A0A077ZJC2_TRITR Loading...

Large ribosomal subunit protein uL4m

AlphaFold DB , UniProt , Accession A0A077ZJC2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 207 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
1M77.7Confident89.7Confident156 Ų15659 Ų5977%0.76832%0.32SS*.  01190-58.6-175.4-151.600109.9E21M1-E21 PolarHBondContact N-OE2 2.74Å
2P86.6Confident89.8Confident26 Ų2659.6 Ų59.617%0.16933%0.327CS..  trans-65.5141.8174.819.4-23.4000111.8L19 F24 V118P2-L19 WeakPolarHBondContact CD-O 3.14Å; P2-L19 HydrophobicContact CG-CB 4.09Å; P2-L19 PolarHBondContact O-N 3.06Å; P2-F24 HydrophobicContact CG-CB 3.72Å; P2-V118 HydrophobicContact CB-CG1 3.75Å
3T90.2Very high89.9Confident94 Ų9464.3 Ų64.358%0.57735%0.346SS*.EExtended strand (participates in β ladder)trans-118.3134.3178.253.10000110.3I17 T18T3-I17 WeakPolarHBondContact CA-O 3.25Å; T3-T18 HydrophobicContact CG2-CG2 4.23Å
4V92Very high89.9Confident17 Ų1764.5 Ų64.510%0.10335%0.347CS..EExtended strand (participates in β ladder)trans-125.9141.2177.7179.30000109.4L6 D16 I17 L19 V118 L123 A125V4-L6 PolarHBondContact O-N 3.36Å; V4-D16 CarbonylContact O-C 3.57Å; V4-D16 WeakPolarHBondContact O-CA 3.28Å; V4-I17 HydrophobicContact CB-CG2 4.2Å; V4-I17 PolarHBondContact N-O 3.16Å; V4-I17 PolarHBondContact O-N 3.07Å; V4-L19 HydrophobicContact CG2-CD1 3.69Å; V4-V118 HydrophobicContact CG2-CG1 4.3Å; V4-L123 HydrophobicContact CB-CD2 4.48Å; V4-L123 HydrophobicContact CG1-CD2 3.92Å; V4-L123 WeakPolarHBondContact CG1-O 3.41Å; V4-L123 HydrophobicContact CG2-CD2 4.31Å; V4-A125 HydrophobicContact CG1-CB 4.31Å
5A91Very high90Very high26 Ų2662.6 Ų62.622%0.21535%0.348CS..EExtended strand (participates in β ladder)trans-65.2130.2175.500000110.8F7 Q13A5-F7 HydrophobicContact CB-CE2 3.85Å; A5-F7 HydrophobicContact CB-CZ 3.88Å; A5-Q13 HydrophobicContact CB-CG 4.35Å
6L93.6Very high90.1Very high16 Ų1665.6 Ų65.68%0.08436%0.364CS..EExtended strand (participates in β ladder)trans-87.9128.6173.1-172.279.5000108.5V4 Q13 N14 G15 A125 D127 Q196V4-L6 PolarHBondContact O-N 3.36Å; L6-Q13 CarbonylContact O-C 3.44Å; L6-Q13 WeakPolarHBondContact O-CA 3.33Å; L6-N14 HydrophobicContact CD2-CB 4.03Å; L6-N14 HydrophobicContact CG-CB 4.38Å; L6-N14 PolarHBondContact O-N 3.33Å; L6-G15 PolarHBondContact N-O 3.29Å; L6-A125 HydrophobicContact CD1-CB 4.18Å; L6-D127 HydrophobicContact CD2-CB 4.43Å; L6-Q196 HydrophobicContact CD1-CB 4.38Å
7F94.3Very high90.3Very high54 Ų5462.9 Ų62.924%0.23735%0.348CS..EExtended strand (participates in β ladder)trans-110.4150.8175.5-63-81.4000111.5A5 T12 Q13 V124 A125 V126 D127 L146A5-F7 HydrophobicContact CB-CE2 3.85Å; A5-F7 HydrophobicContact CB-CZ 3.88Å; F7-T12 CarbonylContact C-O 3.54Å; F7-T12 WeakPolarHBondContact CA-O 3.41Å; F7-Q13 HydrophobicContact CD1-CB 4.32Å; F7-Q13 HydrophobicContact CE1-CB 4.21Å; F7-V124 HydrophobicContact CD2-CG1 3.71Å; F7-V124 HydrophobicContact CE2-CG1 4.09Å; F7-A125 PolarHBondContact N-O 2.91Å; F7-V126 CarbonylContact O-C 3.56Å; F7-V126 VanDerWaalsContact O-CA 3.27Å; F7-V126 WeakPolarHBondContact O-CA 3.1Å; F7-D127 PolarHBondContact O-N 3.39Å; F7-L146 HydrophobicContact CB-CD2 3.66Å; F7-L146 HydrophobicContact CD1-CD2 4.45Å; F7-L146 HydrophobicContact CD2-CD2 4.32Å; F7-L146 HydrophobicContact CG-CD2 3.9Å
8K92.6Very high90.4Very high90 Ų9064.8 Ų64.839%0.39136%0.362SS..  trans-79.5164.8161-63.9-173.8-174.3171.80109.6D10 G11 T12 N14K8-D10 VanDerWaalsContact CB-OD1 3.26Å; K8-D10 WeakPolarHBondContact CB-OD1 3.48Å; K8-D10 PolarHBondContact O-N 2.97Å; K8-D10 VanDerWaalsContact O-N 3.08Å; K8-G11 PolarHBondContact O-N 3.47Å; K8-T12 PolarHBondContact N-O 2.88Å; K8-N14 VanDerWaalsContact CE-CG 3.42Å; K8-N14 WeakPolarHBondContact CE-OD1 3.34Å; K8-N14 HydrophobicContact CG-CB 3.9Å
9Q89.8Confident90.6Very high56 Ų5661.5 Ų61.526%0.26234%0.343SS..THydrogen-bonded Turntrans-57.3-23.3177.2-174.2173.82.400113.6G11 L129 S130 F131 V142Q9-G11 VanDerWaalsContact C-N 3.35Å; Q9-L129 HydrophobicContact CG-CD2 4.3Å; Q9-S130 PolarHBondContact NE2-O 3.35Å; Q9-S130 PolarHBondContact OE1-O 3.23Å; Q9-F131 VanDerWaalsContact NE2-CZ 3.3Å; Q9-V142 HydrophobicContact CG-CG1 4.19Å; Q9-V142 HydrophobicContact CG-CG2 3.5Å; Q9-V142 VanDerWaalsContact CG-CG2 3.5Å
10D89.4Confident90.7Very high92 Ų9261.2 Ų61.249%0.49234%0.341SS..THydrogen-bonded Turntrans-82.8-6.9177.465.43.2000114.4K8 T12 S145K8-D10 VanDerWaalsContact CB-OD1 3.26Å; K8-D10 WeakPolarHBondContact CB-OD1 3.48Å; K8-D10 PolarHBondContact O-N 2.97Å; K8-D10 VanDerWaalsContact O-N 3.08Å; D10-T12 WeakPolarHBondContact OD1-CB 3.39Å; D10-T12 WeakPolarHBondContact OD1-CG2 3.38Å; D10-T12 PolarHBondContact OD1-N 3.4Å; D10-T12 PolarHBondContact OD1-OG1 3.4Å; D10-T12 PolarHBondContact OD2-OG1 3.21Å; D10-S145 WeakPolarHBondContact O-CB 3.45Å; D10-S145 PolarHBondContact O-OG 3.4Å
11G89.3Confident90.8Very high22 Ų2263.2 Ų63.223%0.22735%0.348CS..SBendtrans93.6-0.3-17700000114.9K8 Q9K8-G11 PolarHBondContact O-N 3.47Å; Q9-G11 VanDerWaalsContact C-N 3.35Å
12T91.5Very high91.6Very high66 Ų6661.9 Ų61.941%0.40534%0.34SS..  trans-77.5139.2175.9610000111.5F7 K8 D10F7-T12 CarbonylContact C-O 3.54Å; F7-T12 WeakPolarHBondContact CA-O 3.41Å; K8-T12 PolarHBondContact N-O 2.88Å; D10-T12 WeakPolarHBondContact OD1-CB 3.39Å; D10-T12 WeakPolarHBondContact OD1-CG2 3.38Å; D10-T12 PolarHBondContact OD1-N 3.4Å; D10-T12 PolarHBondContact OD1-OG1 3.4Å; D10-T12 PolarHBondContact OD2-OG1 3.21Å
13Q91.5Very high91.9Very high121 Ų12160.6 Ų60.657%0.56533%0.331SS*.EExtended strand (participates in β ladder)trans-72.6131.6177.7-169.1176-300110.4A5 L6 F7 D16A5-Q13 HydrophobicContact CB-CG 4.35Å; L6-Q13 CarbonylContact O-C 3.44Å; L6-Q13 WeakPolarHBondContact O-CA 3.33Å; F7-Q13 HydrophobicContact CD1-CB 4.32Å; F7-Q13 HydrophobicContact CE1-CB 4.21Å; Q13-D16 PolarHBondContact NE2-OD1 3.49Å
14N89.5Confident92.1Very high67 Ų6756.3 Ų56.336%0.35831%0.305SS..EExtended strand (participates in β ladder)trans-11522.3-176.5-15830.1000112.6L6 K8 D127L6-N14 HydrophobicContact CD2-CB 4.03Å; L6-N14 HydrophobicContact CG-CB 4.38Å; L6-N14 PolarHBondContact O-N 3.33Å; K8-N14 VanDerWaalsContact CE-CG 3.42Å; K8-N14 WeakPolarHBondContact CE-OD1 3.34Å; K8-N14 HydrophobicContact CG-CB 3.9Å; N14-D127 PolarHBondContact ND2-OD2 3.44Å
15G91.3Very high92.2Very high36 Ų3657.5 Ų57.537%0.37132%0.321SS..EExtended strand (participates in β ladder)trans109.4-159.2-176.400000112.7L6L6-G15 PolarHBondContact N-O 3.29Å
16D92.1Very high92.3Very high111 Ų11158.3 Ų58.359%0.59432%0.321SS*.EExtended strand (participates in β ladder)trans-126.9144.6-179.8-58.6-35.6000110V4 Q13V4-D16 CarbonylContact O-C 3.57Å; V4-D16 WeakPolarHBondContact O-CA 3.28Å; Q13-D16 PolarHBondContact NE2-OD1 3.49Å
17I92.9Very high92.4Very high20 Ų2066.1 Ų66.110%0.10336%0.357CS..EExtended strand (participates in β ladder)trans-106.8133.2173.5-165.1171.5000110.1T3 V4 L19 A125 Q196T3-I17 WeakPolarHBondContact CA-O 3.25Å; V4-I17 HydrophobicContact CB-CG2 4.2Å; V4-I17 PolarHBondContact N-O 3.16Å; V4-I17 PolarHBondContact O-N 3.07Å; I17-L19 HydrophobicContact CG2-CD2 4.27Å; I17-A125 HydrophobicContact CG2-CB 4.14Å; I17-Q196 HydrophobicContact CD1-CG 3.78Å
18T92.7Very high92.4Very high96 Ų9666 Ų6659%0.58936%0.362SS*.EExtended strand (participates in β ladder)trans-87.3123.4172.353.60000109.6T3T3-T18 HydrophobicContact CG2-CG2 4.23Å
19L93.1Very high92.6Very high3 Ų364.4 Ų64.42%0.01636%0.357CS..PPolyproline II helixtrans-100.6155.2179.3-62.9178000111.5P2 V4 I17 E21 F24 V118 L199P2-L19 WeakPolarHBondContact CD-O 3.14Å; P2-L19 HydrophobicContact CG-CB 4.09Å; P2-L19 PolarHBondContact O-N 3.06Å; V4-L19 HydrophobicContact CG2-CD1 3.69Å; I17-L19 HydrophobicContact CG2-CD2 4.27Å; L19-E21 PolarHBondContact O-N 2.92Å; L19-F24 HydrophobicContact CB-CB 4.21Å; L19-F24 HydrophobicContact CB-CD2 3.7Å; L19-F24 HydrophobicContact CB-CE2 4.29Å; L19-F24 HydrophobicContact CB-CG 4.1Å; L19-F24 HydrophobicContact CD1-CB 4.31Å; L19-F24 HydrophobicContact CD1-CD1 4.14Å; L19-F24 HydrophobicContact CD1-CD2 4.15Å; L19-F24 HydrophobicContact CD1-CE1 4.46Å; L19-F24 HydrophobicContact CD1-CE2 4.46Å; L19-F24 HydrophobicContact CD1-CG 3.95Å; L19-F24 HydrophobicContact CD2-CD2 4.46Å; L19-F24 HydrophobicContact CD2-CE2 4.24Å; L19-F24 HydrophobicContact CG-CD2 4.32Å; L19-V118 HydrophobicContact CD1-CG2 4.12Å; L19-L199 HydrophobicContact CD2-CD1 4.21Å
