152 CarbonylContact O-C 3.23Å; E149-K152 WeakPolarHBondContact O-CA 3.49Å; E149-K152 WeakPolarHBondContact O-CB 3.07Å; E149-K152 PolarHBondContact O-N 2.93Å; E149-H153 PolarHBondContact O-N 3.22Å
150A97.5Very high90Very high0 Ų061.3 Ų61.30%034%0.337CS..Hα-helixtrans-61.9-34.9177.500000112.3I5 L132 M136 I145 T146 A147 K152 H153 I156I5-A150 HydrophobicContact CD1-CB 4.17Å; I5-A150 HydrophobicContact CG2-CB 4.04Å; L132-A150 HydrophobicContact CD1-CB 4.23Å; M136-A150 HydrophobicContact CE-CB 3.81Å; I145-A150 HydrophobicContact CD1-CB 4Å; I145-A150 HydrophobicContact CG1-CB 4.32Å; I145-A150 HydrophobicContact CG2-CB 4.4Å; T146-A150 WeakPolarHBondContact O-CB 3.17Å; T146-A150 PolarHBondContact O-N 3.05Å; A147-A150 PolarHBondContact O-N 3.29Å; A150-K152 PolarHBondContact O-N 3.04Å; A150-H153 VanDerWaalsContact O-CB 3.25Å; A150-H153 WeakPolarHBondContact O-CB 3.3Å; A150-H153 PolarHBondContact O-N 3.15Å; A150-I156 WeakPolarHBondContact O-CG1 3.46Å
151L95.5Very high87.8Confident38 Ų3865.5 Ų65.520%0.19935%0.352CS..THydrogen-bonded Turntrans-63.7-24.6172.3-73.3172.2000113.6I5 E6 N9 A147 E149 C157I5-L151 HydrophobicContact CB-CD2 3.8Å; I5-L151 HydrophobicContact CB-CG 4.27Å; I5-L151 HydrophobicContact CG2-CD1 4.46Å; I5-L151 HydrophobicContact CG2-CD2 3.76Å; I5-L151 HydrophobicContact CG2-CG 3.65Å; E6-L151 HydrophobicContact CG-CD1 4.37Å; E6-L151 HydrophobicContact CG-CD2 3.65Å; N9-L151 HydrophobicContact CB-CD1 3.92Å; A147-L151 WeakPolarHBondContact O-CG 3.1Å; A147-L151 PolarHBondContact O-N 3.22Å; A147-L151 VanDerWaalsContact O-N 3.07Å; E149-L151 VanDerWaalsContact C-N 3.27Å; E149-L151 PolarHBondContact O-N 2.9Å; L151-C157 PolarHBondContact O-SG 3.46Å
152K94.7Very high85.8Confident161 Ų16165.9 Ų65.970%0.735%0.348SS*.THydrogen-bonded Turntrans-92.8-4.6177.9-62.8175.2-174.6175.60113.1E149 A150 C157E149-K152 CarbonylContact O-C 3.23Å; E149-K152 WeakPolarHBondContact O-CA 3.49Å; E149-K152 WeakPolarHBondContact O-CB 3.07Å; E149-K152 PolarHBondContact O-N 2.93Å; A150-K152 PolarHBondContact O-N 3.04Å; K152-C157 WeakPolarHBondContact CA-SG 3.18Å
153H94.5Very high83.7Confident16 Ų1669 Ų697%0.07435%0.346CS..SBendtrans-65.1138.2-176.2-173.1-86.9000110.5E128 N131 L132 E149 A150 W155 I156 C157E128-H153 PolarHBondContact O-CE1 3.27Å; E128-H153 VanDerWaalsContact O-CE1 3.26Å; N131-H153 PolarHBondContact OD1-NE2 3.28Å; L132-H153 HydrophobicContact CD1-CB 3.93Å; E149-H153 PolarHBondContact O-N 3.22Å; A150-H153 VanDerWaalsContact O-CB 3.25Å; A150-H153 WeakPolarHBondContact O-CB 3.3Å; A150-H153 PolarHBondContact O-N 3.15Å; H153-W155 VanDerWaalsContact C-N 3.26Å; H153-W155 VanDerWaalsContact ND1-CB 3.32Å; H153-W155 WeakPolarHBondContact ND1-CB 3.29Å; H153-W155 PolarHBondContact ND1-N 3.35Å; H153-W155 VanDerWaalsContact ND1-N 3.13Å; H153-W155 PolarHBondContact O-N 3.32Å; H153-W155 VanDerWaalsContact O-N 3.15Å; H153-I156 WeakPolarHBondContact O-CA 3.23Å; H153-I156 PolarHBondContact O-N 2.9Å; H153-C157 PolarHBondContact O-N 2.79Å
154P91.1Very high81.2Confident75 Ų7569 Ų6949%0.48735%0.346SS..Hα-helixtrans-50.6-45.7-177.3-29.835.3000112.8I156 C157 T158P154-I156 PolarHBondContact O-N 3.42Å; P154-I156 VanDerWaalsContact O-N 3.15Å; P154-C157 PolarHBondContact O-N 2.68Å; P154-T158 WeakPolarHBondContact O-CB 3.39Å; P154-T158 WeakPolarHBondContact O-CG2 3.28Å; P154-T158 PolarHBondContact O-N 3.09Å; P154-T158 PolarHBondContact O-OG1 3.35Å
155W90.3Very high78.8Confident35 Ų3572.3 Ų72.313%0.13337%0.367CS..Hα-helixtrans-51.4-42.3175.8-166.165.9000111.9M1 L88 L92 E128 A129 L132 H153 R162M1-W155 HydrophobicContact CB-CZ3 4.17Å; M1-W155 HydrophobicContact CG-CZ3 4.41Å; L88-W155 HydrophobicContact CD1-CE3 4.43Å; L88-W155 HydrophobicContact CD1-CH2 3.26Å; L88-W155 HydrophobicContact CD1-CZ2 4.27Å; L88-W155 HydrophobicContact CD1-CZ3 3.35Å; L88-W155 HydrophobicContact CD2-CE3 4.28Å; L88-W155 HydrophobicContact CD2-CZ3 3.85Å; L88-W155 HydrophobicContact CG-CH2 4.48Å; L88-W155 HydrophobicContact CG-CZ3 4.26Å; L92-W155 HydrophobicContact CD2-CH2 4.42Å; L92-W155 HydrophobicContact CD2-CZ2 4.03Å; E128-W155 HydrophobicContact CB-CB 3.88Å; E128-W155 HydrophobicContact CB-CG 4.29Å; A129-W155 HydrophobicContact CB-CD2 4.08Å; A129-W155 HydrophobicContact CB-CG 4.26Å; A129-W155 HydrophobicContact CB-CZ2 4.14Å; A129-W155 VanDerWaalsContact CB-NE1 3.31Å; L132-W155 HydrophobicContact CD2-CD2 4.5Å; L132-W155 HydrophobicContact CD2-CE3 3.49Å; L132-W155 VanDerWaalsContact CD2-CE3 3.49Å; L132-W155 HydrophobicContact CD2-CZ3 4.11Å; H153-W155 VanDerWaalsContact C-N 3.26Å; H153-W155 VanDerWaalsContact ND1-CB 3.32Å; H153-W155 WeakPolarHBondContact ND1-CB 3.29Å; H153-W155 PolarHBondContact ND1-N 3.35Å; H153-W155 VanDerWaalsContact ND1-N 3.13Å; H153-W155 PolarHBondContact O-N 3.32Å; H153-W155 VanDerWaalsContact O-N 3.15Å; W155-R162 PolarHBondContact O-NE 3.12Å; W155-R162 PolarHBondContact O-NH1 2.78Å; W155-R162 PolarHBondContact O-NH2 3.43Å
156I87.9Confident76.4Confident3 Ų375 Ų752%0.01539%0.391CS..Hα-helixtrans-77.1-48.9178.7-61.8-66.4000112.4M1 Q2 I5 L132 A150 H153 P154M1-I156 HydrophobicContact CB-CD1 4.24Å; M1-I156 HydrophobicContact CG-CD1 4.33Å; Q2-I156 HydrophobicContact CB-CG2 4.16Å; Q2-I156 HydrophobicContact CG-CG2 4.09Å; I5-I156 HydrophobicContact CD1-CD1 3.89Å; I5-I156 HydrophobicContact CD1-CG1 4.14Å; L132-I156 HydrophobicContact CD2-CD1 4.04Å; L132-I156 HydrophobicContact CD2-CG1 3.82Å; A150-I156 WeakPolarHBondContact O-CG1 3.46Å; H153-I156 WeakPolarHBondContact O-CA 3.23Å; H153-I156 PolarHBondContact O-N 2.9Å; P154-I156 PolarHBondContact O-N 3.42Å; P154-I156 VanDerWaalsContact O-N 3.15Å
157C81.7Confident74Confident73 Ų7376.1 Ų76.149%0.49340%0.402SS..Hα-helixtrans-72.9-30.8-171.7-70.20000115L151 K152 H153 P154 L159L151-C157 PolarHBondContact O-SG 3.46Å; K152-C157 WeakPolarHBondContact CA-SG 3.18Å; H153-C157 PolarHBondContact O-N 2.79Å; P154-C157 PolarHBondContact O-N 2.68Å; C157-L159 PolarHBondContact O-N 3.26Å
158T69.8Low71.7Confident59 Ų5982.5 Ų82.536%0.36244%0.435SS..  trans-80.652.7-175.561.60000111.5P154 D160 Q161 R162P154-T158 WeakPolarHBondContact O-CB 3.39Å; P154-T158 WeakPolarHBondContact O-CG2 3.28Å; P154-T158 PolarHBondContact O-N 3.09Å; P154-T158 PolarHBondContact O-OG1 3.35Å; T158-D160 PolarHBondContact O-N 2.67Å; T158-Q161 PolarHBondContact O-N 3.13Å; T158-R162 PolarHBondContact O-N 2.94Å
159L55.7Low69.9Low78 Ų7884 Ų8441%0.40844%0.44SS..Hα-helixtrans-54.3-36.1178.6-76.9163.2000112C157 Q161 R162 E163C157-L159 PolarHBondContact O-N 3.26Å; L159-Q161 PolarHBondContact O-N 3.48Å; L159-R162 PolarHBondContact O-N 2.9Å; L159-E163 PolarHBondContact O-N 2.86Å
160D52.9Low68.5Low143 Ų14385.8 Ų85.877%0.76545%0.448SS*.Hα-helixtrans-62.8-24.7177.9-71.3-15.4000114T158T158-D160 PolarHBondContact O-N 2.67Å
161Q50.7Low67.3Low126 Ų12689.2 Ų89.259%0.58946%0.461SS*.Hα-helixtrans-92-24.7173.6-72.4-173.9-13.800112.5T158 L159 R164 V165T158-Q161 PolarHBondContact O-N 3.13Å; L159-Q161 PolarHBondContact O-N 3.48Å; Q161-R164 WeakPolarHBondContact O-CB 3.45Å; Q161-R164 PolarHBondContact O-N 2.87Å; Q161-R164 VanDerWaalsContact O-N 3.16Å; Q161-V165 WeakPolarHBondContact O-CG2 3.37Å; Q161-V165 PolarHBondContact O-N 3.45Å
162R55.8Low66.4Low50 Ų5091.4 Ų91.419%0.18947%0.47CS..Hα-helixtrans-69.7-37.6-178.8-81.3177.4151.4178.42.1113.5W155 T158 L159 R164 V165 A166W155-R162 PolarHBondContact O-NE 3.12Å; W155-R162 PolarHBondContact O-NH1 2.78Å; W155-R162 PolarHBondContact O-NH2 3.43Å; T158-R162 PolarHBondContact O-N 2.94Å; L159-R162 PolarHBondContact O-N 2.9Å; R162-R164 PolarHBondContact O-N 2.76Å; R162-V165 PolarHBondContact O-N 2.9Å; R162-A166 WeakPolarHBondContact O-CA 3.42Å; R162-A166 WeakPolarHBondContact O-CB 3.46Å; R162-A166 PolarHBondContact O-N 3.29Å
163E52.7Low65.5Low162 Ų16289.5 Ų89.576%0.75746%0.464SS*.Hα-helixtrans-61.8-31.1172.8-70-168.5159.300111.3L159 S167L159-E163 PolarHBondContact O-N 2.86Å; E163-S167 VanDerWaalsContact O-CB 3.28Å; E163-S167 WeakPolarHBondContact O-CB 3.47Å; E163-S167 PolarHBondContact O-OG 2.93Å
164R46.5Very low64.7Low190 Ų19089.7 Ų89.772%0.71747%0.466SS*.Hα-helixtrans-76-36.2175.4-63.5-178.4-178.51781.5113.3Q161 R162 S167 L168Q161-R164 WeakPolarHBondContact O-CB 3.45Å; Q161-R164 PolarHBondContact O-N 2.87Å; Q161-R164 VanDerWaalsContact O-N 3.16Å; R162-R164 PolarHBondContact O-N 2.76Å; R164-S167 PolarHBondContact O-OG 3.39Å; R164-L168 WeakPolarHBondContact O-CD1 3.38Å; R164-L168 WeakPolarHBondContact O-CG 3.44Å
165V46.9Very low64.1Low79 Ų7988.8 Ų88.848%0.47946%0.459SS..Hα-helixtrans-93.4-35.7-175.2179.80000112.8T126 Q161 R162 S167 L168T126-V165 HydrophobicContact CG2-CG1 4.43Å; Q161-V165 WeakPolarHBondContact O-CG2 3.37Å; Q161-V165 PolarHBondContact O-N 3.45Å; R162-V165 PolarHBondContact O-N 2.9Å; V165-S167 VanDerWaalsContact C-N 3.34Å; V165-L168 PolarHBondContact O-N 2.77Å
166A49Very low63.4Low73 Ų7391.6 Ų91.660%0.60347%0.473SS*.Hα-helixtrans-74-23.9179.200000112.9R162R162-A166 WeakPolarHBondContact O-CA 3.42Å; R162-A166 WeakPolarHBondContact O-CB 3.46Å; R162-A166 PolarHBondContact O-N 3.29Å
167S48.2Very low62.8Low91 Ų9193.7 Ų93.764%0.63649%0.488SS*.THydrogen-bonded Turntrans-78.6-18.8174.959.70000113.7E163 R164 V165E163-S167 VanDerWaalsContact O-CB 3.28Å; E163-S167 WeakPolarHBondContact O-CB 3.47Å; E163-S167 PolarHBondContact O-OG 2.93Å; R164-S167 PolarHBondContact O-OG 3.39Å; V165-S167 VanDerWaalsContact C-N 3.34Å
168L49.8Very low62.6Low138 Ų13892.4 Ų92.472%0.72348%0.476SS*.THydrogen-bonded Turntrans-84.3-22.1-173.1-72.5170000114.2R164 V165R164-L168 WeakPolarHBondContact O-CD1 3.38Å; R164-L168 WeakPolarHBondContact O-CG 3.44Å; V165-L168 PolarHBondContact O-N 2.77Å
169V59.5Low62.9Low70 Ų7096.2 Ų96.242%0.42449%0.487SS..  trans-134.796-175.5-172.10000110.2R171V169-R171 HydrophobicContact CG1-CG 4.26Å; V169-R171 PolarHBondContact O-N 3.19Å
170H67.1Low63.8Low141 Ų141100 Ų10065%0.65350%0.501SS*.  trans-69.2107.5168-17866.8000109.5Q172H170-Q172 PolarHBondContact NE2-OE1 3.32Å; H170-Q172 PolarHBondContact O-N 3.25Å; H170-Q172 VanDerWaalsContact O-N 3.1Å
171R73.3Confident64.8Low73 Ų7394.9 Ų94.928%0.27547%0.472SS..  trans-84.277.9179.6-66.7-173175.6791.5111T124 V169 E173 T174 V175T124-R171 PolarHBondContact O-NH2 2.79Å; T124-R171 PolarHBondContact OG1-NE 3.1Å; T124-R171 VanDerWaalsContact OG1-NE 3.15Å; T124-R171 PolarHBondContact OG1-NH2 3.46Å; V169-R171 HydrophobicContact CG1-CG 4.26Å; V169-R171 PolarHBondContact O-N 3.19Å; R171-E173 VanDerWaalsContact C-N 3.32Å; R171-E173 PolarHBondContact O-N 3.46Å; R171-T174 WeakPolarHBondContact CB-OG1 3.39Å; R171-T174 WeakPolarHBondContact O-CB 3.24Å; R171-T174 PolarHBondContact O-N 3.22Å; R171-V175 PolarHBondContact O-N 2.93Å
172Q76.5Confident65.8Low83 Ų8391.1 Ų91.139%0.38846%0.456SS..Hα-helixtrans-59.2-41.3-178.9-177.159.529.900112.4H170 T174 V175 E176H170-Q172 PolarHBondContact NE2-OE1 3.32Å; H170-Q172 PolarHBondContact O-N 3.25Å; H170-Q172 VanDerWaalsContact O-N 3.1Å; Q172-T174 VanDerWaalsContact C-N 3.33Å; Q172-T174 PolarHBondContact O-N 3.31Å; Q172-V175 WeakPolarHBondContact O-CB 3.31Å; Q172-V175 PolarHBondContact O-N 3.48Å; Q172-V175 VanDerWaalsContact O-N 3.07Å; Q172-E176 PolarHBondContact NE2-OE1 3.44Å; Q172-E176 VanDerWaalsContact NE2-OE1 3.07Å; Q172-E176 PolarHBondContact O-N 2.88Å; Q172-E176 VanDerWaalsContact O-N 3.08Å
173E75.4Confident66.2Low122 Ų12291.7 Ų91.757%0.5747%0.471SS*.Hα-helixtrans-59.3-41177.4-66.3175.3175.500112.2R171 V175 E176 C177R171-E173 VanDerWaalsContact C-N 3.32Å; R171-E173 PolarHBondContact O-N 3.46Å; E173-V175 VanDerWaalsContact C-N 3.33Å; E173-V175 PolarHBondContact O-N 2.86Å; E173-E176 PolarHBondContact O-N 3.06Å; E173-C177 WeakPolarHBondContact O-CB 3.2Å; E173-C177 PolarHBondContact O-N 2.65Å; E173-C177 PolarHBondContact O-SG 3.37Å
174T78.2Confident66.9Low20 Ų2089.1 Ų89.112%0.12346%0.455CS..Hα-helixtrans-58.3-44.5173.5-61.50000111.2L92 R171 Q172 E176 C177 L178L92-T174 WeakPolarHBondContact O-CG2 3.45Å; L92-T174 PolarHBondContact O-OG1 3.5Å; R171-T174 WeakPolarHBondContact CB-OG1 3.39Å; R171-T174 WeakPolarHBondContact O-CB 3.24Å; R171-T174 PolarHBondContact O-N 3.22Å; Q172-T174 VanDerWaalsContact C-N 3.33Å; Q172-T174 PolarHBondContact O-N 3.31Å; T174-E176 VanDerWaalsContact C-N 3.33Å; T174-E176 PolarHBondContact O-N 3.23Å; T174-C177 PolarHBondContact O-N 3.34Å; T174-L178 VanDerWaalsContact O-CB 3.24Å; T174-L178 WeakPolarHBondContact O-CB 3.27Å; T174-L178 PolarHBondContact O-N 3Å
175V78Confident68.3Low56 Ų5681.8 Ų81.834%0.33943%0.427SS..Hα-helixtrans-64-40.5-179.7176.10000111R171 Q172 E173 L178 K179R171-V175 PolarHBondContact O-N 2.93Å; Q172-V175 WeakPolarHBondContact O-CB 3.31Å; Q172-V175 PolarHBondContact O-N 3.48Å; Q172-V175 VanDerWaalsContact O-N 3.07Å; E173-V175 VanDerWaalsContact C-N 3.33Å; E173-V175 PolarHBondContact O-N 2.86Å; V175-L178 PolarHBondContact O-N 2.8Å; V175-K179 WeakPolarHBondContact O-CG 3.47Å; V175-K179 PolarHBondContact O-N 3.37Å
176E76.5Confident69.1Low93 Ų9384.9 Ų84.944%0.43543%0.434SS..Hα-helixtrans-68.7-44.5178.4-70.3177-169.300112.3Q172 E173 T174 L178 K179 K180Q172-E176 PolarHBondContact NE2-OE1 3.44Å; Q172-E176 VanDerWaalsContact NE2-OE1 3.07Å; Q172-E176 PolarHBondContact O-N 2.88Å; Q172-E176 VanDerWaalsContact O-N 3.08Å; E173-E176 PolarHBondContact O-N 3.06Å; T174-E176 VanDerWaalsContact C-N 3.33Å; T174-E176 PolarHBondContact O-N 3.23Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 2.78Å; E176-K179 WeakPolarHBondContact O-CB 3.48Å; E176-K179 PolarHBondContact O-N 3.01Å; E176-K180 PolarHBondContact O-N 3.08Å; E176-K180 VanDerWaalsContact O-N 3.1Å
177C74.7Confident69.4Low47 Ų4784.9 Ų84.932%0.31842%0.424SS..Hα-helixtrans-59.8-44173.6-68.90000111.1G94 E173 T174 K179 K180 F181G94-C177 CarbonylContact O-C 3.6Å; E173-C177 WeakPolarHBondContact O-CB 3.2Å; E173-C177 PolarHBondContact O-N 2.65Å; E173-C177 PolarHBondContact O-SG 3.37Å; T174-C177 PolarHBondContact O-N 3.34Å; C177-K179 VanDerWaalsContact C-N 3.34Å; C177-K179 PolarHBondContact O-N 2.87Å; C177-K180 PolarHBondContact O-N 3.44Å; C177-F181 WeakPolarHBondContact O-CB 3.36Å; C177-F181 PolarHBondContact O-N 2.77Å
178L77.6Confident69.9Low47 Ų4785.6 Ų85.625%0.24642%0.415CS..Hα-helixtrans-64.5-35.6178.5-169.865.3000112.5I90 T174 V175 E176 F181 N182I90-L178 HydrophobicContact CG2-CD1 3.74Å; T174-L178 VanDerWaalsContact O-CB 3.24Å; T174-L178 WeakPolarHBondContact O-CB 3.27Å; T174-L178 PolarHBondContact O-N 3Å; V175-L178 PolarHBondContact O-N 2.8Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 2.78Å; L178-F181 HydrophobicContact CD1-CD1 4.31Å; L178-N182 VanDerWaalsContact O-CB 3.28Å; L178-N182 WeakPolarHBondContact O-CB 3.41Å; L178-N182 VanDerWaalsContact O-CG 3.3Å; L178-N182 PolarHBondContact O-N 2.94Å; L178-N182 PolarHBondContact O-ND2 3.24Å
179K75.4Confident69.9Low138 Ų13880.2 Ų80.260%0.639%0.393SS*.Hα-helixtrans-62.4-48.8172.5-77.1175.1-178.5176.80111.2V175 E176 C177 N182 A183V175-K179 WeakPolarHBondContact O-CG 3.47Å; V175-K179 PolarHBondContact O-N 3.37Å; E176-K179 WeakPolarHBondContact O-CB 3.48Å; E176-K179 PolarHBondContact O-N 3.01Å; C177-K179 VanDerWaalsContact C-N 3.34Å; C177-K179 PolarHBondContact O-N 2.87Å; K179-N182 PolarHBondContact O-N 3.15Å; K179-A183 PolarHBondContact O-N 3.45Å
180K74.7Confident69.3Low158 Ų15879.3 Ų79.369%0.68739%0.393SS*.Hα-helixtrans-60.9-45.5176.9-70.2177.4-178.8173.30111.4E176 C177 A183 R184E176-K180 PolarHBondContact O-N 3.08Å; E176-K180 VanDerWaalsContact O-N 3.1Å; C177-K180 PolarHBondContact O-N 3.44Å; K180-A183 PolarHBondContact O-N 3.31Å; K180-R184 PolarHBondContact O-N 3.15Å
