A0A077Z730_TRITR Loading...

Amidophosphoribosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z730, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 490 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
1M41.6Very low81.6Confident35 Ų3513.5 Ų13.517%0.1727%0.067CC..  01430-158.7169-72.400106.9F260 F265 V387 I416 I424 I426M1-F260 HydrophobicContact CE-CD1 4.15Å; M1-F260 HydrophobicContact CE-CE1 3.39Å; M1-F260 HydrophobicContact CE-CE2 4.13Å; M1-F260 HydrophobicContact CE-CZ 3.4Å; M1-F260 VanDerWaalsContact CE-CZ 3.4Å; M1-F260 HydrophobicContact SD-CD1 3.4Å; M1-F260 WeakPolarHBondContact SD-CD1 3.46Å; M1-F260 HydrophobicContact SD-CE1 3.19Å; M1-F260 WeakPolarHBondContact SD-CE1 3.45Å; M1-F260 HydrophobicContact SD-CE2 4.48Å; M1-F260 HydrophobicContact SD-CG 4.18Å; M1-F260 HydrophobicContact SD-CZ 3.82Å; M1-F265 HydrophobicContact CG-CE2 3.98Å; M1-F265 HydrophobicContact CG-CZ 4.09Å; M1-F265 HydrophobicContact SD-CE2 3.68Å; M1-F265 HydrophobicContact SD-CZ 4.35Å; M1-V387 HydrophobicContact CB-CG2 4.02Å; M1-V387 HydrophobicContact CE-CG2 3.66Å; M1-I416 HydrophobicContact CE-CD1 3.35Å; M1-I416 HydrophobicContact CE-CG1 4.38Å; M1-I424 HydrophobicContact CG-CG2 3.93Å; M1-I424 HydrophobicContact SD-CG2 3.82Å; M1-I426 HydrophobicContact CE-CD1 3.73Å; M1-I426 HydrophobicContact CE-CG1 3.91Å; M1-I426 HydrophobicContact CG-CG1 4.42Å; M1-I426 HydrophobicContact SD-CD1 4.3Å; M1-I426 HydrophobicContact SD-CG1 4.21Å
2H51.4Low82.7Confident70 Ų7012.8 Ų12.832%0.3246%0.064SC..BIsolated β-bridgetrans-125.9151.9-173.8-59.3-71.2000112.9Y84 F265 N425H2-Y84 HydrophobicContact CB-CD1 4.39Å; H2-Y84 HydrophobicContact CB-CE1 3.5Å; H2-Y84 HydrophobicContact CB-CE2 3.68Å; H2-Y84 WeakPolarHBondContact CB-OH 3.49Å; H2-Y84 PolarHBondContact CD2-OH 3.16Å; H2-Y84 AromaticContact CG-CZ 3.82Å; H2-F265 WeakPolarHBondContact O-CE1 3.47Å; H2-F265 WeakPolarHBondContact O-CZ 2.96Å; H2-N425 HydrophobicContact CB-CB 4.41Å
3E58.2Low83.3Confident24 Ų2419.1 Ų19.111%0.1129%0.091CC..  trans-62.6160.1-157.5-61.3161.4177.100113.6H33 R34 Q36 Y84 F265 R349E3-H33 WeakPolarHBondContact CB-O 3.48Å; E3-H33 WeakPolarHBondContact CG-O 3.31Å; E3-R34 VanDerWaalsContact CB-O 3.31Å; E3-R34 WeakPolarHBondContact CB-O 3.4Å; E3-Q36 PolarHBondContact OE1-NE2 3.29Å; E3-Q36 PolarHBondContact OE2-NE2 2.96Å; E3-Y84 HydrophobicContact CB-CD2 4.15Å; E3-Y84 HydrophobicContact CB-CG 4.25Å; E3-Y84 WeakPolarHBondContact O-CB 3.35Å; E3-Y84 WeakPolarHBondContact O-CD1 3.48Å; E3-F265 VanDerWaalsContact C-CE1 3.45Å; E3-R349 IonicContact OE1-NH2 2.63Å; E3-R349 PolarHBondContact OE1-NH2 3.41Å; E3-R349 IonicContact OE2-CZ 3.07Å; E3-R349 IonicContact OE2-NH1 3.36Å; E3-R349 IonicContact OE2-NH2 2.85Å; E3-R349 PolarHBondContact OE2-NH2 2.81Å
4A70.6Confident83.7Confident1 Ų120.9 Ų20.91%0.00810%0.104CC..  trans-118.2141.3-177.700000106.7R34 F265 G423A4-R34 CarbonylContact C-O 3.37Å; A4-R34 PolarHBondContact N-O 2.9Å; A4-R34 CarbonylContact O-C 3.52Å; A4-R34 VanDerWaalsContact O-C 3.31Å; A4-R34 VanDerWaalsContact O-CA 3.29Å; A4-R34 WeakPolarHBondContact O-CA 3.48Å; A4-R34 WeakPolarHBondContact O-CB 3.2Å; A4-F265 HydrophobicContact CB-CD1 3.94Å; A4-F265 HydrophobicContact CB-CE1 3.82Å; A4-F265 VanDerWaalsContact N-CE1 3.31Å; A4-G423 WeakPolarHBondContact CB-O 3.47Å
5C91.4Very high83.7Confident14 Ų1423.5 Ų23.510%0.09512%0.122CC..  trans-50.8155.1-170.5-60.60000115R34 H81 V82 Y84 N113C5-R34 WeakPolarHBondContact O-CD 3.29Å; C5-H81 VanDerWaalsContact CB-NE2 3.28Å; C5-H81 WeakPolarHBondContact CB-NE2 3.41Å; C5-H81 VanDerWaalsContact SG-CE1 3.58Å; C5-V82 VanDerWaalsContact CA-O 3.29Å; C5-V82 WeakPolarHBondContact CA-O 3.46Å; C5-V82 WeakPolarHBondContact CB-O 3.42Å; C5-Y84 PolarHBondContact SG-N 2.91Å; C5-Y84 PolarHBondContact SG-O 3.43Å; C5-N113 HydrophobicContact CB-CB 4.21Å; C5-N113 PolarHBondContact O-ND2 3.18Å; C5-N113 VanDerWaalsContact O-ND2 3.09Å; C5-N113 PolarHBondContact O-OD1 3.03Å
6G95.2Very high83.6Confident0 Ų028.6 Ų28.60%017%0.169CC..EExtended strand (participates in β ladder)trans-119.3137.4174.600000110.9H81 V82G6-H81 CarbonylContact O-C 3.58Å; G6-H81 WeakPolarHBondContact O-CA 3.42Å; G6-V82 PolarHBondContact N-O 3.12Å; G6-V82 PolarHBondContact O-N 3.12Å
7I97.9Very high83.6Confident0 Ų033.6 Ų33.60%020%0.2CC..EExtended strand (participates in β ladder)trans-113.7138.9174.8-53.7165.1000108.6L31 L79 A111 N113 S170 V172 S210 S211I7-L31 WeakPolarHBondContact O-CD1 3.49Å; I7-L79 HydrophobicContact CG2-CD1 3.91Å; I7-A111 HydrophobicContact CD1-CB 4.38Å; I7-A111 WeakPolarHBondContact CD1-O 3.3Å; I7-A111 HydrophobicContact CG1-CB 4.05Å; I7-A111 HydrophobicContact CG2-CB 3.83Å; I7-N113 HydrophobicContact CD1-CB 4.06Å; I7-N113 HydrophobicContact CG1-CB 4.29Å; I7-S170 WeakPolarHBondContact CD1-O 3.24Å; I7-V172 HydrophobicContact CG2-CB 3.87Å; I7-V172 HydrophobicContact CG2-CG2 3.62Å; I7-S210 WeakPolarHBondContact O-CA 3.5Å; I7-S211 PolarHBondContact N-OG 3.04Å; I7-S211 PolarHBondContact O-N 3.1Å
8F98.5Very high83.8Confident0 Ų032.4 Ų32.40%019%0.193CC..EExtended strand (participates in β ladder)trans-137.2134.8166.2-166.1-75.7000108.7A10 I23 T24 G27 L28 L31 G80 F208 V209 A215 F216 L219F8-A10 HydrophobicContact CE1-CB 4.23Å; F8-I23 HydrophobicContact CE1-CG2 3.73Å; F8-I23 HydrophobicContact CZ-CG2 4.02Å; F8-T24 HydrophobicContact CD1-CG2 4.24Å; F8-G27 VanDerWaalsContact CD2-CA 3.49Å; F8-L28 HydrophobicContact CB-CD2 3.79Å; F8-L28 HydrophobicContact CB-CG 4.31Å; F8-L31 HydrophobicContact CB-CD1 4.16Å; F8-G80 PolarHBondContact N-O 3.09Å; F8-G80 VanDerWaalsContact N-O 3.07Å; F8-G80 WeakPolarHBondContact O-CA 3.48Å; F8-G80 PolarHBondContact O-N 2.76Å; F8-F208 HydrophobicContact CE1-CB 3.83Å; F8-F208 HydrophobicContact CE1-CG 4.46Å; F8-F208 HydrophobicContact CZ-CB 3.65Å; F8-F208 HydrophobicContact CZ-CD1 4.34Å; F8-F208 HydrophobicContact CZ-CD2 4.39Å; F8-F208 AromaticContact CZ-CG 3.91Å; F8-F208 HydrophobicContact CZ-CG 3.91Å; F8-V209 CarbonylContact C-O 3.49Å; F8-V209 WeakPolarHBondContact CA-O 3.4Å; F8-A215 HydrophobicContact CD2-CB 3.76Å; F8-A215 HydrophobicContact CE2-CB 3.77Å; F8-F216 HydrophobicContact CE2-CD1 4.15Å; F8-F216 HydrophobicContact CE2-CE1 4.06Å; F8-L219 HydrophobicContact CE2-CD1 4.42Å; F8-L219 HydrophobicContact CZ-CD1 3.85Å
9A98.5Very high84.2Confident0 Ų031.9 Ų31.90%019%0.189CC..EExtended strand (participates in β ladder)trans-138.9147.3174.500000110.1S78 L79 V172 L179 F208 V209A9-S78 CarbonylContact C-O 3.59Å; A9-S78 WeakPolarHBondContact CA-O 3.35Å; A9-S78 WeakPolarHBondContact CB-O 3.49Å; A9-L79 HydrophobicContact CB-CD1 3.71Å; A9-V172 HydrophobicContact CB-CB 4.45Å; A9-V172 HydrophobicContact CB-CG1 3.64Å; A9-L179 HydrophobicContact CB-CD1 3.83Å; A9-L179 HydrophobicContact CB-CD2 4.25Å; A9-F208 CarbonylContact O-C 3.53Å; A9-F208 WeakPolarHBondContact O-CA 3.14Å; A9-F208 WeakPolarHBondContact O-CB 3.46Å; A9-V209 PolarHBondContact N-O 3.15Å; A9-V209 PolarHBondContact O-N 2.88Å
10A97.5Very high84.8Confident1 Ų130.4 Ų30.41%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-136.8144.8178.100000111.3F8 I23 A77 S78 W207 F208F8-A10 HydrophobicContact CE1-CB 4.23Å; A10-I23 HydrophobicContact CB-CB 4.32Å; A10-I23 HydrophobicContact CB-CG2 3.8Å; A10-A77 CarbonylContact O-C 3.54Å; A10-A77 WeakPolarHBondContact O-CA 3.5Å; A10-S78 PolarHBondContact N-O 3.05Å; A10-S78 PolarHBondContact O-N 3.08Å; A10-S78 PolarHBondContact O-OG 3.38Å; A10-W207 WeakPolarHBondContact CA-O 3.46Å; A10-F208 HydrophobicContact CB-CB 4.38Å
11I97Very high85.3Confident4 Ų428.9 Ų28.92%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-130.1134.2168.8-172.2161.7000109.5V76 A77 D177 L179 A206 W207 A238I11-V76 WeakPolarHBondContact CA-O 3.33Å; I11-A77 HydrophobicContact CB-CB 4.48Å; I11-A77 HydrophobicContact CD1-CB 4.37Å; I11-A77 HydrophobicContact CG1-CB 4.27Å; I11-D177 WeakPolarHBondContact CD1-O 3.49Å; I11-L179 HydrophobicContact CB-CD1 4.02Å; I11-L179 HydrophobicContact CB-CG 4.26Å; I11-L179 HydrophobicContact CG2-CD1 4.06Å; I11-L179 HydrophobicContact CG2-CG 4.46Å; I11-A206 CarbonylContact O-C 3.59Å; I11-A206 VanDerWaalsContact O-CA 3.24Å; I11-A206 WeakPolarHBondContact O-CA 3.45Å; I11-A206 WeakPolarHBondContact O-CB 3.43Å; I11-W207 HydrophobicContact CG2-CB 4.08Å; I11-W207 PolarHBondContact N-O 2.99Å; I11-W207 PolarHBondContact O-N 2.9Å; I11-A238 HydrophobicContact CG1-CB 4.37Å
12T94.9Very high87.8Confident5 Ų531.3 Ų31.33%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-119.9143.4-175.7-176.20000112.7V14 P15 V18 A20 V76 L205T12-V14 PolarHBondContact OG1-N 3.1Å; T12-V14 VanDerWaalsContact OG1-N 3.13Å; T12-P15 HydrophobicContact CG2-CB 4.03Å; T12-V18 WeakPolarHBondContact CG2-O 3.32Å; T12-V18 WeakPolarHBondContact OG1-CB 3.3Å; T12-A20 HydrophobicContact CG2-CB 4.37Å; T12-V76 WeakPolarHBondContact CG2-O 3.13Å; T12-V76 PolarHBondContact N-O 2.78Å; T12-L205 WeakPolarHBondContact CA-O 3.43Å; T12-L205 PolarHBondContact OG1-O 2.89Å
13K90.6Very high89.8Confident94 Ų9428.7 Ų28.741%0.40917%0.17SC..SBendtrans-80.2-22.9171.6-171.4-178.6174.1-169.50112.5D203 L205 A238K13-D203 IonicContact NZ-OD2 2.84Å; K13-L205 PolarHBondContact N-O 3.38Å; K13-A238 HydrophobicContact CB-CB 4.14Å
14V88.3Confident91.7Very high45 Ų4527.5 Ų27.527%0.27317%0.165SC..  trans-135.570.3-169.9-72.10000111.2T12 A16 V17 V18 L205T12-V14 PolarHBondContact OG1-N 3.1Å; T12-V14 VanDerWaalsContact OG1-N 3.13Å; V14-A16 PolarHBondContact O-N 3.37Å; V14-V17 HydrophobicContact CB-CB 4.3Å; V14-V17 HydrophobicContact CB-CG2 4.39Å; V14-V17 HydrophobicContact CG2-CB 4.07Å; V14-V17 PolarHBondContact O-N 2.92Å; V14-V18 HydrophobicContact CG2-CB 4.43Å; V14-V18 HydrophobicContact CG2-CG2 4.13Å; V14-V18 PolarHBondContact O-N 3.38Å; V14-L205 HydrophobicContact CG2-CB 4Å; V14-L205 HydrophobicContact CG2-CD2 3.92Å; V14-L205 HydrophobicContact CG2-CG 4.39Å
15P84.1Confident92.9Very high59 Ų5929.6 Ų29.638%0.38317%0.173SC..THydrogen-bonded Turntrans-59.1-22.8-174.224.7-36.5000114.3T12 V17 V18 V76T12-P15 HydrophobicContact CG2-CB 4.03Å; P15-V17 VanDerWaalsContact C-N 3.28Å; P15-V17 PolarHBondContact O-N 3.44Å; P15-V18 WeakPolarHBondContact CA-O 3.49Å; P15-V76 HydrophobicContact CB-CG1 4.16Å; P15-V76 HydrophobicContact CG-CG1 3.99Å
16A82.6Confident93.1Very high105 Ų10532 Ų3287%0.86818%0.184SC*.THydrogen-bonded Turntrans-71.1-21174.600000113.8V14V14-A16 PolarHBondContact O-N 3.37Å
17V83.8Confident93.2Very high114 Ų11432 Ų3269%0.69118%0.184SC*.THydrogen-bonded Turntrans-108.3-36.7-179.4-177.90000110.6V14 P15V14-V17 HydrophobicContact CB-CB 4.3Å; V14-V17 HydrophobicContact CB-CG2 4.39Å; V14-V17 HydrophobicContact CG2-CB 4.07Å; V14-V17 PolarHBondContact O-N 2.92Å; P15-V17 VanDerWaalsContact C-N 3.28Å; P15-V17 PolarHBondContact O-N 3.44Å
18V87.1Confident93.2Very high12 Ų1232 Ų327%0.07318%0.184CC..SBendtrans-124.8105.4-173.3177.70000109.5T12 V14 P15 A20 I23 L196 L205 A206T12-V18 WeakPolarHBondContact CG2-O 3.32Å; T12-V18 WeakPolarHBondContact OG1-CB 3.3Å; V14-V18 HydrophobicContact CG2-CB 4.43Å; V14-V18 HydrophobicContact CG2-CG2 4.13Å; V14-V18 PolarHBondContact O-N 3.38Å; P15-V18 WeakPolarHBondContact CA-O 3.49Å; V18-A20 PolarHBondContact O-N 3.26Å; V18-I23 HydrophobicContact CG1-CD1 3.19Å; V18-I23 HydrophobicContact CG1-CG1 4.21Å; V18-L196 HydrophobicContact CG1-CD2 4Å; V18-L196 HydrophobicContact CG2-CD2 4.17Å; V18-L205 HydrophobicContact CG2-CB 3.92Å; V18-L205 HydrophobicContact CG2-CD1 3.91Å; V18-A206 HydrophobicContact CG1-CB 4.08Å
19N91.6Very high93Very high23 Ų2334.9 Ų34.912%0.12320%0.199CC..  trans-80.4111.6178.5-178.6-14.6000110.5A21 E22 I23N19-A21 VanDerWaalsContact C-N 3.27Å; N19-A21 PolarHBondContact O-N 2.75Å; N19-A21 WeakPolarHBondContact OD1-CB 3.38Å; N19-A21 PolarHBondContact OD1-N 3.31Å; N19-E22 HydrophobicContact CB-CB 4.09Å; N19-E22 HydrophobicContact CB-CG 4.15Å; N19-E22 VanDerWaalsContact ND2-CD 3.32Å; N19-E22 WeakPolarHBondContact ND2-CG 3.45Å; N19-E22 PolarHBondContact ND2-OE1 2.95Å; N19-E22 PolarHBondContact O-N 2.78Å; N19-E22 PolarHBondContact OD1-N 3.25Å; N19-I23 PolarHBondContact O-N 3.36Å; N19-I23 VanDerWaalsContact O-N 3.09Å
20A94.7Very high92.8Very high1 Ų135 Ų351%0.00820%0.201CC..Hα-helixtrans-59-37.2-179.200000112.3T12 V18 I23 T24 S78T12-A20 HydrophobicContact CG2-CB 4.37Å; V18-A20 PolarHBondContact O-N 3.26Å; A20-I23 PolarHBondContact O-N 2.87Å; A20-T24 WeakPolarHBondContact O-CB 3.28Å; A20-T24 PolarHBondContact O-N 3.08Å; A20-T24 PolarHBondContact O-OG1 2.97Å; A20-S78 VanDerWaalsContact C-OG 3.25Å; A20-S78 WeakPolarHBondContact CB-OG 3.44Å; A20-S78 PolarHBondContact O-OG 2.92Å
21A95.3Very high92.8Very high0 Ų035 Ų350%020%0.2CC..Hα-helixtrans-66.3-40.9179.900000112.5N19 T24 Y25 V43 L72N19-A21 VanDerWaalsContact C-N 3.27Å; N19-A21 PolarHBondContact O-N 2.75Å; N19-A21 WeakPolarHBondContact OD1-CB 3.38Å; N19-A21 PolarHBondContact OD1-N 3.31Å; A21-T24 PolarHBondContact O-N 3.09Å; A21-Y25 WeakPolarHBondContact O-CB 3.42Å; A21-Y25 PolarHBondContact O-N 3.1Å; A21-V43 HydrophobicContact CB-CG1 3.94Å; A21-L72 HydrophobicContact CB-CB 3.7Å
22E94Very high92.7Very high86 Ų8636.2 Ų36.240%0.40221%0.206SC..Hα-helixtrans-67.6-43.6176.9-77.2169.7-147.800111.6N19 T24 Y25 L26N19-E22 HydrophobicContact CB-CB 4.09Å; N19-E22 HydrophobicContact CB-CG 4.15Å; N19-E22 VanDerWaalsContact ND2-CD 3.32Å; N19-E22 WeakPolarHBondContact ND2-CG 3.45Å; N19-E22 PolarHBondContact ND2-OE1 2.95Å; N19-E22 PolarHBondContact O-N 2.78Å; N19-E22 PolarHBondContact OD1-N 3.25Å; E22-T24 VanDerWaalsContact C-N 3.29Å; E22-T24 PolarHBondContact O-N 3.27Å; E22-Y25 WeakPolarHBondContact O-CB 3.33Å; E22-Y25 PolarHBondContact O-N 3.13Å; E22-L26 WeakPolarHBondContact O-CG 3.43Å; E22-L26 PolarHBondContact O-N 3.18Å
23I94.4Very high92.5Very high14 Ų1438 Ų387%0.07221%0.214CC..Hα-helixtrans-56.4-48.1173.3-71.7-173.5000110.1F8 A10 V18 N19 A20 Y25 L26 G27 L196 A206 F208 L219F8-I23 HydrophobicContact CE1-CG2 3.73Å; F8-I23 HydrophobicContact CZ-CG2 4.02Å; A10-I23 HydrophobicContact CB-CB 4.32Å; A10-I23 HydrophobicContact CB-CG2 3.8Å; V18-I23 HydrophobicContact CG1-CD1 3.19Å; V18-I23 HydrophobicContact CG1-CG1 4.21Å; N19-I23 PolarHBondContact O-N 3.36Å; N19-I23 VanDerWaalsContact O-N 3.09Å; A20-I23 PolarHBondContact O-N 2.87Å; I23-Y25 VanDerWaalsContact C-N 3.34Å; I23-Y25 PolarHBondContact O-N 2.61Å; I23-L26 PolarHBondContact O-N 3Å; I23-G27 PolarHBondContact O-N 2.88Å; I23-L196 HydrophobicContact CD1-CD2 3.89Å; I23-A206 HydrophobicContact CD1-CB 4.29Å; I23-F208 HydrophobicContact CG2-CD1 4.15Å; I23-L219 HydrophobicContact CB-CD2 4.38Å; I23-L219 HydrophobicContact CG1-CD2 4.31Å; I23-L219 HydrophobicContact CG2-CD1 3.82Å; I23-L219 HydrophobicContact CG2-CD2 4.07Å
24T97Very high92.6Very high0 Ų033.5 Ų33.50%020%0.195CC..Hα-helixtrans-64.2-39.2179.4-69.80000111.8F8 A20 A21 E22 G27 L28 I41 S78F8-T24 HydrophobicContact CD1-CG2 4.24Å; A20-T24 WeakPolarHBondContact O-CB 3.28Å; A20-T24 PolarHBondContact O-N 3.08Å; A20-T24 PolarHBondContact O-OG1 2.97Å; A21-T24 PolarHBondContact O-N 3.09Å; E22-T24 VanDerWaalsContact C-N 3.29Å; E22-T24 PolarHBondContact O-N 3.27Å; T24-G27 PolarHBondContact O-N 3.42Å; T24-L28 HydrophobicContact CG2-CD1 4.38Å; T24-L28 HydrophobicContact CG2-CG 4.31Å; T24-L28 WeakPolarHBondContact O-CB 3.48Å; T24-L28 VanDerWaalsContact O-CG 3.28Å; T24-L28 WeakPolarHBondContact O-CG 3.38Å; T24-L28 PolarHBondContact O-N 2.61Å; T24-I41 HydrophobicContact CG2-CD1 4.06Å; T24-I41 HydrophobicContact CG2-CG1 3.92Å; T24-I41 HydrophobicContact CG2-CG2 4.32Å; T24-S78 PolarHBondContact OG1-OG 3.23Å
25Y96.8Very high92.7Very high45 Ų4531.4 Ų31.418%0.17618%0.182CC..Hα-helixtrans-58.1-49.7173.2167.1-98.7000112.3A21 E22 I23 G27 L28 L29 V60 F64 L69A21-Y25 WeakPolarHBondContact O-CB 3.42Å; A21-Y25 PolarHBondContact O-N 3.1Å; E22-Y25 WeakPolarHBondContact O-CB 3.33Å; E22-Y25 PolarHBondContact O-N 3.13Å; I23-Y25 VanDerWaalsContact C-N 3.34Å; I23-Y25 PolarHBondContact O-N 2.61Å; Y25-G27 VanDerWaalsContact C-N 3.34Å; Y25-G27 PolarHBondContact O-N 2.94Å; Y25-L28 PolarHBondContact O-N 3.28Å; Y25-L29 HydrophobicContact CD1-CD1 4.14Å; Y25-L29 HydrophobicContact CE1-CD1 3.49Å; Y25-L29 VanDerWaalsContact CE1-CD1 3.49Å; Y25-L29 HydrophobicContact CE1-CG 4.35Å; Y25-L29 HydrophobicContact CE2-CD1 4.31Å; Y25-L29 HydrophobicContact CE2-CG 4.42Å; Y25-L29 WeakPolarHBondContact O-CG 3.29Å; Y25-L29 PolarHBondContact O-N 3.41Å; Y25-V60 HydrophobicContact CD2-CG1 3.68Å; Y25-V60 HydrophobicContact CE2-CG1 3.75Å; Y25-F64 HydrophobicContact CD2-CB 3.78Å; Y25-F64 HydrophobicContact CD2-CD2 4.01Å; Y25-F64 HydrophobicContact CD2-CG 4.13Å; Y25-F64 HydrophobicContact CE2-CB 3.83Å; Y25-F64 HydrophobicContact CE2-CD2 4.43Å; Y25-L69 HydrophobicContact CD1-CD1 4.15Å; Y25-L69 HydrophobicContact CD2-CD1 4.14Å; Y25-L69 HydrophobicContact CD2-CD2 4.04Å; Y25-L69 HydrophobicContact CE1-CD1 4.35Å; Y25-L69 HydrophobicContact CE2-CD1 4.31Å; Y25-L69 HydrophobicContact CG-CD1 4.04Å; Y25-L69 HydrophobicContact CG-CD2 3.99Å
26L95.9Very high93Very high63 Ų6331 Ų3133%0.3318%0.175SC..Hα-helixtrans-64.1-39.2178.1-67.3175.8000111.9E22 I23 L29 G30 L219E22-L26 WeakPolarHBondContact O-CG 3.43Å; E22-L26 PolarHBondContact O-N 3.18Å; I23-L26 PolarHBondContact O-N 3Å; L26-L29 HydrophobicContact CD2-CD1 4.32Å; L26-L29 WeakPolarHBondContact O-CB 3.16Å; L26-L29 PolarHBondContact O-N 2.94Å; L26-G30 PolarHBondContact O-N 3.46Å; L26-L219 HydrophobicContact CB-CD2 3.82Å; L26-L219 HydrophobicContact CD1-CD2 3.88Å
27G96.6Very high93.3Very high0 Ų027.5 Ų27.50%014%0.141CC..Hα-helixtrans-61.8-45.417400000112.4F8 I23 T24 Y25 L29 G30 L31F8-G27 VanDerWaalsContact CD2-CA 3.49Å; I23-G27 PolarHBondContact O-N 2.88Å; T24-G27 PolarHBondContact O-N 3.42Å; Y25-G27 VanDerWaalsContact C-N 3.34Å; Y25-G27 PolarHBondContact O-N 2.94Å; G27-L29 VanDerWaalsContact C-N 3.35Å; G27-L29 PolarHBondContact O-N 3.36Å; G27-G30 WeakPolarHBondContact O-CA 3.38Å; G27-G30 PolarHBondContact O-N 3.14Å; G27-G30 VanDerWaalsContact O-N 3.1Å; G27-L31 WeakPolarHBondContact O-CG 3.49Å; G27-L31 PolarHBondContact O-N 3.19Å; G27-L31 VanDerWaalsContact O-N 3.08Å
28L97.1Very high93.7Very high0 Ų022.1 Ų22.10%011%0.108CC..Hα-helixtrans-65.7-34.4176-69.7-174.9000112.8F8 T24 Y25 G30 L31 Q32 I41 V60 V82F8-L28 HydrophobicContact CB-CD2 3.79Å; F8-L28 HydrophobicContact CB-CG 4.31Å; T24-L28 HydrophobicContact CG2-CD1 4.38Å; T24-L28 HydrophobicContact CG2-CG 4.31Å; T24-L28 WeakPolarHBondContact O-CB 3.48Å; T24-L28 VanDerWaalsContact O-CG 3.28Å; T24-L28 WeakPolarHBondContact O-CG 3.38Å; T24-L28 PolarHBondContact O-N 2.61Å; Y25-L28 PolarHBondContact O-N 3.28Å; L28-G30 VanDerWaalsContact C-N 3.29Å; L28-G30 PolarHBondContact O-N 3.19Å; L28-L31 CarbonylContact O-C 3.59Å; L28-L31 PolarHBondContact O-N 2.86Å; L28-L31 VanDerWaalsContact O-N 3.14Å; L28-Q32 PolarHBondContact O-N 3.47Å; L28-I41 HydrophobicContact CD1-CD1 4.24Å; L28-I41 HydrophobicContact CD1-CG1 3.85Å; L28-V60 HydrophobicContact CB-CG1 4.11Å; L28-V60 HydrophobicContact CB-CG2 3.88Å; L28-V82 HydrophobicContact CB-CG1 4.2Å; L28-V82 HydrophobicContact CD2-CG1 4.22Å
29L95.6Very high94.1Very high61 Ų6121.6 Ų21.632%0.31911%0.105SC..Hα-helixtrans-60.1-42.4170-74.4174.7000111.1Y25 L26 G27 L31 Q32 V60 N61Y25-L29 HydrophobicContact CD1-CD1 4.14Å; Y25-L29 HydrophobicContact CE1-CD1 3.49Å; Y25-L29 VanDerWaalsContact CE1-CD1 3.49Å; Y25-L29 HydrophobicContact CE1-CG 4.35Å; Y25-L29 HydrophobicContact CE2-CD1 4.31Å; Y25-L29 HydrophobicContact CE2-CG 4.42Å; Y25-L29 WeakPolarHBondContact O-CG 3.29Å; Y25-L29 PolarHBondContact O-N 3.41Å; L26-L29 HydrophobicContact CD2-CD1 4.32Å; L26-L29 WeakPolarHBondContact O-CB 3.16Å; L26-L29 PolarHBondContact O-N 2.94Å; G27-L29 VanDerWaalsContact C-N 3.35Å; G27-L29 PolarHBondContact O-N 3.36Å; L29-L31 PolarHBondContact O-N 2.82Å; L29-Q32 WeakPolarHBondContact O-CB 3.49Å; L29-Q32 PolarHBondContact O-N 3.43Å; L29-V60 HydrophobicContact CD2-CB 3.91Å; L29-V60 HydrophobicContact CD2-CG1 3.82Å; L29-V60 HydrophobicContact CG-CB 4.49Å; L29-V60 HydrophobicContact CG-CG1 3.93Å; L29-N61 HydrophobicContact CD2-CB 4.23Å
30G94.8Very high94.4Very high3 Ų320.5 Ų20.53%0.03110%0.099CC..Hα-helixtrans-61.8-27.4174.600000113.8L26 G27 L28 H33 R267L26-G30 PolarHBondContact O-N 3.46Å; G27-G30 WeakPolarHBondContact O-CA 3.38Å; G27-G30 PolarHBondContact O-N 3.14Å; G27-G30 VanDerWaalsContact O-N 3.1Å; L28-G30 VanDerWaalsContact C-N 3.29Å; L28-G30 PolarHBondContact O-N 3.19Å; G30-H33 PolarHBondContact O-CE1 2.86Å; G30-H33 PolarHBondContact O-ND1 2.82Å; G30-R267 PolarHBondContact O-NH1 2.78Å
31L96.2Very high94.6Very high0 Ų020.4 Ų20.40%010%0.098CC..THydrogen-bonded Turntrans-99.28177.4-59.7177.7000114I7 F8 G27 L28 L29 H33 R34 V82 S210 E212 A215I7-L31 WeakPolarHBondContact O-CD1 3.49Å; F8-L31 HydrophobicContact CB-CD1 4.16Å; G27-L31 WeakPolarHBondContact O-CG 3.49Å; G27-L31 PolarHBondContact O-N 3.19Å; G27-L31 VanDerWaalsContact O-N 3.08Å; L28-L31 CarbonylContact O-C 3.59Å; L28-L31 PolarHBondContact O-N 2.86Å; L28-L31 VanDerWaalsContact O-N 3.14Å; L29-L31 PolarHBondContact O-N 2.82Å; L31-H33 PolarHBondContact O-N 3.17Å; L31-R34 VanDerWaalsContact O-CB 3.27Å; L31-R34 WeakPolarHBondContact O-CB 3.39Å; L31-R34 PolarHBondContact O-N 2.93Å; L31-V82 HydrophobicContact CB-CG2 4.21Å; L31-S210 WeakPolarHBondContact CD1-OG 3.24Å; L31-E212 HydrophobicContact CD2-CB 3.72Å; L31-E212 HydrophobicContact CD2-CG 4.4Å; L31-A215 HydrophobicContact CD1-CB 4.44Å; L31-A215 HydrophobicContact CD2-CB 3.98Å; L31-A215 HydrophobicContact CG-CB 3.93Å
32Q94.5Very high94.7Very high30 Ų3020.4 Ų20.414%0.1410%0.098CC..G310 helixtrans-57.8-24.9-173.4-17671.488.200113.3L28 L29 R34 G35 Q36 L59 V60L28-Q32 PolarHBondContact O-N 3.47Å; L29-Q32 WeakPolarHBondContact O-CB 3.49Å; L29-Q32 PolarHBondContact O-N 3.43Å; Q32-R34 PolarHBondContact O-N 3.17Å; Q32-G35 PolarHBondContact NE2-O 3.24Å; Q32-G35 CarbonylContact O-C 3.55Å; Q32-G35 PolarHBondContact O-N 3.07Å; Q32-Q36 WeakPolarHBondContact O-CG 3.45Å; Q32-L59 HydrophobicContact CG-CD2 4.27Å; Q32-V60 VanDerWaalsContact OE1-CB 3.31Å; Q32-V60 VanDerWaalsContact OE1-CG2 3.28Å
33H91.8Very high94.8Very high42 Ų4216.4 Ų16.419%0.1948%0.08CC..G310 helixtrans-68.7-10.417464.7-74.9000114E3 G30 L31 E212 F265E3-H33 WeakPolarHBondContact CB-O 3.48Å; E3-H33 WeakPolarHBondContact CG-O 3.31Å; G30-H33 PolarHBondContact O-CE1 2.86Å; G30-H33 PolarHBondContact O-ND1 2.82Å; L31-H33 PolarHBondContact O-N 3.17Å; H33-E212 IonicContact CD2-OE1 2.76Å; H33-E212 IonicContact CE1-OE1 2.74Å; H33-E212 PolarHBondContact CE1-OE1 2.74Å; H33-E212 IonicContact NE2-OE1 3.05Å; H33-E212 PolarHBondContact NE2-OE1 3.08Å; H33-E212 IonicContact NE2-OE2 3.15Å; H33-F265 PolarHBondContact CD2-O 2.99Å
34R93Very high94.9Very high1 Ų115.8 Ų15.80%0.0048%0.077CC..G310 helixtrans-86.1-22.9174.2-77.4-160.5174.3-85.9-11.3113.3E3 A4 C5 L31 Q32 V82 E212 E261 Y272E3-R34 VanDerWaalsContact CB-O 3.31Å; E3-R34 WeakPolarHBondContact CB-O 3.4Å; A4-R34 CarbonylContact C-O 3.37Å; A4-R34 PolarHBondContact N-O 2.9Å; A4-R34 CarbonylContact O-C 3.52Å; A4-R34 VanDerWaalsContact O-C 3.31Å; A4-R34 VanDerWaalsContact O-CA 3.29Å; A4-R34 WeakPolarHBondContact O-CA 3.48Å; A4-R34 WeakPolarHBondContact O-CB 3.2Å; C5-R34 WeakPolarHBondContact O-CD 3.29Å; L31-R34 VanDerWaalsContact O-CB 3.27Å; L31-R34 WeakPolarHBondContact O-CB 3.39Å; L31-R34 PolarHBondContact O-N 2.93Å; Q32-R34 PolarHBondContact O-N 3.17Å; R34-V82 HydrophobicContact CB-CG2 4.17Å; R34-E212 IonicContact CZ-OE1 2.7Å; R34-E212 IonicContact NE-OE1 3.52Å; R34-E212 PolarHBondContact NE-OE1 3.23Å; R34-E212 IonicContact NH2-OE1 3.27Å; R34-E212 PolarHBondContact NH2-OE1 3.42Å; R34-E212 IonicContact NH2-OE2 2.65Å; R34-E261 IonicContact CZ-OE1 3.25Å; R34-E261 IonicContact CZ-OE2 2.68Å; R34-E261 IonicContact NH1-OE1 3.46Å; R34-E261 PolarHBondContact NH1-OE1 2.83Å; R34-E261 IonicContact NH1-OE2 2.73Å; R34-E261 PolarHBondContact NH1-OE2 3.05Å; R34-E261 IonicContact NH2-OE1 3.68Å; R34-E261 IonicContact NH2-OE2 3.62Å; R34-E261 PolarHBondContact NH2-OE2 3.48Å; R34-Y272 PolarHBondContact NH2-OH 2.84Å
35G90.4Very high94.8Very high0 Ų018 Ų180%09%0.088CC..  trans-167.9135.6179.800000112.5Q32 R83Q32-G35 PolarHBondContact NE2-O 3.24Å; Q32-G35 CarbonylContact O-C 3.55Å; Q32-G35 PolarHBondContact O-N 3.07Å; G35-R83 CarbonylContact C-O 3.38Å; G35-R83 WeakPolarHBondContact CA-O 3.45Å
36Q89.8Confident94.5Very high50 Ų5016.7 Ų16.723%0.2349%0.089CC..SBendtrans-128.14.3-174.4-61.4-177.522.800112.8E3 Q32 L59 R83 R349E3-Q36 PolarHBondContact OE1-NE2 3.29Å; E3-Q36 PolarHBondContact OE2-NE2 2.96Å; Q32-Q36 WeakPolarHBondContact O-CG 3.45Å; Q36-L59 HydrophobicContact CB-CD2 3.71Å; Q36-L59 HydrophobicContact CG-CD2 3.84Å; Q36-R83 PolarHBondContact N-O 3.14Å; Q36-R349 VanDerWaalsContact CD-CZ 3.45Å; Q36-R349 VanDerWaalsContact OE1-CZ 3.27Å
37E88.5Confident94.2Very high33 Ų3319.9 Ų19.915%0.15411%0.111CC..SBendtrans-91-36.6-175.3-64.8176.7177.600112.1F57 G58 R83 Y84 S85E37-F57 CarbonylContact O-C 3.54Å; E37-F57 WeakPolarHBondContact O-CA 3.43Å; E37-G58 PolarHBondContact O-N 3.23Å; E37-R83 PolarHBondContact N-O 3.49Å; E37-Y84 HydrophobicContact CG-CD2 4.44Å; E37-Y84 WeakPolarHBondContact OE1-CE2 3.31Å; E37-S85 WeakPolarHBondContact OE2-CA 3.39Å; E37-S85 WeakPolarHBondContact OE2-CB 3.48Å; E37-S85 PolarHBondContact OE2-N 3.3Å
38S92.6Very high93.4Very high1 Ų121.3 Ų21.31%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-156.9160.5175.251.50000111.5E56 G58 R83S38-E56 VanDerWaalsContact CA-O 3.32Å; S38-E56 WeakPolarHBondContact CA-O 3.47Å; S38-E56 WeakPolarHBondContact CB-O 3.36Å; S38-G58 CarbonylContact C-O 3.54Å; S38-G58 WeakPolarHBondContact CA-O 3.47Å; S38-R83 PolarHBondContact O-N 3.4Å; S38-R83 VanDerWaalsContact OG-CB 3.22Å; S38-R83 WeakPolarHBondContact OG-CB 3.02Å
39A96.1Very high92.7Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-138.5152173.200000110.5K55 E56 V60 V63 F64 H81 V82A39-K55 WeakPolarHBondContact O-CA 3.28Å; A39-E56 PolarHBondContact N-O 2.65Å; A39-E56 PolarHBondContact O-N 3.43Å; A39-V60 HydrophobicContact CB-CB 4.48Å; A39-V60 HydrophobicContact CB-CG2 3.83Å; A39-V63 HydrophobicContact CB-CB 4.3Å; A39-V63 HydrophobicContact CB-CG1 4.5Å; A39-V63 HydrophobicContact CB-CG2 4.07Å; A39-F64 HydrophobicContact CB-CE2 3.89Å; A39-H81 VanDerWaalsContact CA-O 3.29Å; A39-H81 WeakPolarHBondContact CA-O 3.23Å; A39-V82 HydrophobicContact CB-CG1 4.24Å
40G97.3Very high92.4Very high0 Ų029.4 Ų29.40%016%0.161CC..EExtended strand (participates in β ladder)trans-153.1145179.400000112.3V54 G80 H81 Q97G40-V54 CarbonylContact C-O 3.52Å; G40-V54 VanDerWaalsContact CA-O 3.28Å; G40-V54 WeakPolarHBondContact CA-O 3.14Å; G40-G80 CarbonylContact O-C 3.51Å; G40-G80 WeakPolarHBondContact O-CA 3.34Å; G40-H81 PolarHBondContact N-O 3.5Å; G40-H81 PolarHBondContact O-N 3.2Å; G40-Q97 WeakPolarHBondContact CA-O 3.38Å
41I98.2Very high92.4Very high0 Ų029.7 Ų29.70%016%0.161CC..EExtended strand (participates in β ladder)trans-130.7134.7172.2-64.3173.5000108.3T24 L28 V43 S53 V54 F64 L72 L79T24-I41 HydrophobicContact CG2-CD1 4.06Å; T24-I41 HydrophobicContact CG2-CG1 3.92Å; T24-I41 HydrophobicContact CG2-CG2 4.32Å; L28-I41 HydrophobicContact CD1-CD1 4.24Å; L28-I41 HydrophobicContact CD1-CG1 3.85Å; I41-V43 HydrophobicContact CG2-CG1 4.05Å; I41-S53 CarbonylContact O-C 3.48Å; I41-S53 WeakPolarHBondContact O-CA 3.03Å; I41-V54 PolarHBondContact N-O 3.38Å; I41-V54 PolarHBondContact O-N 2.95Å; I41-F64 HydrophobicContact CB-CE1 3.85Å; I41-F64 HydrophobicContact CB-CZ 3.92Å; I41-F64 HydrophobicContact CD1-CD1 4.21Å; I41-F64 HydrophobicContact CD1-CD2 4.35Å; I41-F64 HydrophobicContact CD1-CE1 3.82Å; I41-F64 HydrophobicContact CD1-CE2 4Å; I41-F64 HydrophobicContact CD1-CG 4.48Å; I41-F64 HydrophobicContact CD1-CZ 3.74Å; I41-F64 HydrophobicContact CG1-CE1 3.8Å; I41-F64 HydrophobicContact CG1-CE2 4.06Å; I41-F64 HydrophobicContact CG1-CZ 3.48Å; I41-F64 VanDerWaalsContact CG1-CZ 3.48Å; I41-L72 HydrophobicContact CB-CD1 4.01Å; I41-L72 HydrophobicContact CG2-CD1 3.9Å; I41-L79 CarbonylContact C-O 3.49Å; I41-L79 WeakPolarHBondContact CA-O 3.5Å
42V97.6Very high92.4Very high0 Ų034.2 Ų34.20%018%0.178CC..EExtended strand (participates in β ladder)trans-118.7140.6170.3-175.10000108F51 R52 S78 L79 P98 I100 A109 M174V42-F51 HydrophobicContact CG1-CB 3.62Å; V42-F51 HydrophobicContact CG1-CD2 3.81Å; V42-F51 HydrophobicContact CG1-CG 4.1Å; V42-R52 CarbonylContact C-O 3.59Å; V42-R52 VanDerWaalsContact CA-O 3.32Å; V42-R52 WeakPolarHBondContact CA-O 3.39Å; V42-S78 CarbonylContact O-C 3.56Å; V42-S78 VanDerWaalsContact O-CA 3.26Å; V42-S78 WeakPolarHBondContact O-CA 3.32Å; V42-L79 PolarHBondContact N-O 2.93Å; V42-L79 PolarHBondContact O-N 3.37Å; V42-P98 HydrophobicContact CB-CG 4.44Å; V42-P98 HydrophobicContact CG2-CB 3.78Å; V42-P98 HydrophobicContact CG2-CG 3.82Å; V42-I100 HydrophobicContact CB-CD1 4.47Å; V42-I100 HydrophobicContact CG1-CD1 3.67Å; V42-I100 HydrophobicContact CG1-CG1 4.03Å; V42-I100 HydrophobicContact CG2-CD1 3.86Å; V42-I100 HydrophobicContact CG2-CG1 4Å; V42-A109 HydrophobicContact CB-CB 4.27Å; V42-A109 HydrophobicContact CG1-CB 3.96Å; V42-A109 HydrophobicContact CG2-CB 4.49Å; V42-M174 HydrophobicContact CB-CE 4.2Å; V42-M174 HydrophobicContact CG1-CE 3.73Å
43V97.4Very high92.5Very high2 Ų235.3 Ų35.31%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-128.6146.3177.4-58.70000112A21 I41 F51 R52 L72 A77A21-V43 HydrophobicContact CB-CG1 3.94Å; I41-V43 HydrophobicContact CG2-CG1 4.05Å; V43-F51 WeakPolarHBondContact O-CA 3.31Å; V43-F51 WeakPolarHBondContact O-CB 3.38Å; V43-R52 HydrophobicContact CG2-CB 3.76Å; V43-R52 PolarHBondContact N-O 2.95Å; V43-R52 PolarHBondContact O-N 2.95Å; V43-R52 VanDerWaalsContact O-N 3.11Å; V43-L72 HydrophobicContact CG1-CB 3.97Å; V43-L72 HydrophobicContact CG1-CD2 4.41Å; V43-L72 HydrophobicContact CG2-CB 4.15Å; V43-L72 HydrophobicContact CG2-CD2 3.86Å; V43-A77 CarbonylContact C-O 3.38Å; V43-A77 VanDerWaalsContact CA-O 3.29Å; V43-A77 WeakPolarHBondContact CA-O 3.18Å
44S96.2Very high92.7Very high1 Ų134.2 Ų34.21%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-115.7144169.4-175.80000110.6G46 F51 G75 V76 A77 A176S44-G46 VanDerWaalsContact C-N 3.33Å; S44-G46 PolarHBondContact OG-N 3.36Å; S44-G46 VanDerWaalsContact OG-N 3.16Å; S44-F51 WeakPolarHBondContact OG-CE1 3.45Å; S44-G75 CarbonylContact O-C 3.57Å; S44-G75 WeakPolarHBondContact O-CA 3.36Å; S44-V76 PolarHBondContact O-N 2.99Å; S44-A77 PolarHBondContact N-O 3.27Å; S44-A77 PolarHBondContact O-N 3.4Å; S44-A176 WeakPolarHBondContact CB-O 3.48Å; S44-A176 WeakPolarHBondContact OG-CA 3.48Å; S44-A176 PolarHBondContact OG-O 3.49Å
45D93.8Very high92.8Very high45 Ų4536.3 Ų36.324%0.24119%0.194CC..  trans-88.65.4171.965.5-2.4000113.5V47 S48D45-V47 VanDerWaalsContact C-N 3.27Å; D45-V47 PolarHBondContact O-N 3.35Å; D45-V47 PolarHBondContact OD1-N 2.87Å; D45-S48 WeakPolarHBondContact OD1-CA 3.21Å; D45-S48 VanDerWaalsContact OD1-CB 3.24Å; D45-S48 WeakPolarHBondContact OD1-CB 3.27Å; D45-S48 PolarHBondContact OD1-N 3.39Å; D45-S48 PolarHBondContact OD1-OG 3.1Å; D45-S48 VanDerWaalsContact OD2-CB 3.29Å; D45-S48 WeakPolarHBondContact OD2-CB 3.34Å; D45-S48 PolarHBondContact OD2-OG 3.13Å
46G92.3Very high93.1Very high19 Ų1939.9 Ų39.920%0.19621%0.211CC..SBendtrans89.4-21.7176.500000114.8S44 A176S44-G46 VanDerWaalsContact C-N 3.33Å; S44-G46 PolarHBondContact OG-N 3.36Å; S44-G46 VanDerWaalsContact OG-N 3.16Å; G46-A176 VanDerWaalsContact CA-O 3.24Å; G46-A176 WeakPolarHBondContact CA-O 3.31Å
47V87.8Confident93.2Very high129 Ų12941.8 Ų41.878%0.78222%0.219SC*.SBendtrans-131.1-31.7-167.1-70.30000113.6D45D45-V47 VanDerWaalsContact C-N 3.27Å; D45-V47 PolarHBondContact O-N 3.35Å; D45-V47 PolarHBondContact OD1-N 2.87Å
48S81.1Confident93.3Very high31 Ų3141.3 Ų41.322%0.21722%0.222CC..  trans-83.4150.4-177.274.50000111.6D45 H50D45-S48 WeakPolarHBondContact OD1-CA 3.21Å; D45-S48 VanDerWaalsContact OD1-CB 3.24Å; D45-S48 WeakPolarHBondContact OD1-CB 3.27Å; D45-S48 PolarHBondContact OD1-N 3.39Å; D45-S48 PolarHBondContact OD1-OG 3.1Å; D45-S48 VanDerWaalsContact OD2-CB 3.29Å; D45-S48 WeakPolarHBondContact OD2-CB 3.34Å; D45-S48 PolarHBondContact OD2-OG 3.13Å; S48-H50 PolarHBondContact O-N 3.42Å; S48-H50 VanDerWaalsContact O-N 3.14Å; S48-H50 PolarHBondContact OG-N 3Å; S48-H50 PolarHBondContact OG-O 3.22Å; S48-H50 VanDerWaalsContact OG-O 3.06Å
49N82.2Confident93.3Very high120 Ų12043.6 Ų43.664%0.64223%0.234SC*.SBendtrans-80.627.5167.7-74.2-29.5000112.1Y102N49-Y102 WeakPolarHBondContact O-CE1 3.49Å
50H89.3Confident93.3Very high111 Ų11143.6 Ų43.651%0.51423%0.234SC..  trans-136.3119.6-179-169.572.1000111.8S48S48-H50 PolarHBondContact O-N 3.42Å; S48-H50 VanDerWaalsContact O-N 3.14Å; S48-H50 PolarHBondContact OG-N 3Å; S48-H50 PolarHBondContact OG-O 3.22Å; S48-H50 VanDerWaalsContact OG-O 3.06Å
51F95.2Very high93.2Very high8 Ų848 Ų484%0.03526%0.258CS..  trans-96.8134.6175.7-68.7-2.9000110.1V42 V43 S44 I100 I107 A109 M174V42-F51 HydrophobicContact CG1-CB 3.62Å; V42-F51 HydrophobicContact CG1-CD2 3.81Å; V42-F51 HydrophobicContact CG1-CG 4.1Å; V43-F51 WeakPolarHBondContact O-CA 3.31Å; V43-F51 WeakPolarHBondContact O-CB 3.38Å; S44-F51 WeakPolarHBondContact OG-CE1 3.45Å; F51-I100 HydrophobicContact CB-CD1 4.37Å; F51-I107 HydrophobicContact CB-CD1 3.85Å; F51-I107 HydrophobicContact CD1-CD1 4.04Å; F51-I107 HydrophobicContact CD1-CG1 4.39Å; F51-I107 HydrophobicContact CD1-CG2 3.78Å; F51-I107 HydrophobicContact CD2-CD1 3.98Å; F51-I107 HydrophobicContact CD2-CG1 3.91Å; F51-I107 HydrophobicContact CD2-CG2 4.49Å; F51-I107 HydrophobicContact CE1-CB 4.49Å; F51-I107 HydrophobicContact CE1-CG2 3.35Å; F51-I107 HydrophobicContact CE2-CG1 4.09Å; F51-I107 HydrophobicContact CE2-CG2 4.18Å; F51-I107 HydrophobicContact CG-CD1 3.69Å; F51-I107 HydrophobicContact CG-CG1 4.08Å; F51-I107 HydrophobicContact CG-CG2 4.33Å; F51-I107 HydrophobicContact CZ-CB 4.46Å; F51-I107 HydrophobicContact CZ-CG1 4.4Å; F51-I107 HydrophobicContact CZ-CG2 3.61Å; F51-A109 HydrophobicContact CD2-CB 3.97Å; F51-A109 HydrophobicContact CE2-CB 4.02Å; F51-M174 HydrophobicContact CD2-CE 3.65Å; F51-M174 HydrophobicContact CE2-CE 3.6Å; F51-M174 HydrophobicContact CG-CE 4.18Å; F51-M174 HydrophobicContact CZ-CE 4.12Å
52R95.5Very high93Very high95 Ų9557.5 Ų57.536%0.35829%0.294SS..EExtended strand (participates in β ladder)trans-87.3144.9170.7-58.3-173.8-171.296.78.8108.9V42 V43 S71 L72V42-R52 CarbonylContact C-O 3.59Å; V42-R52 VanDerWaalsContact CA-O 3.32Å; V42-R52 WeakPolarHBondContact CA-O 3.39Å; V43-R52 HydrophobicContact CG2-CB 3.76Å; V43-R52 PolarHBondContact N-O 2.95Å; V43-R52 PolarHBondContact O-N 2.95Å; V43-R52 VanDerWaalsContact O-N 3.11Å; R52-S71 WeakPolarHBondContact CD-O 3.16Å; R52-L72 HydrophobicContact CB-CD2 3.94Å
53S95.9Very high92.9Very high53 Ų5357.5 Ų57.537%0.37129%0.294SS..EExtended strand (participates in β ladder)trans-148.9147.5178.970.40000113.5I41I41-S53 CarbonylContact O-C 3.48Å; I41-S53 WeakPolarHBondContact O-CA 3.03Å
54V97Very high92.8Very high19 Ų1957.6 Ų57.612%0.11529%0.294CS..EExtended strand (participates in β ladder)trans-127.7125.9167.9171.50000107.4G40 I41 V63 F64 K68 L72G40-V54 CarbonylContact C-O 3.52Å; G40-V54 VanDerWaalsContact CA-O 3.28Å; G40-V54 WeakPolarHBondContact CA-O 3.14Å; I41-V54 PolarHBondContact N-O 3.38Å; I41-V54 PolarHBondContact O-N 2.95Å; V54-V63 HydrophobicContact CG1-CG1 4.32Å; V54-F64 HydrophobicContact CB-CD1 4.3Å; V54-F64 HydrophobicContact CB-CE1 3.83Å; V54-F64 HydrophobicContact CG1-CD1 3.94Å; V54-F64 HydrophobicContact CG1-CE1 3.71Å; V54-K68 HydrophobicContact CG1-CB 4.31Å; V54-K68 HydrophobicContact CG1-CD 4.01Å; V54-K68 HydrophobicContact CG1-CG 4.32Å; V54-K68 HydrophobicContact CG2-CB 4.35Å; V54-L72 HydrophobicContact CB-CD1 4.24Å; V54-L72 HydrophobicContact CG2-CD1 4.15Å; V54-L72 HydrophobicContact CG2-CD2 4.26Å; V54-L72 HydrophobicContact CG2-CG 4.28Å
55K95.6Very high92.7Very high46 Ų4661.6 Ų61.620%0.232%0.315CS..EExtended strand (participates in β ladder)trans-145.7123.8-177-54.9178-156.5166.10109A39 V96 P98A39-K55 WeakPolarHBondContact O-CA 3.28Å; K55-V96 HydrophobicContact CB-CB 4.35Å; K55-V96 HydrophobicContact CB-CG1 3.85Å; K55-P98 WeakPolarHBondContact CE-O 3.23Å; K55-P98 PolarHBondContact NZ-O 2.91Å
56E95Very high92.7Very high75 Ų7565.3 Ų65.335%0.3533%0.331SS..EExtended strand (participates in β ladder)trans-149168179.1-63.2-178.5-173.200111.6S38 A39 V63 K68S38-E56 VanDerWaalsContact CA-O 3.32Å; S38-E56 WeakPolarHBondContact CA-O 3.47Å; S38-E56 WeakPolarHBondContact CB-O 3.36Å; A39-E56 PolarHBondContact N-O 2.65Å; A39-E56 PolarHBondContact O-N 3.43Å; E56-V63 HydrophobicContact CB-CB 4.4Å; E56-V63 HydrophobicContact CB-CG1 3.92Å; E56-V63 HydrophobicContact CB-CG2 3.94Å; E56-V63 HydrophobicContact CG-CG1 4.44Å; E56-K68 WeakPolarHBondContact OE1-CE 3.49Å; E56-K68 IonicContact OE1-NZ 3.99Å; E56-K68 PolarHBondContact OE1-NZ 3.4Å; E56-K68 IonicContact OE2-NZ 3.59Å; E56-K68 PolarHBondContact OE2-NZ 2.85Å
57F92.5Very high92.8Very high90 Ų9067.9 Ų67.940%0.39535%0.35SS..EExtended strand (participates in β ladder)trans-74.3147.2170.4-66-74.6000111.8E37 L93 V96E37-F57 CarbonylContact O-C 3.54Å; E37-F57 WeakPolarHBondContact O-CA 3.43Å; F57-L93 HydrophobicContact CD2-CD1 4.17Å; F57-L93 HydrophobicContact CE2-CB 4.11Å; F57-L93 HydrophobicContact CE2-CD1 4.02Å; F57-V96 HydrophobicContact CE1-CG2 4.23Å; F57-V96 HydrophobicContact CZ-CG2 4.47Å