20N93.2Very high93Very high55 Ų5569.8 Ų69.829%0.29438%0.382SS..PPolyproline II helixtrans-66121.2177.4-172.3-13.3000112E22 I23 F24 E203N20-E22 VanDerWaalsContact C-N 3.29Å; N20-E22 PolarHBondContact O-N 3.11Å; N20-E22 PolarHBondContact OD1-N 3.06Å; N20-I23 HydrophobicContact CB-CD1 4.3Å; N20-I23 PolarHBondContact O-N 3.41Å; N20-I23 VanDerWaalsContact O-N 3.16Å; N20-F24 PolarHBondContact O-N 3.44Å; N20-E203 HydrophobicContact CB-CG 4.21Å; N20-E203 WeakPolarHBondContact CB-OE1 3.16Å; N20-E203 PolarHBondContact N-OE1 3.22Å
21E93.2Very high93.4Very high104 Ų10468.9 Ų68.949%0.48638%0.383SS..Hα-helixtrans-63.1-31.5-178.8-171166.8163.900113.2M1 L19 I23 G25M1-E21 PolarHBondContact N-OE2 2.74Å; L19-E21 PolarHBondContact O-N 2.92Å; E21-I23 PolarHBondContact O-N 3.02Å; E21-I23 VanDerWaalsContact O-N 3.16Å; E21-G25 CarbonylContact O-C 3.57Å; E21-G25 WeakPolarHBondContact O-CA 3.44Å; E21-G25 PolarHBondContact O-N 3.15Å
22E93.8Very high93.7Very high127 Ų12768.7 Ų68.759%0.59338%0.377SS*.Hα-helixtrans-70.6-9.4178.5-62.7-170.5172.800114N20 I26 K111N20-E22 VanDerWaalsContact C-N 3.29Å; N20-E22 PolarHBondContact O-N 3.11Å; N20-E22 PolarHBondContact OD1-N 3.06Å; E22-I26 WeakPolarHBondContact O-CG2 3.26Å; E22-K111 WeakPolarHBondContact O-CD 3.36Å; E22-K111 WeakPolarHBondContact O-CE 3.49Å; E22-K111 PolarHBondContact O-NZ 3.41Å
23I93.5Very high94Very high0 Ų066.2 Ų66.20%036%0.362CS..Hα-helixtrans-117.8-45.8-176.1-61.9172.7000110.7N20 E21 K111 L114 S115 E203 L206N20-I23 HydrophobicContact CB-CD1 4.3Å; N20-I23 PolarHBondContact O-N 3.41Å; N20-I23 VanDerWaalsContact O-N 3.16Å; E21-I23 PolarHBondContact O-N 3.02Å; E21-I23 VanDerWaalsContact O-N 3.16Å; I23-K111 HydrophobicContact CG2-CG 4.44Å; I23-K111 VanDerWaalsContact O-O 3.11Å; I23-L114 HydrophobicContact CG2-CD1 4.23Å; I23-S115 PolarHBondContact O-OG 2.83Å; I23-E203 HydrophobicContact CD1-CB 4.07Å; I23-E203 HydrophobicContact CD1-CG 4.05Å; I23-L206 HydrophobicContact CD1-CB 3.83Å; I23-L206 HydrophobicContact CG1-CB 4.21Å; I23-L206 HydrophobicContact CG2-CB 4.48Å; I23-L206 HydrophobicContact CG2-CD1 3.82Å
24F94.7Very high94.3Very high4 Ų467.6 Ų67.62%0.01836%0.363CS..Hα-helixtrans-107.6-4.3-173.6-63-80.7000113.8P2 L19 N20 L114 S115 V118 L123 L199 E203P2-F24 HydrophobicContact CG-CB 3.72Å; L19-F24 HydrophobicContact CB-CB 4.21Å; L19-F24 HydrophobicContact CB-CD2 3.7Å; L19-F24 HydrophobicContact CB-CE2 4.29Å; L19-F24 HydrophobicContact CB-CG 4.1Å; L19-F24 HydrophobicContact CD1-CB 4.31Å; L19-F24 HydrophobicContact CD1-CD1 4.14Å; L19-F24 HydrophobicContact CD1-CD2 4.15Å; L19-F24 HydrophobicContact CD1-CE1 4.46Å; L19-F24 HydrophobicContact CD1-CE2 4.46Å; L19-F24 HydrophobicContact CD1-CG 3.95Å; L19-F24 HydrophobicContact CD2-CD2 4.46Å; L19-F24 HydrophobicContact CD2-CE2 4.24Å; L19-F24 HydrophobicContact CG-CD2 4.32Å; N20-F24 PolarHBondContact O-N 3.44Å; F24-L114 HydrophobicContact CD1-CB 3.9Å; F24-L114 HydrophobicContact CE1-CB 3.95Å; F24-L114 HydrophobicContact CE1-CD1 4.05Å; F24-L114 HydrophobicContact CE1-CD2 4.36Å; F24-L114 HydrophobicContact CE1-CG 4.35Å; F24-L114 HydrophobicContact CZ-CD1 4.45Å; F24-S115 VanDerWaalsContact CA-OG 3.32Å; F24-S115 WeakPolarHBondContact CA-OG 3.15Å; F24-S115 WeakPolarHBondContact O-CA 3.49Å; F24-S115 WeakPolarHBondContact O-CB 3.34Å; F24-S115 PolarHBondContact O-OG 3.25Å; F24-V118 HydrophobicContact CB-CG2 4.19Å; F24-V118 HydrophobicContact CD1-CG2 3.71Å; F24-V118 HydrophobicContact CG-CG2 4.33Å; F24-L123 HydrophobicContact CD1-CD1 4.37Å; F24-L123 HydrophobicContact CE1-CD1 3.97Å; F24-L199 HydrophobicContact CZ-CD2 4.13Å; F24-E203 HydrophobicContact CE2-CG 3.86Å
25G92.5Very high94.7Very high42 Ų4268 Ų6843%0.43337%0.365SS..SBendtrans-119.617.2-177.400000114.2E21 S115E21-G25 CarbonylContact O-C 3.57Å; E21-G25 WeakPolarHBondContact O-CA 3.44Å; E21-G25 PolarHBondContact O-N 3.15Å; G25-S115 PolarHBondContact N-OG 3.47Å
26I94.4Very high95Very high43 Ų4366.4 Ų66.422%0.22135%0.349CS..SBendtrans-85.9152.1179.867.6154.2000111.3E22 P28 L108 K111 S115E22-I26 WeakPolarHBondContact O-CG2 3.26Å; I26-P28 VanDerWaalsContact O-CD 3.26Å; I26-P28 WeakPolarHBondContact O-CD 3.36Å; I26-L108 HydrophobicContact CD1-CD1 3.79Å; I26-K111 HydrophobicContact CD1-CB 3.41Å; I26-K111 VanDerWaalsContact CD1-CB 3.41Å; I26-K111 HydrophobicContact CG1-CB 4.01Å; I26-S115 VanDerWaalsContact CG1-OG 3.24Å; I26-S115 WeakPolarHBondContact CG1-OG 3.35Å; I26-S115 PolarHBondContact N-OG 3.35Å; I26-S115 VanDerWaalsContact N-OG 3.15Å; I26-S115 VanDerWaalsContact O-CB 3.26Å; I26-S115 WeakPolarHBondContact O-CB 3.25Å
27E94.8Very high95.3Very high180 Ų18063 Ų6384%0.84133%0.331SS*.PPolyproline II helixtrans-66.3119.9168.9-170.3177.7-179.600109.5
28P95.6Very high95.5Very high52 Ų5264.7 Ų64.734%0.33834%0.341SS..PPolyproline II helixtrans-63.1138.5-178-24.235.5000112.6I26 E116I26-P28 VanDerWaalsContact O-CD 3.26Å; I26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-E116 HydrophobicContact CG-CB 4.03Å
29N96.7Very high95.8Very high55 Ų5561.2 Ų61.229%0.29432%0.319SS..  trans-103.796.7173.2-172.5-37.5000110.7S31 V32 V33 L108 S112N29-S31 VanDerWaalsContact C-N 3.3Å; N29-S31 PolarHBondContact O-N 3.19Å; N29-S31 PolarHBondContact OD1-N 3.47Å; N29-S31 PolarHBondContact OD1-OG 2.8Å; N29-V32 HydrophobicContact CB-CB 4.16Å; N29-V32 HydrophobicContact CB-CG2 4.33Å; N29-V32 PolarHBondContact O-N 3.34Å; N29-V32 PolarHBondContact OD1-N 3.24Å; N29-V33 WeakPolarHBondContact O-CG2 3.46Å; N29-V33 PolarHBondContact O-N 3.13Å; N29-V33 VanDerWaalsContact O-N 3.08Å; N29-L108 HydrophobicContact CB-CD2 4.33Å; N29-S112 PolarHBondContact N-OG 2.86Å
30E96.6Very high96Very high170 Ų17063 Ų6379%0.79433%0.327SS*.Hα-helixtrans-56.2-40.1-177.1-63.7-178.1-17800113.5V32 V33 Y34E30-V32 PolarHBondContact O-N 3.45Å; E30-V33 PolarHBondContact O-N 3.41Å; E30-Y34 WeakPolarHBondContact O-CB 3.42Å; E30-Y34 PolarHBondContact O-N 2.98Å
31S97.5Very high96.2Very high73 Ų7368.4 Ų68.451%0.5134%0.343SS..Hα-helixtrans-65.1-40.2-178.3690000112.3N29 Y34 D35N29-S31 VanDerWaalsContact C-N 3.3Å; N29-S31 PolarHBondContact O-N 3.19Å; N29-S31 PolarHBondContact OD1-N 3.47Å; N29-S31 PolarHBondContact OD1-OG 2.8Å; S31-Y34 PolarHBondContact O-N 3.18Å; S31-D35 PolarHBondContact O-N 3.08Å
32V97.2Very high96.4Very high17 Ų1764.1 Ų64.110%0.10333%0.326CS..Hα-helixtrans-71-37.7178.5166.50000110.9N29 E30 A36 V105 L108 A109N29-V32 HydrophobicContact CB-CB 4.16Å; N29-V32 HydrophobicContact CB-CG2 4.33Å; N29-V32 PolarHBondContact O-N 3.34Å; N29-V32 PolarHBondContact OD1-N 3.24Å; E30-V32 PolarHBondContact O-N 3.45Å; V32-A36 WeakPolarHBondContact O-CB 3.49Å; V32-A36 PolarHBondContact O-N 2.65Å; V32-V105 HydrophobicContact CB-CG1 4.46Å; V32-V105 HydrophobicContact CG1-CG1 3.64Å; V32-V105 VanDerWaalsContact CG1-O 3.29Å; V32-V105 WeakPolarHBondContact CG1-O 3.47Å; V32-V105 HydrophobicContact CG2-CG1 4.27Å; V32-L108 HydrophobicContact CG1-CB 4.31Å; V32-L108 HydrophobicContact CG1-CD2 4.32Å; V32-L108 HydrophobicContact CG1-CG 4.27Å; V32-L108 HydrophobicContact CG2-CD2 4.15Å; V32-A109 HydrophobicContact CG1-CB 3.77Å
33V97.5Very high96.6Very high14 Ų1460.3 Ų60.39%0.08531%0.313CS..Hα-helixtrans-62.9-46.4173.3173.30000110.4N29 E30 D35 A36 I37 V113 V183 V187N29-V33 WeakPolarHBondContact O-CG2 3.46Å; N29-V33 PolarHBondContact O-N 3.13Å; N29-V33 VanDerWaalsContact O-N 3.08Å; E30-V33 PolarHBondContact O-N 3.41Å; V33-D35 PolarHBondContact O-N 2.97Å; V33-A36 PolarHBondContact O-N 2.81Å; V33-I37 HydrophobicContact CG1-CD1 3.79Å; V33-I37 HydrophobicContact CG1-CG1 4.42Å; V33-I37 VanDerWaalsContact O-CG1 3.29Å; V33-I37 WeakPolarHBondContact O-CG1 3.47Å; V33-I37 PolarHBondContact O-N 3.1Å; V33-V113 HydrophobicContact CB-CG1 4.46Å; V33-V113 HydrophobicContact CG1-CG1 3.63Å; V33-V113 HydrophobicContact CG2-CG1 3.89Å; V33-V183 HydrophobicContact CG1-CG1 4.27Å; V33-V187 HydrophobicContact CG1-CG2 4.4Å