181F74.9Confident68.5Low35 Ų3573.2 Ų73.215%0.15437%0.365CS..Hα-helixtrans-59.4-48.7176.7175.8-101.3000112P23 I90 G94 P96 C177 L178 A183 R184 R185P23-F181 HydrophobicContact CG-CE1 4.48Å; I90-F181 HydrophobicContact CD1-CE1 4.14Å; I90-F181 HydrophobicContact CD1-CZ 3.8Å; I90-F181 HydrophobicContact CG2-CD1 4.06Å; I90-F181 HydrophobicContact CG2-CE1 3.91Å; I90-F181 HydrophobicContact CG2-CZ 4.49Å; G94-F181 VanDerWaalsContact O-CB 3.31Å; G94-F181 WeakPolarHBondContact O-CB 3.28Å; P96-F181 HydrophobicContact CB-CE2 4.31Å; P96-F181 HydrophobicContact CG-CD2 4.48Å; P96-F181 HydrophobicContact CG-CE2 3.98Å; C177-F181 WeakPolarHBondContact O-CB 3.36Å; C177-F181 PolarHBondContact O-N 2.77Å; L178-F181 HydrophobicContact CD1-CD1 4.31Å; F181-A183 PolarHBondContact O-N 3.23Å; F181-R184 PolarHBondContact O-N 3.12Å; F181-R185 VanDerWaalsContact O-CB 3.22Å; F181-R185 WeakPolarHBondContact O-CB 3.27Å; F181-R185 PolarHBondContact O-N 2.98Å
182N71.2Confident67.3Low47 Ų4774.2 Ų74.225%0.25138%0.375SS..Hα-helixtrans-62.7-40.3178.5-80.7-35000112.6L178 K179 R185 K186L178-N182 VanDerWaalsContact O-CB 3.28Å; L178-N182 WeakPolarHBondContact O-CB 3.41Å; L178-N182 VanDerWaalsContact O-CG 3.3Å; L178-N182 PolarHBondContact O-N 2.94Å; L178-N182 PolarHBondContact O-ND2 3.24Å; K179-N182 PolarHBondContact O-N 3.15Å; N182-R185 PolarHBondContact OD1-NH2 3.31Å; N182-K186 WeakPolarHBondContact O-CB 3.37Å; N182-K186 VanDerWaalsContact O-CG 3.29Å; N182-K186 WeakPolarHBondContact O-CG 3.32Å; N182-K186 PolarHBondContact O-N 2.8Å
183A63.5Low65.9Low63 Ų6374.7 Ų74.752%0.52138%0.384SS..Hα-helixtrans-62-5017600000111.3K179 K180 F181 R185 K186 L187K179-A183 PolarHBondContact O-N 3.45Å; K180-A183 PolarHBondContact O-N 3.31Å; F181-A183 PolarHBondContact O-N 3.23Å; A183-R185 VanDerWaalsContact C-N 3.35Å; A183-R185 PolarHBondContact O-N 2.99Å; A183-K186 PolarHBondContact O-N 3.15Å; A183-L187 WeakPolarHBondContact O-CB 3.44Å; A183-L187 PolarHBondContact O-N 3.47Å; A183-L187 VanDerWaalsContact O-N 3.1Å
184R69Low64.3Low108 Ų10870.8 Ų70.841%0.40837%0.369SS..Hα-helixtrans-59.4-44.4177.6-171.6-179-169.5179.97.7112.1W99 K180 F181 K188W99-R184 VanDerWaalsContact CZ2-CZ 3.41Å; K180-R184 PolarHBondContact O-N 3.15Å; F181-R184 PolarHBondContact O-N 3.12Å; R184-K188 PolarHBondContact O-N 3.26Å; R184-K188 VanDerWaalsContact O-N 3.1Å
185R74.2Confident62.6Low36 Ų3672.8 Ų72.814%0.13638%0.377CS..Hα-helixtrans-66.7-48.5-179.4-176.8-176.756.170.1-9.8112E24 F181 N182 A183 L187 K188 G189E24-R185 WeakPolarHBondContact OE1-CD 3.3Å; E24-R185 VanDerWaalsContact OE1-CG 3.27Å; E24-R185 WeakPolarHBondContact OE1-CG 3.37Å; E24-R185 IonicContact OE1-CZ 3.83Å; E24-R185 IonicContact OE1-NE 3.91Å; E24-R185 IonicContact OE1-NH1 3.81Å; E24-R185 PolarHBondContact OE1-NH1 3.42Å; E24-R185 IonicContact OE2-CZ 3.38Å; E24-R185 IonicContact OE2-NH1 2.76Å; E24-R185 PolarHBondContact OE2-NH1 3.21Å; F181-R185 VanDerWaalsContact O-CB 3.22Å; F181-R185 WeakPolarHBondContact O-CB 3.27Å; F181-R185 PolarHBondContact O-N 2.98Å; N182-R185 PolarHBondContact OD1-NH2 3.31Å; A183-R185 VanDerWaalsContact C-N 3.35Å; A183-R185 PolarHBondContact O-N 2.99Å; R185-L187 VanDerWaalsContact C-N 3.28Å; R185-L187 PolarHBondContact O-N 3.39Å; R185-K188 PolarHBondContact O-N 2.94Å; R185-G189 PolarHBondContact O-N 3.46Å
186K64.6Low60.9Low144 Ų14474.5 Ų74.563%0.62638%0.384SS*.Hα-helixtrans-58.2-41.3177.1-78-178.6177.5-175.20111.8N182 A183 A190N182-K186 WeakPolarHBondContact O-CB 3.37Å; N182-K186 VanDerWaalsContact O-CG 3.29Å; N182-K186 WeakPolarHBondContact O-CG 3.32Å; N182-K186 PolarHBondContact O-N 2.8Å; A183-K186 PolarHBondContact O-N 3.15Å; K186-A190 WeakPolarHBondContact O-CB 3.46Å; K186-A190 PolarHBondContact O-N 3.42Å
187L54.4Low59Low73 Ų7372 Ų7238%0.38238%0.38SS..Hα-helixtrans-63.1-50.3176.8-17961.3000111.7A183 R185 G189 A190 I191A183-L187 WeakPolarHBondContact O-CB 3.44Å; A183-L187 PolarHBondContact O-N 3.47Å; A183-L187 VanDerWaalsContact O-N 3.1Å; R185-L187 VanDerWaalsContact C-N 3.28Å; R185-L187 PolarHBondContact O-N 3.39Å; L187-G189 PolarHBondContact O-N 2.91Å; L187-A190 PolarHBondContact O-N 2.99Å; L187-I191 HydrophobicContact CD1-CD1 4.43Å; L187-I191 HydrophobicContact CG-CD1 4.39Å; L187-I191 WeakPolarHBondContact O-CG1 3.35Å; L187-I191 PolarHBondContact O-N 3.12Å
188K58.8Low57.6Low105 Ų10570.2 Ų70.246%0.45737%0.367SS..Hα-helixtrans-60.4-43.3176.9-78.1-170.9173.2-165.10112.4R184 R185 I191 L192R184-K188 PolarHBondContact O-N 3.26Å; R184-K188 VanDerWaalsContact O-N 3.1Å; R185-K188 PolarHBondContact O-N 2.94Å; K188-I191 PolarHBondContact O-N 3.4Å; K188-L192 PolarHBondContact O-N 3.21Å; K188-L192 VanDerWaalsContact O-N 3.15Å
189G50.9Low55.9Low26 Ų2674.2 Ų74.227%0.26838%0.379SS..Hα-helixtrans-64.2-42.417900000112.9R185 L187 I191 L192 T193R185-G189 PolarHBondContact O-N 3.46Å; L187-G189 PolarHBondContact O-N 2.91Å; G189-I191 VanDerWaalsContact C-N 3.34Å; G189-I191 PolarHBondContact O-N 3.08Å; G189-L192 PolarHBondContact O-N 3.05Å; G189-T193 PolarHBondContact O-N 3.44Å; G189-T193 PolarHBondContact O-OG1 3.27Å; G189-T193 VanDerWaalsContact O-OG1 3.11Å
190A47.3Very low54.3Low50 Ų5073.1 Ų73.141%0.41338%0.38SS..Hα-helixtrans-58.8-44.9175.900000111.6K186 L187 T193 T194K186-A190 WeakPolarHBondContact O-CB 3.46Å; K186-A190 PolarHBondContact O-N 3.42Å; L187-A190 PolarHBondContact O-N 2.99Å; A190-T193 PolarHBondContact O-N 2.87Å; A190-T194 PolarHBondContact O-N 3.41Å; A190-T194 PolarHBondContact O-OG1 3.36Å
191I48.9Very low52.6Low13 Ų1373.7 Ų73.77%0.06738%0.383CS..Hα-helixtrans-60.5-48.2178.1-63.4165.8000111L187 K188 G189 T193 T194 M195 R255 E258 Q259L187-I191 HydrophobicContact CD1-CD1 4.43Å; L187-I191 HydrophobicContact CG-CD1 4.39Å; L187-I191 WeakPolarHBondContact O-CG1 3.35Å; L187-I191 PolarHBondContact O-N 3.12Å; K188-I191 PolarHBondContact O-N 3.4Å; G189-I191 VanDerWaalsContact C-N 3.34Å; G189-I191 PolarHBondContact O-N 3.08Å; I191-T193 PolarHBondContact O-N 2.83Å; I191-T194 PolarHBondContact O-N 3.07Å; I191-M195 HydrophobicContact CG2-CE 4.12Å; I191-M195 WeakPolarHBondContact O-CG 3.11Å; I191-M195 PolarHBondContact O-N 3.2Å; I191-R255 HydrophobicContact CD1-CB 4.28Å; I191-R255 HydrophobicContact CD1-CG 3.86Å; I191-E258 HydrophobicContact CG2-CB 4.17Å; I191-E258 WeakPolarHBondContact CG2-OE2 3.31Å; I191-Q259 HydrophobicContact CG1-CG 4.14Å
192L48.6Very low51.2Low94 Ų9472.9 Ų72.949%0.49238%0.381SS..Hα-helixtrans-60.4-42.9176.6-82.2154.3000112.8K188 G189 T194 M195 L196K188-L192 PolarHBondContact O-N 3.21Å; K188-L192 VanDerWaalsContact O-N 3.15Å; G189-L192 PolarHBondContact O-N 3.05Å; L192-T194 VanDerWaalsContact C-N 3.35Å; L192-T194 PolarHBondContact O-N 2.78Å; L192-M195 HydrophobicContact CB-CE 4.35Å; L192-M195 HydrophobicContact CD2-CE 3.64Å; L192-M195 HydrophobicContact CG-CE 3.87Å; L192-M195 CarbonylContact O-C 3.59Å; L192-M195 WeakPolarHBondContact O-CB 2.78Å; L192-M195 PolarHBondContact O-N 3.35Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.01Å
193T48.1Very low49.7Very low93 Ų9377.8 Ų77.857%0.57140%0.404SS*.Hα-helixtrans-63-41.6176.5-61.80000111.2G189 A190 I191 M195 L196 A197G189-T193 PolarHBondContact O-N 3.44Å; G189-T193 PolarHBondContact O-OG1 3.27Å; G189-T193 VanDerWaalsContact O-OG1 3.11Å; A190-T193 PolarHBondContact O-N 2.87Å; I191-T193 PolarHBondContact O-N 2.83Å; T193-M195 VanDerWaalsContact C-N 3.31Å; T193-M195 PolarHBondContact O-N 3.1Å; T193-L196 PolarHBondContact O-N 3.4Å; T193-L196 VanDerWaalsContact O-N 3.15Å; T193-A197 VanDerWaalsContact O-CB 3.31Å; T193-A197 WeakPolarHBondContact O-CB 3.35Å; T193-A197 PolarHBondContact O-N 3.18Å
194T42Very low48.3Very low41 Ų4183.7 Ų83.725%0.25242%0.418SS..Hα-helixtrans-66.7-35.4176.2-32.80000111.3A190 I191 L192 L196 T198 A262A190-T194 PolarHBondContact O-N 3.41Å; A190-T194 PolarHBondContact O-OG1 3.36Å; I191-T194 PolarHBondContact O-N 3.07Å; L192-T194 VanDerWaalsContact C-N 3.35Å; L192-T194 PolarHBondContact O-N 2.78Å; T194-L196 VanDerWaalsContact C-N 3.33Å; T194-L196 PolarHBondContact O-N 3.39Å; T194-T198 WeakPolarHBondContact O-CG2 3.3Å; T194-T198 PolarHBondContact O-N 2.9Å; T194-T198 PolarHBondContact O-OG1 2.8Å; T194-A262 VanDerWaalsContact CB-CB 3.46Å; T194-A262 HydrophobicContact CG2-CB 3.15Å
195M41Very low46.7Very low62 Ų6285.9 Ų85.931%0.30543%0.431SS..Hα-helixtrans-65.8-28.7171.2-68.9-171-63.400113.8I191 L192 T193 T198I191-M195 HydrophobicContact CG2-CE 4.12Å; I191-M195 WeakPolarHBondContact O-CG 3.11Å; I191-M195 PolarHBondContact O-N 3.2Å; L192-M195 HydrophobicContact CB-CE 4.35Å; L192-M195 HydrophobicContact CD2-CE 3.64Å; L192-M195 HydrophobicContact CG-CE 3.87Å; L192-M195 CarbonylContact O-C 3.59Å; L192-M195 WeakPolarHBondContact O-CB 2.78Å; L192-M195 PolarHBondContact O-N 3.35Å; T193-M195 VanDerWaalsContact C-N 3.31Å; T193-M195 PolarHBondContact O-N 3.1Å; M195-T198 VanDerWaalsContact C-OG1 3.29Å; M195-T198 PolarHBondContact O-OG1 3.01Å
196L42.9Very low45.1Very low92 Ų9291.1 Ų91.148%0.48246%0.461SS..Hα-helixtrans-91.3-35179.8-72.4173.2000113.7L192 T193 T194 T198 R199 N200L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.01Å; T193-L196 PolarHBondContact O-N 3.4Å; T193-L196 VanDerWaalsContact O-N 3.15Å; T194-L196 VanDerWaalsContact C-N 3.33Å; T194-L196 PolarHBondContact O-N 3.39Å; L196-T198 PolarHBondContact O-N 3.26Å; L196-R199 CarbonylContact O-C 3.37Å; L196-R199 WeakPolarHBondContact O-CA 3.43Å; L196-R199 VanDerWaalsContact O-CB 3.27Å; L196-R199 WeakPolarHBondContact O-CB 3.37Å; L196-R199 PolarHBondContact O-N 3.29Å; L196-N200 PolarHBondContact O-N 3.01Å
197A37.1Very low43.7Very low41 Ų4192.2 Ų92.234%0.33947%0.474SS..Hα-helixtrans-60.1-39.6176.500000110.5T193 R199 N200 F201T193-A197 VanDerWaalsContact O-CB 3.31Å; T193-A197 WeakPolarHBondContact O-CB 3.35Å; T193-A197 PolarHBondContact O-N 3.18Å; A197-R199 PolarHBondContact O-N 3.09Å; A197-N200 PolarHBondContact O-N 2.94Å; A197-F201 WeakPolarHBondContact O-CD2 3.22Å
198T44.3Very low43.1Very low9 Ų993.9 Ų93.96%0.05549%0.492CS..Hα-helixtrans-62.4-25.3173.951.80000112.4T194 M195 L196 A265 A313 I314T194-T198 WeakPolarHBondContact O-CG2 3.3Å; T194-T198 PolarHBondContact O-N 2.9Å; T194-T198 PolarHBondContact O-OG1 2.8Å; M195-T198 VanDerWaalsContact C-OG1 3.29Å; M195-T198 PolarHBondContact O-OG1 3.01Å; L196-T198 PolarHBondContact O-N 3.26Å; T198-A265 HydrophobicContact CG2-CB 3.31Å; T198-A313 WeakPolarHBondContact O-CB 3.36Å; T198-I314 CarbonylContact C-O 3.48Å; T198-I314 VanDerWaalsContact C-O 3.23Å; T198-I314 WeakPolarHBondContact CB-O 3.39Å; T198-I314 CarbonylContact O-C 3.59Å; T198-I314 PolarHBondContact O-N 2.85Å
199R43Very low42Very low130 Ų13094.9 Ų94.949%0.49151%0.512SS..Hα-helixtrans-85.7-32.7176.1-161.1-170.9178.4123.2-3.1114.7L196 A197 A313 H315L196-R199 CarbonylContact O-C 3.37Å; L196-R199 WeakPolarHBondContact O-CA 3.43Å; L196-R199 VanDerWaalsContact O-CB 3.27Å; L196-R199 WeakPolarHBondContact O-CB 3.37Å; L196-R199 PolarHBondContact O-N 3.29Å; A197-R199 PolarHBondContact O-N 3.09Å; R199-A313 WeakPolarHBondContact O-CB 3.5Å; R199-H315 PolarHBondContact NH1-CD2 2.84Å; R199-H315 VanDerWaalsContact NH1-CD2 3.26Å; R199-H315 PolarHBondContact NH1-NE2 2.83Å
200N40.1Very low41.2Very low116 Ų11697.2 Ų97.262%0.6254%0.536SS*.Hα-helixtrans-85.7-18-172.2-85.4-15.1000115.1L196 A197 S202 M203L196-N200 PolarHBondContact O-N 3.01Å; A197-N200 PolarHBondContact O-N 2.94Å; N200-S202 PolarHBondContact O-N 2.74Å; N200-S202 VanDerWaalsContact O-N 3.12Å; N200-M203 PolarHBondContact O-N 3.4Å
201F40.2Very low40.5Very low170 Ų170107.1 Ų107.175%0.74656%0.563SS**THydrogen-bonded Turntrans-63.3-14.8176.2-88.5-85.7000112.8A197 R312A197-F201 WeakPolarHBondContact O-CD2 3.22Å; F201-R312 CarbonylContact C-O 3.57Å; F201-R312 WeakPolarHBondContact CA-O 3.28Å; F201-R312 WeakPolarHBondContact CB-O 3.44Å; F201-R312 CarbonylContact O-C 3.6Å; F201-R312 WeakPolarHBondContact O-CB 3.49Å
202S44.5Very low39.8Very low17 Ų17109.8 Ų109.812%0.11959%0.593CS.*THydrogen-bonded Turntrans-82.3-27.417754.40000117.8N200 K204 R312 A313N200-S202 PolarHBondContact O-N 2.74Å; N200-S202 VanDerWaalsContact O-N 3.12Å; S202-K204 PolarHBondContact O-N 2.87Å; S202-R312 PolarHBondContact N-O 3.46Å; S202-A313 WeakPolarHBondContact OG-CB 3.2Å
203M39.4Very low39.1Very low151 Ų151111.7 Ų111.774%0.74461%0.609SS**SBendtrans-10022.8-160.2-61.7-147.389.600114.5N200N200-M203 PolarHBondContact O-N 3.4Å
204K35Very low38.7Very low186 Ų186113.6 Ų113.681%0.80962%0.62SS**  trans-12885.5174.2-76.4-172.2176.9178.50113.7S202S202-K204 PolarHBondContact O-N 2.87Å
205K35.5Very low38.5Very low154 Ų154117.4 Ų117.467%0.6765%0.646SS**  trans176.9101.9144.6-106.1177.4-176.4-179.80107.4R312K205-R312 PolarHBondContact O-NH1 3.15Å
206D40.9Very low38.2Very low146 Ų146118 Ų11878%0.78167%0.668SS**  163.688.6128.6-73.4-17000109.9
207D35.3Very low37.7Very low167 Ų167119.5 Ų119.589%0.89369%0.686SS**  trans-97.7105.7153-108.8-21000106.2
208S40.8Very low37.5Very low108 Ų108125.7 Ų125.776%0.75571%0.707SS**  trans169.5118.6142.5400000112.6
209S36.1Very low36.9Very low127 Ų127132.1 Ų132.189%0.88875%0.747SS**  trans73.7125.7148.4710000120.4
210G34.4Very low36.2Very low75 Ų75131 Ų13177%0.77376%0.759SS**  trans127.667.7140.700000119.6
211R32.5Very low35.9Very low258 Ų258131.2 Ų131.297%0.97476%0.764SS**  39.2113.9127.1-159.5175.8-166.1169.52.9119.2
212G33.9Very low35.5Very low68 Ų68129.3 Ų129.370%0.70177%0.767SS**  trans169.379.7158.800000118.4
213T33.8Very low34.7Very low134 Ų134138.5 Ų138.582%0.82280%0.804SS**  trans50.6100136.3-26.50000123.1
214V40.1Very low34.3Very low134 Ų134141.3 Ų141.381%0.81281%0.812SS**  trans13.6166.2130.7-118.50000123.3
215P38.3Very low33.9Very low121 Ų121137.8 Ų137.879%0.78681%0.812SS**  -134.1-169.8-105.446.8-27000114.5
216G33.3Very low33.8Very low74 Ų74138.4 Ų138.476%0.76382%0.822SS**  trans148.6118.7148.800000116.7
217S33.7Very low33.3Very low123 Ų123139 Ų13986%0.8683%0.825SS**  169.6137.4114-171.70000111.8
218H33Very low32.9Very low171 Ų171134.2 Ų134.279%0.79282%0.815SS**  trans-71.2155.8-179.6-63.8-101000113
219T31.8Very low32.6Very low145 Ų145137.6 Ų137.689%0.8982%0.823SS**  -170.7121.3118.334.80000111.7
220S27.7Very low32.3Very low105 Ų105140.4 Ų140.473%0.73482%0.819SS**  trans-63.7160.4160.249.20000112.6
221V32.8Very low32.1Very low122 Ų122144.9 Ų144.974%0.73982%0.82SS**  173122.8125.4150.90000113.7
222T32Very low31.9Very low130 Ų130137.4 Ų137.480%0.79881%0.807SS**  trans70.4117.6146.557.50000124.6
223K27.5Very low31.7Very low209 Ų209139.2 Ų139.291%0.90981%0.809SS**  trans-70.6143.9145.7-80.9176.7171.4176.60111.3
224K32Very low31.3Very low210 Ų210140.6 Ų140.691%0.91381%0.811SS**  trans-140.7129.3151.7-109-177.8179.7179.20109.8
225S27.2Very low30.8Very low113 Ų113139.7 Ų139.779%0.7981%0.811SS**  trans-75.8150.1169.344.50000111.1
226N32.4Very low30.2Very low166 Ų166139.7 Ų139.789%0.88881%0.814SS**  trans-153.7139.7144.6-132.416.6000112.5
227D30.7Very low29.9Very low159 Ų159141.9 Ų141.985%0.8581%0.813SS**  trans-71.8153-175.9-79.8-53.4000114.5
228G26.9Very low29.6Very low66 Ų66140.1 Ų140.168%0.6881%0.806SS**  trans52.8119.4130.700000120.5
229I35.1Very low29.5Very low179 Ų179139 Ų13992%0.91881%0.81SS**  trans-156.6140.7131.9-92.2139.9000108.3
230K29.5Very low29.8Very low186 Ų186139.8 Ų139.881%0.80981%0.806SS**  trans-97.7162.3-174.1-157.3-179.3-171.2-175.80108.5
231E29.8Very low30.9Very low169 Ų169143.6 Ų143.679%0.7981%0.812SS**  trans122.4113.7151.7-63.8-174174.700117.5
232S28.8Very low32.3Very low102 Ų102140.5 Ų140.571%0.71379%0.792SS**  trans57.8114.7135.560.30000120.5