58G91.4Very high93.2Very high22 Ų2264 Ų6423%0.22732%0.323CS..SBendtrans109.3-170.3176.100000114.4E37 S38E37-G58 PolarHBondContact O-N 3.23Å; S38-G58 CarbonylContact C-O 3.54Å; S38-G58 WeakPolarHBondContact CA-O 3.47Å
59L92.8Very high93.8Very high50 Ų5063.1 Ų63.126%0.26232%0.316SS..  trans-71.2152.3179.3-58.1175.9000110.8Q32 Q36 N61 R62 V63Q32-L59 HydrophobicContact CG-CD2 4.27Å; Q36-L59 HydrophobicContact CB-CD2 3.71Å; Q36-L59 HydrophobicContact CG-CD2 3.84Å; L59-N61 VanDerWaalsContact C-N 3.28Å; L59-N61 VanDerWaalsContact CB-OD1 3.32Å; L59-N61 WeakPolarHBondContact CB-OD1 3.44Å; L59-N61 PolarHBondContact O-N 3.37Å; L59-R62 HydrophobicContact CB-CG 4.5Å; L59-R62 WeakPolarHBondContact O-CA 3.39Å; L59-R62 WeakPolarHBondContact O-CB 3.34Å; L59-R62 PolarHBondContact O-N 3.28Å; L59-V63 WeakPolarHBondContact O-CG2 3.35Å; L59-V63 PolarHBondContact O-N 2.84Å
60V95.9Very high94.3Very high0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-51.5-47.1-179.8175.30000111.1Y25 L28 L29 Q32 A39 R62 V63 F64 V82Y25-V60 HydrophobicContact CD2-CG1 3.68Å; Y25-V60 HydrophobicContact CE2-CG1 3.75Å; L28-V60 HydrophobicContact CB-CG1 4.11Å; L28-V60 HydrophobicContact CB-CG2 3.88Å; L29-V60 HydrophobicContact CD2-CB 3.91Å; L29-V60 HydrophobicContact CD2-CG1 3.82Å; L29-V60 HydrophobicContact CG-CB 4.49Å; L29-V60 HydrophobicContact CG-CG1 3.93Å; Q32-V60 VanDerWaalsContact OE1-CB 3.31Å; Q32-V60 VanDerWaalsContact OE1-CG2 3.28Å; A39-V60 HydrophobicContact CB-CB 4.48Å; A39-V60 HydrophobicContact CB-CG2 3.83Å; V60-R62 PolarHBondContact O-N 3.35Å; V60-V63 PolarHBondContact O-N 2.76Å; V60-F64 HydrophobicContact CG1-CD2 3.89Å; V60-F64 HydrophobicContact CG1-CE2 4.29Å; V60-F64 VanDerWaalsContact O-CD2 3.28Å; V60-F64 WeakPolarHBondContact O-CD2 3.33Å; V60-F64 PolarHBondContact O-N 3.29Å; V60-V82 HydrophobicContact CG2-CG1 3.34Å
61N94.2Very high94.6Very high92 Ų9259.5 Ų59.549%0.49230%0.302SS..Hα-helixtrans-68.5-16.3179.467.9-10.2000115L29 L59L29-N61 HydrophobicContact CD2-CB 4.23Å; L59-N61 VanDerWaalsContact C-N 3.28Å; L59-N61 VanDerWaalsContact CB-OD1 3.32Å; L59-N61 WeakPolarHBondContact CB-OD1 3.44Å; L59-N61 PolarHBondContact O-N 3.37Å
62R93.7Very high94.5Very high199 Ų19959.1 Ų59.175%0.75130%0.301SS*.Hα-helixtrans-92.4-34.9173.5-68.2-171.1176.9-169.8-1.7111.7L59 V60L59-R62 HydrophobicContact CB-CG 4.5Å; L59-R62 WeakPolarHBondContact O-CA 3.39Å; L59-R62 WeakPolarHBondContact O-CB 3.34Å; L59-R62 PolarHBondContact O-N 3.28Å; V60-R62 PolarHBondContact O-N 3.35Å
63V95.8Very high94.1Very high0 Ų056.2 Ų56.20%030%0.295CS..Hα-helixtrans-68.7-46.7177.5172.20000110.6A39 V54 E56 L59 V60 K68A39-V63 HydrophobicContact CB-CB 4.3Å; A39-V63 HydrophobicContact CB-CG1 4.5Å; A39-V63 HydrophobicContact CB-CG2 4.07Å; V54-V63 HydrophobicContact CG1-CG1 4.32Å; E56-V63 HydrophobicContact CB-CB 4.4Å; E56-V63 HydrophobicContact CB-CG1 3.92Å; E56-V63 HydrophobicContact CB-CG2 3.94Å; E56-V63 HydrophobicContact CG-CG1 4.44Å; L59-V63 WeakPolarHBondContact O-CG2 3.35Å; L59-V63 PolarHBondContact O-N 2.84Å; V60-V63 PolarHBondContact O-N 2.76Å; V63-K68 WeakPolarHBondContact O-CD 3.36Å; V63-K68 PolarHBondContact O-NZ 2.82Å
64F96.5Very high93.3Very high4 Ų461.1 Ų61.12%0.01831%0.31CS..  trans-106.8107.1-174.9-54.1-78.1000111.5Y25 A39 I41 V54 V60 L69 L72Y25-F64 HydrophobicContact CD2-CB 3.78Å; Y25-F64 HydrophobicContact CD2-CD2 4.01Å; Y25-F64 HydrophobicContact CD2-CG 4.13Å; Y25-F64 HydrophobicContact CE2-CB 3.83Å; Y25-F64 HydrophobicContact CE2-CD2 4.43Å; A39-F64 HydrophobicContact CB-CE2 3.89Å; I41-F64 HydrophobicContact CB-CE1 3.85Å; I41-F64 HydrophobicContact CB-CZ 3.92Å; I41-F64 HydrophobicContact CD1-CD1 4.21Å; I41-F64 HydrophobicContact CD1-CD2 4.35Å; I41-F64 HydrophobicContact CD1-CE1 3.82Å; I41-F64 HydrophobicContact CD1-CE2 4Å; I41-F64 HydrophobicContact CD1-CG 4.48Å; I41-F64 HydrophobicContact CD1-CZ 3.74Å; I41-F64 HydrophobicContact CG1-CE1 3.8Å; I41-F64 HydrophobicContact CG1-CE2 4.06Å; I41-F64 HydrophobicContact CG1-CZ 3.48Å; I41-F64 VanDerWaalsContact CG1-CZ 3.48Å; V54-F64 HydrophobicContact CB-CD1 4.3Å; V54-F64 HydrophobicContact CB-CE1 3.83Å; V54-F64 HydrophobicContact CG1-CD1 3.94Å; V54-F64 HydrophobicContact CG1-CE1 3.71Å; V60-F64 HydrophobicContact CG1-CD2 3.89Å; V60-F64 HydrophobicContact CG1-CE2 4.29Å; V60-F64 VanDerWaalsContact O-CD2 3.28Å; V60-F64 WeakPolarHBondContact O-CD2 3.33Å; V60-F64 PolarHBondContact O-N 3.29Å; F64-L69 HydrophobicContact CB-CD1 4.46Å; F64-L69 HydrophobicContact CB-CD2 3.9Å; F64-L69 HydrophobicContact CB-CG 3.99Å; F64-L69 HydrophobicContact CD1-CD2 4.23Å; F64-L69 HydrophobicContact CG-CD2 4.23Å; F64-L72 HydrophobicContact CE1-CD1 4.49Å
65N93.9Very high92.8Very high85 Ų8560.2 Ų60.246%0.45530%0.304SS..  trans-96.3173.6164.165.419.6000110.1A67 K68 L69N65-A67 VanDerWaalsContact C-N 3.32Å; N65-A67 PolarHBondContact O-N 2.89Å; N65-A67 PolarHBondContact OD1-N 3.07Å; N65-K68 PolarHBondContact O-N 2.82Å; N65-K68 VanDerWaalsContact O-N 3.13Å; N65-K68 WeakPolarHBondContact OD1-CB 3.39Å; N65-K68 VanDerWaalsContact OD1-CG 3.32Å; N65-K68 WeakPolarHBondContact OD1-CG 3.34Å; N65-K68 PolarHBondContact OD1-N 3.07Å; N65-L69 PolarHBondContact O-N 3.21Å
66E92.9Very high92.7Very high123 Ų12359.5 Ų59.558%0.57530%0.304SS*.Hα-helixtrans-51.7-48.9-179-170.359.7-141.400112.2K68 L69 Q70E66-K68 VanDerWaalsContact C-N 3.34Å; E66-K68 PolarHBondContact O-N 3Å; E66-L69 PolarHBondContact O-N 3.02Å; E66-Q70 HydrophobicContact CG-CG 4.4Å; E66-Q70 WeakPolarHBondContact O-CB 3.35Å; E66-Q70 VanDerWaalsContact O-CG 3.28Å; E66-Q70 WeakPolarHBondContact O-CG 3.5Å; E66-Q70 PolarHBondContact O-N 2.74Å; E66-Q70 PolarHBondContact OE1-NE2 3.37Å
67A95Very high92.8Very high73 Ų7356 Ų5660%0.60329%0.287SS*.Hα-helixtrans-60.3-42-179.300000112.8N65 Q70 S71N65-A67 VanDerWaalsContact C-N 3.32Å; N65-A67 PolarHBondContact O-N 2.89Å; N65-A67 PolarHBondContact OD1-N 3.07Å; A67-Q70 PolarHBondContact O-N 3.49Å; A67-S71 PolarHBondContact O-N 2.88Å; A67-S71 VanDerWaalsContact O-N 3.09Å
68K96Very high93.1Very high47 Ų4751.7 Ų51.720%0.20427%0.268CS..Hα-helixtrans-67.6-40.8176.8-74.4171173.1176.50111.6V54 E56 V63 N65 E66 S71V54-K68 HydrophobicContact CG1-CB 4.31Å; V54-K68 HydrophobicContact CG1-CD 4.01Å; V54-K68 HydrophobicContact CG1-CG 4.32Å; V54-K68 HydrophobicContact CG2-CB 4.35Å; E56-K68 WeakPolarHBondContact OE1-CE 3.49Å; E56-K68 IonicContact OE1-NZ 3.99Å; E56-K68 PolarHBondContact OE1-NZ 3.4Å; E56-K68 IonicContact OE2-NZ 3.59Å; E56-K68 PolarHBondContact OE2-NZ 2.85Å; V63-K68 WeakPolarHBondContact O-CD 3.36Å; V63-K68 PolarHBondContact O-NZ 2.82Å; N65-K68 PolarHBondContact O-N 2.82Å; N65-K68 VanDerWaalsContact O-N 3.13Å; N65-K68 WeakPolarHBondContact OD1-CB 3.39Å; N65-K68 VanDerWaalsContact OD1-CG 3.32Å; N65-K68 WeakPolarHBondContact OD1-CG 3.34Å; N65-K68 PolarHBondContact OD1-N 3.07Å; E66-K68 VanDerWaalsContact C-N 3.34Å; E66-K68 PolarHBondContact O-N 3Å; K68-S71 WeakPolarHBondContact O-CB 3.5Å; K68-S71 PolarHBondContact O-N 2.85Å; K68-S71 PolarHBondContact O-OG 2.99Å
69L94.1Very high93.4Very high13 Ų1350.6 Ų50.67%0.06826%0.258CS..Hα-helixtrans-64.6-43.4174.8-71.2173.9000111.6Y25 F64 N65 E66 S71 L72 S73Y25-L69 HydrophobicContact CD1-CD1 4.15Å; Y25-L69 HydrophobicContact CD2-CD1 4.14Å; Y25-L69 HydrophobicContact CD2-CD2 4.04Å; Y25-L69 HydrophobicContact CE1-CD1 4.35Å; Y25-L69 HydrophobicContact CE2-CD1 4.31Å; Y25-L69 HydrophobicContact CG-CD1 4.04Å; Y25-L69 HydrophobicContact CG-CD2 3.99Å; F64-L69 HydrophobicContact CB-CD1 4.46Å; F64-L69 HydrophobicContact CB-CD2 3.9Å; F64-L69 HydrophobicContact CB-CG 3.99Å; F64-L69 HydrophobicContact CD1-CD2 4.23Å; F64-L69 HydrophobicContact CG-CD2 4.23Å; N65-L69 PolarHBondContact O-N 3.21Å; E66-L69 PolarHBondContact O-N 3.02Å; L69-S71 PolarHBondContact O-N 3.47Å; L69-L72 WeakPolarHBondContact O-CA 3.42Å; L69-L72 WeakPolarHBondContact O-CB 3.46Å; L69-L72 PolarHBondContact O-N 3Å; L69-S73 PolarHBondContact O-N 2.92Å
70Q92.9Very high93.7Very high92 Ų9248.2 Ų48.243%0.4325%0.245SC..Hα-helixtrans-59.5-34.8176-72-61-24.900112.5E66 A67 L72 S73E66-Q70 HydrophobicContact CG-CG 4.4Å; E66-Q70 WeakPolarHBondContact O-CB 3.35Å; E66-Q70 VanDerWaalsContact O-CG 3.28Å; E66-Q70 WeakPolarHBondContact O-CG 3.5Å; E66-Q70 PolarHBondContact O-N 2.74Å; E66-Q70 PolarHBondContact OE1-NE2 3.37Å; A67-Q70 PolarHBondContact O-N 3.49Å; Q70-L72 PolarHBondContact O-N 3.1Å; Q70-L72 VanDerWaalsContact O-N 3.15Å; Q70-S73 WeakPolarHBondContact O-CB 3.27Å; Q70-S73 PolarHBondContact O-N 3.06Å; Q70-S73 PolarHBondContact O-OG 3.44Å
71S94.4Very high93.8Very high63 Ų6348.2 Ų48.244%0.44125%0.245SC..THydrogen-bonded Turntrans-63.2-18.1174.582.50000114R52 A67 K68 L69R52-S71 WeakPolarHBondContact CD-O 3.16Å; A67-S71 PolarHBondContact O-N 2.88Å; A67-S71 VanDerWaalsContact O-N 3.09Å; K68-S71 WeakPolarHBondContact O-CB 3.5Å; K68-S71 PolarHBondContact O-N 2.85Å; K68-S71 PolarHBondContact O-OG 2.99Å; L69-S71 PolarHBondContact O-N 3.47Å
72L94.7Very high93.8Very high1 Ų143.9 Ų43.91%0.00522%0.222CC..THydrogen-bonded Turntrans-104.9-3.8-179.4-57.8175.3000113.3A21 I41 V43 R52 V54 F64 L69 Q70 K74 G75A21-L72 HydrophobicContact CB-CB 3.7Å; I41-L72 HydrophobicContact CB-CD1 4.01Å; I41-L72 HydrophobicContact CG2-CD1 3.9Å; V43-L72 HydrophobicContact CG1-CB 3.97Å; V43-L72 HydrophobicContact CG1-CD2 4.41Å; V43-L72 HydrophobicContact CG2-CB 4.15Å; V43-L72 HydrophobicContact CG2-CD2 3.86Å; R52-L72 HydrophobicContact CB-CD2 3.94Å; V54-L72 HydrophobicContact CB-CD1 4.24Å; V54-L72 HydrophobicContact CG2-CD1 4.15Å; V54-L72 HydrophobicContact CG2-CD2 4.26Å; V54-L72 HydrophobicContact CG2-CG 4.28Å; F64-L72 HydrophobicContact CE1-CD1 4.49Å; L69-L72 WeakPolarHBondContact O-CA 3.42Å; L69-L72 WeakPolarHBondContact O-CB 3.46Å; L69-L72 PolarHBondContact O-N 3Å; Q70-L72 PolarHBondContact O-N 3.1Å; Q70-L72 VanDerWaalsContact O-N 3.15Å; L72-K74 VanDerWaalsContact C-N 3.27Å; L72-K74 PolarHBondContact O-N 2.98Å; L72-K74 VanDerWaalsContact O-N 3.11Å; L72-G75 PolarHBondContact O-N 3.14Å
73S85.4Confident93.7Very high34 Ų3435 Ų3524%0.23819%0.188CC..THydrogen-bonded Turntrans-60.4-24-168.956.70000116.2L69 Q70 G75L69-S73 PolarHBondContact O-N 2.92Å; Q70-S73 WeakPolarHBondContact O-CB 3.27Å; Q70-S73 PolarHBondContact O-N 3.06Å; Q70-S73 PolarHBondContact O-OG 3.44Å; S73-G75 PolarHBondContact O-N 3.45Å
74K79.7Confident93Very high155 Ų15536 Ų3667%0.67419%0.192SC*.THydrogen-bonded Turntrans-85.717.3-175.9-60.1-172.8178.8-1750114.3L72L72-K74 VanDerWaalsContact C-N 3.27Å; L72-K74 PolarHBondContact O-N 2.98Å; L72-K74 VanDerWaalsContact O-N 3.11Å
75G86.7Confident91.7Very high0 Ų035.8 Ų35.80%019%0.191CC..  trans-88.4134.5-177.400000113.4S44 L72 S73S44-G75 CarbonylContact O-C 3.57Å; S44-G75 WeakPolarHBondContact O-CA 3.36Å; L72-G75 PolarHBondContact O-N 3.14Å; S73-G75 PolarHBondContact O-N 3.45Å
76V93.8Very high90.1Very high32 Ų3233.2 Ų33.219%0.19418%0.179CC..SBendtrans-87-25.5167.4-52.40000111.9I11 T12 P15 S44I11-V76 WeakPolarHBondContact CA-O 3.33Å; T12-V76 WeakPolarHBondContact CG2-O 3.13Å; T12-V76 PolarHBondContact N-O 2.78Å; P15-V76 HydrophobicContact CB-CG1 4.16Å; P15-V76 HydrophobicContact CG-CG1 3.99Å; S44-V76 PolarHBondContact O-N 2.99Å
77A96.9Very high88.5Confident0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-129.9148.2174.100000109.9A10 I11 V43 S44 M174A10-A77 CarbonylContact O-C 3.54Å; A10-A77 WeakPolarHBondContact O-CA 3.5Å; I11-A77 HydrophobicContact CB-CB 4.48Å; I11-A77 HydrophobicContact CD1-CB 4.37Å; I11-A77 HydrophobicContact CG1-CB 4.27Å; V43-A77 CarbonylContact C-O 3.38Å; V43-A77 VanDerWaalsContact CA-O 3.29Å; V43-A77 WeakPolarHBondContact CA-O 3.18Å; S44-A77 PolarHBondContact N-O 3.27Å; S44-A77 PolarHBondContact O-N 3.4Å; A77-M174 HydrophobicContact CB-CG 4.22Å; A77-M174 HydrophobicContact CB-SD 3.87Å
78S97.8Very high86.8Confident0 Ų030.9 Ų30.90%017%0.168CC..EExtended strand (participates in β ladder)trans-144.8145.9179.360.90000111.1A9 A10 A20 T24 V42A9-S78 CarbonylContact C-O 3.59Å; A9-S78 WeakPolarHBondContact CA-O 3.35Å; A9-S78 WeakPolarHBondContact CB-O 3.49Å; A10-S78 PolarHBondContact N-O 3.05Å; A10-S78 PolarHBondContact O-N 3.08Å; A10-S78 PolarHBondContact O-OG 3.38Å; A20-S78 VanDerWaalsContact C-OG 3.25Å; A20-S78 WeakPolarHBondContact CB-OG 3.44Å; A20-S78 PolarHBondContact O-OG 2.92Å; T24-S78 PolarHBondContact OG1-OG 3.23Å; V42-S78 CarbonylContact O-C 3.56Å; V42-S78 VanDerWaalsContact O-CA 3.26Å; V42-S78 WeakPolarHBondContact O-CA 3.32Å
79L98.5Very high85.1Confident0 Ų030.6 Ų30.60%017%0.172CC..EExtended strand (participates in β ladder)trans-132.5127.3177.3178.359.5000108.6I7 A9 I41 V42 P98 A109 A111 V172 M174I7-L79 HydrophobicContact CG2-CD1 3.91Å; A9-L79 HydrophobicContact CB-CD1 3.71Å; I41-L79 CarbonylContact C-O 3.49Å; I41-L79 WeakPolarHBondContact CA-O 3.5Å; V42-L79 PolarHBondContact N-O 2.93Å; V42-L79 PolarHBondContact O-N 3.37Å; L79-P98 HydrophobicContact CB-CG 4.24Å; L79-P98 HydrophobicContact CD2-CB 3.8Å; L79-P98 HydrophobicContact CD2-CG 4.09Å; L79-P98 HydrophobicContact CG-CB 3.98Å; L79-P98 HydrophobicContact CG-CG 3.68Å; L79-P98 VanDerWaalsContact O-CG 3.32Å; L79-P98 WeakPolarHBondContact O-CG 3.47Å; L79-A109 HydrophobicContact CD2-CB 3.99Å; L79-A111 HydrophobicContact CD1-CB 3.8Å; L79-A111 HydrophobicContact CD2-CB 4.04Å; L79-A111 HydrophobicContact CG-CB 3.99Å; L79-V172 HydrophobicContact CD1-CB 3.73Å; L79-V172 HydrophobicContact CD1-CG1 3.8Å; L79-V172 WeakPolarHBondContact CD2-O 3.29Å; L79-M174 HydrophobicContact CB-CB 4.1Å; L79-M174 HydrophobicContact CB-SD 4.05Å; L79-M174 HydrophobicContact CD2-CB 4.12Å
80G98.3Very high83.8Confident0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-126.5151.6-175.700000112.1F8 G40F8-G80 PolarHBondContact N-O 3.09Å; F8-G80 VanDerWaalsContact N-O 3.07Å; F8-G80 WeakPolarHBondContact O-CA 3.48Å; F8-G80 PolarHBondContact O-N 2.76Å; G40-G80 CarbonylContact O-C 3.51Å; G40-G80 WeakPolarHBondContact O-CA 3.34Å
81H97.9Very high82.7Confident0 Ų038.1 Ų38.10%021%0.21CC..EExtended strand (participates in β ladder)trans-146140.8177.5-177.7-85.1000111.7C5 G6 A39 G40 Q97 P98 A111 H112C5-H81 VanDerWaalsContact CB-NE2 3.28Å; C5-H81 WeakPolarHBondContact CB-NE2 3.41Å; C5-H81 VanDerWaalsContact SG-CE1 3.58Å; G6-H81 CarbonylContact O-C 3.58Å; G6-H81 WeakPolarHBondContact O-CA 3.42Å; A39-H81 VanDerWaalsContact CA-O 3.29Å; A39-H81 WeakPolarHBondContact CA-O 3.23Å; G40-H81 PolarHBondContact N-O 3.5Å; G40-H81 PolarHBondContact O-N 3.2Å; H81-Q97 HydrophobicContact CB-CB 3.87Å; H81-Q97 PolarHBondContact NE2-NE2 3.44Å; H81-P98 HydrophobicContact CB-CG 4.42Å; H81-A111 HydrophobicContact CB-CB 4.2Å; H81-H112 PolarHBondContact NE2-O 3.19Å; H81-H112 VanDerWaalsContact NE2-O 3.14Å
82V95.5Very high82.2Confident0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-114.3127.7164.6-73.50000109.4C5 G6 L28 L31 R34 A39 V60C5-V82 VanDerWaalsContact CA-O 3.29Å; C5-V82 WeakPolarHBondContact CA-O 3.46Å; C5-V82 WeakPolarHBondContact CB-O 3.42Å; G6-V82 PolarHBondContact N-O 3.12Å; G6-V82 PolarHBondContact O-N 3.12Å; L28-V82 HydrophobicContact CB-CG1 4.2Å; L28-V82 HydrophobicContact CD2-CG1 4.22Å; L31-V82 HydrophobicContact CB-CG2 4.21Å; R34-V82 HydrophobicContact CB-CG2 4.17Å; A39-V82 HydrophobicContact CB-CG1 4.24Å; V60-V82 HydrophobicContact CG2-CG1 3.34Å
83R90.8Very high81.8Confident12 Ų1241.5 Ų41.55%0.04523%0.226CC..EExtended strand (participates in β ladder)trans-103.9141.6-171.3-169.3175.2168.7-151.3-4.7112.5G35 Q36 E37 S38 S85 S89 S95G35-R83 CarbonylContact C-O 3.38Å; G35-R83 WeakPolarHBondContact CA-O 3.45Å; Q36-R83 PolarHBondContact N-O 3.14Å; E37-R83 PolarHBondContact N-O 3.49Å; S38-R83 PolarHBondContact O-N 3.4Å; S38-R83 VanDerWaalsContact OG-CB 3.22Å; S38-R83 WeakPolarHBondContact OG-CB 3.02Å; R83-S85 PolarHBondContact NH2-OG 3.36Å; R83-S89 PolarHBondContact NH2-O 3.32Å; R83-S95 VanDerWaalsContact NH1-C 3.29Å; R83-S95 PolarHBondContact NH1-O 3.42Å
84Y82.2Confident81.8Confident21 Ų2142.6 Ų42.68%0.08223%0.234CC..  trans-126.9128.4154.8-171.1-82.4000108.4H2 E3 C5 E37 T86 N425H2-Y84 HydrophobicContact CB-CD1 4.39Å; H2-Y84 HydrophobicContact CB-CE1 3.5Å; H2-Y84 HydrophobicContact CB-CE2 3.68Å; H2-Y84 WeakPolarHBondContact CB-OH 3.49Å; H2-Y84 PolarHBondContact CD2-OH 3.16Å; H2-Y84 AromaticContact CG-CZ 3.82Å; E3-Y84 HydrophobicContact CB-CD2 4.15Å; E3-Y84 HydrophobicContact CB-CG 4.25Å; E3-Y84 WeakPolarHBondContact O-CB 3.35Å; E3-Y84 WeakPolarHBondContact O-CD1 3.48Å; C5-Y84 PolarHBondContact SG-N 2.91Å; C5-Y84 PolarHBondContact SG-O 3.43Å; E37-Y84 HydrophobicContact CG-CD2 4.44Å; E37-Y84 WeakPolarHBondContact OE1-CE2 3.31Å; Y84-T86 PolarHBondContact O-N 2.95Å; Y84-N425 HydrophobicContact CE1-CB 4.09Å
85S69.2Low82.1Confident1 Ų135.3 Ų35.31%0.00720%0.202CC..  trans-84.3106.9-176-156.80000110.6E37 R83 N87E37-S85 WeakPolarHBondContact OE2-CA 3.39Å; E37-S85 WeakPolarHBondContact OE2-CB 3.48Å; E37-S85 PolarHBondContact OE2-N 3.3Å; R83-S85 PolarHBondContact NH2-OG 3.36Å; S85-N87 PolarHBondContact OG-O 3.49Å
86T60.2Low82.3Confident30 Ų3035.5 Ų35.518%0.18420%0.203CC..SBendtrans-77.4-49.116853.80000110.6Y84 G423 N425Y84-T86 PolarHBondContact O-N 2.95Å; T86-G423 WeakPolarHBondContact CG2-O 3.35Å; T86-N425 HydrophobicContact CG2-CB 4.23Å
87N58.9Low82.4Confident113 Ų11334.6 Ų34.660%0.60420%0.197SC*.SBendtrans-140.5166.1178.9-91.7-28.2000111.7S85 E115S85-N87 PolarHBondContact OG-O 3.49Å; N87-E115 WeakPolarHBondContact CB-OE1 3.04Å; N87-E115 PolarHBondContact ND2-OE1 3.39Å
88G58.4Low82.3Confident34 Ų3434.6 Ų34.635%0.35120%0.197SC..SBendtrans85.1-178.3-18000000114.9K90 D136G88-K90 PolarHBondContact O-N 3.23Å; G88-D136 WeakPolarHBondContact CA-OD2 3.37Å
89S60.1Low82.1Confident42 Ų4236.2 Ų36.229%0.29420%0.204SC..  trans-58.2108.4-179.851.20000111.9R83 S95 D136R83-S89 PolarHBondContact NH2-O 3.32Å; S89-S95 PolarHBondContact OG-OG 2.9Å; S89-D136 PolarHBondContact N-OD1 3.02Å; S89-D136 PolarHBondContact N-OD2 3.34Å; S89-D136 PolarHBondContact OG-OD1 3.44Å
90K66.8Low81.9Confident112 Ų11238 Ų3849%0.48721%0.213SC..SBendtrans-74.6-29.9-177.6-62.2-172.2178.5177.80112.8G88G88-K90 PolarHBondContact O-N 3.23Å
91D71.4Confident81.6Confident150 Ų15038.5 Ų38.580%0.80222%0.216SC*.SBendtrans-106.98.1-169.5-52.7-34.8000113
92S83.4Confident81.2Confident40 Ų4045.7 Ų45.728%0.2824%0.244SC..  trans-95.9124.9178.4-169.80000112.4S94 S95S92-S94 PolarHBondContact O-N 3.03Å; S92-S94 PolarHBondContact OG-N 2.96Å; S92-S94 PolarHBondContact OG-OG 3.44Å; S92-S95 WeakPolarHBondContact O-CB 3.48Å; S92-S95 PolarHBondContact O-N 3.15Å; S92-S95 VanDerWaalsContact O-N 3.12Å
93L85.6Confident80.9Confident95 Ų9546.8 Ų46.850%0.49725%0.251SS..G310 helixtrans-61.5-29.1173.2-169.667.7000111.6F57 S95 V96F57-L93 HydrophobicContact CD2-CD1 4.17Å; F57-L93 HydrophobicContact CE2-CB 4.11Å; F57-L93 HydrophobicContact CE2-CD1 4.02Å; L93-S95 PolarHBondContact O-N 2.87Å; L93-V96 HydrophobicContact CD1-CG2 4.08Å; L93-V96 WeakPolarHBondContact O-CB 3.27Å; L93-V96 WeakPolarHBondContact O-CG2 3.19Å; L93-V96 PolarHBondContact O-N 3.43Å
94S85.7Confident80.5Confident58 Ų5855.6 Ų55.641%0.40629%0.293SS..G310 helixtrans-63.1-22.1177.2640000113.2S92 V96S92-S94 PolarHBondContact O-N 3.03Å; S92-S94 PolarHBondContact OG-N 2.96Å; S92-S94 PolarHBondContact OG-OG 3.44Å; S94-V96 VanDerWaalsContact C-N 3.34Å
95S85.5Confident80.6Confident1 Ų157.7 Ų57.71%0.00730%0.3CS..G310 helixtrans-89.1-1179.3-55.20000112.5R83 S89 S92 L93R83-S95 VanDerWaalsContact NH1-C 3.29Å; R83-S95 PolarHBondContact NH1-O 3.42Å; S89-S95 PolarHBondContact OG-OG 2.9Å; S92-S95 WeakPolarHBondContact O-CB 3.48Å; S92-S95 PolarHBondContact O-N 3.15Å; S92-S95 VanDerWaalsContact O-N 3.12Å; L93-S95 PolarHBondContact O-N 2.87Å
96V92.1Very high81.6Confident4 Ų458.7 Ų58.72%0.02431%0.311CS..SBendtrans-78.4123.1174-176.10000109.8K55 F57 L93 S94K55-V96 HydrophobicContact CB-CB 4.35Å; K55-V96 HydrophobicContact CB-CG1 3.85Å; F57-V96 HydrophobicContact CE1-CG2 4.23Å; F57-V96 HydrophobicContact CZ-CG2 4.47Å; L93-V96 HydrophobicContact CD1-CG2 4.08Å; L93-V96 WeakPolarHBondContact O-CB 3.27Å; L93-V96 WeakPolarHBondContact O-CG2 3.19Å; L93-V96 PolarHBondContact O-N 3.43Å; S94-V96 VanDerWaalsContact C-N 3.34Å
97Q94.4Very high83.2Confident14 Ų1457.6 Ų57.67%0.06530%0.304CS..SBendtrans-87.4160.6-179.5-65.7-171.460.800111.3G40 H81 H112 S139G40-Q97 WeakPolarHBondContact CA-O 3.38Å; H81-Q97 HydrophobicContact CB-CB 3.87Å; H81-Q97 PolarHBondContact NE2-NE2 3.44Å; Q97-H112 PolarHBondContact NE2-O 3.45Å; Q97-S139 PolarHBondContact NE2-OG 3.25Å; Q97-S139 PolarHBondContact OE1-OG 2.92Å
98P96.2Very high84.9Confident0 Ų052.2 Ų52.20%028%0.276CS..SBendcis-70.51481.4-18.631.4000114.1V42 K55 L79 H81 A109 I110 A111V42-P98 HydrophobicContact CB-CG 4.44Å; V42-P98 HydrophobicContact CG2-CB 3.78Å; V42-P98 HydrophobicContact CG2-CG 3.82Å; K55-P98 WeakPolarHBondContact CE-O 3.23Å; K55-P98 PolarHBondContact NZ-O 2.91Å; L79-P98 HydrophobicContact CB-CG 4.24Å; L79-P98 HydrophobicContact CD2-CB 3.8Å; L79-P98 HydrophobicContact CD2-CG 4.09Å; L79-P98 HydrophobicContact CG-CB 3.98Å; L79-P98 HydrophobicContact CG-CG 3.68Å; L79-P98 VanDerWaalsContact O-CG 3.32Å; L79-P98 WeakPolarHBondContact O-CG 3.47Å; H81-P98 HydrophobicContact CB-CG 4.42Å; P98-A109 HydrophobicContact CB-CB 4.48Å; P98-I110 CarbonylContact C-O 3.5Å; P98-I110 WeakPolarHBondContact CA-O 3.44Å; P98-I110 VanDerWaalsContact CB-O 3.3Å; P98-I110 WeakPolarHBondContact CB-O 3.37Å; P98-A111 HydrophobicContact CB-CB 4.29Å; P98-A111 HydrophobicContact CG-CB 4.32Å
99F93.8Very high86.7Confident33 Ų3350.6 Ų50.615%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-86.8140.4174.6-164.8-101.7000110.3V101 A109 I110 T135 E140F99-V101 HydrophobicContact CD1-CG2 3.38Å; F99-V101 HydrophobicContact CE1-CG2 3.44Å; F99-V101 VanDerWaalsContact CE1-CG2 3.44Å; F99-A109 CarbonylContact O-C 3.58Å; F99-A109 WeakPolarHBondContact O-CA 3.38Å; F99-I110 HydrophobicContact CB-CG2 3.84Å; F99-I110 PolarHBondContact N-O 3.09Å; F99-I110 PolarHBondContact O-N 3.1Å; F99-T135 HydrophobicContact CE2-CG2 4.01Å; F99-E140 HydrophobicContact CD1-CB 3.99Å; F99-E140 HydrophobicContact CD1-CG 4.13Å; F99-E140 HydrophobicContact CD2-CB 4.38Å; F99-E140 HydrophobicContact CE1-CB 3.79Å; F99-E140 HydrophobicContact CE1-CG 3.45Å; F99-E140 VanDerWaalsContact CE1-CG 3.45Å; F99-E140 HydrophobicContact CE2-CB 4.2Å; F99-E140 HydrophobicContact CE2-CG 4.29Å; F99-E140 HydrophobicContact CG-CB 4.29Å; F99-E140 HydrophobicContact CZ-CB 3.91Å; F99-E140 VanDerWaalsContact CZ-CD 3.45Å; F99-E140 HydrophobicContact CZ-CG 3.55Å; F99-E140 WeakPolarHBondContact CZ-OE1 3.03Å
100I94.1Very high88.5Confident39 Ų3948.6 Ų48.620%0.225%0.245CC..EExtended strand (participates in β ladder)trans-114.9130.8-177.9-58.5171.4000108.8V42 F51 I107 M108 A109V42-I100 HydrophobicContact CB-CD1 4.47Å; V42-I100 HydrophobicContact CG1-CD1 3.67Å; V42-I100 HydrophobicContact CG1-CG1 4.03Å; V42-I100 HydrophobicContact CG2-CD1 3.86Å; V42-I100 HydrophobicContact CG2-CG1 4Å; F51-I100 HydrophobicContact CB-CD1 4.37Å; I100-I107 HydrophobicContact CG2-CD1 3.75Å; I100-I107 HydrophobicContact CG2-CG1 3.81Å; I100-M108 CarbonylContact C-O 3.57Å; I100-M108 WeakPolarHBondContact CA-O 3.47Å; I100-A109 HydrophobicContact CG1-CB 4.22Å
101V91.7Very high89.9Confident10 Ų1043.3 Ų43.36%0.06122%0.222CC..EExtended strand (participates in β ladder)trans-132.7136.9180-163.80000110.1F99 T103 M108 A143F99-V101 HydrophobicContact CD1-CG2 3.38Å; F99-V101 HydrophobicContact CE1-CG2 3.44Å; F99-V101 VanDerWaalsContact CE1-CG2 3.44Å; V101-T103 HydrophobicContact CB-CG2 4.21Å; V101-T103 HydrophobicContact CG1-CG2 4.08Å; V101-M108 PolarHBondContact N-O 3.45Å; V101-M108 PolarHBondContact O-N 3.01Å; V101-A143 HydrophobicContact CG2-CB 3.6Å
102Y90.1Very high91Very high150 Ų15036.5 Ų36.559%0.58819%0.185SC*.EExtended strand (participates in β ladder)trans-88.5121.7168.2-70.2-96.8000108.5N49 I107N49-Y102 WeakPolarHBondContact O-CE1 3.49Å; Y102-I107 HydrophobicContact CD1-CB 4.34Å; Y102-I107 HydrophobicContact CD1-CD1 4.5Å; Y102-I107 HydrophobicContact CD1-CG1 4.48Å; Y102-I107 HydrophobicContact CE1-CB 4.37Å; Y102-I107 HydrophobicContact CE1-CD1 3.87Å; Y102-I107 HydrophobicContact CE1-CG1 4.32Å; Y102-I107 HydrophobicContact CE2-CD1 4.22Å
103T87.7Confident91.4Very high23 Ų2334.6 Ų34.614%0.14117%0.172CC..EExtended strand (participates in β ladder)trans-125.1168.6-175.7820000110.1V101 R105 G106 M108 A147V101-T103 HydrophobicContact CB-CG2 4.21Å; V101-T103 HydrophobicContact CG1-CG2 4.08Å; T103-R105 PolarHBondContact O-N 3.03Å; T103-R105 VanDerWaalsContact O-N 3.17Å; T103-R105 WeakPolarHBondContact OG1-CB 3.3Å; T103-R105 PolarHBondContact OG1-N 3.48Å; T103-G106 WeakPolarHBondContact CB-O 2.95Å; T103-G106 PolarHBondContact N-O 3.26Å; T103-G106 PolarHBondContact O-N 2.87Å; T103-G106 PolarHBondContact OG1-O 2.93Å; T103-M108 HydrophobicContact CG2-CB 4.4Å; T103-A147 HydrophobicContact CG2-CB 3.42Å; T103-A147 VanDerWaalsContact CG2-CB 3.42Å
104Q83.3Confident91.7Very high198 Ų19830.7 Ų30.793%0.92515%0.154SC*.THydrogen-bonded Turntrans-62.7-18.4171.5-64.7-172.215.300112.9G106Q104-G106 VanDerWaalsContact C-N 3.26Å
105R85.1Confident91.9Very high64 Ų6429 Ų2924%0.24214%0.14CC..THydrogen-bonded Turntrans-87.35.2175.7-50.6-177.1-165.6-63-10.7113.2T103 H149 H151 A152T103-R105 PolarHBondContact O-N 3.03Å; T103-R105 VanDerWaalsContact O-N 3.17Å; T103-R105 WeakPolarHBondContact OG1-CB 3.3Å; T103-R105 PolarHBondContact OG1-N 3.48Å; R105-H149 PolarHBondContact NH2-O 3.24Å; R105-H151 PolarHBondContact NH1-O 3.04Å; R105-H151 PolarHBondContact NH2-O 3.38Å; R105-A152 PolarHBondContact NH1-O 2.96Å
106G88.9Confident92.1Very high23 Ų2329.2 Ų29.224%0.23714%0.141CC..EExtended strand (participates in β ladder)trans97.4-174.8-168.500000112.6T103 Q104T103-G106 WeakPolarHBondContact CB-O 2.95Å; T103-G106 PolarHBondContact N-O 3.26Å; T103-G106 PolarHBondContact O-N 2.87Å; T103-G106 PolarHBondContact OG1-O 2.93Å; Q104-G106 VanDerWaalsContact C-N 3.26Å
107I93.4Very high91.9Very high6 Ų629.8 Ų29.83%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-72.2139.5178.4-172.7170.6000110.5F51 I100 Y102F51-I107 HydrophobicContact CB-CD1 3.85Å; F51-I107 HydrophobicContact CD1-CD1 4.04Å; F51-I107 HydrophobicContact CD1-CG1 4.39Å; F51-I107 HydrophobicContact CD1-CG2 3.78Å; F51-I107 HydrophobicContact CD2-CD1 3.98Å; F51-I107 HydrophobicContact CD2-CG1 3.91Å; F51-I107 HydrophobicContact CD2-CG2 4.49Å; F51-I107 HydrophobicContact CE1-CB 4.49Å; F51-I107 HydrophobicContact CE1-CG2 3.35Å; F51-I107 HydrophobicContact CE2-CG1 4.09Å; F51-I107 HydrophobicContact CE2-CG2 4.18Å; F51-I107 HydrophobicContact CG-CD1 3.69Å; F51-I107 HydrophobicContact CG-CG1 4.08Å; F51-I107 HydrophobicContact CG-CG2 4.33Å; F51-I107 HydrophobicContact CZ-CB 4.46Å; F51-I107 HydrophobicContact CZ-CG1 4.4Å; F51-I107 HydrophobicContact CZ-CG2 3.61Å; I100-I107 HydrophobicContact CG2-CD1 3.75Å; I100-I107 HydrophobicContact CG2-CG1 3.81Å; Y102-I107 HydrophobicContact CD1-CB 4.34Å; Y102-I107 HydrophobicContact CD1-CD1 4.5Å; Y102-I107 HydrophobicContact CD1-CG1 4.48Å; Y102-I107 HydrophobicContact CE1-CB 4.37Å; Y102-I107 HydrophobicContact CE1-CD1 3.87Å; Y102-I107 HydrophobicContact CE1-CG1 4.32Å; Y102-I107 HydrophobicContact CE2-CD1 4.22Å
108M94.8Very high91.7Very high1 Ų130.1 Ų30.11%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-131.8140.5-179.8171.9177-68.300109.6I100 V101 T103 I146 I173 M174 L175I100-M108 CarbonylContact C-O 3.57Å; I100-M108 WeakPolarHBondContact CA-O 3.47Å; V101-M108 PolarHBondContact N-O 3.45Å; V101-M108 PolarHBondContact O-N 3.01Å; T103-M108 HydrophobicContact CG2-CB 4.4Å; M108-I146 HydrophobicContact CE-CG2 3.96Å; M108-I146 HydrophobicContact SD-CG2 4.45Å; M108-I173 HydrophobicContact CE-CG2 3.48Å; M108-I173 VanDerWaalsContact CE-CG2 3.48Å; M108-I173 HydrophobicContact CG-CG2 3.54Å; M108-I173 HydrophobicContact SD-CG2 3.48Å; M108-I173 WeakPolarHBondContact SD-CG2 3.19Å; M108-M174 WeakPolarHBondContact CA-O 3.4Å; M108-L175 HydrophobicContact CB-CD2 4.29Å; M108-L175 HydrophobicContact CE-CD2 3.73Å
109A96.5Very high91.3Very high0 Ų031.5 Ų31.50%016%0.156CC..EExtended strand (participates in β ladder)trans-114.7142.2163.300000110.5V42 F51 L79 P98 F99 I100 I173 M174V42-A109 HydrophobicContact CB-CB 4.27Å; V42-A109 HydrophobicContact CG1-CB 3.96Å; V42-A109 HydrophobicContact CG2-CB 4.49Å; F51-A109 HydrophobicContact CD2-CB 3.97Å; F51-A109 HydrophobicContact CE2-CB 4.02Å; L79-A109 HydrophobicContact CD2-CB 3.99Å; P98-A109 HydrophobicContact CB-CB 4.48Å; F99-A109 CarbonylContact O-C 3.58Å; F99-A109 WeakPolarHBondContact O-CA 3.38Å; I100-A109 HydrophobicContact CG1-CB 4.22Å; A109-I173 CarbonylContact O-C 3.46Å; A109-I173 VanDerWaalsContact O-CA 3.31Å; A109-I173 WeakPolarHBondContact O-CA 3.44Å; A109-M174 HydrophobicContact CB-CB 4.34Å; A109-M174 HydrophobicContact CB-CE 4.16Å; A109-M174 PolarHBondContact N-O 2.51Å; A109-M174 PolarHBondContact O-N 3.01Å
110I97Very high91.1Very high0 Ų036.4 Ų36.40%018%0.177CC..EExtended strand (participates in β ladder)trans-129.7138.3179.3-171166.5000111.3P98 F99 I142 A143 L171 V172 I173P98-I110 CarbonylContact C-O 3.5Å; P98-I110 WeakPolarHBondContact CA-O 3.44Å; P98-I110 VanDerWaalsContact CB-O 3.3Å; P98-I110 WeakPolarHBondContact CB-O 3.37Å; F99-I110 HydrophobicContact CB-CG2 3.84Å; F99-I110 PolarHBondContact N-O 3.09Å; F99-I110 PolarHBondContact O-N 3.1Å; I110-I142 HydrophobicContact CD1-CB 4.13Å; I110-I142 HydrophobicContact CD1-CG2 3.68Å; I110-A143 HydrophobicContact CG2-CB 3.87Å; I110-L171 HydrophobicContact CD1-CD2 4.33Å; I110-V172 WeakPolarHBondContact CA-O 3.48Å; I110-I173 HydrophobicContact CB-CG1 4.36Å; I110-I173 HydrophobicContact CD1-CD1 4.35Å; I110-I173 HydrophobicContact CD1-CG1 3.92Å; I110-I173 HydrophobicContact CG1-CG1 3.87Å
111A97.1Very high91.1Very high0 Ų040.5 Ų40.50%019%0.194CC..EExtended strand (participates in β ladder)trans-127.2143.8168.100000109.3I7 L79 H81 P98 L171 V172I7-A111 HydrophobicContact CD1-CB 4.38Å; I7-A111 WeakPolarHBondContact CD1-O 3.3Å; I7-A111 HydrophobicContact CG1-CB 4.05Å; I7-A111 HydrophobicContact CG2-CB 3.83Å; L79-A111 HydrophobicContact CD1-CB 3.8Å; L79-A111 HydrophobicContact CD2-CB 4.04Å; L79-A111 HydrophobicContact CG-CB 3.99Å; H81-A111 HydrophobicContact CB-CB 4.2Å; P98-A111 HydrophobicContact CB-CB 4.29Å; P98-A111 HydrophobicContact CG-CB 4.32Å; A111-L171 VanDerWaalsContact O-CA 3.31Å; A111-L171 WeakPolarHBondContact O-CA 3.46Å; A111-V172 PolarHBondContact N-O 2.95Å; A111-V172 PolarHBondContact O-N 2.98Å
112H93.9Very high91.1Very high7 Ų740.2 Ų40.23%0.03219%0.192CC..EExtended strand (participates in β ladder)trans-139.3131.6-169.5169.4-129.3000111.4H81 Q97 G114 D138 S139 Y169 S170 L171H81-H112 PolarHBondContact NE2-O 3.19Å; H81-H112 VanDerWaalsContact NE2-O 3.14Å; Q97-H112 PolarHBondContact NE2-O 3.45Å; H112-G114 PolarHBondContact CE1-O 3.12Å; H112-G114 VanDerWaalsContact NE2-C 3.33Å; H112-G114 VanDerWaalsContact NE2-CA 3.33Å; H112-G114 WeakPolarHBondContact NE2-CA 3.42Å; H112-G114 PolarHBondContact NE2-N 2.93Å; H112-D138 IonicContact CE1-OD2 2.71Å; H112-S139 WeakPolarHBondContact CB-OG 3.39Å; H112-Y169 WeakPolarHBondContact NE2-CB 3.22Å; H112-S170 WeakPolarHBondContact CA-O 3.45Å; H112-L171 HydrophobicContact CB-CD2 3.51Å; H112-L171 WeakPolarHBondContact CD2-CD2 3.47Å
113N93.6Very high91.3Very high1 Ų135.7 Ų35.71%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-119.7117166.4173.524.2000108.4C5 I7 Y169 S170C5-N113 HydrophobicContact CB-CB 4.21Å; C5-N113 PolarHBondContact O-ND2 3.18Å; C5-N113 VanDerWaalsContact O-ND2 3.09Å; C5-N113 PolarHBondContact O-OD1 3.03Å; I7-N113 HydrophobicContact CD1-CB 4.06Å; I7-N113 HydrophobicContact CG1-CB 4.29Å; N113-Y169 CarbonylContact O-C 3.56Å; N113-Y169 WeakPolarHBondContact O-CA 3.21Å; N113-S170 PolarHBondContact N-O 3.29Å; N113-S170 PolarHBondContact O-N 3.1Å
114G91.6Very high91.6Very high12 Ų1242.4 Ų42.412%0.12420%0.196CC..EExtended strand (participates in β ladder)trans145.7-167.7-17600000112.1H112 S168H112-G114 PolarHBondContact CE1-O 3.12Å; H112-G114 VanDerWaalsContact NE2-C 3.33Å; H112-G114 VanDerWaalsContact NE2-CA 3.33Å; H112-G114 WeakPolarHBondContact NE2-CA 3.42Å; H112-G114 PolarHBondContact NE2-N 2.93Å; G114-S168 CarbonylContact C-O 3.31Å; G114-S168 VanDerWaalsContact CA-O 3.26Å; G114-S168 WeakPolarHBondContact CA-O 3.32Å
115E88.8Confident92.1Very high24 Ų2438 Ų3811%0.11218%0.176CC..EExtended strand (participates in β ladder)trans-157.2134.7177.7-171.4159.8-155.600110N87 S168 G423N87-E115 WeakPolarHBondContact CB-OE1 3.04Å; N87-E115 PolarHBondContact ND2-OE1 3.39Å; E115-S168 PolarHBondContact N-O 2.69Å; E115-S168 PolarHBondContact O-N 3.1Å; E115-G423 VanDerWaalsContact CB-N 3.31Å; E115-G423 PolarHBondContact OE2-N 3.06Å
116L89.5Confident92.5Very high4 Ų435.2 Ų35.22%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-87.7120.5-179.9-62.2-179.8000111.4N118 V119 D138 L141 I142 L165 S166 Y169L116-N118 VanDerWaalsContact C-N 3.25Å; L116-N118 PolarHBondContact O-N 2.92Å; L116-V119 HydrophobicContact CB-CB 4.07Å; L116-V119 PolarHBondContact O-N 3.41Å; L116-D138 HydrophobicContact CD1-CB 4.18Å; L116-D138 HydrophobicContact CG-CB 4.29Å; L116-D138 PolarHBondContact N-OD2 3.36Å; L116-L141 HydrophobicContact CD1-CD2 4.26Å; L116-I142 HydrophobicContact CD1-CD1 4.12Å; L116-I142 HydrophobicContact CD1-CG1 4.05Å; L116-L165 HydrophobicContact CD1-CD2 3.85Å; L116-L165 HydrophobicContact CD2-CB 4.08Å; L116-L165 HydrophobicContact CD2-CD2 4.27Å; L116-S166 WeakPolarHBondContact CA-O 3.39Å; L116-Y169 HydrophobicContact CD2-CD1 3.74Å; L116-Y169 HydrophobicContact CD2-CE1 4.29Å
117S88.1Confident92.8Very high16 Ų1638.2 Ų38.211%0.11218%0.176CC..THydrogen-bonded Turntrans-70.9-22.2-179.669.90000113.4S166 G487S117-S166 PolarHBondContact N-O 3.11Å; S117-S166 WeakPolarHBondContact OG-CB 3.32Å; S117-S166 PolarHBondContact OG-OG 2.83Å; S117-G487 PolarHBondContact OG-O 3.1Å
118N90Very high92.8Very high22 Ų2246 Ų4612%0.11821%0.21CC..THydrogen-bonded Turntrans-108.620-179.267.1-18.3000113.1L116 K120 K121 V122 T164 S166L116-N118 VanDerWaalsContact C-N 3.25Å; L116-N118 PolarHBondContact O-N 2.92Å; N118-K120 VanDerWaalsContact C-N 3.29Å; N118-K120 PolarHBondContact O-N 3.45Å; N118-K121 WeakPolarHBondContact O-CB 3.25Å; N118-K121 PolarHBondContact O-N 3.1Å; N118-V122 HydrophobicContact CB-CG2 4.49Å; N118-V122 WeakPolarHBondContact O-CG2 3.44Å; N118-V122 PolarHBondContact O-N 3.39Å; N118-V122 VanDerWaalsContact O-N 3.07Å; N118-T164 PolarHBondContact ND2-O 2.87Å; N118-S166 VanDerWaalsContact CG-CB 3.42Å; N118-S166 WeakPolarHBondContact OD1-CB 3.38Å; N118-S166 PolarHBondContact OD1-N 3.1Å
119V89Confident92.7Very high29 Ų2951.6 Ų51.618%0.17624%0.239CC..Hα-helixtrans-50.7-43.9-175.565.20000113.2L116 K121 V122 R123 D138 L141L116-V119 HydrophobicContact CB-CB 4.07Å; L116-V119 PolarHBondContact O-N 3.41Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.26Å; V119-V122 PolarHBondContact O-N 3.25Å; V119-R123 WeakPolarHBondContact O-CB 3.2Å; V119-R123 PolarHBondContact O-N 3Å; V119-D138 WeakPolarHBondContact CG2-OD1 3.21Å; V119-L141 HydrophobicContact CG2-CD2 3.78Å
120K90Very high92.6Very high135 Ų13555 Ų5559%0.58727%0.274SS*.Hα-helixtrans-61.1-42.9-178.5-66.8177.2-173.7164.40111.5N118 R124N118-K120 VanDerWaalsContact C-N 3.29Å; N118-K120 PolarHBondContact O-N 3.45Å; K120-R124 WeakPolarHBondContact O-CB 3.34Å; K120-R124 PolarHBondContact O-N 3.46Å; K120-R124 VanDerWaalsContact O-N 3.12Å
121K92.4Very high92.4Very high126 Ų12656.8 Ų56.855%0.54828%0.283SS..Hα-helixtrans-67.2-50.6179.6-180-176.8175.8-176.90110.6N118 V119 R124 Q125N118-K121 WeakPolarHBondContact O-CB 3.25Å; N118-K121 PolarHBondContact O-N 3.1Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.26Å; K121-R124 PolarHBondContact O-N 3.3Å; K121-Q125 PolarHBondContact O-N 3.01Å
122V92.6Very high92.1Very high4 Ų459.2 Ų59.22%0.02431%0.309CS..Hα-helixtrans-62.9-45-178178.90000110.8N118 V119 R124 Q125 L126 L141 L145 T164N118-V122 HydrophobicContact CB-CG2 4.49Å; N118-V122 WeakPolarHBondContact O-CG2 3.44Å; N118-V122 PolarHBondContact O-N 3.39Å; N118-V122 VanDerWaalsContact O-N 3.07Å; V119-V122 PolarHBondContact O-N 3.25Å; V122-R124 PolarHBondContact O-N 3.39Å; V122-Q125 PolarHBondContact O-N 3.1Å; V122-L126 PolarHBondContact O-N 2.92Å; V122-L141 HydrophobicContact CB-CD2 4.2Å; V122-L141 HydrophobicContact CG1-CD1 4.28Å; V122-L141 HydrophobicContact CG1-CD2 3.99Å; V122-L141 HydrophobicContact CG1-CG 4.25Å; V122-L145 HydrophobicContact CG1-CD1 3.58Å; V122-L145 HydrophobicContact CG1-CD2 4.33Å; V122-L145 HydrophobicContact CG1-CG 4.49Å; V122-T164 HydrophobicContact CG2-CG2 4.28Å
123R93.6Very high92Very high55 Ų5560.7 Ų60.721%0.20832%0.317CS..Hα-helixtrans-58-45.7174.6178170.9-71.1134.21.8112.4V119 Q125 L126 L127 L133 D136 T137 L141V119-R123 WeakPolarHBondContact O-CB 3.2Å; V119-R123 PolarHBondContact O-N 3Å; R123-Q125 VanDerWaalsContact C-N 3.3Å; R123-Q125 PolarHBondContact O-N 3.35Å; R123-L126 PolarHBondContact O-N 3.49Å; R123-L127 HydrophobicContact CG-CD1 3.85Å; R123-L127 HydrophobicContact CG-CG 4.38Å; R123-L127 WeakPolarHBondContact O-CB 3.2Å; R123-L127 VanDerWaalsContact O-CG 3.31Å; R123-L127 WeakPolarHBondContact O-CG 3.32Å; R123-L127 PolarHBondContact O-N 2.87Å; R123-L133 HydrophobicContact CG-CD1 3.76Å; R123-D136 PolarHBondContact NH2-O 3.07Å; R123-T137 PolarHBondContact NH2-O 3.08Å; R123-L141 HydrophobicContact CB-CD1 4.1Å; R123-L141 HydrophobicContact CB-CD2 4.32Å