34Y98Very high96.7Very high151 Ų15166.4 Ų66.459%0.59235%0.345SS*.Hα-helixtrans-55.8-52175.7175.5-92.9000112E30 S31 A36 I37 V38E30-Y34 WeakPolarHBondContact O-CB 3.42Å; E30-Y34 PolarHBondContact O-N 2.98Å; S31-Y34 PolarHBondContact O-N 3.18Å; Y34-A36 VanDerWaalsContact C-N 3.29Å; Y34-A36 PolarHBondContact O-N 2.87Å; Y34-I37 PolarHBondContact O-N 3.31Å; Y34-V38 HydrophobicContact CD1-CG2 4.23Å; Y34-V38 HydrophobicContact CD2-CG2 4.48Å; Y34-V38 HydrophobicContact CE1-CG2 3.79Å; Y34-V38 HydrophobicContact CE2-CG2 4.08Å; Y34-V38 WeakPolarHBondContact O-CG2 3.2Å; Y34-V38 PolarHBondContact O-N 3.22Å
35D97.7Very high96.9Very high74 Ų7473.4 Ų73.440%0.39637%0.371SS..Hα-helixtrans-60.7-39.2179.9-80.5-17.5000112.1S31 V33 M39 L101S31-D35 PolarHBondContact O-N 3.08Å; V33-D35 PolarHBondContact O-N 2.97Å; D35-M39 WeakPolarHBondContact O-CB 3.38Å; D35-M39 PolarHBondContact O-N 3.4Å; D35-L101 HydrophobicContact CB-CD1 4.17Å
36A97.9Very high97.1Very high4 Ų479.3 Ų79.33%0.03339%0.388CS..Hα-helixtrans-64.7-42.6176.400000112V32 V33 Y34 M39 Q40 L101 A109 V183V32-A36 WeakPolarHBondContact O-CB 3.49Å; V32-A36 PolarHBondContact O-N 2.65Å; V33-A36 PolarHBondContact O-N 2.81Å; Y34-A36 VanDerWaalsContact C-N 3.29Å; Y34-A36 PolarHBondContact O-N 2.87Å; A36-M39 PolarHBondContact O-N 2.95Å; A36-Q40 WeakPolarHBondContact O-CB 3.29Å; A36-Q40 PolarHBondContact O-N 3.34Å; A36-L101 HydrophobicContact CB-CD1 4.34Å; A36-A109 HydrophobicContact CB-CB 3.7Å; A36-V183 HydrophobicContact CB-CB 4.46Å; A36-V183 HydrophobicContact CB-CG1 4.26Å; A36-V183 HydrophobicContact CB-CG2 4.26Å
37I97.7Very high97.2Very high40 Ų4077.7 Ų77.721%0.20538%0.382CS..Hα-helixtrans-62.5-49.4176.4-68.4165.3000110.5V33 Y34 M39 Q40 R41 V183 V187V33-I37 HydrophobicContact CG1-CD1 3.79Å; V33-I37 HydrophobicContact CG1-CG1 4.42Å; V33-I37 VanDerWaalsContact O-CG1 3.29Å; V33-I37 WeakPolarHBondContact O-CG1 3.47Å; V33-I37 PolarHBondContact O-N 3.1Å; Y34-I37 PolarHBondContact O-N 3.31Å; I37-M39 VanDerWaalsContact C-N 3.3Å; I37-M39 PolarHBondContact O-N 2.99Å; I37-Q40 PolarHBondContact O-N 3.46Å; I37-R41 HydrophobicContact CG2-CG 4.42Å; I37-R41 WeakPolarHBondContact O-CB 3.28Å; I37-R41 WeakPolarHBondContact O-CG 3.42Å; I37-R41 PolarHBondContact O-N 3.42Å; I37-V183 HydrophobicContact CG1-CG1 4.1Å; I37-V187 HydrophobicContact CD1-CB 4.45Å; I37-V187 HydrophobicContact CD1-CG1 4.05Å; I37-V187 HydrophobicContact CD1-CG2 4.22Å
38V97.8Very high97.3Very high54 Ų5474.2 Ų74.233%0.32737%0.373SS..Hα-helixtrans-61.3-43179.7178.40000110.3Y34 R41 A42 Y99Y34-V38 HydrophobicContact CD1-CG2 4.23Å; Y34-V38 HydrophobicContact CD2-CG2 4.48Å; Y34-V38 HydrophobicContact CE1-CG2 3.79Å; Y34-V38 HydrophobicContact CE2-CG2 4.08Å; Y34-V38 WeakPolarHBondContact O-CG2 3.2Å; Y34-V38 PolarHBondContact O-N 3.22Å; V38-R41 PolarHBondContact O-N 3.1Å; V38-A42 WeakPolarHBondContact O-CB 3.22Å; V38-A42 PolarHBondContact O-N 3.28Å; V38-Y99 WeakPolarHBondContact CG1-OH 3.38Å
39M98Very high97.4Very high24 Ų2474.6 Ų74.612%0.11837%0.37CS..Hα-helixtrans-61.6-48.2178.6-179-83.9-66.900112D35 A36 I37 A42 S43 Y99 L101D35-M39 WeakPolarHBondContact O-CB 3.38Å; D35-M39 PolarHBondContact O-N 3.4Å; A36-M39 PolarHBondContact O-N 2.95Å; I37-M39 VanDerWaalsContact C-N 3.3Å; I37-M39 PolarHBondContact O-N 2.99Å; M39-A42 PolarHBondContact O-N 3.32Å; M39-S43 VanDerWaalsContact O-CB 3.32Å; M39-S43 WeakPolarHBondContact O-CB 3.47Å; M39-S43 PolarHBondContact O-N 2.87Å; M39-S43 PolarHBondContact O-OG 3.08Å; M39-Y99 VanDerWaalsContact CA-OH 3.25Å; M39-Y99 WeakPolarHBondContact CA-OH 3.38Å; M39-Y99 HydrophobicContact CB-CD2 4.22Å; M39-Y99 HydrophobicContact CB-CE1 4.17Å; M39-Y99 HydrophobicContact CB-CE2 3.52Å; M39-Y99 VanDerWaalsContact CB-CZ 3.5Å; M39-Y99 HydrophobicContact CG-CD1 4.48Å; M39-Y99 HydrophobicContact CG-CD2 3.8Å; M39-Y99 HydrophobicContact CG-CE1 4.34Å; M39-Y99 HydrophobicContact CG-CE2 3.64Å; M39-Y99 HydrophobicContact CG-CG 4.24Å; M39-Y99 WeakPolarHBondContact CG-O 3.44Å; M39-Y99 PolarHBondContact N-OH 2.95Å; M39-Y99 VanDerWaalsContact N-OH 3.08Å; M39-Y99 VanDerWaalsContact SD-O 3.37Å; M39-L101 HydrophobicContact CB-CD1 4.26Å; M39-L101 HydrophobicContact CB-CG 4.39Å; M39-L101 HydrophobicContact CE-CD1 4.35Å; M39-L101 HydrophobicContact CE-CG 4.49Å; M39-L101 HydrophobicContact CG-CG 4.25Å
40Q97.1Very high97.4Very high41 Ų4175.3 Ų75.319%0.19238%0.384CS..Hα-helixtrans-65-45.9-179.1-170.5172.3-9.700110.8A36 I37 A42 S43 L44 T182 L184A36-Q40 WeakPolarHBondContact O-CB 3.29Å; A36-Q40 PolarHBondContact O-N 3.34Å; I37-Q40 PolarHBondContact O-N 3.46Å; Q40-A42 PolarHBondContact O-N 3.04Å; Q40-S43 PolarHBondContact O-N 3.48Å; Q40-L44 WeakPolarHBondContact O-CG 3.48Å; Q40-L44 PolarHBondContact O-N 2.46Å; Q40-T182 PolarHBondContact NE2-OG1 3.25Å; Q40-L184 HydrophobicContact CB-CD1 4.4Å; Q40-L184 HydrophobicContact CG-CB 4.16Å; Q40-L184 HydrophobicContact CG-CD1 4.06Å; Q40-L184 VanDerWaalsContact OE1-CB 3.26Å; Q40-L184 VanDerWaalsContact OE1-N 3.16Å
41R97.7Very high97.4Very high167 Ų16770.5 Ų70.563%0.6337%0.366SS*.Hα-helixtrans-64.2-38.7177-70.5-175.571.5143.42.5113.1I37 V38 S43 L184I37-R41 HydrophobicContact CG2-CG 4.42Å; I37-R41 WeakPolarHBondContact O-CB 3.28Å; I37-R41 WeakPolarHBondContact O-CG 3.42Å; I37-R41 PolarHBondContact O-N 3.42Å; V38-R41 PolarHBondContact O-N 3.1Å; R41-S43 VanDerWaalsContact C-N 3.34Å; R41-L184 HydrophobicContact CG-CD1 3.53Å
42A97.7Very high97.4Very high15 Ų1573.7 Ų73.712%0.12437%0.371CS..Hα-helixtrans-66.2-39.717600000111.3V38 M39 Q40 L44 R45 Y97 Y99V38-A42 WeakPolarHBondContact O-CB 3.22Å; V38-A42 PolarHBondContact O-N 3.28Å; M39-A42 PolarHBondContact O-N 3.32Å; Q40-A42 PolarHBondContact O-N 3.04Å; A42-L44 VanDerWaalsContact C-N 3.27Å; A42-L44 PolarHBondContact O-N 2.91Å; A42-R45 WeakPolarHBondContact O-CB 3.21Å; A42-R45 WeakPolarHBondContact O-CG 3.46Å; A42-R45 PolarHBondContact O-N 3.01Å; A42-R45 VanDerWaalsContact O-N 3.17Å; A42-Y97 VanDerWaalsContact O-CB 3.25Å; A42-Y97 WeakPolarHBondContact O-CB 3.27Å; A42-Y99 HydrophobicContact CB-CD1 4.46Å; A42-Y99 HydrophobicContact CB-CE1 3.92Å
43S97.5Very high97.4Very high47 Ų4776.8 Ų76.833%0.32939%0.387SS..Hα-helixtrans-68.9-21.8-179.1-600000113.9M39 Q40 R41 R45M39-S43 VanDerWaalsContact O-CB 3.32Å; M39-S43 WeakPolarHBondContact O-CB 3.47Å; M39-S43 PolarHBondContact O-N 2.87Å; M39-S43 PolarHBondContact O-OG 3.08Å; Q40-S43 PolarHBondContact O-N 3.48Å; R41-S43 VanDerWaalsContact C-N 3.34Å; S43-R45 VanDerWaalsContact C-N 3.26Å; S43-R45 PolarHBondContact O-N 3.06Å
44L96.8Very high97.2Very high127 Ų12784.6 Ų84.667%0.66542%0.415SS*.THydrogen-bonded Turntrans-76.8-7.2173.9-68.5170.8000113.8Q40 A42 L184Q40-L44 WeakPolarHBondContact O-CG 3.48Å; Q40-L44 PolarHBondContact O-N 2.46Å; A42-L44 VanDerWaalsContact C-N 3.27Å; A42-L44 PolarHBondContact O-N 2.91Å; L44-L184 HydrophobicContact CD1-CD1 4.35Å
45R97.6Very high97Very high151 Ų15181.4 Ų81.457%0.5741%0.414SS*.  trans-78.4132.3-179.3-63.5179.5175.1-173.1-1.3111.5A42 S43 Y97A42-R45 WeakPolarHBondContact O-CB 3.21Å; A42-R45 WeakPolarHBondContact O-CG 3.46Å; A42-R45 PolarHBondContact O-N 3.01Å; A42-R45 VanDerWaalsContact O-N 3.17Å; S43-R45 VanDerWaalsContact C-N 3.26Å; S43-R45 PolarHBondContact O-N 3.06Å; R45-Y97 HydrophobicContact CB-CD2 3.66Å; R45-Y97 HydrophobicContact CB-CE2 4.32Å; R45-Y97 HydrophobicContact CB-CG 4.11Å; R45-Y97 HydrophobicContact CG-CD2 4.44Å
46Q97.1Very high97Very high166 Ų16680.5 Ų80.578%0.77642%0.418SS*.  trans-73.8-32.4179.4-65.8-179-13.700114.6T48Q46-T48 HydrophobicContact CB-CG2 4.08Å; Q46-T48 PolarHBondContact O-N 3.31Å
47G96.4Very high96.9Very high9 Ų981.6 Ų81.69%0.09342%0.424CS..  trans70.527.7178.500000116H49 P94 R95G47-H49 VanDerWaalsContact C-N 3.33Å; G47-H49 PolarHBondContact O-N 3.17Å; G47-P94 WeakPolarHBondContact O-CA 3.49Å; G47-P94 WeakPolarHBondContact O-CB 3.42Å; G47-R95 WeakPolarHBondContact CA-O 3.43Å; G47-R95 PolarHBondContact O-N 3.06Å
48T97.4Very high96.7Very high108 Ų10891.3 Ų91.366%0.66346%0.458SS*.  trans-86.710.5-17449.10000115.3Q46Q46-T48 HydrophobicContact CB-CG2 4.08Å; Q46-T48 PolarHBondContact O-N 3.31Å
49H96.8Very high96.5Very high59 Ų5990.5 Ų90.527%0.27346%0.461SS..  trans-76.7135.3179.350.5-96.5000111.2G47 P92 T93 P94 Y97G47-H49 VanDerWaalsContact C-N 3.33Å; G47-H49 PolarHBondContact O-N 3.17Å; H49-P92 HydrophobicContact CB-CB 4.32Å; H49-P92 VanDerWaalsContact CD2-CB 3.41Å; H49-P92 WeakPolarHBondContact CD2-CB 3.49Å; H49-T93 PolarHBondContact CD2-O 2.8Å; H49-T93 PolarHBondContact NE2-O 3.23Å; H49-T93 CarbonylContact O-C 3.56Å; H49-P94 WeakPolarHBondContact O-CD 3.33Å; H49-P94 WeakPolarHBondContact O-CG 3.43Å; H49-P94 VanDerWaalsContact O-N 3.09Å; H49-Y97 AromaticContact CE1-CE2 3.67Å; H49-Y97 AromaticContact CE1-CZ 3.73Å; H49-Y97 PolarHBondContact CE1-OH 3.05Å