233S29.9Very low34.5Very low106 Ų106137.1 Ų137.174%0.74177%0.774SS**  166.4127.495.4-81.10000112.6
234D25.7Very low37Very low162 Ų162131.2 Ų131.287%0.86676%0.764SS**  trans42.1100145.2-62.5-22.2000120.9
235S28.7Very low39.4Very low115 Ų115125.5 Ų125.580%0.80474%0.743SS**  trans-146.5104.2133.8-163.60000109.5T237S235-T237 PolarHBondContact O-N 3.27Å
236S24.9Very low42.1Very low122 Ų122122.8 Ų122.885%0.85372%0.719SS**  trans-72.8101175.346.80000110.7
237T28.3Very low44.6Very low119 Ų119120.4 Ų120.473%0.7370%0.701SS**  trans-126.9110.7157.320000107.5S235 V239S235-T237 PolarHBondContact O-N 3.27Å; T237-V239 PolarHBondContact O-N 3.1Å
238A26.3Very low47.3Very low87 Ų87115.7 Ų115.772%0.71968%0.681SS**  trans-53.8106.317800000110.4M240A238-M240 PolarHBondContact O-N 3.25Å
239V31.3Very low50.2Low146 Ų146115.2 Ų115.289%0.88566%0.66SS**  trans-69.482.8164-97.70000107.4T237 E241T237-V239 PolarHBondContact O-N 3.1Å; V239-E241 PolarHBondContact O-N 3.37Å
240M38.9Very low52.8Low162 Ų162109.3 Ų109.380%0.79863%0.627SS**PPolyproline II helixtrans-66.7121.3162.8-61.2-175.6-149.800106.8A238 D242A238-M240 PolarHBondContact O-N 3.25Å; M240-D242 PolarHBondContact O-N 3.41Å; M240-D242 VanDerWaalsContact O-N 3.15Å
241E51.1Low55.8Low185 Ų185104.4 Ų104.486%0.86461%0.607SS**PPolyproline II helixtrans-55.5120.9172.1-73.5-174.3142.700109.1V239 S243V239-E241 PolarHBondContact O-N 3.37Å; E241-S243 PolarHBondContact O-N 3.1Å
242D61.7Low58.8Low57 Ų5799.2 Ų99.231%0.30559%0.585SS.*PPolyproline II helixtrans-53127.7176.4-74.4-34.7000109.8M240 I246 K247 K250M240-D242 PolarHBondContact O-N 3.41Å; M240-D242 VanDerWaalsContact O-N 3.15Å; D242-I246 HydrophobicContact CB-CB 4.1Å; D242-I246 HydrophobicContact CB-CG2 3.8Å; D242-I246 WeakPolarHBondContact OD1-CG2 3.39Å; D242-K247 HydrophobicContact CB-CD 4.46Å; D242-K247 HydrophobicContact CB-CG 3.71Å; D242-K247 VanDerWaalsContact O-CE 3.28Å; D242-K247 WeakPolarHBondContact O-CE 3.43Å; D242-K250 VanDerWaalsContact CG-NZ 3.3Å; D242-K250 IonicContact OD1-NZ 2.93Å; D242-K250 PolarHBondContact OD1-NZ 3.48Å; D242-K250 IonicContact OD2-NZ 3.44Å; D242-K250 PolarHBondContact OD2-NZ 3.43Å
243S78.7Confident61.8Low60 Ų6094.4 Ų94.442%0.4255%0.551SS.*PPolyproline II helixtrans-57.9154.7171.874.60000110.5E241 D245 I246 K247E241-S243 PolarHBondContact O-N 3.1Å; S243-D245 PolarHBondContact O-N 2.91Å; S243-D245 VanDerWaalsContact O-N 3.11Å; S243-I246 WeakPolarHBondContact O-CB 3.39Å; S243-I246 PolarHBondContact O-N 3.42Å; S243-I246 WeakPolarHBondContact OG-CG1 3.5Å; S243-I246 PolarHBondContact OG-N 2.82Å; S243-K247 PolarHBondContact O-N 3.23Å
244A79.2Confident64.8Low85 Ų8590.5 Ų90.570%0.70252%0.522SS*.Hα-helixtrans-54.8-32.9179.900000112.8S248A244-S248 WeakPolarHBondContact O-CB 3.5Å; A244-S248 PolarHBondContact O-N 2.81Å
245D82.1Confident67.9Low89 Ų8985.4 Ų85.448%0.47649%0.491SS..Hα-helixtrans-65.5-45.7174.3-176.948000112S243 K247 S248 K249S243-D245 PolarHBondContact O-N 2.91Å; S243-D245 VanDerWaalsContact O-N 3.11Å; D245-K247 PolarHBondContact O-N 3.43Å; D245-S248 PolarHBondContact O-N 2.96Å; D245-K249 WeakPolarHBondContact O-CG 3.28Å; D245-K249 PolarHBondContact O-N 2.82Å; D245-K249 IonicContact OD1-NZ 3.59Å; D245-K249 WeakPolarHBondContact OD2-CE 3.48Å; D245-K249 IonicContact OD2-NZ 2.77Å; D245-K249 PolarHBondContact OD2-NZ 3.47Å
246I84.4Confident71Confident56 Ų5680.3 Ų80.329%0.28746%0.455SS..Hα-helixtrans-61.3-45.1176.6-67.3168.6000110.4D242 S243 S248 K249 K250 L325D242-I246 HydrophobicContact CB-CB 4.1Å; D242-I246 HydrophobicContact CB-CG2 3.8Å; D242-I246 WeakPolarHBondContact OD1-CG2 3.39Å; S243-I246 WeakPolarHBondContact O-CB 3.39Å; S243-I246 PolarHBondContact O-N 3.42Å; S243-I246 WeakPolarHBondContact OG-CG1 3.5Å; S243-I246 PolarHBondContact OG-N 2.82Å; I246-S248 VanDerWaalsContact C-N 3.35Å; I246-S248 PolarHBondContact O-N 3.47Å; I246-K249 PolarHBondContact O-N 3.34Å; I246-K250 HydrophobicContact CG2-CD 4.25Å; I246-K250 HydrophobicContact CG2-CG 4.42Å; I246-K250 WeakPolarHBondContact O-CG 3.33Å; I246-K250 PolarHBondContact O-N 2.86Å; I246-L325 HydrophobicContact CB-CD1 4.47Å; I246-L325 HydrophobicContact CG2-CD1 3.94Å
247K84.1Confident74.3Confident116 Ų11674.5 Ų74.550%0.50442%0.415SS..Hα-helixtrans-60.4-43.7176.7-68.9-178.3179.6172.60111.8D242 S243 D245 K250 Q251D242-K247 HydrophobicContact CB-CD 4.46Å; D242-K247 HydrophobicContact CB-CG 3.71Å; D242-K247 VanDerWaalsContact O-CE 3.28Å; D242-K247 WeakPolarHBondContact O-CE 3.43Å; S243-K247 PolarHBondContact O-N 3.23Å; D245-K247 PolarHBondContact O-N 3.43Å; K247-K250 PolarHBondContact O-N 3.31Å; K247-Q251 PolarHBondContact O-N 2.97Å
248S87.3Confident77.4Confident61 Ų6171.2 Ų71.243%0.42739%0.391SS..Hα-helixtrans-60.6-46.7176.6-173.40000111.8A244 D245 I246 Q251 D252A244-S248 WeakPolarHBondContact O-CB 3.5Å; A244-S248 PolarHBondContact O-N 2.81Å; D245-S248 PolarHBondContact O-N 2.96Å; I246-S248 VanDerWaalsContact C-N 3.35Å; I246-S248 PolarHBondContact O-N 3.47Å; S248-Q251 PolarHBondContact O-N 2.95Å; S248-D252 PolarHBondContact O-N 3.44Å
249K87.9Confident80.5Confident55 Ų5569.5 Ų69.524%0.23937%0.368CS..Hα-helixtrans-61.9-43.7177.2-75.3171.3175.6162.90112.1D245 I246 Q251 D252 I253 L325D245-K249 WeakPolarHBondContact O-CG 3.28Å; D245-K249 PolarHBondContact O-N 2.82Å; D245-K249 IonicContact OD1-NZ 3.59Å; D245-K249 WeakPolarHBondContact OD2-CE 3.48Å; D245-K249 IonicContact OD2-NZ 2.77Å; D245-K249 PolarHBondContact OD2-NZ 3.47Å; I246-K249 PolarHBondContact O-N 3.34Å; K249-Q251 VanDerWaalsContact C-N 3.29Å; K249-Q251 PolarHBondContact O-N 3.11Å; K249-D252 WeakPolarHBondContact O-CB 3.36Å; K249-D252 PolarHBondContact O-N 2.96Å; K249-D252 VanDerWaalsContact O-N 3.16Å; K249-I253 PolarHBondContact O-N 2.84Å; K249-L325 HydrophobicContact CB-CD1 3.76Å; K249-L325 HydrophobicContact CB-CD2 4.19Å; K249-L325 HydrophobicContact CD-CD1 4.18Å
250K91.2Very high83.5Confident55 Ų5562.6 Ų62.624%0.23933%0.326CS..Hα-helixtrans-58.7-42.9174.7-71.5-176.1179.1177.70111.3D242 I246 K247 D252 I253 I254 V323 L325D242-K250 VanDerWaalsContact CG-NZ 3.3Å; D242-K250 IonicContact OD1-NZ 2.93Å; D242-K250 PolarHBondContact OD1-NZ 3.48Å; D242-K250 IonicContact OD2-NZ 3.44Å; D242-K250 PolarHBondContact OD2-NZ 3.43Å; I246-K250 HydrophobicContact CG2-CD 4.25Å; I246-K250 HydrophobicContact CG2-CG 4.42Å; I246-K250 WeakPolarHBondContact O-CG 3.33Å; I246-K250 PolarHBondContact O-N 2.86Å; K247-K250 PolarHBondContact O-N 3.31Å; K250-D252 VanDerWaalsContact C-N 3.35Å; K250-D252 PolarHBondContact O-N 2.92Å; K250-I253 PolarHBondContact O-N 3.33Å; K250-I254 WeakPolarHBondContact O-CG1 3.29Å; K250-I254 PolarHBondContact O-N 3.26Å; K250-I254 VanDerWaalsContact O-N 3.16Å; K250-V323 HydrophobicContact CB-CB 4.12Å; K250-V323 HydrophobicContact CB-CG1 4.25Å; K250-V323 HydrophobicContact CB-CG2 4.45Å; K250-V323 HydrophobicContact CD-CB 4.36Å; K250-V323 WeakPolarHBondContact CE-O 3.48Å; K250-V323 HydrophobicContact CG-CB 3.9Å; K250-V323 HydrophobicContact CG-CG1 3.94Å; K250-L325 HydrophobicContact CG-CD1 4.41Å; K250-L325 HydrophobicContact CG-CG 4.34Å
251Q91.2Very high86Confident84 Ų8455 Ų5539%0.39329%0.289SS..Hα-helixtrans-67.1-33.3177.1-166.267.142.700112.8K247 S248 K249 I253 I254 R255K247-Q251 PolarHBondContact O-N 2.97Å; S248-Q251 PolarHBondContact O-N 2.95Å; K249-Q251 VanDerWaalsContact C-N 3.29Å; K249-Q251 PolarHBondContact O-N 3.11Å; Q251-I253 VanDerWaalsContact C-N 3.34Å; Q251-I254 PolarHBondContact O-N 3.19Å; Q251-R255 WeakPolarHBondContact O-CB 3.37Å; Q251-R255 VanDerWaalsContact O-CG 3.31Å; Q251-R255 WeakPolarHBondContact O-CG 3.37Å; Q251-R255 PolarHBondContact O-N 3.15Å
252D92.3Very high87.8Confident60 Ų6046.7 Ų46.732%0.32125%0.251SS..Hα-helixtrans-59.9-41.9172.6-81.6-42.3000112.3S248 K249 K250 R255 A256S248-D252 PolarHBondContact O-N 3.44Å; K249-D252 WeakPolarHBondContact O-CB 3.36Å; K249-D252 PolarHBondContact O-N 2.96Å; K249-D252 VanDerWaalsContact O-N 3.16Å; K250-D252 VanDerWaalsContact C-N 3.35Å; K250-D252 PolarHBondContact O-N 2.92Å; D252-R255 VanDerWaalsContact CG-NH2 3.27Å; D252-R255 PolarHBondContact O-N 3.23Å; D252-R255 IonicContact OD1-CZ 3.52Å; D252-R255 IonicContact OD1-NE 3.84Å; D252-R255 PolarHBondContact OD1-NE 3.21Å; D252-R255 IonicContact OD1-NH2 2.65Å; D252-R255 PolarHBondContact OD1-NH2 3.42Å; D252-R255 IonicContact OD2-NH2 3.52Å; D252-A256 PolarHBondContact O-N 3.47Å
253I92.5Very high89.1Confident0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-66.9-42.1177.6-59.4-57.8000111.9K249 K250 Q251 R255 A256 T257 V323 A331 I333 W359 W367K249-I253 PolarHBondContact O-N 2.84Å; K250-I253 PolarHBondContact O-N 3.33Å; Q251-I253 VanDerWaalsContact C-N 3.34Å; I253-R255 VanDerWaalsContact C-N 3.32Å; I253-R255 PolarHBondContact O-N 2.78Å; I253-A256 PolarHBondContact O-N 3.02Å; I253-T257 WeakPolarHBondContact O-CB 3.43Å; I253-T257 PolarHBondContact O-N 2.74Å; I253-T257 PolarHBondContact O-OG1 3.2Å; I253-V323 HydrophobicContact CB-CG1 4.04Å; I253-V323 HydrophobicContact CB-CG2 4.46Å; I253-V323 HydrophobicContact CG1-CG1 4.13Å; I253-V323 HydrophobicContact CG2-CG1 4.11Å; I253-V323 HydrophobicContact CG2-CG2 4.38Å; I253-A331 HydrophobicContact CD1-CB 3.55Å; I253-A331 HydrophobicContact CG1-CB 3.59Å; I253-A331 HydrophobicContact CG2-CB 4.46Å; I253-I333 HydrophobicContact CG2-CB 3.87Å; I253-I333 HydrophobicContact CG2-CD1 4.36Å; I253-I333 HydrophobicContact CG2-CG2 3.98Å; I253-W359 HydrophobicContact CD1-CB 4.11Å; I253-W359 HydrophobicContact CD1-CG 4.45Å; I253-W359 HydrophobicContact CG2-CG 4.4Å; I253-W367 HydrophobicContact CD1-CD2 3.51Å; I253-W367 VanDerWaalsContact CD1-CE2 3.43Å; I253-W367 HydrophobicContact CD1-CE3 3.71Å; I253-W367 HydrophobicContact CD1-CG 4.12Å; I253-W367 HydrophobicContact CD1-CH2 3.83Å; I253-W367 HydrophobicContact CD1-CZ2 3.62Å; I253-W367 HydrophobicContact CD1-CZ3 3.85Å
254I92.9Very high89.6Confident24 Ų2441.3 Ų41.312%0.12322%0.219CC..Hα-helixtrans-59.6-47174.9-65.2169000109.5K250 Q251 A256 T257 E258 P321 V323 I333K250-I254 WeakPolarHBondContact O-CG1 3.29Å; K250-I254 PolarHBondContact O-N 3.26Å; K250-I254 VanDerWaalsContact O-N 3.16Å; Q251-I254 PolarHBondContact O-N 3.19Å; I254-A256 PolarHBondContact O-N 3.48Å; I254-T257 WeakPolarHBondContact O-CB 3.35Å; I254-T257 PolarHBondContact O-N 3.13Å; I254-E258 HydrophobicContact CG2-CG 4.41Å; I254-E258 WeakPolarHBondContact O-CG 3.37Å; I254-E258 PolarHBondContact O-N 2.92Å; I254-P321 HydrophobicContact CD1-CB 4.32Å; I254-P321 HydrophobicContact CD1-CG 4.1Å; I254-P321 HydrophobicContact CG1-CB 4.25Å; I254-P321 HydrophobicContact CG1-CG 4.46Å; I254-V323 HydrophobicContact CD1-CG2 4.3Å; I254-V323 HydrophobicContact CG1-CG2 3.89Å; I254-I333 HydrophobicContact CG1-CD1 4Å
255R90.8Very high89.8Confident56 Ų5638 Ų3821%0.21119%0.191CC..Hα-helixtrans-59.2-46.9177.5-76.2-171.6-74.2-98.55.1112.7I191 Q251 D252 I253 T257 E258 Q259I191-R255 HydrophobicContact CD1-CB 4.28Å; I191-R255 HydrophobicContact CD1-CG 3.86Å; Q251-R255 WeakPolarHBondContact O-CB 3.37Å; Q251-R255 VanDerWaalsContact O-CG 3.31Å; Q251-R255 WeakPolarHBondContact O-CG 3.37Å; Q251-R255 PolarHBondContact O-N 3.15Å; D252-R255 VanDerWaalsContact CG-NH2 3.27Å; D252-R255 PolarHBondContact O-N 3.23Å; D252-R255 IonicContact OD1-CZ 3.52Å; D252-R255 IonicContact OD1-NE 3.84Å; D252-R255 PolarHBondContact OD1-NE 3.21Å; D252-R255 IonicContact OD1-NH2 2.65Å; D252-R255 PolarHBondContact OD1-NH2 3.42Å; D252-R255 IonicContact OD2-NH2 3.52Å; I253-R255 VanDerWaalsContact C-N 3.32Å; I253-R255 PolarHBondContact O-N 2.78Å; R255-T257 VanDerWaalsContact C-N 3.25Å; R255-T257 PolarHBondContact O-N 2.97Å; R255-E258 PolarHBondContact O-N 3.26Å; R255-Q259 WeakPolarHBondContact O-CG 3.36Å; R255-Q259 PolarHBondContact O-N 2.99Å
256A94Very high89.9Confident8 Ų836.5 Ų36.57%0.06619%0.192CC..Hα-helixtrans-60.9-38.417800000111.5D252 I253 I254 Q259 L260 W359 W367D252-A256 PolarHBondContact O-N 3.47Å; I253-A256 PolarHBondContact O-N 3.02Å; I254-A256 PolarHBondContact O-N 3.48Å; A256-Q259 PolarHBondContact O-N 3.46Å; A256-L260 WeakPolarHBondContact O-CB 3.38Å; A256-L260 PolarHBondContact O-N 3Å; A256-W359 HydrophobicContact CB-CE3 4.37Å; A256-W359 HydrophobicContact CB-CH2 3.89Å; A256-W359 HydrophobicContact CB-CZ2 4.15Å; A256-W359 HydrophobicContact CB-CZ3 4.01Å; A256-W367 HydrophobicContact CB-CB 4.29Å
257T94.9Very high90Very high0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-66.8-45.8176.9-54.20000112I253 I254 R255 Q259 L260 L261 I318 Y335 W359I253-T257 WeakPolarHBondContact O-CB 3.43Å; I253-T257 PolarHBondContact O-N 2.74Å; I253-T257 PolarHBondContact O-OG1 3.2Å; I254-T257 WeakPolarHBondContact O-CB 3.35Å; I254-T257 PolarHBondContact O-N 3.13Å; R255-T257 VanDerWaalsContact C-N 3.25Å; R255-T257 PolarHBondContact O-N 2.97Å; T257-Q259 VanDerWaalsContact C-N 3.32Å; T257-Q259 PolarHBondContact O-N 3.11Å; T257-L260 PolarHBondContact O-N 2.66Å; T257-L261 HydrophobicContact CG2-CD1 4.39Å; T257-L261 WeakPolarHBondContact O-CG 3.14Å; T257-L261 PolarHBondContact O-N 3.46Å; T257-I318 HydrophobicContact CG2-CD1 3.81Å; T257-Y335 HydrophobicContact CG2-CD1 4.41Å; T257-Y335 HydrophobicContact CG2-CE1 3.6Å; T257-W359 PolarHBondContact OG1-NE1 3.3Å
258E92.6Very high90.2Very high49 Ų4933 Ų3323%0.22919%0.185CC..Hα-helixtrans-59.1-43.2175.5-71.4172.4156.500111.7I191 I254 R255 L261 A262 I318I191-E258 HydrophobicContact CG2-CB 4.17Å; I191-E258 WeakPolarHBondContact CG2-OE2 3.31Å; I254-E258 HydrophobicContact CG2-CG 4.41Å; I254-E258 WeakPolarHBondContact O-CG 3.37Å; I254-E258 PolarHBondContact O-N 2.92Å; R255-E258 PolarHBondContact O-N 3.26Å; E258-L261 PolarHBondContact O-N 2.92Å; E258-A262 WeakPolarHBondContact O-CB 3.3Å; E258-A262 PolarHBondContact O-N 3.28Å; E258-I318 HydrophobicContact CG-CD1 3.83Å
259Q92.5Very high90.5Very high52 Ų5231.5 Ų31.524%0.24317%0.171CC..Hα-helixtrans-65.9-42.5178.9-71.2177.4-16.200112.7I191 R255 A256 T257 A262 A263 F275I191-Q259 HydrophobicContact CG1-CG 4.14Å; R255-Q259 WeakPolarHBondContact O-CG 3.36Å; R255-Q259 PolarHBondContact O-N 2.99Å; A256-Q259 PolarHBondContact O-N 3.46Å; T257-Q259 VanDerWaalsContact C-N 3.32Å; T257-Q259 PolarHBondContact O-N 3.11Å; Q259-A262 PolarHBondContact O-N 3.47Å; Q259-A263 PolarHBondContact O-N 2.9Å; Q259-F275 HydrophobicContact CB-CE1 4.04Å; Q259-F275 HydrophobicContact CB-CE2 4.16Å; Q259-F275 HydrophobicContact CB-CZ 3.53Å; Q259-F275 HydrophobicContact CG-CZ 4.49Å
260L93.9Very high90.8Very high0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-61.1-48.3175.4178159.1000111.3A256 T257 A262 A263 A264 Y272 F275 L276 W359 N369A256-L260 WeakPolarHBondContact O-CB 3.38Å; A256-L260 PolarHBondContact O-N 3Å; T257-L260 PolarHBondContact O-N 2.66Å; L260-A262 VanDerWaalsContact C-N 3.28Å; L260-A262 PolarHBondContact O-N 2.96Å; L260-A263 PolarHBondContact O-N 3.31Å; L260-A264 PolarHBondContact O-N 2.94Å; L260-Y272 HydrophobicContact CD2-CD2 4.25Å; L260-Y272 HydrophobicContact CD2-CE2 3.72Å; L260-Y272 HydrophobicContact CG-CD2 4.15Å; L260-Y272 HydrophobicContact CG-CE2 3.98Å; L260-F275 HydrophobicContact CB-CB 4.22Å; L260-F275 HydrophobicContact CB-CD2 4.39Å; L260-F275 HydrophobicContact CB-CG 4.19Å; L260-F275 HydrophobicContact CD1-CB 3.87Å; L260-F275 HydrophobicContact CG-CB 4.24Å; L260-L276 HydrophobicContact CD1-CD2 4.04Å; L260-W359 HydrophobicContact CB-CH2 4.11Å; L260-W359 HydrophobicContact CB-CZ2 4.46Å; L260-W359 HydrophobicContact CD1-CH2 3.66Å; L260-W359 HydrophobicContact CD1-CZ2 3.99Å; L260-N369 HydrophobicContact CD1-CB 3.95Å