124R94.1Very high91.8Very high164 Ų16465.6 Ų65.662%0.61935%0.351SS*.Hα-helixtrans-61.5-40.2178-173-174.5-65.9155-1.5111.6K120 K121 V122 K128K120-R124 WeakPolarHBondContact O-CB 3.34Å; K120-R124 PolarHBondContact O-N 3.46Å; K120-R124 VanDerWaalsContact O-N 3.12Å; K121-R124 PolarHBondContact O-N 3.3Å; V122-R124 PolarHBondContact O-N 3.39Å; R124-K128 WeakPolarHBondContact O-CB 3.43Å; R124-K128 VanDerWaalsContact O-CG 3.29Å; R124-K128 WeakPolarHBondContact O-CG 3.36Å; R124-K128 PolarHBondContact O-N 2.89Å
125Q93.3Very high91.6Very high106 Ų10665.8 Ų65.850%0.49535%0.35SS..Hα-helixtrans-65.8-44.6177.7-175.2172.5-500111.4K121 V122 R123 K128 N129K121-Q125 PolarHBondContact O-N 3.01Å; V122-Q125 PolarHBondContact O-N 3.1Å; R123-Q125 VanDerWaalsContact C-N 3.3Å; R123-Q125 PolarHBondContact O-N 3.35Å; Q125-K128 PolarHBondContact O-N 3.28Å; Q125-N129 PolarHBondContact O-N 2.95Å; Q125-N129 PolarHBondContact O-OD1 3.39Å
126L93.7Very high91.4Very high4 Ų467.6 Ų67.62%0.02136%0.36CS..Hα-helixtrans-61.2-47.7177.9-169.673.7000111.9V122 R123 K128 N129 I131 L133 L141 Q144 L145V122-L126 PolarHBondContact O-N 2.92Å; R123-L126 PolarHBondContact O-N 3.49Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-K128 PolarHBondContact O-N 3.19Å; L126-N129 WeakPolarHBondContact O-CB 3.41Å; L126-N129 PolarHBondContact O-N 2.94Å; L126-N129 VanDerWaalsContact O-N 3.1Å; L126-I131 HydrophobicContact CD1-CB 4.01Å; L126-I131 HydrophobicContact CD1-CD1 3.54Å; L126-I131 HydrophobicContact CD1-CG1 4.4Å; L126-I131 HydrophobicContact CD1-CG2 4Å; L126-I131 HydrophobicContact CD2-CG2 4Å; L126-I131 HydrophobicContact CG-CB 3.88Å; L126-I131 HydrophobicContact CG-CD1 4.34Å; L126-I131 HydrophobicContact CG-CG2 3.88Å; L126-I131 PolarHBondContact O-N 3.13Å; L126-L133 HydrophobicContact CD2-CD1 4.35Å; L126-L133 HydrophobicContact CD2-CD2 3.86Å; L126-L133 HydrophobicContact CD2-CG 4.26Å; L126-L141 HydrophobicContact CB-CD1 4.24Å; L126-L141 HydrophobicContact CD2-CD1 3.61Å; L126-Q144 HydrophobicContact CD2-CB 3.7Å; L126-L145 HydrophobicContact CD1-CD2 3.84Å; L126-L145 HydrophobicContact CD1-CG 4.24Å
127L95Very high91.2Very high87 Ų8768.3 Ų68.346%0.45537%0.365SS..Hα-helixtrans-63.8-37.3178.2-68.9170.4000112.3R123 N129 G130 I131 L133R123-L127 HydrophobicContact CG-CD1 3.85Å; R123-L127 HydrophobicContact CG-CG 4.38Å; R123-L127 WeakPolarHBondContact O-CB 3.2Å; R123-L127 VanDerWaalsContact O-CG 3.31Å; R123-L127 WeakPolarHBondContact O-CG 3.32Å; R123-L127 PolarHBondContact O-N 2.87Å; L127-N129 PolarHBondContact O-N 3.29Å; L127-G130 PolarHBondContact O-N 3.43Å; L127-I131 WeakPolarHBondContact CD2-O 3.45Å; L127-L133 HydrophobicContact CD2-CD1 4.49Å; L127-L133 HydrophobicContact CD2-CG 4.44Å
128K94.5Very high91.3Very high170 Ų17068.7 Ų68.774%0.73937%0.366SS*.Hα-helixtrans-62.5-28.6174.7-82.8-177.8175.2-168.20112.8R124 Q125 L126 G130R124-K128 WeakPolarHBondContact O-CB 3.43Å; R124-K128 VanDerWaalsContact O-CG 3.29Å; R124-K128 WeakPolarHBondContact O-CG 3.36Å; R124-K128 PolarHBondContact O-N 2.89Å; Q125-K128 PolarHBondContact O-N 3.28Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-K128 PolarHBondContact O-N 3.19Å; K128-G130 PolarHBondContact O-N 3.46Å
129N92.9Very high91.3Very high117 Ų11767.7 Ų67.763%0.62636%0.36SS*.THydrogen-bonded Turntrans-81.86.8175.9-65.1-6.9000112.7Q125 L126 L127Q125-N129 PolarHBondContact O-N 2.95Å; Q125-N129 PolarHBondContact O-OD1 3.39Å; L126-N129 WeakPolarHBondContact O-CB 3.41Å; L126-N129 PolarHBondContact O-N 2.94Å; L126-N129 VanDerWaalsContact O-N 3.1Å; L127-N129 PolarHBondContact O-N 3.29Å
130G94.3Very high91.4Very high71 Ų7166.4 Ų66.473%0.73235%0.352SS*.THydrogen-bonded Turntrans82.98.1177.100000114.7L127 K128L127-G130 PolarHBondContact O-N 3.43Å; K128-G130 PolarHBondContact O-N 3.46Å
131I92.8Very high91.5Very high38 Ų3860 Ų6020%0.19532%0.324CS..  trans-91.8110.5179.1-62158.8000108.8L126 L127 Q144 S148L126-I131 HydrophobicContact CD1-CB 4.01Å; L126-I131 HydrophobicContact CD1-CD1 3.54Å; L126-I131 HydrophobicContact CD1-CG1 4.4Å; L126-I131 HydrophobicContact CD1-CG2 4Å; L126-I131 HydrophobicContact CD2-CG2 4Å; L126-I131 HydrophobicContact CG-CB 3.88Å; L126-I131 HydrophobicContact CG-CD1 4.34Å; L126-I131 HydrophobicContact CG-CG2 3.88Å; L126-I131 PolarHBondContact O-N 3.13Å; L127-I131 WeakPolarHBondContact CD2-O 3.45Å; I131-Q144 HydrophobicContact CG2-CB 4.01Å; I131-Q144 HydrophobicContact CG2-CG 4.29Å; I131-S148 WeakPolarHBondContact CD1-OG 3.22Å
132G91.3Very high91.6Very high52 Ų5254 Ų5454%0.53630%0.298SS..  trans-74156.7178.800000113.6
133L91.4Very high91.7Very high38 Ų3853.8 Ų53.820%0.19930%0.297CS..  trans-126.8140.6173.5-62.8169000109R123 L126 L127 E140 L141 Q144R123-L133 HydrophobicContact CG-CD1 3.76Å; L126-L133 HydrophobicContact CD2-CD1 4.35Å; L126-L133 HydrophobicContact CD2-CD2 3.86Å; L126-L133 HydrophobicContact CD2-CG 4.26Å; L127-L133 HydrophobicContact CD2-CD1 4.49Å; L127-L133 HydrophobicContact CD2-CG 4.44Å; L133-E140 HydrophobicContact CD2-CG 3.69Å; L133-L141 HydrophobicContact CD1-CD1 4.04Å; L133-Q144 HydrophobicContact CD2-CB 4.24Å; L133-Q144 HydrophobicContact CD2-CG 3.78Å
134S88.6Confident91.7Very high104 Ų10453 Ų5373%0.72730%0.296SS*.SBendtrans-95.2-16.2180-48.90000112.6E140S134-E140 WeakPolarHBondContact CB-OE1 3.33Å; S134-E140 VanDerWaalsContact N-CD 3.29Å; S134-E140 PolarHBondContact N-OE1 3.05Å; S134-E140 PolarHBondContact N-OE2 3.28Å; S134-E140 VanDerWaalsContact N-OE2 3.15Å; S134-E140 PolarHBondContact OG-OE1 3.25Å
135T87.1Confident91.8Very high16 Ų1646.4 Ų46.410%0.09827%0.273CS..SBendtrans-137166.1-175.577.80000110.7F99 T137 E140F99-T135 HydrophobicContact CE2-CG2 4.01Å; T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact OG1-N 3.32Å; T135-T137 PolarHBondContact OG1-OG1 2.73Å; T135-E140 VanDerWaalsContact CA-OE2 3.28Å; T135-E140 WeakPolarHBondContact CA-OE2 3.39Å; T135-E140 VanDerWaalsContact CB-OE2 3.23Å; T135-E140 WeakPolarHBondContact CB-OE2 3.35Å; T135-E140 PolarHBondContact N-OE2 3.25Å; T135-E140 PolarHBondContact OG1-OE2 2.96Å
136D84.3Confident91.8Very high62 Ų6241.4 Ų41.433%0.33225%0.249SC..SBendtrans-9311.8172.661.7-18.4000113.1G88 S89 R123G88-D136 WeakPolarHBondContact CA-OD2 3.37Å; S89-D136 PolarHBondContact N-OD1 3.02Å; S89-D136 PolarHBondContact N-OD2 3.34Å; S89-D136 PolarHBondContact OG-OD1 3.44Å; R123-D136 PolarHBondContact NH2-O 3.07Å
137T87.2Confident91.8Very high18 Ų1842 Ų4211%0.1126%0.255CS..  trans-79.9147.2-176.269.80000113.2R123 T135 S139 E140 L141R123-T137 PolarHBondContact NH2-O 3.08Å; T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact OG1-N 3.32Å; T135-T137 PolarHBondContact OG1-OG1 2.73Å; T137-S139 VanDerWaalsContact C-N 3.26Å; T137-S139 PolarHBondContact O-N 3.48Å; T137-E140 PolarHBondContact OG1-N 3.49Å; T137-L141 PolarHBondContact O-N 2.65Å
138D88.4Confident91.6Very high25 Ų2540.6 Ų40.613%0.13425%0.252CS..Hα-helixtrans-64.8-33.1172-68.7-5.1000111.2H112 L116 V119 E140 L141 I142H112-D138 IonicContact CE1-OD2 2.71Å; L116-D138 HydrophobicContact CD1-CB 4.18Å; L116-D138 HydrophobicContact CG-CB 4.29Å; L116-D138 PolarHBondContact N-OD2 3.36Å; V119-D138 WeakPolarHBondContact CG2-OD1 3.21Å; D138-E140 PolarHBondContact O-N 3.3Å; D138-L141 WeakPolarHBondContact O-CB 3.35Å; D138-L141 PolarHBondContact O-N 2.85Å; D138-I142 WeakPolarHBondContact O-CB 3.3Å; D138-I142 VanDerWaalsContact O-CG1 3.23Å; D138-I142 WeakPolarHBondContact O-CG1 3.23Å; D138-I142 PolarHBondContact O-N 2.63Å
139S90.1Very high91.6Very high1 Ų135 Ų351%0.00723%0.229CC..Hα-helixtrans-62.9-44.5-178.5-45.50000112.4Q97 H112 T137 A143Q97-S139 PolarHBondContact NE2-OG 3.25Å; Q97-S139 PolarHBondContact OE1-OG 2.92Å; H112-S139 WeakPolarHBondContact CB-OG 3.39Å; T137-S139 VanDerWaalsContact C-N 3.26Å; T137-S139 PolarHBondContact O-N 3.48Å; S139-A143 WeakPolarHBondContact O-CB 3.32Å; S139-A143 PolarHBondContact O-N 3.26Å
140E91.5Very high91.5Very high1 Ų138.7 Ų38.71%0.00524%0.242CC..Hα-helixtrans-65.8-43174.5180179.1-158.200111.2F99 L133 S134 T135 T137 D138 I142 A143 Q144F99-E140 HydrophobicContact CD1-CB 3.99Å; F99-E140 HydrophobicContact CD1-CG 4.13Å; F99-E140 HydrophobicContact CD2-CB 4.38Å; F99-E140 HydrophobicContact CE1-CB 3.79Å; F99-E140 HydrophobicContact CE1-CG 3.45Å; F99-E140 VanDerWaalsContact CE1-CG 3.45Å; F99-E140 HydrophobicContact CE2-CB 4.2Å; F99-E140 HydrophobicContact CE2-CG 4.29Å; F99-E140 HydrophobicContact CG-CB 4.29Å; F99-E140 HydrophobicContact CZ-CB 3.91Å; F99-E140 VanDerWaalsContact CZ-CD 3.45Å; F99-E140 HydrophobicContact CZ-CG 3.55Å; F99-E140 WeakPolarHBondContact CZ-OE1 3.03Å; L133-E140 HydrophobicContact CD2-CG 3.69Å; S134-E140 WeakPolarHBondContact CB-OE1 3.33Å; S134-E140 VanDerWaalsContact N-CD 3.29Å; S134-E140 PolarHBondContact N-OE1 3.05Å; S134-E140 PolarHBondContact N-OE2 3.28Å; S134-E140 VanDerWaalsContact N-OE2 3.15Å; S134-E140 PolarHBondContact OG-OE1 3.25Å; T135-E140 VanDerWaalsContact CA-OE2 3.28Å; T135-E140 WeakPolarHBondContact CA-OE2 3.39Å; T135-E140 VanDerWaalsContact CB-OE2 3.23Å; T135-E140 WeakPolarHBondContact CB-OE2 3.35Å; T135-E140 PolarHBondContact N-OE2 3.25Å; T135-E140 PolarHBondContact OG1-OE2 2.96Å; T137-E140 PolarHBondContact OG1-N 3.49Å; D138-E140 PolarHBondContact O-N 3.3Å; E140-I142 VanDerWaalsContact C-N 3.31Å; E140-I142 PolarHBondContact O-N 3.21Å; E140-A143 PolarHBondContact O-N 2.97Å; E140-Q144 HydrophobicContact CG-CG 4.18Å; E140-Q144 WeakPolarHBondContact O-CB 3.44Å; E140-Q144 WeakPolarHBondContact O-CG 3.5Å; E140-Q144 PolarHBondContact O-N 2.83Å
141L93.1Very high91.3Very high0 Ų038.9 Ų38.90%022%0.224CC..Hα-helixtrans-56.5-47.4178.1179.266.9000111.2L116 V119 V122 R123 L126 L133 T137 D138 Q144 L145L116-L141 HydrophobicContact CD1-CD2 4.26Å; V119-L141 HydrophobicContact CG2-CD2 3.78Å; V122-L141 HydrophobicContact CB-CD2 4.2Å; V122-L141 HydrophobicContact CG1-CD1 4.28Å; V122-L141 HydrophobicContact CG1-CD2 3.99Å; V122-L141 HydrophobicContact CG1-CG 4.25Å; R123-L141 HydrophobicContact CB-CD1 4.1Å; R123-L141 HydrophobicContact CB-CD2 4.32Å; L126-L141 HydrophobicContact CB-CD1 4.24Å; L126-L141 HydrophobicContact CD2-CD1 3.61Å; L133-L141 HydrophobicContact CD1-CD1 4.04Å; T137-L141 PolarHBondContact O-N 2.65Å; D138-L141 WeakPolarHBondContact O-CB 3.35Å; D138-L141 PolarHBondContact O-N 2.85Å; L141-Q144 PolarHBondContact O-N 2.92Å; L141-L145 HydrophobicContact CG-CD1 4.3Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.32Å; L141-L145 PolarHBondContact O-N 2.89Å
142I94.7Very high91Very high0 Ų041.4 Ų41.40%025%0.251CS..Hα-helixtrans-64.7-46.2177.9-65.2165.7000110.6I110 L116 D138 E140 Q144 L145 I146 I161 L165 L171I110-I142 HydrophobicContact CD1-CB 4.13Å; I110-I142 HydrophobicContact CD1-CG2 3.68Å; L116-I142 HydrophobicContact CD1-CD1 4.12Å; L116-I142 HydrophobicContact CD1-CG1 4.05Å; D138-I142 WeakPolarHBondContact O-CB 3.3Å; D138-I142 VanDerWaalsContact O-CG1 3.23Å; D138-I142 WeakPolarHBondContact O-CG1 3.23Å; D138-I142 PolarHBondContact O-N 2.63Å; E140-I142 VanDerWaalsContact C-N 3.31Å; E140-I142 PolarHBondContact O-N 3.21Å; I142-Q144 VanDerWaalsContact C-N 3.31Å; I142-Q144 PolarHBondContact O-N 2.96Å; I142-L145 PolarHBondContact O-N 3.08Å; I142-I146 HydrophobicContact CG2-CD1 3.93Å; I142-I146 WeakPolarHBondContact O-CG1 3.42Å; I142-I146 PolarHBondContact O-N 3.36Å; I142-I161 HydrophobicContact CG2-CD1 4.22Å; I142-L165 HydrophobicContact CD1-CD1 4.34Å; I142-L165 HydrophobicContact CG1-CD1 4.01Å; I142-L165 HydrophobicContact CG1-CD2 4.27Å; I142-L165 HydrophobicContact CG2-CD1 4.38Å; I142-L171 HydrophobicContact CD1-CD1 4.32Å; I142-L171 HydrophobicContact CD1-CD2 3.88Å; I142-L171 HydrophobicContact CG2-CD1 3.95Å
143A94.1Very high91Very high0 Ų041.1 Ų41.10%024%0.236CC..Hα-helixtrans-59.4-42.7178.600000112.2V101 I110 S139 E140 I146 A147V101-A143 HydrophobicContact CG2-CB 3.6Å; I110-A143 HydrophobicContact CG2-CB 3.87Å; S139-A143 WeakPolarHBondContact O-CB 3.32Å; S139-A143 PolarHBondContact O-N 3.26Å; E140-A143 PolarHBondContact O-N 2.97Å; A143-I146 PolarHBondContact O-N 2.85Å; A143-A147 VanDerWaalsContact O-CB 3.25Å; A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 2.73Å
144Q94.1Very high91.1Very high39 Ų3939.5 Ų39.518%0.18223%0.229CC..Hα-helixtrans-66.8-39.1178.4-69.8-62-12.200112.1L126 I131 L133 E140 L141 I142 I146 A147 S148L126-Q144 HydrophobicContact CD2-CB 3.7Å; I131-Q144 HydrophobicContact CG2-CB 4.01Å; I131-Q144 HydrophobicContact CG2-CG 4.29Å; L133-Q144 HydrophobicContact CD2-CB 4.24Å; L133-Q144 HydrophobicContact CD2-CG 3.78Å; E140-Q144 HydrophobicContact CG-CG 4.18Å; E140-Q144 WeakPolarHBondContact O-CB 3.44Å; E140-Q144 WeakPolarHBondContact O-CG 3.5Å; E140-Q144 PolarHBondContact O-N 2.83Å; L141-Q144 PolarHBondContact O-N 2.92Å; I142-Q144 VanDerWaalsContact C-N 3.31Å; I142-Q144 PolarHBondContact O-N 2.96Å; Q144-I146 VanDerWaalsContact C-N 3.32Å; Q144-I146 PolarHBondContact O-N 2.68Å; Q144-A147 PolarHBondContact O-N 3.06Å; Q144-S148 WeakPolarHBondContact O-CB 3.11Å; Q144-S148 PolarHBondContact O-N 3.2Å; Q144-S148 PolarHBondContact O-OG 2.76Å
145L94.7Very high91.4Very high25 Ų2534.6 Ų34.613%0.13119%0.194CC..Hα-helixtrans-59.1-43.2173.5-73.3162.5000112V122 L126 L141 I142 S148 H149 I161 L165V122-L145 HydrophobicContact CG1-CD1 3.58Å; V122-L145 HydrophobicContact CG1-CD2 4.33Å; V122-L145 HydrophobicContact CG1-CG 4.49Å; L126-L145 HydrophobicContact CD1-CD2 3.84Å; L126-L145 HydrophobicContact CD1-CG 4.24Å; L141-L145 HydrophobicContact CG-CD1 4.3Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.32Å; L141-L145 PolarHBondContact O-N 2.89Å; I142-L145 PolarHBondContact O-N 3.08Å; L145-S148 PolarHBondContact O-OG 3.48Å; L145-H149 PolarHBondContact O-N 3.43Å; L145-I161 HydrophobicContact CB-CD1 4.26Å; L145-I161 HydrophobicContact CB-CG2 4.29Å; L145-L165 HydrophobicContact CD1-CD2 3.91Å
146I94.6Very high91.8Very high1 Ų134.7 Ų34.71%0.00519%0.194CC..Hα-helixtrans-66.8-44.1176.7-60.4166.8000110.6M108 I142 A143 Q144 S148 H149 I158 I161 I173M108-I146 HydrophobicContact CE-CG2 3.96Å; M108-I146 HydrophobicContact SD-CG2 4.45Å; I142-I146 HydrophobicContact CG2-CD1 3.93Å; I142-I146 WeakPolarHBondContact O-CG1 3.42Å; I142-I146 PolarHBondContact O-N 3.36Å; A143-I146 PolarHBondContact O-N 2.85Å; Q144-I146 VanDerWaalsContact C-N 3.32Å; Q144-I146 PolarHBondContact O-N 2.68Å; I146-S148 VanDerWaalsContact C-N 3.32Å; I146-S148 PolarHBondContact O-N 3.25Å; I146-H149 PolarHBondContact O-N 2.79Å; I146-I158 HydrophobicContact CD1-CG1 3.84Å; I146-I158 HydrophobicContact CG1-CG1 4.14Å; I146-I158 HydrophobicContact CG2-CG1 4.39Å; I146-I161 HydrophobicContact CD1-CD1 4.06Å; I146-I161 HydrophobicContact CG1-CD1 3.36Å; I146-I161 HydrophobicContact CG1-CG1 4.38Å; I146-I173 HydrophobicContact CD1-CD1 3.52Å
147A93Very high92.3Very high17 Ų1731.8 Ų31.814%0.1418%0.178CC..Hα-helixtrans-63.1-37.9-178.100000112.4T103 A143 Q144T103-A147 HydrophobicContact CG2-CB 3.42Å; T103-A147 VanDerWaalsContact CG2-CB 3.42Å; A143-A147 VanDerWaalsContact O-CB 3.25Å; A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 2.73Å; Q144-A147 PolarHBondContact O-N 3.06Å
148S91.6Very high92.7Very high57 Ų5731 Ų3140%0.39917%0.173SC..THydrogen-bonded Turntrans-87.7-4.7-179.965.70000114.5I131 Q144 L145 I146I131-S148 WeakPolarHBondContact CD1-OG 3.22Å; Q144-S148 WeakPolarHBondContact O-CB 3.11Å; Q144-S148 PolarHBondContact O-N 3.2Å; Q144-S148 PolarHBondContact O-OG 2.76Å; L145-S148 PolarHBondContact O-OG 3.48Å; I146-S148 VanDerWaalsContact C-N 3.32Å; I146-S148 PolarHBondContact O-N 3.25Å
149H93.6Very high93.1Very high54 Ų5434 Ų3425%0.2518%0.182CC..  trans-70.6142.5-178.7-160.2-90000111R105 L145 I146 H151 A157 D160R105-H149 PolarHBondContact NH2-O 3.24Å; L145-H149 PolarHBondContact O-N 3.43Å; I146-H149 PolarHBondContact O-N 2.79Å; H149-H151 WeakPolarHBondContact ND1-CB 3.44Å; H149-H151 PolarHBondContact ND1-N 3.4Å; H149-A157 HydrophobicContact CB-CB 3.81Å; H149-D160 IonicContact CE1-OD2 3.4Å; H149-D160 PolarHBondContact CE1-OD2 3.21Å; H149-D160 IonicContact NE2-OD2 3.92Å
150E90.4Very high93.3Very high193 Ų19336 Ų3690%0.90219%0.193SC*.SBendtrans-73.2-32.4-175.6-62.8-178.8172.200113.3A152E150-A152 PolarHBondContact O-N 3.48Å
151H90.2Very high93.4Very high76 Ų7636.4 Ų36.435%0.35220%0.196SC..  trans-63.2118.2-171.6-167.2-58000112.9R105 H149 D153 M156R105-H151 PolarHBondContact NH1-O 3.04Å; R105-H151 PolarHBondContact NH2-O 3.38Å; H149-H151 WeakPolarHBondContact ND1-CB 3.44Å; H149-H151 PolarHBondContact ND1-N 3.4Å; H151-D153 VanDerWaalsContact C-N 3.33Å; H151-D153 PolarHBondContact ND1-N 2.98Å; H151-D153 VanDerWaalsContact ND1-N 3.19Å; H151-D153 PolarHBondContact ND1-O 2.89Å; H151-D153 PolarHBondContact O-N 2.8Å; H151-M156 WeakPolarHBondContact CE1-CB 3.23Å; H151-M156 VanDerWaalsContact CE1-CG 3.46Å; H151-M156 WeakPolarHBondContact CE1-CG 3Å; H151-M156 WeakPolarHBondContact ND1-CB 3.28Å; H151-M156 WeakPolarHBondContact NE2-CB 3.12Å
152A87.6Confident93.5Very high91 Ų9136.6 Ų36.675%0.75220%0.196SC*.SBendtrans-57.1-34.2-173.900000115.8R105 E150R105-A152 PolarHBondContact NH1-O 2.96Å; E150-A152 PolarHBondContact O-N 3.48Å
153D91.5Very high93.2Very high45 Ų4543.5 Ų43.524%0.24122%0.223CC..SBendtrans-78.8122.5173.3-178.4-12000111.7H151 M155 M156 A157 R243H151-D153 VanDerWaalsContact C-N 3.33Å; H151-D153 PolarHBondContact ND1-N 2.98Å; H151-D153 VanDerWaalsContact ND1-N 3.19Å; H151-D153 PolarHBondContact ND1-O 2.89Å; H151-D153 PolarHBondContact O-N 2.8Å; D153-M155 PolarHBondContact O-N 3.2Å; D153-M155 PolarHBondContact OD1-N 2.81Å; D153-M156 HydrophobicContact CB-CB 4.1Å; D153-M156 HydrophobicContact CB-CG 3.89Å; D153-M156 PolarHBondContact O-N 3.02Å; D153-M156 WeakPolarHBondContact OD2-CG 3.34Å; D153-A157 PolarHBondContact O-N 3.17Å; D153-R243 IonicContact OD1-NH1 3.67Å; D153-R243 IonicContact OD2-CZ 2.84Å; D153-R243 IonicContact OD2-NH1 3.57Å; D153-R243 PolarHBondContact OD2-NH1 3.24Å; D153-R243 IonicContact OD2-NH2 3.81Å; D153-R243 PolarHBondContact OD2-NH2 3.24Å; D153-R243 VanDerWaalsContact OD2-NH2 3.15Å
154C92.7Very high93Very high5 Ų546.5 Ų46.53%0.03424%0.241CC..Hα-helixtrans-62.5-37.7-179.9-171.20000112.9M156 A157 I158 L175 L180C154-M156 VanDerWaalsContact C-N 3.32Å; C154-M156 PolarHBondContact O-N 3.37Å; C154-A157 PolarHBondContact O-N 3.15Å; C154-I158 WeakPolarHBondContact O-CD1 3.46Å; C154-I158 VanDerWaalsContact O-CG1 3.26Å; C154-I158 WeakPolarHBondContact O-CG1 3.22Å; C154-I158 PolarHBondContact O-N 3.14Å; C154-L175 HydrophobicContact CB-CD1 4.41Å; C154-L180 HydrophobicContact CB-CD1 4.25Å
155M94.9Very high92.8Very high1 Ų145.1 Ų45.11%0.00524%0.235CC..Hα-helixtrans-65.1-38.7177.4-71.6-174.281.300111.4D153 I158 R159 L180 I233 E235 R243 V245D153-M155 PolarHBondContact O-N 3.2Å; D153-M155 PolarHBondContact OD1-N 2.81Å; M155-I158 PolarHBondContact O-N 2.59Å; M155-R159 WeakPolarHBondContact O-CB 3.18Å; M155-R159 PolarHBondContact O-N 3.35Å; M155-L180 HydrophobicContact CG-CD1 4.4Å; M155-L180 HydrophobicContact CG-CD2 3.87Å; M155-L180 HydrophobicContact SD-CD2 4.5Å; M155-I233 HydrophobicContact CB-CG2 4.28Å; M155-I233 HydrophobicContact CE-CB 4.01Å; M155-I233 HydrophobicContact CE-CG2 3.58Å; M155-I233 WeakPolarHBondContact CE-O 3.17Å; M155-I233 HydrophobicContact CG-CG2 4.08Å; M155-I233 WeakPolarHBondContact O-CD1 3.49Å; M155-E235 HydrophobicContact CE-CB 4.19Å; M155-E235 HydrophobicContact SD-CB 3.73Å; M155-R243 HydrophobicContact CE-CB 4.37Å; M155-R243 HydrophobicContact CE-CG 4.14Å; M155-R243 HydrophobicContact SD-CB 4.07Å; M155-R243 HydrophobicContact SD-CG 3.94Å; M155-V245 HydrophobicContact CE-CB 4.39Å; M155-V245 HydrophobicContact CE-CG2 3.95Å
156M95.2Very high92.4Very high18 Ų1845.2 Ų45.29%0.08924%0.238CC..Hα-helixtrans-70.9-38.8177-62.7-62.691.800111.6H151 D153 C154 I158 R159 D160 R243 V245H151-M156 WeakPolarHBondContact CE1-CB 3.23Å; H151-M156 VanDerWaalsContact CE1-CG 3.46Å; H151-M156 WeakPolarHBondContact CE1-CG 3Å; H151-M156 WeakPolarHBondContact ND1-CB 3.28Å; H151-M156 WeakPolarHBondContact NE2-CB 3.12Å; D153-M156 HydrophobicContact CB-CB 4.1Å; D153-M156 HydrophobicContact CB-CG 3.89Å; D153-M156 PolarHBondContact O-N 3.02Å; D153-M156 WeakPolarHBondContact OD2-CG 3.34Å; C154-M156 VanDerWaalsContact C-N 3.32Å; C154-M156 PolarHBondContact O-N 3.37Å; M156-I158 VanDerWaalsContact C-N 3.32Å; M156-I158 PolarHBondContact O-N 2.89Å; M156-R159 WeakPolarHBondContact O-CB 3.31Å; M156-R159 PolarHBondContact O-N 3.21Å; M156-D160 PolarHBondContact O-N 3.12Å; M156-R243 VanDerWaalsContact CE-NH2 3.35Å; M156-V245 HydrophobicContact CE-CB 4.21Å; M156-V245 HydrophobicContact CE-CG1 3.86Å; M156-V245 HydrophobicContact CE-CG2 3.67Å
157A95.1Very high91.7Very high0 Ų045.4 Ų45.40%024%0.239CC..Hα-helixtrans-58-44.8171.200000111.6H149 D153 C154 D160 I161H149-A157 HydrophobicContact CB-CB 3.81Å; D153-A157 PolarHBondContact O-N 3.17Å; C154-A157 PolarHBondContact O-N 3.15Å; A157-D160 PolarHBondContact O-N 3.36Å; A157-I161 WeakPolarHBondContact O-CG2 3.32Å; A157-I161 PolarHBondContact O-N 3.23Å
158I96.3Very high91.6Very high2 Ų244.6 Ų44.61%0.0123%0.232CC..Hα-helixtrans-59.3-50.8174.4-68160.5000110.3I146 C154 M155 M156 D160 I161 M162 I173 L180 V182 I233I146-I158 HydrophobicContact CD1-CG1 3.84Å; I146-I158 HydrophobicContact CG1-CG1 4.14Å; I146-I158 HydrophobicContact CG2-CG1 4.39Å; C154-I158 WeakPolarHBondContact O-CD1 3.46Å; C154-I158 VanDerWaalsContact O-CG1 3.26Å; C154-I158 WeakPolarHBondContact O-CG1 3.22Å; C154-I158 PolarHBondContact O-N 3.14Å; M155-I158 PolarHBondContact O-N 2.59Å; M156-I158 VanDerWaalsContact C-N 3.32Å; M156-I158 PolarHBondContact O-N 2.89Å; I158-D160 PolarHBondContact O-N 3.35Å; I158-I161 WeakPolarHBondContact O-CG1 3.48Å; I158-I161 PolarHBondContact O-N 2.85Å; I158-I161 VanDerWaalsContact O-N 3.17Å; I158-M162 HydrophobicContact CG2-CG 4.26Å; I158-M162 HydrophobicContact CG2-SD 4.12Å; I158-M162 VanDerWaalsContact O-CG 3.26Å; I158-M162 WeakPolarHBondContact O-CG 3.37Å; I158-M162 PolarHBondContact O-N 3.11Å; I158-I173 HydrophobicContact CD1-CD1 3.52Å; I158-I173 HydrophobicContact CG1-CD1 4.05Å; I158-L180 HydrophobicContact CD1-CB 4.4Å; I158-L180 HydrophobicContact CD1-CD1 3.51Å; I158-V182 HydrophobicContact CD1-CG2 4.36Å; I158-V182 HydrophobicContact CG2-CG1 3.89Å; I158-V182 HydrophobicContact CG2-CG2 3.89Å; I158-I233 HydrophobicContact CB-CD1 4.04Å; I158-I233 HydrophobicContact CG2-CD1 3.64Å; I158-I233 HydrophobicContact CG2-CG1 3.93Å; I158-I233 HydrophobicContact CG2-CG2 4.4Å
159R95.7Very high91.7Very high87 Ų8741.9 Ų41.933%0.32821%0.213SC..Hα-helixtrans-52.5-44.2179.4-169.7-160.167.9-177.8-3.4112M155 M156 M162 I233 V245 V247M155-R159 WeakPolarHBondContact O-CB 3.18Å; M155-R159 PolarHBondContact O-N 3.35Å; M156-R159 WeakPolarHBondContact O-CB 3.31Å; M156-R159 PolarHBondContact O-N 3.21Å; R159-M162 PolarHBondContact O-N 3.29Å; R159-I233 HydrophobicContact CB-CD1 3.69Å; R159-I233 HydrophobicContact CG-CD1 4.37Å; R159-V245 HydrophobicContact CG-CG1 4.34Å; R159-V247 HydrophobicContact CB-CG2 4.3Å; R159-V247 HydrophobicContact CG-CG2 3.38Å
160D94.2Very high91.9Very high44 Ų4439.3 Ų39.324%0.23520%0.201CC..Hα-helixtrans-72.3-39.9-177.1-63.9-12.9000111.2H149 M156 A157 I158 M162 W163H149-D160 IonicContact CE1-OD2 3.4Å; H149-D160 PolarHBondContact CE1-OD2 3.21Å; H149-D160 IonicContact NE2-OD2 3.92Å; M156-D160 PolarHBondContact O-N 3.12Å; A157-D160 PolarHBondContact O-N 3.36Å; I158-D160 PolarHBondContact O-N 3.35Å; D160-M162 VanDerWaalsContact C-N 3.32Å; D160-M162 PolarHBondContact O-N 3.13Å; D160-W163 PolarHBondContact O-N 3.29Å
161I94.6Very high92.2Very high10 Ų1030.2 Ų30.25%0.05116%0.159CC..Hα-helixtrans-71.4-23.9176.568.6157.7000113.3I142 L145 I146 A157 I158 W163 T164 L165I142-I161 HydrophobicContact CG2-CD1 4.22Å; L145-I161 HydrophobicContact CB-CD1 4.26Å; L145-I161 HydrophobicContact CB-CG2 4.29Å; I146-I161 HydrophobicContact CD1-CD1 4.06Å; I146-I161 HydrophobicContact CG1-CD1 3.36Å; I146-I161 HydrophobicContact CG1-CG1 4.38Å; A157-I161 WeakPolarHBondContact O-CG2 3.32Å; A157-I161 PolarHBondContact O-N 3.23Å; I158-I161 WeakPolarHBondContact O-CG1 3.48Å; I158-I161 PolarHBondContact O-N 2.85Å; I158-I161 VanDerWaalsContact O-N 3.17Å; I161-W163 PolarHBondContact O-N 3.36Å; I161-W163 VanDerWaalsContact O-N 3.13Å; I161-T164 WeakPolarHBondContact O-CA 3.37Å; I161-T164 WeakPolarHBondContact O-CB 3.44Å; I161-T164 PolarHBondContact O-N 3.31Å; I161-L165 HydrophobicContact CD1-CD1 4.13Å; I161-L165 WeakPolarHBondContact O-CG 3.38Å; I161-L165 PolarHBondContact O-N 3.19Å; I161-L165 VanDerWaalsContact O-N 3.07Å
162M94.8Very high92.6Very high4 Ų426.6 Ų26.62%0.0214%0.142CC..Hα-helixtrans-58.6-27177.8-75.3175.674.500112.3I158 R159 D160 T164 Y169 V182 R183 P185 I233 V247I158-M162 HydrophobicContact CG2-CG 4.26Å; I158-M162 HydrophobicContact CG2-SD 4.12Å; I158-M162 VanDerWaalsContact O-CG 3.26Å; I158-M162 WeakPolarHBondContact O-CG 3.37Å; I158-M162 PolarHBondContact O-N 3.11Å; R159-M162 PolarHBondContact O-N 3.29Å; D160-M162 VanDerWaalsContact C-N 3.32Å; D160-M162 PolarHBondContact O-N 3.13Å; M162-T164 VanDerWaalsContact C-N 3.3Å; M162-Y169 WeakPolarHBondContact CA-OH 3.29Å; M162-Y169 WeakPolarHBondContact CB-OH 3.4Å; M162-Y169 HydrophobicContact CE-CE2 4.35Å; M162-Y169 HydrophobicContact CG-CE2 4.3Å; M162-Y169 WeakPolarHBondContact CG-OH 3.16Å; M162-V182 HydrophobicContact CE-CG1 4.13Å; M162-V182 HydrophobicContact SD-CG1 3.83Å; M162-R183 VanDerWaalsContact CE-O 3.25Å; M162-R183 WeakPolarHBondContact CE-O 3.27Å; M162-P185 HydrophobicContact CE-CG 4.12Å; M162-I233 HydrophobicContact SD-CD1 3.73Å; M162-I233 HydrophobicContact SD-CG1 3.7Å; M162-V247 HydrophobicContact CB-CG2 4.43Å; M162-V247 HydrophobicContact CE-CB 4.29Å; M162-V247 HydrophobicContact CE-CG2 4.33Å; M162-V247 HydrophobicContact SD-CG2 3.96Å
163W89.1Confident93.1Very high145 Ų14522.2 Ų22.255%0.54911%0.106SC..THydrogen-bonded Turntrans-72.3-22.1172.6-66.8106.4000114D160 I161 V247 S248 P250D160-W163 PolarHBondContact O-N 3.29Å; I161-W163 PolarHBondContact O-N 3.36Å; I161-W163 VanDerWaalsContact O-N 3.13Å; W163-V247 HydrophobicContact CD2-CG1 4.15Å; W163-V247 VanDerWaalsContact CE2-CG1 3.49Å; W163-V247 HydrophobicContact CH2-CG1 3.97Å; W163-V247 HydrophobicContact CZ2-CG1 3.42Å; W163-V247 VanDerWaalsContact CZ2-CG1 3.42Å; W163-S248 WeakPolarHBondContact CH2-O 3.43Å; W163-P250 HydrophobicContact CZ3-CB 4.5Å; W163-P250 HydrophobicContact CZ3-CG 4.14Å
164T88.5Confident93.4Very high62 Ų6220.1 Ų20.138%0.3810%0.095SC..THydrogen-bonded Turntrans-89.5-29.5178.5-54.50000111.5N118 V122 I161 M162N118-T164 PolarHBondContact ND2-O 2.87Å; V122-T164 HydrophobicContact CG2-CG2 4.28Å; I161-T164 WeakPolarHBondContact O-CA 3.37Å; I161-T164 WeakPolarHBondContact O-CB 3.44Å; I161-T164 PolarHBondContact O-N 3.31Å; M162-T164 VanDerWaalsContact C-N 3.3Å
165L91.1Very high93.5Very high10 Ų1020.3 Ų20.35%0.05210%0.096CC..  trans-82120179.4-59.3-178.9000110.4L116 I142 L145 I161 Y169L116-L165 HydrophobicContact CD1-CD2 3.85Å; L116-L165 HydrophobicContact CD2-CB 4.08Å; L116-L165 HydrophobicContact CD2-CD2 4.27Å; I142-L165 HydrophobicContact CD1-CD1 4.34Å; I142-L165 HydrophobicContact CG1-CD1 4.01Å; I142-L165 HydrophobicContact CG1-CD2 4.27Å; I142-L165 HydrophobicContact CG2-CD1 4.38Å; L145-L165 HydrophobicContact CD1-CD2 3.91Å; I161-L165 HydrophobicContact CD1-CD1 4.13Å; I161-L165 WeakPolarHBondContact O-CG 3.38Å; I161-L165 PolarHBondContact O-N 3.19Å; I161-L165 VanDerWaalsContact O-N 3.07Å; L165-Y169 HydrophobicContact CB-CD1 4.39Å; L165-Y169 HydrophobicContact CB-CE1 3.57Å; L165-Y169 HydrophobicContact CD1-CE1 4.1Å
166S86.3Confident93.4Very high28 Ų2821.4 Ų21.420%0.19611%0.105CC..  trans-100.3148.3175.6-174.80000110.8L116 S117 N118L116-S166 WeakPolarHBondContact CA-O 3.39Å; S117-S166 PolarHBondContact N-O 3.11Å; S117-S166 WeakPolarHBondContact OG-CB 3.32Å; S117-S166 PolarHBondContact OG-OG 2.83Å; N118-S166 VanDerWaalsContact CG-CB 3.42Å; N118-S166 WeakPolarHBondContact OD1-CB 3.38Å; N118-S166 PolarHBondContact OD1-N 3.1Å
167A79.5Confident93.3Very high4 Ų424.4 Ų24.43%0.03312%0.121CC..EExtended strand (participates in β ladder)trans85.7-119.9177.800000116.1F422 V486A167-F422 HydrophobicContact CB-CD1 3.48Å; A167-F422 VanDerWaalsContact CB-CD1 3.48Å; A167-F422 HydrophobicContact CB-CE1 3.51Å; A167-V486 HydrophobicContact CB-CG2 3.99Å
168S91.4Very high93.3Very high0 Ų027.6 Ų27.60%013%0.133CC..EExtended strand (participates in β ladder)trans-131.6120.7-151.7160.90000110.2G114 E115 N188 R189 F422G114-S168 CarbonylContact C-O 3.31Å; G114-S168 VanDerWaalsContact CA-O 3.26Å; G114-S168 WeakPolarHBondContact CA-O 3.32Å; E115-S168 PolarHBondContact N-O 2.69Å; E115-S168 PolarHBondContact O-N 3.1Å; S168-N188 PolarHBondContact OG-OD1 3.46Å; S168-R189 VanDerWaalsContact OG-CG 3.25Å; S168-R189 WeakPolarHBondContact OG-CG 3.44Å; S168-F422 PolarHBondContact OG-O 3.25Å
169Y94.1Very high93.4Very high0 Ų027.5 Ų27.50%013%0.133CC..EExtended strand (participates in β ladder)trans-157.1134.4174.251.2-92.5000111.2H112 N113 L116 M162 L165 L171 V182 D184 P185H112-Y169 WeakPolarHBondContact NE2-CB 3.22Å; N113-Y169 CarbonylContact O-C 3.56Å; N113-Y169 WeakPolarHBondContact O-CA 3.21Å; L116-Y169 HydrophobicContact CD2-CD1 3.74Å; L116-Y169 HydrophobicContact CD2-CE1 4.29Å; M162-Y169 WeakPolarHBondContact CA-OH 3.29Å; M162-Y169 WeakPolarHBondContact CB-OH 3.4Å; M162-Y169 HydrophobicContact CE-CE2 4.35Å; M162-Y169 HydrophobicContact CG-CE2 4.3Å; M162-Y169 WeakPolarHBondContact CG-OH 3.16Å; L165-Y169 HydrophobicContact CB-CD1 4.39Å; L165-Y169 HydrophobicContact CB-CE1 3.57Å; L165-Y169 HydrophobicContact CD1-CE1 4.1Å; Y169-L171 HydrophobicContact CD2-CD1 3.73Å; Y169-L171 HydrophobicContact CD2-CG 3.91Å; Y169-L171 HydrophobicContact CE2-CD1 4.27Å; Y169-L171 HydrophobicContact CG-CD1 4.41Å; Y169-L171 HydrophobicContact CG-CG 4.44Å; Y169-V182 HydrophobicContact CE2-CG1 4.3Å; Y169-D184 HydrophobicContact CD1-CB 3.82Å; Y169-D184 HydrophobicContact CD2-CB 3.86Å; Y169-D184 HydrophobicContact CE1-CB 3.72Å; Y169-D184 HydrophobicContact CE2-CB 3.77Å; Y169-D184 HydrophobicContact CG-CB 3.88Å; Y169-D184 PolarHBondContact N-OD2 3.48Å; Y169-D184 WeakPolarHBondContact O-CB 3.05Å; Y169-D184 PolarHBondContact O-N 3.31Å; Y169-D184 VanDerWaalsContact O-OD2 3.11Å; Y169-P185 WeakPolarHBondContact OH-CD 3.31Å
170S96.5Very high93.5Very high0 Ų023.3 Ų23.30%012%0.117CC..EExtended strand (participates in β ladder)trans-110.3127.1153.4-68.20000107.3I7 H112 N113 V182 R189 P190I7-S170 WeakPolarHBondContact CD1-O 3.24Å; H112-S170 WeakPolarHBondContact CA-O 3.45Å; N113-S170 PolarHBondContact N-O 3.29Å; N113-S170 PolarHBondContact O-N 3.1Å; S170-V182 CarbonylContact C-O 3.11Å; S170-V182 WeakPolarHBondContact CA-O 3.49Å; S170-R189 VanDerWaalsContact OG-CB 3.28Å; S170-R189 WeakPolarHBondContact OG-CB 3.24Å; S170-R189 PolarHBondContact OG-O 2.8Å; S170-R189 VanDerWaalsContact OG-O 3.09Å; S170-P190 PolarHBondContact OG-O 2.66Å
171L97.1Very high93.7Very high2 Ų221.2 Ų21.21%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-122143.4-177.7-50165.5000109.2I110 A111 H112 I142 Y169 V182I110-L171 HydrophobicContact CD1-CD2 4.33Å; A111-L171 VanDerWaalsContact O-CA 3.31Å; A111-L171 WeakPolarHBondContact O-CA 3.46Å; H112-L171 HydrophobicContact CB-CD2 3.51Å; H112-L171 WeakPolarHBondContact CD2-CD2 3.47Å; I142-L171 HydrophobicContact CD1-CD1 4.32Å; I142-L171 HydrophobicContact CD1-CD2 3.88Å; I142-L171 HydrophobicContact CG2-CD1 3.95Å; Y169-L171 HydrophobicContact CD2-CD1 3.73Å; Y169-L171 HydrophobicContact CD2-CG 3.91Å; Y169-L171 HydrophobicContact CE2-CD1 4.27Å; Y169-L171 HydrophobicContact CG-CD1 4.41Å; Y169-L171 HydrophobicContact CG-CG 4.44Å; L171-V182 HydrophobicContact CB-CB 4.09Å; L171-V182 HydrophobicContact CB-CG2 4.49Å; L171-V182 HydrophobicContact CD1-CB 4.4Å; L171-V182 PolarHBondContact N-O 3.15Å; L171-V182 PolarHBondContact O-N 3.47Å
172V98.5Very high93.9Very high0 Ų020.8 Ų20.80%010%0.103CC..EExtended strand (participates in β ladder)trans-122.6126.9158.1-174.60000108.1I7 A9 L79 I110 A111 L180 L191 V209I7-V172 HydrophobicContact CG2-CB 3.87Å; I7-V172 HydrophobicContact CG2-CG2 3.62Å; A9-V172 HydrophobicContact CB-CB 4.45Å; A9-V172 HydrophobicContact CB-CG1 3.64Å; L79-V172 HydrophobicContact CD1-CB 3.73Å; L79-V172 HydrophobicContact CD1-CG1 3.8Å; L79-V172 WeakPolarHBondContact CD2-O 3.29Å; I110-V172 WeakPolarHBondContact CA-O 3.48Å; A111-V172 PolarHBondContact N-O 2.95Å; A111-V172 PolarHBondContact O-N 2.98Å; V172-L180 WeakPolarHBondContact CA-O 3.43Å; V172-L191 HydrophobicContact CG2-CD1 4.12Å; V172-V209 HydrophobicContact CG2-CB 4.08Å; V172-V209 HydrophobicContact CG2-CG1 3.62Å
173I97.8Very high93.9Very high0 Ų021.1 Ų21.10%010%0.104CC..EExtended strand (participates in β ladder)trans-112.5124.4178-63.4159.9000107.5M108 A109 I110 I146 I158 L179 L180 V182M108-I173 HydrophobicContact CE-CG2 3.48Å; M108-I173 VanDerWaalsContact CE-CG2 3.48Å; M108-I173 HydrophobicContact CG-CG2 3.54Å; M108-I173 HydrophobicContact SD-CG2 3.48Å; M108-I173 WeakPolarHBondContact SD-CG2 3.19Å; A109-I173 CarbonylContact O-C 3.46Å; A109-I173 VanDerWaalsContact O-CA 3.31Å; A109-I173 WeakPolarHBondContact O-CA 3.44Å; I110-I173 HydrophobicContact CB-CG1 4.36Å; I110-I173 HydrophobicContact CD1-CD1 4.35Å; I110-I173 HydrophobicContact CD1-CG1 3.92Å; I110-I173 HydrophobicContact CG1-CG1 3.87Å; I146-I173 HydrophobicContact CD1-CD1 3.52Å; I158-I173 HydrophobicContact CD1-CD1 3.52Å; I158-I173 HydrophobicContact CG1-CD1 4.05Å; I173-L179 CarbonylContact O-C 3.39Å; I173-L179 WeakPolarHBondContact O-CA 3.43Å; I173-L180 HydrophobicContact CB-CB 4.2Å; I173-L180 PolarHBondContact N-O 3.33Å; I173-L180 PolarHBondContact O-N 3.03Å; I173-V182 HydrophobicContact CD1-CG2 4.41Å
174M97.3Very high94.2Very high0 Ų014.2 Ų14.20%08%0.078CC..EExtended strand (participates in β ladder)trans-103.1120.4175.6-178.3177.781.600109.2V42 F51 A77 L79 M108 A109 L179V42-M174 HydrophobicContact CB-CE 4.2Å; V42-M174 HydrophobicContact CG1-CE 3.73Å; F51-M174 HydrophobicContact CD2-CE 3.65Å; F51-M174 HydrophobicContact CE2-CE 3.6Å; F51-M174 HydrophobicContact CG-CE 4.18Å; F51-M174 HydrophobicContact CZ-CE 4.12Å; A77-M174 HydrophobicContact CB-CG 4.22Å; A77-M174 HydrophobicContact CB-SD 3.87Å; L79-M174 HydrophobicContact CB-CB 4.1Å; L79-M174 HydrophobicContact CB-SD 4.05Å; L79-M174 HydrophobicContact CD2-CB 4.12Å; M108-M174 WeakPolarHBondContact CA-O 3.4Å; A109-M174 HydrophobicContact CB-CB 4.34Å; A109-M174 HydrophobicContact CB-CE 4.16Å; A109-M174 PolarHBondContact N-O 2.51Å; A109-M174 PolarHBondContact O-N 3.01Å; M174-L179 HydrophobicContact CB-CD2 3.79Å; M174-L179 HydrophobicContact CG-CD2 3.73Å; M174-L179 HydrophobicContact SD-CD2 4.39Å
175L94.9Very high94.4Very high9 Ų911.5 Ų11.55%0.0476%0.062CC..  trans-94.6-177.4162.7-62176.1000108.4M108 C154 D177 R178 L180M108-L175 HydrophobicContact CB-CD2 4.29Å; M108-L175 HydrophobicContact CE-CD2 3.73Å; C154-L175 HydrophobicContact CB-CD1 4.41Å; L175-D177 VanDerWaalsContact C-N 3.35Å; L175-D177 PolarHBondContact O-N 3.39Å; L175-R178 HydrophobicContact CB-CG 4.11Å; L175-R178 HydrophobicContact CD1-CG 4.15Å; L175-R178 VanDerWaalsContact CD1-CZ 3.5Å; L175-R178 PolarHBondContact N-O 3.45Å; L175-L180 HydrophobicContact CD1-CD1 4.35Å
176A93.5Very high94.4Very high24 Ų2412.5 Ų12.520%0.1987%0.065CC..SBendtrans-58.5-46.1-176.300000112.5S44 G46S44-A176 WeakPolarHBondContact CB-O 3.48Å; S44-A176 WeakPolarHBondContact OG-CA 3.48Å; S44-A176 PolarHBondContact OG-O 3.49Å; G46-A176 VanDerWaalsContact CA-O 3.24Å; G46-A176 WeakPolarHBondContact CA-O 3.31Å
177D92.4Very high94.7Very high81 Ų8111.2 Ų11.243%0.4336%0.057SC..SBendtrans-116.42.3-167.765.7-20.1000114.5I11 L175I11-D177 WeakPolarHBondContact CD1-O 3.49Å; L175-D177 VanDerWaalsContact C-N 3.35Å; L175-D177 PolarHBondContact O-N 3.39Å
178R95.6Very high95.4Very high67 Ų6711.2 Ų11.225%0.2536%0.056SC..  trans-157.7160.2-173.965.8-163.9-173-88.94.8113.9L175 E235 L236 T237L175-R178 HydrophobicContact CB-CG 4.11Å; L175-R178 HydrophobicContact CD1-CG 4.15Å; L175-R178 VanDerWaalsContact CD1-CZ 3.5Å; L175-R178 PolarHBondContact N-O 3.45Å; R178-E235 WeakPolarHBondContact CD-OE1 3.48Å; R178-E235 IonicContact CZ-OE1 2.65Å; R178-E235 IonicContact NE-OE1 3.62Å; R178-E235 PolarHBondContact NE-OE1 2.99Å; R178-L236 WeakPolarHBondContact CA-O 3.2Å; R178-L236 WeakPolarHBondContact CB-O 3.42Å; R178-T237 HydrophobicContact CB-CG2 4.13Å
179L97.9Very high95.5Very high0 Ų011.2 Ų11.20%06%0.056CC..EExtended strand (participates in β ladder)trans-112139.8175.4-56.6176000109.7A9 I11 I173 M174 E235 L236A9-L179 HydrophobicContact CB-CD1 3.83Å; A9-L179 HydrophobicContact CB-CD2 4.25Å; I11-L179 HydrophobicContact CB-CD1 4.02Å; I11-L179 HydrophobicContact CB-CG 4.26Å; I11-L179 HydrophobicContact CG2-CD1 4.06Å; I11-L179 HydrophobicContact CG2-CG 4.46Å; I173-L179 CarbonylContact O-C 3.39Å; I173-L179 WeakPolarHBondContact O-CA 3.43Å; M174-L179 HydrophobicContact CB-CD2 3.79Å; M174-L179 HydrophobicContact CG-CD2 3.73Å; M174-L179 HydrophobicContact SD-CD2 4.39Å; L179-E235 WeakPolarHBondContact O-CA 3.45Å; L179-L236 HydrophobicContact CB-CB 4.4Å; L179-L236 PolarHBondContact N-O 3.29Å; L179-L236 PolarHBondContact O-N 3.32Å