50A97.4Very high96Very high71 Ų7190.6 Ų90.659%0.58747%0.468SS*.  trans-149.9145.4176.600000111.2P92 P94A50-P92 WeakPolarHBondContact CA-O 3.48Å; A50-P94 HydrophobicContact CB-CG 3.89Å
51V97.3Very high95.4Very high69 Ų6992.6 Ų92.642%0.41850%0.499SS..  trans-130.9146.4172-177.40000110.3N53 V88 P92V51-N53 PolarHBondContact O-N 2.92Å; V51-V88 HydrophobicContact CG1-CB 3.49Å; V51-V88 VanDerWaalsContact CG1-CB 3.49Å; V51-V88 HydrophobicContact CG1-CG1 4.13Å; V51-V88 HydrophobicContact CG1-CG2 3.45Å; V51-V88 VanDerWaalsContact CG1-CG2 3.45Å; V51-P92 HydrophobicContact CG2-CG 3.8Å; V51-P92 PolarHBondContact N-O 3.49Å
52K97.1Very high95.1Very high139 Ų13995.1 Ų95.160%0.60451%0.509SS*.  trans-76.3121.4176.3-66.8179.6-178.6177.80110.6A56 V57 V88K52-A56 HydrophobicContact CB-CB 4.02Å; K52-A56 HydrophobicContact CG-CB 4.16Å; K52-V57 HydrophobicContact CB-CG2 3.8Å; K52-V88 PolarHBondContact O-N 2.91Å; K52-V88 VanDerWaalsContact O-N 3.13Å
53N96.4Very high94.9Very high83 Ų8398.2 Ų98.244%0.44452%0.52SS..  trans-74.6174.7165.966.811.1000110.8V51 S55 A56 V57V51-N53 PolarHBondContact O-N 2.92Å; N53-S55 PolarHBondContact ND2-OG 3.06Å; N53-S55 PolarHBondContact O-N 2.94Å; N53-S55 VanDerWaalsContact O-N 3.12Å; N53-S55 PolarHBondContact OD1-N 2.83Å; N53-S55 PolarHBondContact OD1-OG 3.11Å; N53-A56 PolarHBondContact O-N 3.28Å; N53-A56 WeakPolarHBondContact OD1-CB 3.46Å; N53-A56 PolarHBondContact OD1-N 2.84Å; N53-V57 PolarHBondContact O-N 3.21Å; N53-V57 VanDerWaalsContact O-N 3.15Å
54R94.1Very high94.7Very high177 Ų17798.1 Ų98.167%0.66852%0.518SS*.THydrogen-bonded Turntrans-57.9-27.7-176.774.2178.9-163-175.42.9114.6R79R54-R79 WeakPolarHBondContact O-CD 3.33Å
55S94.6Very high94.7Very high84 Ų8494.4 Ų94.459%0.58750%0.495SS*.THydrogen-bonded Turntrans-78.8-32.2178.547.50000111.9N53 R79N53-S55 PolarHBondContact ND2-OG 3.06Å; N53-S55 PolarHBondContact O-N 2.94Å; N53-S55 VanDerWaalsContact O-N 3.12Å; N53-S55 PolarHBondContact OD1-N 2.83Å; N53-S55 PolarHBondContact OD1-OG 3.11Å; S55-R79 PolarHBondContact O-NH1 2.73Å; S55-R79 VanDerWaalsContact O-NH1 3.1Å
56A96Very high94.5Very high56 Ų5695.4 Ų95.446%0.46350%0.499SS..THydrogen-bonded Turntrans-84.2-19179.600000115K52 N53K52-A56 HydrophobicContact CB-CB 4.02Å; K52-A56 HydrophobicContact CG-CB 4.16Å; N53-A56 PolarHBondContact O-N 3.28Å; N53-A56 WeakPolarHBondContact OD1-CB 3.46Å; N53-A56 PolarHBondContact OD1-N 2.84Å
57V95.6Very high94.4Very high27 Ų2792.5 Ų92.516%0.16449%0.485CS..SBendtrans-70.5134.3173173.80000110.3K52 N53 R79K52-V57 HydrophobicContact CB-CG2 3.8Å; N53-V57 PolarHBondContact O-N 3.21Å; N53-V57 VanDerWaalsContact O-N 3.15Å; V57-R79 HydrophobicContact CG1-CG 4.47Å; V57-R79 WeakPolarHBondContact O-CD 3.25Å; V57-R79 PolarHBondContact O-NE 3.08Å; V57-R79 PolarHBondContact O-NH1 2.96Å; V57-R79 PolarHBondContact O-NH2 3.49Å
58R94.7Very high94.4Very high243 Ų243100.4 Ų100.492%0.91752%0.517SS*.SBendtrans-70.2140.7176.1-173.6-178.6179.5-163.51.1111.1
59G92.5Very high94.2Very high38 Ų3898.1 Ų98.139%0.39252%0.515SS..SBendtrans128-146.6176.200000114.3R79G59-R79 PolarHBondContact O-NE 3.19Å; G59-R79 PolarHBondContact O-NH2 3Å
60G89Confident94.1Very high26 Ų2698 Ų9827%0.26852%0.518SS..  trans58.6-154.3166.500000117.1R62G60-R62 VanDerWaalsContact C-N 3.33Å; G60-R62 PolarHBondContact O-N 3.4Å
61G83.7Confident94Very high83 Ų8398.8 Ų98.886%0.85653%0.534SS*.  trans89.7-50.5178.600000114
62R90.9Very high93.9Very high220 Ų220104 Ų10483%0.8355%0.546SS*.SBendtrans-89.1138.6173.4-173.1176.8175.2177.40.3110.8G60G60-R62 VanDerWaalsContact C-N 3.33Å; G60-R62 PolarHBondContact O-N 3.4Å
63K94Very high93.8Very high80 Ų80100.8 Ų100.835%0.34855%0.546SS..  trans-60.8125.6169.9-165.7-178180141.20109.7W65 Q75K63-W65 WeakPolarHBondContact CD-O 3.36Å; K63-W65 WeakPolarHBondContact CE-O 3.4Å; K63-W65 VanDerWaalsContact CG-O 3.23Å; K63-W65 WeakPolarHBondContact CG-O 3.45Å; K63-W65 PolarHBondContact O-N 2.97Å; K63-Q75 VanDerWaalsContact CE-O 3.28Å; K63-Q75 WeakPolarHBondContact CE-O 3.46Å; K63-Q75 VanDerWaalsContact CG-O 3.28Å; K63-Q75 WeakPolarHBondContact CG-O 3.38Å
64P93.8Very high93.8Very high45 Ų45106.2 Ų106.229%0.29256%0.56SS.*SBendtrans-58.2-33.9-175.3-28.536.8000114.2Q75 I78P64-Q75 HydrophobicContact CG-CB 4.17Å; P64-I78 HydrophobicContact CB-CG2 4.43Å; P64-I78 HydrophobicContact CG-CG2 3.78Å
65W95.5Very high93.8Very high49 Ų4999.2 Ų99.219%0.18654%0.535CS..SBendtrans-156.6164.4173.949.485.7000111.7K63 T70 R72 A73 Q75 W83K63-W65 WeakPolarHBondContact CD-O 3.36Å; K63-W65 WeakPolarHBondContact CE-O 3.4Å; K63-W65 VanDerWaalsContact CG-O 3.23Å; K63-W65 WeakPolarHBondContact CG-O 3.45Å; K63-W65 PolarHBondContact O-N 2.97Å; W65-T70 HydrophobicContact CB-CG2 4.29Å; W65-R72 HydrophobicContact CZ2-CB 4.17Å; W65-A73 VanDerWaalsContact CE2-O 3.27Å; W65-A73 WeakPolarHBondContact CZ2-O 3.43Å; W65-A73 PolarHBondContact NE1-O 3.42Å; W65-Q75 HydrophobicContact CH2-CB 4.22Å; W65-Q75 HydrophobicContact CH2-CG 3.63Å; W65-Q75 HydrophobicContact CZ2-CB 3.8Å; W65-Q75 HydrophobicContact CZ2-CG 3.19Å; W65-W83 AromaticContact CH2-CH2 3.64Å; W65-W83 HydrophobicContact CH2-CH2 3.64Å; W65-W83 AromaticContact CH2-CZ2 3.72Å; W65-W83 HydrophobicContact CH2-CZ2 3.72Å; W65-W83 AromaticContact CZ3-CH2 3.91Å; W65-W83 HydrophobicContact CZ3-CH2 3.91Å; W65-W83 HydrophobicContact CZ3-CZ2 4.14Å
66R95.1Very high93.8Very high172 Ų17297.7 Ų97.765%0.64953%0.533SS*.  trans-58.2155.3178.357.6173.3-176.5-174.11.5112.8K68 G69 T70R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 WeakPolarHBondContact CD-O 3.5Å; R66-K68 WeakPolarHBondContact CG-O 3.35Å; R66-K68 PolarHBondContact NE-O 3.18Å; R66-K68 PolarHBondContact O-N 3.18Å; R66-G69 PolarHBondContact NE-O 2.83Å; R66-G69 PolarHBondContact NH2-O 2.62Å; R66-T70 HydrophobicContact CG-CG2 3.81Å
67Q94.9Very high93.7Very high105 Ų10596.3 Ų96.349%0.49152%0.519SS..SBendtrans-65.1-32-173.3-175.963.510.800114.1
68K94.8Very high93.7Very high175 Ų17599.2 Ų99.276%0.76153%0.533SS*.SBendtrans-135.8159-178.6-63.1-174.9179.1-178.10109.9R66R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 WeakPolarHBondContact CD-O 3.5Å; R66-K68 WeakPolarHBondContact CG-O 3.35Å; R66-K68 PolarHBondContact NE-O 3.18Å; R66-K68 PolarHBondContact O-N 3.18Å
69G94.9Very high93.8Very high60 Ų6090.6 Ų90.662%0.61950%0.5SS*.SBendtrans86.623.8172.500000116.5R66R66-G69 PolarHBondContact NE-O 2.83Å; R66-G69 PolarHBondContact NH2-O 2.62Å
70T93.6Very high93.8Very high55 Ų5589.6 Ų89.634%0.33749%0.488SS..SBendtrans-121.9-10.6176.657.70000114.7W65 R66 R72W65-T70 HydrophobicContact CB-CG2 4.29Å; R66-T70 HydrophobicContact CG-CG2 3.81Å; T70-R72 PolarHBondContact O-N 3.1Å; T70-R72 VanDerWaalsContact O-N 3.14Å; T70-R72 PolarHBondContact OG1-N 3.41Å
71G95Very high94.2Very high89 Ų8991.5 Ų91.592%0.91850%0.495SS*.SBendtrans69.4-2.1-172.200000115.2
72R95.3Very high94.7Very high177 Ų17793.5 Ų93.567%0.66848%0.482SS*.SBendtrans-98.7157.9-179.5-62.1-179.5121.5176.81.9111.6W65 T70W65-R72 HydrophobicContact CZ2-CB 4.17Å; T70-R72 PolarHBondContact O-N 3.1Å; T70-R72 VanDerWaalsContact O-N 3.14Å; T70-R72 PolarHBondContact OG1-N 3.41Å
73A95.7Very high94.9Very high73 Ų7387 Ų8760%0.60346%0.458SS*.PPolyproline II helixtrans-56.4146172.800000112.1W65W65-A73 VanDerWaalsContact CE2-O 3.27Å; W65-A73 WeakPolarHBondContact CZ2-O 3.43Å; W65-A73 PolarHBondContact NE1-O 3.42Å
74R95.5Very high94.9Very high197 Ų19795.2 Ų95.274%0.74349%0.487SS*.PPolyproline II helixtrans-65.9134.1179.362.4-173.9177175.3-1.3111.7
75Q95.3Very high94.9Very high29 Ų2996.1 Ų96.114%0.13650%0.504CS..  trans-136.7140179.7-65.6-66.4-20.500111.5K63 P64 W65 W83K63-Q75 VanDerWaalsContact CE-O 3.28Å; K63-Q75 WeakPolarHBondContact CE-O 3.46Å; K63-Q75 VanDerWaalsContact CG-O 3.28Å; K63-Q75 WeakPolarHBondContact CG-O 3.38Å; P64-Q75 HydrophobicContact CG-CB 4.17Å; W65-Q75 HydrophobicContact CH2-CB 4.22Å; W65-Q75 HydrophobicContact CH2-CG 3.63Å; W65-Q75 HydrophobicContact CZ2-CB 3.8Å; W65-Q75 HydrophobicContact CZ2-CG 3.19Å; Q75-W83 HydrophobicContact CB-CZ2 4.35Å; Q75-W83 HydrophobicContact CG-CZ2 3.78Å