261L91.8Very high90.9Very high4 Ų435.3 Ų35.32%0.02119%0.192CC..Hα-helixtrans-64-36.4179.5-69.1-177.3000111.9T257 E258 A264 A265 T316 I318 Y335T257-L261 HydrophobicContact CG2-CD1 4.39Å; T257-L261 WeakPolarHBondContact O-CG 3.14Å; T257-L261 PolarHBondContact O-N 3.46Å; E258-L261 PolarHBondContact O-N 2.92Å; L261-A264 PolarHBondContact O-N 2.82Å; L261-A265 WeakPolarHBondContact O-CB 3.37Å; L261-A265 PolarHBondContact O-N 3.16Å; L261-T316 HydrophobicContact CB-CG2 4.42Å; L261-T316 HydrophobicContact CD1-CG2 4.05Å; L261-I318 HydrophobicContact CD1-CD1 3.78Å; L261-I318 HydrophobicContact CD1-CG1 3.76Å; L261-Y335 HydrophobicContact CD1-CE2 4.02Å
262A87.6Confident91Very high9 Ų931.6 Ų31.67%0.07418%0.175CC..Hα-helixtrans-74.3-31.6-179.700000112.1T194 E258 Q259 L260 A266T194-A262 VanDerWaalsContact CB-CB 3.46Å; T194-A262 HydrophobicContact CG2-CB 3.15Å; E258-A262 WeakPolarHBondContact O-CB 3.3Å; E258-A262 PolarHBondContact O-N 3.28Å; Q259-A262 PolarHBondContact O-N 3.47Å; L260-A262 VanDerWaalsContact C-N 3.28Å; L260-A262 PolarHBondContact O-N 2.96Å; A262-A266 WeakPolarHBondContact O-CB 3.3Å; A262-A266 PolarHBondContact O-N 3.39Å
263A89.1Confident91.1Very high1 Ų132.2 Ų32.21%0.00818%0.178CC..Hα-helixtrans-62.8-42.8167.300000111.8Q259 L260 A266 G267 D268 L271Q259-A263 PolarHBondContact O-N 2.9Å; L260-A263 PolarHBondContact O-N 3.31Å; A263-A266 PolarHBondContact O-N 3.07Å; A263-G267 PolarHBondContact O-N 3.16Å; A263-D268 PolarHBondContact O-N 3.22Å; A263-D268 VanDerWaalsContact O-N 3.09Å; A263-L271 HydrophobicContact CB-CB 4.13Å; A263-L271 HydrophobicContact CB-CD2 3.86Å; A263-L271 HydrophobicContact CB-CG 3.81Å
264A88.7Confident91.2Very high4 Ų438.9 Ų38.93%0.03321%0.207CC..Hα-helixtrans-62.9-46.7176.300000112.6L260 L261 A266 G267 Y272 F302L260-A264 PolarHBondContact O-N 2.94Å; L261-A264 PolarHBondContact O-N 2.82Å; A264-A266 VanDerWaalsContact C-N 3.25Å; A264-A266 PolarHBondContact O-N 3.01Å; A264-G267 PolarHBondContact O-N 3.39Å; A264-G267 VanDerWaalsContact O-N 3.07Å; A264-Y272 HydrophobicContact CB-CD2 4.02Å; A264-Y272 HydrophobicContact CB-CE2 4.15Å; A264-F302 HydrophobicContact CB-CZ 4.08Å
265A84.3Confident91.3Very high14 Ų1439.2 Ų39.212%0.11621%0.207CC..Hα-helixtrans-68.7-22.9178.500000113.2T198 L261 G267T198-A265 HydrophobicContact CG2-CB 3.31Å; L261-A265 WeakPolarHBondContact O-CB 3.37Å; L261-A265 PolarHBondContact O-N 3.16Å; A265-G267 VanDerWaalsContact C-N 3.33Å
266A83.5Confident91.5Very high59 Ų5936.7 Ų36.749%0.48820%0.198SC..Hα-helixtrans-80.9-10.9172.200000113.6A262 A263 A264 D268A262-A266 WeakPolarHBondContact O-CB 3.3Å; A262-A266 PolarHBondContact O-N 3.39Å; A263-A266 PolarHBondContact O-N 3.07Å; A264-A266 VanDerWaalsContact C-N 3.25Å; A264-A266 PolarHBondContact O-N 3.01Å; A266-D268 VanDerWaalsContact C-N 3.25Å; A266-D268 PolarHBondContact O-N 2.89Å
267G86.6Confident91.3Very high28 Ų2836.8 Ų36.829%0.28920%0.198SC..THydrogen-bonded Turntrans69.720.1-172.600000113.8A263 A264 A265 F269A263-G267 PolarHBondContact O-N 3.16Å; A264-G267 PolarHBondContact O-N 3.39Å; A264-G267 VanDerWaalsContact O-N 3.07Å; A265-G267 VanDerWaalsContact C-N 3.33Å; G267-F269 PolarHBondContact O-N 3.43Å
268D89.5Confident91Very high69 Ų6941.2 Ų41.237%0.36923%0.228SC..  trans-89.289.3179-173-14.9000110.4A263 A266 E270 L271 Y272A263-D268 PolarHBondContact O-N 3.22Å; A263-D268 VanDerWaalsContact O-N 3.09Å; A266-D268 VanDerWaalsContact C-N 3.25Å; A266-D268 PolarHBondContact O-N 2.89Å; D268-E270 VanDerWaalsContact C-N 3.35Å; D268-E270 PolarHBondContact O-N 2.93Å; D268-E270 PolarHBondContact OD1-N 3.46Å; D268-L271 HydrophobicContact CB-CB 4.12Å; D268-L271 PolarHBondContact O-N 2.9Å; D268-L271 WeakPolarHBondContact OD1-CB 3.41Å; D268-L271 PolarHBondContact OD1-N 2.81Å; D268-L271 WeakPolarHBondContact OD2-CB 3.11Å; D268-Y272 VanDerWaalsContact O-CB 3.31Å; D268-Y272 WeakPolarHBondContact O-CB 3.37Å; D268-Y272 PolarHBondContact O-N 3.18Å
269F93.1Very high90.8Very high30 Ų3045.4 Ų45.413%0.13225%0.248CC..Hα-helixtrans-66-35.7-178-174.7-113000112.8G267 Y272 L273 A295 K299 F302G267-F269 PolarHBondContact O-N 3.43Å; F269-Y272 HydrophobicContact CD2-CD1 4.21Å; F269-Y272 HydrophobicContact CE2-CD1 4.27Å; F269-Y272 PolarHBondContact O-N 3.38Å; F269-L273 HydrophobicContact CE1-CD2 4.49Å; F269-L273 VanDerWaalsContact O-CB 3.3Å; F269-L273 WeakPolarHBondContact O-CB 3.42Å; F269-L273 PolarHBondContact O-N 2.97Å; F269-A295 HydrophobicContact CZ-CB 4.32Å; F269-K299 HydrophobicContact CD1-CG 4.24Å; F269-K299 HydrophobicContact CE1-CB 4.05Å; F269-K299 HydrophobicContact CE1-CD 3.87Å; F269-K299 HydrophobicContact CE1-CG 3.76Å; F269-K299 HydrophobicContact CE2-CB 3.82Å; F269-K299 HydrophobicContact CE2-CG 4.31Å; F269-K299 HydrophobicContact CZ-CB 3.54Å; F269-K299 HydrophobicContact CZ-CD 4.13Å; F269-K299 HydrophobicContact CZ-CG 3.81Å; F269-F302 HydrophobicContact CB-CB 3.93Å; F269-F302 HydrophobicContact CB-CD1 3.68Å; F269-F302 HydrophobicContact CB-CE1 4.27Å; F269-F302 HydrophobicContact CB-CG 3.82Å; F269-F302 HydrophobicContact CD2-CB 4.05Å; F269-F302 HydrophobicContact CD2-CD1 4.2Å; F269-F302 AromaticContact CD2-CD2 3.56Å; F269-F302 HydrophobicContact CD2-CD2 3.56Å; F269-F302 AromaticContact CD2-CE2 3.95Å; F269-F302 HydrophobicContact CD2-CE2 3.95Å; F269-F302 AromaticContact CD2-CG 3.69Å; F269-F302 HydrophobicContact CD2-CG 3.69Å; F269-F302 HydrophobicContact CD2-CZ 4.41Å; F269-F302 HydrophobicContact CE2-CD2 4.28Å; F269-F302 HydrophobicContact CG-CB 4.23Å; F269-F302 HydrophobicContact CG-CD1 4.44Å; F269-F302 HydrophobicContact CG-CD2 4.46Å; F269-F302 HydrophobicContact CG-CG 4.15Å
270E94.1Very high90.7Very high130 Ų13043 Ų4361%0.60724%0.237SC*.Hα-helixtrans-65.9-41.8179.9-70-62.7151.200111.3D268 K274D268-E270 VanDerWaalsContact C-N 3.35Å; D268-E270 PolarHBondContact O-N 2.93Å; D268-E270 PolarHBondContact OD1-N 3.46Å; E270-K274 WeakPolarHBondContact O-CG 3.39Å; E270-K274 PolarHBondContact O-N 2.95Å
271L93Very high90.2Very high60 Ų6044.6 Ų44.631%0.31425%0.247SC..Hα-helixtrans-69.3-41.5173.5-177.359.7000111.7A263 D268 L273 K274 F275A263-L271 HydrophobicContact CB-CB 4.13Å; A263-L271 HydrophobicContact CB-CD2 3.86Å; A263-L271 HydrophobicContact CB-CG 3.81Å; D268-L271 HydrophobicContact CB-CB 4.12Å; D268-L271 PolarHBondContact O-N 2.9Å; D268-L271 WeakPolarHBondContact OD1-CB 3.41Å; D268-L271 PolarHBondContact OD1-N 2.81Å; D268-L271 WeakPolarHBondContact OD2-CB 3.11Å; L271-L273 VanDerWaalsContact C-N 3.33Å; L271-L273 PolarHBondContact O-N 3Å; L271-K274 HydrophobicContact CD1-CD 4.38Å; L271-K274 WeakPolarHBondContact O-CB 3.49Å; L271-K274 PolarHBondContact O-N 2.61Å; L271-F275 HydrophobicContact CD1-CE2 3.98Å; L271-F275 HydrophobicContact CG-CE2 4.17Å; L271-F275 VanDerWaalsContact O-CD2 3.27Å; L271-F275 WeakPolarHBondContact O-CD2 3.37Å
272Y93.8Very high90Very high6 Ų644.7 Ų44.72%0.02425%0.246CC..Hα-helixtrans-57.9-45.5176.4179-100.6000111.6L260 A264 D268 F269 K274 F275 L276 H298 F302L260-Y272 HydrophobicContact CD2-CD2 4.25Å; L260-Y272 HydrophobicContact CD2-CE2 3.72Å; L260-Y272 HydrophobicContact CG-CD2 4.15Å; L260-Y272 HydrophobicContact CG-CE2 3.98Å; A264-Y272 HydrophobicContact CB-CD2 4.02Å; A264-Y272 HydrophobicContact CB-CE2 4.15Å; D268-Y272 VanDerWaalsContact O-CB 3.31Å; D268-Y272 WeakPolarHBondContact O-CB 3.37Å; D268-Y272 PolarHBondContact O-N 3.18Å; F269-Y272 HydrophobicContact CD2-CD1 4.21Å; F269-Y272 HydrophobicContact CE2-CD1 4.27Å; F269-Y272 PolarHBondContact O-N 3.38Å; Y272-K274 VanDerWaalsContact C-N 3.27Å; Y272-K274 PolarHBondContact O-N 3.48Å; Y272-F275 PolarHBondContact O-N 3.36Å; Y272-L276 HydrophobicContact CD1-CD1 3.98Å; Y272-L276 HydrophobicContact CD1-CG 4.44Å; Y272-L276 HydrophobicContact CE1-CD1 3.42Å; Y272-L276 VanDerWaalsContact CE1-CD1 3.42Å; Y272-L276 HydrophobicContact CE1-CD2 4.47Å; Y272-L276 HydrophobicContact CE1-CG 4.14Å; Y272-H298 HydrophobicContact CE1-CB 4.16Å; Y272-H298 AromaticContact CE1-ND1 3.74Å; Y272-H298 AromaticContact CZ-ND1 3.8Å; Y272-H298 PolarHBondContact OH-CE1 2.96Å; Y272-H298 PolarHBondContact OH-ND1 3.48Å; Y272-F302 AromaticContact CD1-CE2 3.79Å; Y272-F302 HydrophobicContact CD1-CE2 3.79Å; Y272-F302 AromaticContact CD1-CZ 3.82Å; Y272-F302 HydrophobicContact CD1-CZ 3.82Å; Y272-F302 HydrophobicContact CD2-CE2 4.44Å; Y272-F302 AromaticContact CD2-CZ 3.9Å; Y272-F302 HydrophobicContact CD2-CZ 3.9Å; Y272-F302 HydrophobicContact CE1-CE2 4.02Å; Y272-F302 HydrophobicContact CE1-CZ 4.38Å; Y272-F302 HydrophobicContact CE2-CZ 4.46Å; Y272-F302 HydrophobicContact CG-CE1 4.46Å; Y272-F302 HydrophobicContact CG-CE2 4.01Å; Y272-F302 AromaticContact CG-CZ 3.55Å; Y272-F302 HydrophobicContact CG-CZ 3.55Å
273L94.7Very high89.7Confident73 Ų7347.5 Ų47.538%0.38226%0.257SS..Hα-helixtrans-61.3-32.8179.1-171.965000112.7F269 L271 F275 L276 A295F269-L273 HydrophobicContact CE1-CD2 4.49Å; F269-L273 VanDerWaalsContact O-CB 3.3Å; F269-L273 WeakPolarHBondContact O-CB 3.42Å; F269-L273 PolarHBondContact O-N 2.97Å; L271-L273 VanDerWaalsContact C-N 3.33Å; L271-L273 PolarHBondContact O-N 3Å; L273-F275 PolarHBondContact O-N 3.39Å; L273-L276 PolarHBondContact O-N 3.25Å; L273-A295 HydrophobicContact CD1-CB 3.95Å
274K94Very high89.5Confident141 Ų14147.6 Ų47.661%0.61326%0.259SS*.Hα-helixtrans-63.3-21.9176.1-72.6173.1-175.8172.50113.7E270 L271 Y272 Q368E270-K274 WeakPolarHBondContact O-CG 3.39Å; E270-K274 PolarHBondContact O-N 2.95Å; L271-K274 HydrophobicContact CD1-CD 4.38Å; L271-K274 WeakPolarHBondContact O-CB 3.49Å; L271-K274 PolarHBondContact O-N 2.61Å; Y272-K274 VanDerWaalsContact C-N 3.27Å; Y272-K274 PolarHBondContact O-N 3.48Å; K274-Q368 PolarHBondContact O-NE2 2.82Å; K274-Q368 PolarHBondContact O-OE1 3.16Å
275F94.7Very high89.2Confident30 Ų3050 Ų5013%0.13227%0.274CS..THydrogen-bonded Turntrans-91.3-6.5175.7-69.7-80.4000113Q259 L260 L271 Y272 L273 W359 Q368 N369Q259-F275 HydrophobicContact CB-CE1 4.04Å; Q259-F275 HydrophobicContact CB-CE2 4.16Å; Q259-F275 HydrophobicContact CB-CZ 3.53Å; Q259-F275 HydrophobicContact CG-CZ 4.49Å; L260-F275 HydrophobicContact CB-CB 4.22Å; L260-F275 HydrophobicContact CB-CD2 4.39Å; L260-F275 HydrophobicContact CB-CG 4.19Å; L260-F275 HydrophobicContact CD1-CB 3.87Å; L260-F275 HydrophobicContact CG-CB 4.24Å; L271-F275 HydrophobicContact CD1-CE2 3.98Å; L271-F275 HydrophobicContact CG-CE2 4.17Å; L271-F275 VanDerWaalsContact O-CD2 3.27Å; L271-F275 WeakPolarHBondContact O-CD2 3.37Å; Y272-F275 PolarHBondContact O-N 3.36Å; L273-F275 PolarHBondContact O-N 3.39Å; F275-W359 HydrophobicContact CB-CH2 4.33Å; F275-W359 HydrophobicContact CB-CZ3 4.4Å; F275-W359 HydrophobicContact CD1-CH2 4.2Å; F275-W359 HydrophobicContact CD1-CZ3 4.23Å; F275-Q368 CarbonylContact O-C 3.47Å; F275-Q368 WeakPolarHBondContact O-CA 3.39Å; F275-N369 PolarHBondContact O-N 3.17Å
276L94.6Very high89.3Confident4 Ų451 Ų512%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-99.6141.2-177.5-59.7-168.6000111.7L260 Y272 L273 F280 A295 Q368 N369L260-L276 HydrophobicContact CD1-CD2 4.04Å; Y272-L276 HydrophobicContact CD1-CD1 3.98Å; Y272-L276 HydrophobicContact CD1-CG 4.44Å; Y272-L276 HydrophobicContact CE1-CD1 3.42Å; Y272-L276 VanDerWaalsContact CE1-CD1 3.42Å; Y272-L276 HydrophobicContact CE1-CD2 4.47Å; Y272-L276 HydrophobicContact CE1-CG 4.14Å; L273-L276 PolarHBondContact O-N 3.25Å; L276-F280 HydrophobicContact CB-CB 4.27Å; L276-F280 HydrophobicContact CB-CG 4.36Å; L276-F280 HydrophobicContact CD1-CD1 3.96Å; L276-F280 HydrophobicContact CD1-CD2 4.42Å; L276-F280 HydrophobicContact CD1-CE1 4.17Å; L276-F280 HydrophobicContact CD1-CG 4.07Å; L276-F280 HydrophobicContact CD1-CZ 4.46Å; L276-F280 HydrophobicContact CD2-CD2 3.84Å; L276-F280 HydrophobicContact CD2-CE2 3.84Å; L276-F280 HydrophobicContact CD2-CG 4.3Å; L276-F280 HydrophobicContact CD2-CZ 4.31Å; L276-F280 HydrophobicContact CG-CD2 4.49Å; L276-F280 HydrophobicContact CG-CG 4.48Å; L276-A295 HydrophobicContact CD1-CB 3.8Å; L276-Q368 PolarHBondContact O-OE1 3.17Å; L276-Q368 VanDerWaalsContact O-OE1 3.11Å; L276-N369 HydrophobicContact CD2-CB 4.02Å
277D91.5Very high89.2Confident10 Ų1048.4 Ų48.45%0.05326%0.255CS..EExtended strand (participates in β ladder)trans-69.3152.5168-166.1-72.8000110.6Q279 F280 R362 Q368 N369 V370D277-Q279 PolarHBondContact O-N 2.84Å; D277-Q279 PolarHBondContact OD1-N 2.83Å; D277-F280 WeakPolarHBondContact O-CB 3.47Å; D277-F280 PolarHBondContact O-N 2.6Å; D277-F280 VanDerWaalsContact O-N 3.07Å; D277-R362 IonicContact OD2-CZ 3.39Å; D277-R362 VanDerWaalsContact OD2-CZ 3.32Å; D277-R362 IonicContact OD2-NE 2.66Å; D277-R362 PolarHBondContact OD2-NE 3.45Å; D277-R362 IonicContact OD2-NH2 2.61Å; D277-R362 PolarHBondContact OD2-NH2 3.03Å; D277-Q368 HydrophobicContact CB-CB 4.19Å; D277-N369 PolarHBondContact N-O 3.28Å; D277-V370 HydrophobicContact CB-CB 4.36Å; D277-V370 HydrophobicContact CB-CG1 3.69Å
278S88.5Confident89.3Confident92 Ų9252.3 Ų52.364%0.64328%0.276SS*.EExtended strand (participates in β ladder)trans-59-28.5174.341.40000113.6
279Q87.2Confident88.8Confident138 Ų13851.7 Ų51.765%0.64529%0.286SS*.EExtended strand (participates in β ladder)trans-103.432.7176.1-61.9179.87.700111.4D277 T281D277-Q279 PolarHBondContact O-N 2.84Å; D277-Q279 PolarHBondContact OD1-N 2.83Å; Q279-T281 PolarHBondContact O-N 3.36Å
280F89.8Confident88.3Confident1 Ų154.9 Ų54.90%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-57137.3179.7169.6-101.8000111.7L276 D277 G294 H298 N369 V370 V372L276-F280 HydrophobicContact CB-CB 4.27Å; L276-F280 HydrophobicContact CB-CG 4.36Å; L276-F280 HydrophobicContact CD1-CD1 3.96Å; L276-F280 HydrophobicContact CD1-CD2 4.42Å; L276-F280 HydrophobicContact CD1-CE1 4.17Å; L276-F280 HydrophobicContact CD1-CG 4.07Å; L276-F280 HydrophobicContact CD1-CZ 4.46Å; L276-F280 HydrophobicContact CD2-CD2 3.84Å; L276-F280 HydrophobicContact CD2-CE2 3.84Å; L276-F280 HydrophobicContact CD2-CG 4.3Å; L276-F280 HydrophobicContact CD2-CZ 4.31Å; L276-F280 HydrophobicContact CG-CD2 4.49Å; L276-F280 HydrophobicContact CG-CG 4.48Å; D277-F280 WeakPolarHBondContact O-CB 3.47Å; D277-F280 PolarHBondContact O-N 2.6Å; D277-F280 VanDerWaalsContact O-N 3.07Å; F280-G294 PolarHBondContact O-N 3.35Å; F280-H298 AromaticContact CE1-CE1 3.29Å; F280-H298 WeakPolarHBondContact CE1-CE1 3.35Å; F280-H298 AromaticContact CE1-ND1 3.61Å; F280-H298 AromaticContact CZ-CE1 3.52Å; F280-N369 WeakPolarHBondContact CD2-O 3.45Å; F280-V370 WeakPolarHBondContact CA-O 3.25Å; F280-V372 HydrophobicContact CE2-CB 4.38Å; F280-V372 HydrophobicContact CE2-CG1 3.86Å; F280-V372 HydrophobicContact CZ-CB 4.46Å; F280-V372 HydrophobicContact CZ-CG1 3.5Å; F280-V372 VanDerWaalsContact CZ-CG1 3.5Å
281T84.7Confident87.8Confident34 Ų3453.8 Ų53.821%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-122.6143.6176.553.30000112.1Q279 L292 V370 H371 V372Q279-T281 PolarHBondContact O-N 3.36Å; T281-L292 CarbonylContact C-O 3.53Å; T281-L292 VanDerWaalsContact CA-O 3.23Å; T281-L292 WeakPolarHBondContact CA-O 3.38Å; T281-V370 PolarHBondContact N-O 2.9Å; T281-V370 PolarHBondContact OG1-O 3.01Å; T281-H371 WeakPolarHBondContact O-CA 3.23Å; T281-H371 PolarHBondContact O-ND1 2.76Å; T281-H371 PolarHBondContact OG1-ND1 2.93Å; T281-V372 PolarHBondContact O-N 2.96Å