180L98.2Very high95.6Very high0 Ų011.2 Ų11.20%06%0.056CC..EExtended strand (participates in β ladder)trans-112.6114.5168.8-50.1177.1000108.2C154 M155 I158 V172 I173 L175 V234 E235C154-L180 HydrophobicContact CB-CD1 4.25Å; M155-L180 HydrophobicContact CG-CD1 4.4Å; M155-L180 HydrophobicContact CG-CD2 3.87Å; M155-L180 HydrophobicContact SD-CD2 4.5Å; I158-L180 HydrophobicContact CD1-CB 4.4Å; I158-L180 HydrophobicContact CD1-CD1 3.51Å; V172-L180 WeakPolarHBondContact CA-O 3.43Å; I173-L180 HydrophobicContact CB-CB 4.2Å; I173-L180 PolarHBondContact N-O 3.33Å; I173-L180 PolarHBondContact O-N 3.03Å; L175-L180 HydrophobicContact CD1-CD1 4.35Å; L180-V234 CarbonylContact C-O 3.52Å; L180-V234 VanDerWaalsContact CA-O 3.29Å; L180-V234 WeakPolarHBondContact CA-O 3.48Å; L180-E235 HydrophobicContact CD2-CB 3.77Å; L180-E235 HydrophobicContact CD2-CG 3.71Å
181A98.5Very high95.6Very high0 Ų011.3 Ų11.30%06%0.056CC..EExtended strand (participates in β ladder)trans-94.1125.5172.700000108.9L191 V209 V228 I233 V234 L236A181-L191 HydrophobicContact CB-CD2 3.97Å; A181-V209 HydrophobicContact CB-CB 4.48Å; A181-V209 HydrophobicContact CB-CG1 3.71Å; A181-V209 HydrophobicContact CB-CG2 3.96Å; A181-V228 HydrophobicContact CB-CG2 4Å; A181-I233 CarbonylContact O-C 3.6Å; A181-I233 WeakPolarHBondContact O-CA 3.46Å; A181-V234 HydrophobicContact CB-CB 4.33Å; A181-V234 PolarHBondContact N-O 2.85Å; A181-V234 PolarHBondContact O-N 3Å; A181-L236 HydrophobicContact CB-CD1 4.17Å
182V98.2Very high95.5Very high0 Ų011.5 Ų11.50%06%0.058CC..EExtended strand (participates in β ladder)trans-128.5130.6-175.3-170.20000109.4I158 M162 Y169 S170 L171 I173 L191 E232 I233I158-V182 HydrophobicContact CD1-CG2 4.36Å; I158-V182 HydrophobicContact CG2-CG1 3.89Å; I158-V182 HydrophobicContact CG2-CG2 3.89Å; M162-V182 HydrophobicContact CE-CG1 4.13Å; M162-V182 HydrophobicContact SD-CG1 3.83Å; Y169-V182 HydrophobicContact CE2-CG1 4.3Å; S170-V182 CarbonylContact C-O 3.11Å; S170-V182 WeakPolarHBondContact CA-O 3.49Å; L171-V182 HydrophobicContact CB-CB 4.09Å; L171-V182 HydrophobicContact CB-CG2 4.49Å; L171-V182 HydrophobicContact CD1-CB 4.4Å; L171-V182 PolarHBondContact N-O 3.15Å; L171-V182 PolarHBondContact O-N 3.47Å; I173-V182 HydrophobicContact CD1-CG2 4.41Å; V182-L191 WeakPolarHBondContact O-CD2 3.28Å; V182-E232 WeakPolarHBondContact CA-O 3.32Å; V182-I233 HydrophobicContact CG1-CG1 4.11Å; V182-I233 HydrophobicContact CG2-CG2 4.19Å
183R96.1Very high95.4Very high11 Ų1111.5 Ų11.54%0.0426%0.058CC..EExtended strand (participates in β ladder)trans-119.6136173-158.2177.5-178.1171.7-2109.4M162 G187 R189 E227 V228 G231 E232 F257M162-R183 VanDerWaalsContact CE-O 3.25Å; M162-R183 WeakPolarHBondContact CE-O 3.27Å; R183-G187 PolarHBondContact NH2-O 3.2Å; R183-R189 PolarHBondContact NE-O 2.76Å; R183-R189 PolarHBondContact NH2-O 3.43Å; R183-E227 IonicContact CZ-OE1 2.69Å; R183-E227 IonicContact NH1-OE1 3.59Å; R183-E227 PolarHBondContact NH1-OE1 3.04Å; R183-E227 IonicContact NH2-OE1 2.78Å; R183-V228 HydrophobicContact CB-CB 4.36Å; R183-V228 HydrophobicContact CB-CG1 3.8Å; R183-V228 WeakPolarHBondContact CD-O 3.27Å; R183-V228 PolarHBondContact NH1-O 3.42Å; R183-G231 CarbonylContact O-C 3.58Å; R183-G231 VanDerWaalsContact O-CA 3.24Å; R183-G231 WeakPolarHBondContact O-CA 3.29Å; R183-G231 PolarHBondContact O-N 2.94Å; R183-E232 PolarHBondContact N-O 2.88Å; R183-F257 VanDerWaalsContact NH2-CD2 3.28Å; R183-F257 VanDerWaalsContact NH2-CE2 3.32Å
184D94.8Very high95.2Very high0 Ų011.5 Ų11.50%06%0.058CC..  trans-55.3154.5179.667.380000112Y169 W186 G187 N188 G231Y169-D184 HydrophobicContact CD1-CB 3.82Å; Y169-D184 HydrophobicContact CD2-CB 3.86Å; Y169-D184 HydrophobicContact CE1-CB 3.72Å; Y169-D184 HydrophobicContact CE2-CB 3.77Å; Y169-D184 HydrophobicContact CG-CB 3.88Å; Y169-D184 PolarHBondContact N-OD2 3.48Å; Y169-D184 WeakPolarHBondContact O-CB 3.05Å; Y169-D184 PolarHBondContact O-N 3.31Å; Y169-D184 VanDerWaalsContact O-OD2 3.11Å; D184-W186 PolarHBondContact O-N 2.86Å; D184-W186 VanDerWaalsContact OD1-CA 3.31Å; D184-W186 WeakPolarHBondContact OD1-CA 3.44Å; D184-W186 VanDerWaalsContact OD1-CB 3.28Å; D184-W186 WeakPolarHBondContact OD1-CB 3.28Å; D184-W186 PolarHBondContact OD1-N 3.32Å; D184-G187 PolarHBondContact O-N 3.11Å; D184-G187 PolarHBondContact OD1-N 2.97Å; D184-N188 PolarHBondContact OD1-N 3.02Å; D184-N188 VanDerWaalsContact OD1-N 3.09Å; D184-N188 PolarHBondContact OD2-N 3.29Å; D184-N188 VanDerWaalsContact OD2-N 3.16Å; D184-G231 PolarHBondContact O-N 3.19Å
185P93Very high95Very high6 Ų611.6 Ų11.64%0.0396%0.058CC..THydrogen-bonded Turntrans-53.6-29.5-178.8-28.936.2000114.4M162 Y169 G187 P230 V247 Q249M162-P185 HydrophobicContact CE-CG 4.12Å; Y169-P185 WeakPolarHBondContact OH-CD 3.31Å; P185-G187 VanDerWaalsContact C-N 3.33Å; P185-P230 WeakPolarHBondContact O-CB 3.5Å; P185-V247 HydrophobicContact CG-CG1 4.42Å; P185-Q249 VanDerWaalsContact O-CG 3.23Å; P185-Q249 WeakPolarHBondContact O-CG 3.46Å; P185-Q249 PolarHBondContact O-NE2 3.47Å
186W92Very high94.9Very high30 Ų3012 Ų1211%0.1146%0.061CC..THydrogen-bonded Turntrans-83.6-12179.4-51.397.7000112.7D184 N188 Q249 P250 K254 S255 A256 P485 V486D184-W186 PolarHBondContact O-N 2.86Å; D184-W186 VanDerWaalsContact OD1-CA 3.31Å; D184-W186 WeakPolarHBondContact OD1-CA 3.44Å; D184-W186 VanDerWaalsContact OD1-CB 3.28Å; D184-W186 WeakPolarHBondContact OD1-CB 3.28Å; D184-W186 PolarHBondContact OD1-N 3.32Å; W186-N188 VanDerWaalsContact C-N 3.27Å; W186-N188 PolarHBondContact O-N 3.4Å; W186-Q249 HydrophobicContact CE3-CG 4.21Å; W186-Q249 HydrophobicContact CZ3-CB 4.33Å; W186-Q249 HydrophobicContact CZ3-CG 4.38Å; W186-P250 HydrophobicContact CZ2-CB 4.48Å; W186-P250 HydrophobicContact CZ2-CG 4.1Å; W186-K254 VanDerWaalsContact CE3-O 3.22Å; W186-K254 WeakPolarHBondContact CZ3-O 2.87Å; W186-S255 CarbonylContact O-C 3.54Å; W186-S255 WeakPolarHBondContact O-CA 3.15Å; W186-A256 HydrophobicContact CB-CB 4.19Å; W186-A256 PolarHBondContact O-N 3.13Å; W186-P485 HydrophobicContact CD2-CB 4.27Å; W186-P485 HydrophobicContact CE3-CB 4.11Å; W186-P485 HydrophobicContact CZ3-CB 4.41Å; W186-V486 HydrophobicContact CD2-CG1 4.44Å; W186-V486 VanDerWaalsContact CE2-CG1 3.48Å; W186-V486 HydrophobicContact CZ2-CG1 3.67Å
187G92.5Very high94.6Very high2 Ų212 Ų122%0.0216%0.061CC..  trans6430.5-175.200000112.6R183 D184 P185 R189 F257R183-G187 PolarHBondContact NH2-O 3.2Å; D184-G187 PolarHBondContact O-N 3.11Å; D184-G187 PolarHBondContact OD1-N 2.97Å; P185-G187 VanDerWaalsContact C-N 3.33Å; G187-R189 PolarHBondContact O-N 2.87Å; G187-F257 WeakPolarHBondContact O-CD2 3.48Å
188N93.6Very high94.2Very high3 Ų38.5 Ų8.52%0.0164%0.044CC..  trans-63.3-46.5-166.9-171.8-96.8000113.3S168 D184 W186 A256 C258S168-N188 PolarHBondContact OG-OD1 3.46Å; D184-N188 PolarHBondContact OD1-N 3.02Å; D184-N188 VanDerWaalsContact OD1-N 3.09Å; D184-N188 PolarHBondContact OD2-N 3.29Å; D184-N188 VanDerWaalsContact OD2-N 3.16Å; W186-N188 VanDerWaalsContact C-N 3.27Å; W186-N188 PolarHBondContact O-N 3.4Å; N188-A256 PolarHBondContact ND2-O 3.16Å; N188-C258 WeakPolarHBondContact O-CB 3.46Å; N188-C258 PolarHBondContact O-N 2.9Å
189R94.1Very high93.3Very high0 Ų010.5 Ų10.50%07%0.068CC..SBendtrans-95.7148178.7-66.4-68.1136.1-1621.9111S168 S170 R183 G187 C258 E261 F422S168-R189 VanDerWaalsContact OG-CG 3.25Å; S168-R189 WeakPolarHBondContact OG-CG 3.44Å; S170-R189 VanDerWaalsContact OG-CB 3.28Å; S170-R189 WeakPolarHBondContact OG-CB 3.24Å; S170-R189 PolarHBondContact OG-O 2.8Å; S170-R189 VanDerWaalsContact OG-O 3.09Å; R183-R189 PolarHBondContact NE-O 2.76Å; R183-R189 PolarHBondContact NH2-O 3.43Å; G187-R189 PolarHBondContact O-N 2.87Å; R189-C258 PolarHBondContact NH2-SG 3.25Å; R189-E261 IonicContact NH1-OE1 3.92Å; R189-E261 PolarHBondContact NH1-OE1 3.25Å; R189-E261 VanDerWaalsContact NH1-OE1 3.14Å; R189-F422 PolarHBondContact NE-O 2.91Å; R189-F422 PolarHBondContact NH2-O 3.19Å
190P94.9Very high92.1Very high1 Ų114.9 Ų14.91%0.00611%0.113CC..  trans-76.9143.1-179.331.9-35000111.9S170 S211 F257 E261 Y272S170-P190 PolarHBondContact OG-O 2.66Å; P190-S211 VanDerWaalsContact CB-O 3.27Å; P190-S211 WeakPolarHBondContact CB-O 3.47Å; P190-S211 WeakPolarHBondContact CG-O 3.35Å; P190-F257 HydrophobicContact CB-CE2 3.99Å; P190-F257 HydrophobicContact CB-CZ 4.31Å; P190-E261 HydrophobicContact CG-CG 4.43Å; P190-Y272 HydrophobicContact CB-CD1 4.18Å; P190-Y272 HydrophobicContact CB-CE1 3.43Å; P190-Y272 VanDerWaalsContact CB-CE1 3.43Å; P190-Y272 HydrophobicContact CG-CE1 4.11Å
191L96.4Very high90.8Very high1 Ų118.6 Ų18.61%0.00514%0.136CC..  trans-153.4128.6172.4-164.265.2000108.9V172 A181 V182 V209 S210 V228V172-L191 HydrophobicContact CG2-CD1 4.12Å; A181-L191 HydrophobicContact CB-CD2 3.97Å; V182-L191 WeakPolarHBondContact O-CD2 3.28Å; L191-V209 HydrophobicContact CD1-CG1 3.57Å; L191-V209 HydrophobicContact CD2-CG1 4.21Å; L191-V209 HydrophobicContact CG-CG1 3.78Å; L191-S210 CarbonylContact C-O 3.6Å; L191-S210 WeakPolarHBondContact CA-O 3.45Å; L191-V228 HydrophobicContact CB-CB 4.19Å; L191-V228 HydrophobicContact CB-CG2 4.26Å; L191-V228 HydrophobicContact CD2-CB 4.22Å; L191-V228 HydrophobicContact CD2-CG1 4.42Å; L191-V228 HydrophobicContact CD2-CG2 3.95Å; L191-V228 HydrophobicContact CG-CB 4.34Å; L191-V228 HydrophobicContact CG-CG2 3.93Å; L191-V228 PolarHBondContact O-N 3Å
192C95.4Very high89.6Confident6 Ų623.6 Ų23.64%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-135.5157.6-177.865.50000111.8V209 S210 L224 R226 E227C192-V209 CarbonylContact O-C 3.54Å; C192-V209 VanDerWaalsContact O-CA 3.29Å; C192-V209 WeakPolarHBondContact O-CA 3.39Å; C192-S210 PolarHBondContact N-O 3.28Å; C192-S210 PolarHBondContact O-N 3.22Å; C192-S210 PolarHBondContact SG-O 2.49Å; C192-L224 HydrophobicContact CB-CD1 3.82Å; C192-R226 WeakPolarHBondContact CA-O 3.32Å; C192-E227 HydrophobicContact CB-CG 4.29Å
193I95.7Very high88.9Confident0 Ų027.7 Ų27.70%019%0.193CC..EExtended strand (participates in β ladder)trans-112.6134.8179.5-63.7169.9000108W207 F208 V209 V225 R226 V228 V234 L236 I241I193-W207 HydrophobicContact CG2-CE3 4.08Å; I193-W207 HydrophobicContact CG2-CZ3 4.41Å; I193-F208 CarbonylContact C-O 3.52Å; I193-F208 VanDerWaalsContact CA-O 3.31Å; I193-F208 WeakPolarHBondContact CA-O 3.38Å; I193-V209 HydrophobicContact CG1-CG2 4.45Å; I193-V225 HydrophobicContact CG2-CB 4.35Å; I193-V225 WeakPolarHBondContact O-CB 3.36Å; I193-V225 PolarHBondContact O-N 3.3Å; I193-R226 PolarHBondContact N-O 3.31Å; I193-R226 PolarHBondContact O-N 3.48Å; I193-V228 HydrophobicContact CD1-CG2 4Å; I193-V228 HydrophobicContact CG1-CG2 3.97Å; I193-V234 HydrophobicContact CD1-CB 4.26Å; I193-V234 HydrophobicContact CD1-CG1 3.84Å; I193-V234 HydrophobicContact CD1-CG2 4.27Å; I193-L236 HydrophobicContact CD1-CD1 4.09Å; I193-L236 HydrophobicContact CD1-CD2 4.28Å; I193-L236 HydrophobicContact CG1-CD2 4.29Å; I193-L236 HydrophobicContact CG2-CD2 3.7Å; I193-I241 HydrophobicContact CD1-CD1 3.96Å; I193-I241 HydrophobicContact CD1-CG1 4.41Å
194G93.7Very high88.6Confident0 Ų028.3 Ų28.30%020%0.196CC..EExtended strand (participates in β ladder)trans-129.4173.117000000112F208 S223G194-F208 VanDerWaalsContact CA-CD2 3.5Å; G194-F208 PolarHBondContact N-O 3.48Å; G194-F208 PolarHBondContact O-N 3.12Å; G194-S223 CarbonylContact C-O 3.57Å; G194-S223 WeakPolarHBondContact CA-O 3.35Å
195S93.4Very high88.5Confident2 Ų230.1 Ų30.11%0.01421%0.206CC..EExtended strand (participates in β ladder)trans-137.6154.8179.358.90000111.4M204 A206 F208 A222 S223 V225S195-M204 VanDerWaalsContact CB-SD 3.57Å; S195-M204 PolarHBondContact OG-SD 2.97Å; S195-A206 CarbonylContact C-O 3.59Å; S195-A206 WeakPolarHBondContact CA-O 3.37Å; S195-F208 VanDerWaalsContact N-CE2 3.31Å; S195-F208 VanDerWaalsContact O-CZ 3.22Å; S195-F208 WeakPolarHBondContact O-CZ 3.32Å; S195-A222 VanDerWaalsContact O-CA 3.32Å; S195-A222 WeakPolarHBondContact O-CA 3.41Å; S195-S223 PolarHBondContact N-O 3.14Å; S195-S223 PolarHBondContact O-N 3.37Å; S195-V225 WeakPolarHBondContact OG-CG2 3.29Å
196L92.2Very high88.6Confident19 Ų1929.9 Ų29.910%0.09920%0.204CC..EExtended strand (participates in β ladder)trans-112.4114.3174.6-16473.2000109.8V18 I23 M204 L205 A206 F208 P220 A222V18-L196 HydrophobicContact CG1-CD2 4Å; V18-L196 HydrophobicContact CG2-CD2 4.17Å; I23-L196 HydrophobicContact CD1-CD2 3.89Å; L196-M204 CarbonylContact O-C 3.53Å; L196-M204 WeakPolarHBondContact O-CA 3.48Å; L196-L205 PolarHBondContact O-N 2.83Å; L196-A206 HydrophobicContact CB-CB 3.99Å; L196-A206 HydrophobicContact CD2-CB 4.32Å; L196-A206 PolarHBondContact N-O 2.79Å; L196-F208 HydrophobicContact CB-CE1 3.8Å; L196-F208 HydrophobicContact CB-CZ 4.2Å; L196-F208 HydrophobicContact CD1-CE1 4.34Å; L196-F208 HydrophobicContact CD1-CZ 4.49Å; L196-P220 WeakPolarHBondContact CD1-O 3.49Å; L196-A222 HydrophobicContact CD1-CB 4.14Å
197A89.1Confident88.7Confident24 Ų2429.8 Ų29.820%0.19820%0.204CC..EExtended strand (participates in β ladder)trans-81.8145.5175.100000111.6M204 N221A197-M204 HydrophobicContact CB-CE 3.8Å; A197-M204 HydrophobicContact CB-SD 4.23Å; A197-N221 PolarHBondContact N-O 3.08Å; A197-N221 VanDerWaalsContact N-O 3.12Å
198G82.8Confident88.9Confident7 Ų729.7 Ų29.77%0.07220%0.203CC..  trans-69.1145.3167.900000111.4G200 T201 D203G198-G200 PolarHBondContact O-N 3.29Å; G198-G200 VanDerWaalsContact O-N 3.07Å; G198-T201 WeakPolarHBondContact CA-OG1 3.39Å; G198-T201 PolarHBondContact O-N 2.94Å; G198-T201 VanDerWaalsContact O-N 3.13Å; G198-T201 PolarHBondContact O-OG1 2.98Å; G198-D203 PolarHBondContact N-O 3.35Å
199S77.9Confident89.1Confident109 Ų10929.6 Ų29.676%0.76220%0.202SC*.THydrogen-bonded Turntrans-61.2115.9179.1-66.70000110.3T201 N221S199-T201 VanDerWaalsContact C-N 3.31Å; S199-T201 PolarHBondContact O-N 3.09Å; S199-N221 PolarHBondContact OG-ND2 2.91Å
200G72.4Confident89.3Confident92 Ų9229.6 Ų29.695%0.94820%0.202SC*.THydrogen-bonded Turntrans74.913.1179.500000115.3G198G198-G200 PolarHBondContact O-N 3.29Å; G198-G200 VanDerWaalsContact O-N 3.07Å
201T69.7Low89.4Confident77 Ų7729.5 Ų29.547%0.47220%0.202SC..  trans-128.8146.5178.865.10000111.2G198 S199 D203G198-T201 WeakPolarHBondContact CA-OG1 3.39Å; G198-T201 PolarHBondContact O-N 2.94Å; G198-T201 VanDerWaalsContact O-N 3.13Å; G198-T201 PolarHBondContact O-OG1 2.98Å; S199-T201 VanDerWaalsContact C-N 3.31Å; S199-T201 PolarHBondContact O-N 3.09Å; T201-D203 PolarHBondContact O-N 2.93Å
202S74.5Confident89.4Confident105 Ų10529.5 Ų29.573%0.73420%0.202SC*.SBendtrans-73.2-7.5169.453.90000113.5M204S202-M204 WeakPolarHBondContact O-CE 3.5Å; S202-M204 PolarHBondContact O-N 2.57Å
203D83.1Confident89.3Confident86 Ų8629.8 Ų29.846%0.4620%0.204SC..  trans-73.7125.3-179-93.825000111.3K13 G198 T201K13-D203 IonicContact NZ-OD2 2.84Å; G198-D203 PolarHBondContact N-O 3.35Å; T201-D203 PolarHBondContact O-N 2.93Å
204M89.3Confident89.3Confident25 Ų2529.9 Ų29.912%0.12321%0.205CC..EExtended strand (participates in β ladder)trans-76.6122.6171.9-60.8-62.3126.300109.7S195 L196 A197 S202 W207 W281S195-M204 VanDerWaalsContact CB-SD 3.57Å; S195-M204 PolarHBondContact OG-SD 2.97Å; L196-M204 CarbonylContact O-C 3.53Å; L196-M204 WeakPolarHBondContact O-CA 3.48Å; A197-M204 HydrophobicContact CB-CE 3.8Å; A197-M204 HydrophobicContact CB-SD 4.23Å; S202-M204 WeakPolarHBondContact O-CE 3.5Å; S202-M204 PolarHBondContact O-N 2.57Å; M204-W207 HydrophobicContact CB-CZ2 4.24Å; M204-W207 HydrophobicContact CG-CZ2 3.95Å; M204-W281 HydrophobicContact CE-CE3 3.78Å; M204-W281 HydrophobicContact CE-CH2 3.72Å; M204-W281 HydrophobicContact CE-CZ3 3.15Å; M204-W281 HydrophobicContact CG-CH2 4.17Å; M204-W281 HydrophobicContact CG-CZ3 4.3Å; M204-W281 HydrophobicContact SD-CH2 4.32Å; M204-W281 HydrophobicContact SD-CZ3 3.84Å
205L92.6Very high89.4Confident38 Ų3829.9 Ų29.920%0.19921%0.205CC..EExtended strand (participates in β ladder)trans-85.6-30179-56.8-174.9000112.3T12 K13 V14 V18 L196T12-L205 WeakPolarHBondContact CA-O 3.43Å; T12-L205 PolarHBondContact OG1-O 2.89Å; K13-L205 PolarHBondContact N-O 3.38Å; V14-L205 HydrophobicContact CG2-CB 4Å; V14-L205 HydrophobicContact CG2-CD2 3.92Å; V14-L205 HydrophobicContact CG2-CG 4.39Å; V18-L205 HydrophobicContact CG2-CB 3.92Å; V18-L205 HydrophobicContact CG2-CD1 3.91Å; L196-L205 PolarHBondContact O-N 2.83Å
206A94.4Very high89.4Confident0 Ų030.2 Ų30.20%021%0.206CC..EExtended strand (participates in β ladder)trans-151.8157.3179.700000111.7I11 V18 I23 S195 L196I11-A206 CarbonylContact O-C 3.59Å; I11-A206 VanDerWaalsContact O-CA 3.24Å; I11-A206 WeakPolarHBondContact O-CA 3.45Å; I11-A206 WeakPolarHBondContact O-CB 3.43Å; V18-A206 HydrophobicContact CG1-CB 4.08Å; I23-A206 HydrophobicContact CD1-CB 4.29Å; S195-A206 CarbonylContact C-O 3.59Å; S195-A206 WeakPolarHBondContact CA-O 3.37Å; L196-A206 HydrophobicContact CB-CB 3.99Å; L196-A206 HydrophobicContact CD2-CB 4.32Å; L196-A206 PolarHBondContact N-O 2.79Å
207W95.7Very high89.2Confident29 Ų2933.1 Ų33.111%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-124145.4171.6-67.583.1000108.9A10 I11 I193 M204 V225 L236 G240A10-W207 WeakPolarHBondContact CA-O 3.46Å; I11-W207 HydrophobicContact CG2-CB 4.08Å; I11-W207 PolarHBondContact N-O 2.99Å; I11-W207 PolarHBondContact O-N 2.9Å; I193-W207 HydrophobicContact CG2-CE3 4.08Å; I193-W207 HydrophobicContact CG2-CZ3 4.41Å; M204-W207 HydrophobicContact CB-CZ2 4.24Å; M204-W207 HydrophobicContact CG-CZ2 3.95Å; W207-V225 HydrophobicContact CZ3-CG1 4.24Å; W207-V225 HydrophobicContact CZ3-CG2 3.9Å; W207-L236 HydrophobicContact CB-CD2 4.12Å; W207-G240 VanDerWaalsContact NE1-CA 3.27Å
208F95.7Very high88.9Confident0 Ų034.3 Ų34.30%024%0.239CC..EExtended strand (participates in β ladder)trans-138.3154.217924.1-101000112.8F8 A9 A10 I23 I193 G194 S195 L196 F216 L219 A222F8-F208 HydrophobicContact CE1-CB 3.83Å; F8-F208 HydrophobicContact CE1-CG 4.46Å; F8-F208 HydrophobicContact CZ-CB 3.65Å; F8-F208 HydrophobicContact CZ-CD1 4.34Å; F8-F208 HydrophobicContact CZ-CD2 4.39Å; F8-F208 AromaticContact CZ-CG 3.91Å; F8-F208 HydrophobicContact CZ-CG 3.91Å; A9-F208 CarbonylContact O-C 3.53Å; A9-F208 WeakPolarHBondContact O-CA 3.14Å; A9-F208 WeakPolarHBondContact O-CB 3.46Å; A10-F208 HydrophobicContact CB-CB 4.38Å; I23-F208 HydrophobicContact CG2-CD1 4.15Å; I193-F208 CarbonylContact C-O 3.52Å; I193-F208 VanDerWaalsContact CA-O 3.31Å; I193-F208 WeakPolarHBondContact CA-O 3.38Å; G194-F208 VanDerWaalsContact CA-CD2 3.5Å; G194-F208 PolarHBondContact N-O 3.48Å; G194-F208 PolarHBondContact O-N 3.12Å; S195-F208 VanDerWaalsContact N-CE2 3.31Å; S195-F208 VanDerWaalsContact O-CZ 3.22Å; S195-F208 WeakPolarHBondContact O-CZ 3.32Å; L196-F208 HydrophobicContact CB-CE1 3.8Å; L196-F208 HydrophobicContact CB-CZ 4.2Å; L196-F208 HydrophobicContact CD1-CE1 4.34Å; L196-F208 HydrophobicContact CD1-CZ 4.49Å; F208-F216 AromaticContact CD2-CD1 3.75Å; F208-F216 HydrophobicContact CD2-CD1 3.75Å; F208-F216 AromaticContact CD2-CE1 3.45Å; F208-F216 HydrophobicContact CD2-CE1 3.45Å; F208-F216 VanDerWaalsContact CD2-CE1 3.45Å; F208-F216 AromaticContact CD2-CZ 3.96Å; F208-F216 HydrophobicContact CD2-CZ 3.96Å; F208-F216 AromaticContact CE2-CD1 3.73Å; F208-F216 HydrophobicContact CE2-CD1 3.73Å; F208-F216 HydrophobicContact CE2-CD2 4.5Å; F208-F216 AromaticContact CE2-CE1 3.88Å; F208-F216 HydrophobicContact CE2-CE1 3.88Å; F208-F216 HydrophobicContact CE2-CG 4.09Å; F208-F216 HydrophobicContact CE2-CZ 4.32Å; F208-F216 HydrophobicContact CG-CE1 4.47Å; F208-L219 HydrophobicContact CD1-CD1 4.37Å; F208-L219 HydrophobicContact CE1-CD1 4Å; F208-L219 HydrophobicContact CZ-CD1 4.16Å; F208-A222 HydrophobicContact CE2-CB 4.09Å; F208-A222 HydrophobicContact CZ-CB 3.55Å
209V98.1Very high89.1Confident0 Ų034.6 Ų34.60%024%0.239CC..EExtended strand (participates in β ladder)trans-119.6132.1174.2-173.10000107.6F8 A9 V172 A181 L191 C192 I193 L236F8-V209 CarbonylContact C-O 3.49Å; F8-V209 WeakPolarHBondContact CA-O 3.4Å; A9-V209 PolarHBondContact N-O 3.15Å; A9-V209 PolarHBondContact O-N 2.88Å; V172-V209 HydrophobicContact CG2-CB 4.08Å; V172-V209 HydrophobicContact CG2-CG1 3.62Å; A181-V209 HydrophobicContact CB-CB 4.48Å; A181-V209 HydrophobicContact CB-CG1 3.71Å; A181-V209 HydrophobicContact CB-CG2 3.96Å; L191-V209 HydrophobicContact CD1-CG1 3.57Å; L191-V209 HydrophobicContact CD2-CG1 4.21Å; L191-V209 HydrophobicContact CG-CG1 3.78Å; C192-V209 CarbonylContact O-C 3.54Å; C192-V209 VanDerWaalsContact O-CA 3.29Å; C192-V209 WeakPolarHBondContact O-CA 3.39Å; I193-V209 HydrophobicContact CG1-CG2 4.45Å; V209-L236 HydrophobicContact CG2-CD1 3.89Å; V209-L236 HydrophobicContact CG2-CD2 4.08Å
210S97.9Very high89.3Confident0 Ų034.3 Ų34.30%024%0.235CC..EExtended strand (participates in β ladder)trans-142.1149.8-179-171.20000112.8I7 L31 L191 C192 E212 A215I7-S210 WeakPolarHBondContact O-CA 3.5Å; L31-S210 WeakPolarHBondContact CD1-OG 3.24Å; L191-S210 CarbonylContact C-O 3.6Å; L191-S210 WeakPolarHBondContact CA-O 3.45Å; C192-S210 PolarHBondContact N-O 3.28Å; C192-S210 PolarHBondContact O-N 3.22Å; C192-S210 PolarHBondContact SG-O 2.49Å; S210-E212 PolarHBondContact O-N 3.27Å; S210-E212 PolarHBondContact OG-N 3.21Å; S210-E212 PolarHBondContact OG-O 3.2Å; S210-E212 VanDerWaalsContact OG-O 3.1Å; S210-A215 WeakPolarHBondContact OG-CB 3.31Å
211S97.2Very high90Very high0 Ų034 Ų340%021%0.211CC..SBendtrans-62.8-27.7169.1-60.50000113.2I7 P190I7-S211 PolarHBondContact N-OG 3.04Å; I7-S211 PolarHBondContact O-N 3.1Å; P190-S211 VanDerWaalsContact CB-O 3.27Å; P190-S211 WeakPolarHBondContact CB-O 3.47Å; P190-S211 WeakPolarHBondContact CG-O 3.35Å
212E95.9Very high91Very high0 Ų031.4 Ų31.40%020%0.198CC..  trans-144.3143.3177.1-73.3179.5-108.600112.5L31 H33 R34 S210 C214 A215 A266 R267 S270 Y272L31-E212 HydrophobicContact CD2-CB 3.72Å; L31-E212 HydrophobicContact CD2-CG 4.4Å; H33-E212 IonicContact CD2-OE1 2.76Å; H33-E212 IonicContact CE1-OE1 2.74Å; H33-E212 PolarHBondContact CE1-OE1 2.74Å; H33-E212 IonicContact NE2-OE1 3.05Å; H33-E212 PolarHBondContact NE2-OE1 3.08Å; H33-E212 IonicContact NE2-OE2 3.15Å; R34-E212 IonicContact CZ-OE1 2.7Å; R34-E212 IonicContact NE-OE1 3.52Å; R34-E212 PolarHBondContact NE-OE1 3.23Å; R34-E212 IonicContact NH2-OE1 3.27Å; R34-E212 PolarHBondContact NH2-OE1 3.42Å; R34-E212 IonicContact NH2-OE2 2.65Å; S210-E212 PolarHBondContact O-N 3.27Å; S210-E212 PolarHBondContact OG-N 3.21Å; S210-E212 PolarHBondContact OG-O 3.2Å; S210-E212 VanDerWaalsContact OG-O 3.1Å; E212-C214 PolarHBondContact O-N 3.09Å; E212-A215 WeakPolarHBondContact O-CB 3.49Å; E212-A215 PolarHBondContact O-N 3.48Å; E212-A266 VanDerWaalsContact OE2-CA 3.29Å; E212-A266 WeakPolarHBondContact OE2-CA 3.48Å; E212-A266 WeakPolarHBondContact OE2-CB 3.49Å; E212-R267 PolarHBondContact OE2-N 2.93Å; E212-S270 VanDerWaalsContact OE2-CB 3.29Å; E212-S270 WeakPolarHBondContact OE2-CB 3.37Å; E212-S270 PolarHBondContact OE2-OG 2.89Å; E212-Y272 HydrophobicContact CG-CE1 4.39Å; E212-Y272 WeakPolarHBondContact CG-OH 3.34Å
213S94.5Very high91.7Very high12 Ų1227.1 Ų27.18%0.08417%0.168CC..G310 helixtrans-63.6-21.5175.845.50000113.8A215 F216 I271S213-A215 PolarHBondContact O-N 3.07Å; S213-A215 VanDerWaalsContact O-N 3.15Å; S213-F216 WeakPolarHBondContact O-CB 3.42Å; S213-F216 WeakPolarHBondContact O-CG 3.07Å; S213-F216 PolarHBondContact O-N 3.35Å; S213-I271 PolarHBondContact OG-N 3.34Å; S213-I271 PolarHBondContact OG-O 3.48Å
214C94.9Very high92.1Very high3 Ų324.4 Ų24.42%0.0215%0.153CC..G310 helixtrans-64.4-18177.276.10000113.7E212 F216 A217 R267 S270E212-C214 PolarHBondContact O-N 3.09Å; C214-F216 PolarHBondContact O-N 2.86Å; C214-A217 PolarHBondContact O-N 3.46Å; C214-R267 HydrophobicContact CB-CB 4.17Å; C214-R267 VanDerWaalsContact CB-CZ 3.46Å; C214-R267 PolarHBondContact O-NH2 3.36Å; C214-S270 WeakPolarHBondContact CB-OG 3.49Å; C214-S270 PolarHBondContact SG-OG 3.34Å
215A95.6Very high92.1Very high0 Ų024.4 Ų24.40%015%0.154CC..G310 helixtrans-64.8-24.3171.800000112.7F8 L31 S210 E212 S213F8-A215 HydrophobicContact CD2-CB 3.76Å; F8-A215 HydrophobicContact CE2-CB 3.77Å; L31-A215 HydrophobicContact CD1-CB 4.44Å; L31-A215 HydrophobicContact CD2-CB 3.98Å; L31-A215 HydrophobicContact CG-CB 3.93Å; S210-A215 WeakPolarHBondContact OG-CB 3.31Å; E212-A215 WeakPolarHBondContact O-CB 3.49Å; E212-A215 PolarHBondContact O-N 3.48Å; S213-A215 PolarHBondContact O-N 3.07Å; S213-A215 VanDerWaalsContact O-N 3.15Å
216F94.1Very high92Very high9 Ų924 Ų244%0.03915%0.15CC..G310 helixtrans-77-25.1-176.8-52.6-21.2000112.3F8 F208 S213 C214 S218 L219 A222 L224F8-F216 HydrophobicContact CE2-CD1 4.15Å; F8-F216 HydrophobicContact CE2-CE1 4.06Å; F208-F216 AromaticContact CD2-CD1 3.75Å; F208-F216 HydrophobicContact CD2-CD1 3.75Å; F208-F216 AromaticContact CD2-CE1 3.45Å; F208-F216 HydrophobicContact CD2-CE1 3.45Å; F208-F216 VanDerWaalsContact CD2-CE1 3.45Å; F208-F216 AromaticContact CD2-CZ 3.96Å; F208-F216 HydrophobicContact CD2-CZ 3.96Å; F208-F216 AromaticContact CE2-CD1 3.73Å; F208-F216 HydrophobicContact CE2-CD1 3.73Å; F208-F216 HydrophobicContact CE2-CD2 4.5Å; F208-F216 AromaticContact CE2-CE1 3.88Å; F208-F216 HydrophobicContact CE2-CE1 3.88Å; F208-F216 HydrophobicContact CE2-CG 4.09Å; F208-F216 HydrophobicContact CE2-CZ 4.32Å; F208-F216 HydrophobicContact CG-CE1 4.47Å; S213-F216 WeakPolarHBondContact O-CB 3.42Å; S213-F216 WeakPolarHBondContact O-CG 3.07Å; S213-F216 PolarHBondContact O-N 3.35Å; C214-F216 PolarHBondContact O-N 2.86Å; F216-S218 PolarHBondContact O-N 3.31Å; F216-S218 VanDerWaalsContact O-N 3.08Å; F216-L219 WeakPolarHBondContact O-CB 3.09Å; F216-L219 PolarHBondContact O-N 3.1Å; F216-A222 HydrophobicContact CB-CB 4.03Å; F216-L224 HydrophobicContact CD2-CB 4.12Å; F216-L224 HydrophobicContact CE2-CB 4.09Å; F216-L224 HydrophobicContact CE2-CD1 3.78Å
217A88.8Confident91.8Very high80 Ų8024.9 Ų24.966%0.66115%0.154SC*.G310 helixtrans-60.6-21.1177.600000113.7C214 L219C214-A217 PolarHBondContact O-N 3.46Å; A217-L219 VanDerWaalsContact C-N 3.27Å
218S82Confident91.7Very high49 Ų4923.5 Ų23.534%0.34315%0.149SC..G310 helixtrans-81.1-4.5174.9-55.40000113.5F216F216-S218 PolarHBondContact O-N 3.31Å; F216-S218 VanDerWaalsContact O-N 3.08Å
219L86.5Confident91.6Very high12 Ų1228.2 Ų28.26%0.06317%0.171CC..SBendtrans-119.4114.4-171.9-59.7174.7000109.5F8 I23 L26 F208 F216 A217 N221 A222F8-L219 HydrophobicContact CE2-CD1 4.42Å; F8-L219 HydrophobicContact CZ-CD1 3.85Å; I23-L219 HydrophobicContact CB-CD2 4.38Å; I23-L219 HydrophobicContact CG1-CD2 4.31Å; I23-L219 HydrophobicContact CG2-CD1 3.82Å; I23-L219 HydrophobicContact CG2-CD2 4.07Å; L26-L219 HydrophobicContact CB-CD2 3.82Å; L26-L219 HydrophobicContact CD1-CD2 3.88Å; F208-L219 HydrophobicContact CD1-CD1 4.37Å; F208-L219 HydrophobicContact CE1-CD1 4Å; F208-L219 HydrophobicContact CZ-CD1 4.16Å; F216-L219 WeakPolarHBondContact O-CB 3.09Å; F216-L219 PolarHBondContact O-N 3.1Å; A217-L219 VanDerWaalsContact C-N 3.27Å; L219-N221 PolarHBondContact O-N 3.47Å; L219-A222 HydrophobicContact CB-CB 3.55Å; L219-A222 HydrophobicContact CD1-CB 4.44Å; L219-A222 VanDerWaalsContact O-CB 3.25Å; L219-A222 WeakPolarHBondContact O-CB 3.36Å; L219-A222 PolarHBondContact O-N 3.38Å
220P83.5Confident91.3Very high104 Ų10429.9 Ų29.968%0.67518%0.182SC*.THydrogen-bonded Turntrans-59.6137177-22.933.3000111.7L196 A222L196-P220 WeakPolarHBondContact CD1-O 3.49Å; P220-A222 PolarHBondContact O-N 3.46Å
221N86.7Confident91.1Very high85 Ų8529.9 Ų29.946%0.45518%0.182SC..THydrogen-bonded Turntrans60.222.7-178.4-48.5-30000114.7A197 S199 L219A197-N221 PolarHBondContact N-O 3.08Å; A197-N221 VanDerWaalsContact N-O 3.12Å; S199-N221 PolarHBondContact OG-ND2 2.91Å; L219-N221 PolarHBondContact O-N 3.47Å
222A90.6Very high91Very high22 Ų2230.3 Ų30.318%0.18218%0.184CC..EExtended strand (participates in β ladder)trans-87135.7172.400000111.2S195 L196 F208 F216 L219 P220S195-A222 VanDerWaalsContact O-CA 3.32Å; S195-A222 WeakPolarHBondContact O-CA 3.41Å; L196-A222 HydrophobicContact CD1-CB 4.14Å; F208-A222 HydrophobicContact CE2-CB 4.09Å; F208-A222 HydrophobicContact CZ-CB 3.55Å; F216-A222 HydrophobicContact CB-CB 4.03Å; L219-A222 HydrophobicContact CB-CB 3.55Å; L219-A222 HydrophobicContact CD1-CB 4.44Å; L219-A222 VanDerWaalsContact O-CB 3.25Å; L219-A222 WeakPolarHBondContact O-CB 3.36Å; L219-A222 PolarHBondContact O-N 3.38Å; P220-A222 PolarHBondContact O-N 3.46Å
223S89.1Confident91.1Very high15 Ų1530.3 Ų30.311%0.10518%0.184CC..EExtended strand (participates in β ladder)trans-126142.9-178.9-55.10000110.7G194 S195 D283G194-S223 CarbonylContact C-O 3.57Å; G194-S223 WeakPolarHBondContact CA-O 3.35Å; S195-S223 PolarHBondContact N-O 3.14Å; S195-S223 PolarHBondContact O-N 3.37Å; S223-D283 WeakPolarHBondContact CB-OD1 3.32Å; S223-D283 PolarHBondContact OG-OD1 3.23Å; S223-D283 PolarHBondContact OG-OD2 2.96Å; S223-D283 VanDerWaalsContact OG-OD2 3.08Å
224L90.8Very high91.3Very high30 Ų3029.8 Ų29.816%0.15718%0.18CC..EExtended strand (participates in β ladder)trans-74.7124.5167.1172.663.2000108.1C192 F216 I271 I286C192-L224 HydrophobicContact CB-CD1 3.82Å; F216-L224 HydrophobicContact CD2-CB 4.12Å; F216-L224 HydrophobicContact CE2-CB 4.09Å; F216-L224 HydrophobicContact CE2-CD1 3.78Å; L224-I271 HydrophobicContact CD2-CB 4.37Å; L224-I271 HydrophobicContact CD2-CG2 4.48Å; L224-I286 HydrophobicContact CB-CG2 4.31Å; L224-I286 HydrophobicContact CD2-CG2 3.82Å; L224-I286 HydrophobicContact CG-CG2 3.85Å; L224-I286 WeakPolarHBondContact O-CD1 2.99Å
225V89.2Confident91.5Very high25 Ų2531 Ų3115%0.15219%0.186CC..EExtended strand (participates in β ladder)trans-93.9-53.8179.41770000110.5I193 S195 W207 I286I193-V225 HydrophobicContact CG2-CB 4.35Å; I193-V225 WeakPolarHBondContact O-CB 3.36Å; I193-V225 PolarHBondContact O-N 3.3Å; S195-V225 WeakPolarHBondContact OG-CG2 3.29Å; W207-V225 HydrophobicContact CZ3-CG1 4.24Å; W207-V225 HydrophobicContact CZ3-CG2 3.9Å; V225-I286 VanDerWaalsContact O-CD1 3.28Å; V225-I286 WeakPolarHBondContact O-CD1 3.31Å
226R90.3Very high91.5Very high28 Ų2831 Ų3111%0.10619%0.186CC..EExtended strand (participates in β ladder)trans-168.8169175.564.4175.3-158.899.4-4.3111.9C192 I193 E232 M276C192-R226 WeakPolarHBondContact CA-O 3.32Å; I193-R226 PolarHBondContact N-O 3.31Å; I193-R226 PolarHBondContact O-N 3.48Å; R226-E232 IonicContact CZ-OE1 3.8Å; R226-E232 IonicContact CZ-OE2 2.71Å; R226-E232 VanDerWaalsContact CZ-OE2 3.27Å; R226-E232 IonicContact NH1-OE1 3.68Å; R226-E232 IonicContact NH1-OE2 2.62Å; R226-E232 PolarHBondContact NH1-OE2 2.71Å; R226-E232 IonicContact NH2-OE1 2.81Å; R226-E232 PolarHBondContact NH2-OE1 2.81Å; R226-E232 IonicContact NH2-OE2 3.05Å; R226-E232 PolarHBondContact NH2-OE2 2.62Å; R226-M276 HydrophobicContact CB-CB 4.47Å; R226-M276 HydrophobicContact CB-CG 4.35Å; R226-M276 HydrophobicContact CB-SD 4.25Å; R226-M276 HydrophobicContact CG-SD 4.41Å
227E91.7Very high91.6Very high20 Ų2031.7 Ų31.79%0.09319%0.19CC..EExtended strand (participates in β ladder)trans-78.2154.5162.3-76.7-170.286.500111.9R183 C192 E273R183-E227 IonicContact CZ-OE1 2.69Å; R183-E227 IonicContact NH1-OE1 3.59Å; R183-E227 PolarHBondContact NH1-OE1 3.04Å; R183-E227 IonicContact NH2-OE1 2.78Å; C192-E227 HydrophobicContact CB-CG 4.29Å; E227-E273 WeakPolarHBondContact OE2-CA 3.21Å; E227-E273 PolarHBondContact OE2-N 2.99Å
228V93.7Very high91.9Very high0 Ų028.8 Ų28.80%017%0.167CC..PPolyproline II helixtrans-76.6129162.7-178.30000107.6A181 R183 L191 I193 E232 V234A181-V228 HydrophobicContact CB-CG2 4Å; R183-V228 HydrophobicContact CB-CB 4.36Å; R183-V228 HydrophobicContact CB-CG1 3.8Å; R183-V228 WeakPolarHBondContact CD-O 3.27Å; R183-V228 PolarHBondContact NH1-O 3.42Å; L191-V228 HydrophobicContact CB-CB 4.19Å; L191-V228 HydrophobicContact CB-CG2 4.26Å; L191-V228 HydrophobicContact CD2-CB 4.22Å; L191-V228 HydrophobicContact CD2-CG1 4.42Å; L191-V228 HydrophobicContact CD2-CG2 3.95Å; L191-V228 HydrophobicContact CG-CB 4.34Å; L191-V228 HydrophobicContact CG-CG2 3.93Å; L191-V228 PolarHBondContact O-N 3Å; I193-V228 HydrophobicContact CD1-CG2 4Å; I193-V228 HydrophobicContact CG1-CG2 3.97Å; V228-E232 HydrophobicContact CG1-CB 3.91Å; V228-E232 HydrophobicContact CG1-CG 4.36Å; V228-V234 HydrophobicContact CG1-CG2 4Å; V228-V234 HydrophobicContact CG2-CG2 4.35Å
229E92.7Very high92.4Very high99 Ų9933.6 Ų33.646%0.46318%0.183SC..PPolyproline II helixtrans-73.1155.6-174.8-64.7-63155.500111.6G231 E232E229-G231 PolarHBondContact O-N 2.97Å; E229-E232 HydrophobicContact CB-CB 3.93Å; E229-E232 PolarHBondContact N-OE2 3.5Å; E229-E232 WeakPolarHBondContact O-CB 3.33Å; E229-E232 PolarHBondContact O-N 3.3Å
230P92.1Very high92.7Very high34 Ų3433.1 Ų33.122%0.22118%0.181CC..THydrogen-bonded Turntrans-52.9123.6171.4-25.734.8000111.9P185 E232P185-P230 WeakPolarHBondContact O-CB 3.5Å; P230-E232 VanDerWaalsContact C-N 3.27Å; P230-E232 PolarHBondContact O-N 2.81Å
231G93.8Very high93.2Very high0 Ų031.4 Ų31.40%017%0.166CC..THydrogen-bonded Turntrans79.23.9-17900000115.2R183 D184 E229 C246 V247R183-G231 CarbonylContact O-C 3.58Å; R183-G231 VanDerWaalsContact O-CA 3.24Å; R183-G231 WeakPolarHBondContact O-CA 3.29Å; R183-G231 PolarHBondContact O-N 2.94Å; D184-G231 PolarHBondContact O-N 3.19Å; E229-G231 PolarHBondContact O-N 2.97Å; G231-C246 CarbonylContact O-C 3.55Å; G231-C246 WeakPolarHBondContact O-CA 3.32Å; G231-V247 WeakPolarHBondContact CA-O 3.06Å; G231-V247 PolarHBondContact O-N 2.84Å
232E95.5Very high93.7Very high10 Ų1031 Ų315%0.04717%0.166CC..EExtended strand (participates in β ladder)trans-84141.4-177.2-168.8-179.3-158.300112.7V182 R183 R226 V228 E229 P230 V234 S244 V245V182-E232 WeakPolarHBondContact CA-O 3.32Å; R183-E232 PolarHBondContact N-O 2.88Å; R226-E232 IonicContact CZ-OE1 3.8Å; R226-E232 IonicContact CZ-OE2 2.71Å; R226-E232 VanDerWaalsContact CZ-OE2 3.27Å; R226-E232 IonicContact NH1-OE1 3.68Å; R226-E232 IonicContact NH1-OE2 2.62Å; R226-E232 PolarHBondContact NH1-OE2 2.71Å; R226-E232 IonicContact NH2-OE1 2.81Å; R226-E232 PolarHBondContact NH2-OE1 2.81Å; R226-E232 IonicContact NH2-OE2 3.05Å; R226-E232 PolarHBondContact NH2-OE2 2.62Å; V228-E232 HydrophobicContact CG1-CB 3.91Å; V228-E232 HydrophobicContact CG1-CG 4.36Å; E229-E232 HydrophobicContact CB-CB 3.93Å; E229-E232 PolarHBondContact N-OE2 3.5Å; E229-E232 WeakPolarHBondContact O-CB 3.33Å; E229-E232 PolarHBondContact O-N 3.3Å; P230-E232 VanDerWaalsContact C-N 3.27Å; P230-E232 PolarHBondContact O-N 2.81Å; E232-V234 VanDerWaalsContact CD-CG2 3.41Å; E232-V234 HydrophobicContact CG-CG2 3.64Å; E232-S244 WeakPolarHBondContact CG-OG 3.44Å; E232-S244 WeakPolarHBondContact OE1-CB 3.28Å; E232-S244 PolarHBondContact OE1-OG 3.24Å; E232-V245 WeakPolarHBondContact CA-O 3.29Å
233I98Very high93.9Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-116.2115168.9-51.9166000106.3M155 I158 R159 M162 A181 V182 S244 V245M155-I233 HydrophobicContact CB-CG2 4.28Å; M155-I233 HydrophobicContact CE-CB 4.01Å; M155-I233 HydrophobicContact CE-CG2 3.58Å; M155-I233 WeakPolarHBondContact CE-O 3.17Å; M155-I233 HydrophobicContact CG-CG2 4.08Å; M155-I233 WeakPolarHBondContact O-CD1 3.49Å; I158-I233 HydrophobicContact CB-CD1 4.04Å; I158-I233 HydrophobicContact CG2-CD1 3.64Å; I158-I233 HydrophobicContact CG2-CG1 3.93Å; I158-I233 HydrophobicContact CG2-CG2 4.4Å; R159-I233 HydrophobicContact CB-CD1 3.69Å; R159-I233 HydrophobicContact CG-CD1 4.37Å; M162-I233 HydrophobicContact SD-CD1 3.73Å; M162-I233 HydrophobicContact SD-CG1 3.7Å; A181-I233 CarbonylContact O-C 3.6Å; A181-I233 WeakPolarHBondContact O-CA 3.46Å; V182-I233 HydrophobicContact CG1-CG1 4.11Å; V182-I233 HydrophobicContact CG2-CG2 4.19Å; I233-S244 WeakPolarHBondContact O-CA 3.34Å; I233-V245 PolarHBondContact N-O 2.71Å; I233-V245 PolarHBondContact O-N 2.7Å
234V98Very high94.2Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-111.9127.6-179.4-169.60000109.3L180 A181 I193 V228 E232 L236 I241L180-V234 CarbonylContact C-O 3.52Å; L180-V234 VanDerWaalsContact CA-O 3.29Å; L180-V234 WeakPolarHBondContact CA-O 3.48Å; A181-V234 HydrophobicContact CB-CB 4.33Å; A181-V234 PolarHBondContact N-O 2.85Å; A181-V234 PolarHBondContact O-N 3Å; I193-V234 HydrophobicContact CD1-CB 4.26Å; I193-V234 HydrophobicContact CD1-CG1 3.84Å; I193-V234 HydrophobicContact CD1-CG2 4.27Å; V228-V234 HydrophobicContact CG1-CG2 4Å; V228-V234 HydrophobicContact CG2-CG2 4.35Å; E232-V234 VanDerWaalsContact CD-CG2 3.41Å; E232-V234 HydrophobicContact CG-CG2 3.64Å; V234-L236 HydrophobicContact CB-CD1 4.07Å; V234-L236 HydrophobicContact CG1-CD1 3.71Å; V234-L236 HydrophobicContact CG1-CG 4.34Å; V234-I241 HydrophobicContact CG1-CB 4.42Å; V234-I241 HydrophobicContact CG1-CD1 4.3Å; V234-I241 HydrophobicContact CG1-CG1 4.03Å; V234-I241 HydrophobicContact CG1-CG2 3.68Å
235E98.1Very high94.4Very high30 Ų3035.8 Ų35.814%0.1419%0.186CC..EExtended strand (participates in β ladder)trans-94124169.1-173.3177.1-107.800109.9M155 R178 L179 L180 I241 T242 R243M155-E235 HydrophobicContact CE-CB 4.19Å; M155-E235 HydrophobicContact SD-CB 3.73Å; R178-E235 WeakPolarHBondContact CD-OE1 3.48Å; R178-E235 IonicContact CZ-OE1 2.65Å; R178-E235 IonicContact NE-OE1 3.62Å; R178-E235 PolarHBondContact NE-OE1 2.99Å; L179-E235 WeakPolarHBondContact O-CA 3.45Å; L180-E235 HydrophobicContact CD2-CB 3.77Å; L180-E235 HydrophobicContact CD2-CG 3.71Å; E235-I241 WeakPolarHBondContact O-CA 3.44Å; E235-T242 WeakPolarHBondContact CG-OG1 3.35Å; E235-T242 PolarHBondContact O-N 2.84Å; E235-T242 PolarHBondContact O-OG1 3.35Å; E235-T242 PolarHBondContact OE2-OG1 2.97Å; E235-R243 HydrophobicContact CB-CB 4.17Å; E235-R243 PolarHBondContact N-O 3.27Å