76G94.3Very high94.9Very high53 Ų5394.7 Ų94.755%0.54650%0.504SS..SBendtrans-100-34.9178.400000113.9
77S94.6Very high94.9Very high26 Ų2686.6 Ų86.618%0.18248%0.475CS..  trans-158.4151.7-176.9178.70000109.7R79 S80 W83S77-R79 PolarHBondContact O-N 3.3Å; S77-R79 PolarHBondContact OG-N 3.02Å; S77-R79 VanDerWaalsContact OG-N 3.13Å; S77-S80 PolarHBondContact O-OG 3.45Å; S77-W83 PolarHBondContact O-NE1 3.14Å
78I95Very high95Very high88 Ų8885.2 Ų85.245%0.45147%0.473SS..THydrogen-bonded Turntrans-74-11.4169.662.8171.7000113P64 S80 W83P64-I78 HydrophobicContact CB-CG2 4.43Å; P64-I78 HydrophobicContact CG-CG2 3.78Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-W83 WeakPolarHBondContact O-CB 3.33Å
79R95.7Very high95.1Very high62 Ų6280.8 Ų80.823%0.23446%0.461CS..THydrogen-bonded Turntrans-86.91.7177.9-57.7-177-169.6-175.9-3.9113.4R54 S55 V57 G59 S77 G87R54-R79 WeakPolarHBondContact O-CD 3.33Å; S55-R79 PolarHBondContact O-NH1 2.73Å; S55-R79 VanDerWaalsContact O-NH1 3.1Å; V57-R79 HydrophobicContact CG1-CG 4.47Å; V57-R79 WeakPolarHBondContact O-CD 3.25Å; V57-R79 PolarHBondContact O-NE 3.08Å; V57-R79 PolarHBondContact O-NH1 2.96Å; V57-R79 PolarHBondContact O-NH2 3.49Å; G59-R79 PolarHBondContact O-NE 3.19Å; G59-R79 PolarHBondContact O-NH2 3Å; S77-R79 PolarHBondContact O-N 3.3Å; S77-R79 PolarHBondContact OG-N 3.02Å; S77-R79 VanDerWaalsContact OG-N 3.13Å; R79-G87 PolarHBondContact O-N 3.01Å
80S94.2Very high95.2Very high18 Ų1887.9 Ų87.913%0.12648%0.475CS..SBendtrans-70.5153.9-177.4-57.10000111.4S77 I78 Q82 W83S77-S80 PolarHBondContact O-OG 3.45Å; I78-S80 VanDerWaalsContact C-N 3.31Å; S80-Q82 VanDerWaalsContact C-N 3.27Å; S80-Q82 PolarHBondContact O-N 3.15Å; S80-W83 WeakPolarHBondContact O-CB 3.37Å; S80-W83 PolarHBondContact O-N 2.83Å
81P96.1Very high95.3Very high66 Ų6686.3 Ų86.343%0.42947%0.47SS..THydrogen-bonded Turntrans-61.8-29.1-168.6-22.933.5000115.3W83 G87 V89P81-W83 PolarHBondContact O-N 3.44Å; P81-G87 WeakPolarHBondContact CA-O 3.38Å; P81-V89 HydrophobicContact CB-CG2 3.59Å; P81-V89 HydrophobicContact CG-CG2 3.1Å
82Q94.4Very high95.4Very high124 Ų12485.3 Ų85.358%0.57945%0.447SS*.THydrogen-bonded Turntrans-70.5-14.1177.869.7-84.414.200113.7S80S80-Q82 VanDerWaalsContact C-N 3.27Å; S80-Q82 PolarHBondContact O-N 3.15Å
83W94.5Very high95.5Very high85 Ų8581.3 Ų81.332%0.32244%0.442SS..SBendtrans-87144.1179.3-7195.7000111.3W65 Q75 S77 I78 S80 P81 G85 G86W65-W83 AromaticContact CH2-CH2 3.64Å; W65-W83 HydrophobicContact CH2-CH2 3.64Å; W65-W83 AromaticContact CH2-CZ2 3.72Å; W65-W83 HydrophobicContact CH2-CZ2 3.72Å; W65-W83 AromaticContact CZ3-CH2 3.91Å; W65-W83 HydrophobicContact CZ3-CH2 3.91Å; W65-W83 HydrophobicContact CZ3-CZ2 4.14Å; Q75-W83 HydrophobicContact CB-CZ2 4.35Å; Q75-W83 HydrophobicContact CG-CZ2 3.78Å; S77-W83 PolarHBondContact O-NE1 3.14Å; I78-W83 WeakPolarHBondContact O-CB 3.33Å; S80-W83 WeakPolarHBondContact O-CB 3.37Å; S80-W83 PolarHBondContact O-N 2.83Å; P81-W83 PolarHBondContact O-N 3.44Å; W83-G85 PolarHBondContact O-N 2.9Å; W83-G86 PolarHBondContact O-N 2.81Å
84R95Very high95.6Very high252 Ų25281.9 Ų81.995%0.95144%0.44SS*.THydrogen-bonded Turntrans-59.3127165.3-175.3-174.5-67.9-173.3-1.4109G86R84-G86 PolarHBondContact O-N 2.8Å
85G93.8Very high95.6Very high64 Ų6479.7 Ų79.766%0.6643%0.432SS*.THydrogen-bonded Turntrans76.67.9-174.500000114.5W83W83-G85 PolarHBondContact O-N 2.9Å
86G94.5Very high95.7Very high18 Ų1882.6 Ų82.619%0.18646%0.455CS..PPolyproline II helixtrans-66.7167.517000000112.8W83 R84W83-G86 PolarHBondContact O-N 2.81Å; R84-G86 PolarHBondContact O-N 2.8Å
87G95.9Very high95.9Very high3 Ų382.6 Ų82.63%0.03144%0.439CS..PPolyproline II helixtrans-73.315217400000112.4R79 P81R79-G87 PolarHBondContact O-N 3.01Å; P81-G87 WeakPolarHBondContact CA-O 3.38Å
88V97Very high96Very high75 Ų7584.7 Ų84.746%0.45545%0.454SS..PPolyproline II helixtrans-85.5138.9178-179.60000110.3V51 K52V51-V88 HydrophobicContact CG1-CB 3.49Å; V51-V88 VanDerWaalsContact CG1-CB 3.49Å; V51-V88 HydrophobicContact CG1-CG1 4.13Å; V51-V88 HydrophobicContact CG1-CG2 3.45Å; V51-V88 VanDerWaalsContact CG1-CG2 3.45Å; K52-V88 PolarHBondContact O-N 2.91Å; K52-V88 VanDerWaalsContact O-N 3.13Å
89V96.8Very high96.2Very high83 Ų8384.8 Ų84.850%0.50345%0.449SS..SBendtrans-90.4128.3175.8-173.70000109P81 G91P81-V89 HydrophobicContact CB-CG2 3.59Å; P81-V89 HydrophobicContact CG-CG2 3.1Å; V89-G91 PolarHBondContact O-N 2.79Å; V89-G91 VanDerWaalsContact O-N 3.13Å
90F96.5Very high96.2Very high209 Ų20991.1 Ų91.192%0.91748%0.478SS*.SBendtrans49.438.6178.3-53.1-50.5000114.2
91G96.2Very high96.3Very high22 Ų2291.8 Ų91.823%0.22748%0.48CS..  trans-64.7165.9171.100000112V89 T93V89-G91 PolarHBondContact O-N 2.79Å; V89-G91 VanDerWaalsContact O-N 3.13Å; G91-T93 PolarHBondContact O-N 3.08Å
92P97.4Very high96.4Very high67 Ų6792.6 Ų92.644%0.43549%0.486SS..  trans-61.5137.6178.830.7-38.1000110.2H49 A50 V51H49-P92 HydrophobicContact CB-CB 4.32Å; H49-P92 VanDerWaalsContact CD2-CB 3.41Å; H49-P92 WeakPolarHBondContact CD2-CB 3.49Å; A50-P92 WeakPolarHBondContact CA-O 3.48Å; V51-P92 HydrophobicContact CG2-CG 3.8Å; V51-P92 PolarHBondContact N-O 3.49Å
93T96.3Very high96.5Very high94 Ų9495 Ų9558%0.57749%0.494SS*.  trans-123143.3-179.448.30000109.8H49 G91 R95H49-T93 PolarHBondContact CD2-O 2.8Å; H49-T93 PolarHBondContact NE2-O 3.23Å; H49-T93 CarbonylContact O-C 3.56Å; G91-T93 PolarHBondContact O-N 3.08Å; T93-R95 PolarHBondContact O-N 2.84Å
94P97.6Very high96.5Very high85 Ų8599.6 Ų99.655%0.55252%0.516SS*.  trans-56.7129.6-178.9-25.934.3000111.3G47 H49 A50G47-P94 WeakPolarHBondContact O-CA 3.49Å; G47-P94 WeakPolarHBondContact O-CB 3.42Å; H49-P94 WeakPolarHBondContact O-CD 3.33Å; H49-P94 WeakPolarHBondContact O-CG 3.43Å; H49-P94 VanDerWaalsContact O-N 3.09Å; A50-P94 HydrophobicContact CB-CG 3.89Å
95R96.9Very high96.6Very high151 Ų15189.5 Ų89.557%0.5748%0.482SS*.  trans-152.6154-17965.9179.9-179.6170.8-1.6111.1G47 T93 Y97G47-R95 WeakPolarHBondContact CA-O 3.43Å; G47-R95 PolarHBondContact O-N 3.06Å; T93-R95 PolarHBondContact O-N 2.84Å; R95-Y97 HydrophobicContact CG-CE2 4.2Å
96S97.3Very high96.7Very high89 Ų8992.7 Ų92.762%0.62248%0.475SS*.  trans-77.7140.1165.5-172.60000110.5S98S96-S98 PolarHBondContact OG-N 3.45Å; S96-S98 VanDerWaalsContact OG-N 3.14Å; S96-S98 PolarHBondContact OG-OG 2.95Å
97Y97.8Very high96.7Very high53 Ų5397.4 Ų97.421%0.20849%0.487CS..  trans-100.8-4.7169.5-68.3-89.2000112.5A42 R45 H49 R95A42-Y97 VanDerWaalsContact O-CB 3.25Å; A42-Y97 WeakPolarHBondContact O-CB 3.27Å; R45-Y97 HydrophobicContact CB-CD2 3.66Å; R45-Y97 HydrophobicContact CB-CE2 4.32Å; R45-Y97 HydrophobicContact CB-CG 4.11Å; R45-Y97 HydrophobicContact CG-CD2 4.44Å; H49-Y97 AromaticContact CE1-CE2 3.67Å; H49-Y97 AromaticContact CE1-CZ 3.73Å; H49-Y97 PolarHBondContact CE1-OH 3.05Å; R95-Y97 HydrophobicContact CG-CE2 4.2Å
98S97.5Very high96.7Very high71 Ų71100.2 Ų100.250%0.49750%0.501SS..  trans-69.9135.6-176.667.40000111.1S96S96-S98 PolarHBondContact OG-N 3.45Å; S96-S98 VanDerWaalsContact OG-N 3.14Å; S96-S98 PolarHBondContact OG-OG 2.95Å
99Y97.8Very high96.8Very high90 Ų9096.7 Ų96.735%0.35348%0.479SS..  trans-138.7161166.362.5-83.1000108.9V38 M39 A42 L101V38-Y99 WeakPolarHBondContact CG1-OH 3.38Å; M39-Y99 VanDerWaalsContact CA-OH 3.25Å; M39-Y99 WeakPolarHBondContact CA-OH 3.38Å; M39-Y99 HydrophobicContact CB-CD2 4.22Å; M39-Y99 HydrophobicContact CB-CE1 4.17Å; M39-Y99 HydrophobicContact CB-CE2 3.52Å; M39-Y99 VanDerWaalsContact CB-CZ 3.5Å; M39-Y99 HydrophobicContact CG-CD1 4.48Å; M39-Y99 HydrophobicContact CG-CD2 3.8Å; M39-Y99 HydrophobicContact CG-CE1 4.34Å; M39-Y99 HydrophobicContact CG-CE2 3.64Å; M39-Y99 HydrophobicContact CG-CG 4.24Å; M39-Y99 WeakPolarHBondContact CG-O 3.44Å; M39-Y99 PolarHBondContact N-OH 2.95Å; M39-Y99 VanDerWaalsContact N-OH 3.08Å; M39-Y99 VanDerWaalsContact SD-O 3.37Å; A42-Y99 HydrophobicContact CB-CD1 4.46Å; A42-Y99 HydrophobicContact CB-CE1 3.92Å; Y99-L101 HydrophobicContact CE2-CD2 4.33Å
100K97.2Very high96.7Very high195 Ų19594.2 Ų94.285%0.84846%0.463SS*.  trans-117.9137.1-176.8-68.1-178179.1178.70110.1