282Y87.7Confident87.3Confident5 Ų552.9 Ų52.92%0.0230%0.298CS..EExtended strand (participates in β ladder)trans-126.3132-176.8177.1-99000111.5E286 A287 L292 F297 H298 V372 R374Y282-E286 PolarHBondContact OH-OE2 3.47Å; Y282-A287 HydrophobicContact CD1-CB 4.18Å; Y282-A287 HydrophobicContact CE1-CB 4.18Å; Y282-L292 HydrophobicContact CD1-CD1 3.96Å; Y282-L292 HydrophobicContact CD1-CG 4.41Å; Y282-L292 PolarHBondContact N-O 3.43Å; Y282-L292 PolarHBondContact O-N 2.97Å; Y282-F297 HydrophobicContact CD1-CD1 4.33Å; Y282-F297 HydrophobicContact CD1-CE1 4.38Å; Y282-F297 HydrophobicContact CE1-CD1 4.41Å; Y282-F297 HydrophobicContact CE1-CE1 4.05Å; Y282-H298 AromaticContact CD1-NE2 3.98Å; Y282-H298 AromaticContact CD2-CE1 3.49Å; Y282-H298 VanDerWaalsContact CD2-CE1 3.49Å; Y282-H298 WeakPolarHBondContact CD2-CE1 3.32Å; Y282-H298 AromaticContact CD2-NE2 3.08Å; Y282-H298 WeakPolarHBondContact CD2-NE2 3.27Å; Y282-H298 AromaticContact CE2-NE2 3.46Å; Y282-H298 WeakPolarHBondContact CE2-NE2 3.18Å; Y282-H298 AromaticContact CG-CE1 3.97Å; Y282-H298 AromaticContact CG-NE2 3.4Å; Y282-V372 HydrophobicContact CD2-CG1 3.35Å; Y282-V372 HydrophobicContact CE2-CG1 3.97Å; Y282-V372 HydrophobicContact CG-CG1 4.34Å; Y282-R374 HydrophobicContact CE2-CG 4.41Å; Y282-R374 PolarHBondContact OH-NH1 2.83Å
283F81.4Confident87Confident68 Ų6859.9 Ų59.930%0.29833%0.331SS..EExtended strand (participates in β ladder)trans-127.6124.6165.4-162.4-80.8000109.3L291 V372 H373 R374F283-L291 HydrophobicContact CB-CD1 4.3Å; F283-L291 HydrophobicContact CD2-CD1 4.39Å; F283-V372 PolarHBondContact N-O 3.28Å; F283-H373 AromaticContact CD1-CD2 3.53Å; F283-H373 AromaticContact CD1-NE2 3.44Å; F283-H373 WeakPolarHBondContact CD1-NE2 3.38Å; F283-H373 AromaticContact CE1-NE2 3.88Å; F283-H373 CarbonylContact O-C 3.53Å; F283-H373 VanDerWaalsContact O-CA 3.26Å; F283-H373 WeakPolarHBondContact O-CA 3.45Å; F283-R374 PolarHBondContact O-N 3.13Å
284G84.8Confident86.7Confident4 Ų457.3 Ų57.34%0.04132%0.322CS..SBendtrans-167.9175.2-179.700000113.1E286 A287G284-E286 PolarHBondContact O-N 3.02Å; G284-A287 WeakPolarHBondContact O-CB 3.4Å; G284-A287 PolarHBondContact O-N 3.27Å
285P82.3Confident86.6Confident55 Ų5551.2 Ų51.236%0.35730%0.298SS..G310 helixtrans-54.1-38-177.4-24.132.4000113.1A287 C288 C376P285-A287 VanDerWaalsContact C-N 3.26Å; P285-A287 PolarHBondContact O-N 3.39Å; P285-C288 PolarHBondContact O-N 3.03Å; P285-C376 HydrophobicContact CG-CB 4.41Å; P285-C376 VanDerWaalsContact CG-SG 3.55Å
286E86.8Confident86.5Confident34 Ų3455.8 Ų55.816%0.15932%0.324CS..G310 helixtrans-72.2-19.5-178.3-55.580.5-176.700112.9Y282 G284 C288 F297 Y301 R374 P400Y282-E286 PolarHBondContact OH-OE2 3.47Å; G284-E286 PolarHBondContact O-N 3.02Å; E286-C288 PolarHBondContact O-N 3.38Å; E286-F297 HydrophobicContact CB-CE1 3.9Å; E286-F297 HydrophobicContact CB-CZ 3.75Å; E286-Y301 VanDerWaalsContact CB-OH 3.32Å; E286-Y301 WeakPolarHBondContact CB-OH 3.42Å; E286-Y301 WeakPolarHBondContact CG-OH 3.46Å; E286-R374 IonicContact OE1-NH1 3.21Å; E286-R374 IonicContact OE2-NH1 3.32Å; E286-P400 HydrophobicContact CG-CB 4.38Å
287A80.9Confident86.3Confident5 Ų558.6 Ų58.64%0.04134%0.336CS..G310 helixtrans-81.3-2.4174.700000112.8Y282 G284 P285 G289 N290 L292Y282-A287 HydrophobicContact CD1-CB 4.18Å; Y282-A287 HydrophobicContact CE1-CB 4.18Å; G284-A287 WeakPolarHBondContact O-CB 3.4Å; G284-A287 PolarHBondContact O-N 3.27Å; P285-A287 VanDerWaalsContact C-N 3.26Å; P285-A287 PolarHBondContact O-N 3.39Å; A287-G289 PolarHBondContact O-N 2.75Å; A287-N290 WeakPolarHBondContact CB-O 3.45Å; A287-N290 WeakPolarHBondContact O-CB 3.41Å; A287-N290 PolarHBondContact O-N 2.6Å; A287-N290 PolarHBondContact O-ND2 3.38Å; A287-L292 HydrophobicContact CB-CD1 3.81Å; A287-L292 HydrophobicContact CB-CD2 4.33Å; A287-L292 HydrophobicContact CB-CG 3.82Å
288C87.5Confident86.4Confident109 Ų10958.3 Ų58.374%0.73633%0.334SS*.THydrogen-bonded Turntrans50.841.4178.2-63.80000113.2P285 E286P285-C288 PolarHBondContact O-N 3.03Å; E286-C288 PolarHBondContact O-N 3.38Å
289G80Confident86.6Confident56 Ų5657.5 Ų57.558%0.57732%0.319SS*.THydrogen-bonded Turntrans84.43.7-179.900000115.5A287A287-G289 PolarHBondContact O-N 2.75Å
290N83.1Confident86.8Confident97 Ų9756.1 Ų56.152%0.51931%0.311SS..PPolyproline II helixtrans-94.4153176.3-58.1-76.7000111.7A287 L292A287-N290 WeakPolarHBondContact CB-O 3.45Å; A287-N290 WeakPolarHBondContact O-CB 3.41Å; A287-N290 PolarHBondContact O-N 2.6Å; A287-N290 PolarHBondContact O-ND2 3.38Å; N290-L292 HydrophobicContact CB-CD2 4.32Å
291L82.9Confident86.7Confident108 Ų10857.5 Ų57.557%0.56532%0.316SS*.PPolyproline II helixtrans-88125165.6-174.869.2000108.5F283F283-L291 HydrophobicContact CB-CD1 4.3Å; F283-L291 HydrophobicContact CD2-CD1 4.39Å
292L82.6Confident86.9Confident41 Ų4156.4 Ų56.422%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-102.9145.2177.1-50.1-177.9000110T281 Y282 A287 N290 F297T281-L292 CarbonylContact C-O 3.53Å; T281-L292 VanDerWaalsContact CA-O 3.23Å; T281-L292 WeakPolarHBondContact CA-O 3.38Å; Y282-L292 HydrophobicContact CD1-CD1 3.96Å; Y282-L292 HydrophobicContact CD1-CG 4.41Å; Y282-L292 PolarHBondContact N-O 3.43Å; Y282-L292 PolarHBondContact O-N 2.97Å; A287-L292 HydrophobicContact CB-CD1 3.81Å; A287-L292 HydrophobicContact CB-CD2 4.33Å; A287-L292 HydrophobicContact CB-CG 3.82Å; N290-L292 HydrophobicContact CB-CD2 4.32Å; L292-F297 HydrophobicContact CD1-CB 3.84Å; L292-F297 HydrophobicContact CD1-CD1 3.35Å; L292-F297 HydrophobicContact CD1-CD2 3.68Å; L292-F297 HydrophobicContact CD1-CE1 3.71Å; L292-F297 HydrophobicContact CD1-CE2 4.02Å; L292-F297 HydrophobicContact CD1-CG 3.33Å; L292-F297 HydrophobicContact CD1-CZ 4.03Å
293E87.2Confident87Confident152 Ų15261 Ų6171%0.7133%0.331SS*.EExtended strand (participates in β ladder)trans-113.7140.7174.8-170.9179.317600110
294G89Confident87.2Confident19 Ų1961.3 Ų61.320%0.19633%0.333CS..SBendtrans81.6174.8-178.300000114.2F280F280-G294 PolarHBondContact O-N 3.35Å
295A92.2Very high87.1Confident13 Ų1364.1 Ų64.111%0.10735%0.346CS..SBendtrans-97.3-0.5-178.100000113.7F269 L273 L276 F297 H298 K299F269-A295 HydrophobicContact CZ-CB 4.32Å; L273-A295 HydrophobicContact CD1-CB 3.95Å; L276-A295 HydrophobicContact CD1-CB 3.8Å; A295-F297 VanDerWaalsContact C-N 3.28Å; A295-F297 PolarHBondContact O-N 3.38Å; A295-H298 WeakPolarHBondContact O-CA 3.39Å; A295-H298 WeakPolarHBondContact O-CB 3.36Å; A295-H298 PolarHBondContact O-N 3.32Å; A295-K299 PolarHBondContact O-N 3.4Å
296D91.6Very high87.1Confident127 Ų12762.9 Ų62.968%0.67934%0.336SS*.Hα-helixtrans-62.2-36-175.9-73.2-25.1000112.4H298 K299 F300D296-H298 VanDerWaalsContact C-N 3.32Å; D296-H298 PolarHBondContact O-N 2.93Å; D296-K299 WeakPolarHBondContact O-CB 3.47Å; D296-K299 PolarHBondContact O-N 3.03Å; D296-F300 PolarHBondContact O-N 3.12Å
297F91.3Very high86.8Confident63 Ų6365.5 Ų65.528%0.27636%0.356SS..Hα-helixtrans-61-42173.1-177.2-106.7000111.9Y282 E286 L292 A295 F300 Y301Y282-F297 HydrophobicContact CD1-CD1 4.33Å; Y282-F297 HydrophobicContact CD1-CE1 4.38Å; Y282-F297 HydrophobicContact CE1-CD1 4.41Å; Y282-F297 HydrophobicContact CE1-CE1 4.05Å; E286-F297 HydrophobicContact CB-CE1 3.9Å; E286-F297 HydrophobicContact CB-CZ 3.75Å; L292-F297 HydrophobicContact CD1-CB 3.84Å; L292-F297 HydrophobicContact CD1-CD1 3.35Å; L292-F297 HydrophobicContact CD1-CD2 3.68Å; L292-F297 HydrophobicContact CD1-CE1 3.71Å; L292-F297 HydrophobicContact CD1-CE2 4.02Å; L292-F297 HydrophobicContact CD1-CG 3.33Å; L292-F297 HydrophobicContact CD1-CZ 4.03Å; A295-F297 VanDerWaalsContact C-N 3.28Å; A295-F297 PolarHBondContact O-N 3.38Å; F297-F300 WeakPolarHBondContact O-CB 3.31Å; F297-Y301 HydrophobicContact CD1-CE2 4.13Å; F297-Y301 AromaticContact CE1-CE2 3.6Å; F297-Y301 HydrophobicContact CE1-CE2 3.6Å; F297-Y301 HydrophobicContact CE2-CE2 4.33Å; F297-Y301 AromaticContact CZ-CE2 3.72Å; F297-Y301 HydrophobicContact CZ-CE2 3.72Å; F297-Y301 WeakPolarHBondContact O-CD2 3.48Å
298H92.3Very high86.6Confident3 Ų372.2 Ų72.21%0.01438%0.384CS..Hα-helixtrans-68.9-39.6175.9-62.1167.1000111.7Y272 F280 Y282 A295 D296 F300 Y301 F302Y272-H298 HydrophobicContact CE1-CB 4.16Å; Y272-H298 AromaticContact CE1-ND1 3.74Å; Y272-H298 AromaticContact CZ-ND1 3.8Å; Y272-H298 PolarHBondContact OH-CE1 2.96Å; Y272-H298 PolarHBondContact OH-ND1 3.48Å; F280-H298 AromaticContact CE1-CE1 3.29Å; F280-H298 WeakPolarHBondContact CE1-CE1 3.35Å; F280-H298 AromaticContact CE1-ND1 3.61Å; F280-H298 AromaticContact CZ-CE1 3.52Å; Y282-H298 AromaticContact CD1-NE2 3.98Å; Y282-H298 AromaticContact CD2-CE1 3.49Å; Y282-H298 VanDerWaalsContact CD2-CE1 3.49Å; Y282-H298 WeakPolarHBondContact CD2-CE1 3.32Å; Y282-H298 AromaticContact CD2-NE2 3.08Å; Y282-H298 WeakPolarHBondContact CD2-NE2 3.27Å; Y282-H298 AromaticContact CE2-NE2 3.46Å; Y282-H298 WeakPolarHBondContact CE2-NE2 3.18Å; Y282-H298 AromaticContact CG-CE1 3.97Å; Y282-H298 AromaticContact CG-NE2 3.4Å; A295-H298 WeakPolarHBondContact O-CA 3.39Å; A295-H298 WeakPolarHBondContact O-CB 3.36Å; A295-H298 PolarHBondContact O-N 3.32Å; D296-H298 VanDerWaalsContact C-N 3.32Å; D296-H298 PolarHBondContact O-N 2.93Å; H298-F300 PolarHBondContact O-N 3.07Å; H298-F300 VanDerWaalsContact O-N 3.17Å; H298-Y301 WeakPolarHBondContact O-CA 3.36Å; H298-Y301 WeakPolarHBondContact O-CB 3.31Å; H298-Y301 PolarHBondContact O-N 3.05Å; H298-F302 WeakPolarHBondContact O-CD2 3.3Å; H298-F302 PolarHBondContact O-N 3.46Å
299K92.7Very high86Confident76 Ų7668.6 Ų68.633%0.3336%0.361SS..Hα-helixtrans-51.3-40.6177.2-171.7176.4173.1178.60112F269 A295 D296 Y301 F302 E303F269-K299 HydrophobicContact CD1-CG 4.24Å; F269-K299 HydrophobicContact CE1-CB 4.05Å; F269-K299 HydrophobicContact CE1-CD 3.87Å; F269-K299 HydrophobicContact CE1-CG 3.76Å; F269-K299 HydrophobicContact CE2-CB 3.82Å; F269-K299 HydrophobicContact CE2-CG 4.31Å; F269-K299 HydrophobicContact CZ-CB 3.54Å; F269-K299 HydrophobicContact CZ-CD 4.13Å; F269-K299 HydrophobicContact CZ-CG 3.81Å; A295-K299 PolarHBondContact O-N 3.4Å; D296-K299 WeakPolarHBondContact O-CB 3.47Å; D296-K299 PolarHBondContact O-N 3.03Å; K299-Y301 VanDerWaalsContact C-N 3.29Å; K299-Y301 PolarHBondContact O-N 3.31Å; K299-F302 PolarHBondContact O-N 3.38Å; K299-F302 VanDerWaalsContact O-N 3.16Å; K299-E303 VanDerWaalsContact CE-CD 3.48Å; K299-E303 WeakPolarHBondContact CE-OE1 3.42Å; K299-E303 HydrophobicContact CG-CG 4.19Å; K299-E303 IonicContact NZ-OE1 3.37Å; K299-E303 WeakPolarHBondContact O-CB 3.33Å; K299-E303 WeakPolarHBondContact O-CG 3.19Å; K299-E303 PolarHBondContact O-N 2.71Å
300F91.2Very high85.5Confident108 Ų10869.5 Ų69.547%0.47436%0.355SS..Hα-helixtrans-54.3-42.9173.6175.7-97.1000112.7D296 F297 H298 Q304 I305D296-F300 PolarHBondContact O-N 3.12Å; F297-F300 WeakPolarHBondContact O-CB 3.31Å; H298-F300 PolarHBondContact O-N 3.07Å; H298-F300 VanDerWaalsContact O-N 3.17Å; F300-Q304 HydrophobicContact CD2-CB 4.12Å; F300-Q304 HydrophobicContact CD2-CG 3.8Å; F300-Q304 HydrophobicContact CE2-CB 3.88Å; F300-Q304 HydrophobicContact CE2-CG 3.79Å; F300-Q304 HydrophobicContact CZ-CB 4.13Å; F300-Q304 WeakPolarHBondContact O-CA 3.17Å; F300-Q304 WeakPolarHBondContact O-CB 3.37Å; F300-Q304 PolarHBondContact O-N 3.34Å; F300-I305 HydrophobicContact CD1-CG1 4.28Å; F300-I305 HydrophobicContact CE1-CD1 3.94Å; F300-I305 HydrophobicContact CE1-CG1 3.89Å; F300-I305 HydrophobicContact CZ-CD1 4.36Å
301Y88.9Confident84.8Confident31 Ų3165.3 Ų65.312%0.12233%0.332CS..Iπ-helixtrans-67.5-42.3177.1-71.1-81.9000112.7E286 F297 H298 K299 E303 I305 I306 P400 L401E286-Y301 VanDerWaalsContact CB-OH 3.32Å; E286-Y301 WeakPolarHBondContact CB-OH 3.42Å; E286-Y301 WeakPolarHBondContact CG-OH 3.46Å; F297-Y301 HydrophobicContact CD1-CE2 4.13Å; F297-Y301 AromaticContact CE1-CE2 3.6Å; F297-Y301 HydrophobicContact CE1-CE2 3.6Å; F297-Y301 HydrophobicContact CE2-CE2 4.33Å; F297-Y301 AromaticContact CZ-CE2 3.72Å; F297-Y301 HydrophobicContact CZ-CE2 3.72Å; F297-Y301 WeakPolarHBondContact O-CD2 3.48Å; H298-Y301 WeakPolarHBondContact O-CA 3.36Å; H298-Y301 WeakPolarHBondContact O-CB 3.31Å; H298-Y301 PolarHBondContact O-N 3.05Å; K299-Y301 VanDerWaalsContact C-N 3.29Å; K299-Y301 PolarHBondContact O-N 3.31Å; Y301-E303 VanDerWaalsContact C-N 3.34Å; Y301-E303 PolarHBondContact O-N 2.86Å; Y301-I305 HydrophobicContact CD1-CB 3.93Å; Y301-I305 HydrophobicContact CD1-CG1 3.65Å; Y301-I305 HydrophobicContact CD1-CG2 4.23Å; Y301-I305 HydrophobicContact CE1-CG1 4.15Å; Y301-I305 HydrophobicContact CG-CG1 4.39Å; Y301-I305 WeakPolarHBondContact O-CB 3.29Å; Y301-I305 PolarHBondContact O-N 2.95Å; Y301-I305 VanDerWaalsContact O-N 3.08Å; Y301-I306 PolarHBondContact O-N 3.44Å; Y301-P400 HydrophobicContact CD1-CB 3.44Å; Y301-P400 VanDerWaalsContact CD1-CB 3.44Å; Y301-P400 HydrophobicContact CD1-CG 3.22Å; Y301-P400 HydrophobicContact CE1-CB 3.11Å; Y301-P400 HydrophobicContact CE1-CG 3.36Å; Y301-P400 HydrophobicContact CG-CB 4.45Å; Y301-P400 HydrophobicContact CG-CG 4.33Å; Y301-L401 HydrophobicContact CG-CD1 4.21Å; Y301-L401 HydrophobicContact CG-CG 4.15Å
302F89.6Confident84Confident10 Ų1065.1 Ų65.14%0.04432%0.324CS..Iπ-helixtrans-64.5-36.2177.2-79.9-96.8000112.8A264 F269 Y272 H298 K299 I306 P307 L401A264-F302 HydrophobicContact CB-CZ 4.08Å; F269-F302 HydrophobicContact CB-CB 3.93Å; F269-F302 HydrophobicContact CB-CD1 3.68Å; F269-F302 HydrophobicContact CB-CE1 4.27Å; F269-F302 HydrophobicContact CB-CG 3.82Å; F269-F302 HydrophobicContact CD2-CB 4.05Å; F269-F302 HydrophobicContact CD2-CD1 4.2Å; F269-F302 AromaticContact CD2-CD2 3.56Å; F269-F302 HydrophobicContact CD2-CD2 3.56Å; F269-F302 AromaticContact CD2-CE2 3.95Å; F269-F302 HydrophobicContact CD2-CE2 3.95Å; F269-F302 AromaticContact CD2-CG 3.69Å; F269-F302 HydrophobicContact CD2-CG 3.69Å; F269-F302 HydrophobicContact CD2-CZ 4.41Å; F269-F302 HydrophobicContact CE2-CD2 4.28Å; F269-F302 HydrophobicContact CG-CB 4.23Å; F269-F302 HydrophobicContact CG-CD1 4.44Å; F269-F302 HydrophobicContact CG-CD2 4.46Å; F269-F302 HydrophobicContact CG-CG 4.15Å; Y272-F302 AromaticContact CD1-CE2 3.79Å; Y272-F302 HydrophobicContact CD1-CE2 3.79Å; Y272-F302 AromaticContact CD1-CZ 3.82Å; Y272-F302 HydrophobicContact CD1-CZ 3.82Å; Y272-F302 HydrophobicContact CD2-CE2 4.44Å; Y272-F302 AromaticContact CD2-CZ 3.9Å; Y272-F302 HydrophobicContact CD2-CZ 3.9Å; Y272-F302 HydrophobicContact CE1-CE2 4.02Å; Y272-F302 HydrophobicContact CE1-CZ 4.38Å; Y272-F302 HydrophobicContact CE2-CZ 4.46Å; Y272-F302 HydrophobicContact CG-CE1 4.46Å; Y272-F302 HydrophobicContact CG-CE2 4.01Å; Y272-F302 AromaticContact CG-CZ 3.55Å; Y272-F302 HydrophobicContact CG-CZ 3.55Å; H298-F302 WeakPolarHBondContact O-CD2 3.3Å; H298-F302 PolarHBondContact O-N 3.46Å; K299-F302 PolarHBondContact O-N 3.38Å; K299-F302 VanDerWaalsContact O-N 3.16Å; F302-I306 HydrophobicContact CD1-CD1 4.25Å; F302-I306 HydrophobicContact CG-CD1 4.37Å; F302-P307 WeakPolarHBondContact O-CD 3.27Å; F302-P307 WeakPolarHBondContact O-CG 3.46Å; F302-L401 HydrophobicContact CD2-CD1 3.69Å; F302-L401 HydrophobicContact CE2-CD1 3.55Å; F302-L401 HydrophobicContact CZ-CD1 4.29Å
303E89.2Confident83.3Confident103 Ų10363.5 Ų63.548%0.48132%0.317SS..Iπ-helixtrans-89.9-36.9-177.1-68.3-176.3164.600113.3K299 Y301K299-E303 VanDerWaalsContact CE-CD 3.48Å; K299-E303 WeakPolarHBondContact CE-OE1 3.42Å; K299-E303 HydrophobicContact CG-CG 4.19Å; K299-E303 IonicContact NZ-OE1 3.37Å; K299-E303 WeakPolarHBondContact O-CB 3.33Å; K299-E303 WeakPolarHBondContact O-CG 3.19Å; K299-E303 PolarHBondContact O-N 2.71Å; Y301-E303 VanDerWaalsContact C-N 3.34Å; Y301-E303 PolarHBondContact O-N 2.86Å