236L97.3Very high94.6Very high0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-115.7129174.7-65.790.8000109.8R178 L179 A181 I193 W207 V209 V234 G240 I241R178-L236 WeakPolarHBondContact CA-O 3.2Å; R178-L236 WeakPolarHBondContact CB-O 3.42Å; L179-L236 HydrophobicContact CB-CB 4.4Å; L179-L236 PolarHBondContact N-O 3.29Å; L179-L236 PolarHBondContact O-N 3.32Å; A181-L236 HydrophobicContact CB-CD1 4.17Å; I193-L236 HydrophobicContact CD1-CD1 4.09Å; I193-L236 HydrophobicContact CD1-CD2 4.28Å; I193-L236 HydrophobicContact CG1-CD2 4.29Å; I193-L236 HydrophobicContact CG2-CD2 3.7Å; W207-L236 HydrophobicContact CB-CD2 4.12Å; V209-L236 HydrophobicContact CG2-CD1 3.89Å; V209-L236 HydrophobicContact CG2-CD2 4.08Å; V234-L236 HydrophobicContact CB-CD1 4.07Å; V234-L236 HydrophobicContact CG1-CD1 3.71Å; V234-L236 HydrophobicContact CG1-CG 4.34Å; L236-G240 WeakPolarHBondContact CA-O 3.39Å; L236-I241 HydrophobicContact CD2-CG1 4.45Å; L236-I241 HydrophobicContact CG-CG1 4.24Å
237T96.1Very high94.7Very high22 Ų2237.2 Ų37.214%0.13520%0.201CC..EExtended strand (participates in β ladder)trans-112.1179.8170.168.10000109.8R178 H239 G240 T242R178-T237 HydrophobicContact CB-CG2 4.13Å; T237-H239 PolarHBondContact O-N 2.83Å; T237-H239 PolarHBondContact OG1-N 3.36Å; T237-H239 VanDerWaalsContact OG1-N 3.16Å; T237-G240 PolarHBondContact N-O 3.42Å; T237-G240 PolarHBondContact O-N 2.64Å; T237-G240 PolarHBondContact OG1-O 2.92Å; T237-T242 HydrophobicContact CG2-CG2 3.57Å; T237-T242 WeakPolarHBondContact OG1-CG2 3.49Å
238A93.5Very high94.5Very high20 Ų2040.4 Ų40.417%0.16523%0.226CC..THydrogen-bonded Turntrans-56.9-17.9169.600000113.8I11 K13I11-A238 HydrophobicContact CG1-CB 4.37Å; K13-A238 HydrophobicContact CB-CB 4.14Å
239H92.7Very high94.1Very high149 Ų14942.7 Ų42.769%0.6924%0.236SC*.THydrogen-bonded Turntrans-95.51.2177.9-57.7-64.4000113.6T237T237-H239 PolarHBondContact O-N 2.83Å; T237-H239 PolarHBondContact OG1-N 3.36Å; T237-H239 VanDerWaalsContact OG1-N 3.16Å
240G93.3Very high93.4Very high2 Ų240.2 Ų40.22%0.02123%0.229CC..EExtended strand (participates in β ladder)trans104.2-155.4-178.900000113.3W207 L236 T237 T242W207-G240 VanDerWaalsContact NE1-CA 3.27Å; L236-G240 WeakPolarHBondContact CA-O 3.39Å; T237-G240 PolarHBondContact N-O 3.42Å; T237-G240 PolarHBondContact O-N 2.64Å; T237-G240 PolarHBondContact OG1-O 2.92Å; G240-T242 PolarHBondContact O-N 3.2Å
241I95.2Very high92.8Very high69 Ų6947 Ų4735%0.35426%0.263SS..EExtended strand (participates in β ladder)trans-72115-178.3-60.4172000109I193 V234 E235 L236I193-I241 HydrophobicContact CD1-CD1 3.96Å; I193-I241 HydrophobicContact CD1-CG1 4.41Å; V234-I241 HydrophobicContact CG1-CB 4.42Å; V234-I241 HydrophobicContact CG1-CD1 4.3Å; V234-I241 HydrophobicContact CG1-CG1 4.03Å; V234-I241 HydrophobicContact CG1-CG2 3.68Å; E235-I241 WeakPolarHBondContact O-CA 3.44Å; L236-I241 HydrophobicContact CD2-CG1 4.45Å; L236-I241 HydrophobicContact CG-CG1 4.24Å
242T96.1Very high91.9Very high76 Ų7650.3 Ų50.347%0.46630%0.297SS..EExtended strand (participates in β ladder)trans-97.1-33.3179.848.60000112.3E235 T237 G240E235-T242 WeakPolarHBondContact CG-OG1 3.35Å; E235-T242 PolarHBondContact O-N 2.84Å; E235-T242 PolarHBondContact O-OG1 3.35Å; E235-T242 PolarHBondContact OE2-OG1 2.97Å; T237-T242 HydrophobicContact CG2-CG2 3.57Å; T237-T242 WeakPolarHBondContact OG1-CG2 3.49Å; G240-T242 PolarHBondContact O-N 3.2Å
243R95.1Very high91.2Very high87 Ų8751 Ų5133%0.32831%0.307SS..EExtended strand (participates in β ladder)trans-151.2148.1-177.2-170.9170.7170.4-151.67.4111.3D153 M155 M156 E235 V245D153-R243 IonicContact OD1-NH1 3.67Å; D153-R243 IonicContact OD2-CZ 2.84Å; D153-R243 IonicContact OD2-NH1 3.57Å; D153-R243 PolarHBondContact OD2-NH1 3.24Å; D153-R243 IonicContact OD2-NH2 3.81Å; D153-R243 PolarHBondContact OD2-NH2 3.24Å; D153-R243 VanDerWaalsContact OD2-NH2 3.15Å; M155-R243 HydrophobicContact CE-CB 4.37Å; M155-R243 HydrophobicContact CE-CG 4.14Å; M155-R243 HydrophobicContact SD-CB 4.07Å; M155-R243 HydrophobicContact SD-CG 3.94Å; M156-R243 VanDerWaalsContact CE-NH2 3.35Å; E235-R243 HydrophobicContact CB-CB 4.17Å; E235-R243 PolarHBondContact N-O 3.27Å; R243-V245 HydrophobicContact CG-CG2 4.39Å
244S95.6Very high90.5Very high54 Ų5458.8 Ų58.838%0.37834%0.341SS..EExtended strand (participates in β ladder)trans-137.1142.3169170.10000109.9E232 I233E232-S244 WeakPolarHBondContact CG-OG 3.44Å; E232-S244 WeakPolarHBondContact OE1-CB 3.28Å; E232-S244 PolarHBondContact OE1-OG 3.24Å; I233-S244 WeakPolarHBondContact O-CA 3.34Å
245V95.5Very high90.1Very high26 Ų2659.5 Ų59.516%0.15835%0.346CS..EExtended strand (participates in β ladder)trans-139.2133.5176.3-1780000107.9M155 M156 R159 E232 I233 R243M155-V245 HydrophobicContact CE-CB 4.39Å; M155-V245 HydrophobicContact CE-CG2 3.95Å; M156-V245 HydrophobicContact CE-CB 4.21Å; M156-V245 HydrophobicContact CE-CG1 3.86Å; M156-V245 HydrophobicContact CE-CG2 3.67Å; R159-V245 HydrophobicContact CG-CG1 4.34Å; E232-V245 WeakPolarHBondContact CA-O 3.29Å; I233-V245 PolarHBondContact N-O 2.71Å; I233-V245 PolarHBondContact O-N 2.7Å; R243-V245 HydrophobicContact CG-CG2 4.39Å
246C92.8Very high89.8Confident77 Ų7758.3 Ų58.352%0.5234%0.341SS..EExtended strand (participates in β ladder)trans-111.4146.5178-66.90000112.4G231G231-C246 CarbonylContact O-C 3.55Å; G231-C246 WeakPolarHBondContact O-CA 3.32Å
247V91.9Very high89.6Confident6 Ų658.7 Ų58.74%0.03634%0.343CS..  trans-110.4122.5167.5-178.60000108.2R159 M162 W163 P185 G231R159-V247 HydrophobicContact CB-CG2 4.3Å; R159-V247 HydrophobicContact CG-CG2 3.38Å; M162-V247 HydrophobicContact CB-CG2 4.43Å; M162-V247 HydrophobicContact CE-CB 4.29Å; M162-V247 HydrophobicContact CE-CG2 4.33Å; M162-V247 HydrophobicContact SD-CG2 3.96Å; W163-V247 HydrophobicContact CD2-CG1 4.15Å; W163-V247 VanDerWaalsContact CE2-CG1 3.49Å; W163-V247 HydrophobicContact CH2-CG1 3.97Å; W163-V247 HydrophobicContact CZ2-CG1 3.42Å; W163-V247 VanDerWaalsContact CZ2-CG1 3.42Å; P185-V247 HydrophobicContact CG-CG1 4.42Å; G231-V247 WeakPolarHBondContact CA-O 3.06Å; G231-V247 PolarHBondContact O-N 2.84Å
248S87.6Confident89.6Confident88 Ų8857.9 Ų57.962%0.61534%0.338SS*.PPolyproline II helixtrans-69.6154.3176.8-55.20000111.7W163W163-S248 WeakPolarHBondContact CH2-O 3.43Å
249Q84.8Confident89.6Confident47 Ų4757 Ų5722%0.2233%0.331CS..PPolyproline II helixtrans-58.4140.5173.3-64.9789.600110.7P185 W186 N251 G252 G253P185-Q249 VanDerWaalsContact O-CG 3.23Å; P185-Q249 WeakPolarHBondContact O-CG 3.46Å; P185-Q249 PolarHBondContact O-NE2 3.47Å; W186-Q249 HydrophobicContact CE3-CG 4.21Å; W186-Q249 HydrophobicContact CZ3-CB 4.33Å; W186-Q249 HydrophobicContact CZ3-CG 4.38Å; Q249-N251 PolarHBondContact O-N 3.47Å; Q249-G252 PolarHBondContact O-N 2.95Å; Q249-G253 VanDerWaalsContact CB-O 3.28Å; Q249-G253 WeakPolarHBondContact CB-O 3.15Å; Q249-G253 VanDerWaalsContact CG-O 3.31Å; Q249-G253 WeakPolarHBondContact CG-O 3.33Å
250P78.8Confident89.7Confident47 Ų4749.9 Ų49.931%0.30530%0.298SS..G310 helixtrans-52135.1170.2-24.933.2000111.4W163 W186 G252 G253W163-P250 HydrophobicContact CZ3-CB 4.5Å; W163-P250 HydrophobicContact CZ3-CG 4.14Å; W186-P250 HydrophobicContact CZ2-CB 4.48Å; W186-P250 HydrophobicContact CZ2-CG 4.1Å; P250-G252 PolarHBondContact O-N 3.1Å; P250-G252 VanDerWaalsContact O-N 3.1Å; P250-G253 PolarHBondContact O-N 2.99Å; P250-G253 VanDerWaalsContact O-N 3.14Å
251N78.7Confident89.8Confident177 Ų17749.8 Ų49.895%0.94730%0.297SS*.G310 helixtrans56.223.3177.1-53.7-36.3000115.3Q249 G253Q249-N251 PolarHBondContact O-N 3.47Å; N251-G253 VanDerWaalsContact C-N 3.28Å; N251-G253 PolarHBondContact O-N 3.26Å
252G76.2Confident89.8Confident70 Ų7046.6 Ų46.672%0.72228%0.28SS*.G310 helixtrans68.327.1-178.500000113.6Q249 P250Q249-G252 PolarHBondContact O-N 2.95Å; P250-G252 PolarHBondContact O-N 3.1Å; P250-G252 VanDerWaalsContact O-N 3.1Å
253G80.4Confident89.7Confident24 Ų2443.4 Ų43.425%0.24726%0.26CS..PPolyproline II helixtrans-58.1155175.200000113Q249 P250 N251Q249-G253 VanDerWaalsContact CB-O 3.28Å; Q249-G253 WeakPolarHBondContact CB-O 3.15Å; Q249-G253 VanDerWaalsContact CG-O 3.31Å; Q249-G253 WeakPolarHBondContact CG-O 3.33Å; P250-G253 PolarHBondContact O-N 2.99Å; P250-G253 VanDerWaalsContact O-N 3.14Å; N251-G253 VanDerWaalsContact C-N 3.28Å; N251-G253 PolarHBondContact O-N 3.26Å
254K82.9Confident89.6Confident163 Ų16342.5 Ų42.571%0.70926%0.257SS*.PPolyproline II helixtrans-76.3159.5172.9-63.4-177.5179.9-179.10110.3W186W186-K254 VanDerWaalsContact CE3-O 3.22Å; W186-K254 WeakPolarHBondContact CZ3-O 2.87Å
255S89Confident89.4Confident15 Ų1540.5 Ų40.511%0.10524%0.242CC..PPolyproline II helixtrans-59.3158.3167.977.90000110.2W186 G472 G474W186-S255 CarbonylContact O-C 3.54Å; W186-S255 WeakPolarHBondContact O-CA 3.15Å; S255-G472 VanDerWaalsContact CB-O 3.32Å; S255-G472 WeakPolarHBondContact CB-O 3.35Å; S255-G472 PolarHBondContact N-O 3.17Å; S255-G472 PolarHBondContact OG-O 3.37Å; S255-G474 CarbonylContact C-O 3.56Å; S255-G474 CarbonylContact O-C 3.56Å; S255-G474 WeakPolarHBondContact O-CA 3.49Å; S255-G474 PolarHBondContact O-N 3.32Å; S255-G474 VanDerWaalsContact O-O 3.14Å; S255-G474 PolarHBondContact OG-N 3.29Å; S255-G474 PolarHBondContact OG-O 2.91Å
256A92.3Very high89.3Confident6 Ų639.3 Ų39.35%0.0524%0.235CC..  trans-139.557.7-178.800000109.7W186 N188 C258 C476 P485W186-A256 HydrophobicContact CB-CB 4.19Å; W186-A256 PolarHBondContact O-N 3.13Å; N188-A256 PolarHBondContact ND2-O 3.16Å; A256-C258 PolarHBondContact O-N 3.3Å; A256-C476 HydrophobicContact CB-CB 4.1Å; A256-C476 WeakPolarHBondContact O-CB 3.46Å; A256-P485 HydrophobicContact CB-CB 3.78Å; A256-P485 HydrophobicContact CB-CG 3.91Å
257F93.5Very high89.4Confident8 Ų839.1 Ų39.14%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-56.7137.8176.8-177.1-113.7000110.3R183 G187 P190 I259 E261 Y262 Y272 G474 Y475 C476R183-F257 VanDerWaalsContact NH2-CD2 3.28Å; R183-F257 VanDerWaalsContact NH2-CE2 3.32Å; G187-F257 WeakPolarHBondContact O-CD2 3.48Å; P190-F257 HydrophobicContact CB-CE2 3.99Å; P190-F257 HydrophobicContact CB-CZ 4.31Å; F257-I259 PolarHBondContact O-N 3.41Å; F257-E261 HydrophobicContact CE1-CB 3.95Å; F257-E261 HydrophobicContact CE1-CG 4.48Å; F257-E261 HydrophobicContact CE2-CG 4.47Å; F257-E261 HydrophobicContact CZ-CB 3.8Å; F257-E261 HydrophobicContact CZ-CG 3.97Å; F257-Y262 HydrophobicContact CD1-CD2 4.38Å; F257-Y262 HydrophobicContact CD1-CE2 4.05Å; F257-Y262 HydrophobicContact CE1-CD2 4.02Å; F257-Y262 AromaticContact CE1-CE2 3.76Å; F257-Y262 HydrophobicContact CE1-CE2 3.76Å; F257-Y272 HydrophobicContact CE1-CD2 4.05Å; F257-Y272 HydrophobicContact CE1-CE2 4.42Å; F257-Y272 HydrophobicContact CE1-CG 4.34Å; F257-Y272 HydrophobicContact CZ-CD1 4.21Å; F257-Y272 AromaticContact CZ-CD2 3.88Å; F257-Y272 HydrophobicContact CZ-CD2 3.88Å; F257-Y272 HydrophobicContact CZ-CE1 4.35Å; F257-Y272 AromaticContact CZ-CE2 4Å; F257-Y272 HydrophobicContact CZ-CE2 4Å; F257-Y272 AromaticContact CZ-CG 3.97Å; F257-Y272 HydrophobicContact CZ-CG 3.97Å; F257-G474 PolarHBondContact N-O 2.93Å; F257-G474 VanDerWaalsContact N-O 3.11Å; F257-Y475 HydrophobicContact CB-CD1 4.21Å; F257-Y475 HydrophobicContact CD1-CD1 4.22Å; F257-Y475 HydrophobicContact CD1-CE1 4.3Å; F257-Y475 CarbonylContact O-C 3.58Å; F257-Y475 VanDerWaalsContact O-CA 3.31Å; F257-Y475 WeakPolarHBondContact O-CA 3.46Å; F257-C476 PolarHBondContact O-N 2.9Å
258C94.8Very high89.5Confident5 Ų540.1 Ų40.13%0.03423%0.232CC..EExtended strand (participates in β ladder)trans-67.4109.7-176-173.40000111.3N188 R189 A256 F260 E261 I424N188-C258 WeakPolarHBondContact O-CB 3.46Å; N188-C258 PolarHBondContact O-N 2.9Å; R189-C258 PolarHBondContact NH2-SG 3.25Å; A256-C258 PolarHBondContact O-N 3.3Å; C258-F260 PolarHBondContact O-N 2.88Å; C258-E261 HydrophobicContact CB-CG 4.05Å; C258-E261 WeakPolarHBondContact O-CB 3.5Å; C258-E261 PolarHBondContact O-N 2.89Å; C258-I424 WeakPolarHBondContact SG-CD1 3.45Å
259I95Very high89.8Confident1 Ų138.9 Ų38.91%0.00522%0.219CC..Hα-helixtrans-60.2-24179.9-159.964.6000112.7F257 E261 Y262 I263 L459 I463 Y475 C476 F480F257-I259 PolarHBondContact O-N 3.41Å; I259-E261 PolarHBondContact O-N 3.2Å; I259-Y262 PolarHBondContact O-N 2.85Å; I259-I263 HydrophobicContact CG1-CD1 4.45Å; I259-I263 HydrophobicContact CG2-CD1 4.15Å; I259-I263 WeakPolarHBondContact O-CG1 3.47Å; I259-I263 PolarHBondContact O-N 2.98Å; I259-L459 HydrophobicContact CD1-CG 4.48Å; I259-L459 HydrophobicContact CG1-CD2 3.76Å; I259-L459 HydrophobicContact CG1-CG 4.17Å; I259-I463 HydrophobicContact CD1-CB 4.1Å; I259-I463 HydrophobicContact CD1-CG1 3.83Å; I259-I463 HydrophobicContact CD1-CG2 4.03Å; I259-Y475 HydrophobicContact CD1-CD1 3.77Å; I259-Y475 HydrophobicContact CD1-CE1 4.43Å; I259-Y475 HydrophobicContact CD1-CG 3.8Å; I259-C476 WeakPolarHBondContact CG2-O 3.46Å; I259-F480 HydrophobicContact CG2-CE2 3.71Å; I259-F480 HydrophobicContact CG2-CZ 4.35Å
260F94.6Very high90.2Very high0 Ų036.7 Ų36.70%021%0.208CC..Hα-helixtrans-69.9-18178.3-110.2-81.7000114.1M1 C258 Y262 I263 Y264 F265 I416 I424 C479 F480M1-F260 HydrophobicContact CE-CD1 4.15Å; M1-F260 HydrophobicContact CE-CE1 3.39Å; M1-F260 HydrophobicContact CE-CE2 4.13Å; M1-F260 HydrophobicContact CE-CZ 3.4Å; M1-F260 VanDerWaalsContact CE-CZ 3.4Å; M1-F260 HydrophobicContact SD-CD1 3.4Å; M1-F260 WeakPolarHBondContact SD-CD1 3.46Å; M1-F260 HydrophobicContact SD-CE1 3.19Å; M1-F260 WeakPolarHBondContact SD-CE1 3.45Å; M1-F260 HydrophobicContact SD-CE2 4.48Å; M1-F260 HydrophobicContact SD-CG 4.18Å; M1-F260 HydrophobicContact SD-CZ 3.82Å; C258-F260 PolarHBondContact O-N 2.88Å; F260-Y262 VanDerWaalsContact C-N 3.32Å; F260-I263 HydrophobicContact CD1-CB 4.22Å; F260-I263 HydrophobicContact CD1-CG2 4.34Å; F260-I263 HydrophobicContact CD2-CD1 4.14Å; F260-I263 HydrophobicContact CE1-CB 4.34Å; F260-I263 HydrophobicContact CE1-CG2 3.98Å; F260-I263 HydrophobicContact CE2-CD1 4.14Å; F260-I263 HydrophobicContact CG-CD1 4.36Å; F260-I263 HydrophobicContact CZ-CD1 4.32Å; F260-I263 HydrophobicContact CZ-CG2 4.43Å; F260-I263 PolarHBondContact O-N 3.13Å; F260-Y264 PolarHBondContact O-N 3.12Å; F260-F265 HydrophobicContact CB-CD2 4.16Å; F260-F265 HydrophobicContact CD1-CD2 4.15Å; F260-F265 HydrophobicContact CD1-CE2 4.14Å; F260-F265 PolarHBondContact O-N 2.97Å; F260-I416 HydrophobicContact CE2-CD1 4.46Å; F260-I416 HydrophobicContact CE2-CG1 4.24Å; F260-I416 HydrophobicContact CZ-CD1 3.73Å; F260-I416 HydrophobicContact CZ-CG1 3.93Å; F260-I424 HydrophobicContact CB-CD1 3.48Å; F260-I424 VanDerWaalsContact CB-CD1 3.48Å; F260-I424 HydrophobicContact CG-CD1 4.21Å; F260-C479 HydrophobicContact CD2-CB 4.44Å; F260-C479 HydrophobicContact CE2-CB 4.19Å; F260-F480 HydrophobicContact CD2-CZ 4.1Å; F260-F480 AromaticContact CE2-CE1 3.63Å; F260-F480 HydrophobicContact CE2-CE1 3.63Å; F260-F480 AromaticContact CE2-CZ 3.47Å; F260-F480 HydrophobicContact CE2-CZ 3.47Å; F260-F480 VanDerWaalsContact CE2-CZ 3.47Å; F260-F480 HydrophobicContact CZ-CE1 4.22Å; F260-F480 HydrophobicContact CZ-CZ 4.21Å
261E94.8Very high90.9Very high0 Ų035.1 Ų35.10%020%0.197CC..Iπ-helixtrans-60.4-45169.5-67.9-70173.400110.2R34 R189 P190 F257 C258 I259 F265 A266 Y272R34-E261 IonicContact CZ-OE1 3.25Å; R34-E261 IonicContact CZ-OE2 2.68Å; R34-E261 IonicContact NH1-OE1 3.46Å; R34-E261 PolarHBondContact NH1-OE1 2.83Å; R34-E261 IonicContact NH1-OE2 2.73Å; R34-E261 PolarHBondContact NH1-OE2 3.05Å; R34-E261 IonicContact NH2-OE1 3.68Å; R34-E261 IonicContact NH2-OE2 3.62Å; R34-E261 PolarHBondContact NH2-OE2 3.48Å; R189-E261 IonicContact NH1-OE1 3.92Å; R189-E261 PolarHBondContact NH1-OE1 3.25Å; R189-E261 VanDerWaalsContact NH1-OE1 3.14Å; P190-E261 HydrophobicContact CG-CG 4.43Å; F257-E261 HydrophobicContact CE1-CB 3.95Å; F257-E261 HydrophobicContact CE1-CG 4.48Å; F257-E261 HydrophobicContact CE2-CG 4.47Å; F257-E261 HydrophobicContact CZ-CB 3.8Å; F257-E261 HydrophobicContact CZ-CG 3.97Å; C258-E261 HydrophobicContact CB-CG 4.05Å; C258-E261 WeakPolarHBondContact O-CB 3.5Å; C258-E261 PolarHBondContact O-N 2.89Å; I259-E261 PolarHBondContact O-N 3.2Å; E261-F265 WeakPolarHBondContact OE2-CB 3.2Å; E261-A266 WeakPolarHBondContact O-CB 3.43Å; E261-A266 PolarHBondContact O-N 3.47Å; E261-A266 VanDerWaalsContact O-N 3.08Å; E261-Y272 HydrophobicContact CB-CE2 3.87Å; E261-Y272 PolarHBondContact OE2-OH 3.4Å
262Y95.2Very high91.5Very high2 Ų226.9 Ų26.91%0.00815%0.153CC..Iπ-helixtrans-69.5-41.8174.1-76.2-66.8000113.2F257 I259 F260 Y272 E273 Q291 V293 A296 R297 I463 Y475F257-Y262 HydrophobicContact CD1-CD2 4.38Å; F257-Y262 HydrophobicContact CD1-CE2 4.05Å; F257-Y262 HydrophobicContact CE1-CD2 4.02Å; F257-Y262 AromaticContact CE1-CE2 3.76Å; F257-Y262 HydrophobicContact CE1-CE2 3.76Å; I259-Y262 PolarHBondContact O-N 2.85Å; F260-Y262 VanDerWaalsContact C-N 3.32Å; Y262-Y272 HydrophobicContact CD1-CD2 4.39Å; Y262-Y272 AromaticContact CE1-CD2 3.95Å; Y262-Y272 HydrophobicContact CE1-CD2 3.95Å; Y262-Y272 HydrophobicContact CE2-CD2 4.5Å; Y262-Y272 WeakPolarHBondContact OH-CB 3.32Å; Y262-E273 VanDerWaalsContact CE2-OE2 3.31Å; Y262-E273 WeakPolarHBondContact CE2-OE2 3.29Å; Y262-E273 PolarHBondContact OH-OE2 2.7Å; Y262-Q291 HydrophobicContact CE1-CB 4.32Å; Y262-Q291 HydrophobicContact CE1-CG 3.81Å; Y262-Q291 PolarHBondContact OH-NE2 3.4Å; Y262-V293 HydrophobicContact CD1-CG2 4.09Å; Y262-V293 HydrophobicContact CE1-CG2 4.3Å; Y262-A296 HydrophobicContact CD1-CB 3.73Å; Y262-A296 HydrophobicContact CE1-CB 4.12Å; Y262-R297 WeakPolarHBondContact O-CG 3.38Å; Y262-R297 PolarHBondContact O-NE 2.71Å; Y262-R297 PolarHBondContact O-NH2 2.62Å; Y262-I463 HydrophobicContact CD1-CD1 4.29Å; Y262-I463 HydrophobicContact CD2-CD1 4.28Å; Y262-I463 HydrophobicContact CD2-CG2 3.48Å; Y262-I463 VanDerWaalsContact CD2-CG2 3.48Å; Y262-I463 HydrophobicContact CE2-CG2 3.41Å; Y262-I463 VanDerWaalsContact CE2-CG2 3.41Å; Y262-I463 HydrophobicContact CG-CD1 3.91Å; Y262-I463 HydrophobicContact CG-CG2 4.17Å; Y262-Y475 HydrophobicContact CE2-CE1 4.15Å
263I95.2Very high91.8Very high9 Ų924.6 Ų24.65%0.04612%0.124CC..Iπ-helixtrans-66.2-47.1-174.7-63.6166.7000111.4I259 F260 R297 D384 L459 F480I259-I263 HydrophobicContact CG1-CD1 4.45Å; I259-I263 HydrophobicContact CG2-CD1 4.15Å; I259-I263 WeakPolarHBondContact O-CG1 3.47Å; I259-I263 PolarHBondContact O-N 2.98Å; F260-I263 HydrophobicContact CD1-CB 4.22Å; F260-I263 HydrophobicContact CD1-CG2 4.34Å; F260-I263 HydrophobicContact CD2-CD1 4.14Å; F260-I263 HydrophobicContact CE1-CB 4.34Å; F260-I263 HydrophobicContact CE1-CG2 3.98Å; F260-I263 HydrophobicContact CE2-CD1 4.14Å; F260-I263 HydrophobicContact CG-CD1 4.36Å; F260-I263 HydrophobicContact CZ-CD1 4.32Å; F260-I263 HydrophobicContact CZ-CG2 4.43Å; F260-I263 PolarHBondContact O-N 3.13Å; I263-R297 PolarHBondContact O-NE 3.15Å; I263-D384 HydrophobicContact CG2-CB 4.33Å; I263-L459 HydrophobicContact CD1-CD2 3.84Å; I263-L459 HydrophobicContact CG1-CD1 4.39Å; I263-L459 HydrophobicContact CG1-CD2 4.36Å; I263-F480 HydrophobicContact CD1-CE2 4.03Å; I263-F480 HydrophobicContact CD1-CZ 3.54Å
264Y93Very high91.4Very high68 Ų6824.2 Ų24.227%0.26712%0.119SC..Iπ-helixtrans-144.3-46.3-166.3177.5-102.9000114.7F260 R297 D384F260-Y264 PolarHBondContact O-N 3.12Å; Y264-R297 VanDerWaalsContact C-NH2 3.27Å; Y264-R297 PolarHBondContact O-NH2 2.92Å; Y264-R297 VanDerWaalsContact O-NH2 3.15Å; Y264-D384 WeakPolarHBondContact CD2-OD1 3.33Å; Y264-D384 WeakPolarHBondContact CD2-OD2 3.26Å
265F90Very high90.3Very high11 Ų1122 Ų225%0.04811%0.107CC..Iπ-helixtrans-69.5-47.2-162.7-87.7-99.9000114.2M1 H2 E3 A4 H33 F260 E261 I424M1-F265 HydrophobicContact CG-CE2 3.98Å; M1-F265 HydrophobicContact CG-CZ 4.09Å; M1-F265 HydrophobicContact SD-CE2 3.68Å; M1-F265 HydrophobicContact SD-CZ 4.35Å; H2-F265 WeakPolarHBondContact O-CE1 3.47Å; H2-F265 WeakPolarHBondContact O-CZ 2.96Å; E3-F265 VanDerWaalsContact C-CE1 3.45Å; A4-F265 HydrophobicContact CB-CD1 3.94Å; A4-F265 HydrophobicContact CB-CE1 3.82Å; A4-F265 VanDerWaalsContact N-CE1 3.31Å; H33-F265 PolarHBondContact CD2-O 2.99Å; F260-F265 HydrophobicContact CB-CD2 4.16Å; F260-F265 HydrophobicContact CD1-CD2 4.15Å; F260-F265 HydrophobicContact CD1-CE2 4.14Å; F260-F265 PolarHBondContact O-N 2.97Å; E261-F265 WeakPolarHBondContact OE2-CB 3.2Å; F265-I424 HydrophobicContact CD2-CD1 4Å; F265-I424 HydrophobicContact CD2-CG1 4.42Å; F265-I424 HydrophobicContact CE1-CG1 4.22Å; F265-I424 HydrophobicContact CE2-CB 4.4Å; F265-I424 HydrophobicContact CE2-CD1 3.72Å; F265-I424 HydrophobicContact CE2-CG1 3.88Å; F265-I424 HydrophobicContact CE2-CG2 3.66Å; F265-I424 HydrophobicContact CZ-CB 4.18Å; F265-I424 HydrophobicContact CZ-CD1 4.2Å; F265-I424 HydrophobicContact CZ-CG1 3.82Å; F265-I424 HydrophobicContact CZ-CG2 3.55Å
266A93.7Very high88.4Confident2 Ų224.6 Ų24.62%0.01712%0.118CC..SBendtrans-69.7150.3-17500000111E212 E261 Y272 V293 R297E212-A266 VanDerWaalsContact OE2-CA 3.29Å; E212-A266 WeakPolarHBondContact OE2-CA 3.48Å; E212-A266 WeakPolarHBondContact OE2-CB 3.49Å; E261-A266 WeakPolarHBondContact O-CB 3.43Å; E261-A266 PolarHBondContact O-N 3.47Å; E261-A266 VanDerWaalsContact O-N 3.08Å; A266-Y272 HydrophobicContact CB-CE2 3.54Å; A266-Y272 WeakPolarHBondContact CB-OH 3.11Å; A266-V293 HydrophobicContact CB-CG1 4.27Å; A266-V293 HydrophobicContact CB-CG2 3.77Å; A266-R297 PolarHBondContact O-NH2 2.93Å
267R94.4Very high85.9Confident72 Ų7226.6 Ų26.627%0.27213%0.132SC..  trans-64.6145169.4-146.416977.5-172.54.3108.7G30 E212 C214 D269 S270G30-R267 PolarHBondContact O-NH1 2.78Å; E212-R267 PolarHBondContact OE2-N 2.93Å; C214-R267 HydrophobicContact CB-CB 4.17Å; C214-R267 VanDerWaalsContact CB-CZ 3.46Å; C214-R267 PolarHBondContact O-NH2 3.36Å; R267-D269 WeakPolarHBondContact CB-OD1 3.45Å; R267-D269 WeakPolarHBondContact CG-OD1 2.99Å; R267-D269 IonicContact CZ-OD1 3.01Å; R267-D269 IonicContact CZ-OD2 2.73Å; R267-D269 IonicContact NE-OD1 3.86Å; R267-D269 PolarHBondContact NE-OD1 3.47Å; R267-D269 IonicContact NE-OD2 3.45Å; R267-D269 PolarHBondContact NE-OD2 3.02Å; R267-D269 IonicContact NH2-OD1 3.14Å; R267-D269 IonicContact NH2-OD2 3.55Å; R267-D269 PolarHBondContact NH2-OD2 3.13Å; R267-D269 PolarHBondContact O-N 2.87Å; R267-S270 WeakPolarHBondContact O-CB 3.07Å; R267-S270 PolarHBondContact O-N 2.89Å; R267-S270 PolarHBondContact O-OG 2.85Å
268A94.5Very high83.3Confident28 Ų2835.9 Ų35.923%0.23117%0.172CC..THydrogen-bonded Turntrans-64.6-26.7-170.900000112.8Q292 H294A268-Q292 WeakPolarHBondContact O-CG 3.46Å; A268-H294 HydrophobicContact CB-CB 3.99Å; A268-H294 WeakPolarHBondContact O-CA 3.49Å; A268-H294 WeakPolarHBondContact O-CB 3.26Å; A268-H294 PolarHBondContact O-N 2.88Å
269D93.6Very high80.5Confident62 Ų6237.9 Ų37.933%0.33219%0.194SC..THydrogen-bonded Turntrans-86.5-4.1177.560.9-30.6000114.2R267R267-D269 WeakPolarHBondContact CB-OD1 3.45Å; R267-D269 WeakPolarHBondContact CG-OD1 2.99Å; R267-D269 IonicContact CZ-OD1 3.01Å; R267-D269 IonicContact CZ-OD2 2.73Å; R267-D269 IonicContact NE-OD1 3.86Å; R267-D269 PolarHBondContact NE-OD1 3.47Å; R267-D269 IonicContact NE-OD2 3.45Å; R267-D269 PolarHBondContact NE-OD2 3.02Å; R267-D269 IonicContact NH2-OD1 3.14Å; R267-D269 IonicContact NH2-OD2 3.55Å; R267-D269 PolarHBondContact NH2-OD2 3.13Å; R267-D269 PolarHBondContact O-N 2.87Å
270S94Very high77.6Confident0 Ų045.2 Ų45.20%023%0.232CC..  trans-67.3149.9171.5-63.20000111.8E212 C214 R267 Q292 V293E212-S270 VanDerWaalsContact OE2-CB 3.29Å; E212-S270 WeakPolarHBondContact OE2-CB 3.37Å; E212-S270 PolarHBondContact OE2-OG 2.89Å; C214-S270 WeakPolarHBondContact CB-OG 3.49Å; C214-S270 PolarHBondContact SG-OG 3.34Å; R267-S270 WeakPolarHBondContact O-CB 3.07Å; R267-S270 PolarHBondContact O-N 2.89Å; R267-S270 PolarHBondContact O-OG 2.85Å; S270-Q292 WeakPolarHBondContact O-CA 3.37Å; S270-V293 WeakPolarHBondContact O-CG2 3.17Å; S270-V293 PolarHBondContact O-N 3.2Å
271I92.4Very high75Confident14 Ų1453 Ų537%0.07226%0.262CS..EExtended strand (participates in β ladder)trans-122129.1-178.3-57.4174.8000108.5S213 L224 L287 Q292S213-I271 PolarHBondContact OG-N 3.34Å; S213-I271 PolarHBondContact OG-O 3.48Å; L224-I271 HydrophobicContact CD2-CB 4.37Å; L224-I271 HydrophobicContact CD2-CG2 4.48Å; I271-L287 HydrophobicContact CD1-CB 4.35Å; I271-L287 HydrophobicContact CD1-CD1 4.4Å; I271-L287 HydrophobicContact CD1-CD2 3.48Å; I271-L287 VanDerWaalsContact CD1-CD2 3.48Å; I271-L287 HydrophobicContact CD1-CG 3.41Å; I271-L287 VanDerWaalsContact CD1-CG 3.41Å; I271-Q292 HydrophobicContact CG1-CB 4.42Å; I271-Q292 HydrophobicContact CG1-CG 4.46Å
272Y91.4Very high72.6Confident5 Ų559 Ų592%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-125.7163.1174.6-61.3-47.6000110.7R34 P190 E212 F257 E261 Y262 A266 G274 Q291 V293R34-Y272 PolarHBondContact NH2-OH 2.84Å; P190-Y272 HydrophobicContact CB-CD1 4.18Å; P190-Y272 HydrophobicContact CB-CE1 3.43Å; P190-Y272 VanDerWaalsContact CB-CE1 3.43Å; P190-Y272 HydrophobicContact CG-CE1 4.11Å; E212-Y272 HydrophobicContact CG-CE1 4.39Å; E212-Y272 WeakPolarHBondContact CG-OH 3.34Å; F257-Y272 HydrophobicContact CE1-CD2 4.05Å; F257-Y272 HydrophobicContact CE1-CE2 4.42Å; F257-Y272 HydrophobicContact CE1-CG 4.34Å; F257-Y272 HydrophobicContact CZ-CD1 4.21Å; F257-Y272 AromaticContact CZ-CD2 3.88Å; F257-Y272 HydrophobicContact CZ-CD2 3.88Å; F257-Y272 HydrophobicContact CZ-CE1 4.35Å; F257-Y272 AromaticContact CZ-CE2 4Å; F257-Y272 HydrophobicContact CZ-CE2 4Å; F257-Y272 AromaticContact CZ-CG 3.97Å; F257-Y272 HydrophobicContact CZ-CG 3.97Å; E261-Y272 HydrophobicContact CB-CE2 3.87Å; E261-Y272 PolarHBondContact OE2-OH 3.4Å; Y262-Y272 HydrophobicContact CD1-CD2 4.39Å; Y262-Y272 AromaticContact CE1-CD2 3.95Å; Y262-Y272 HydrophobicContact CE1-CD2 3.95Å; Y262-Y272 HydrophobicContact CE2-CD2 4.5Å; Y262-Y272 WeakPolarHBondContact OH-CB 3.32Å; A266-Y272 HydrophobicContact CB-CE2 3.54Å; A266-Y272 WeakPolarHBondContact CB-OH 3.11Å; Y272-G274 PolarHBondContact O-N 2.83Å; Y272-Q291 PolarHBondContact N-O 2.9Å; Y272-Q291 VanDerWaalsContact N-O 3.09Å; Y272-Q291 PolarHBondContact O-N 3.03Å; Y272-V293 HydrophobicContact CD2-CG2 3.78Å; Y272-V293 HydrophobicContact CE2-CG2 3.71Å
273E82.9Confident70.3Confident22 Ų2263.1 Ų63.110%0.10332%0.316CS..SBendtrans55.332.6176.5-58.4176.299.400113.4E227 Y262 A467 N473 Y475E227-E273 WeakPolarHBondContact OE2-CA 3.21Å; E227-E273 PolarHBondContact OE2-N 2.99Å; Y262-E273 VanDerWaalsContact CE2-OE2 3.31Å; Y262-E273 WeakPolarHBondContact CE2-OE2 3.29Å; Y262-E273 PolarHBondContact OH-OE2 2.7Å; E273-A467 HydrophobicContact CB-CB 4.14Å; E273-N473 PolarHBondContact OE1-ND2 2.71Å; E273-Y475 PolarHBondContact OE1-OH 3.22Å; E273-Y475 PolarHBondContact OE2-OH 3.36Å; E273-Y475 VanDerWaalsContact OE2-OH 3.13Å
274G71.4Confident68.2Low15 Ų1569.6 Ų69.616%0.15534%0.344CS..PPolyproline II helixtrans-75.5142.7171.700000111.1Y272 G290Y272-G274 PolarHBondContact O-N 2.83Å; G274-G290 VanDerWaalsContact CA-CA 3.48Å
275R60.7Low66Low118 Ų11870.7 Ų70.745%0.44535%0.352SS..PPolyproline II helixtrans-96.2146.5173-80.9-174.1171-175.7-3.2109.9S277 S289 S468 S469R275-S277 PolarHBondContact O-N 3.05Å; R275-S289 PolarHBondContact N-OG 3.3Å; R275-S289 PolarHBondContact O-OG 3.1Å; R275-S468 VanDerWaalsContact CZ-O 3.23Å; R275-S468 PolarHBondContact NE-O 2.8Å; R275-S469 PolarHBondContact NH2-OG 3.01Å
276M49.5Very low64.1Low68 Ų6871.7 Ų71.734%0.33536%0.357SS..PPolyproline II helixtrans-76.2117.2164.9-145.6178.675.400108.2R226 F278R226-M276 HydrophobicContact CB-CB 4.47Å; R226-M276 HydrophobicContact CB-CG 4.35Å; R226-M276 HydrophobicContact CB-SD 4.25Å; R226-M276 HydrophobicContact CG-SD 4.41Å; M276-F278 HydrophobicContact CE-CD1 3.74Å; M276-F278 HydrophobicContact CE-CD2 3.35Å; M276-F278 HydrophobicContact CE-CE1 3.48Å; M276-F278 VanDerWaalsContact CE-CE1 3.48Å; M276-F278 HydrophobicContact CE-CE2 3.08Å; M276-F278 HydrophobicContact CE-CG 3.69Å; M276-F278 HydrophobicContact CE-CZ 3.16Å
277S39.2Very low62.1Low49 Ų4976.4 Ų76.434%0.34338%0.382SS..  trans-78.2114.4156.5-800000106.5R275 G279 E285R275-S277 PolarHBondContact O-N 3.05Å; S277-G279 PolarHBondContact O-N 3.02Å; S277-E285 WeakPolarHBondContact CB-OE1 3.01Å; S277-E285 PolarHBondContact OG-OE1 3.4Å
278F39.7Very low60.3Low202 Ų20278.7 Ų78.789%0.88640%0.399SS*.SBendtrans-69.684.1164.3-90.6-82.1000107.4M276M276-F278 HydrophobicContact CE-CD1 3.74Å; M276-F278 HydrophobicContact CE-CD2 3.35Å; M276-F278 HydrophobicContact CE-CE1 3.48Å; M276-F278 VanDerWaalsContact CE-CE1 3.48Å; M276-F278 HydrophobicContact CE-CE2 3.08Å; M276-F278 HydrophobicContact CE-CG 3.69Å; M276-F278 HydrophobicContact CE-CZ 3.16Å
279G36.1Very low59.1Low48 Ų4878.2 Ų78.250%0.49539%0.394SS..SBendtrans-168.4152.5-176.300000109.3S277 W281S277-G279 PolarHBondContact O-N 3.02Å; G279-W281 PolarHBondContact O-N 3.38Å; G279-W281 VanDerWaalsContact O-N 3.1Å
280L32.9Very low58.4Low154 Ų15476 Ų7681%0.80639%0.386SS*.SBendtrans-52.9112.4-169.9-71.9153.5000113.2D282L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 2.84Å
281W40.5Very low58.1Low163 Ų16376 Ų7662%0.61739%0.386SS*.  trans26.739140.3-47.884.9000121.1M204 G279M204-W281 HydrophobicContact CE-CE3 3.78Å; M204-W281 HydrophobicContact CE-CH2 3.72Å; M204-W281 HydrophobicContact CE-CZ3 3.15Å; M204-W281 HydrophobicContact CG-CH2 4.17Å; M204-W281 HydrophobicContact CG-CZ3 4.3Å; M204-W281 HydrophobicContact SD-CH2 4.32Å; M204-W281 HydrophobicContact SD-CZ3 3.84Å; G279-W281 PolarHBondContact O-N 3.38Å; G279-W281 VanDerWaalsContact O-N 3.1Å
282D44.6Very low58.1Low126 Ų12679.1 Ų79.167%0.67440%0.4SS*.  trans-98107.3156.5-84-22.2000108.8L280 F284 E285L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 2.84Å; D282-F284 PolarHBondContact O-N 3.25Å; D282-E285 PolarHBondContact O-N 2.66Å
283D46.9Very low58.3Low89 Ų8978.9 Ų78.948%0.47640%0.399SS..Hα-helixtrans-47.4-24.7176-68.6-31.4000113.1S223 E285S223-D283 WeakPolarHBondContact CB-OD1 3.32Å; S223-D283 PolarHBondContact OG-OD1 3.23Å; S223-D283 PolarHBondContact OG-OD2 2.96Å; S223-D283 VanDerWaalsContact OG-OD2 3.08Å; D283-E285 PolarHBondContact O-N 3.41Å
284F51.1Low58.9Low146 Ų14681.1 Ų81.164%0.6441%0.41SS*.Hα-helixtrans-64.8-34.1178.6-144.6-105.7000112.9D282 L287 L288D282-F284 PolarHBondContact O-N 3.25Å; F284-L287 PolarHBondContact O-N 3.29Å; F284-L288 HydrophobicContact CD1-CD1 3.4Å; F284-L288 VanDerWaalsContact CD1-CD1 3.4Å; F284-L288 HydrophobicContact CD1-CG 3.89Å; F284-L288 HydrophobicContact CE1-CD1 3.7Å; F284-L288 HydrophobicContact CE1-CD2 4.16Å; F284-L288 HydrophobicContact CE1-CG 4.02Å; F284-L288 HydrophobicContact CG-CD1 4.47Å; F284-L288 WeakPolarHBondContact O-CB 3.42Å; F284-L288 WeakPolarHBondContact O-CG 3.44Å; F284-L288 PolarHBondContact O-N 2.94Å
285E46.1Very low60Low91 Ų9186.3 Ų86.343%0.42542%0.424SS..Hα-helixtrans-72.8-39.7-172.9-151.7-171.6159.300112.4S277 D282 D283 L288 S289S277-E285 WeakPolarHBondContact CB-OE1 3.01Å; S277-E285 PolarHBondContact OG-OE1 3.4Å; D282-E285 PolarHBondContact O-N 2.66Å; D283-E285 PolarHBondContact O-N 3.41Å; E285-L288 PolarHBondContact O-N 2.73Å; E285-S289 WeakPolarHBondContact O-CB 3.28Å; E285-S289 PolarHBondContact O-N 3.01Å
286I49.8Very low61.7Low31 Ų3180.7 Ų80.716%0.15940%0.403CS..Hα-helixtrans-65.3-42.8174.5-70.7164.5000110.3L224 V225 L288 S289 G290L224-I286 HydrophobicContact CB-CG2 4.31Å; L224-I286 HydrophobicContact CD2-CG2 3.82Å; L224-I286 HydrophobicContact CG-CG2 3.85Å; L224-I286 WeakPolarHBondContact O-CD1 2.99Å; V225-I286 VanDerWaalsContact O-CD1 3.28Å; V225-I286 WeakPolarHBondContact O-CD1 3.31Å; I286-L288 VanDerWaalsContact C-N 3.27Å; I286-L288 PolarHBondContact O-N 3.45Å; I286-S289 PolarHBondContact O-N 3.14Å; I286-S289 PolarHBondContact O-OG 3.48Å; I286-G290 PolarHBondContact O-N 3.07Å; I286-G290 VanDerWaalsContact O-N 3.15Å
287L52.9Low64Low101 Ų10178.3 Ų78.353%0.52939%0.391SS..Hα-helixtrans-60.1-37.6176.1-125.9141.3000112I271 F284I271-L287 HydrophobicContact CD1-CB 4.35Å; I271-L287 HydrophobicContact CD1-CD1 4.4Å; I271-L287 HydrophobicContact CD1-CD2 3.48Å; I271-L287 VanDerWaalsContact CD1-CD2 3.48Å; I271-L287 HydrophobicContact CD1-CG 3.41Å; I271-L287 VanDerWaalsContact CD1-CG 3.41Å; F284-L287 PolarHBondContact O-N 3.29Å
288L57Low66.8Low120 Ų12077.2 Ų77.263%0.62838%0.38SS*.Hα-helixtrans-77-29176.5-73.8174000113.5F284 E285 I286F284-L288 HydrophobicContact CD1-CD1 3.4Å; F284-L288 VanDerWaalsContact CD1-CD1 3.4Å; F284-L288 HydrophobicContact CD1-CG 3.89Å; F284-L288 HydrophobicContact CE1-CD1 3.7Å; F284-L288 HydrophobicContact CE1-CD2 4.16Å; F284-L288 HydrophobicContact CE1-CG 4.02Å; F284-L288 HydrophobicContact CG-CD1 4.47Å; F284-L288 WeakPolarHBondContact O-CB 3.42Å; F284-L288 WeakPolarHBondContact O-CG 3.44Å; F284-L288 PolarHBondContact O-N 2.94Å; E285-L288 PolarHBondContact O-N 2.73Å; I286-L288 VanDerWaalsContact C-N 3.27Å; I286-L288 PolarHBondContact O-N 3.45Å
289S67.5Low69.5Low19 Ų1970.9 Ų70.913%0.13335%0.35CS..Hα-helixtrans-79.6-18.2178.881.50000113.1R275 E285 I286 S468R275-S289 PolarHBondContact N-OG 3.3Å; R275-S289 PolarHBondContact O-OG 3.1Å; E285-S289 WeakPolarHBondContact O-CB 3.28Å; E285-S289 PolarHBondContact O-N 3.01Å; I286-S289 PolarHBondContact O-N 3.14Å; I286-S289 PolarHBondContact O-OG 3.48Å; S289-S468 WeakPolarHBondContact O-CB 3.49Å; S289-S468 PolarHBondContact O-OG 2.68Å
290G80.1Confident72.5Confident16 Ų1668.9 Ų68.917%0.16533%0.328CS..SBendtrans-93.6167-179.500000114.2G274 I286G274-G290 VanDerWaalsContact CA-CA 3.48Å; I286-G290 PolarHBondContact O-N 3.07Å; I286-G290 VanDerWaalsContact O-N 3.15Å
291Q88.2Confident75.6Confident0 Ų061.6 Ų61.60%029%0.29CS..EExtended strand (participates in β ladder)trans-98.2107.5170.8-178.6163.4-157.600110.2Y262 Y272 V293 A296 I463Y262-Q291 HydrophobicContact CE1-CB 4.32Å; Y262-Q291 HydrophobicContact CE1-CG 3.81Å; Y262-Q291 PolarHBondContact OH-NE2 3.4Å; Y272-Q291 PolarHBondContact N-O 2.9Å; Y272-Q291 VanDerWaalsContact N-O 3.09Å; Y272-Q291 PolarHBondContact O-N 3.03Å; Q291-V293 PolarHBondContact O-N 3.28Å; Q291-A296 HydrophobicContact CG-CB 4Å; Q291-A296 VanDerWaalsContact OE1-CB 3.28Å; Q291-I463 PolarHBondContact NE2-O 3.17Å
292Q92Very high78.4Confident79 Ų7955.8 Ų55.837%0.36927%0.271SS..EExtended strand (participates in β ladder)trans-67.3131.7169.5-166.3-175.426.400110.6A268 S270 I271 H294 R295 A296A268-Q292 WeakPolarHBondContact O-CG 3.46Å; S270-Q292 WeakPolarHBondContact O-CA 3.37Å; I271-Q292 HydrophobicContact CG1-CB 4.42Å; I271-Q292 HydrophobicContact CG1-CG 4.46Å; Q292-H294 VanDerWaalsContact C-N 3.3Å; Q292-H294 HydrophobicContact CG-CB 4.39Å; Q292-H294 PolarHBondContact O-N 3.27Å; Q292-R295 HydrophobicContact CB-CB 4.37Å; Q292-R295 PolarHBondContact O-N 2.96Å; Q292-A296 PolarHBondContact O-N 2.89Å
293V95Very high80.9Confident0 Ų051.8 Ų51.80%025%0.247CC..Hα-helixtrans-57.8-40.6-176.9172.20000112Y262 A266 S270 Y272 Q291 R295 A296 R297Y262-V293 HydrophobicContact CD1-CG2 4.09Å; Y262-V293 HydrophobicContact CE1-CG2 4.3Å; A266-V293 HydrophobicContact CB-CG1 4.27Å; A266-V293 HydrophobicContact CB-CG2 3.77Å; S270-V293 WeakPolarHBondContact O-CG2 3.17Å; S270-V293 PolarHBondContact O-N 3.2Å; Y272-V293 HydrophobicContact CD2-CG2 3.78Å; Y272-V293 HydrophobicContact CE2-CG2 3.71Å; Q291-V293 PolarHBondContact O-N 3.28Å; V293-R295 VanDerWaalsContact C-N 3.32Å; V293-R295 PolarHBondContact O-N 2.89Å; V293-A296 WeakPolarHBondContact O-CB 3.33Å; V293-A296 PolarHBondContact O-N 3.34Å; V293-R297 HydrophobicContact CG1-CG 4.5Å; V293-R297 VanDerWaalsContact CG1-CZ 3.45Å; V293-R297 WeakPolarHBondContact O-CG 3.19Å; V293-R297 PolarHBondContact O-N 3.14Å
294H96.1Very high83.4Confident69 Ų6947.5 Ų47.532%0.31922%0.224SC..Hα-helixtrans-55.7-47.8175.8-177.5-83.2000111.4A268 Q292 A296 R297 F298 P324A268-H294 HydrophobicContact CB-CB 3.99Å; A268-H294 WeakPolarHBondContact O-CA 3.49Å; A268-H294 WeakPolarHBondContact O-CB 3.26Å; A268-H294 PolarHBondContact O-N 2.88Å; Q292-H294 VanDerWaalsContact C-N 3.3Å; Q292-H294 HydrophobicContact CG-CB 4.39Å; Q292-H294 PolarHBondContact O-N 3.27Å; H294-A296 VanDerWaalsContact C-N 3.34Å; H294-R297 PolarHBondContact O-N 3.46Å; H294-F298 WeakPolarHBondContact O-CB 3.29Å; H294-F298 PolarHBondContact O-N 2.96Å; H294-P324 WeakPolarHBondContact CD2-CG 3.34Å
295R94.7Very high85.7Confident123 Ų12340.9 Ų40.946%0.46420%0.197SC..Hα-helixtrans-69-35-177.9-169.964.7175.7155.6-0.8111.4Q292 V293 R299Q292-R295 HydrophobicContact CB-CB 4.37Å; Q292-R295 PolarHBondContact O-N 2.96Å; V293-R295 VanDerWaalsContact C-N 3.32Å; V293-R295 PolarHBondContact O-N 2.89Å; R295-R299 WeakPolarHBondContact O-CG 3.25Å; R295-R299 PolarHBondContact O-N 3.37Å; R295-R299 VanDerWaalsContact O-N 3.08Å
296A94.9Very high88.2Confident0 Ų043.6 Ų43.60%021%0.207CC..Hα-helixtrans-62.3-49.917300000111.5Y262 Q291 Q292 V293 H294 F298 R299 C300 I463Y262-A296 HydrophobicContact CD1-CB 3.73Å; Y262-A296 HydrophobicContact CE1-CB 4.12Å; Q291-A296 HydrophobicContact CG-CB 4Å; Q291-A296 VanDerWaalsContact OE1-CB 3.28Å; Q292-A296 PolarHBondContact O-N 2.89Å; V293-A296 WeakPolarHBondContact O-CB 3.33Å; V293-A296 PolarHBondContact O-N 3.34Å; H294-A296 VanDerWaalsContact C-N 3.34Å; A296-F298 VanDerWaalsContact C-N 3.32Å; A296-F298 PolarHBondContact O-N 3.27Å; A296-R299 PolarHBondContact O-N 2.95Å; A296-C300 PolarHBondContact O-N 3.02Å; A296-C300 PolarHBondContact O-SG 3.19Å; A296-I463 HydrophobicContact CB-CD1 3.78Å