101L96.6Very high96.7Very high31 Ų3185.8 Ų85.816%0.16243%0.426CS..  trans-89.7153.8170-64.9175.6000110.8D35 A36 M39 Y99 V105 R106D35-L101 HydrophobicContact CB-CD1 4.17Å; A36-L101 HydrophobicContact CB-CD1 4.34Å; M39-L101 HydrophobicContact CB-CD1 4.26Å; M39-L101 HydrophobicContact CB-CG 4.39Å; M39-L101 HydrophobicContact CE-CD1 4.35Å; M39-L101 HydrophobicContact CE-CG 4.49Å; M39-L101 HydrophobicContact CG-CG 4.25Å; Y99-L101 HydrophobicContact CE2-CD2 4.33Å; L101-V105 HydrophobicContact CB-CG1 4.42Å; L101-V105 HydrophobicContact CD1-CG1 4.21Å; L101-R106 HydrophobicContact CB-CG 3.91Å
102P97.8Very high96.7Very high84 Ų8484.8 Ų84.855%0.54542%0.415SS..  trans-54.2145.4172.5-24.233.7000112K104 V105 R106P102-K104 VanDerWaalsContact C-N 3.26Å; P102-K104 PolarHBondContact O-N 3.5Å; P102-V105 HydrophobicContact CB-CG2 4.12Å; P102-V105 HydrophobicContact CG-CG2 4.2Å; P102-V105 WeakPolarHBondContact O-CB 3.39Å; P102-V105 PolarHBondContact O-N 2.89Å; P102-V105 VanDerWaalsContact O-N 3.08Å; P102-R106 PolarHBondContact O-N 3.25Å; P102-R106 VanDerWaalsContact O-N 3.11Å
103K95.6Very high96.7Very high173 Ų17381.7 Ų81.775%0.75240%0.395SS*.Hα-helixtrans-55.3-39.9-176.9-68.4-174.4178.7-176.80113R106 R107K103-R106 PolarHBondContact O-N 2.84Å; K103-R107 PolarHBondContact O-N 3.21Å
104K96Very high96.7Very high182 Ų18277.4 Ų77.479%0.79137%0.369SS*.Hα-helixtrans-60.9-44.1178-66.4-172.7177.1-173.60112.2P102 R107 L108P102-K104 VanDerWaalsContact C-N 3.26Å; P102-K104 PolarHBondContact O-N 3.5Å; K104-R107 PolarHBondContact O-N 3.39Å; K104-L108 WeakPolarHBondContact O-CB 3.26Å; K104-L108 PolarHBondContact O-N 3.38Å
105V96.5Very high96.6Very high40 Ų4073.6 Ų73.624%0.24234%0.344CS..Hα-helixtrans-64.2-42.2178.1178.80000110.6V32 L101 P102 L108 A109V32-V105 HydrophobicContact CB-CG1 4.46Å; V32-V105 HydrophobicContact CG1-CG1 3.64Å; V32-V105 VanDerWaalsContact CG1-O 3.29Å; V32-V105 WeakPolarHBondContact CG1-O 3.47Å; V32-V105 HydrophobicContact CG2-CG1 4.27Å; L101-V105 HydrophobicContact CB-CG1 4.42Å; L101-V105 HydrophobicContact CD1-CG1 4.21Å; P102-V105 HydrophobicContact CB-CG2 4.12Å; P102-V105 HydrophobicContact CG-CG2 4.2Å; P102-V105 WeakPolarHBondContact O-CB 3.39Å; P102-V105 PolarHBondContact O-N 2.89Å; P102-V105 VanDerWaalsContact O-N 3.08Å; V105-L108 PolarHBondContact O-N 3.43Å; V105-A109 PolarHBondContact O-N 3.22Å
106R95.4Very high96.6Very high131 Ų13170.4 Ų70.449%0.49434%0.336SS..Hα-helixtrans-63.6-43.4177.3-66.417861.5-161-4112.8L101 P102 K103 A109 I110L101-R106 HydrophobicContact CB-CG 3.91Å; P102-R106 PolarHBondContact O-N 3.25Å; P102-R106 VanDerWaalsContact O-N 3.11Å; K103-R106 PolarHBondContact O-N 2.84Å; R106-A109 PolarHBondContact O-N 3.09Å; R106-I110 PolarHBondContact O-N 3.37Å
107R95.1Very high96.5Very high118 Ų11867.3 Ų67.345%0.44531%0.311SS..Hα-helixtrans-63.9-44.4176-74.9-174.3173.4-158.6-7.5111.1K103 K104 A109 I110 K111 A207K103-R107 PolarHBondContact O-N 3.21Å; K104-R107 PolarHBondContact O-N 3.39Å; R107-A109 VanDerWaalsContact C-N 3.33Å; R107-A109 PolarHBondContact O-N 3.5Å; R107-I110 PolarHBondContact O-N 3.04Å; R107-K111 WeakPolarHBondContact O-CG 3.39Å; R107-K111 PolarHBondContact O-N 3.03Å; R107-A207 PolarHBondContact NH1-OXT 2.74Å
108L96.5Very high96.4Very high62 Ų6265.5 Ų65.533%0.32531%0.305SS..Hα-helixtrans-58.5-45.5176.2-179.161.6000111.4I26 N29 V32 K104 V105 I110 K111 S112I26-L108 HydrophobicContact CD1-CD1 3.79Å; N29-L108 HydrophobicContact CB-CD2 4.33Å; V32-L108 HydrophobicContact CG1-CB 4.31Å; V32-L108 HydrophobicContact CG1-CD2 4.32Å; V32-L108 HydrophobicContact CG1-CG 4.27Å; V32-L108 HydrophobicContact CG2-CD2 4.15Å; K104-L108 WeakPolarHBondContact O-CB 3.26Å; K104-L108 PolarHBondContact O-N 3.38Å; V105-L108 PolarHBondContact O-N 3.43Å; L108-I110 PolarHBondContact O-N 3.25Å; L108-K111 PolarHBondContact O-N 2.62Å; L108-S112 WeakPolarHBondContact O-CB 3.48Å; L108-S112 PolarHBondContact O-N 3.37Å; L108-S112 PolarHBondContact O-OG 3.08Å
109A97.3Very high96.2Very high0 Ų065.9 Ų65.90%031%0.313CS..Hα-helixtrans-55.6-49.4178.100000112.2V32 A36 V105 R106 R107 S112 V113 V183V32-A109 HydrophobicContact CG1-CB 3.77Å; A36-A109 HydrophobicContact CB-CB 3.7Å; V105-A109 PolarHBondContact O-N 3.22Å; R106-A109 PolarHBondContact O-N 3.09Å; R107-A109 VanDerWaalsContact C-N 3.33Å; R107-A109 PolarHBondContact O-N 3.5Å; A109-S112 PolarHBondContact O-N 3.39Å; A109-V113 VanDerWaalsContact O-CG2 3.3Å; A109-V113 WeakPolarHBondContact O-CG2 3.32Å; A109-V113 PolarHBondContact O-N 3.46Å; A109-V113 VanDerWaalsContact O-N 3.12Å; A109-V183 HydrophobicContact CB-CG2 3.88Å
110I96Very high96.1Very high32 Ų3266.5 Ų66.516%0.16432%0.319CS..Hα-helixtrans-63-46.3179.6-64.3171.3000110.9R106 R107 L108 S112 V113 L114 V183 L206R106-I110 PolarHBondContact O-N 3.37Å; R107-I110 PolarHBondContact O-N 3.04Å; L108-I110 PolarHBondContact O-N 3.25Å; I110-S112 VanDerWaalsContact C-N 3.28Å; I110-S112 PolarHBondContact O-N 2.85Å; I110-V113 WeakPolarHBondContact O-CG2 3.46Å; I110-V113 PolarHBondContact O-N 2.92Å; I110-L114 HydrophobicContact CG2-CD1 3.89Å; I110-L114 HydrophobicContact CG2-CG 4.34Å; I110-L114 WeakPolarHBondContact O-CG 3.46Å; I110-L114 PolarHBondContact O-N 3.17Å; I110-V183 HydrophobicContact CB-CG2 4.47Å; I110-V183 HydrophobicContact CG1-CG2 3.53Å; I110-L206 HydrophobicContact CB-CD2 4.49Å; I110-L206 HydrophobicContact CG2-CD1 3.79Å; I110-L206 HydrophobicContact CG2-CD2 4.13Å
111K96.1Very high95.9Very high32 Ų3263.9 Ų63.914%0.13932%0.315CS..Hα-helixtrans-59.3-40176.9-68.6-179.2169.9-146.60111.7E22 I23 I26 R107 L108 L114 S115 L206E22-K111 WeakPolarHBondContact O-CD 3.36Å; E22-K111 WeakPolarHBondContact O-CE 3.49Å; E22-K111 PolarHBondContact O-NZ 3.41Å; I23-K111 HydrophobicContact CG2-CG 4.44Å; I23-K111 VanDerWaalsContact O-O 3.11Å; I26-K111 HydrophobicContact CD1-CB 3.41Å; I26-K111 VanDerWaalsContact CD1-CB 3.41Å; I26-K111 HydrophobicContact CG1-CB 4.01Å; R107-K111 WeakPolarHBondContact O-CG 3.39Å; R107-K111 PolarHBondContact O-N 3.03Å; L108-K111 PolarHBondContact O-N 2.62Å; K111-L114 PolarHBondContact O-N 3.47Å; K111-S115 VanDerWaalsContact O-CB 3.31Å; K111-S115 WeakPolarHBondContact O-CB 3.5Å; K111-S115 PolarHBondContact O-N 2.75Å; K111-S115 PolarHBondContact O-OG 2.76Å; K111-L206 VanDerWaalsContact CE-O 3.28Å; K111-L206 WeakPolarHBondContact CE-O 3.16Å
112S97Very high95.8Very high0 Ų064.1 Ų64.10%032%0.316CS..Hα-helixtrans-63.4-48.9179.1-660000112.2N29 L108 A109 I110 S115 E116N29-S112 PolarHBondContact N-OG 2.86Å; L108-S112 WeakPolarHBondContact O-CB 3.48Å; L108-S112 PolarHBondContact O-N 3.37Å; L108-S112 PolarHBondContact O-OG 3.08Å; A109-S112 PolarHBondContact O-N 3.39Å; I110-S112 VanDerWaalsContact C-N 3.28Å; I110-S112 PolarHBondContact O-N 2.85Å; S112-S115 PolarHBondContact O-N 2.83Å; S112-E116 WeakPolarHBondContact O-CB 3.42Å; S112-E116 PolarHBondContact O-N 3.48Å
113V97Very high95.6Very high2 Ų260.6 Ų60.61%0.01229%0.293CS..Hα-helixtrans-70.5-31.5179.6-77.70000113.3V33 A109 I110 K117 V183 V186 V187V33-V113 HydrophobicContact CB-CG1 4.46Å; V33-V113 HydrophobicContact CG1-CG1 3.63Å; V33-V113 HydrophobicContact CG2-CG1 3.89Å; A109-V113 VanDerWaalsContact O-CG2 3.3Å; A109-V113 WeakPolarHBondContact O-CG2 3.32Å; A109-V113 PolarHBondContact O-N 3.46Å; A109-V113 VanDerWaalsContact O-N 3.12Å; I110-V113 WeakPolarHBondContact O-CG2 3.46Å; I110-V113 PolarHBondContact O-N 2.92Å; V113-K117 VanDerWaalsContact O-CG 3.24Å; V113-K117 WeakPolarHBondContact O-CG 3.36Å; V113-K117 PolarHBondContact O-N 2.82Å; V113-K117 VanDerWaalsContact O-N 3.12Å; V113-V183 HydrophobicContact CG1-CG1 4.31Å; V113-V183 HydrophobicContact CG2-CG1 4.13Å; V113-V186 HydrophobicContact CB-CG1 3.84Å; V113-V186 HydrophobicContact CG2-CB 4.25Å; V113-V186 HydrophobicContact CG2-CG1 3.96Å; V113-V187 HydrophobicContact CB-CG2 4.23Å; V113-V187 HydrophobicContact CG1-CG2 3.38Å