304Q85.7Confident82.8Confident74 Ų7456.7 Ų56.735%0.34629%0.285SS..Iπ-helixtrans-110.5-27.6-168.1-57.4-60.2-30.600114.1F300 K308F300-Q304 HydrophobicContact CD2-CB 4.12Å; F300-Q304 HydrophobicContact CD2-CG 3.8Å; F300-Q304 HydrophobicContact CE2-CB 3.88Å; F300-Q304 HydrophobicContact CE2-CG 3.79Å; F300-Q304 HydrophobicContact CZ-CB 4.13Å; F300-Q304 WeakPolarHBondContact O-CA 3.17Å; F300-Q304 WeakPolarHBondContact O-CB 3.37Å; F300-Q304 PolarHBondContact O-N 3.34Å; Q304-K308 WeakPolarHBondContact O-CD 3.4Å; Q304-K308 WeakPolarHBondContact O-CE 3.4Å; Q304-K308 WeakPolarHBondContact O-CG 3.34Å
305I83.3Confident82.4Confident63 Ų6357.6 Ų57.632%0.32328%0.284SS..Iπ-helixtrans-103.9-56.6-172.7-54.7-61.7000111.5F300 Y301 K308 S309 P400F300-I305 HydrophobicContact CD1-CG1 4.28Å; F300-I305 HydrophobicContact CE1-CD1 3.94Å; F300-I305 HydrophobicContact CE1-CG1 3.89Å; F300-I305 HydrophobicContact CZ-CD1 4.36Å; Y301-I305 HydrophobicContact CD1-CB 3.93Å; Y301-I305 HydrophobicContact CD1-CG1 3.65Å; Y301-I305 HydrophobicContact CD1-CG2 4.23Å; Y301-I305 HydrophobicContact CE1-CG1 4.15Å; Y301-I305 HydrophobicContact CG-CG1 4.39Å; Y301-I305 WeakPolarHBondContact O-CB 3.29Å; Y301-I305 PolarHBondContact O-N 2.95Å; Y301-I305 VanDerWaalsContact O-N 3.08Å; I305-K308 CarbonylContact O-C 3.57Å; I305-K308 PolarHBondContact O-N 2.94Å; I305-K308 VanDerWaalsContact O-N 3.16Å; I305-S309 PolarHBondContact O-N 3.26Å; I305-P400 HydrophobicContact CG2-CG 3.89Å
306I82Confident82Confident28 Ų2857.8 Ų57.814%0.14428%0.284CS..G310 helixtrans-56.6-47.9-178.9-66.8176000111.5Y301 F302 K308 S309 Y399 L401Y301-I306 PolarHBondContact O-N 3.44Å; F302-I306 HydrophobicContact CD1-CD1 4.25Å; F302-I306 HydrophobicContact CG-CD1 4.37Å; I306-K308 VanDerWaalsContact C-N 3.25Å; I306-K308 PolarHBondContact O-N 3.09Å; I306-S309 WeakPolarHBondContact O-CB 3.32Å; I306-S309 PolarHBondContact O-N 2.76Å; I306-S309 VanDerWaalsContact O-N 3.09Å; I306-Y399 HydrophobicContact CG1-CE1 4.49Å; I306-L401 HydrophobicContact CD1-CD1 3.75Å
307P78.9Confident81.7Confident90 Ų9053.4 Ų53.458%0.58426%0.263SS*.G310 helixtrans-68-24.7-178.2-22.736.7000113.6F302F302-P307 WeakPolarHBondContact O-CD 3.27Å; F302-P307 WeakPolarHBondContact O-CG 3.46Å
308K78.2Confident81.5Confident145 Ų14552 Ų5263%0.6326%0.258SS*.G310 helixtrans-92.9-4.7177.2-60.9-176-1641530112.5Q304 I305 I306 V310Q304-K308 WeakPolarHBondContact O-CD 3.4Å; Q304-K308 WeakPolarHBondContact O-CE 3.4Å; Q304-K308 WeakPolarHBondContact O-CG 3.34Å; I305-K308 CarbonylContact O-C 3.57Å; I305-K308 PolarHBondContact O-N 2.94Å; I305-K308 VanDerWaalsContact O-N 3.16Å; I306-K308 VanDerWaalsContact C-N 3.25Å; I306-K308 PolarHBondContact O-N 3.09Å; K308-V310 PolarHBondContact O-N 2.88Å
309S73.9Confident81.3Confident34 Ų3455.3 Ų55.324%0.23828%0.276CS..  trans-67.2127.6-178.2-173.60000110.4I305 I306 V311 Y399I305-S309 PolarHBondContact O-N 3.26Å; I306-S309 WeakPolarHBondContact O-CB 3.32Å; I306-S309 PolarHBondContact O-N 2.76Å; I306-S309 VanDerWaalsContact O-N 3.09Å; S309-V311 PolarHBondContact O-N 2.81Å; S309-V311 VanDerWaalsContact OG-CB 3.3Å; S309-V311 WeakPolarHBondContact OG-CB 3.34Å; S309-V311 PolarHBondContact OG-N 3.21Å; S309-Y399 WeakPolarHBondContact OG-CE2 2.8Å; S309-Y399 PolarHBondContact OG-OH 3.25Å
310V69Low80.9Confident74 Ų7458 Ų5845%0.44829%0.294SS..  trans-74.5-12.1169.1-68.10000112.3K308 R312 K344 F397K308-V310 PolarHBondContact O-N 2.88Å; V310-R312 WeakPolarHBondContact O-CG 3.31Å; V310-R312 PolarHBondContact O-N 2.79Å; V310-R312 VanDerWaalsContact O-N 3.13Å; V310-K344 HydrophobicContact CB-CB 4.19Å; V310-K344 HydrophobicContact CG2-CB 3.72Å; V310-F397 HydrophobicContact CG2-CE1 4.12Å; V310-F397 HydrophobicContact CG2-CZ 4.27Å
311V69.7Low80.9Confident9 Ų955.3 Ų55.36%0.05529%0.287CS..  trans-70.8108.3174.4175.20000107.7S309 A313 I314 F341 L342 F397 Y399S309-V311 PolarHBondContact O-N 2.81Å; S309-V311 VanDerWaalsContact OG-CB 3.3Å; S309-V311 WeakPolarHBondContact OG-CB 3.34Å; S309-V311 PolarHBondContact OG-N 3.21Å; V311-A313 WeakPolarHBondContact CG1-O 3.49Å; V311-I314 HydrophobicContact CG1-CG1 3.75Å; V311-F341 HydrophobicContact CG1-CB 3.51Å; V311-F341 HydrophobicContact CG1-CD2 4.01Å; V311-F341 HydrophobicContact CG1-CG 4.1Å; V311-F341 HydrophobicContact CG2-CD2 3.77Å; V311-F341 HydrophobicContact CG2-CE2 4.29Å; V311-L342 WeakPolarHBondContact CA-O 3.29Å; V311-F397 HydrophobicContact CG2-CD1 4.47Å; V311-Y399 HydrophobicContact CB-CD2 4.23Å; V311-Y399 HydrophobicContact CB-CE2 3.62Å; V311-Y399 HydrophobicContact CG1-CD2 4.23Å; V311-Y399 HydrophobicContact CG1-CE2 3.84Å; V311-Y399 HydrophobicContact CG2-CD2 3.99Å; V311-Y399 HydrophobicContact CG2-CE2 3.77Å
312R64.9Low80.9Confident105 Ų10557.3 Ų57.340%0.39630%0.302SS..  trans-81.3-27-171.7-59-177.8178.8163.7-2.4111.8F201 S202 K205 V310F201-R312 CarbonylContact C-O 3.57Å; F201-R312 WeakPolarHBondContact CA-O 3.28Å; F201-R312 WeakPolarHBondContact CB-O 3.44Å; F201-R312 CarbonylContact O-C 3.6Å; F201-R312 WeakPolarHBondContact O-CB 3.49Å; S202-R312 PolarHBondContact N-O 3.46Å; K205-R312 PolarHBondContact O-NH1 3.15Å; V310-R312 WeakPolarHBondContact O-CG 3.31Å; V310-R312 PolarHBondContact O-N 2.79Å; V310-R312 VanDerWaalsContact O-N 3.13Å
313A68.9Low81Confident6 Ų657.3 Ų57.35%0.0530%0.304CS..  trans-144.6152.1175.200000110.6T198 R199 S202 V311 F341T198-A313 WeakPolarHBondContact O-CB 3.36Å; R199-A313 WeakPolarHBondContact O-CB 3.5Å; S202-A313 WeakPolarHBondContact OG-CB 3.2Å; V311-A313 WeakPolarHBondContact CG1-O 3.49Å; A313-F341 WeakPolarHBondContact O-CA 3.08Å; A313-F341 WeakPolarHBondContact O-CB 3.49Å
314I76.5Confident80.7Confident9 Ų957.8 Ų57.85%0.04631%0.305CS..EExtended strand (participates in β ladder)trans-137.1110.6-177.5-55.4147.3000105.5T198 V311 T339 Q340 F341 Y399T198-I314 CarbonylContact C-O 3.48Å; T198-I314 VanDerWaalsContact C-O 3.23Å; T198-I314 WeakPolarHBondContact CB-O 3.39Å; T198-I314 CarbonylContact O-C 3.59Å; T198-I314 PolarHBondContact O-N 2.85Å; V311-I314 HydrophobicContact CG1-CG1 3.75Å; I314-T339 HydrophobicContact CG2-CG2 3.43Å; I314-T339 VanDerWaalsContact CG2-CG2 3.43Å; I314-Q340 CarbonylContact C-O 3.52Å; I314-Q340 WeakPolarHBondContact CA-O 3.46Å; I314-F341 HydrophobicContact CG1-CB 4.44Å; I314-Y399 HydrophobicContact CD1-CD1 3.96Å; I314-Y399 HydrophobicContact CD1-CE1 3.23Å; I314-Y399 HydrophobicContact CD1-CE2 3.89Å; I314-Y399 VanDerWaalsContact CD1-OH 3.3Å; I314-Y399 WeakPolarHBondContact CD1-OH 3.12Å; I314-Y399 HydrophobicContact CG1-CD1 4.4Å; I314-Y399 HydrophobicContact CG1-CD2 4.44Å; I314-Y399 HydrophobicContact CG1-CE1 4.06Å; I314-Y399 HydrophobicContact CG1-CE2 4.13Å
315H79.7Confident80.8Confident38 Ų3856.6 Ų56.618%0.17630%0.301CS..EExtended strand (participates in β ladder)trans-89.5121.2167.5-170.8-74.4000109R199 S317 T339 Q340R199-H315 PolarHBondContact NH1-CD2 2.84Å; R199-H315 VanDerWaalsContact NH1-CD2 3.26Å; R199-H315 PolarHBondContact NH1-NE2 2.83Å; H315-S317 PolarHBondContact CE1-OG 2.82Å; H315-S317 PolarHBondContact ND1-OG 3.49Å; H315-T339 CarbonylContact O-C 3.58Å; H315-T339 WeakPolarHBondContact O-CA 3.41Å; H315-Q340 HydrophobicContact CB-CB 4.25Å; H315-Q340 PolarHBondContact N-O 2.84Å; H315-Q340 PolarHBondContact O-N 2.84Å
316T84Confident80.6Confident17 Ų1758.5 Ų58.510%0.10431%0.31CS..EExtended strand (participates in β ladder)trans-106.6137.7174.2-65.10000110.3L261 R337 L338L261-T316 HydrophobicContact CB-CG2 4.42Å; L261-T316 HydrophobicContact CD1-CG2 4.05Å; T316-R337 HydrophobicContact CG2-CG 3.68Å; T316-R337 PolarHBondContact OG1-NH2 3.2Å; T316-L338 CarbonylContact C-O 3.53Å; T316-L338 WeakPolarHBondContact CA-O 3.42Å
317S84.9Confident80.6Confident35 Ų3560 Ų6025%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-134.9140.7172.4-59.90000110.9H315 R337 L338H315-S317 PolarHBondContact CE1-OG 2.82Å; H315-S317 PolarHBondContact ND1-OG 3.49Å; S317-R337 WeakPolarHBondContact O-CA 3.26Å; S317-L338 PolarHBondContact N-O 3.34Å; S317-L338 PolarHBondContact O-N 3.31Å
318I88.8Confident80.8Confident33 Ų3362.6 Ų62.617%0.16934%0.337CS..EExtended strand (participates in β ladder)trans-95.8125.2173.1-61.2180000107.6T257 E258 L261 P321 Y335T257-I318 HydrophobicContact CG2-CD1 3.81Å; E258-I318 HydrophobicContact CG-CD1 3.83Å; L261-I318 HydrophobicContact CD1-CD1 3.78Å; L261-I318 HydrophobicContact CD1-CG1 3.76Å; I318-P321 HydrophobicContact CG2-CB 3.97Å; I318-P321 HydrophobicContact CG2-CG 4.26Å; I318-Y335 HydrophobicContact CB-CD2 4.35Å; I318-Y335 HydrophobicContact CG1-CD2 4.11Å; I318-Y335 HydrophobicContact CG1-CE2 4.21Å; I318-Y335 HydrophobicContact CG2-CD2 3.74Å; I318-Y335 HydrophobicContact CG2-CG 3.74Å
319L87.1Confident81.3Confident73 Ų7359.2 Ų59.238%0.38233%0.325SS..EExtended strand (participates in β ladder)trans-111.6139.9175.8-54.1178.4000109.7T336 L338L319-T336 PolarHBondContact N-O 2.83Å; L319-T336 PolarHBondContact O-N 3.24Å; L319-L338 HydrophobicContact CD1-CB 4.32Å
320N85.1Confident81.9Confident133 Ų13358.8 Ų58.871%0.71132%0.324SS*.EExtended strand (participates in β ladder)trans47.351.8174.9-54.3-33.8000114.6T322N320-T322 PolarHBondContact O-N 2.93Å
321P91.3Very high83Confident51 Ų5155.2 Ų55.233%0.33130%0.302SS..EExtended strand (participates in β ladder)trans-62.9123.817927.8-33.6000110.9I254 I318 I333I254-P321 HydrophobicContact CD1-CB 4.32Å; I254-P321 HydrophobicContact CD1-CG 4.1Å; I254-P321 HydrophobicContact CG1-CB 4.25Å; I254-P321 HydrophobicContact CG1-CG 4.46Å; I318-P321 HydrophobicContact CG2-CB 3.97Å; I318-P321 HydrophobicContact CG2-CG 4.26Å; P321-I333 HydrophobicContact CB-CD1 3.99Å; P321-I333 HydrophobicContact CB-CG1 4.4Å
322T87.4Confident83.7Confident73 Ų7356 Ų5645%0.44831%0.307SS..EExtended strand (participates in β ladder)trans-111115.8174.2-57.10000108.5N320 I333 A334N320-T322 PolarHBondContact O-N 2.93Å; T322-I333 WeakPolarHBondContact O-CA 3.17Å; T322-A334 PolarHBondContact N-O 3Å; T322-A334 PolarHBondContact O-N 3.03Å
323V91.7Very high85Confident11 Ų1151 Ų517%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-107.8124-178.6-175.90000110.5K250 I253 I254 L325 C332 I333K250-V323 HydrophobicContact CB-CB 4.12Å; K250-V323 HydrophobicContact CB-CG1 4.25Å; K250-V323 HydrophobicContact CB-CG2 4.45Å; K250-V323 HydrophobicContact CD-CB 4.36Å; K250-V323 WeakPolarHBondContact CE-O 3.48Å; K250-V323 HydrophobicContact CG-CB 3.9Å; K250-V323 HydrophobicContact CG-CG1 3.94Å; I253-V323 HydrophobicContact CB-CG1 4.04Å; I253-V323 HydrophobicContact CB-CG2 4.46Å; I253-V323 HydrophobicContact CG1-CG1 4.13Å; I253-V323 HydrophobicContact CG2-CG1 4.11Å; I253-V323 HydrophobicContact CG2-CG2 4.38Å; I254-V323 HydrophobicContact CD1-CG2 4.3Å; I254-V323 HydrophobicContact CG1-CG2 3.89Å; V323-L325 HydrophobicContact CG1-CD2 4.11Å; V323-C332 CarbonylContact C-O 3.54Å; V323-C332 WeakPolarHBondContact CA-O 3.36Å; V323-I333 HydrophobicContact CG2-CB 4.19Å; V323-I333 HydrophobicContact CG2-CD1 3.91Å; V323-I333 HydrophobicContact CG2-CG1 3.8Å
324H83.8Confident85.9Confident112 Ų11252.3 Ų52.352%0.51930%0.3SS..EExtended strand (participates in β ladder)trans-107.5115.7171.3-63.8-76.5000109.7A331 C332H324-A331 CarbonylContact O-C 3.56Å; H324-A331 VanDerWaalsContact O-CA 3.31Å; H324-A331 WeakPolarHBondContact O-CA 3.44Å; H324-C332 HydrophobicContact CB-CB 4.47Å; H324-C332 PolarHBondContact N-O 3.31Å; H324-C332 PolarHBondContact O-N 3.06Å
325L87.3Confident86.6Confident49 Ų4952.3 Ų52.326%0.25730%0.299SS..EExtended strand (participates in β ladder)trans-82.2133.8172.8-57.2-179.9000109.2I246 K249 K250 V323 A331I246-L325 HydrophobicContact CB-CD1 4.47Å; I246-L325 HydrophobicContact CG2-CD1 3.94Å; K249-L325 HydrophobicContact CB-CD1 3.76Å; K249-L325 HydrophobicContact CB-CD2 4.19Å; K249-L325 HydrophobicContact CD-CD1 4.18Å; K250-L325 HydrophobicContact CG-CD1 4.41Å; K250-L325 HydrophobicContact CG-CG 4.34Å; V323-L325 HydrophobicContact CG1-CD2 4.11Å; L325-A331 HydrophobicContact CD2-CB 3.89Å
326M80.3Confident87Confident104 Ų10451.8 Ų51.851%0.51230%0.299SS..  trans-120.462.8-178.9-63.1-178.6-66.300109.1A330 C332 V358M326-A330 HydrophobicContact CB-CB 4.15Å; M326-A330 HydrophobicContact CE-CB 4.42Å; M326-A330 PolarHBondContact N-O 3.18Å; M326-C332 HydrophobicContact CE-CB 3.95Å; M326-V358 HydrophobicContact CE-CG1 4.21Å
327G80.4Confident87.3Confident59 Ų5951 Ų5161%0.60829%0.294SS*.SBendtrans92.1-161.1-17100000112.8
328E83.6Confident87.5Confident145 Ų14551.1 Ų51.168%0.67829%0.291SS*.SBendtrans-80.8-32.4-175.2-62.6-169.216000113.2
329D88.7Confident87.4Confident74 Ų7449.7 Ų49.740%0.39628%0.284SS..SBendtrans-115.88-168.9-64.4-42.3000113.8V360 R361 W367D329-V360 CarbonylContact O-C 3.58Å; D329-V360 VanDerWaalsContact O-CA 3.25Å; D329-V360 WeakPolarHBondContact O-CA 3.4Å; D329-R361 HydrophobicContact CB-CB 4.02Å; D329-R361 PolarHBondContact O-N 2.61Å; D329-W367 WeakPolarHBondContact O-CZ3 3.48Å
330A87.2Confident87.4Confident24 Ų2449.8 Ų49.820%0.19828%0.283CS..EExtended strand (participates in β ladder)trans-136.8142.5177.400000112M326 W359 V360M326-A330 HydrophobicContact CB-CB 4.15Å; M326-A330 HydrophobicContact CE-CB 4.42Å; M326-A330 PolarHBondContact N-O 3.18Å; A330-W359 WeakPolarHBondContact CA-O 3.4Å; A330-V360 HydrophobicContact CB-CG2 4.5Å
331A91.2Very high87.2Confident0 Ų044 Ų440%025%0.251CS..EExtended strand (participates in β ladder)trans-148.7150.8176.200000111.2I253 H324 L325 W359 W367I253-A331 HydrophobicContact CD1-CB 3.55Å; I253-A331 HydrophobicContact CG1-CB 3.59Å; I253-A331 HydrophobicContact CG2-CB 4.46Å; H324-A331 CarbonylContact O-C 3.56Å; H324-A331 VanDerWaalsContact O-CA 3.31Å; H324-A331 WeakPolarHBondContact O-CA 3.44Å; L325-A331 HydrophobicContact CD2-CB 3.89Å; A331-W359 PolarHBondContact N-O 3.38Å; A331-W359 PolarHBondContact O-N 2.83Å; A331-W367 HydrophobicContact CB-CH2 4.41Å; A331-W367 HydrophobicContact CB-CZ3 4.38Å
332C84.5Confident86.7Confident24 Ų2443.7 Ų43.716%0.16225%0.246CC..EExtended strand (participates in β ladder)trans-117.8136.4170.7-179.70000108.5V323 H324 M326 T356 R357V323-C332 CarbonylContact C-O 3.54Å; V323-C332 WeakPolarHBondContact CA-O 3.36Å; H324-C332 HydrophobicContact CB-CB 4.47Å; H324-C332 PolarHBondContact N-O 3.31Å; H324-C332 PolarHBondContact O-N 3.06Å; M326-C332 HydrophobicContact CE-CB 3.95Å; C332-T356 VanDerWaalsContact SG-CG2 3.51Å; C332-R357 CarbonylContact C-O 3.54Å; C332-R357 WeakPolarHBondContact CA-O 3.47Å
333I93.3Very high86.3Confident0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-123.4129.3172.2-173.5177.6000109.1I253 I254 P321 T322 V323 Y335 T356 R357I253-I333 HydrophobicContact CG2-CB 3.87Å; I253-I333 HydrophobicContact CG2-CD1 4.36Å; I253-I333 HydrophobicContact CG2-CG2 3.98Å; I254-I333 HydrophobicContact CG1-CD1 4Å; P321-I333 HydrophobicContact CB-CD1 3.99Å; P321-I333 HydrophobicContact CB-CG1 4.4Å; T322-I333 WeakPolarHBondContact O-CA 3.17Å; V323-I333 HydrophobicContact CG2-CB 4.19Å; V323-I333 HydrophobicContact CG2-CD1 3.91Å; V323-I333 HydrophobicContact CG2-CG1 3.8Å; I333-Y335 HydrophobicContact CD1-CD1 4.23Å; I333-Y335 HydrophobicContact CG1-CD1 4.02Å; I333-Y335 HydrophobicContact CG2-CD1 4.4Å; I333-Y335 HydrophobicContact CG2-CE1 4.29Å; I333-T356 CarbonylContact O-C 3.55Å; I333-T356 WeakPolarHBondContact O-CA 3.45Å; I333-R357 HydrophobicContact CG2-CB 3.85Å; I333-R357 PolarHBondContact N-O 3.1Å; I333-R357 PolarHBondContact O-N 3.18Å
334A87.5Confident85.6Confident34 Ų3448.2 Ų48.228%0.28126%0.261SS..EExtended strand (participates in β ladder)trans-114.5135.4170.900000109T322 E355T322-A334 PolarHBondContact N-O 3Å; T322-A334 PolarHBondContact O-N 3.03Å; A334-E355 WeakPolarHBondContact CA-O 3.44Å