297R97.8Very high90.5Very high19 Ų1945.5 Ų45.57%0.07222%0.215CC..Hα-helixtrans-60.2-41176.5-70.2177.4-174.6163.19.1112.2Y262 I263 Y264 A266 V293 H294 R299 C300 G301 P324 A325Y262-R297 WeakPolarHBondContact O-CG 3.38Å; Y262-R297 PolarHBondContact O-NE 2.71Å; Y262-R297 PolarHBondContact O-NH2 2.62Å; I263-R297 PolarHBondContact O-NE 3.15Å; Y264-R297 VanDerWaalsContact C-NH2 3.27Å; Y264-R297 PolarHBondContact O-NH2 2.92Å; Y264-R297 VanDerWaalsContact O-NH2 3.15Å; A266-R297 PolarHBondContact O-NH2 2.93Å; V293-R297 HydrophobicContact CG1-CG 4.5Å; V293-R297 VanDerWaalsContact CG1-CZ 3.45Å; V293-R297 WeakPolarHBondContact O-CG 3.19Å; V293-R297 PolarHBondContact O-N 3.14Å; H294-R297 PolarHBondContact O-N 3.46Å; R297-R299 PolarHBondContact O-N 2.65Å; R297-C300 WeakPolarHBondContact O-CB 3.46Å; R297-C300 PolarHBondContact O-N 3.06Å; R297-G301 PolarHBondContact O-N 2.91Å; R297-P324 HydrophobicContact CB-CB 3.85Å; R297-P324 HydrophobicContact CB-CG 4.32Å; R297-A325 WeakPolarHBondContact O-CA 3.39Å; R297-A325 WeakPolarHBondContact O-CB 3.49Å
298F98.1Very high92.6Very high26 Ų2641.3 Ų41.311%0.11420%0.195CC..Hα-helixtrans-58.3-47.5174.5-172.9-91.8000112.6H294 A296 C300 G301 I302 P324 L327 G328 Q331H294-F298 WeakPolarHBondContact O-CB 3.29Å; H294-F298 PolarHBondContact O-N 2.96Å; A296-F298 VanDerWaalsContact C-N 3.32Å; A296-F298 PolarHBondContact O-N 3.27Å; F298-C300 VanDerWaalsContact C-N 3.31Å; F298-C300 PolarHBondContact O-N 3.09Å; F298-G301 WeakPolarHBondContact O-CA 3.2Å; F298-G301 PolarHBondContact O-N 3.33Å; F298-G301 VanDerWaalsContact O-N 3.12Å; F298-I302 HydrophobicContact CD1-CD1 3.94Å; F298-I302 HydrophobicContact CD1-CG1 4.48Å; F298-I302 HydrophobicContact CE1-CD1 3.69Å; F298-I302 HydrophobicContact CE1-CG1 4.31Å; F298-I302 PolarHBondContact O-N 3.49Å; F298-I302 VanDerWaalsContact O-N 3.12Å; F298-P324 WeakPolarHBondContact CA-O 3.32Å; F298-P324 HydrophobicContact CB-CB 4.4Å; F298-P324 VanDerWaalsContact CD2-O 3.28Å; F298-P324 WeakPolarHBondContact CD2-O 3.44Å; F298-L327 HydrophobicContact CD2-CB 4.11Å; F298-L327 HydrophobicContact CE2-CB 3.81Å; F298-G328 WeakPolarHBondContact O-CA 3.33Å; F298-Q331 VanDerWaalsContact CE1-OE1 3.24Å; F298-Q331 HydrophobicContact CZ-CB 4.4Å
299R97.6Very high94.6Very high69 Ų6940 Ų4026%0.2619%0.194SC..Hα-helixtrans-64.6-34.4176.1-69.9179.4-125-176.6-1.7112.4R295 A296 R297 G301 I302 K303 V462R295-R299 WeakPolarHBondContact O-CG 3.25Å; R295-R299 PolarHBondContact O-N 3.37Å; R295-R299 VanDerWaalsContact O-N 3.08Å; A296-R299 PolarHBondContact O-N 2.95Å; R297-R299 PolarHBondContact O-N 2.65Å; R299-G301 VanDerWaalsContact C-N 3.27Å; R299-G301 PolarHBondContact O-N 3.1Å; R299-I302 WeakPolarHBondContact O-CB 3.4Å; R299-I302 PolarHBondContact O-N 2.95Å; R299-K303 PolarHBondContact O-N 3.05Å; R299-V462 HydrophobicContact CB-CG1 3.43Å; R299-V462 VanDerWaalsContact CB-CG1 3.43Å; R299-V462 HydrophobicContact CB-CG2 4.44Å
300C98.3Very high96.1Very high6 Ų640.5 Ų40.54%0.04120%0.196CC..Hα-helixtrans-61.1-39.8172.6-65.90000110.9A296 R297 F298 K303 L304 L454A296-C300 PolarHBondContact O-N 3.02Å; A296-C300 PolarHBondContact O-SG 3.19Å; R297-C300 WeakPolarHBondContact O-CB 3.46Å; R297-C300 PolarHBondContact O-N 3.06Å; F298-C300 VanDerWaalsContact C-N 3.31Å; F298-C300 PolarHBondContact O-N 3.09Å; C300-K303 PolarHBondContact O-N 2.64Å; C300-L304 VanDerWaalsContact O-CB 3.27Å; C300-L304 WeakPolarHBondContact O-CB 3.34Å; C300-L304 PolarHBondContact O-N 3.03Å; C300-L454 HydrophobicContact CB-CD2 3.93Å
301G98.5Very high96.9Very high0 Ų046 Ų460%022%0.222CC..Hα-helixtrans-58.1-47171.700000113.8R297 F298 R299 K303 L304 A305 A325 F329R297-G301 PolarHBondContact O-N 2.91Å; F298-G301 WeakPolarHBondContact O-CA 3.2Å; F298-G301 PolarHBondContact O-N 3.33Å; F298-G301 VanDerWaalsContact O-N 3.12Å; R299-G301 VanDerWaalsContact C-N 3.27Å; R299-G301 PolarHBondContact O-N 3.1Å; G301-K303 PolarHBondContact O-N 2.76Å; G301-L304 PolarHBondContact O-N 3.1Å; G301-A305 PolarHBondContact O-N 3.25Å; G301-A325 WeakPolarHBondContact CA-O 3.46Å; G301-F329 WeakPolarHBondContact O-CA 3.45Å
302I98.7Very high97.4Very high42 Ų4246.6 Ų46.622%0.21523%0.226CC..Hα-helixtrans-59.2-47.4175.3-66.7173.7000110.7F298 R299 L304 A305 K306 G328F298-I302 HydrophobicContact CD1-CD1 3.94Å; F298-I302 HydrophobicContact CD1-CG1 4.48Å; F298-I302 HydrophobicContact CE1-CD1 3.69Å; F298-I302 HydrophobicContact CE1-CG1 4.31Å; F298-I302 PolarHBondContact O-N 3.49Å; F298-I302 VanDerWaalsContact O-N 3.12Å; R299-I302 WeakPolarHBondContact O-CB 3.4Å; R299-I302 PolarHBondContact O-N 2.95Å; I302-L304 VanDerWaalsContact C-N 3.34Å; I302-L304 PolarHBondContact O-N 2.92Å; I302-A305 PolarHBondContact O-N 2.8Å; I302-K306 HydrophobicContact CG2-CD 4.47Å; I302-K306 WeakPolarHBondContact O-CG 3.32Å; I302-K306 PolarHBondContact O-N 2.65Å; I302-G328 VanDerWaalsContact CG1-O 3.31Å; I302-G328 WeakPolarHBondContact CG1-O 3.43Å
303K98.6Very high97.7Very high41 Ų4145.8 Ų45.818%0.17823%0.225CC..Hα-helixtrans-62.9-42.9-180-172.368.1173.8-163.40111.2R299 C300 G301 A305 K306 E307 L454 E461 V462R299-K303 PolarHBondContact O-N 3.05Å; C300-K303 PolarHBondContact O-N 2.64Å; G301-K303 PolarHBondContact O-N 2.76Å; K303-A305 VanDerWaalsContact C-N 3.34Å; K303-A305 PolarHBondContact O-N 3.42Å; K303-K306 PolarHBondContact O-N 3.39Å; K303-K306 VanDerWaalsContact O-N 3.15Å; K303-E307 WeakPolarHBondContact CE-OE1 3.32Å; K303-E307 HydrophobicContact CG-CG 4.45Å; K303-E307 WeakPolarHBondContact CG-OE1 3.21Å; K303-E307 WeakPolarHBondContact O-CG 3.34Å; K303-E307 PolarHBondContact O-N 3.29Å; K303-L454 HydrophobicContact CB-CD1 3.96Å; K303-L454 HydrophobicContact CG-CD1 3.71Å; K303-E461 IonicContact NZ-OE1 3.54Å; K303-E461 PolarHBondContact NZ-OE1 2.88Å; K303-E461 IonicContact NZ-OE2 3.77Å; K303-E461 PolarHBondContact NZ-OE2 3.23Å; K303-V462 HydrophobicContact CB-CG2 3.73Å; K303-V462 HydrophobicContact CG-CG2 4.13Å
304L98.7Very high97.9Very high0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-61.5-39.1177.9-177.459.7000112.7C300 G301 I302 K306 E307 A308 F329 R410 A412 L454C300-L304 VanDerWaalsContact O-CB 3.27Å; C300-L304 WeakPolarHBondContact O-CB 3.34Å; C300-L304 PolarHBondContact O-N 3.03Å; G301-L304 PolarHBondContact O-N 3.1Å; I302-L304 VanDerWaalsContact C-N 3.34Å; I302-L304 PolarHBondContact O-N 2.92Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 3.36Å; L304-E307 PolarHBondContact O-N 2.84Å; L304-A308 HydrophobicContact CD1-CB 4.39Å; L304-A308 PolarHBondContact O-N 2.7Å; L304-F329 HydrophobicContact CB-CD2 4.12Å; L304-F329 HydrophobicContact CB-CE2 4.43Å; L304-F329 HydrophobicContact CD2-CD2 4.08Å; L304-F329 HydrophobicContact CD2-CE2 4.36Å; L304-F329 HydrophobicContact CG-CD2 3.88Å; L304-F329 HydrophobicContact CG-CE2 3.87Å; L304-R410 HydrophobicContact CD2-CB 3.81Å; L304-R410 HydrophobicContact CG-CB 4.34Å; L304-A412 HydrophobicContact CD2-CB 4.35Å; L304-L454 HydrophobicContact CB-CD1 4.2Å; L304-L454 HydrophobicContact CD1-CB 4.09Å
305A98.6Very high98Very high7 Ų742.9 Ų42.96%0.05821%0.212CC..Hα-helixtrans-63.1-36.2175.400000112.8G301 I302 K303 F329G301-A305 PolarHBondContact O-N 3.25Å; I302-A305 PolarHBondContact O-N 2.8Å; K303-A305 VanDerWaalsContact C-N 3.34Å; K303-A305 PolarHBondContact O-N 3.42Å; A305-F329 VanDerWaalsContact CA-CE2 3.47Å; A305-F329 HydrophobicContact CB-CB 4.35Å; A305-F329 HydrophobicContact CB-CD1 3.63Å; A305-F329 HydrophobicContact CB-CD2 3.85Å; A305-F329 HydrophobicContact CB-CE1 3.84Å; A305-F329 HydrophobicContact CB-CE2 4.02Å; A305-F329 HydrophobicContact CB-CG 3.67Å; A305-F329 HydrophobicContact CB-CZ 4.03Å
306K98.6Very high98.2Very high148 Ų14837.1 Ų37.164%0.64319%0.19SC*.Hα-helixtrans-74.2-39.9177.5-65.8175.2-178.5-178.40112.3I302 K303 L304I302-K306 HydrophobicContact CG2-CD 4.47Å; I302-K306 WeakPolarHBondContact O-CG 3.32Å; I302-K306 PolarHBondContact O-N 2.65Å; K303-K306 PolarHBondContact O-N 3.39Å; K303-K306 VanDerWaalsContact O-N 3.15Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 3.36Å
307E98.6Very high98.3Very high71 Ų7137.1 Ų37.133%0.33219%0.19SC..Hα-helixtrans-76.6-32.2-179-72.3-176.5-167.300113.1K303 L304 S455 G458K303-E307 WeakPolarHBondContact CE-OE1 3.32Å; K303-E307 HydrophobicContact CG-CG 4.45Å; K303-E307 WeakPolarHBondContact CG-OE1 3.21Å; K303-E307 WeakPolarHBondContact O-CG 3.34Å; K303-E307 PolarHBondContact O-N 3.29Å; L304-E307 PolarHBondContact O-N 2.84Å; E307-S455 PolarHBondContact OE1-OG 2.69Å; E307-S455 WeakPolarHBondContact OE2-CB 3.36Å; E307-S455 PolarHBondContact OE2-N 2.78Å; E307-S455 PolarHBondContact OE2-OG 3.27Å; E307-G458 VanDerWaalsContact OE1-CA 3.32Å; E307-G458 WeakPolarHBondContact OE1-CA 3.28Å
308A98Very high97.8Very high13 Ų1336.7 Ų36.711%0.10719%0.19CC..SBendtrans-138.563.3-17400000112.1L304 R410 A452L304-A308 HydrophobicContact CD1-CB 4.39Å; L304-A308 PolarHBondContact O-N 2.7Å; A308-R410 PolarHBondContact O-NE 3.04Å; A308-R410 PolarHBondContact O-NH2 2.69Å; A308-A452 HydrophobicContact CB-CB 3.48Å; A308-A452 VanDerWaalsContact CB-CB 3.48Å
309P98.1Very high97.3Very high92 Ų9236.6 Ų36.660%0.59719%0.192SC*.  trans-62159.6176.128.6-35.6000111.6R410P309-R410 PolarHBondContact O-NH2 2.96Å
310V98.3Very high96.8Very high30 Ų3036.8 Ų36.818%0.18220%0.203CC..  trans-160.9142171.357.10000110.2A312 I335 V380 H408 R410V310-A312 PolarHBondContact O-N 2.77Å; V310-I335 WeakPolarHBondContact O-CD1 3.29Å; V310-V380 HydrophobicContact CG1-CG2 3.62Å; V310-H408 HydrophobicContact CG1-CB 4.2Å; V310-H408 HydrophobicContact CG2-CB 4.34Å; V310-H408 WeakPolarHBondContact CG2-ND1 3.46Å; V310-R410 VanDerWaalsContact CB-NH2 3.33Å
311D97.7Very high96.4Very high131 Ų13137.8 Ų37.870%0.70121%0.21SC*.  trans-75.3121.7172.8-62.8-31.1000109.7R378D311-R378 PolarHBondContact O-NH1 3.19Å
312A98.4Very high96.2Very high12 Ų1237.8 Ų37.810%0.09921%0.211CC..  trans-154.3168.5179.400000109.6V310 I335 R378 V380V310-A312 PolarHBondContact O-N 2.77Å; A312-I335 HydrophobicContact CB-CD1 4.23Å; A312-R378 HydrophobicContact CB-CB 4.18Å; A312-R378 WeakPolarHBondContact CB-O 3.49Å; A312-V380 HydrophobicContact CB-CG2 3.43Å; A312-V380 VanDerWaalsContact CB-CG2 3.43Å
313D98.6Very high96.1Very high63 Ų6337.6 Ų37.634%0.33721%0.211SC..SBendtrans-96.1-27.4-175.6-49.7-46.3000111.6C377 R378D313-C377 HydrophobicContact CB-CB 4.05Å; D313-C377 WeakPolarHBondContact OD2-CA 3.44Å; D313-R378 PolarHBondContact N-O 2.92Å; D313-R378 IonicContact OD1-CZ 3.46Å; D313-R378 IonicContact OD1-NE 3.26Å; D313-R378 PolarHBondContact OD1-NE 3.21Å; D313-R378 IonicContact OD1-NH2 2.78Å; D313-R378 PolarHBondContact OD1-NH2 2.84Å; D313-R378 WeakPolarHBondContact OD2-CB 3.49Å; D313-R378 PolarHBondContact OD2-N 3.37Å; D313-R378 IonicContact OD2-NE 3.38Å; D313-R378 PolarHBondContact OD2-NE 2.87Å
314L98.5Very high96.1Very high8 Ų835.9 Ų35.94%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-151.4157.3176.866.692.6000113P336 Q338 V340 N373 C377 R378 V379 V380L314-P336 WeakPolarHBondContact CA-O 3.4Å; L314-Q338 HydrophobicContact CB-CB 4.39Å; L314-V340 HydrophobicContact CD1-CG1 3.73Å; L314-N373 WeakPolarHBondContact CD2-O 3.5Å; L314-C377 HydrophobicContact CD2-CB 3.79Å; L314-C377 HydrophobicContact CG-CB 4.49Å; L314-R378 PolarHBondContact N-O 3.04Å; L314-V379 HydrophobicContact CD1-CB 4.26Å; L314-V379 HydrophobicContact CD1-CG1 3.81Å; L314-V379 HydrophobicContact CD1-CG2 3.93Å; L314-V379 HydrophobicContact CD2-CG2 4.44Å; L314-V379 HydrophobicContact CG-CG2 4.19Å; L314-V380 PolarHBondContact O-N 3.44Å
315I98.5Very high96Very high0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-111.1139.1171.7-54.3-156.6000109.6A326 F329 I335 P336 Y337 Q338 V380 V382I315-A326 HydrophobicContact CG2-CB 4.33Å; I315-F329 HydrophobicContact CD1-CB 4.34Å; I315-F329 HydrophobicContact CD1-CD1 3.13Å; I315-F329 HydrophobicContact CD1-CE1 3.64Å; I315-F329 HydrophobicContact CD1-CG 4.02Å; I315-I335 HydrophobicContact CD1-CB 4.02Å; I315-I335 HydrophobicContact CD1-CG2 4.37Å; I315-I335 HydrophobicContact CG1-CB 3.81Å; I315-I335 HydrophobicContact CG1-CG2 3.62Å; I315-P336 PolarHBondContact N-O 2.78Å; I315-Y337 CarbonylContact O-C 3.53Å; I315-Y337 VanDerWaalsContact O-CA 3.28Å; I315-Y337 WeakPolarHBondContact O-CA 3.42Å; I315-Y337 WeakPolarHBondContact O-CD2 3.18Å; I315-Q338 PolarHBondContact O-N 2.81Å; I315-V380 WeakPolarHBondContact CA-O 3.35Å; I315-V380 HydrophobicContact CD1-CB 4.48Å; I315-V380 HydrophobicContact CG1-CB 4.12Å; I315-V380 HydrophobicContact CG1-CG2 4.38Å; I315-V380 HydrophobicContact CG2-CB 4.5Å; I315-V382 HydrophobicContact CG2-CG2 3.91Å
316S98.2Very high96Very high2 Ų235.7 Ų35.71%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-140.1175.2171-171.20000110.4Q338 V340 V380 V382S316-Q338 WeakPolarHBondContact CB-O 3.24Å; S316-Q338 PolarHBondContact OG-O 2.91Å; S316-V340 VanDerWaalsContact OG-CG2 3.29Å; S316-V340 WeakPolarHBondContact OG-CG2 3.39Å; S316-V340 PolarHBondContact OG-N 2.7Å; S316-V380 PolarHBondContact N-O 2.98Å; S316-V382 PolarHBondContact O-N 2.78Å
317T97.2Very high96Very high0 Ų031.7 Ų31.70%019%0.188CC..EExtended strand (participates in β ladder)trans-124165.4174.7-168.20000111.4P319 A322 T323 Y337 V382T317-P319 HydrophobicContact CG2-CG 4.28Å; T317-P319 WeakPolarHBondContact O-CD 3.47Å; T317-A322 WeakPolarHBondContact OG1-CB 3.28Å; T317-T323 WeakPolarHBondContact CG2-OG1 3.49Å; T317-T323 PolarHBondContact OG1-N 3.04Å; T317-Y337 HydrophobicContact CG2-CE2 4.3Å; T317-Y337 WeakPolarHBondContact CG2-OH 3.37Å; T317-V382 VanDerWaalsContact CA-O 3.27Å; T317-V382 WeakPolarHBondContact CA-O 3.22Å; T317-V382 PolarHBondContact OG1-O 3.16Å
318V88.4Confident96Very high10 Ų1028.3 Ų28.36%0.06117%0.172CC..SBendtrans-83115.1153.2-174.70000107.9F367 L381 V382 M392 L395V318-F367 HydrophobicContact CG1-CE1 4.01Å; V318-F367 HydrophobicContact CG1-CE2 4.32Å; V318-F367 HydrophobicContact CG1-CZ 3.76Å; V318-L381 HydrophobicContact CG2-CD1 4.14Å; V318-L381 HydrophobicContact CG2-CD2 3.99Å; V318-L381 HydrophobicContact CG2-CG 4.13Å; V318-V382 PolarHBondContact N-O 2.96Å; V318-M392 HydrophobicContact CG2-CE 3.89Å; V318-L395 HydrophobicContact CB-CD1 4.37Å; V318-L395 HydrophobicContact CG1-CD1 3.78Å; V318-L395 HydrophobicContact CG2-CD1 3.61Å
319P88.1Confident96.1Very high24 Ų2427.7 Ų27.716%0.15617%0.167CC..THydrogen-bonded Turntrans-69.6141.7-175.3-22.534.3000112.7T317 K343T317-P319 HydrophobicContact CG2-CG 4.28Å; T317-P319 WeakPolarHBondContact O-CD 3.47Å; P319-K343 HydrophobicContact CB-CB 4.3Å; P319-K343 HydrophobicContact CB-CD 4.35Å
320S86.7Confident96.1Very high73 Ų7324.2 Ų24.251%0.5115%0.145SC..THydrogen-bonded Turncis-128.2-111450.10000114.7A322 T323 K343S320-A322 PolarHBondContact O-N 2.82Å; S320-T323 PolarHBondContact O-OG1 3.24Å; S320-K343 PolarHBondContact OG-NZ 3.09Å
321S88.4Confident96.1Very high26 Ų2629 Ų2918%0.18217%0.166CC..THydrogen-bonded Turntrans-64.7-38.9-175.7380000112.9P324 D384S321-P324 VanDerWaalsContact O-CD 3.32Å; S321-P324 WeakPolarHBondContact O-CD 3.46Å; S321-D384 WeakPolarHBondContact CB-OD2 3.22Å; S321-D384 PolarHBondContact OG-OD2 2.86Å
322A95.2Very high96.1Very high1 Ų125 Ų251%0.00815%0.148CC..THydrogen-bonded Turntrans-89.3-4.4-174.500000114.7T317 S320 P324 A325 A326 D384T317-A322 WeakPolarHBondContact OG1-CB 3.28Å; S320-A322 PolarHBondContact O-N 2.82Å; A322-P324 VanDerWaalsContact C-CD 3.4Å; A322-P324 VanDerWaalsContact C-N 3.34Å; A322-A325 WeakPolarHBondContact O-CB 3.36Å; A322-A325 PolarHBondContact O-N 3.27Å; A322-A326 PolarHBondContact O-N 2.77Å; A322-D384 HydrophobicContact CB-CB 4.27Å
323T96.8Very high96.1Very high37 Ų3726.6 Ų26.623%0.22716%0.158CC..Hα-helixtrans-50.2-45.6177.3-56.10000113.3T317 S320 A325 A326 L327T317-T323 WeakPolarHBondContact CG2-OG1 3.49Å; T317-T323 PolarHBondContact OG1-N 3.04Å; S320-T323 PolarHBondContact O-OG1 3.24Å; T323-A325 VanDerWaalsContact C-N 3.32Å; T323-A325 PolarHBondContact O-N 2.88Å; T323-A326 PolarHBondContact O-N 3.11Å; T323-L327 HydrophobicContact CG2-CD1 4.09Å; T323-L327 HydrophobicContact CG2-CG 4.41Å; T323-L327 WeakPolarHBondContact O-CG 3.43Å; T323-L327 PolarHBondContact O-N 3.47Å
324P97.7Very high96.1Very high6 Ų626.9 Ų26.94%0.03918%0.176CC..Hα-helixtrans-62.9-40.3179.3-19.432.9000112H294 R297 F298 S321 A322 L327 G328H294-P324 WeakPolarHBondContact CD2-CG 3.34Å; R297-P324 HydrophobicContact CB-CB 3.85Å; R297-P324 HydrophobicContact CB-CG 4.32Å; F298-P324 WeakPolarHBondContact CA-O 3.32Å; F298-P324 HydrophobicContact CB-CB 4.4Å; F298-P324 VanDerWaalsContact CD2-O 3.28Å; F298-P324 WeakPolarHBondContact CD2-O 3.44Å; S321-P324 VanDerWaalsContact O-CD 3.32Å; S321-P324 WeakPolarHBondContact O-CD 3.46Å; A322-P324 VanDerWaalsContact C-CD 3.4Å; A322-P324 VanDerWaalsContact C-N 3.34Å; P324-L327 PolarHBondContact O-N 2.79Å; P324-G328 PolarHBondContact O-N 2.92Å
325A98.4Very high96.1Very high3 Ų327.5 Ų27.53%0.02518%0.179CC..Hα-helixtrans-66.1-38.6177.500000111.7R297 G301 A322 T323 G328 F329 V382 A412R297-A325 WeakPolarHBondContact O-CA 3.39Å; R297-A325 WeakPolarHBondContact O-CB 3.49Å; G301-A325 WeakPolarHBondContact CA-O 3.46Å; A322-A325 WeakPolarHBondContact O-CB 3.36Å; A322-A325 PolarHBondContact O-N 3.27Å; T323-A325 VanDerWaalsContact C-N 3.32Å; T323-A325 PolarHBondContact O-N 2.88Å; A325-G328 PolarHBondContact O-N 3.39Å; A325-F329 WeakPolarHBondContact O-CB 3.39Å; A325-F329 PolarHBondContact O-N 3.09Å; A325-V382 HydrophobicContact CB-CG1 4.1Å; A325-A412 HydrophobicContact CB-CB 3.67Å
326A98.6Very high96.1Very high0 Ų031.4 Ų31.40%020%0.204CC..Hα-helixtrans-65.1-42.1176.400000112.3I315 A322 T323 F329 S330 Y337 V382I315-A326 HydrophobicContact CG2-CB 4.33Å; A322-A326 PolarHBondContact O-N 2.77Å; T323-A326 PolarHBondContact O-N 3.11Å; A326-F329 PolarHBondContact O-N 2.97Å; A326-S330 WeakPolarHBondContact O-CB 3.4Å; A326-S330 PolarHBondContact O-N 3.47Å; A326-Y337 HydrophobicContact CB-CD2 4.06Å; A326-Y337 HydrophobicContact CB-CE2 3.79Å; A326-V382 HydrophobicContact CB-CB 3.85Å; A326-V382 HydrophobicContact CB-CG1 4.3Å; A326-V382 HydrophobicContact CB-CG2 4.17Å
327L98.5Very high96.1Very high64 Ų6433.8 Ų33.834%0.33521%0.213SC..Hα-helixtrans-63.6-41.6174.3-67.7171.7000111.7F298 T323 P324 S330 Q331 Y337F298-L327 HydrophobicContact CD2-CB 4.11Å; F298-L327 HydrophobicContact CE2-CB 3.81Å; T323-L327 HydrophobicContact CG2-CD1 4.09Å; T323-L327 HydrophobicContact CG2-CG 4.41Å; T323-L327 WeakPolarHBondContact O-CG 3.43Å; T323-L327 PolarHBondContact O-N 3.47Å; P324-L327 PolarHBondContact O-N 2.79Å; L327-S330 PolarHBondContact O-N 3.25Å; L327-Q331 PolarHBondContact O-N 3.09Å; L327-Y337 HydrophobicContact CD2-CD1 3.88Å; L327-Y337 HydrophobicContact CD2-CD2 4.14Å; L327-Y337 HydrophobicContact CD2-CE1 4.34Å; L327-Y337 HydrophobicContact CD2-CG 3.78Å
328G98.5Very high96.2Very high0 Ų037.8 Ų37.80%023%0.232CC..Hα-helixtrans-64.4-40.5175.500000112.8F298 I302 P324 A325 S332F298-G328 WeakPolarHBondContact O-CA 3.33Å; I302-G328 VanDerWaalsContact CG1-O 3.31Å; I302-G328 WeakPolarHBondContact CG1-O 3.43Å; P324-G328 PolarHBondContact O-N 2.92Å; A325-G328 PolarHBondContact O-N 3.39Å; G328-S332 PolarHBondContact O-N 2.81Å; G328-S332 VanDerWaalsContact O-N 3.13Å
329F98.7Very high96.6Very high0 Ų042.2 Ų42.20%025%0.252CS..Hα-helixtrans-62.7-49.5174.6-164.8-59000110.1G301 L304 A305 I315 A325 A326 Q331 S332 S333 V382 R410G301-F329 WeakPolarHBondContact O-CA 3.45Å; L304-F329 HydrophobicContact CB-CD2 4.12Å; L304-F329 HydrophobicContact CB-CE2 4.43Å; L304-F329 HydrophobicContact CD2-CD2 4.08Å; L304-F329 HydrophobicContact CD2-CE2 4.36Å; L304-F329 HydrophobicContact CG-CD2 3.88Å; L304-F329 HydrophobicContact CG-CE2 3.87Å; A305-F329 VanDerWaalsContact CA-CE2 3.47Å; A305-F329 HydrophobicContact CB-CB 4.35Å; A305-F329 HydrophobicContact CB-CD1 3.63Å; A305-F329 HydrophobicContact CB-CD2 3.85Å; A305-F329 HydrophobicContact CB-CE1 3.84Å; A305-F329 HydrophobicContact CB-CE2 4.02Å; A305-F329 HydrophobicContact CB-CG 3.67Å; A305-F329 HydrophobicContact CB-CZ 4.03Å; I315-F329 HydrophobicContact CD1-CB 4.34Å; I315-F329 HydrophobicContact CD1-CD1 3.13Å; I315-F329 HydrophobicContact CD1-CE1 3.64Å; I315-F329 HydrophobicContact CD1-CG 4.02Å; A325-F329 WeakPolarHBondContact O-CB 3.39Å; A325-F329 PolarHBondContact O-N 3.09Å; A326-F329 PolarHBondContact O-N 2.97Å; F329-Q331 PolarHBondContact O-N 3.16Å; F329-S332 PolarHBondContact O-N 3.4Å; F329-S332 VanDerWaalsContact O-N 3.1Å; F329-S333 PolarHBondContact O-N 3.08Å; F329-S333 PolarHBondContact O-OG 3.18Å; F329-V382 HydrophobicContact CB-CG2 4.4Å; F329-V382 HydrophobicContact CD2-CG2 4.42Å; F329-V382 HydrophobicContact CG-CG2 4.47Å; F329-R410 HydrophobicContact CD2-CB 4.44Å; F329-R410 HydrophobicContact CE2-CB 4.02Å; F329-R410 HydrophobicContact CE2-CG 3.65Å; F329-R410 HydrophobicContact CZ-CG 4.02Å
330S98.7Very high97Very high18 Ų1841.1 Ų41.113%0.12625%0.245CC..Hα-helixtrans-55.9-47.1178.3173.10000112.4A326 L327 S332 S333 G334 I335 Y337A326-S330 WeakPolarHBondContact O-CB 3.4Å; A326-S330 PolarHBondContact O-N 3.47Å; L327-S330 PolarHBondContact O-N 3.25Å; S330-S332 VanDerWaalsContact C-N 3.3Å; S330-S332 PolarHBondContact O-N 2.85Å; S330-S333 PolarHBondContact O-N 2.85Å; S330-G334 PolarHBondContact O-N 2.99Å; S330-I335 WeakPolarHBondContact CA-O 3.39Å; S330-I335 WeakPolarHBondContact CB-O 3.48Å; S330-I335 PolarHBondContact OG-O 3.43Å; S330-Y337 PolarHBondContact OG-N 3.43Å
331Q98.5Very high97.4Very high132 Ų13237.8 Ų37.862%0.61722%0.221SC*.Hα-helixtrans-60.1-41.4176.5-172.7-175.111.500111.8F298 L327 F329F298-Q331 VanDerWaalsContact CE1-OE1 3.24Å; F298-Q331 HydrophobicContact CZ-CB 4.4Å; L327-Q331 PolarHBondContact O-N 3.09Å; F329-Q331 PolarHBondContact O-N 3.16Å
332S98.4Very high97.6Very high46 Ų4639.7 Ų39.732%0.32223%0.234SC..Hα-helixtrans-78.4-29.5-176-171.30000113.8G328 F329 S330G328-S332 PolarHBondContact O-N 2.81Å; G328-S332 VanDerWaalsContact O-N 3.13Å; F329-S332 PolarHBondContact O-N 3.4Å; F329-S332 VanDerWaalsContact O-N 3.1Å; S330-S332 VanDerWaalsContact C-N 3.3Å; S330-S332 PolarHBondContact O-N 2.85Å
333S98.3Very high97.3Very high46 Ų4642.8 Ų42.832%0.32225%0.247SC..Hα-helixtrans-91.1-19.6179.5670000113.4F329 S330 I335F329-S333 PolarHBondContact O-N 3.08Å; F329-S333 PolarHBondContact O-OG 3.18Å; S330-S333 PolarHBondContact O-N 2.85Å; S333-I335 PolarHBondContact O-N 3.18Å; S333-I335 PolarHBondContact OG-N 3.35Å
334G98.3Very high96.9Very high68 Ų6842.9 Ų42.970%0.70125%0.249SC*.  trans77.8-0.4-172.700000114.3S330S330-G334 PolarHBondContact O-N 2.99Å
335I98.6Very high96.1Very high22 Ų2248.7 Ų48.711%0.11328%0.28CS..PPolyproline II helixtrans-80.1129.5177-56.9172.9000108.4V310 A312 I315 S330 S333V310-I335 WeakPolarHBondContact O-CD1 3.29Å; A312-I335 HydrophobicContact CB-CD1 4.23Å; I315-I335 HydrophobicContact CD1-CB 4.02Å; I315-I335 HydrophobicContact CD1-CG2 4.37Å; I315-I335 HydrophobicContact CG1-CB 3.81Å; I315-I335 HydrophobicContact CG1-CG2 3.62Å; S330-I335 WeakPolarHBondContact CA-O 3.39Å; S330-I335 WeakPolarHBondContact CB-O 3.48Å; S330-I335 PolarHBondContact OG-O 3.43Å; S333-I335 PolarHBondContact O-N 3.18Å; S333-I335 PolarHBondContact OG-N 3.35Å
336P98.4Very high95Very high82 Ų8259 Ų5953%0.53232%0.32SS..PPolyproline II helixtrans-64.9140.8-174.926.5-34.9000112.4L314 I315L314-P336 WeakPolarHBondContact CA-O 3.4Å; I315-P336 PolarHBondContact N-O 2.78Å
337Y98.5Very high93.7Very high51 Ų5161.4 Ų61.420%0.234%0.335CS..BIsolated β-bridgetrans-80.9129.9170.1176.8-90.7000110.2I315 T317 A326 L327 S330 E339I315-Y337 CarbonylContact O-C 3.53Å; I315-Y337 VanDerWaalsContact O-CA 3.28Å; I315-Y337 WeakPolarHBondContact O-CA 3.42Å; I315-Y337 WeakPolarHBondContact O-CD2 3.18Å; T317-Y337 HydrophobicContact CG2-CE2 4.3Å; T317-Y337 WeakPolarHBondContact CG2-OH 3.37Å; A326-Y337 HydrophobicContact CB-CD2 4.06Å; A326-Y337 HydrophobicContact CB-CE2 3.79Å; L327-Y337 HydrophobicContact CD2-CD1 3.88Å; L327-Y337 HydrophobicContact CD2-CD2 4.14Å; L327-Y337 HydrophobicContact CD2-CE1 4.34Å; L327-Y337 HydrophobicContact CD2-CG 3.78Å; S330-Y337 PolarHBondContact OG-N 3.43Å; Y337-E339 HydrophobicContact CE1-CG 4.03Å
338Q97.6Very high92Very high84 Ų8461.2 Ų61.239%0.39335%0.348SS..  trans-142.7136.5174.8-172.965.534.800109.7L314 I315 S316 V340 N373L314-Q338 HydrophobicContact CB-CB 4.39Å; I315-Q338 PolarHBondContact O-N 2.81Å; S316-Q338 WeakPolarHBondContact CB-O 3.24Å; S316-Q338 PolarHBondContact OG-O 2.91Å; Q338-V340 PolarHBondContact O-N 3.23Å; Q338-N373 HydrophobicContact CG-CB 3.75Å; Q338-N373 PolarHBondContact NE2-ND2 2.94Å; Q338-N373 VanDerWaalsContact NE2-ND2 3.1Å
339E97Very high90Very high104 Ų10465.8 Ų65.849%0.48637%0.365SS..  trans-70.5128.7177.7-62.2-174.2131.900111.5Y337 L370 N373Y337-E339 HydrophobicContact CE1-CG 4.03Å; E339-L370 HydrophobicContact CB-CD1 3.89Å; E339-N373 WeakPolarHBondContact O-CB 3.14Å; E339-N373 PolarHBondContact O-ND2 2.81Å
340V97.4Very high87.5Confident0 Ų069.1 Ų69.10%039%0.388CS..  trans-105.7-13.4173.8-54.80000113.4L314 S316 Q338 P369 L370 Y374 V379 L381 L399L314-V340 HydrophobicContact CD1-CG1 3.73Å; S316-V340 VanDerWaalsContact OG-CG2 3.29Å; S316-V340 WeakPolarHBondContact OG-CG2 3.39Å; S316-V340 PolarHBondContact OG-N 2.7Å; Q338-V340 PolarHBondContact O-N 3.23Å; V340-P369 WeakPolarHBondContact O-CA 3.41Å; V340-L370 PolarHBondContact O-N 3.29Å; V340-Y374 HydrophobicContact CB-CD1 3.65Å; V340-Y374 HydrophobicContact CB-CE1 3.93Å; V340-Y374 HydrophobicContact CB-CG 4.41Å; V340-Y374 HydrophobicContact CG1-CD1 3.7Å; V340-Y374 HydrophobicContact CG1-CE1 4.46Å; V340-Y374 HydrophobicContact CG1-CG 4.09Å; V340-V379 HydrophobicContact CG1-CG1 4.24Å; V340-L381 HydrophobicContact CG2-CD1 4.33Å; V340-L399 HydrophobicContact CB-CD2 3.92Å; V340-L399 HydrophobicContact CG2-CD1 4.27Å; V340-L399 HydrophobicContact CG2-CD2 3.8Å
341F95.1Very high84.7Confident3 Ų375.8 Ų75.81%0.01342%0.415CS..EExtended strand (participates in β ladder)trans-130.3133.3178.4-62.4-62.7000111.4F367 S368 L381 L395 L398 L399F341-F367 HydrophobicContact CB-CB 4.4Å; F341-F367 HydrophobicContact CB-CD1 4.36Å; F341-F367 HydrophobicContact CD1-CB 4.23Å; F341-F367 HydrophobicContact CG-CB 4.39Å; F341-S368 CarbonylContact C-O 3.57Å; F341-S368 VanDerWaalsContact CA-O 3.31Å; F341-S368 WeakPolarHBondContact CA-O 3.35Å; F341-L381 HydrophobicContact CE2-CD1 4.07Å; F341-L381 HydrophobicContact CE2-CD2 4.18Å; F341-L395 HydrophobicContact CE1-CD2 4.04Å; F341-L395 HydrophobicContact CE2-CB 4.27Å; F341-L395 HydrophobicContact CE2-CD2 4.26Å; F341-L395 HydrophobicContact CZ-CB 3.9Å; F341-L395 HydrophobicContact CZ-CD2 3.83Å; F341-L395 HydrophobicContact CZ-CG 4.35Å; F341-L398 HydrophobicContact CE1-CD2 4.05Å; F341-L399 HydrophobicContact CE1-CD2 3.98Å; F341-L399 HydrophobicContact CE1-CG 4.14Å; F341-L399 HydrophobicContact CE2-CD1 4.06Å; F341-L399 HydrophobicContact CE2-CD2 4.38Å; F341-L399 HydrophobicContact CE2-CG 4.28Å; F341-L399 HydrophobicContact CZ-CD1 3.79Å; F341-L399 HydrophobicContact CZ-CD2 3.75Å; F341-L399 HydrophobicContact CZ-CG 3.55Å
342C91.8Very high81.5Confident66 Ų6676.6 Ų76.645%0.44642%0.422SS..EExtended strand (participates in β ladder)trans-90.2124.3160.8-178.10000109.1F367 S368 L370C342-F367 WeakPolarHBondContact O-CA 3.25Å; C342-S368 PolarHBondContact N-O 2.92Å; C342-S368 PolarHBondContact O-N 3.23Å; C342-L370 HydrophobicContact CB-CD2 4.12Å; C342-L370 HydrophobicContact CB-CG 4.37Å
343K90Very high78.8Confident66 Ų6678.4 Ų78.429%0.28743%0.425SS..EExtended strand (participates in β ladder)trans-86.3126.5174.9-178.9-176174.5-1720109.8P319 S320 N345 K366 F367P319-K343 HydrophobicContact CB-CB 4.3Å; P319-K343 HydrophobicContact CB-CD 4.35Å; S320-K343 PolarHBondContact OG-NZ 3.09Å; K343-N345 PolarHBondContact O-N 2.89Å; K343-K366 CarbonylContact C-O 3.4Å; K343-K366 WeakPolarHBondContact CA-O 3.48Å; K343-F367 HydrophobicContact CB-CD1 4.21Å; K343-F367 HydrophobicContact CB-CE1 4.14Å; K343-F367 HydrophobicContact CD-CE1 4.37Å; K343-F367 HydrophobicContact CG-CD1 4.42Å; K343-F367 HydrophobicContact CG-CE1 4.02Å
344S87.3Confident75.9Confident40 Ų4081.3 Ų81.328%0.2844%0.443SS..PPolyproline II helixtrans-77117.2171.2-174.40000110.4Y346 K366S344-Y346 VanDerWaalsContact C-N 3.29Å; S344-Y346 PolarHBondContact O-N 3.07Å; S344-K366 PolarHBondContact N-O 2.81Å
345N81.4Confident73.4Confident127 Ų12785.4 Ų85.468%0.67944%0.442SS*.THydrogen-bonded Turntrans-78-13.1-178.6-68.2-31.5000113.5K343K343-N345 PolarHBondContact O-N 2.89Å
346Y76.4Confident71.3Confident219 Ų21990.1 Ų90.186%0.85947%0.468SS*.THydrogen-bonded Turntrans-100.6-3.3-174.7-53.9-75000113.4S344 G348S344-Y346 VanDerWaalsContact C-N 3.29Å; S344-Y346 PolarHBondContact O-N 3.07Å; Y346-G348 PolarHBondContact O-N 3.18Å; Y346-G348 VanDerWaalsContact O-N 3.1Å
347V71.2Confident69.3Low52 Ų5290 Ų9032%0.31547%0.473SS..  trans-79.897.1174.7-179.30000108.2Q365V347-Q365 HydrophobicContact CG2-CB 4.41Å
348G62.7Low67.2Low59 Ų5989 Ų8961%0.60847%0.474SS*.  trans-64.7170.9171.900000112.6Y346 S350Y346-G348 PolarHBondContact O-N 3.18Å; Y346-G348 VanDerWaalsContact O-N 3.1Å; G348-S350 PolarHBondContact O-N 3.33Å
349R56.3Low65.3Low97 Ų9791.1 Ų91.137%0.36648%0.478SS..  trans-69.3113.2171.2-65.6-176.8-167.2-170.7-0.4108.9E3 Q36 F351E3-R349 IonicContact OE1-NH2 2.63Å; E3-R349 PolarHBondContact OE1-NH2 3.41Å; E3-R349 IonicContact OE2-CZ 3.07Å; E3-R349 IonicContact OE2-NH1 3.36Å; E3-R349 IonicContact OE2-NH2 2.85Å; E3-R349 PolarHBondContact OE2-NH2 2.81Å; Q36-R349 VanDerWaalsContact CD-CZ 3.45Å; Q36-R349 VanDerWaalsContact OE1-CZ 3.27Å; R349-F351 HydrophobicContact CB-CD2 4.36Å; R349-F351 HydrophobicContact CB-CE2 4.17Å; R349-F351 WeakPolarHBondContact O-CD2 3.28Å; R349-F351 PolarHBondContact O-N 3.03Å; R349-F351 VanDerWaalsContact O-N 3.13Å
350S45.5Very low63.5Low69 Ų6992.2 Ų92.248%0.48348%0.481SS..  trans-71.8101.8168.259.30000108.7G348 I352G348-S350 PolarHBondContact O-N 3.33Å; S350-I352 PolarHBondContact O-N 3.04Å
351F39.9Very low62Low159 Ų15995 Ų9570%0.69750%0.501SS*.SBendtrans-68-14.9-179.4-87.4-92.9000114R349R349-F351 HydrophobicContact CB-CD2 4.36Å; R349-F351 HydrophobicContact CB-CE2 4.17Å; R349-F351 WeakPolarHBondContact O-CD2 3.28Å; R349-F351 PolarHBondContact O-N 3.03Å; R349-F351 VanDerWaalsContact O-N 3.13Å
352I31.8Very low60.8Low149 Ų14995.9 Ų95.976%0.76451%0.507SS*.  trans-126.884.6-174.3-49.2173.3000109.3S350S350-I352 PolarHBondContact O-N 3.04Å
353Q42.2Very low59.8Low83 Ų8393.7 Ų93.739%0.38849%0.491SS..  trans-141.390.8162.9-77.9-154.9-10.700110.3F355 S358 S362Q353-F355 VanDerWaalsContact C-N 3.26Å; Q353-F355 PolarHBondContact O-N 3.01Å; Q353-S358 WeakPolarHBondContact CB-OG 3.31Å; Q353-S358 VanDerWaalsContact CD-CB 3.43Å; Q353-S358 PolarHBondContact OE1-O 3.11Å; Q353-S358 PolarHBondContact OE1-OG 2.83Å; Q353-S362 PolarHBondContact OE1-OG 3.37Å
354P37.3Very low59Low107 Ų10796.2 Ų96.270%0.69550%0.502SS*.  trans-780.6-172.416.6-10.8000115
355F45.2Very low58.3Low154 Ų15499.5 Ų99.568%0.67551%0.513SS*.SBendtrans-124.2138.2-174.1-67-77.3000112.5Q353 A357 S358 R359Q353-F355 VanDerWaalsContact C-N 3.26Å; Q353-F355 PolarHBondContact O-N 3.01Å; F355-A357 PolarHBondContact O-N 3.28Å; F355-A357 VanDerWaalsContact O-N 3.11Å; F355-S358 PolarHBondContact O-N 3.41Å; F355-S358 VanDerWaalsContact O-N 3.1Å; F355-S358 PolarHBondContact O-OG 2.81Å; F355-R359 PolarHBondContact O-N 2.84Å
356D55.4Low58.4Low122 Ų12297.5 Ų97.565%0.65250%0.498SS*.Hα-helixtrans-57-29-179.7-82.9-32.4000113.9K360D356-K360 PolarHBondContact O-N 2.92Å
357A56.3Low59Low78 Ų7887.7 Ų87.765%0.64546%0.46SS*.Hα-helixtrans-66-40.9178.200000112.4F355 K360F355-A357 PolarHBondContact O-N 3.28Å; F355-A357 VanDerWaalsContact O-N 3.11Å; A357-K360 PolarHBondContact O-N 3.14Å
358S53.3Low59.9Low32 Ų3287.9 Ų87.922%0.22446%0.464CS..Hα-helixtrans-75.2-34.3-178.358.50000111Q353 F355 K360 S361 S362Q353-S358 WeakPolarHBondContact CB-OG 3.31Å; Q353-S358 VanDerWaalsContact CD-CB 3.43Å; Q353-S358 PolarHBondContact OE1-O 3.11Å; Q353-S358 PolarHBondContact OE1-OG 2.83Å; F355-S358 PolarHBondContact O-N 3.41Å; F355-S358 VanDerWaalsContact O-N 3.1Å; F355-S358 PolarHBondContact O-OG 2.81Å; S358-K360 VanDerWaalsContact C-N 3.3Å; S358-K360 PolarHBondContact O-N 3.3Å; S358-S361 WeakPolarHBondContact O-CA 3.23Å; S358-S361 VanDerWaalsContact O-CB 3.27Å; S358-S361 WeakPolarHBondContact O-CB 3.43Å; S358-S361 PolarHBondContact O-N 3.29Å; S358-S362 PolarHBondContact O-N 3.49Å; S358-S362 VanDerWaalsContact O-N 3.1Å; S358-S362 PolarHBondContact O-OG 2.88Å
359R57Low61.4Low128 Ų12887.2 Ų87.248%0.48345%0.448SS..Hα-helixtrans-59.3-36.4172.8-160.8175-171139.15.1113.6F355 S361 S362 I363F355-R359 PolarHBondContact O-N 2.84Å; R359-S361 VanDerWaalsContact C-N 3.33Å; R359-S362 PolarHBondContact O-N 3.32Å; R359-I363 PolarHBondContact O-N 2.95Å
360K61.2Low63.3Low127 Ų12785.1 Ų85.155%0.55244%0.444SS*.Hα-helixtrans-65.2-36.2174.2-72.5177.2-178.8172.10112.2D356 A357 S358 K364 V394D356-K360 PolarHBondContact O-N 2.92Å; A357-K360 PolarHBondContact O-N 3.14Å; S358-K360 VanDerWaalsContact C-N 3.3Å; S358-K360 PolarHBondContact O-N 3.3Å; K360-K364 PolarHBondContact O-N 3.32Å; K360-V394 HydrophobicContact CG-CG2 4.05Å
361S65.7Low65.8Low58 Ų5884.1 Ų84.141%0.40644%0.435SS..Hα-helixtrans-64.9-44.1175.1-1700000111.2S358 R359 I363 K364 Q365S358-S361 WeakPolarHBondContact O-CA 3.23Å; S358-S361 VanDerWaalsContact O-CB 3.27Å; S358-S361 WeakPolarHBondContact O-CB 3.43Å; S358-S361 PolarHBondContact O-N 3.29Å; R359-S361 VanDerWaalsContact C-N 3.33Å; S361-I363 VanDerWaalsContact C-N 3.28Å; S361-I363 PolarHBondContact O-N 3.44Å; S361-K364 WeakPolarHBondContact O-CB 3.16Å; S361-K364 PolarHBondContact O-N 3.31Å; S361-Q365 PolarHBondContact O-N 2.85Å
362S68.3Low68.5Low21 Ų2185.7 Ų85.715%0.14745%0.445CS..Hα-helixtrans-61.6-33.2179.6-52.20000113.2Q353 S358 R359 Q365 K366Q353-S362 PolarHBondContact OE1-OG 3.37Å; S358-S362 PolarHBondContact O-N 3.49Å; S358-S362 VanDerWaalsContact O-N 3.1Å; S358-S362 PolarHBondContact O-OG 2.88Å; R359-S362 PolarHBondContact O-N 3.32Å; S362-Q365 PolarHBondContact O-N 3.19Å; S362-K366 WeakPolarHBondContact O-CB 3.44Å; S362-K366 PolarHBondContact O-N 3.05Å
363I71.7Confident71.7Confident21 Ų2181.2 Ų81.211%0.10842%0.422CS..Hα-helixtrans-66.5-42.7174.5-65.8164.8000110.8R359 S361 Q365 K366 F367 T391 V394 L395R359-I363 PolarHBondContact O-N 2.95Å; S361-I363 VanDerWaalsContact C-N 3.28Å; S361-I363 PolarHBondContact O-N 3.44Å; I363-Q365 VanDerWaalsContact C-N 3.29Å; I363-Q365 PolarHBondContact O-N 2.72Å; I363-K366 PolarHBondContact O-N 2.98Å; I363-K366 VanDerWaalsContact O-N 3.1Å; I363-F367 HydrophobicContact CG2-CD2 4.26Å; I363-F367 PolarHBondContact O-N 3Å; I363-T391 HydrophobicContact CD1-CG2 4.27Å; I363-V394 HydrophobicContact CB-CG1 4.22Å; I363-V394 HydrophobicContact CD1-CB 4.28Å; I363-V394 HydrophobicContact CD1-CG1 4.42Å; I363-V394 HydrophobicContact CD1-CG2 4.23Å; I363-V394 HydrophobicContact CG2-CB 4.4Å; I363-V394 HydrophobicContact CG2-CG1 3.82Å; I363-L395 HydrophobicContact CG2-CD2 3.99Å; I363-L395 HydrophobicContact CG2-CG 4.42Å
364K72.1Confident74.3Confident118 Ų11877.2 Ų77.251%0.51340%0.404SS..Hα-helixtrans-65.9-32176.3-70.4-173.2174.3-171.10112.6K360 S361 K366K360-K364 PolarHBondContact O-N 3.32Å; S361-K364 WeakPolarHBondContact O-CB 3.16Å; S361-K364 PolarHBondContact O-N 3.31Å; K364-K366 VanDerWaalsContact C-N 3.32Å
365Q74.2Confident77.2Confident110 Ų11081.4 Ų81.451%0.51441%0.406SS..Hα-helixtrans-69.2-33.8172-69.3178-9.400111.8V347 S361 S362 I363V347-Q365 HydrophobicContact CG2-CB 4.41Å; S361-Q365 PolarHBondContact O-N 2.85Å; S362-Q365 PolarHBondContact O-N 3.19Å; I363-Q365 VanDerWaalsContact C-N 3.29Å; I363-Q365 PolarHBondContact O-N 2.72Å
366K83.3Confident79.7Confident85 Ų8576.5 Ų76.537%0.3740%0.398SS..Hα-helixtrans-79.4-35.5-178-166.3173.3-177.6179.90113.2K343 S344 S362 I363 K364K343-K366 CarbonylContact C-O 3.4Å; K343-K366 WeakPolarHBondContact CA-O 3.48Å; S344-K366 PolarHBondContact N-O 2.81Å; S362-K366 WeakPolarHBondContact O-CB 3.44Å; S362-K366 PolarHBondContact O-N 3.05Å; I363-K366 PolarHBondContact O-N 2.98Å; I363-K366 VanDerWaalsContact O-N 3.1Å; K364-K366 VanDerWaalsContact C-N 3.32Å
367F88.7Confident81.8Confident12 Ų1272.1 Ų72.15%0.05338%0.377CS..EExtended strand (participates in β ladder)trans-127.4115.4-177.5-59.5-76000111.1V318 F341 C342 K343 I363 L395V318-F367 HydrophobicContact CG1-CE1 4.01Å; V318-F367 HydrophobicContact CG1-CE2 4.32Å; V318-F367 HydrophobicContact CG1-CZ 3.76Å; F341-F367 HydrophobicContact CB-CB 4.4Å; F341-F367 HydrophobicContact CB-CD1 4.36Å; F341-F367 HydrophobicContact CD1-CB 4.23Å; F341-F367 HydrophobicContact CG-CB 4.39Å; C342-F367 WeakPolarHBondContact O-CA 3.25Å; K343-F367 HydrophobicContact CB-CD1 4.21Å; K343-F367 HydrophobicContact CB-CE1 4.14Å; K343-F367 HydrophobicContact CD-CE1 4.37Å; K343-F367 HydrophobicContact CG-CD1 4.42Å; K343-F367 HydrophobicContact CG-CE1 4.02Å; I363-F367 HydrophobicContact CG2-CD2 4.26Å; I363-F367 PolarHBondContact O-N 3Å; F367-L395 HydrophobicContact CB-CD2 4.02Å; F367-L395 HydrophobicContact CD2-CD2 4.07Å; F367-L395 HydrophobicContact CG-CD2 4.24Å
368S90.8Very high83.8Confident57 Ų5772 Ų7240%0.39936%0.36SS..EExtended strand (participates in β ladder)trans-100.3132.7176.1-60.90000110.7F341 C342F341-S368 CarbonylContact C-O 3.57Å; F341-S368 VanDerWaalsContact CA-O 3.31Å; F341-S368 WeakPolarHBondContact CA-O 3.35Å; C342-S368 PolarHBondContact N-O 2.92Å; C342-S368 PolarHBondContact O-N 3.23Å
369P94.1Very high86Confident44 Ų4470.4 Ų70.429%0.28635%0.349SS..EExtended strand (participates in β ladder)trans-72.2135-179.326.8-30000112.2V340 V371 Y374 L398 T402V340-P369 WeakPolarHBondContact O-CA 3.41Å; P369-V371 HydrophobicContact CB-CG2 4.12Å; P369-V371 HydrophobicContact CG-CG2 4.36Å; P369-V371 PolarHBondContact O-N 2.55Å; P369-Y374 WeakPolarHBondContact CB-OH 3.39Å; P369-L398 HydrophobicContact CG-CD1 4.29Å; P369-L398 HydrophobicContact CG-CD2 4.46Å; P369-L398 HydrophobicContact CG-CG 4.42Å; P369-T402 HydrophobicContact CB-CG2 4.48Å; P369-T402 HydrophobicContact CG-CG2 4.2Å