114L96Very high95.6Very high5 Ų553 Ų533%0.02626%0.261CS..Hα-helixtrans-68.7-42.4172.8-69.7177.7000111.7I23 F24 I110 K111 K117 V118 V186 I192 I202 L206I23-L114 HydrophobicContact CG2-CD1 4.23Å; F24-L114 HydrophobicContact CD1-CB 3.9Å; F24-L114 HydrophobicContact CE1-CB 3.95Å; F24-L114 HydrophobicContact CE1-CD1 4.05Å; F24-L114 HydrophobicContact CE1-CD2 4.36Å; F24-L114 HydrophobicContact CE1-CG 4.35Å; F24-L114 HydrophobicContact CZ-CD1 4.45Å; I110-L114 HydrophobicContact CG2-CD1 3.89Å; I110-L114 HydrophobicContact CG2-CG 4.34Å; I110-L114 WeakPolarHBondContact O-CG 3.46Å; I110-L114 PolarHBondContact O-N 3.17Å; K111-L114 PolarHBondContact O-N 3.47Å; L114-K117 PolarHBondContact O-N 3.2Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 3.06Å; L114-V118 VanDerWaalsContact O-N 3.07Å; L114-V186 HydrophobicContact CD2-CG2 4.29Å; L114-I192 HydrophobicContact CD2-CD1 3.98Å; L114-I202 HydrophobicContact CD1-CG2 4.12Å; L114-L206 HydrophobicContact CD1-CD1 3.88Å
115S95.7Very high95.5Very high5 Ų544.4 Ų44.44%0.03522%0.223CC..Hα-helixtrans-63.5-41.2177.2-61.30000111.9I23 F24 G25 I26 K111 S112 V118 A119I23-S115 PolarHBondContact O-OG 2.83Å; F24-S115 VanDerWaalsContact CA-OG 3.32Å; F24-S115 WeakPolarHBondContact CA-OG 3.15Å; F24-S115 WeakPolarHBondContact O-CA 3.49Å; F24-S115 WeakPolarHBondContact O-CB 3.34Å; F24-S115 PolarHBondContact O-OG 3.25Å; G25-S115 PolarHBondContact N-OG 3.47Å; I26-S115 VanDerWaalsContact CG1-OG 3.24Å; I26-S115 WeakPolarHBondContact CG1-OG 3.35Å; I26-S115 PolarHBondContact N-OG 3.35Å; I26-S115 VanDerWaalsContact N-OG 3.15Å; I26-S115 VanDerWaalsContact O-CB 3.26Å; I26-S115 WeakPolarHBondContact O-CB 3.25Å; K111-S115 VanDerWaalsContact O-CB 3.31Å; K111-S115 WeakPolarHBondContact O-CB 3.5Å; K111-S115 PolarHBondContact O-N 2.75Å; K111-S115 PolarHBondContact O-OG 2.76Å; S112-S115 PolarHBondContact O-N 2.83Å; S115-V118 PolarHBondContact O-N 3.38Å; S115-A119 WeakPolarHBondContact O-CB 3.46Å; S115-A119 PolarHBondContact O-N 3.33Å
116E96Very high95.4Very high83 Ų8342.5 Ų42.539%0.38821%0.212SC..Hα-helixtrans-60.7-46.4174.8-172.4177.7-176.500111.7P28 S112 V118 A119 E120P28-E116 HydrophobicContact CG-CB 4.03Å; S112-E116 WeakPolarHBondContact O-CB 3.42Å; S112-E116 PolarHBondContact O-N 3.48Å; E116-V118 VanDerWaalsContact C-N 3.28Å; E116-V118 PolarHBondContact O-N 3.05Å; E116-A119 PolarHBondContact O-N 2.97Å; E116-E120 WeakPolarHBondContact O-CG 3.3Å; E116-E120 PolarHBondContact O-N 3.31Å
117K95.5Very high95.2Very high24 Ų2439.5 Ų39.510%0.10421%0.205CC..Hα-helixtrans-62.1-34177-71.6-69.6-174.6-168.40113.2V113 L114 N121 N122 L123 V186 N189 D190 I192V113-K117 VanDerWaalsContact O-CG 3.24Å; V113-K117 WeakPolarHBondContact O-CG 3.36Å; V113-K117 PolarHBondContact O-N 2.82Å; V113-K117 VanDerWaalsContact O-N 3.12Å; L114-K117 PolarHBondContact O-N 3.2Å; K117-N121 PolarHBondContact O-N 3.13Å; K117-N122 HydrophobicContact CB-CB 4.5Å; K117-N122 HydrophobicContact CD-CB 3.83Å; K117-N122 WeakPolarHBondContact O-CA 3.45Å; K117-N122 WeakPolarHBondContact O-CB 3.24Å; K117-N122 PolarHBondContact O-N 2.7Å; K117-L123 PolarHBondContact O-N 3.04Å; K117-V186 VanDerWaalsContact CE-O 3.31Å; K117-V186 WeakPolarHBondContact CE-O 3.29Å; K117-V186 HydrophobicContact CG-CG1 4.04Å; K117-N189 WeakPolarHBondContact CE-O 3.38Å; K117-N189 PolarHBondContact NZ-O 2.95Å; K117-D190 PolarHBondContact NZ-O 3.43Å; K117-I192 HydrophobicContact CB-CD1 4.09Å; K117-I192 HydrophobicContact CG-CD1 3.96Å; K117-I192 HydrophobicContact CG-CG1 4.47Å
118V95.4Very high95.1Very high15 Ų1536.2 Ų36.29%0.09120%0.204CC..Hα-helixtrans-72.6-44.2174.4171.80000110.9P2 V4 L19 F24 L114 S115 E116 E120 N121 L123P2-V118 HydrophobicContact CB-CG1 3.75Å; V4-V118 HydrophobicContact CG2-CG1 4.3Å; L19-V118 HydrophobicContact CD1-CG2 4.12Å; F24-V118 HydrophobicContact CB-CG2 4.19Å; F24-V118 HydrophobicContact CD1-CG2 3.71Å; F24-V118 HydrophobicContact CG-CG2 4.33Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 3.06Å; L114-V118 VanDerWaalsContact O-N 3.07Å; S115-V118 PolarHBondContact O-N 3.38Å; E116-V118 VanDerWaalsContact C-N 3.28Å; E116-V118 PolarHBondContact O-N 3.05Å; V118-E120 PolarHBondContact O-N 3.03Å; V118-N121 PolarHBondContact O-N 3.16Å; V118-L123 HydrophobicContact CG2-CB 4.08Å; V118-L123 HydrophobicContact CG2-CD1 3.7Å; V118-L123 HydrophobicContact CG2-CG 4.47Å
119A94.1Very high94.8Very high80 Ų8033.5 Ų33.566%0.66119%0.189SC*.Hα-helixtrans-60-34.417800000112.9S115 E116 N121S115-A119 WeakPolarHBondContact O-CB 3.46Å; S115-A119 PolarHBondContact O-N 3.33Å; E116-A119 PolarHBondContact O-N 2.97Å; A119-N121 VanDerWaalsContact C-N 3.34Å
120E94.5Very high94.5Very high103 Ų10337.4 Ų37.448%0.48122%0.217SC..THydrogen-bonded Turntrans-85.52.6176.7-64.9-176.7155.900114.4E116 V118 N122E116-E120 WeakPolarHBondContact O-CG 3.3Å; E116-E120 PolarHBondContact O-N 3.31Å; V118-E120 PolarHBondContact O-N 3.03Å; E120-N122 WeakPolarHBondContact CB-ND2 3.42Å; E120-N122 PolarHBondContact O-N 3.36Å; E120-N122 PolarHBondContact OE2-ND2 3.39Å
121N92.9Very high94.3Very high140 Ų14036.8 Ų36.875%0.74921%0.213SC*.THydrogen-bonded Turntrans58.232.7-174.2-52.9-70.6000114K117 V118 A119K117-N121 PolarHBondContact O-N 3.13Å; V118-N121 PolarHBondContact O-N 3.16Å; A119-N121 VanDerWaalsContact C-N 3.34Å
122N95Very high93.9Very high36 Ų3643.5 Ų43.519%0.19325%0.25CS..  trans-95.3-1-179.7-77.6-35.5000113.4K117 E120 D190 K191 I192K117-N122 HydrophobicContact CB-CB 4.5Å; K117-N122 HydrophobicContact CD-CB 3.83Å; K117-N122 WeakPolarHBondContact O-CA 3.45Å; K117-N122 WeakPolarHBondContact O-CB 3.24Å; K117-N122 PolarHBondContact O-N 2.7Å; E120-N122 WeakPolarHBondContact CB-ND2 3.42Å; E120-N122 PolarHBondContact O-N 3.36Å; E120-N122 PolarHBondContact OE2-ND2 3.39Å; N122-D190 WeakPolarHBondContact CB-O 3.17Å; N122-K191 CarbonylContact O-C 3.37Å; N122-K191 VanDerWaalsContact O-CA 3.26Å; N122-K191 WeakPolarHBondContact O-CA 3.29Å; N122-I192 PolarHBondContact O-N 2.96Å
123L95Very high93.7Very high10 Ų1045 Ų455%0.05226%0.263CS..EExtended strand (participates in β ladder)trans-96.1123.3172.8-167.4154.8000110V4 F24 K117 V118 A125 L199V4-L123 HydrophobicContact CB-CD2 4.48Å; V4-L123 HydrophobicContact CG1-CD2 3.92Å; V4-L123 WeakPolarHBondContact CG1-O 3.41Å; V4-L123 HydrophobicContact CG2-CD2 4.31Å; F24-L123 HydrophobicContact CD1-CD1 4.37Å; F24-L123 HydrophobicContact CE1-CD1 3.97Å; K117-L123 PolarHBondContact O-N 3.04Å; V118-L123 HydrophobicContact CG2-CB 4.08Å; V118-L123 HydrophobicContact CG2-CD1 3.7Å; V118-L123 HydrophobicContact CG2-CG 4.47Å; L123-A125 HydrophobicContact CD2-CB 4.43Å; L123-L199 HydrophobicContact CD1-CD2 4.26Å; L123-L199 HydrophobicContact CD2-CD1 4.44Å; L123-L199 HydrophobicContact CD2-CD2 4.46Å
124V94.2Very high93.5Very high14 Ų1448.1 Ų48.19%0.08528%0.283CS..EExtended strand (participates in β ladder)trans-113117175.6-177.10000108.3F7 L146 I148 I192 L193 A194F7-V124 HydrophobicContact CD2-CG1 3.71Å; F7-V124 HydrophobicContact CE2-CG1 4.09Å; V124-L146 HydrophobicContact CG1-CD2 4.25Å; V124-I148 HydrophobicContact CG2-CD1 4.31Å; V124-I192 PolarHBondContact N-O 3.15Å; V124-L193 HydrophobicContact CB-CD1 3.97Å; V124-L193 HydrophobicContact CG1-CD1 3.81Å; V124-L193 WeakPolarHBondContact O-CA 3.38Å; V124-A194 PolarHBondContact O-N 3.07Å; V124-A194 VanDerWaalsContact O-N 3.08Å
125A94.9Very high93.4Very high0 Ų053.1 Ų53.10%031%0.305CS..EExtended strand (participates in β ladder)trans-92.7132176.900000110.2V4 L6 F7 I17 L123 A194 L199V4-A125 HydrophobicContact CG1-CB 4.31Å; L6-A125 HydrophobicContact CD1-CB 4.18Å; F7-A125 PolarHBondContact N-O 2.91Å; I17-A125 HydrophobicContact CG2-CB 4.14Å; L123-A125 HydrophobicContact CD2-CB 4.43Å; A125-A194 WeakPolarHBondContact CA-O 3.2Å; A125-L199 HydrophobicContact CB-CD1 3.94Å
126V94.2Very high93.4Very high0 Ų055.4 Ų55.40%032%0.319CS..EExtended strand (participates in β ladder)trans-117.7141.7173.8179.30000109.4F7 A128 L129 L146 L193 A194 T195 Q196F7-V126 CarbonylContact O-C 3.56Å; F7-V126 VanDerWaalsContact O-CA 3.27Å; F7-V126 WeakPolarHBondContact O-CA 3.1Å; V126-A128 WeakPolarHBondContact CG1-O 3.31Å; V126-L129 HydrophobicContact CG1-CD2 4.1Å; V126-L129 HydrophobicContact CG1-CG 4.32Å; V126-L146 HydrophobicContact CG2-CD1 3.94Å; V126-L193 HydrophobicContact CG2-CD1 3.52Å; V126-L193 HydrophobicContact CG2-CG 4.31Å; V126-A194 PolarHBondContact N-O 3.12Å; V126-T195 CarbonylContact O-C 3.59Å; V126-T195 WeakPolarHBondContact O-CA 3.4Å; V126-Q196 PolarHBondContact O-N 3.45Å