335Y91.8Very high85.6Confident10 Ų1047.6 Ų47.64%0.03927%0.267CS..EExtended strand (participates in β ladder)trans-156.9163.6-17859.3-85.1000111.7T257 L261 I318 I333 R337 E355 R357T257-Y335 HydrophobicContact CG2-CD1 4.41Å; T257-Y335 HydrophobicContact CG2-CE1 3.6Å; L261-Y335 HydrophobicContact CD1-CE2 4.02Å; I318-Y335 HydrophobicContact CB-CD2 4.35Å; I318-Y335 HydrophobicContact CG1-CD2 4.11Å; I318-Y335 HydrophobicContact CG1-CE2 4.21Å; I318-Y335 HydrophobicContact CG2-CD2 3.74Å; I318-Y335 HydrophobicContact CG2-CG 3.74Å; I333-Y335 HydrophobicContact CD1-CD1 4.23Å; I333-Y335 HydrophobicContact CG1-CD1 4.02Å; I333-Y335 HydrophobicContact CG2-CD1 4.4Å; I333-Y335 HydrophobicContact CG2-CE1 4.29Å; Y335-R337 HydrophobicContact CD2-CB 4.29Å; Y335-R337 HydrophobicContact CE2-CB 4.01Å; Y335-E355 HydrophobicContact CD2-CB 4.38Å; Y335-E355 HydrophobicContact CE1-CB 4.03Å; Y335-E355 HydrophobicContact CE2-CB 3.79Å; Y335-E355 HydrophobicContact CE2-CG 4.11Å; Y335-E355 PolarHBondContact N-O 3.49Å; Y335-E355 PolarHBondContact O-N 3.5Å; Y335-E355 PolarHBondContact OH-OE2 2.97Å; Y335-R357 HydrophobicContact CE1-CG 4.41Å; Y335-R357 PolarHBondContact OH-NE 3.09Å
336T87.2Confident85.3Confident27 Ų2747.3 Ų47.317%0.16628%0.277CS..EExtended strand (participates in β ladder)trans-97.7121.9168.2-59.10000108.8L319 Q352 T353L319-T336 PolarHBondContact N-O 2.83Å; L319-T336 PolarHBondContact O-N 3.24Å; T336-Q352 HydrophobicContact CG2-CG 3.36Å; T336-Q352 VanDerWaalsContact CG2-NE2 3.26Å; T336-T353 CarbonylContact C-O 3.53Å
337R90.6Very high85.4Confident1 Ų147.7 Ų47.70%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-91.7127.3171.9-172.1-179.7170.4-175.9-6.9110.1T316 S317 Y335 T339 Q352 T353 E355 L401T316-R337 HydrophobicContact CG2-CG 3.68Å; T316-R337 PolarHBondContact OG1-NH2 3.2Å; S317-R337 WeakPolarHBondContact O-CA 3.26Å; Y335-R337 HydrophobicContact CD2-CB 4.29Å; Y335-R337 HydrophobicContact CE2-CB 4.01Å; R337-T339 PolarHBondContact NE-OG1 3.16Å; R337-Q352 WeakPolarHBondContact O-CA 3.33Å; R337-T353 PolarHBondContact N-O 3.31Å; R337-T353 PolarHBondContact O-N 3Å; R337-E355 HydrophobicContact CB-CG 4.29Å; R337-E355 VanDerWaalsContact CD-OE1 3.27Å; R337-E355 WeakPolarHBondContact CD-OE1 3.36Å; R337-E355 IonicContact NH1-OE1 3.8Å; R337-E355 PolarHBondContact NH1-OE1 2.79Å; R337-L401 VanDerWaalsContact NH1-C 3.34Å; R337-L401 PolarHBondContact NH1-O 3.49Å; R337-L401 PolarHBondContact NH1-OXT 2.83Å; R337-L401 PolarHBondContact NH2-O 3.08Å
338L88.8Confident85.6Confident36 Ų3649.6 Ų49.619%0.18828%0.28CS..EExtended strand (participates in β ladder)trans-104120.5169.5-162.573.7000109T316 S317 L319 Q340 T350 Q352T316-L338 CarbonylContact C-O 3.53Å; T316-L338 WeakPolarHBondContact CA-O 3.42Å; S317-L338 PolarHBondContact N-O 3.34Å; S317-L338 PolarHBondContact O-N 3.31Å; L319-L338 HydrophobicContact CD1-CB 4.32Å; L338-Q340 HydrophobicContact CD2-CG 4.32Å; L338-Q340 HydrophobicContact CG-CG 4.38Å; L338-T350 HydrophobicContact CD1-CG2 3.31Å; L338-T350 HydrophobicContact CD2-CG2 4.16Å; L338-T350 HydrophobicContact CG-CG2 3.72Å; L338-Q352 HydrophobicContact CD1-CB 4.47Å
339T86.9Confident85.7Confident3 Ų346.4 Ų46.42%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-115.3111.6179.3-57.60000108.7I314 H315 R337 F341 T350 Q351I314-T339 HydrophobicContact CG2-CG2 3.43Å; I314-T339 VanDerWaalsContact CG2-CG2 3.43Å; H315-T339 CarbonylContact O-C 3.58Å; H315-T339 WeakPolarHBondContact O-CA 3.41Å; R337-T339 PolarHBondContact NE-OG1 3.16Å; T339-F341 HydrophobicContact CG2-CD1 4.33Å; T339-T350 WeakPolarHBondContact O-CA 3.47Å; T339-Q351 PolarHBondContact N-O 2.73Å; T339-Q351 PolarHBondContact O-N 2.8Å
340Q86.2Confident85.6Confident76 Ų7646.9 Ų46.936%0.35527%0.271SS..EExtended strand (participates in β ladder)trans-107.7130.8179.1-47.9-176.3-7000109.7I314 H315 L338 H349 T350I314-Q340 CarbonylContact C-O 3.52Å; I314-Q340 WeakPolarHBondContact CA-O 3.46Å; H315-Q340 HydrophobicContact CB-CB 4.25Å; H315-Q340 PolarHBondContact N-O 2.84Å; H315-Q340 PolarHBondContact O-N 2.84Å; L338-Q340 HydrophobicContact CD2-CG 4.32Å; L338-Q340 HydrophobicContact CG-CG 4.38Å; Q340-H349 VanDerWaalsContact CA-O 3.28Å; Q340-H349 WeakPolarHBondContact CA-O 3.36Å; Q340-T350 HydrophobicContact CG-CG2 4.21Å; Q340-T350 PolarHBondContact NE2-OG1 2.78Å
341F81.8Confident85.6Confident10 Ų1046.8 Ų46.84%0.04427%0.266CS..EExtended strand (participates in β ladder)trans-149.7160.4-175.364.6-91.2000111.9V311 A313 I314 T339 H349 Q351 F397V311-F341 HydrophobicContact CG1-CB 3.51Å; V311-F341 HydrophobicContact CG1-CD2 4.01Å; V311-F341 HydrophobicContact CG1-CG 4.1Å; V311-F341 HydrophobicContact CG2-CD2 3.77Å; V311-F341 HydrophobicContact CG2-CE2 4.29Å; A313-F341 WeakPolarHBondContact O-CA 3.08Å; A313-F341 WeakPolarHBondContact O-CB 3.49Å; I314-F341 HydrophobicContact CG1-CB 4.44Å; T339-F341 HydrophobicContact CG2-CD1 4.33Å; F341-H349 HydrophobicContact CD1-CB 4.35Å; F341-H349 HydrophobicContact CD2-CB 4.22Å; F341-H349 HydrophobicContact CE1-CB 3.93Å; F341-H349 HydrophobicContact CE2-CB 3.78Å; F341-H349 HydrophobicContact CG-CB 4.48Å; F341-H349 HydrophobicContact CZ-CB 3.62Å; F341-H349 PolarHBondContact N-O 2.82Å; F341-H349 PolarHBondContact O-N 3.49Å; F341-Q351 HydrophobicContact CE1-CB 4.3Å; F341-F397 HydrophobicContact CE2-CB 4.34Å; F341-F397 HydrophobicContact CZ-CB 4.34Å; F341-F397 WeakPolarHBondContact CZ-O 3.15Å
342L80.8Confident85.3Confident45 Ų4550.8 Ų50.824%0.23629%0.285CS..EExtended strand (participates in β ladder)trans-96.5130.6171.2-58.8-176.3000109V311 M347 P348V311-L342 WeakPolarHBondContact CA-O 3.29Å; L342-M347 WeakPolarHBondContact CA-O 3.32Å; L342-P348 HydrophobicContact CD2-CB 3.93Å
343D78.3Confident85.6Confident29 Ų2949.7 Ų49.716%0.15528%0.277CS..  trans-73.5-177.7170.270.515.4000112.1C345 G346 M347 H349D343-C345 PolarHBondContact O-N 2.9Å; D343-C345 VanDerWaalsContact O-N 3.15Å; D343-C345 VanDerWaalsContact OD1-CA 3.3Å; D343-C345 WeakPolarHBondContact OD1-CA 3.44Å; D343-C345 WeakPolarHBondContact OD1-CB 3.45Å; D343-C345 PolarHBondContact OD1-N 2.81Å; D343-G346 PolarHBondContact O-N 2.91Å; D343-G346 PolarHBondContact OD1-N 2.92Å; D343-G346 VanDerWaalsContact OD1-N 3.12Å; D343-M347 PolarHBondContact N-O 2.87Å; D343-M347 PolarHBondContact OD1-N 2.86Å; D343-H349 IonicContact OD2-CD2 3.87Å; D343-H349 IonicContact OD2-CE1 2.67Å; D343-H349 IonicContact OD2-NE2 3.74Å; D343-H349 PolarHBondContact OD2-NE2 3.04Å
344K78.1Confident85.4Confident151 Ų15153.9 Ų53.966%0.65730%0.297SS*.THydrogen-bonded Turntrans-58.2-22.5176.560.2-178.7179.1177.70115V310V310-K344 HydrophobicContact CB-CB 4.19Å; V310-K344 HydrophobicContact CG2-CB 3.72Å
345C83.6Confident85.6Confident98 Ų9852.3 Ų52.366%0.66228%0.284SS*.THydrogen-bonded Turntrans-93.72.1178.9-64.80000111.8D343 M347D343-C345 PolarHBondContact O-N 2.9Å; D343-C345 VanDerWaalsContact O-N 3.15Å; D343-C345 VanDerWaalsContact OD1-CA 3.3Å; D343-C345 WeakPolarHBondContact OD1-CA 3.44Å; D343-C345 WeakPolarHBondContact OD1-CB 3.45Å; D343-C345 PolarHBondContact OD1-N 2.81Å; C345-M347 HydrophobicContact CB-CG 4.22Å; C345-M347 PolarHBondContact O-N 3.4Å
346G80Confident85.3Confident44 Ų4454.1 Ų54.145%0.45430%0.296SS..SBendtrans75.69.8-174.500000113.4D343D343-G346 PolarHBondContact O-N 2.91Å; D343-G346 PolarHBondContact OD1-N 2.92Å; D343-G346 VanDerWaalsContact OD1-N 3.12Å
347M82.4Confident85.7Confident112 Ų11253.1 Ų53.155%0.55229%0.289SS*.  trans-78.7131.8178.9-65.7-60.6-63.600109.8L342 D343 C345 H349L342-M347 WeakPolarHBondContact CA-O 3.32Å; D343-M347 PolarHBondContact N-O 2.87Å; D343-M347 PolarHBondContact OD1-N 2.86Å; C345-M347 HydrophobicContact CB-CG 4.22Å; C345-M347 PolarHBondContact O-N 3.4Å; M347-H349 PolarHBondContact O-CD2 2.91Å; M347-H349 VanDerWaalsContact O-CD2 3.23Å
348P85.2Confident85.7Confident99 Ų9954.7 Ų54.764%0.64330%0.299SS*.EExtended strand (participates in β ladder)trans-74.6129.517830-33.5000110.9L342L342-P348 HydrophobicContact CD2-CB 3.93Å
349H85.3Confident86Confident77 Ų7753 Ų5336%0.35629%0.29SS..EExtended strand (participates in β ladder)trans-116.3152.9172.1-67.7-81.2000110Q340 F341 D343 M347Q340-H349 VanDerWaalsContact CA-O 3.28Å; Q340-H349 WeakPolarHBondContact CA-O 3.36Å; F341-H349 HydrophobicContact CD1-CB 4.35Å; F341-H349 HydrophobicContact CD2-CB 4.22Å; F341-H349 HydrophobicContact CE1-CB 3.93Å; F341-H349 HydrophobicContact CE2-CB 3.78Å; F341-H349 HydrophobicContact CG-CB 4.48Å; F341-H349 HydrophobicContact CZ-CB 3.62Å; F341-H349 PolarHBondContact N-O 2.82Å; F341-H349 PolarHBondContact O-N 3.49Å; D343-H349 IonicContact OD2-CD2 3.87Å; D343-H349 IonicContact OD2-CE1 2.67Å; D343-H349 IonicContact OD2-NE2 3.74Å; D343-H349 PolarHBondContact OD2-NE2 3.04Å; M347-H349 PolarHBondContact O-CD2 2.91Å; M347-H349 VanDerWaalsContact O-CD2 3.23Å
350T85.9Confident86.1Confident84 Ų8454.1 Ų54.152%0.51530%0.297SS..EExtended strand (participates in β ladder)trans-132.4123172.4-66.20000107.9L338 T339 Q340L338-T350 HydrophobicContact CD1-CG2 3.31Å; L338-T350 HydrophobicContact CD2-CG2 4.16Å; L338-T350 HydrophobicContact CG-CG2 3.72Å; T339-T350 WeakPolarHBondContact O-CA 3.47Å; Q340-T350 HydrophobicContact CG-CG2 4.21Å; Q340-T350 PolarHBondContact NE2-OG1 2.78Å
351Q87.1Confident86.3Confident22 Ų2256.8 Ų56.810%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-112.6139.5176.8-174.2-178.76.300109T339 F341 N398 Y399T339-Q351 PolarHBondContact N-O 2.73Å; T339-Q351 PolarHBondContact O-N 2.8Å; F341-Q351 HydrophobicContact CE1-CB 4.3Å; Q351-N398 PolarHBondContact NE2-OD1 2.82Å; Q351-Y399 VanDerWaalsContact OE1-N 3.08Å
352Q87Confident86.5Confident84 Ų8460.9 Ų60.939%0.39332%0.319SS..EExtended strand (participates in β ladder)trans-114.5130.8174.8-175.5175.6-2900109.7T336 R337 L338 L377T336-Q352 HydrophobicContact CG2-CG 3.36Å; T336-Q352 VanDerWaalsContact CG2-NE2 3.26Å; R337-Q352 WeakPolarHBondContact O-CA 3.33Å; L338-Q352 HydrophobicContact CD1-CB 4.47Å; Q352-L377 HydrophobicContact CG-CD1 4.17Å
353T88.8Confident86.2Confident1 Ų166.8 Ų66.81%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-128.7142.9169.854.70000110.1T336 R337 E355 S375T336-T353 CarbonylContact C-O 3.53Å; R337-T353 PolarHBondContact N-O 3.31Å; R337-T353 PolarHBondContact O-N 3Å; T353-E355 PolarHBondContact OG1-OE1 3.18Å; T353-S375 CarbonylContact C-O 2.72Å; T353-S375 WeakPolarHBondContact CA-O 3.17Å
354E89.1Confident86Confident88 Ų8871.6 Ų71.641%0.41138%0.377SS..EExtended strand (participates in β ladder)trans-92.9127.2169.5-66.7175.6-17900107.6R374 S375E354-R374 CarbonylContact O-C 3.5Å; E354-R374 WeakPolarHBondContact O-CA 3.35Å; E354-S375 PolarHBondContact N-O 3.25Å; E354-S375 PolarHBondContact O-N 2.86Å
355E91.9Very high85.9Confident1 Ų170.6 Ų70.61%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-127.4135.4-176.8-51.1-163.2173.300110.4A334 Y335 R337 T353 R357 H373 R374A334-E355 WeakPolarHBondContact CA-O 3.44Å; Y335-E355 HydrophobicContact CD2-CB 4.38Å; Y335-E355 HydrophobicContact CE1-CB 4.03Å; Y335-E355 HydrophobicContact CE2-CB 3.79Å; Y335-E355 HydrophobicContact CE2-CG 4.11Å; Y335-E355 PolarHBondContact N-O 3.49Å; Y335-E355 PolarHBondContact O-N 3.5Å; Y335-E355 PolarHBondContact OH-OE2 2.97Å; R337-E355 HydrophobicContact CB-CG 4.29Å; R337-E355 VanDerWaalsContact CD-OE1 3.27Å; R337-E355 WeakPolarHBondContact CD-OE1 3.36Å; R337-E355 IonicContact NH1-OE1 3.8Å; R337-E355 PolarHBondContact NH1-OE1 2.79Å; T353-E355 PolarHBondContact OG1-OE1 3.18Å; E355-R357 IonicContact OE2-CZ 3.77Å; E355-R357 IonicContact OE2-NE 2.82Å; E355-R357 IonicContact OE2-NH2 2.93Å; E355-R357 PolarHBondContact OE2-NH2 3.46Å; E355-H373 CarbonylContact C-O 3.55Å; E355-H373 VanDerWaalsContact CA-O 3.29Å; E355-H373 WeakPolarHBondContact CA-O 3.42Å; E355-R374 HydrophobicContact CB-CG 4.49Å; E355-R374 HydrophobicContact CG-CG 3.91Å; E355-R374 IonicContact OE1-CZ 3.76Å; E355-R374 IonicContact OE1-NE 3.76Å; E355-R374 PolarHBondContact OE1-NE 3.19Å
356T87.1Confident86.2Confident49 Ų4967.4 Ų67.430%0.30135%0.352SS..EExtended strand (participates in β ladder)trans-118.2128.4168.5-60.10000108.8C332 I333 V372 H373C332-T356 VanDerWaalsContact SG-CG2 3.51Å; I333-T356 CarbonylContact O-C 3.55Å; I333-T356 WeakPolarHBondContact O-CA 3.45Å; T356-V372 CarbonylContact O-C 3.53Å; T356-V372 VanDerWaalsContact O-CA 3.3Å; T356-V372 WeakPolarHBondContact O-CA 3.5Å; T356-H373 PolarHBondContact N-O 3.38Å; T356-H373 PolarHBondContact O-N 2.98Å
357R95.3Very high86.8Confident5 Ų567.1 Ų67.12%0.01934%0.338CS..EExtended strand (participates in β ladder)trans-122.2137.8176.4-69.9-176-170.9-82.9-9.7110.6C332 I333 Y335 E355 N369 H371 V372C332-R357 CarbonylContact C-O 3.54Å; C332-R357 WeakPolarHBondContact CA-O 3.47Å; I333-R357 HydrophobicContact CG2-CB 3.85Å; I333-R357 PolarHBondContact N-O 3.1Å; I333-R357 PolarHBondContact O-N 3.18Å; Y335-R357 HydrophobicContact CE1-CG 4.41Å; Y335-R357 PolarHBondContact OH-NE 3.09Å; E355-R357 IonicContact OE2-CZ 3.77Å; E355-R357 IonicContact OE2-NE 2.82Å; E355-R357 IonicContact OE2-NH2 2.93Å; E355-R357 PolarHBondContact OE2-NH2 3.46Å; R357-N369 PolarHBondContact NH1-OD1 3.37Å; R357-H371 WeakPolarHBondContact CA-O 3.3Å; R357-V372 HydrophobicContact CG-CB 4.07Å; R357-V372 HydrophobicContact CG-CG2 3.71Å
358V89.6Confident87.4Confident34 Ų3461.8 Ų61.821%0.20631%0.312CS..EExtended strand (participates in β ladder)trans-105.6126.8171-173.80000108.6M326 N369 V370 H371M326-V358 HydrophobicContact CE-CG1 4.21Å; V358-N369 WeakPolarHBondContact O-CA 3.45Å; V358-N369 PolarHBondContact O-ND2 3.04Å; V358-V370 HydrophobicContact CB-CG2 3.77Å; V358-V370 HydrophobicContact CG1-CG2 3.62Å; V358-V370 WeakPolarHBondContact O-CG2 3.21Å; V358-V370 PolarHBondContact O-N 3.07Å; V358-H371 HydrophobicContact CB-CB 4.13Å; V358-H371 HydrophobicContact CG2-CB 4.18Å; V358-H371 PolarHBondContact N-O 2.99Å
359W94.8Very high87.8Confident0 Ų057.1 Ų57.10%028%0.281CS..EExtended strand (participates in β ladder)trans-114.2135.9-179.2-68.793.9000109.6I253 A256 T257 L260 F275 A330 A331 W367 Q368 N369I253-W359 HydrophobicContact CD1-CB 4.11Å; I253-W359 HydrophobicContact CD1-CG 4.45Å; I253-W359 HydrophobicContact CG2-CG 4.4Å; A256-W359 HydrophobicContact CB-CE3 4.37Å; A256-W359 HydrophobicContact CB-CH2 3.89Å; A256-W359 HydrophobicContact CB-CZ2 4.15Å; A256-W359 HydrophobicContact CB-CZ3 4.01Å; T257-W359 PolarHBondContact OG1-NE1 3.3Å; L260-W359 HydrophobicContact CB-CH2 4.11Å; L260-W359 HydrophobicContact CB-CZ2 4.46Å; L260-W359 HydrophobicContact CD1-CH2 3.66Å; L260-W359 HydrophobicContact CD1-CZ2 3.99Å; F275-W359 HydrophobicContact CB-CH2 4.33Å; F275-W359 HydrophobicContact CB-CZ3 4.4Å; F275-W359 HydrophobicContact CD1-CH2 4.2Å; F275-W359 HydrophobicContact CD1-CZ3 4.23Å; A330-W359 WeakPolarHBondContact CA-O 3.4Å; A331-W359 PolarHBondContact N-O 3.38Å; A331-W359 PolarHBondContact O-N 2.83Å; W359-W367 HydrophobicContact CB-CE3 3.78Å; W359-W367 HydrophobicContact CB-CZ3 4.3Å; W359-W367 HydrophobicContact CE3-CB 3.72Å; W359-W367 HydrophobicContact CZ3-CB 4.19Å; W359-Q368 WeakPolarHBondContact CA-O 3.5Å; W359-Q368 VanDerWaalsContact CE3-C 3.46Å; W359-N369 HydrophobicContact CD2-CB 4.17Å; W359-N369 HydrophobicContact CE3-CB 3.93Å; W359-N369 HydrophobicContact CH2-CB 3.98Å; W359-N369 HydrophobicContact CZ2-CB 4.17Å; W359-N369 HydrophobicContact CZ3-CB 3.85Å
360V89.6Confident88.1Confident28 Ų2854.7 Ų54.717%0.1727%0.272CS..EExtended strand (participates in β ladder)trans-126.1134.3172.31780000108.8D329 A330 Q368 V370D329-V360 CarbonylContact O-C 3.58Å; D329-V360 VanDerWaalsContact O-CA 3.25Å; D329-V360 WeakPolarHBondContact O-CA 3.4Å; A330-V360 HydrophobicContact CB-CG2 4.5Å; V360-Q368 PolarHBondContact N-O 3.3Å; V360-Q368 PolarHBondContact O-N 3.21Å; V360-V370 HydrophobicContact CB-CG1 3.88Å; V360-V370 HydrophobicContact CG2-CG1 3.72Å; V360-V370 HydrophobicContact CG2-CG2 3.94Å