370L96.2Very high87.9Confident53 Ų5364.3 Ų64.328%0.27733%0.326SS..  trans-94.467.4173.3-63.8174.4000110.2E339 V340 C342 Q372 N373 Y374E339-L370 HydrophobicContact CB-CD1 3.89Å; V340-L370 PolarHBondContact O-N 3.29Å; C342-L370 HydrophobicContact CB-CD2 4.12Å; C342-L370 HydrophobicContact CB-CG 4.37Å; L370-Q372 VanDerWaalsContact C-N 3.26Å; L370-Q372 PolarHBondContact O-N 2.85Å; L370-Q372 VanDerWaalsContact O-N 3.09Å; L370-N373 HydrophobicContact CB-CB 4.43Å; L370-N373 VanDerWaalsContact O-CB 3.3Å; L370-N373 WeakPolarHBondContact O-CB 3.48Å; L370-N373 PolarHBondContact O-N 2.79Å; L370-Y374 WeakPolarHBondContact O-CD1 3.46Å; L370-Y374 WeakPolarHBondContact O-CE1 3.31Å
371V97Very high89.7Confident48 Ų4858.3 Ų58.329%0.29130%0.3SS..G310 helixtrans-53.4-37-165.5-179.20000114.3P369 N373 Y374 R375 T402P369-V371 HydrophobicContact CB-CG2 4.12Å; P369-V371 HydrophobicContact CG-CG2 4.36Å; P369-V371 PolarHBondContact O-N 2.55Å; V371-N373 PolarHBondContact O-N 3.46Å; V371-N373 VanDerWaalsContact O-N 3.16Å; V371-Y374 PolarHBondContact O-N 3.46Å; V371-R375 HydrophobicContact CG1-CB 4.39Å; V371-R375 WeakPolarHBondContact O-CB 3.48Å; V371-R375 PolarHBondContact O-N 2.87Å; V371-R375 VanDerWaalsContact O-N 3.13Å; V371-T402 VanDerWaalsContact CG1-O 3.3Å; V371-T402 WeakPolarHBondContact CG1-O 3.24Å; V371-T402 HydrophobicContact CG2-CG2 4.38Å
372Q97.4Very high91.3Very high193 Ų19355.5 Ų55.590%0.90228%0.281SS*.G310 helixtrans-60.9-23.9179.3-69.1-177.5-7.200112.9L370L370-Q372 VanDerWaalsContact C-N 3.26Å; L370-Q372 PolarHBondContact O-N 2.85Å; L370-Q372 VanDerWaalsContact O-N 3.09Å
373N97.6Very high92.6Very high54 Ų5455.5 Ų55.529%0.28928%0.279SS..G310 helixtrans-81-20.3-175.9-673.1000113.7L314 Q338 E339 L370 V371L314-N373 WeakPolarHBondContact CD2-O 3.5Å; Q338-N373 HydrophobicContact CG-CB 3.75Å; Q338-N373 PolarHBondContact NE2-ND2 2.94Å; Q338-N373 VanDerWaalsContact NE2-ND2 3.1Å; E339-N373 WeakPolarHBondContact O-CB 3.14Å; E339-N373 PolarHBondContact O-ND2 2.81Å; L370-N373 HydrophobicContact CB-CB 4.43Å; L370-N373 VanDerWaalsContact O-CB 3.3Å; L370-N373 WeakPolarHBondContact O-CB 3.48Å; L370-N373 PolarHBondContact O-N 2.79Å; V371-N373 PolarHBondContact O-N 3.46Å; V371-N373 VanDerWaalsContact O-N 3.16Å
374Y97.7Very high93.8Very high0 Ų055 Ų550%028%0.276CS..THydrogen-bonded Turntrans-141.54.6-169.965.9-95.9000115.5V340 P369 L370 V371 G376 C377 V379 L399 T402 A404V340-Y374 HydrophobicContact CB-CD1 3.65Å; V340-Y374 HydrophobicContact CB-CE1 3.93Å; V340-Y374 HydrophobicContact CB-CG 4.41Å; V340-Y374 HydrophobicContact CG1-CD1 3.7Å; V340-Y374 HydrophobicContact CG1-CE1 4.46Å; V340-Y374 HydrophobicContact CG1-CG 4.09Å; P369-Y374 WeakPolarHBondContact CB-OH 3.39Å; L370-Y374 WeakPolarHBondContact O-CD1 3.46Å; L370-Y374 WeakPolarHBondContact O-CE1 3.31Å; V371-Y374 PolarHBondContact O-N 3.46Å; Y374-G376 PolarHBondContact O-N 2.89Å; Y374-C377 VanDerWaalsContact O-CB 3.24Å; Y374-C377 WeakPolarHBondContact O-CB 3.31Å; Y374-C377 PolarHBondContact O-N 2.86Å; Y374-V379 HydrophobicContact CG-CG2 4.49Å; Y374-L399 HydrophobicContact CD1-CD2 4.36Å; Y374-L399 HydrophobicContact CD2-CD2 4.24Å; Y374-L399 HydrophobicContact CE1-CD2 3.84Å; Y374-L399 HydrophobicContact CE2-CD2 3.73Å; Y374-T402 WeakPolarHBondContact OH-CB 3.2Å; Y374-T402 PolarHBondContact OH-OG1 3.36Å; Y374-A404 HydrophobicContact CD2-CB 3.95Å; Y374-A404 HydrophobicContact CE2-CB 4.26Å
375R97.8Very high94.9Very high194 Ų19450 Ų5073%0.73226%0.257SS*.THydrogen-bonded Turntrans-59.1124.9-179.8-173.2174.6-175.7162.11.5110.6V371 C377V371-R375 HydrophobicContact CG1-CB 4.39Å; V371-R375 WeakPolarHBondContact O-CB 3.48Å; V371-R375 PolarHBondContact O-N 2.87Å; V371-R375 VanDerWaalsContact O-N 3.13Å; R375-C377 PolarHBondContact O-N 2.87Å
376G98.1Very high95.9Very high51 Ų5145.1 Ų45.153%0.52623%0.234SC..THydrogen-bonded Turntrans80.7-7.2-17600000114.9Y374 G403 S405Y374-G376 PolarHBondContact O-N 2.89Å; G376-G403 PolarHBondContact N-O 2.83Å; G376-S405 WeakPolarHBondContact O-CB 3.34Å; G376-S405 PolarHBondContact O-OG 2.86Å
377C98.5Very high96.3Very high31 Ų3141.9 Ų41.921%0.20922%0.221CC..  trans-87.3149.3-174.5-60.20000112.4D313 L314 Y374 R375 S405D313-C377 HydrophobicContact CB-CB 4.05Å; D313-C377 WeakPolarHBondContact OD2-CA 3.44Å; L314-C377 HydrophobicContact CD2-CB 3.79Å; L314-C377 HydrophobicContact CG-CB 4.49Å; Y374-C377 VanDerWaalsContact O-CB 3.24Å; Y374-C377 WeakPolarHBondContact O-CB 3.31Å; Y374-C377 PolarHBondContact O-N 2.86Å; R375-C377 PolarHBondContact O-N 2.87Å; C377-S405 PolarHBondContact O-N 2.82Å; C377-S405 PolarHBondContact O-OG 3.02Å; C377-S405 VanDerWaalsContact O-OG 3.08Å
378R98.8Very high96.5Very high74 Ų7445.6 Ų45.628%0.27924%0.235SC..EExtended strand (participates in β ladder)trans-81.2118.2164.3-58173-66.1162.74.2108.1D311 A312 D313 L314 S405 E406D311-R378 PolarHBondContact O-NH1 3.19Å; A312-R378 HydrophobicContact CB-CB 4.18Å; A312-R378 WeakPolarHBondContact CB-O 3.49Å; D313-R378 PolarHBondContact N-O 2.92Å; D313-R378 IonicContact OD1-CZ 3.46Å; D313-R378 IonicContact OD1-NE 3.26Å; D313-R378 PolarHBondContact OD1-NE 3.21Å; D313-R378 IonicContact OD1-NH2 2.78Å; D313-R378 PolarHBondContact OD1-NH2 2.84Å; D313-R378 WeakPolarHBondContact OD2-CB 3.49Å; D313-R378 PolarHBondContact OD2-N 3.37Å; D313-R378 IonicContact OD2-NE 3.38Å; D313-R378 PolarHBondContact OD2-NE 2.87Å; L314-R378 PolarHBondContact N-O 3.04Å; R378-S405 PolarHBondContact N-OG 3Å; R378-E406 HydrophobicContact CB-CB 4.08Å; R378-E406 WeakPolarHBondContact CD-OE1 3.33Å; R378-E406 HydrophobicContact CG-CB 3.94Å; R378-E406 HydrophobicContact CG-CG 4.01Å
379V98.7Very high96.6Very high0 Ų043.2 Ų43.20%022%0.219CC..EExtended strand (participates in β ladder)trans-108.4126.3-171.3178.10000110.2L314 V340 Y374 L399 A404 E406 V407 H408L314-V379 HydrophobicContact CD1-CB 4.26Å; L314-V379 HydrophobicContact CD1-CG1 3.81Å; L314-V379 HydrophobicContact CD1-CG2 3.93Å; L314-V379 HydrophobicContact CD2-CG2 4.44Å; L314-V379 HydrophobicContact CG-CG2 4.19Å; V340-V379 HydrophobicContact CG1-CG1 4.24Å; Y374-V379 HydrophobicContact CG-CG2 4.49Å; V379-L399 HydrophobicContact CG1-CD1 4.46Å; V379-A404 HydrophobicContact CG2-CB 4.12Å; V379-E406 PolarHBondContact N-O 3.04Å; V379-V407 CarbonylContact O-C 3.54Å; V379-V407 WeakPolarHBondContact O-CA 3.31Å; V379-H408 PolarHBondContact O-N 2.88Å
380V98.8Very high96.3Very high0 Ų044.7 Ų44.70%023%0.225CC..EExtended strand (participates in β ladder)trans-88.5116.8161.8-172.20000108.5V310 A312 L314 I315 S316 V382 H408 R410V310-V380 HydrophobicContact CG1-CG2 3.62Å; A312-V380 HydrophobicContact CB-CG2 3.43Å; A312-V380 VanDerWaalsContact CB-CG2 3.43Å; L314-V380 PolarHBondContact O-N 3.44Å; I315-V380 WeakPolarHBondContact CA-O 3.35Å; I315-V380 HydrophobicContact CD1-CB 4.48Å; I315-V380 HydrophobicContact CG1-CB 4.12Å; I315-V380 HydrophobicContact CG1-CG2 4.38Å; I315-V380 HydrophobicContact CG2-CB 4.5Å; S316-V380 PolarHBondContact N-O 2.98Å; V380-V382 HydrophobicContact CG1-CG2 4.23Å; V380-H408 CarbonylContact C-O 3.54Å; V380-H408 WeakPolarHBondContact CA-O 3.5Å; V380-H408 HydrophobicContact CG2-CB 4.44Å; V380-R410 HydrophobicContact CG1-CB 4.11Å; V380-R410 HydrophobicContact CG1-CG 3.58Å
381L98.4Very high96Very high0 Ų045.3 Ų45.30%023%0.231CC..EExtended strand (participates in β ladder)trans-102.2109.8174.1-170.565.8000109.5V318 V340 F341 M392 L399 H408 I409 R410V318-L381 HydrophobicContact CG2-CD1 4.14Å; V318-L381 HydrophobicContact CG2-CD2 3.99Å; V318-L381 HydrophobicContact CG2-CG 4.13Å; V340-L381 HydrophobicContact CG2-CD1 4.33Å; F341-L381 HydrophobicContact CE2-CD1 4.07Å; F341-L381 HydrophobicContact CE2-CD2 4.18Å; L381-M392 HydrophobicContact CD2-CE 4.3Å; L381-M392 HydrophobicContact CD2-SD 3.65Å; L381-L399 HydrophobicContact CD2-CD1 4.14Å; L381-H408 PolarHBondContact N-O 3.3Å; L381-I409 HydrophobicContact CB-CD1 3.85Å; L381-I409 HydrophobicContact CD2-CD1 4.19Å; L381-I409 HydrophobicContact CG-CD1 4.45Å; L381-R410 PolarHBondContact O-N 2.97Å; L381-R410 VanDerWaalsContact O-N 3.07Å
382V98.5Very high95.9Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-88.3137.6176.4-175.70000110I315 S316 T317 V318 A325 A326 F329 V380 R410I315-V382 HydrophobicContact CG2-CG2 3.91Å; S316-V382 PolarHBondContact O-N 2.78Å; T317-V382 VanDerWaalsContact CA-O 3.27Å; T317-V382 WeakPolarHBondContact CA-O 3.22Å; T317-V382 PolarHBondContact OG1-O 3.16Å; V318-V382 PolarHBondContact N-O 2.96Å; A325-V382 HydrophobicContact CB-CG1 4.1Å; A326-V382 HydrophobicContact CB-CB 3.85Å; A326-V382 HydrophobicContact CB-CG1 4.3Å; A326-V382 HydrophobicContact CB-CG2 4.17Å; F329-V382 HydrophobicContact CB-CG2 4.4Å; F329-V382 HydrophobicContact CD2-CG2 4.42Å; F329-V382 HydrophobicContact CG-CG2 4.47Å; V380-V382 HydrophobicContact CG1-CG2 4.23Å; V382-R410 VanDerWaalsContact CA-O 3.23Å; V382-R410 WeakPolarHBondContact CA-O 3.31Å; V382-R410 HydrophobicContact CG2-CB 4.18Å
383D97.1Very high95.7Very high21 Ų2135 Ų3511%0.11218%0.183CC..EExtended strand (participates in β ladder)trans-139.7163.7172.5-152.7-9.5000110.4M392 R410 I411 A412D383-M392 HydrophobicContact CB-CE 3.54Å; D383-M392 WeakPolarHBondContact OD2-CE 3.43Å; D383-R410 PolarHBondContact N-O 3.32Å; D383-I411 HydrophobicContact CB-CD1 3.81Å; D383-I411 WeakPolarHBondContact O-CA 3.46Å; D383-A412 PolarHBondContact O-N 2.87Å
384D95.7Very high95.5Very high9 Ų933.6 Ų33.65%0.04818%0.176CC..SBendtrans-75.5-42.3-177.957.476.1000111.6I263 Y264 S321 A322 A412 S413I263-D384 HydrophobicContact CG2-CB 4.33Å; Y264-D384 WeakPolarHBondContact CD2-OD1 3.33Å; Y264-D384 WeakPolarHBondContact CD2-OD2 3.26Å; S321-D384 WeakPolarHBondContact CB-OD2 3.22Å; S321-D384 PolarHBondContact OG-OD2 2.86Å; A322-D384 HydrophobicContact CB-CB 4.27Å; D384-A412 CarbonylContact O-C 3.09Å; D384-S413 WeakPolarHBondContact O-CB 3.4Å; D384-S413 PolarHBondContact O-N 2.78Å; D384-S413 PolarHBondContact O-OG 2.83Å
385S95.5Very high95.4Very high15 Ų1533.6 Ų33.611%0.10518%0.176CC..  trans-160.7155.5-173.366.70000112.6
386I94.6Very high95.3Very high7 Ų724.4 Ų24.44%0.03614%0.142CC..  trans-121.6118.5169.6-67.8-178.9000109.5M392 I409 I411 L433 L446 Y453I386-M392 HydrophobicContact CD1-CB 4.47Å; I386-M392 HydrophobicContact CD1-CG 4.2Å; I386-I409 HydrophobicContact CD1-CG2 4.23Å; I386-I411 HydrophobicContact CD1-CD1 3.61Å; I386-I411 HydrophobicContact CD1-CG1 3.83Å; I386-I411 HydrophobicContact CG1-CD1 3.65Å; I386-I411 HydrophobicContact CG1-CG1 4.01Å; I386-L433 HydrophobicContact CG2-CD2 3.79Å; I386-L446 HydrophobicContact CD1-CD1 3.78Å; I386-Y453 HydrophobicContact CB-CE1 4.45Å
387V93.1Very high95.2Very high16 Ų1628 Ų2810%0.09714%0.143CC..SBendtrans-94.8-79.3174.8-173.30000111M1 I416 P427 L432 L433M1-V387 HydrophobicContact CB-CG2 4.02Å; M1-V387 HydrophobicContact CE-CG2 3.66Å; V387-I416 HydrophobicContact CG2-CD1 3.8Å; V387-P427 HydrophobicContact CG1-CG 3.81Å; V387-L432 HydrophobicContact CG1-CD2 3.59Å; V387-L433 WeakPolarHBondContact O-CB 3.47Å; V387-L433 PolarHBondContact O-N 3.4Å
388R92.6Very high95Very high90 Ų9027.4 Ų27.434%0.3414%0.138SC..SBendtrans-94-14178.4-61.6-173.3-179.6135.60.3113.4N390 E431R388-N390 PolarHBondContact O-N 2.95Å; R388-N390 VanDerWaalsContact O-N 3.1Å; R388-N390 PolarHBondContact O-OD1 2.87Å; R388-E431 IonicContact CZ-OE1 2.92Å; R388-E431 IonicContact NE-OE1 3.15Å; R388-E431 PolarHBondContact NE-OE1 3.05Å; R388-E431 IonicContact NH2-OE1 3.37Å; R388-E431 PolarHBondContact NH2-OE1 2.87Å; R388-E431 IonicContact NH2-OE2 3.99Å
389G91.8Very high94.9Very high7 Ų723.9 Ų23.97%0.07212%0.124CC..  trans75.6-16.2-178.700000116.9T391 M392 A393G389-T391 VanDerWaalsContact C-N 3.33Å; G389-T391 PolarHBondContact O-N 3.32Å; G389-M392 PolarHBondContact O-N 2.93Å; G389-M392 VanDerWaalsContact O-N 3.1Å; G389-A393 PolarHBondContact O-N 2.86Å
390N89.4Confident94.9Very high75 Ų7527.3 Ų27.340%0.40114%0.139SC..Hα-helixtrans-53.1-44.1-175.5-64.7-11.9000114.1R388 V394R388-N390 PolarHBondContact O-N 2.95Å; R388-N390 VanDerWaalsContact O-N 3.1Å; R388-N390 PolarHBondContact O-OD1 2.87Å; N390-V394 WeakPolarHBondContact O-CG2 3.47Å; N390-V394 PolarHBondContact O-N 3.16Å
391T89Confident94.7Very high66 Ų6633.2 Ų33.241%0.40517%0.167SC..Hα-helixtrans-63.9-48.7178.3-55.90000111.2I363 G389 A393 V394 L395I363-T391 HydrophobicContact CD1-CG2 4.27Å; G389-T391 VanDerWaalsContact C-N 3.33Å; G389-T391 PolarHBondContact O-N 3.32Å; T391-A393 PolarHBondContact O-N 3.34Å; T391-V394 PolarHBondContact O-N 3.03Å; T391-L395 HydrophobicContact CG2-CD1 4.1Å; T391-L395 WeakPolarHBondContact O-CG 3.29Å; T391-L395 PolarHBondContact O-N 2.78Å; T391-L395 VanDerWaalsContact O-N 3.09Å
392M93.9Very high94.6Very high5 Ų535 Ų353%0.02518%0.178CC..Hα-helixtrans-62.1-43.4-178.6-174.656.369.800111.4V318 L381 D383 I386 G389 V394 L395 V396 I409 L446V318-M392 HydrophobicContact CG2-CE 3.89Å; L381-M392 HydrophobicContact CD2-CE 4.3Å; L381-M392 HydrophobicContact CD2-SD 3.65Å; D383-M392 HydrophobicContact CB-CE 3.54Å; D383-M392 WeakPolarHBondContact OD2-CE 3.43Å; I386-M392 HydrophobicContact CD1-CB 4.47Å; I386-M392 HydrophobicContact CD1-CG 4.2Å; G389-M392 PolarHBondContact O-N 2.93Å; G389-M392 VanDerWaalsContact O-N 3.1Å; M392-V394 VanDerWaalsContact C-N 3.28Å; M392-V394 PolarHBondContact O-N 2.99Å; M392-L395 PolarHBondContact O-N 3.4Å; M392-L395 VanDerWaalsContact O-N 3.1Å; M392-V396 HydrophobicContact CG-CG2 4.26Å; M392-V396 WeakPolarHBondContact O-CG2 3.32Å; M392-V396 PolarHBondContact O-N 3.02Å; M392-V396 HydrophobicContact SD-CG2 4.14Å; M392-I409 HydrophobicContact CG-CD1 4.28Å; M392-I409 HydrophobicContact SD-CD1 3.68Å; M392-L446 HydrophobicContact CB-CD2 3.91Å; M392-L446 HydrophobicContact CG-CD1 4.13Å; M392-L446 HydrophobicContact CG-CD2 4Å
393A95Very high94.6Very high21 Ų2136.2 Ų36.217%0.17419%0.19CC..Hα-helixtrans-58.5-38.5176.700000112.6G389 T391 K397 F445 L446G389-A393 PolarHBondContact O-N 2.86Å; T391-A393 PolarHBondContact O-N 3.34Å; A393-K397 WeakPolarHBondContact O-CB 3.3Å; A393-K397 PolarHBondContact O-N 2.68Å; A393-K397 VanDerWaalsContact O-N 3.14Å; A393-F445 HydrophobicContact CB-CE1 4.41Å; A393-L446 HydrophobicContact CB-CD2 4.12Å
394V93.5Very high94.6Very high23 Ų2335.7 Ų35.714%0.13919%0.188CC..Hα-helixtrans-66.9-42.1175.6172.40000111.4K360 I363 N390 T391 M392 L398K360-V394 HydrophobicContact CG-CG2 4.05Å; I363-V394 HydrophobicContact CB-CG1 4.22Å; I363-V394 HydrophobicContact CD1-CB 4.28Å; I363-V394 HydrophobicContact CD1-CG1 4.42Å; I363-V394 HydrophobicContact CD1-CG2 4.23Å; I363-V394 HydrophobicContact CG2-CB 4.4Å; I363-V394 HydrophobicContact CG2-CG1 3.82Å; N390-V394 WeakPolarHBondContact O-CG2 3.47Å; N390-V394 PolarHBondContact O-N 3.16Å; T391-V394 PolarHBondContact O-N 3.03Å; M392-V394 VanDerWaalsContact C-N 3.28Å; M392-V394 PolarHBondContact O-N 2.99Å; V394-L398 WeakPolarHBondContact O-CB 3.14Å; V394-L398 PolarHBondContact O-N 3.38Å
395L94.5Very high94.7Very high0 Ų038.2 Ų38.20%021%0.207CC..Hα-helixtrans-69.4-42.5-179.3-66.5176.4000112.3V318 F341 I363 F367 T391 M392 K397 L398 L399V318-L395 HydrophobicContact CB-CD1 4.37Å; V318-L395 HydrophobicContact CG1-CD1 3.78Å; V318-L395 HydrophobicContact CG2-CD1 3.61Å; F341-L395 HydrophobicContact CE1-CD2 4.04Å; F341-L395 HydrophobicContact CE2-CB 4.27Å; F341-L395 HydrophobicContact CE2-CD2 4.26Å; F341-L395 HydrophobicContact CZ-CB 3.9Å; F341-L395 HydrophobicContact CZ-CD2 3.83Å; F341-L395 HydrophobicContact CZ-CG 4.35Å; I363-L395 HydrophobicContact CG2-CD2 3.99Å; I363-L395 HydrophobicContact CG2-CG 4.42Å; F367-L395 HydrophobicContact CB-CD2 4.02Å; F367-L395 HydrophobicContact CD2-CD2 4.07Å; F367-L395 HydrophobicContact CG-CD2 4.24Å; T391-L395 HydrophobicContact CG2-CD1 4.1Å; T391-L395 WeakPolarHBondContact O-CG 3.29Å; T391-L395 PolarHBondContact O-N 2.78Å; T391-L395 VanDerWaalsContact O-N 3.09Å; M392-L395 PolarHBondContact O-N 3.4Å; M392-L395 VanDerWaalsContact O-N 3.1Å; L395-K397 PolarHBondContact O-N 3.46Å; L395-L398 WeakPolarHBondContact O-CB 3.26Å; L395-L398 PolarHBondContact O-N 2.87Å; L395-L399 PolarHBondContact O-N 2.8Å
396V96.7Very high94.9Very high1 Ų141 Ų411%0.00622%0.218CC..Hα-helixtrans-59.3-48.2174.21730000110.5M392 L398 L399 K400 V407 I409 L446 G447 A448M392-V396 HydrophobicContact CG-CG2 4.26Å; M392-V396 WeakPolarHBondContact O-CG2 3.32Å; M392-V396 PolarHBondContact O-N 3.02Å; M392-V396 HydrophobicContact SD-CG2 4.14Å; V396-L398 VanDerWaalsContact C-N 3.29Å; V396-L398 PolarHBondContact O-N 3.06Å; V396-L399 PolarHBondContact O-N 3.11Å; V396-K400 HydrophobicContact CG1-CD 4.48Å; V396-K400 PolarHBondContact O-N 3.18Å; V396-V407 HydrophobicContact CB-CG1 4.47Å; V396-V407 HydrophobicContact CG1-CB 4.19Å; V396-V407 HydrophobicContact CG1-CG1 4.12Å; V396-V407 HydrophobicContact CG2-CG1 4.02Å; V396-I409 HydrophobicContact CG2-CD1 3.69Å; V396-I409 HydrophobicContact CG2-CG1 4.21Å; V396-L446 WeakPolarHBondContact CB-O 3.24Å; V396-L446 WeakPolarHBondContact CG1-O 3.5Å; V396-G447 WeakPolarHBondContact CG1-O 3.49Å; V396-A448 HydrophobicContact CG1-CB 4.45Å
397K95.8Very high95.1Very high128 Ų12840.7 Ų40.756%0.55722%0.217SC*.Hα-helixtrans-58.8-42.3176.6-177.1172.6-178.6171.40111.6A393 L395 Q401A393-K397 WeakPolarHBondContact O-CB 3.3Å; A393-K397 PolarHBondContact O-N 2.68Å; A393-K397 VanDerWaalsContact O-N 3.14Å; L395-K397 PolarHBondContact O-N 3.46Å; K397-Q401 HydrophobicContact CG-CG 4.26Å; K397-Q401 VanDerWaalsContact O-CB 3.29Å; K397-Q401 WeakPolarHBondContact O-CB 3.36Å; K397-Q401 WeakPolarHBondContact O-CG 3.05Å; K397-Q401 PolarHBondContact O-N 3.18Å
398L94.6Very high95.4Very high18 Ų1840.3 Ų40.39%0.09421%0.214CC..Hα-helixtrans-62.5-45.8178.4-179.660.4000111.9F341 P369 V394 L395 V396 Q401 T402F341-L398 HydrophobicContact CE1-CD2 4.05Å; P369-L398 HydrophobicContact CG-CD1 4.29Å; P369-L398 HydrophobicContact CG-CD2 4.46Å; P369-L398 HydrophobicContact CG-CG 4.42Å; V394-L398 WeakPolarHBondContact O-CB 3.14Å; V394-L398 PolarHBondContact O-N 3.38Å; L395-L398 WeakPolarHBondContact O-CB 3.26Å; L395-L398 PolarHBondContact O-N 2.87Å; V396-L398 VanDerWaalsContact C-N 3.29Å; V396-L398 PolarHBondContact O-N 3.06Å; L398-Q401 PolarHBondContact O-N 3.46Å; L398-T402 HydrophobicContact CD1-CG2 4.09Å; L398-T402 WeakPolarHBondContact O-CB 3.48Å; L398-T402 WeakPolarHBondContact O-CG2 3.49Å; L398-T402 PolarHBondContact O-N 2.63Å; L398-T402 VanDerWaalsContact O-N 3.1Å; L398-T402 PolarHBondContact O-OG1 2.7Å
399L96.6Very high95.6Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-60.6-48.6177.2-73.5173.2000111.9V340 F341 Y374 V379 L381 L395 V396 Q401 T402 G403 A404 V407V340-L399 HydrophobicContact CB-CD2 3.92Å; V340-L399 HydrophobicContact CG2-CD1 4.27Å; V340-L399 HydrophobicContact CG2-CD2 3.8Å; F341-L399 HydrophobicContact CE1-CD2 3.98Å; F341-L399 HydrophobicContact CE1-CG 4.14Å; F341-L399 HydrophobicContact CE2-CD1 4.06Å; F341-L399 HydrophobicContact CE2-CD2 4.38Å; F341-L399 HydrophobicContact CE2-CG 4.28Å; F341-L399 HydrophobicContact CZ-CD1 3.79Å; F341-L399 HydrophobicContact CZ-CD2 3.75Å; F341-L399 HydrophobicContact CZ-CG 3.55Å; Y374-L399 HydrophobicContact CD1-CD2 4.36Å; Y374-L399 HydrophobicContact CD2-CD2 4.24Å; Y374-L399 HydrophobicContact CE1-CD2 3.84Å; Y374-L399 HydrophobicContact CE2-CD2 3.73Å; V379-L399 HydrophobicContact CG1-CD1 4.46Å; L381-L399 HydrophobicContact CD2-CD1 4.14Å; L395-L399 PolarHBondContact O-N 2.8Å; V396-L399 PolarHBondContact O-N 3.11Å; L399-Q401 PolarHBondContact O-N 2.81Å; L399-T402 PolarHBondContact O-N 2.83Å; L399-T402 PolarHBondContact O-OG1 2.82Å; L399-T402 VanDerWaalsContact O-OG1 3.14Å; L399-G403 PolarHBondContact O-N 3.25Å; L399-G403 VanDerWaalsContact O-N 3.09Å; L399-A404 HydrophobicContact CB-CB 4.1Å; L399-A404 WeakPolarHBondContact O-CB 3.09Å; L399-A404 PolarHBondContact O-N 3.19Å; L399-V407 HydrophobicContact CB-CG2 4Å; L399-V407 HydrophobicContact CD1-CG1 4.29Å; L399-V407 HydrophobicContact CD1-CG2 4.46Å
400K97.4Very high96Very high71 Ų7136.2 Ų36.231%0.30920%0.196SC..Hα-helixtrans-61.1-45.8177.9-71.1-169.1168.2-170.80111.9V396 T402 G403 V407 G447 D449V396-K400 HydrophobicContact CG1-CD 4.48Å; V396-K400 PolarHBondContact O-N 3.18Å; K400-T402 PolarHBondContact O-N 3.05Å; K400-G403 PolarHBondContact O-N 3.07Å; K400-V407 HydrophobicContact CG-CG2 3.76Å; K400-G447 WeakPolarHBondContact CE-O 3.46Å; K400-G447 PolarHBondContact NZ-O 3.24Å; K400-D449 WeakPolarHBondContact CE-OD2 3.43Å; K400-D449 VanDerWaalsContact NZ-CG 3.27Å; K400-D449 IonicContact NZ-OD1 2.88Å; K400-D449 PolarHBondContact NZ-OD1 3.13Å; K400-D449 IonicContact NZ-OD2 3.55Å; K400-D449 PolarHBondContact NZ-OD2 3.45Å
401Q96.2Very high96.4Very high125 Ų12532.7 Ų32.758%0.58418%0.177SC*.Hα-helixtrans-64.2-24.5179.4-75.9-176.8-30.800114K397 L398 L399K397-Q401 HydrophobicContact CG-CG 4.26Å; K397-Q401 VanDerWaalsContact O-CB 3.29Å; K397-Q401 WeakPolarHBondContact O-CB 3.36Å; K397-Q401 WeakPolarHBondContact O-CG 3.05Å; K397-Q401 PolarHBondContact O-N 3.18Å; L398-Q401 PolarHBondContact O-N 3.46Å; L399-Q401 PolarHBondContact O-N 2.81Å
402T95.8Very high96.8Very high38 Ų3829.9 Ų29.923%0.23316%0.161CC..Hα-helixtrans-101.8-0.6-177.951.80000113.2P369 V371 Y374 L398 L399 K400P369-T402 HydrophobicContact CB-CG2 4.48Å; P369-T402 HydrophobicContact CG-CG2 4.2Å; V371-T402 VanDerWaalsContact CG1-O 3.3Å; V371-T402 WeakPolarHBondContact CG1-O 3.24Å; V371-T402 HydrophobicContact CG2-CG2 4.38Å; Y374-T402 WeakPolarHBondContact OH-CB 3.2Å; Y374-T402 PolarHBondContact OH-OG1 3.36Å; L398-T402 HydrophobicContact CD1-CG2 4.09Å; L398-T402 WeakPolarHBondContact O-CB 3.48Å; L398-T402 WeakPolarHBondContact O-CG2 3.49Å; L398-T402 PolarHBondContact O-N 2.63Å; L398-T402 VanDerWaalsContact O-N 3.1Å; L398-T402 PolarHBondContact O-OG1 2.7Å; L399-T402 PolarHBondContact O-N 2.83Å; L399-T402 PolarHBondContact O-OG1 2.82Å; L399-T402 VanDerWaalsContact O-OG1 3.14Å; K400-T402 PolarHBondContact O-N 3.05Å
403G96.9Very high97Very high25 Ų2529.7 Ų29.726%0.25816%0.16SC..THydrogen-bonded Turntrans1267.7163.300000116.8G376 L399 K400G376-G403 PolarHBondContact N-O 2.83Å; L399-G403 PolarHBondContact O-N 3.25Å; L399-G403 VanDerWaalsContact O-N 3.09Å; K400-G403 PolarHBondContact O-N 3.07Å
404A98.3Very high97.1Very high9 Ų928.7 Ų28.77%0.07415%0.152CC..  trans-65133.7168.500000110.1Y374 V379 L399 V407Y374-A404 HydrophobicContact CD2-CB 3.95Å; Y374-A404 HydrophobicContact CE2-CB 4.26Å; V379-A404 HydrophobicContact CG2-CB 4.12Å; L399-A404 HydrophobicContact CB-CB 4.1Å; L399-A404 WeakPolarHBondContact O-CB 3.09Å; L399-A404 PolarHBondContact O-N 3.19Å; A404-V407 HydrophobicContact CB-CG2 3.95Å
405S98.3Very high97.3Very high63 Ų6328.7 Ų28.744%0.44115%0.152SC..SBendtrans-76.6-43.2178.6520000111.5G376 C377 R378G376-S405 WeakPolarHBondContact O-CB 3.34Å; G376-S405 PolarHBondContact O-OG 2.86Å; C377-S405 PolarHBondContact O-N 2.82Å; C377-S405 PolarHBondContact O-OG 3.02Å; C377-S405 VanDerWaalsContact O-OG 3.08Å; R378-S405 PolarHBondContact N-OG 3Å
406E98.7Very high97.5Very high73 Ų7328.7 Ų28.734%0.34115%0.152SC..EExtended strand (participates in β ladder)trans-135.5152.1174.2-60.8177.2-138.300110.4R378 V379 H408 D449R378-E406 HydrophobicContact CB-CB 4.08Å; R378-E406 WeakPolarHBondContact CD-OE1 3.33Å; R378-E406 HydrophobicContact CG-CB 3.94Å; R378-E406 HydrophobicContact CG-CG 4.01Å; V379-E406 PolarHBondContact N-O 3.04Å; E406-H408 IonicContact OE2-CE1 3.07Å; E406-H408 PolarHBondContact OE2-CE1 2.77Å; E406-H408 IonicContact OE2-NE2 3.17Å; E406-H408 PolarHBondContact OE2-NE2 2.88Å; E406-D449 WeakPolarHBondContact CA-OD2 3.46Å; E406-D449 HydrophobicContact CB-CB 4.34Å
407V98.6Very high97.4Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-132.8111.1174.8-175.60000109.4V379 V396 L399 K400 A404 I409 D449V379-V407 CarbonylContact O-C 3.54Å; V379-V407 WeakPolarHBondContact O-CA 3.31Å; V396-V407 HydrophobicContact CB-CG1 4.47Å; V396-V407 HydrophobicContact CG1-CB 4.19Å; V396-V407 HydrophobicContact CG1-CG1 4.12Å; V396-V407 HydrophobicContact CG2-CG1 4.02Å; L399-V407 HydrophobicContact CB-CG2 4Å; L399-V407 HydrophobicContact CD1-CG1 4.29Å; L399-V407 HydrophobicContact CD1-CG2 4.46Å; K400-V407 HydrophobicContact CG-CG2 3.76Å; A404-V407 HydrophobicContact CB-CG2 3.95Å; V407-I409 HydrophobicContact CG1-CD1 4.06Å; V407-D449 PolarHBondContact N-OD2 3.12Å; V407-D449 PolarHBondContact O-N 2.96Å
408H98.7Very high97.4Very high8 Ų828.6 Ų28.64%0.03715%0.149CC..EExtended strand (participates in β ladder)trans-104.1123.3178.4-51.2-86.3000110V310 V379 V380 L381 E406 S450V310-H408 HydrophobicContact CG1-CB 4.2Å; V310-H408 HydrophobicContact CG2-CB 4.34Å; V310-H408 WeakPolarHBondContact CG2-ND1 3.46Å; V379-H408 PolarHBondContact O-N 2.88Å; V380-H408 CarbonylContact C-O 3.54Å; V380-H408 WeakPolarHBondContact CA-O 3.5Å; V380-H408 HydrophobicContact CG2-CB 4.44Å; L381-H408 PolarHBondContact N-O 3.3Å; E406-H408 IonicContact OE2-CE1 3.07Å; E406-H408 PolarHBondContact OE2-CE1 2.77Å; E406-H408 IonicContact OE2-NE2 3.17Å; E406-H408 PolarHBondContact OE2-NE2 2.88Å; H408-S450 VanDerWaalsContact CB-OG 3.31Å; H408-S450 WeakPolarHBondContact CB-OG 3.39Å; H408-S450 PolarHBondContact ND1-OG 3.42Å
409I98.6Very high97.3Very high0 Ų028.7 Ų28.70%015%0.151CC..EExtended strand (participates in β ladder)trans-92.4134.6179.6-57.7-52.4000110.4L381 I386 M392 V396 V407 I411 L446 A448 S450 V451 A452L381-I409 HydrophobicContact CB-CD1 3.85Å; L381-I409 HydrophobicContact CD2-CD1 4.19Å; L381-I409 HydrophobicContact CG-CD1 4.45Å; I386-I409 HydrophobicContact CD1-CG2 4.23Å; M392-I409 HydrophobicContact CG-CD1 4.28Å; M392-I409 HydrophobicContact SD-CD1 3.68Å; V396-I409 HydrophobicContact CG2-CD1 3.69Å; V396-I409 HydrophobicContact CG2-CG1 4.21Å; V407-I409 HydrophobicContact CG1-CD1 4.06Å; I409-I411 HydrophobicContact CG2-CD1 3.48Å; I409-I411 VanDerWaalsContact CG2-CD1 3.48Å; I409-I411 HydrophobicContact CG2-CG1 3.91Å; I409-L446 HydrophobicContact CG1-CD1 4.43Å; I409-A448 HydrophobicContact CG1-CB 3.74Å; I409-S450 PolarHBondContact N-O 3.4Å; I409-V451 HydrophobicContact CB-CB 4.43Å; I409-V451 HydrophobicContact CB-CG1 4.22Å; I409-V451 HydrophobicContact CB-CG2 4.11Å; I409-V451 HydrophobicContact CG1-CG2 4.42Å; I409-V451 HydrophobicContact CG2-CG1 4.24Å; I409-V451 WeakPolarHBondContact O-CA 3.28Å; I409-A452 PolarHBondContact O-N 3.07Å
410R98.6Very high97.1Very high12 Ų1229.3 Ų29.35%0.04516%0.155CC..EExtended strand (participates in β ladder)trans-132.4117.6175.6-69.5-62.6-178.8-85.77.6109.5L304 A308 P309 V310 F329 V380 L381 V382 D383 S450 A452L304-R410 HydrophobicContact CD2-CB 3.81Å; L304-R410 HydrophobicContact CG-CB 4.34Å; A308-R410 PolarHBondContact O-NE 3.04Å; A308-R410 PolarHBondContact O-NH2 2.69Å; P309-R410 PolarHBondContact O-NH2 2.96Å; V310-R410 VanDerWaalsContact CB-NH2 3.33Å; F329-R410 HydrophobicContact CD2-CB 4.44Å; F329-R410 HydrophobicContact CE2-CB 4.02Å; F329-R410 HydrophobicContact CE2-CG 3.65Å; F329-R410 HydrophobicContact CZ-CG 4.02Å; V380-R410 HydrophobicContact CG1-CB 4.11Å; V380-R410 HydrophobicContact CG1-CG 3.58Å; L381-R410 PolarHBondContact O-N 2.97Å; L381-R410 VanDerWaalsContact O-N 3.07Å; V382-R410 VanDerWaalsContact CA-O 3.23Å; V382-R410 WeakPolarHBondContact CA-O 3.31Å; V382-R410 HydrophobicContact CG2-CB 4.18Å; D383-R410 PolarHBondContact N-O 3.32Å; R410-S450 PolarHBondContact NH1-OG 3.07Å; R410-A452 WeakPolarHBondContact CA-O 3.26Å
411I98.5Very high96.6Very high0 Ų028.3 Ų28.30%015%0.151CC..EExtended strand (participates in β ladder)trans-106.4122-175.1-53.7-55.5000109.9D383 I386 I409 S413 A452 Y453 L454D383-I411 HydrophobicContact CB-CD1 3.81Å; D383-I411 WeakPolarHBondContact O-CA 3.46Å; I386-I411 HydrophobicContact CD1-CD1 3.61Å; I386-I411 HydrophobicContact CD1-CG1 3.83Å; I386-I411 HydrophobicContact CG1-CD1 3.65Å; I386-I411 HydrophobicContact CG1-CG1 4.01Å; I409-I411 HydrophobicContact CG2-CD1 3.48Å; I409-I411 VanDerWaalsContact CG2-CD1 3.48Å; I409-I411 HydrophobicContact CG2-CG1 3.91Å; I411-S413 PolarHBondContact O-N 2.83Å; I411-A452 PolarHBondContact N-O 3.02Å; I411-Y453 HydrophobicContact CB-CD1 3.54Å; I411-Y453 HydrophobicContact CB-CE1 3.84Å; I411-Y453 HydrophobicContact CB-CG 4.22Å; I411-Y453 HydrophobicContact CG1-CD1 3.95Å; I411-Y453 HydrophobicContact CG1-CE1 3.76Å; I411-Y453 HydrophobicContact CG2-CD1 3.74Å; I411-Y453 HydrophobicContact CG2-CE1 3.91Å; I411-L454 PolarHBondContact O-N 2.86Å
412A97.9Very high96.3Very high8 Ų822.5 Ų22.57%0.06612%0.124CC..SBendtrans-77.225.3-179.100000113.7L304 A325 D383 D384L304-A412 HydrophobicContact CD2-CB 4.35Å; A325-A412 HydrophobicContact CB-CB 3.67Å; D383-A412 PolarHBondContact O-N 2.87Å; D384-A412 CarbonylContact O-C 3.09Å
413S97.7Very high95.7Very high0 Ų020.8 Ų20.80%011%0.114CC..SBendtrans-144.1160.9170.9800000110.2D384 I411 Y453 L454D384-S413 WeakPolarHBondContact O-CB 3.4Å; D384-S413 PolarHBondContact O-N 2.78Å; D384-S413 PolarHBondContact O-OG 2.83Å; I411-S413 PolarHBondContact O-N 2.83Å; S413-Y453 WeakPolarHBondContact O-CD1 3.13Å; S413-L454 PolarHBondContact O-N 3.26Å
414P98.2Very high95.1Very high1 Ų119.7 Ų19.71%0.00610%0.102CC..  trans-63.1164.4164.3-21.632.9000112.6I416 L454 I456 L459 F480P414-I416 PolarHBondContact O-N 3.26Å; P414-L454 VanDerWaalsContact CA-O 3.24Å; P414-L454 WeakPolarHBondContact CA-O 3.43Å; P414-I456 HydrophobicContact CB-CG1 3.62Å; P414-I456 HydrophobicContact CG-CB 4.24Å; P414-I456 HydrophobicContact CG-CG1 3.62Å; P414-L459 VanDerWaalsContact CD-CD2 3.5Å; P414-L459 HydrophobicContact CG-CB 4.39Å; P414-L459 HydrophobicContact CG-CD2 4.02Å; P414-F480 HydrophobicContact CB-CB 4.19Å; P414-F480 HydrophobicContact CB-CD1 3.88Å; P414-F480 HydrophobicContact CB-CD2 4.12Å; P414-F480 HydrophobicContact CB-CE1 4.27Å; P414-F480 HydrophobicContact CB-CG 3.8Å; P414-F480 HydrophobicContact CG-CD1 4.49Å; P414-F480 HydrophobicContact CG-CD2 3.97Å; P414-F480 HydrophobicContact CG-CE2 4.1Å; P414-F480 HydrophobicContact CG-CG 4.18Å; P414-F480 HydrophobicContact CG-CZ 4.43Å; P414-F480 WeakPolarHBondContact O-CE1 3.19Å
415P97.6Very high94.4Very high23 Ų2321.2 Ų21.215%0.14911%0.109CC..  trans-66.3128.5176.3-14.227.1000111.7R417 A434 Y453P415-R417 HydrophobicContact CB-CG 4.48Å; P415-R417 PolarHBondContact O-N 3.36Å; P415-A434 HydrophobicContact CB-CB 3.52Å; P415-Y453 HydrophobicContact CB-CD1 4.3Å; P415-Y453 HydrophobicContact CB-CE1 4.33Å; P415-Y453 HydrophobicContact CG-CD1 4Å; P415-Y453 HydrophobicContact CG-CD2 4.03Å; P415-Y453 HydrophobicContact CG-CE1 4.44Å; P415-Y453 HydrophobicContact CG-CE2 4.46Å; P415-Y453 HydrophobicContact CG-CG 3.79Å
416I97.2Very high93.9Very high0 Ų018.8 Ų18.80%09%0.091CC..  trans-79.6115.4177-53.9158.2000108.9M1 F260 V387 P414 I426 L432 C479 F480M1-I416 HydrophobicContact CE-CD1 3.35Å; M1-I416 HydrophobicContact CE-CG1 4.38Å; F260-I416 HydrophobicContact CE2-CD1 4.46Å; F260-I416 HydrophobicContact CE2-CG1 4.24Å; F260-I416 HydrophobicContact CZ-CD1 3.73Å; F260-I416 HydrophobicContact CZ-CG1 3.93Å; V387-I416 HydrophobicContact CG2-CD1 3.8Å; P414-I416 PolarHBondContact O-N 3.26Å; I416-I426 HydrophobicContact CG2-CD1 4.09Å; I416-I426 HydrophobicContact CG2-CG2 4.08Å; I416-L432 HydrophobicContact CG2-CD1 4.16Å; I416-L432 HydrophobicContact CG2-CD2 4.23Å; I416-C479 HydrophobicContact CG2-CB 4.36Å; I416-F480 HydrophobicContact CG1-CD1 4.34Å; I416-F480 HydrophobicContact CG1-CE1 3.87Å
417R96.2Very high93.4Very high114 Ų11416 Ų1643%0.438%0.08SC..  trans-122.2-8.1-174.6-64.6-169.2174.9119.6-4.4114.2P415 R429 L432 A434 C479P415-R417 HydrophobicContact CB-CG 4.48Å; P415-R417 PolarHBondContact O-N 3.36Å; R417-R429 WeakPolarHBondContact O-CG 3.45Å; R417-R429 PolarHBondContact O-NE 3.42Å; R417-L432 VanDerWaalsContact C-CD1 3.49Å; R417-A434 HydrophobicContact CG-CB 4.14Å; R417-A434 WeakPolarHBondContact CG-O 3.13Å; R417-A434 PolarHBondContact NE-O 3.14Å; R417-A434 VanDerWaalsContact NE-O 3.17Å; R417-C479 PolarHBondContact N-O 3.26Å
418N95.4Very high92.9Very high12 Ų1219.4 Ų19.46%0.06410%0.101CC..SBendtrans-135.9147.7-177.8-49.8-77.3000109.8R429 A478 C479 F480 G482N418-R429 PolarHBondContact OD1-NE 3.1Å; N418-R429 PolarHBondContact OD1-NH2 2.92Å; N418-A478 WeakPolarHBondContact CB-O 3.37Å; N418-A478 PolarHBondContact ND2-O 3.41Å; N418-C479 PolarHBondContact N-O 2.97Å; N418-F480 PolarHBondContact ND2-O 3.12Å; N418-G482 WeakPolarHBondContact ND2-CA 3.31Å; N418-G482 PolarHBondContact ND2-N 3.39Å
419P92.7Very high92.6Very high21 Ų2123.8 Ų23.814%0.13612%0.117CC..  trans-62.5168.517327.3-35000111.7H421 Y484P419-H421 WeakPolarHBondContact CG-NE2 3.45Å; P419-Y484 PolarHBondContact O-OH 3.03Å
420C91.1Very high92.3Very high12 Ų1229.4 Ų29.48%0.08114%0.143CC..  trans-107.8138.6168.7-175.50000108.6F422 I424 I426C420-F422 PolarHBondContact SG-N 3.39Å; C420-F422 VanDerWaalsContact SG-N 3.41Å; C420-I424 HydrophobicContact CB-CB 3.89Å; C420-I424 HydrophobicContact CB-CG2 4.35Å; C420-I424 WeakPolarHBondContact CB-O 3.46Å; C420-I426 HydrophobicContact CB-CB 4.3Å; C420-I426 HydrophobicContact CB-CD1 3.84Å; C420-I426 HydrophobicContact CB-CG1 3.8Å
421H88.3Confident92Very high50 Ų5032.3 Ų32.323%0.23116%0.157CC..SBendtrans-115.418178-60.9-85.4000111.9P419 Y484 I488P419-H421 WeakPolarHBondContact CG-NE2 3.45Å; H421-Y484 AromaticContact CD2-CE1 3.65Å; H421-Y484 AromaticContact CD2-CZ 3.69Å; H421-Y484 PolarHBondContact CD2-OH 3.33Å; H421-I488 HydrophobicContact CB-CD1 4Å; H421-I488 VanDerWaalsContact CD2-CD1 3.43Å; H421-I488 WeakPolarHBondContact CD2-CD1 3.29Å
422F88.9Confident91.8Very high3 Ų332.3 Ų32.31%0.01316%0.157CC..SBendtrans-125.729.9-169.1-55.5-34.5000112A167 S168 R189 C420 Y484 P485 V486A167-F422 HydrophobicContact CB-CD1 3.48Å; A167-F422 VanDerWaalsContact CB-CD1 3.48Å; A167-F422 HydrophobicContact CB-CE1 3.51Å; S168-F422 PolarHBondContact OG-O 3.25Å; R189-F422 PolarHBondContact NE-O 2.91Å; R189-F422 PolarHBondContact NH2-O 3.19Å; C420-F422 PolarHBondContact SG-N 3.39Å; C420-F422 VanDerWaalsContact SG-N 3.41Å; F422-Y484 AromaticContact CE2-CD1 3.71Å; F422-Y484 HydrophobicContact CE2-CD1 3.71Å; F422-Y484 AromaticContact CZ-CD1 3.76Å; F422-Y484 HydrophobicContact CZ-CD1 3.76Å; F422-Y484 HydrophobicContact CZ-CG 4.41Å; F422-P485 HydrophobicContact CE2-CG 3.79Å; F422-P485 HydrophobicContact CZ-CG 3.81Å; F422-V486 HydrophobicContact CE1-CG2 3.7Å; F422-V486 HydrophobicContact CZ-CG2 3.91Å
423G84Confident91.7Very high2 Ų232.1 Ų32.12%0.02116%0.155CC..SBendtrans92.29.8174.800000115.8A4 T86 E115A4-G423 WeakPolarHBondContact CB-O 3.47Å; T86-G423 WeakPolarHBondContact CG2-O 3.35Å; E115-G423 VanDerWaalsContact CB-N 3.31Å; E115-G423 PolarHBondContact OE2-N 3.06Å
424I84.7Confident91.6Very high2 Ų232.4 Ų32.41%0.0116%0.157CC..  trans-104.1128167-69.2175.8000109M1 C258 F260 F265 C420 I426M1-I424 HydrophobicContact CG-CG2 3.93Å; M1-I424 HydrophobicContact SD-CG2 3.82Å; C258-I424 WeakPolarHBondContact SG-CD1 3.45Å; F260-I424 HydrophobicContact CB-CD1 3.48Å; F260-I424 VanDerWaalsContact CB-CD1 3.48Å; F260-I424 HydrophobicContact CG-CD1 4.21Å; F265-I424 HydrophobicContact CD2-CD1 4Å; F265-I424 HydrophobicContact CD2-CG1 4.42Å; F265-I424 HydrophobicContact CE1-CG1 4.22Å; F265-I424 HydrophobicContact CE2-CB 4.4Å; F265-I424 HydrophobicContact CE2-CD1 3.72Å; F265-I424 HydrophobicContact CE2-CG1 3.88Å; F265-I424 HydrophobicContact CE2-CG2 3.66Å; F265-I424 HydrophobicContact CZ-CB 4.18Å; F265-I424 HydrophobicContact CZ-CD1 4.2Å; F265-I424 HydrophobicContact CZ-CG1 3.82Å; F265-I424 HydrophobicContact CZ-CG2 3.55Å; C420-I424 HydrophobicContact CB-CB 3.89Å; C420-I424 HydrophobicContact CB-CG2 4.35Å; C420-I424 WeakPolarHBondContact CB-O 3.46Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 HydrophobicContact CB-CG1 4.47Å; I424-I426 HydrophobicContact CG2-CD1 4.17Å; I424-I426 HydrophobicContact CG2-CG1 3.53Å; I424-I426 PolarHBondContact O-N 3.28Å
425N83.6Confident91.5Very high41 Ų4137 Ų3722%0.21918%0.175CC..BIsolated β-bridgetrans-76.682.4174.3-169.9-14.6000111H2 Y84 T86H2-N425 HydrophobicContact CB-CB 4.41Å; Y84-N425 HydrophobicContact CE1-CB 4.09Å; T86-N425 HydrophobicContact CG2-CB 4.23Å
426I87.3Confident91.3Very high12 Ų1241.1 Ų41.16%0.06219%0.192CC..PPolyproline II helixtrans-94.1131.4164.2-54.2-165000107.7M1 I416 C420 I424 L432 C479M1-I426 HydrophobicContact CE-CD1 3.73Å; M1-I426 HydrophobicContact CE-CG1 3.91Å; M1-I426 HydrophobicContact CG-CG1 4.42Å; M1-I426 HydrophobicContact SD-CD1 4.3Å; M1-I426 HydrophobicContact SD-CG1 4.21Å; I416-I426 HydrophobicContact CG2-CD1 4.09Å; I416-I426 HydrophobicContact CG2-CG2 4.08Å; C420-I426 HydrophobicContact CB-CB 4.3Å; C420-I426 HydrophobicContact CB-CD1 3.84Å; C420-I426 HydrophobicContact CB-CG1 3.8Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 HydrophobicContact CB-CG1 4.47Å; I424-I426 HydrophobicContact CG2-CD1 4.17Å; I424-I426 HydrophobicContact CG2-CG1 3.53Å; I424-I426 PolarHBondContact O-N 3.28Å; I426-L432 HydrophobicContact CG2-CD1 4.22Å; I426-L432 HydrophobicContact CG2-CD2 3.73Å; I426-C479 HydrophobicContact CD1-CB 3.89Å; I426-C479 WeakPolarHBondContact CD1-SG 3.46Å
427P87Confident91.2Very high15 Ų1544.4 Ų44.410%0.09721%0.207CC..PPolyproline II helixtrans-56172.5176.3-25.535.2000114V387 E431V387-P427 HydrophobicContact CG1-CG 3.81Å; P427-E431 HydrophobicContact CB-CB 3.73Å; P427-E431 HydrophobicContact CB-CG 4.37Å; P427-E431 WeakPolarHBondContact CB-OE2 3.33Å
428T89.5Confident91.2Very high72 Ų7241.8 Ų41.844%0.44221%0.206SC..PPolyproline II helixtrans-62.1159.8175.982.40000110.8E430 E431T428-E430 WeakPolarHBondContact CB-OE2 3.43Å; T428-E430 PolarHBondContact O-N 3.14Å; T428-E430 PolarHBondContact OG1-OE2 2.89Å; T428-E431 PolarHBondContact N-OE2 2.99Å; T428-E431 WeakPolarHBondContact O-CB 3.48Å; T428-E431 PolarHBondContact O-N 2.96Å
429R91.1Very high91.2Very high100 Ų10045.7 Ų45.738%0.37723%0.226SC..G310 helixtrans-55.9-40.5-175.8-152.5-177.6-168-166.45.6111.6R417 N418 E431 L432 Y435R417-R429 WeakPolarHBondContact O-CG 3.45Å; R417-R429 PolarHBondContact O-NE 3.42Å; N418-R429 PolarHBondContact OD1-NE 3.1Å; N418-R429 PolarHBondContact OD1-NH2 2.92Å; R429-E431 PolarHBondContact O-N 3.48Å; R429-L432 WeakPolarHBondContact O-CB 3.48Å; R429-L432 PolarHBondContact O-N 3.23Å; R429-L432 VanDerWaalsContact O-N 3.1Å; R429-Y435 HydrophobicContact CB-CD1 4.32Å; R429-Y435 HydrophobicContact CB-CE1 4.27Å; R429-Y435 VanDerWaalsContact CD-CE2 3.4Å; R429-Y435 VanDerWaalsContact CD-CZ 3.44Å; R429-Y435 HydrophobicContact CG-CD1 3.76Å; R429-Y435 HydrophobicContact CG-CD2 3.68Å; R429-Y435 HydrophobicContact CG-CE1 3.81Å; R429-Y435 HydrophobicContact CG-CE2 3.8Å; R429-Y435 HydrophobicContact CG-CG 3.66Å; R429-Y435 PolarHBondContact NH1-OH 3.39Å; R429-Y435 WeakPolarHBondContact O-CB 3.46Å; R429-Y435 WeakPolarHBondContact O-CD1 3.26Å
430E92.6Very high91.5Very high117 Ų11747.7 Ų47.755%0.54725%0.245SC..G310 helixtrans-66.6-19.8-179.5-57.967.2-140.100112.4T428 Q436T428-E430 WeakPolarHBondContact CB-OE2 3.43Å; T428-E430 PolarHBondContact O-N 3.14Å; T428-E430 PolarHBondContact OG1-OE2 2.89Å; E430-Q436 WeakPolarHBondContact O-CG 3.33Å; E430-Q436 PolarHBondContact O-NE2 2.84Å
431E91.7Very high91.8Very high73 Ų7351.1 Ų51.134%0.34126%0.262SS..G310 helixtrans-90.7-10.5176.2-63.9-176.771.400113.1R388 P427 T428 R429R388-E431 IonicContact CZ-OE1 2.92Å; R388-E431 IonicContact NE-OE1 3.15Å; R388-E431 PolarHBondContact NE-OE1 3.05Å; R388-E431 IonicContact NH2-OE1 3.37Å; R388-E431 PolarHBondContact NH2-OE1 2.87Å; R388-E431 IonicContact NH2-OE2 3.99Å; P427-E431 HydrophobicContact CB-CB 3.73Å; P427-E431 HydrophobicContact CB-CG 4.37Å; P427-E431 WeakPolarHBondContact CB-OE2 3.33Å; T428-E431 PolarHBondContact N-OE2 2.99Å; T428-E431 WeakPolarHBondContact O-CB 3.48Å; T428-E431 PolarHBondContact O-N 2.96Å; R429-E431 PolarHBondContact O-N 3.48Å
432L94.6Very high92.2Very high0 Ų048.9 Ų48.90%025%0.252CS..  trans-81.5124.8-177-61.8176.6000111.4V387 I416 R417 I426 R429 A434 Y435 Q436V387-L432 HydrophobicContact CG1-CD2 3.59Å; I416-L432 HydrophobicContact CG2-CD1 4.16Å; I416-L432 HydrophobicContact CG2-CD2 4.23Å; R417-L432 VanDerWaalsContact C-CD1 3.49Å; I426-L432 HydrophobicContact CG2-CD1 4.22Å; I426-L432 HydrophobicContact CG2-CD2 3.73Å; R429-L432 WeakPolarHBondContact O-CB 3.48Å; R429-L432 PolarHBondContact O-N 3.23Å; R429-L432 VanDerWaalsContact O-N 3.1Å; L432-A434 PolarHBondContact O-N 3.34Å; L432-Y435 WeakPolarHBondContact O-CB 3.19Å; L432-Y435 PolarHBondContact O-N 3.42Å; L432-Y435 VanDerWaalsContact O-N 3.14Å; L432-Q436 WeakPolarHBondContact O-CG 3.47Å; L432-Q436 PolarHBondContact O-N 3.49Å; L432-Q436 VanDerWaalsContact O-N 3.1Å
433L95.9Very high92.6Very high5 Ų553 Ų533%0.02627%0.27CS..Hα-helixtrans-59.5-46.2-176.4-174.272.7000111.7I386 V387 Y435 Q436 K437 I442 F445I386-L433 HydrophobicContact CG2-CD2 3.79Å; V387-L433 WeakPolarHBondContact O-CB 3.47Å; V387-L433 PolarHBondContact O-N 3.4Å; L433-Y435 PolarHBondContact O-N 3.3Å; L433-Q436 PolarHBondContact O-N 3.31Å; L433-K437 HydrophobicContact CD1-CD 3.76Å; L433-K437 HydrophobicContact CD1-CG 4.38Å; L433-K437 WeakPolarHBondContact O-CB 3.41Å; L433-K437 PolarHBondContact O-N 2.86Å; L433-I442 HydrophobicContact CD2-CB 4.48Å; L433-I442 HydrophobicContact CD2-CG1 4.08Å; L433-I442 HydrophobicContact CD2-CG2 3.93Å; L433-I442 HydrophobicContact CG-CG1 4.05Å; L433-F445 HydrophobicContact CD1-CD1 3.61Å; L433-F445 HydrophobicContact CD1-CD2 4.46Å; L433-F445 HydrophobicContact CD1-CE1 3.79Å; L433-F445 HydrophobicContact CD1-CG 3.98Å; L433-F445 HydrophobicContact CD1-CZ 4.27Å; L433-F445 HydrophobicContact CD2-CD1 4Å; L433-F445 HydrophobicContact CD2-CE1 4.31Å; L433-F445 HydrophobicContact CG-CD1 4.48Å
434A96.6Very high93.3Very high5 Ų558 Ų584%0.04130%0.3CS..Hα-helixtrans-76.6-8.7-177.400000114.4P415 R417 L432 I442P415-A434 HydrophobicContact CB-CB 3.52Å; R417-A434 HydrophobicContact CG-CB 4.14Å; R417-A434 WeakPolarHBondContact CG-O 3.13Å; R417-A434 PolarHBondContact NE-O 3.14Å; R417-A434 VanDerWaalsContact NE-O 3.17Å; L432-A434 PolarHBondContact O-N 3.34Å; A434-I442 HydrophobicContact CB-CD1 4.17Å
435Y95.7Very high93.9Very high99 Ų9961.8 Ų61.839%0.38832%0.316SS..Hα-helixtrans-83.7-43.4166.7178.3-109.1000111.1R429 L432 L433R429-Y435 HydrophobicContact CB-CD1 4.32Å; R429-Y435 HydrophobicContact CB-CE1 4.27Å; R429-Y435 VanDerWaalsContact CD-CE2 3.4Å; R429-Y435 VanDerWaalsContact CD-CZ 3.44Å; R429-Y435 HydrophobicContact CG-CD1 3.76Å; R429-Y435 HydrophobicContact CG-CD2 3.68Å; R429-Y435 HydrophobicContact CG-CE1 3.81Å; R429-Y435 HydrophobicContact CG-CE2 3.8Å; R429-Y435 HydrophobicContact CG-CG 3.66Å; R429-Y435 PolarHBondContact NH1-OH 3.39Å; R429-Y435 WeakPolarHBondContact O-CB 3.46Å; R429-Y435 WeakPolarHBondContact O-CD1 3.26Å; L432-Y435 WeakPolarHBondContact O-CB 3.19Å; L432-Y435 PolarHBondContact O-N 3.42Å; L432-Y435 VanDerWaalsContact O-N 3.14Å; L433-Y435 PolarHBondContact O-N 3.3Å
436Q93.4Very high94.6Very high109 Ų10960 Ų6051%0.50931%0.307SS..Hα-helixtrans-75.5-27.1-177.4-67.1175.546.500114.4E430 L432 L433E430-Q436 WeakPolarHBondContact O-CG 3.33Å; E430-Q436 PolarHBondContact O-NE2 2.84Å; L432-Q436 WeakPolarHBondContact O-CG 3.47Å; L432-Q436 PolarHBondContact O-N 3.49Å; L432-Q436 VanDerWaalsContact O-N 3.1Å; L433-Q436 PolarHBondContact O-N 3.31Å
437K95.1Very high95.1Very high69 Ų6961 Ų6130%0.332%0.321SS..SBendtrans-129.4142.7-163.8-67.5-165.2-172.8-57.90112.8L433 D441 I442 F445L433-K437 HydrophobicContact CD1-CD 3.76Å; L433-K437 HydrophobicContact CD1-CG 4.38Å; L433-K437 WeakPolarHBondContact O-CB 3.41Å; L433-K437 PolarHBondContact O-N 2.86Å; K437-D441 HydrophobicContact CB-CB 3.8Å; K437-D441 HydrophobicContact CD-CB 4.06Å; K437-D441 HydrophobicContact CG-CB 4.13Å; K437-I442 HydrophobicContact CB-CG1 3.83Å; K437-F445 HydrophobicContact CD-CB 4.2Å
438S96.5Very high95.6Very high59 Ų5960.6 Ų60.641%0.41332%0.318SS..  trans-66.7164.6165.975.50000110.7A440 D441 I442S438-A440 PolarHBondContact O-N 3.26Å; S438-D441 WeakPolarHBondContact CB-OD2 3.5Å; S438-D441 PolarHBondContact N-OD2 3.44Å; S438-D441 PolarHBondContact O-N 2.67Å; S438-D441 VanDerWaalsContact O-N 3.12Å; S438-D441 PolarHBondContact OG-N 3.15Å; S438-D441 PolarHBondContact OG-OD2 3.37Å; S438-I442 VanDerWaalsContact O-CG1 3.3Å; S438-I442 WeakPolarHBondContact O-CG1 3.23Å; S438-I442 PolarHBondContact O-N 3.15Å
439L96Very high96Very high93 Ų9359.7 Ų59.749%0.48731%0.311SS..Hα-helixtrans-59.6-36.4177.5-173.663.2000112.4I442 K443 V451 Y453L439-I442 PolarHBondContact O-N 2.65Å; L439-K443 PolarHBondContact O-N 2.87Å; L439-V451 HydrophobicContact CD1-CB 4.27Å; L439-V451 HydrophobicContact CD1-CG1 4.15Å; L439-Y453 HydrophobicContact CD1-CD2 3.9Å; L439-Y453 HydrophobicContact CD1-CE2 3.74Å
440A96.9Very high96.4Very high64 Ų6456.3 Ų56.353%0.52930%0.302SS..Hα-helixtrans-65.2-41.6175.600000111.6S438 I442 K443 T444S438-A440 PolarHBondContact O-N 3.26Å; A440-I442 VanDerWaalsContact C-N 3.35Å; A440-K443 WeakPolarHBondContact O-CB 3.18Å; A440-K443 PolarHBondContact O-N 3.26Å; A440-T444 PolarHBondContact O-N 2.77Å; A440-T444 VanDerWaalsContact O-N 3.11Å; A440-T444 PolarHBondContact O-OG1 2.6Å
441D97.5Very high96.7Very high83 Ų8351.4 Ų51.444%0.44428%0.28SS..Hα-helixtrans-69.4-33.5176.7-62-44000112.1K437 S438 T444 F445K437-D441 HydrophobicContact CB-CB 3.8Å; K437-D441 HydrophobicContact CD-CB 4.06Å; K437-D441 HydrophobicContact CG-CB 4.13Å; S438-D441 WeakPolarHBondContact CB-OD2 3.5Å; S438-D441 PolarHBondContact N-OD2 3.44Å; S438-D441 PolarHBondContact O-N 2.67Å; S438-D441 VanDerWaalsContact O-N 3.12Å; S438-D441 PolarHBondContact OG-N 3.15Å; S438-D441 PolarHBondContact OG-OD2 3.37Å; D441-T444 PolarHBondContact O-N 3.46Å; D441-F445 VanDerWaalsContact O-CB 3.23Å; D441-F445 WeakPolarHBondContact O-CB 3.46Å; D441-F445 PolarHBondContact O-N 3.4Å
442I97.9Very high97Very high4 Ų448.8 Ų48.82%0.02127%0.271CS..Hα-helixtrans-62.6-48172.7-68.6171.2000110.1L433 A434 K437 S438 L439 A440 T444 F445 L446 V451 Y453L433-I442 HydrophobicContact CD2-CB 4.48Å; L433-I442 HydrophobicContact CD2-CG1 4.08Å; L433-I442 HydrophobicContact CD2-CG2 3.93Å; L433-I442 HydrophobicContact CG-CG1 4.05Å; A434-I442 HydrophobicContact CB-CD1 4.17Å; K437-I442 HydrophobicContact CB-CG1 3.83Å; S438-I442 VanDerWaalsContact O-CG1 3.3Å; S438-I442 WeakPolarHBondContact O-CG1 3.23Å; S438-I442 PolarHBondContact O-N 3.15Å; L439-I442 PolarHBondContact O-N 2.65Å; A440-I442 VanDerWaalsContact C-N 3.35Å; I442-T444 VanDerWaalsContact C-N 3.31Å; I442-T444 PolarHBondContact O-N 2.91Å; I442-F445 PolarHBondContact O-N 3.48Å; I442-L446 HydrophobicContact CG2-CD1 3.84Å; I442-L446 HydrophobicContact CG2-CG 4.24Å; I442-L446 VanDerWaalsContact O-CG 3.31Å; I442-L446 WeakPolarHBondContact O-CG 3.44Å; I442-L446 PolarHBondContact O-N 3.45Å; I442-V451 HydrophobicContact CG2-CG1 4.18Å; I442-Y453 HydrophobicContact CD1-CE2 4.43Å
443K97.9Very high97.2Very high89 Ų8950.2 Ų50.239%0.38728%0.277SS..Hα-helixtrans-52.9-51.3175.6172.6-168.6147.8161.80110.9L439 A440 L446 G447 A448 D449 V451L439-K443 PolarHBondContact O-N 2.87Å; A440-K443 WeakPolarHBondContact O-CB 3.18Å; A440-K443 PolarHBondContact O-N 3.26Å; K443-L446 PolarHBondContact O-N 3.34Å; K443-G447 PolarHBondContact O-N 3.17Å; K443-A448 WeakPolarHBondContact CG-O 3.23Å; K443-A448 PolarHBondContact O-N 3.38Å; K443-D449 WeakPolarHBondContact CD-O 3.28Å; K443-D449 VanDerWaalsContact CE-O 3.23Å; K443-D449 WeakPolarHBondContact CE-O 3.44Å; K443-D449 PolarHBondContact NZ-O 2.82Å; K443-V451 HydrophobicContact CB-CG2 3.91Å; K443-V451 HydrophobicContact CG-CG2 4.42Å
444T98Very high97.3Very high108 Ų10850 Ų5066%0.66328%0.276SS*.Hα-helixtrans-62.2-45179.3-57.90000111.7A440 D441 I442 L446 G447A440-T444 PolarHBondContact O-N 2.77Å; A440-T444 VanDerWaalsContact O-N 3.11Å; A440-T444 PolarHBondContact O-OG1 2.6Å; D441-T444 PolarHBondContact O-N 3.46Å; I442-T444 VanDerWaalsContact C-N 3.31Å; I442-T444 PolarHBondContact O-N 2.91Å; T444-L446 VanDerWaalsContact C-N 3.34Å; T444-L446 PolarHBondContact O-N 2.93Å; T444-G447 PolarHBondContact O-N 3.07Å; T444-G447 VanDerWaalsContact O-N 3.12Å
445F97.4Very high97.4Very high80 Ų8051.9 Ų51.935%0.35129%0.289SS..Hα-helixtrans-60.6-41.2178.8175.5-94.5000112.8A393 L433 K437 D441 I442 G447A393-F445 HydrophobicContact CB-CE1 4.41Å; L433-F445 HydrophobicContact CD1-CD1 3.61Å; L433-F445 HydrophobicContact CD1-CD2 4.46Å; L433-F445 HydrophobicContact CD1-CE1 3.79Å; L433-F445 HydrophobicContact CD1-CG 3.98Å; L433-F445 HydrophobicContact CD1-CZ 4.27Å; L433-F445 HydrophobicContact CD2-CD1 4Å; L433-F445 HydrophobicContact CD2-CE1 4.31Å; L433-F445 HydrophobicContact CG-CD1 4.48Å; K437-F445 HydrophobicContact CD-CB 4.2Å; D441-F445 VanDerWaalsContact O-CB 3.23Å; D441-F445 WeakPolarHBondContact O-CB 3.46Å; D441-F445 PolarHBondContact O-N 3.4Å; I442-F445 PolarHBondContact O-N 3.48Å; F445-G447 VanDerWaalsContact C-N 3.3Å
446L97.3Very high97.5Very high3 Ų349.6 Ų49.62%0.01628%0.283CS..Hα-helixtrans-75.9-20177.7-62.9179.9000112.7I386 M392 A393 V396 I409 I442 K443 T444 A448 V451I386-L446 HydrophobicContact CD1-CD1 3.78Å; M392-L446 HydrophobicContact CB-CD2 3.91Å; M392-L446 HydrophobicContact CG-CD1 4.13Å; M392-L446 HydrophobicContact CG-CD2 4Å; A393-L446 HydrophobicContact CB-CD2 4.12Å; V396-L446 WeakPolarHBondContact CB-O 3.24Å; V396-L446 WeakPolarHBondContact CG1-O 3.5Å; I409-L446 HydrophobicContact CG1-CD1 4.43Å; I442-L446 HydrophobicContact CG2-CD1 3.84Å; I442-L446 HydrophobicContact CG2-CG 4.24Å; I442-L446 VanDerWaalsContact O-CG 3.31Å; I442-L446 WeakPolarHBondContact O-CG 3.44Å; I442-L446 PolarHBondContact O-N 3.45Å; K443-L446 PolarHBondContact O-N 3.34Å; T444-L446 VanDerWaalsContact C-N 3.34Å; T444-L446 PolarHBondContact O-N 2.93Å; L446-A448 VanDerWaalsContact C-N 3.28Å; L446-A448 HydrophobicContact CB-CB 4.3Å; L446-V451 HydrophobicContact CD1-CG2 4.12Å
447G97.6Very high97.6Very high35 Ų3550.3 Ų50.336%0.36129%0.29SS..THydrogen-bonded Turntrans72.221.2-17200000113.5V396 K400 K443 T444 F445V396-G447 WeakPolarHBondContact CG1-O 3.49Å; K400-G447 WeakPolarHBondContact CE-O 3.46Å; K400-G447 PolarHBondContact NZ-O 3.24Å; K443-G447 PolarHBondContact O-N 3.17Å; T444-G447 PolarHBondContact O-N 3.07Å; T444-G447 VanDerWaalsContact O-N 3.12Å; F445-G447 VanDerWaalsContact C-N 3.3Å
448A98.2Very high97.7Very high5 Ų547 Ų474%0.04128%0.276CS..  trans-86.9158.4-178.200000111.8V396 I409 K443 L446 V451V396-A448 HydrophobicContact CG1-CB 4.45Å; I409-A448 HydrophobicContact CG1-CB 3.74Å; K443-A448 WeakPolarHBondContact CG-O 3.23Å; K443-A448 PolarHBondContact O-N 3.38Å; L446-A448 VanDerWaalsContact C-N 3.28Å; L446-A448 HydrophobicContact CB-CB 4.3Å; A448-V451 HydrophobicContact CB-CG2 3.95Å
449D98.6Very high97.8Very high53 Ų5344.3 Ų44.328%0.28326%0.257SS..SBendtrans-81.7-35.8179-59.9-70.4000111.1K400 E406 V407 K443K400-D449 WeakPolarHBondContact CE-OD2 3.43Å; K400-D449 VanDerWaalsContact NZ-CG 3.27Å; K400-D449 IonicContact NZ-OD1 2.88Å; K400-D449 PolarHBondContact NZ-OD1 3.13Å; K400-D449 IonicContact NZ-OD2 3.55Å; K400-D449 PolarHBondContact NZ-OD2 3.45Å; E406-D449 WeakPolarHBondContact CA-OD2 3.46Å; E406-D449 HydrophobicContact CB-CB 4.34Å; V407-D449 PolarHBondContact N-OD2 3.12Å; V407-D449 PolarHBondContact O-N 2.96Å; K443-D449 WeakPolarHBondContact CD-O 3.28Å; K443-D449 VanDerWaalsContact CE-O 3.23Å; K443-D449 WeakPolarHBondContact CE-O 3.44Å; K443-D449 PolarHBondContact NZ-O 2.82Å
450S98.5Very high97.7Very high29 Ų2942.1 Ų42.120%0.20325%0.245CC..EExtended strand (participates in β ladder)trans-145.1155168.175.70000111.5H408 I409 R410H408-S450 VanDerWaalsContact CB-OG 3.31Å; H408-S450 WeakPolarHBondContact CB-OG 3.39Å; H408-S450 PolarHBondContact ND1-OG 3.42Å; I409-S450 PolarHBondContact N-O 3.4Å; R410-S450 PolarHBondContact NH1-OG 3.07Å
451V98.5Very high97.5Very high14 Ų1444.2 Ų44.29%0.08524%0.244CC..EExtended strand (participates in β ladder)trans-136.5132.5173.4-176.30000108.2I409 L439 I442 K443 L446 A448 Y453I409-V451 HydrophobicContact CB-CB 4.43Å; I409-V451 HydrophobicContact CB-CG1 4.22Å; I409-V451 HydrophobicContact CB-CG2 4.11Å; I409-V451 HydrophobicContact CG1-CG2 4.42Å; I409-V451 HydrophobicContact CG2-CG1 4.24Å; I409-V451 WeakPolarHBondContact O-CA 3.28Å; L439-V451 HydrophobicContact CD1-CB 4.27Å; L439-V451 HydrophobicContact CD1-CG1 4.15Å; I442-V451 HydrophobicContact CG2-CG1 4.18Å; K443-V451 HydrophobicContact CB-CG2 3.91Å; K443-V451 HydrophobicContact CG-CG2 4.42Å; L446-V451 HydrophobicContact CD1-CG2 4.12Å; A448-V451 HydrophobicContact CB-CG2 3.95Å; V451-Y453 HydrophobicContact CG1-CD2 4.43Å; V451-Y453 HydrophobicContact CG1-CE2 3.84Å
452A98.5Very high97.3Very high18 Ų1840.8 Ų40.815%0.14923%0.226CC..EExtended strand (participates in β ladder)trans-141.1153.4169.700000111.2A308 I409 R410 I411A308-A452 HydrophobicContact CB-CB 3.48Å; A308-A452 VanDerWaalsContact CB-CB 3.48Å; I409-A452 PolarHBondContact O-N 3.07Å; R410-A452 WeakPolarHBondContact CA-O 3.26Å; I411-A452 PolarHBondContact N-O 3.02Å
453Y98.6Very high97.1Very high30 Ų3040.6 Ų40.612%0.11823%0.225CC..EExtended strand (participates in β ladder)trans-118.3150.1179.9-68.7-97.3000109I386 I411 S413 P415 L439 I442 V451I386-Y453 HydrophobicContact CB-CE1 4.45Å; I411-Y453 HydrophobicContact CB-CD1 3.54Å; I411-Y453 HydrophobicContact CB-CE1 3.84Å; I411-Y453 HydrophobicContact CB-CG 4.22Å; I411-Y453 HydrophobicContact CG1-CD1 3.95Å; I411-Y453 HydrophobicContact CG1-CE1 3.76Å; I411-Y453 HydrophobicContact CG2-CD1 3.74Å; I411-Y453 HydrophobicContact CG2-CE1 3.91Å; S413-Y453 WeakPolarHBondContact O-CD1 3.13Å; P415-Y453 HydrophobicContact CB-CD1 4.3Å; P415-Y453 HydrophobicContact CB-CE1 4.33Å; P415-Y453 HydrophobicContact CG-CD1 4Å; P415-Y453 HydrophobicContact CG-CD2 4.03Å; P415-Y453 HydrophobicContact CG-CE1 4.44Å; P415-Y453 HydrophobicContact CG-CE2 4.46Å; P415-Y453 HydrophobicContact CG-CG 3.79Å; L439-Y453 HydrophobicContact CD1-CD2 3.9Å; L439-Y453 HydrophobicContact CD1-CE2 3.74Å; I442-Y453 HydrophobicContact CD1-CE2 4.43Å; V451-Y453 HydrophobicContact CG1-CD2 4.43Å; V451-Y453 HydrophobicContact CG1-CE2 3.84Å
454L98.7Very high96.7Very high1 Ų139 Ų391%0.00523%0.226CC..  trans-62.6136.2166.7-17662.5000109C300 K303 L304 I411 S413 P414 L459C300-L454 HydrophobicContact CB-CD2 3.93Å; K303-L454 HydrophobicContact CB-CD1 3.96Å; K303-L454 HydrophobicContact CG-CD1 3.71Å; L304-L454 HydrophobicContact CB-CD1 4.2Å; L304-L454 HydrophobicContact CD1-CB 4.09Å; I411-L454 PolarHBondContact O-N 2.86Å; S413-L454 PolarHBondContact O-N 3.26Å; P414-L454 VanDerWaalsContact CA-O 3.24Å; P414-L454 WeakPolarHBondContact CA-O 3.43Å; L454-L459 HydrophobicContact CD2-CB 3.9Å; L454-L459 HydrophobicContact CD2-CD1 4.23Å; L454-L459 HydrophobicContact CG-CB 4.35Å
455S98.4Very high96.1Very high45 Ų4537.8 Ų37.832%0.31522%0.221SC..  trans-66.8157.1175.868.90000111.9E307 D457 G458 L459E307-S455 PolarHBondContact OE1-OG 2.69Å; E307-S455 WeakPolarHBondContact OE2-CB 3.36Å; E307-S455 PolarHBondContact OE2-N 2.78Å; E307-S455 PolarHBondContact OE2-OG 3.27Å; S455-D457 VanDerWaalsContact C-N 3.3Å; S455-G458 PolarHBondContact O-N 3.32Å; S455-G458 WeakPolarHBondContact OG-CA 3.41Å; S455-G458 PolarHBondContact OG-N 2.8Å; S455-L459 PolarHBondContact O-N 2.71Å
456I97.2Very high95.3Very high51 Ų5134.5 Ų34.526%0.26221%0.21SC..Hα-helixtrans-61.8-44.2175.2-63.2174.1000109.8P414 L459 L460 F480 T481P414-I456 HydrophobicContact CB-CG1 3.62Å; P414-I456 HydrophobicContact CG-CB 4.24Å; P414-I456 HydrophobicContact CG-CG1 3.62Å; I456-L459 PolarHBondContact O-N 3.05Å; I456-L460 HydrophobicContact CG2-CD1 3.94Å; I456-L460 HydrophobicContact CG2-CG 4.4Å; I456-L460 WeakPolarHBondContact O-CB 3.35Å; I456-L460 WeakPolarHBondContact O-CG 3.46Å; I456-L460 PolarHBondContact O-N 3.23Å; I456-F480 HydrophobicContact CD1-CB 3.89Å; I456-F480 HydrophobicContact CG1-CB 4.24Å; I456-T481 HydrophobicContact CD1-CG2 3.83Å
457D97.1Very high94.3Very high123 Ų12335 Ų3566%0.65821%0.214SC*.Hα-helixtrans-63.5-42.4178.3-62.2-25.9000111.2S455 L459 L460 E461S455-D457 VanDerWaalsContact C-N 3.3Å; D457-L459 PolarHBondContact O-N 3.43Å; D457-L460 PolarHBondContact O-N 3.06Å; D457-E461 VanDerWaalsContact O-CB 3.23Å; D457-E461 WeakPolarHBondContact O-CB 3.34Å; D457-E461 PolarHBondContact O-N 3.37Å
458G97.3Very high92.8Very high1 Ų135.8 Ų35.81%0.0121%0.214CC..Hα-helixtrans-63.9-40176.900000113.3E307 S455 V462E307-G458 VanDerWaalsContact OE1-CA 3.32Å; E307-G458 WeakPolarHBondContact OE1-CA 3.28Å; S455-G458 PolarHBondContact O-N 3.32Å; S455-G458 WeakPolarHBondContact OG-CA 3.41Å; S455-G458 PolarHBondContact OG-N 2.8Å; G458-V462 VanDerWaalsContact O-CG2 3.3Å; G458-V462 WeakPolarHBondContact O-CG2 3.46Å; G458-V462 PolarHBondContact O-N 3.38Å; G458-V462 VanDerWaalsContact O-N 3.16Å
459L97Very high90.8Very high2 Ų236.9 Ų36.91%0.0122%0.222CC..Hα-helixtrans-62.9-50.7172.4175.763000111.1I259 I263 P414 L454 S455 I456 D457 E461 V462 I463 F480I259-L459 HydrophobicContact CD1-CG 4.48Å; I259-L459 HydrophobicContact CG1-CD2 3.76Å; I259-L459 HydrophobicContact CG1-CG 4.17Å; I263-L459 HydrophobicContact CD1-CD2 3.84Å; I263-L459 HydrophobicContact CG1-CD1 4.39Å; I263-L459 HydrophobicContact CG1-CD2 4.36Å; P414-L459 VanDerWaalsContact CD-CD2 3.5Å; P414-L459 HydrophobicContact CG-CB 4.39Å; P414-L459 HydrophobicContact CG-CD2 4.02Å; L454-L459 HydrophobicContact CD2-CB 3.9Å; L454-L459 HydrophobicContact CD2-CD1 4.23Å; L454-L459 HydrophobicContact CG-CB 4.35Å; S455-L459 PolarHBondContact O-N 2.71Å; I456-L459 PolarHBondContact O-N 3.05Å; D457-L459 PolarHBondContact O-N 3.43Å; L459-E461 PolarHBondContact O-N 3.47Å; L459-V462 PolarHBondContact O-N 2.85Å; L459-I463 HydrophobicContact CD1-CD1 4.39Å; L459-I463 HydrophobicContact CD1-CG1 3.89Å; L459-I463 HydrophobicContact CG-CG1 4.49Å; L459-I463 WeakPolarHBondContact O-CG1 3.25Å; L459-I463 PolarHBondContact O-N 3.06Å; L459-F480 HydrophobicContact CD2-CE2 3.88Å; L459-F480 HydrophobicContact CD2-CZ 4.46Å
460L94.6Very high88.5Confident46 Ų4643.8 Ų43.824%0.24125%0.249CC..Hα-helixtrans-63.8-40-178.1-73.4175.5000112.3I456 D457 S464 Y475 T477I456-L460 HydrophobicContact CG2-CD1 3.94Å; I456-L460 HydrophobicContact CG2-CG 4.4Å; I456-L460 WeakPolarHBondContact O-CB 3.35Å; I456-L460 WeakPolarHBondContact O-CG 3.46Å; I456-L460 PolarHBondContact O-N 3.23Å; D457-L460 PolarHBondContact O-N 3.06Å; L460-S464 WeakPolarHBondContact O-CB 3.48Å; L460-S464 PolarHBondContact O-N 3.39Å; L460-S464 PolarHBondContact O-OG 3.06Å; L460-Y475 HydrophobicContact CD2-CD2 3.85Å; L460-Y475 HydrophobicContact CD2-CG 4.31Å; L460-T477 HydrophobicContact CD1-CG2 4.37Å; L460-T477 HydrophobicContact CD2-CG2 3.88Å; L460-T477 HydrophobicContact CG-CG2 4.39Å
461E93.3Very high85.9Confident109 Ų10948.1 Ų48.151%0.50927%0.274SS..Hα-helixtrans-57.7-49.9174.7-178.3-170.3131.500110.6K303 D457 L459 S465K303-E461 IonicContact NZ-OE1 3.54Å; K303-E461 PolarHBondContact NZ-OE1 2.88Å; K303-E461 IonicContact NZ-OE2 3.77Å; K303-E461 PolarHBondContact NZ-OE2 3.23Å; D457-E461 VanDerWaalsContact O-CB 3.23Å; D457-E461 WeakPolarHBondContact O-CB 3.34Å; D457-E461 PolarHBondContact O-N 3.37Å; L459-E461 PolarHBondContact O-N 3.47Å; E461-S465 WeakPolarHBondContact O-CB 3.31Å; E461-S465 PolarHBondContact O-N 2.74Å; E461-S465 PolarHBondContact O-OG 3.19Å
462V93.1Very high83.6Confident10 Ų1049.5 Ų49.56%0.06129%0.291CS..Hα-helixtrans-60.5-53.1-179.8167.60000111.1R299 K303 G458 L459 S465 G466R299-V462 HydrophobicContact CB-CG1 3.43Å; R299-V462 VanDerWaalsContact CB-CG1 3.43Å; R299-V462 HydrophobicContact CB-CG2 4.44Å; K303-V462 HydrophobicContact CB-CG2 3.73Å; K303-V462 HydrophobicContact CG-CG2 4.13Å; G458-V462 VanDerWaalsContact O-CG2 3.3Å; G458-V462 WeakPolarHBondContact O-CG2 3.46Å; G458-V462 PolarHBondContact O-N 3.38Å; G458-V462 VanDerWaalsContact O-N 3.16Å; L459-V462 PolarHBondContact O-N 2.85Å; V462-S465 PolarHBondContact O-N 3.41Å; V462-S465 PolarHBondContact O-OG 3.4Å; V462-G466 PolarHBondContact O-N 2.95Å
463I92.8Very high81.9Confident1 Ų150.7 Ų50.71%0.00530%0.295CS..Hα-helixtrans-67.7-44.8-174.8-56.9-55.8000110.5I259 Y262 Q291 A296 L459 S465 G466 A467 Y475I259-I463 HydrophobicContact CD1-CB 4.1Å; I259-I463 HydrophobicContact CD1-CG1 3.83Å; I259-I463 HydrophobicContact CD1-CG2 4.03Å; Y262-I463 HydrophobicContact CD1-CD1 4.29Å; Y262-I463 HydrophobicContact CD2-CD1 4.28Å; Y262-I463 HydrophobicContact CD2-CG2 3.48Å; Y262-I463 VanDerWaalsContact CD2-CG2 3.48Å; Y262-I463 HydrophobicContact CE2-CG2 3.41Å; Y262-I463 VanDerWaalsContact CE2-CG2 3.41Å; Y262-I463 HydrophobicContact CG-CD1 3.91Å; Y262-I463 HydrophobicContact CG-CG2 4.17Å; Q291-I463 PolarHBondContact NE2-O 3.17Å; A296-I463 HydrophobicContact CB-CD1 3.78Å; L459-I463 HydrophobicContact CD1-CD1 4.39Å; L459-I463 HydrophobicContact CD1-CG1 3.89Å; L459-I463 HydrophobicContact CG-CG1 4.49Å; L459-I463 WeakPolarHBondContact O-CG1 3.25Å; L459-I463 PolarHBondContact O-N 3.06Å; I463-S465 VanDerWaalsContact C-N 3.28Å; I463-S465 PolarHBondContact O-N 3.47Å; I463-G466 PolarHBondContact O-N 3.22Å; I463-G466 VanDerWaalsContact O-N 3.11Å; I463-A467 PolarHBondContact O-N 3.43Å; I463-Y475 HydrophobicContact CG2-CD1 4.27Å; I463-Y475 HydrophobicContact CG2-CE1 3.52Å; I463-Y475 HydrophobicContact CG2-CE2 4.27Å
464S89.2Confident81.3Confident56 Ų5649.9 Ų49.939%0.39230%0.296SS..Hα-helixtrans-64.9-31.3179.5-51.30000112.9L460 G466 A467 Y475L460-S464 WeakPolarHBondContact O-CB 3.48Å; L460-S464 PolarHBondContact O-N 3.39Å; L460-S464 PolarHBondContact O-OG 3.06Å; S464-G466 PolarHBondContact O-N 3.07Å; S464-A467 PolarHBondContact O-N 3.17Å; S464-Y475 WeakPolarHBondContact OG-CE2 3.16Å
465S85.9Confident81Confident82 Ų8250.9 Ų50.957%0.57330%0.3SS*.Hα-helixtrans-69-22.3176.874.40000113.6E461 V462 I463E461-S465 WeakPolarHBondContact O-CB 3.31Å; E461-S465 PolarHBondContact O-N 2.74Å; E461-S465 PolarHBondContact O-OG 3.19Å; V462-S465 PolarHBondContact O-N 3.41Å; V462-S465 PolarHBondContact O-OG 3.4Å; I463-S465 VanDerWaalsContact C-N 3.28Å; I463-S465 PolarHBondContact O-N 3.47Å
466G80.2Confident80.8Confident11 Ų1149.2 Ų49.211%0.11329%0.288CS..Hα-helixtrans-90.9-14.8178.800000114.3V462 I463 S464V462-G466 PolarHBondContact O-N 2.95Å; I463-G466 PolarHBondContact O-N 3.22Å; I463-G466 VanDerWaalsContact O-N 3.11Å; S464-G466 PolarHBondContact O-N 3.07Å
467A76.9Confident80.7Confident13 Ų1347.7 Ų47.711%0.10728%0.281CS..  trans-78.1129-179.600000111.1E273 I463 S464 S469 N473E273-A467 HydrophobicContact CB-CB 4.14Å; I463-A467 PolarHBondContact O-N 3.43Å; S464-A467 PolarHBondContact O-N 3.17Å; A467-S469 VanDerWaalsContact C-N 3.3Å; A467-S469 PolarHBondContact O-N 3.21Å; A467-N473 WeakPolarHBondContact CB-ND2 3.46Å
468S65.6Low80.6Confident52 Ų5241.9 Ų41.936%0.36425%0.25SS..SBendtrans-77.5-17179.8-73.30000113.7R275 S289R275-S468 VanDerWaalsContact CZ-O 3.23Å; R275-S468 PolarHBondContact NE-O 2.8Å; S289-S468 WeakPolarHBondContact O-CB 3.49Å; S289-S468 PolarHBondContact O-OG 2.68Å
469S57.6Low80.6Confident28 Ų2842.1 Ų42.120%0.19625%0.251CS..  trans-99.9123.3169.4-167.40000111.1R275 A467 V471 N473R275-S469 PolarHBondContact NH2-OG 3.01Å; A467-S469 VanDerWaalsContact C-N 3.3Å; A467-S469 PolarHBondContact O-N 3.21Å; S469-V471 PolarHBondContact OG-N 2.96Å; S469-V471 PolarHBondContact OG-O 2.68Å; S469-N473 PolarHBondContact O-ND2 3.23Å; S469-N473 PolarHBondContact O-OD1 2.76Å; S469-N473 VanDerWaalsContact O-OD1 3.12Å
470K50.2Low80.5Confident197 Ų19742.5 Ų42.586%0.85725%0.253SS*.  trans-87.1-11.9165.2-69.5-171.5177.8-178.20112.5G472K470-G472 PolarHBondContact O-N 3.04Å
471V42.7Very low80.6Confident121 Ų12143 Ų4373%0.73326%0.258SS*.SBendtrans-91.1107.1-170.2-174.30000108.5S469 N473S469-V471 PolarHBondContact OG-N 2.96Å; S469-V471 PolarHBondContact OG-O 2.68Å; V471-N473 PolarHBondContact O-OD1 3.25Å
472G50.5Low80.6Confident42 Ų4239.1 Ų39.143%0.43325%0.248SC..SBendtrans95.5-13.7174.400000115.8S255 K470 G474S255-G472 VanDerWaalsContact CB-O 3.32Å; S255-G472 WeakPolarHBondContact CB-O 3.35Å; S255-G472 PolarHBondContact N-O 3.17Å; S255-G472 PolarHBondContact OG-O 3.37Å; K470-G472 PolarHBondContact O-N 3.04Å; G472-G474 PolarHBondContact O-N 3.24Å
473N62.6Low80.6Confident43 Ų4343.7 Ų43.723%0.2328%0.275CS..  trans-68.593-170.9-64.738.6000112.7E273 A467 S469 V471E273-N473 PolarHBondContact OE1-ND2 2.71Å; A467-N473 WeakPolarHBondContact CB-ND2 3.46Å; S469-N473 PolarHBondContact O-ND2 3.23Å; S469-N473 PolarHBondContact O-OD1 2.76Å; S469-N473 VanDerWaalsContact O-OD1 3.12Å; V471-N473 PolarHBondContact O-OD1 3.25Å
474G86.5Confident80.5Confident13 Ų1345.4 Ų45.413%0.13428%0.282CS..  trans-108159.5158.900000110.4S255 F257 G472S255-G474 CarbonylContact C-O 3.56Å; S255-G474 CarbonylContact O-C 3.56Å; S255-G474 WeakPolarHBondContact O-CA 3.49Å; S255-G474 PolarHBondContact O-N 3.32Å; S255-G474 VanDerWaalsContact O-O 3.14Å; S255-G474 PolarHBondContact OG-N 3.29Å; S255-G474 PolarHBondContact OG-O 2.91Å; F257-G474 PolarHBondContact N-O 2.93Å; F257-G474 VanDerWaalsContact N-O 3.11Å; G472-G474 PolarHBondContact O-N 3.24Å
475Y93Very high80.4Confident23 Ų2344.7 Ų44.79%0.0928%0.276CS..EExtended strand (participates in β ladder)trans-120.9141.5177.4-56.9-85.3000109.5F257 I259 Y262 E273 L460 I463 S464 T477F257-Y475 HydrophobicContact CB-CD1 4.21Å; F257-Y475 HydrophobicContact CD1-CD1 4.22Å; F257-Y475 HydrophobicContact CD1-CE1 4.3Å; F257-Y475 CarbonylContact O-C 3.58Å; F257-Y475 VanDerWaalsContact O-CA 3.31Å; F257-Y475 WeakPolarHBondContact O-CA 3.46Å; I259-Y475 HydrophobicContact CD1-CD1 3.77Å; I259-Y475 HydrophobicContact CD1-CE1 4.43Å; I259-Y475 HydrophobicContact CD1-CG 3.8Å; Y262-Y475 HydrophobicContact CE2-CE1 4.15Å; E273-Y475 PolarHBondContact OE1-OH 3.22Å; E273-Y475 PolarHBondContact OE2-OH 3.36Å; E273-Y475 VanDerWaalsContact OE2-OH 3.13Å; L460-Y475 HydrophobicContact CD2-CD2 3.85Å; L460-Y475 HydrophobicContact CD2-CG 4.31Å; I463-Y475 HydrophobicContact CG2-CD1 4.27Å; I463-Y475 HydrophobicContact CG2-CE1 3.52Å; I463-Y475 HydrophobicContact CG2-CE2 4.27Å; S464-Y475 WeakPolarHBondContact OG-CE2 3.16Å; Y475-T477 PolarHBondContact O-N 3.45Å
476C94.5Very high80.5Confident9 Ų941.7 Ų41.76%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-74.4110.7169.9178.20000109.4A256 F257 I259A256-C476 HydrophobicContact CB-CB 4.1Å; A256-C476 WeakPolarHBondContact O-CB 3.46Å; F257-C476 PolarHBondContact O-N 2.9Å; I259-C476 WeakPolarHBondContact CG2-O 3.46Å
477T95.1Very high80.5Confident20 Ų2044.2 Ų44.212%0.12328%0.28CS..  trans-108.214.9175.860.70000112.9L460 Y475 C479 F480 T481L460-T477 HydrophobicContact CD1-CG2 4.37Å; L460-T477 HydrophobicContact CD2-CG2 3.88Å; L460-T477 HydrophobicContact CG-CG2 4.39Å; Y475-T477 PolarHBondContact O-N 3.45Å; T477-C479 PolarHBondContact O-N 2.97Å; T477-C479 VanDerWaalsContact O-N 3.08Å; T477-F480 WeakPolarHBondContact O-CA 3.27Å; T477-F480 WeakPolarHBondContact O-CB 3.48Å; T477-F480 PolarHBondContact O-N 2.96Å; T477-T481 PolarHBondContact O-N 3.33Å; T477-T481 PolarHBondContact O-OG1 3.2Å; T477-T481 WeakPolarHBondContact OG1-CG2 3.37Å; T477-T481 PolarHBondContact OG1-OG1 3.43Å
478A95Very high80.6Confident1 Ų144.6 Ų44.61%0.00828%0.28CS..Hα-helixtrans-57.2-32.3-169.900000113.7N418 F480 T481 G482 V483 Y484N418-A478 WeakPolarHBondContact CB-O 3.37Å; N418-A478 PolarHBondContact ND2-O 3.41Å; A478-F480 PolarHBondContact O-N 3.42Å; A478-F480 VanDerWaalsContact O-N 3.1Å; A478-T481 PolarHBondContact O-N 3.48Å; A478-G482 WeakPolarHBondContact O-CA 3.41Å; A478-G482 PolarHBondContact O-N 3.04Å; A478-V483 WeakPolarHBondContact CA-O 3.49Å; A478-V483 VanDerWaalsContact CB-O 3.31Å; A478-V483 WeakPolarHBondContact CB-O 3.39Å; A478-Y484 HydrophobicContact CB-CD1 3.21Å; A478-Y484 HydrophobicContact CB-CD2 4.31Å; A478-Y484 HydrophobicContact CB-CE1 3.41Å; A478-Y484 VanDerWaalsContact CB-CE1 3.41Å; A478-Y484 HydrophobicContact CB-CE2 4.48Å; A478-Y484 HydrophobicContact CB-CG 3.73Å
479C95.6Very high80.6Confident6 Ų646.8 Ų46.84%0.04129%0.288CS..Hα-helixtrans-58.1-26.3175.8-53.90000112.5F260 I416 R417 N418 I426 T477F260-C479 HydrophobicContact CD2-CB 4.44Å; F260-C479 HydrophobicContact CE2-CB 4.19Å; I416-C479 HydrophobicContact CG2-CB 4.36Å; R417-C479 PolarHBondContact N-O 3.26Å; N418-C479 PolarHBondContact N-O 2.97Å; I426-C479 HydrophobicContact CD1-CB 3.89Å; I426-C479 WeakPolarHBondContact CD1-SG 3.46Å; T477-C479 PolarHBondContact O-N 2.97Å; T477-C479 VanDerWaalsContact O-N 3.08Å
480F96.3Very high80.7Confident9 Ų956.9 Ų56.94%0.03932%0.322CS..Hα-helixtrans-100.5-45.6178.3-44.7-48.9000112I259 F260 I263 P414 I416 N418 I456 L459 T477 A478I259-F480 HydrophobicContact CG2-CE2 3.71Å; I259-F480 HydrophobicContact CG2-CZ 4.35Å; F260-F480 HydrophobicContact CD2-CZ 4.1Å; F260-F480 AromaticContact CE2-CE1 3.63Å; F260-F480 HydrophobicContact CE2-CE1 3.63Å; F260-F480 AromaticContact CE2-CZ 3.47Å; F260-F480 HydrophobicContact CE2-CZ 3.47Å; F260-F480 VanDerWaalsContact CE2-CZ 3.47Å; F260-F480 HydrophobicContact CZ-CE1 4.22Å; F260-F480 HydrophobicContact CZ-CZ 4.21Å; I263-F480 HydrophobicContact CD1-CE2 4.03Å; I263-F480 HydrophobicContact CD1-CZ 3.54Å; P414-F480 HydrophobicContact CB-CB 4.19Å; P414-F480 HydrophobicContact CB-CD1 3.88Å; P414-F480 HydrophobicContact CB-CD2 4.12Å; P414-F480 HydrophobicContact CB-CE1 4.27Å; P414-F480 HydrophobicContact CB-CG 3.8Å; P414-F480 HydrophobicContact CG-CD1 4.49Å; P414-F480 HydrophobicContact CG-CD2 3.97Å; P414-F480 HydrophobicContact CG-CE2 4.1Å; P414-F480 HydrophobicContact CG-CG 4.18Å; P414-F480 HydrophobicContact CG-CZ 4.43Å; P414-F480 WeakPolarHBondContact O-CE1 3.19Å; I416-F480 HydrophobicContact CG1-CD1 4.34Å; I416-F480 HydrophobicContact CG1-CE1 3.87Å; N418-F480 PolarHBondContact ND2-O 3.12Å; I456-F480 HydrophobicContact CD1-CB 3.89Å; I456-F480 HydrophobicContact CG1-CB 4.24Å; L459-F480 HydrophobicContact CD2-CE2 3.88Å; L459-F480 HydrophobicContact CD2-CZ 4.46Å; T477-F480 WeakPolarHBondContact O-CA 3.27Å; T477-F480 WeakPolarHBondContact O-CB 3.48Å; T477-F480 PolarHBondContact O-N 2.96Å; A478-F480 PolarHBondContact O-N 3.42Å; A478-F480 VanDerWaalsContact O-N 3.1Å
481T95.4Very high82.2Confident57 Ų5749.9 Ų49.935%0.3530%0.295SS..Hα-helixtrans-92.9-23.9-169.759.50000114.1I456 T477 A478 V483I456-T481 HydrophobicContact CD1-CG2 3.83Å; T477-T481 PolarHBondContact O-N 3.33Å; T477-T481 PolarHBondContact O-OG1 3.2Å; T477-T481 WeakPolarHBondContact OG1-CG2 3.37Å; T477-T481 PolarHBondContact OG1-OG1 3.43Å; A478-T481 PolarHBondContact O-N 3.48Å; T481-V483 PolarHBondContact O-N 3.22Å; T481-V483 PolarHBondContact OG1-N 3.33Å
482G94Very high84.3Confident28 Ų2846.2 Ų46.229%0.28927%0.272SS..  trans73.53.6-16900000113.5N418 A478 Y484N418-G482 WeakPolarHBondContact ND2-CA 3.31Å; N418-G482 PolarHBondContact ND2-N 3.39Å; A478-G482 WeakPolarHBondContact O-CA 3.41Å; A478-G482 PolarHBondContact O-N 3.04Å; G482-Y484 VanDerWaalsContact O-CD2 3.26Å; G482-Y484 WeakPolarHBondContact O-CD2 3.48Å; G482-Y484 WeakPolarHBondContact O-CE2 3.4Å
483V92.7Very high86.2Confident106 Ų10646.4 Ų46.464%0.64226%0.263SS*.  trans-94.3106.5178-1770000108.4A478 T481A478-V483 WeakPolarHBondContact CA-O 3.49Å; A478-V483 VanDerWaalsContact CB-O 3.31Å; A478-V483 WeakPolarHBondContact CB-O 3.39Å; T481-V483 PolarHBondContact O-N 3.22Å; T481-V483 PolarHBondContact OG1-N 3.33Å
484Y91.5Very high87.6Confident37 Ų3746.6 Ų46.615%0.14527%0.265CS..  trans-93.5143.9179.7-62.5-89.8000110.9P419 H421 F422 A478 G482 V486 I488P419-Y484 PolarHBondContact O-OH 3.03Å; H421-Y484 AromaticContact CD2-CE1 3.65Å; H421-Y484 AromaticContact CD2-CZ 3.69Å; H421-Y484 PolarHBondContact CD2-OH 3.33Å; F422-Y484 AromaticContact CE2-CD1 3.71Å; F422-Y484 HydrophobicContact CE2-CD1 3.71Å; F422-Y484 AromaticContact CZ-CD1 3.76Å; F422-Y484 HydrophobicContact CZ-CD1 3.76Å; F422-Y484 HydrophobicContact CZ-CG 4.41Å; A478-Y484 HydrophobicContact CB-CD1 3.21Å; A478-Y484 HydrophobicContact CB-CD2 4.31Å; A478-Y484 HydrophobicContact CB-CE1 3.41Å; A478-Y484 VanDerWaalsContact CB-CE1 3.41Å; A478-Y484 HydrophobicContact CB-CE2 4.48Å; A478-Y484 HydrophobicContact CB-CG 3.73Å; G482-Y484 VanDerWaalsContact O-CD2 3.26Å; G482-Y484 WeakPolarHBondContact O-CD2 3.48Å; G482-Y484 WeakPolarHBondContact O-CE2 3.4Å; Y484-V486 PolarHBondContact O-N 3.36Å; Y484-I488 HydrophobicContact CD1-CD1 3.3Å; Y484-I488 HydrophobicContact CD1-CG1 4.46Å; Y484-I488 HydrophobicContact CD2-CD1 3.47Å; Y484-I488 VanDerWaalsContact CD2-CD1 3.47Å; Y484-I488 HydrophobicContact CD2-CG1 4.47Å; Y484-I488 HydrophobicContact CE1-CD1 3.55Å; Y484-I488 HydrophobicContact CE2-CD1 3.7Å; Y484-I488 HydrophobicContact CG-CD1 3.24Å; Y484-I488 HydrophobicContact CG-CG1 4.17Å
485P87.5Confident87.6Confident40 Ų4048.7 Ų48.726%0.2627%0.273SS..SBendtrans-67.1-21.3179.227.4-36000113.5W186 A256 F422W186-P485 HydrophobicContact CD2-CB 4.27Å; W186-P485 HydrophobicContact CE3-CB 4.11Å; W186-P485 HydrophobicContact CZ3-CB 4.41Å; A256-P485 HydrophobicContact CB-CB 3.78Å; A256-P485 HydrophobicContact CB-CG 3.91Å; F422-P485 HydrophobicContact CE2-CG 3.79Å; F422-P485 HydrophobicContact CZ-CG 3.81Å
486V86.3Confident87.3Confident20 Ų2050.4 Ų50.412%0.12129%0.285CS..SBendtrans-128.7157.8177.8-63.90000110.5A167 W186 F422 Y484A167-V486 HydrophobicContact CB-CG2 3.99Å; W186-V486 HydrophobicContact CD2-CG1 4.44Å; W186-V486 VanDerWaalsContact CE2-CG1 3.48Å; W186-V486 HydrophobicContact CZ2-CG1 3.67Å; F422-V486 HydrophobicContact CE1-CG2 3.7Å; F422-V486 HydrophobicContact CZ-CG2 3.91Å; Y484-V486 PolarHBondContact O-N 3.36Å
487G81.6Confident86.8Confident64 Ų6453.4 Ų53.466%0.6630%0.301SS*.  trans-58.4138.9167.400000111.1S117S117-G487 PolarHBondContact OG-O 3.1Å
488I77.9Confident86.1Confident20 Ų2055.9 Ų55.910%0.10332%0.315CS..  trans-109.2121.9176.3-61.7-177.3000107.6H421 Y484 W490H421-I488 HydrophobicContact CB-CD1 4Å; H421-I488 VanDerWaalsContact CD2-CD1 3.43Å; H421-I488 WeakPolarHBondContact CD2-CD1 3.29Å; Y484-I488 HydrophobicContact CD1-CD1 3.3Å; Y484-I488 HydrophobicContact CD1-CG1 4.46Å; Y484-I488 HydrophobicContact CD2-CD1 3.47Å; Y484-I488 VanDerWaalsContact CD2-CD1 3.47Å; Y484-I488 HydrophobicContact CD2-CG1 4.47Å; Y484-I488 HydrophobicContact CE1-CD1 3.55Å; Y484-I488 HydrophobicContact CE2-CD1 3.7Å; Y484-I488 HydrophobicContact CG-CD1 3.24Å; Y484-I488 HydrophobicContact CG-CG1 4.17Å; I488-W490 HydrophobicContact CG2-CD2 4.42Å; I488-W490 PolarHBondContact O-N 3.04Å; I488-W490 PolarHBondContact O-NE1 3.42Å
489D67.2Low85.4Confident98 Ų9860.5 Ų60.552%0.52434%0.341SS..  trans-78.7106.7168.3-87.2-19.9000107.8
490W58.6Low84.4Confident241 Ų24165.5 Ų65.591%0.91337%0.368SS*.  trans-66.30179.3-55.896.2000112.1I488I488-W490 HydrophobicContact CG2-CD2 4.42Å; I488-W490 PolarHBondContact O-N 3.04Å; I488-W490 PolarHBondContact O-NE1 3.42Å

Retrieved 490 of 490 residues in 617.3 ms (Link to these results)

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