361R90.5Very high88.2Confident131 Ų13153 Ų5349%0.49426%0.258SS..EExtended strand (participates in β ladder)trans-79.6125.8175.1-165.3177.2-174.4176.80.9109D329 G366 W367D329-R361 HydrophobicContact CB-CB 4.02Å; D329-R361 PolarHBondContact O-N 2.61Å; R361-G366 WeakPolarHBondContact CA-O 3.44Å; R361-W367 HydrophobicContact CB-CD2 4.26Å; R361-W367 HydrophobicContact CB-CE3 3.95Å; R361-W367 HydrophobicContact CB-CH2 4.2Å; R361-W367 HydrophobicContact CB-CZ2 4.48Å; R361-W367 HydrophobicContact CB-CZ3 3.93Å
362R86.7Confident88.4Confident96 Ų9652 Ų5236%0.36225%0.253SS..EExtended strand (participates in β ladder)trans-108.1137.6171.9-56.9-58.9-170.1-170.23.2108.5D277 D364 R365 G366 Q368D277-R362 IonicContact OD2-CZ 3.39Å; D277-R362 VanDerWaalsContact OD2-CZ 3.32Å; D277-R362 IonicContact OD2-NE 2.66Å; D277-R362 PolarHBondContact OD2-NE 3.45Å; D277-R362 IonicContact OD2-NH2 2.61Å; D277-R362 PolarHBondContact OD2-NH2 3.03Å; R362-D364 PolarHBondContact O-N 3.45Å; R362-R365 PolarHBondContact O-N 3.24Å; R362-G366 PolarHBondContact N-O 2.83Å; R362-G366 PolarHBondContact O-N 3.39Å; R362-G366 VanDerWaalsContact O-N 3.13Å; R362-Q368 HydrophobicContact CB-CG 4.23Å; R362-Q368 HydrophobicContact CG-CB 4.26Å; R362-Q368 HydrophobicContact CG-CG 3.72Å
363N73.3Confident88.4Confident170 Ų17051.4 Ų51.491%0.90925%0.25SS*.THydrogen-bonded Turntrans-55.3-23.5-168.2-70.6-21.5000114.7
364D73.8Confident88.4Confident129 Ų12951.8 Ų51.869%0.6925%0.251SS*.THydrogen-bonded Turntrans-112.4-23.9-173.959.3-15.1000114.3R362R362-D364 PolarHBondContact O-N 3.45Å
365R77.6Confident87.9Confident130 Ų13049.7 Ų49.749%0.49125%0.247SC..THydrogen-bonded Turntrans-115.6-3.6-171-70.7-172.4-80.2169.4-7115.1R362 Q368R362-R365 PolarHBondContact O-N 3.24Å; R365-Q368 HydrophobicContact CB-CG 4.29Å
366G89.4Confident87.1Confident31 Ų3152 Ų5232%0.3226%0.262SS..EExtended strand (participates in β ladder)trans75.6-147.5-174.600000111.5R361 R362 Q368R361-G366 WeakPolarHBondContact CA-O 3.44Å; R362-G366 PolarHBondContact N-O 2.83Å; R362-G366 PolarHBondContact O-N 3.39Å; R362-G366 VanDerWaalsContact O-N 3.13Å; G366-Q368 PolarHBondContact O-N 2.96Å
367W93.3Very high85.8Confident38 Ų3854.2 Ų54.214%0.14427%0.272CS..EExtended strand (participates in β ladder)trans-71.5127.8179.4-68.8109.6000110.9I253 A256 D329 A331 W359 R361I253-W367 HydrophobicContact CD1-CD2 3.51Å; I253-W367 VanDerWaalsContact CD1-CE2 3.43Å; I253-W367 HydrophobicContact CD1-CE3 3.71Å; I253-W367 HydrophobicContact CD1-CG 4.12Å; I253-W367 HydrophobicContact CD1-CH2 3.83Å; I253-W367 HydrophobicContact CD1-CZ2 3.62Å; I253-W367 HydrophobicContact CD1-CZ3 3.85Å; A256-W367 HydrophobicContact CB-CB 4.29Å; D329-W367 WeakPolarHBondContact O-CZ3 3.48Å; A331-W367 HydrophobicContact CB-CH2 4.41Å; A331-W367 HydrophobicContact CB-CZ3 4.38Å; W359-W367 HydrophobicContact CB-CE3 3.78Å; W359-W367 HydrophobicContact CB-CZ3 4.3Å; W359-W367 HydrophobicContact CE3-CB 3.72Å; W359-W367 HydrophobicContact CZ3-CB 4.19Å; R361-W367 HydrophobicContact CB-CD2 4.26Å; R361-W367 HydrophobicContact CB-CE3 3.95Å; R361-W367 HydrophobicContact CB-CH2 4.2Å; R361-W367 HydrophobicContact CB-CZ2 4.48Å; R361-W367 HydrophobicContact CB-CZ3 3.93Å
368Q93.9Very high83.4Confident1 Ų159.2 Ų59.21%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-119.9130.2174.6-58.4-71.5-92.500108.5K274 F275 L276 D277 W359 V360 R362 R365 G366 V370K274-Q368 PolarHBondContact O-NE2 2.82Å; K274-Q368 PolarHBondContact O-OE1 3.16Å; F275-Q368 CarbonylContact O-C 3.47Å; F275-Q368 WeakPolarHBondContact O-CA 3.39Å; L276-Q368 PolarHBondContact O-OE1 3.17Å; L276-Q368 VanDerWaalsContact O-OE1 3.11Å; D277-Q368 HydrophobicContact CB-CB 4.19Å; W359-Q368 WeakPolarHBondContact CA-O 3.5Å; W359-Q368 VanDerWaalsContact CE3-C 3.46Å; V360-Q368 PolarHBondContact N-O 3.3Å; V360-Q368 PolarHBondContact O-N 3.21Å; R362-Q368 HydrophobicContact CB-CG 4.23Å; R362-Q368 HydrophobicContact CG-CB 4.26Å; R362-Q368 HydrophobicContact CG-CG 3.72Å; R365-Q368 HydrophobicContact CB-CG 4.29Å; G366-Q368 PolarHBondContact O-N 2.96Å; Q368-V370 PolarHBondContact O-N 2.85Å
369N94.3Very high81Confident0 Ų062.4 Ų62.40%034%0.338CS..EExtended strand (participates in β ladder)trans-76.7116.6175-175.3-151.7000108L260 F275 L276 D277 F280 R357 V358 W359 H371L260-N369 HydrophobicContact CD1-CB 3.95Å; F275-N369 PolarHBondContact O-N 3.17Å; L276-N369 HydrophobicContact CD2-CB 4.02Å; D277-N369 PolarHBondContact N-O 3.28Å; F280-N369 WeakPolarHBondContact CD2-O 3.45Å; R357-N369 PolarHBondContact NH1-OD1 3.37Å; V358-N369 WeakPolarHBondContact O-CA 3.45Å; V358-N369 PolarHBondContact O-ND2 3.04Å; W359-N369 HydrophobicContact CD2-CB 4.17Å; W359-N369 HydrophobicContact CE3-CB 3.93Å; W359-N369 HydrophobicContact CH2-CB 3.98Å; W359-N369 HydrophobicContact CZ2-CB 4.17Å; W359-N369 HydrophobicContact CZ3-CB 3.85Å; N369-H371 PolarHBondContact ND2-O 3.27Å
370V91Very high77.8Confident27 Ų2766.3 Ų66.316%0.16438%0.378CS..EExtended strand (participates in β ladder)trans-96.2-26.6-178.4-62.60000112.1D277 F280 T281 V358 V360 Q368D277-V370 HydrophobicContact CB-CB 4.36Å; D277-V370 HydrophobicContact CB-CG1 3.69Å; F280-V370 WeakPolarHBondContact CA-O 3.25Å; T281-V370 PolarHBondContact N-O 2.9Å; T281-V370 PolarHBondContact OG1-O 3.01Å; V358-V370 HydrophobicContact CB-CG2 3.77Å; V358-V370 HydrophobicContact CG1-CG2 3.62Å; V358-V370 WeakPolarHBondContact O-CG2 3.21Å; V358-V370 PolarHBondContact O-N 3.07Å; V360-V370 HydrophobicContact CB-CG1 3.88Å; V360-V370 HydrophobicContact CG2-CG1 3.72Å; V360-V370 HydrophobicContact CG2-CG2 3.94Å; Q368-V370 PolarHBondContact O-N 2.85Å
371H88.8Confident74.9Confident49 Ų4970.3 Ų70.323%0.22741%0.407CS..EExtended strand (participates in β ladder)trans-148.9143.1-179.3-177.869000111T281 R357 V358 N369T281-H371 WeakPolarHBondContact O-CA 3.23Å; T281-H371 PolarHBondContact O-ND1 2.76Å; T281-H371 PolarHBondContact OG1-ND1 2.93Å; R357-H371 WeakPolarHBondContact CA-O 3.3Å; V358-H371 HydrophobicContact CB-CB 4.13Å; V358-H371 HydrophobicContact CG2-CB 4.18Å; V358-H371 PolarHBondContact N-O 2.99Å; N369-H371 PolarHBondContact ND2-O 3.27Å
372V91.7Very high71.9Confident1 Ų168 Ų681%0.00642%0.424CS..EExtended strand (participates in β ladder)trans-133.6139.1164.965.60000110.8F280 T281 Y282 F283 T356 R357 R374F280-V372 HydrophobicContact CE2-CB 4.38Å; F280-V372 HydrophobicContact CE2-CG1 3.86Å; F280-V372 HydrophobicContact CZ-CB 4.46Å; F280-V372 HydrophobicContact CZ-CG1 3.5Å; F280-V372 VanDerWaalsContact CZ-CG1 3.5Å; T281-V372 PolarHBondContact O-N 2.96Å; Y282-V372 HydrophobicContact CD2-CG1 3.35Å; Y282-V372 HydrophobicContact CE2-CG1 3.97Å; Y282-V372 HydrophobicContact CG-CG1 4.34Å; F283-V372 PolarHBondContact N-O 3.28Å; T356-V372 CarbonylContact O-C 3.53Å; T356-V372 VanDerWaalsContact O-CA 3.3Å; T356-V372 WeakPolarHBondContact O-CA 3.5Å; R357-V372 HydrophobicContact CG-CB 4.07Å; R357-V372 HydrophobicContact CG-CG2 3.71Å; V372-R374 HydrophobicContact CG2-CG 4.06Å
373H85Confident69Low71 Ų7167.1 Ų67.133%0.32945%0.445SS..EExtended strand (participates in β ladder)trans-118124.1168.4-173.3179.8000108.7F283 E355 T356 S375F283-H373 AromaticContact CD1-CD2 3.53Å; F283-H373 AromaticContact CD1-NE2 3.44Å; F283-H373 WeakPolarHBondContact CD1-NE2 3.38Å; F283-H373 AromaticContact CE1-NE2 3.88Å; F283-H373 CarbonylContact O-C 3.53Å; F283-H373 VanDerWaalsContact O-CA 3.26Å; F283-H373 WeakPolarHBondContact O-CA 3.45Å; E355-H373 CarbonylContact C-O 3.55Å; E355-H373 VanDerWaalsContact CA-O 3.29Å; E355-H373 WeakPolarHBondContact CA-O 3.42Å; T356-H373 PolarHBondContact N-O 3.38Å; T356-H373 PolarHBondContact O-N 2.98Å; H373-S375 PolarHBondContact NE2-OG 2.93Å
374R89.5Confident66.8Low8 Ų863.3 Ų63.33%0.0345%0.445CS..EExtended strand (participates in β ladder)trans-113.5138.1172.7-63.6179.863.9-1461110.7Y282 F283 E286 E354 E355 V372 P400Y282-R374 HydrophobicContact CE2-CG 4.41Å; Y282-R374 PolarHBondContact OH-NH1 2.83Å; F283-R374 PolarHBondContact O-N 3.13Å; E286-R374 IonicContact OE1-NH1 3.21Å; E286-R374 IonicContact OE2-NH1 3.32Å; E354-R374 CarbonylContact O-C 3.5Å; E354-R374 WeakPolarHBondContact O-CA 3.35Å; E355-R374 HydrophobicContact CB-CG 4.49Å; E355-R374 HydrophobicContact CG-CG 3.91Å; E355-R374 IonicContact OE1-CZ 3.76Å; E355-R374 IonicContact OE1-NE 3.76Å; E355-R374 PolarHBondContact OE1-NE 3.19Å; V372-R374 HydrophobicContact CG2-CG 4.06Å; R374-P400 PolarHBondContact NH1-O 3.4Å
375S79.7Confident64.5Low45 Ų4560.8 Ų60.832%0.31545%0.45SS..EExtended strand (participates in β ladder)trans-131135.2173.9-53.30000109.9T353 E354 H373T353-S375 CarbonylContact C-O 2.72Å; T353-S375 WeakPolarHBondContact CA-O 3.17Å; E354-S375 PolarHBondContact N-O 3.25Å; E354-S375 PolarHBondContact O-N 2.86Å; H373-S375 PolarHBondContact NE2-OG 2.93Å
376C75.1Confident62Low49 Ų4965.2 Ų65.233%0.33147%0.473SS..EExtended strand (participates in β ladder)trans-93.6133.5171.3-690000109P285 S378P285-C376 HydrophobicContact CG-CB 4.41Å; P285-C376 VanDerWaalsContact CG-SG 3.55Å; C376-S378 PolarHBondContact O-N 3.48Å
377L58.4Low59Low95 Ų9567.7 Ų67.750%0.49749%0.491SS..  trans-71.3113163.2-74.4157.3000107.3Q352 A379Q352-L377 HydrophobicContact CG-CD1 4.17Å; L377-A379 PolarHBondContact O-N 3.07Å
378S45.8Very low55.8Low110 Ų11073 Ų7377%0.76952%0.522SS*.PPolyproline II helixtrans-63.9120.1167.250.70000107.8C376 G380C376-S378 PolarHBondContact O-N 3.48Å; S378-G380 PolarHBondContact O-N 2.98Å; S378-G380 VanDerWaalsContact O-N 3.09Å
379A38.4Very low52.6Low102 Ų10281 Ų8184%0.84356%0.563SS**PPolyproline II helixtrans-57.8118.216700000107.2L377 S381L377-A379 PolarHBondContact O-N 3.07Å; A379-S381 PolarHBondContact O-N 3.48Å
380G27.6Very low49.3Very low81 Ų8185.5 Ų85.584%0.83560%0.595SS**PPolyproline II helixtrans-53.1124.9-164.200000114.4S378S378-G380 PolarHBondContact O-N 2.98Å; S378-G380 VanDerWaalsContact O-N 3.09Å
381S29.8Very low46.2Very low112 Ų11290.4 Ų90.478%0.78363%0.625SS**  trans-118.7116.1146.471.90000107.4A379A379-S381 PolarHBondContact O-N 3.48Å
382G27.2Very low43.2Very low83 Ų8394.4 Ų94.486%0.85665%0.653SS**  trans-62.7156.6168.400000111.7
383G25.8Very low40Very low78 Ų7898.4 Ų98.480%0.80469%0.694SS**  trans109.7117.2165.800000113
384G25.6Very low37.1Very low89 Ų8999.8 Ų99.892%0.91871%0.712SS**  trans-66.8166.5-172.900000115.1
385G26Very low34.1Very low76 Ų76103.9 Ų103.978%0.78475%0.747SS**  trans143.4100.7165.700000112.6A387G385-A387 PolarHBondContact O-N 3.11Å
386F25.1Very low31.7Very low223 Ų223105.6 Ų105.698%0.97876%0.759SS**  trans-56.7112.7157.8-72.9-93.6000108.9
387A27.4Very low29.9Very low84 Ų84107.8 Ų107.869%0.69476%0.763SS**  trans-178.5135.315000000113G385G385-A387 PolarHBondContact O-N 3.11Å
388N26.2Very low29.5Very low149 Ų149106.9 Ų106.980%0.79776%0.759SS**  trans79.1100.8145.5-65.9-11.1000119.9S390N388-S390 PolarHBondContact O-N 2.93Å; N388-S390 VanDerWaalsContact O-N 3.1Å
389I26.7Very low29.8Very low170 Ų170102.3 Ų102.387%0.87273%0.725SS**  trans-36.5106.6139.1-64.5164.7000109.6
390S24.7Very low30.4Very low94 Ų9498.3 Ų98.366%0.65769%0.69SS**  trans-123.1102.8161.862.10000108.8N388 T392N388-S390 PolarHBondContact O-N 2.93Å; N388-S390 VanDerWaalsContact O-N 3.1Å; S390-T392 PolarHBondContact O-N 2.97Å
391T25.4Very low31.5Very low129 Ų12995 Ų9579%0.79165%0.653SS**  trans-55.795.1159.640.50000109.4
392T25.4Very low31.6Very low133 Ų13394.2 Ų94.282%0.81665%0.647SS**  trans170.5127.1153.830.70000109.9S390S390-T392 PolarHBondContact O-N 2.97Å
393G25Very low31.9Very low85 Ų8594.7 Ų94.788%0.87664%0.636SS**SBendtrans89.444.6145.500000119.9
394S24Very low32.2Very low101 Ų10195.7 Ų95.771%0.70663%0.627SS**  -178103.712796.70000106.5S396S394-S396 PolarHBondContact O-N 2.9Å
395A26Very low32.6Very low93 Ų9396.1 Ų96.177%0.76961%0.61SS**  trans-70.487.4164.900000105.8F397A395-F397 PolarHBondContact O-N 2.77Å
396S30.6Very low33Very low81 Ų8197.3 Ų97.357%0.56660%0.599SS**  trans-50109.8162.646.10000105.9S394 N398S394-S396 PolarHBondContact O-N 2.9Å; S396-N398 PolarHBondContact O-N 2.88Å
397F36.1Very low33.5Very low96 Ų9688.9 Ų88.942%0.42157%0.573SS.*  trans-62.976.3177.2-99.8-100.4000108.2V310 V311 F341 A395 Y399V310-F397 HydrophobicContact CG2-CE1 4.12Å; V310-F397 HydrophobicContact CG2-CZ 4.27Å; V311-F397 HydrophobicContact CG2-CD1 4.47Å; F341-F397 HydrophobicContact CE2-CB 4.34Å; F341-F397 HydrophobicContact CZ-CB 4.34Å; F341-F397 WeakPolarHBondContact CZ-O 3.15Å; A395-F397 PolarHBondContact O-N 2.77Å; F397-Y399 PolarHBondContact O-N 3.33Å
398N49.7Very low34Very low76 Ų7689.3 Ų89.341%0.40657%0.565SS.*  trans-77.9116.3164.2-78.1-20.4000105.2Q351 S396 P400Q351-N398 PolarHBondContact NE2-OD1 2.82Å; S396-N398 PolarHBondContact O-N 2.88Å; N398-P400 WeakPolarHBondContact O-CD 3.35Å; N398-P400 VanDerWaalsContact O-N 3.13Å
399Y52.4Low34.6Very low14 Ų1484.7 Ų84.76%0.05555%0.547CS..  trans-66113.4168.1-147.1-92000106.1I306 S309 V311 I314 Q351 F397 L401I306-Y399 HydrophobicContact CG1-CE1 4.49Å; S309-Y399 WeakPolarHBondContact OG-CE2 2.8Å; S309-Y399 PolarHBondContact OG-OH 3.25Å; V311-Y399 HydrophobicContact CB-CD2 4.23Å; V311-Y399 HydrophobicContact CB-CE2 3.62Å; V311-Y399 HydrophobicContact CG1-CD2 4.23Å; V311-Y399 HydrophobicContact CG1-CE2 3.84Å; V311-Y399 HydrophobicContact CG2-CD2 3.99Å; V311-Y399 HydrophobicContact CG2-CE2 3.77Å; I314-Y399 HydrophobicContact CD1-CD1 3.96Å; I314-Y399 HydrophobicContact CD1-CE1 3.23Å; I314-Y399 HydrophobicContact CD1-CE2 3.89Å; I314-Y399 VanDerWaalsContact CD1-OH 3.3Å; I314-Y399 WeakPolarHBondContact CD1-OH 3.12Å; I314-Y399 HydrophobicContact CG1-CD1 4.4Å; I314-Y399 HydrophobicContact CG1-CD2 4.44Å; I314-Y399 HydrophobicContact CG1-CE1 4.06Å; I314-Y399 HydrophobicContact CG1-CE2 4.13Å; Q351-Y399 VanDerWaalsContact OE1-N 3.08Å; F397-Y399 PolarHBondContact O-N 3.33Å; Y399-L401 PolarHBondContact O-N 2.88Å; Y399-L401 VanDerWaalsContact O-N 3.12Å
400P52.5Low35.2Very low17 Ų1777.6 Ų77.611%0.1152%0.52CS..  trans-77.8-4.2-159.227.5-33.2000113.8E286 Y301 I305 R374 N398E286-P400 HydrophobicContact CG-CB 4.38Å; Y301-P400 HydrophobicContact CD1-CB 3.44Å; Y301-P400 VanDerWaalsContact CD1-CB 3.44Å; Y301-P400 HydrophobicContact CD1-CG 3.22Å; Y301-P400 HydrophobicContact CE1-CB 3.11Å; Y301-P400 HydrophobicContact CE1-CG 3.36Å; Y301-P400 HydrophobicContact CG-CB 4.45Å; Y301-P400 HydrophobicContact CG-CG 4.33Å; I305-P400 HydrophobicContact CG2-CG 3.89Å; R374-P400 PolarHBondContact NH1-O 3.4Å; N398-P400 WeakPolarHBondContact O-CD 3.35Å; N398-P400 VanDerWaalsContact O-N 3.13Å
401L50.7Low36.2Very low12 Ų1276.1 Ų76.16%0.06351%0.507CS..  trans-125.20-177.2-79.3178.4000114.9Y301 F302 I306 R337 Y399Y301-L401 HydrophobicContact CG-CD1 4.21Å; Y301-L401 HydrophobicContact CG-CG 4.15Å; F302-L401 HydrophobicContact CD2-CD1 3.69Å; F302-L401 HydrophobicContact CE2-CD1 3.55Å; F302-L401 HydrophobicContact CZ-CD1 4.29Å; I306-L401 HydrophobicContact CD1-CD1 3.75Å; R337-L401 VanDerWaalsContact NH1-C 3.34Å; R337-L401 PolarHBondContact NH1-O 3.49Å; R337-L401 PolarHBondContact NH1-OXT 2.83Å; R337-L401 PolarHBondContact NH2-O 3.08Å; Y399-L401 PolarHBondContact O-N 2.88Å; Y399-L401 VanDerWaalsContact O-N 3.12Å

Retrieved 401 of 401 residues in 583.7 ms (Link to these results)

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