127D91.7Very high93.4Very high68 Ų6859.3 Ų59.336%0.36433%0.334SS..SBendtrans-57.3-62.6177.2-172.90.3000111.1L6 F7 N14L6-D127 HydrophobicContact CD2-CB 4.43Å; F7-D127 PolarHBondContact O-N 3.39Å; N14-D127 PolarHBondContact ND2-OD2 3.44Å
128A91.1Very high93.3Very high50 Ų5061.1 Ų61.141%0.41334%0.343SS..  trans-149.8154.4174.500000111.5V126V126-A128 WeakPolarHBondContact CG1-O 3.31Å
129L91Very high93.2Very high4 Ų460.4 Ų60.42%0.02134%0.339CS..  trans-114.6101.1172.1-70.8172.9000108.9Q9 V126 F131 F139 V142 V154 L156 N160 A163 L193 T195Q9-L129 HydrophobicContact CG-CD2 4.3Å; V126-L129 HydrophobicContact CG1-CD2 4.1Å; V126-L129 HydrophobicContact CG1-CG 4.32Å; L129-F131 HydrophobicContact CB-CE2 4.27Å; L129-F139 HydrophobicContact CD1-CE2 4.33Å; L129-V142 HydrophobicContact CD2-CG1 4.02Å; L129-V154 HydrophobicContact CD1-CG1 4.37Å; L129-L156 HydrophobicContact CD1-CD2 3.69Å; L129-N160 PolarHBondContact O-ND2 2.77Å; L129-A163 HydrophobicContact CB-CB 4.31Å; L129-L193 HydrophobicContact CD1-CD2 4.24Å; L129-T195 HydrophobicContact CB-CG2 4.48Å; L129-T195 HydrophobicContact CD1-CG2 4.27Å; L129-T195 HydrophobicContact CG-CG2 4.24Å
130S91.2Very high93.3Very high83 Ų8362.6 Ų62.658%0.5833%0.333SS*.  trans-118.7136.8-178.9-172.50000110.8Q9Q9-S130 PolarHBondContact NE2-O 3.35Å; Q9-S130 PolarHBondContact OE1-O 3.23Å
131F91Very high93.2Very high19 Ų1963.7 Ų63.78%0.08334%0.339CS..  trans-141.2136178.3-58.5-85.5000109.5Q9 L129 A133 E138 F139 V142 V162 A163Q9-F131 VanDerWaalsContact NE2-CZ 3.3Å; L129-F131 HydrophobicContact CB-CE2 4.27Å; F131-A133 VanDerWaalsContact C-N 3.28Å; F131-A133 PolarHBondContact O-N 2.85Å; F131-E138 HydrophobicContact CD1-CB 3.85Å; F131-E138 HydrophobicContact CE1-CB 3.86Å; F131-F139 AromaticContact CE2-CD2 3.71Å; F131-F139 HydrophobicContact CE2-CD2 3.71Å; F131-F139 HydrophobicContact CE2-CE2 4.23Å; F131-F139 HydrophobicContact CZ-CB 4.28Å; F131-F139 AromaticContact CZ-CD2 3.54Å; F131-F139 HydrophobicContact CZ-CD2 3.54Å; F131-F139 HydrophobicContact CZ-CE2 4.28Å; F131-F139 HydrophobicContact CZ-CG 4.32Å; F131-V142 HydrophobicContact CE1-CG2 4.11Å; F131-V142 HydrophobicContact CZ-CG2 4.05Å; F131-V162 HydrophobicContact CB-CG1 3.98Å; F131-A163 HydrophobicContact CD2-CB 3.98Å; F131-A163 HydrophobicContact CE2-CB 3.93Å
132D89.5Confident93.3Very high172 Ų17257.5 Ų57.592%0.9231%0.306SS*.SBendtrans-68.8-30.6176.1-66.4-32.1000112.1
133A91.6Very high93.3Very high32 Ų3256 Ų5626%0.26430%0.298SS..SBendtrans-142.6151.7178.800000109.9F131 K135F131-A133 VanDerWaalsContact C-N 3.28Å; F131-A133 PolarHBondContact O-N 2.85Å; A133-K135 HydrophobicContact CB-CG 4.21Å; A133-K135 PolarHBondContact O-N 3.48Å
134P93.1Very high93.2Very high68 Ų6859.6 Ų59.644%0.44232%0.32SS..  trans-75.865.4-177.631.3-36000111.9V162 L165P134-V162 HydrophobicContact CB-CG1 4.03Å; P134-L165 HydrophobicContact CB-CB 3.58Å; P134-L165 HydrophobicContact CB-CD1 4.32Å
135K94.5Very high93.2Very high110 Ų11061.5 Ų61.548%0.47833%0.334SS..  trans-95.3115-177.3-71.6178.6-169.9161.10110.9A133 K137 E138 F139A133-K135 HydrophobicContact CB-CG 4.21Å; A133-K135 PolarHBondContact O-N 3.48Å; K135-K137 PolarHBondContact O-N 3.27Å; K135-K137 VanDerWaalsContact O-N 3.16Å; K135-E138 HydrophobicContact CB-CB 4.39Å; K135-E138 HydrophobicContact CB-CG 4.11Å; K135-E138 HydrophobicContact CD-CG 4.44Å; K135-E138 VanDerWaalsContact CD-OE1 3.28Å; K135-E138 WeakPolarHBondContact CD-OE1 3.38Å; K135-E138 IonicContact NZ-OE1 3.36Å; K135-E138 PolarHBondContact NZ-OE1 3.36Å; K135-E138 PolarHBondContact O-N 3.44Å; K135-E138 VanDerWaalsContact O-N 3.07Å; K135-F139 PolarHBondContact O-N 3.07Å
136T95.2Very high93.1Very high53 Ų5362.4 Ų62.433%0.32534%0.339SS..Hα-helixtrans-57.9-30176.157.80000113.4F139 K140 A166 N169T136-F139 PolarHBondContact O-N 2.89Å; T136-K140 WeakPolarHBondContact O-CB 3.42Å; T136-K140 PolarHBondContact O-N 3.26Å; T136-A166 WeakPolarHBondContact CA-O 3.38Å; T136-A166 WeakPolarHBondContact CG2-O 3.28Å; T136-N169 HydrophobicContact CG2-CB 3.74Å
137K94.8Very high93Very high165 Ų16566.5 Ų66.572%0.71737%0.368SS*.Hα-helixtrans-63.1-43176.1-174.1-175.6176.4-173.70111.9K135 K140 Q141K135-K137 PolarHBondContact O-N 3.27Å; K135-K137 VanDerWaalsContact O-N 3.16Å; K137-K140 PolarHBondContact O-N 3.38Å; K137-Q141 PolarHBondContact O-N 3.02Å
138E93.9Very high93Very high61 Ų6163.5 Ų63.529%0.28535%0.351SS..Hα-helixtrans-69.1-43-179.9-67.6173.3-172.600109.6F131 K135 K140 Q141 V142F131-E138 HydrophobicContact CD1-CB 3.85Å; F131-E138 HydrophobicContact CE1-CB 3.86Å; K135-E138 HydrophobicContact CB-CB 4.39Å; K135-E138 HydrophobicContact CB-CG 4.11Å; K135-E138 HydrophobicContact CD-CG 4.44Å; K135-E138 VanDerWaalsContact CD-OE1 3.28Å; K135-E138 WeakPolarHBondContact CD-OE1 3.38Å; K135-E138 IonicContact NZ-OE1 3.36Å; K135-E138 PolarHBondContact NZ-OE1 3.36Å; K135-E138 PolarHBondContact O-N 3.44Å; K135-E138 VanDerWaalsContact O-N 3.07Å; E138-K140 VanDerWaalsContact C-N 3.34Å; E138-K140 PolarHBondContact O-N 3.09Å; E138-Q141 WeakPolarHBondContact O-CB 3.5Å; E138-Q141 PolarHBondContact O-N 3.34Å; E138-Q141 VanDerWaalsContact O-N 3.11Å; E138-V142 WeakPolarHBondContact O-CG2 3.35Å; E138-V142 PolarHBondContact O-N 3.12Å
139F94.6Very high93Very high0 Ų068 Ų680%037%0.368CS..Hα-helixtrans-62-40.6174.7-160-85.1000112.7L129 F131 K135 T136 Q141 V142 L143 V154 A166 A167 L170 V173 L193L129-F139 HydrophobicContact CD1-CE2 4.33Å; F131-F139 AromaticContact CE2-CD2 3.71Å; F131-F139 HydrophobicContact CE2-CD2 3.71Å; F131-F139 HydrophobicContact CE2-CE2 4.23Å; F131-F139 HydrophobicContact CZ-CB 4.28Å; F131-F139 AromaticContact CZ-CD2 3.54Å; F131-F139 HydrophobicContact CZ-CD2 3.54Å; F131-F139 HydrophobicContact CZ-CE2 4.28Å; F131-F139 HydrophobicContact CZ-CG 4.32Å; K135-F139 PolarHBondContact O-N 3.07Å; T136-F139 PolarHBondContact O-N 2.89Å; F139-Q141 VanDerWaalsContact C-N 3.29Å; F139-Q141 PolarHBondContact O-N 3.18Å; F139-V142 WeakPolarHBondContact O-CB 3.45Å; F139-V142 PolarHBondContact O-N 3.31Å; F139-L143 HydrophobicContact CD1-CD1 4.02Å; F139-L143 HydrophobicContact CD1-CG 4.11Å; F139-L143 HydrophobicContact CE1-CD1 3.93Å; F139-L143 HydrophobicContact CE1-CD2 4.07Å; F139-L143 HydrophobicContact CE1-CG 3.93Å; F139-L143 PolarHBondContact O-N 2.88Å; F139-L143 VanDerWaalsContact O-N 3.1Å; F139-V154 HydrophobicContact CE1-CG2 4.14Å; F139-V154 HydrophobicContact CZ-CB 4.47Å; F139-V154 HydrophobicContact CZ-CG1 3.97Å; F139-V154 HydrophobicContact CZ-CG2 3.79Å; F139-A166 HydrophobicContact CB-CB 4.02Å; F139-A166 HydrophobicContact CD2-CB 4.28Å; F139-A166 HydrophobicContact CG-CB 4.47Å; F139-A167 HydrophobicContact CD1-CB 3.96Å; F139-A167 HydrophobicContact CD2-CB 4.03Å; F139-A167 HydrophobicContact CE1-CB 3.7Å; F139-A167 HydrophobicContact CE2-CB 3.81Å; F139-A167 HydrophobicContact CG-CB 4.12Å; F139-A167 HydrophobicContact CZ-CB 3.65Å; F139-L170 HydrophobicContact CD1-CD1 3.65Å; F139-L170 HydrophobicContact CE1-CD1 4.44Å; F139-V173 HydrophobicContact CE1-CG1 4.35Å; F139-V173 HydrophobicContact CE1-CG2 4.38Å; F139-L193 HydrophobicContact CZ-CD2 4.47Å
140K94.5Very high93.2Very high126 Ų12669.6 Ų69.655%0.54838%0.38SS..Hα-helixtrans-60.3-40174-175.7177.4179.3178.80111.7T136 K137 E138 V142 L143 T144 L170T136-K140 WeakPolarHBondContact O-CB 3.42Å; T136-K140 PolarHBondContact O-N 3.26Å; K137-K140 PolarHBondContact O-N 3.38Å; E138-K140 VanDerWaalsContact C-N 3.34Å; E138-K140 PolarHBondContact O-N 3.09Å; K140-V142 VanDerWaalsContact C-N 3.34Å; K140-L143 PolarHBondContact O-N 3.46Å; K140-T144 PolarHBondContact O-N 2.91Å; K140-T144 PolarHBondContact O-OG1 2.94Å; K140-T144 VanDerWaalsContact O-OG1 3.1Å; K140-L170 HydrophobicContact CB-CD1 4.47Å; K140-L170 HydrophobicContact CB-CD2 4.38Å
141Q94.1Very high93.5Very high127 Ų12771.1 Ų71.159%0.59338%0.376SS*.Hα-helixtrans-63-40.5176.7-175.8174.4-11.900111.7K137 E138 F139 T144 S145K137-Q141 PolarHBondContact O-N 3.02Å; E138-Q141 WeakPolarHBondContact O-CB 3.5Å; E138-Q141 PolarHBondContact O-N 3.34Å; E138-Q141 VanDerWaalsContact O-N 3.11Å; F139-Q141 VanDerWaalsContact C-N 3.29Å; F139-Q141 PolarHBondContact O-N 3.18Å; Q141-T144 PolarHBondContact O-N 2.98Å; Q141-S145 WeakPolarHBondContact O-CB 3.31Å; Q141-S145 PolarHBondContact O-N 3.29Å; Q141-S145 PolarHBondContact O-OG 3.01Å
142V94.1Very high93.8Very high9 Ų970.2 Ų70.26%0.05537%0.373CS..Hα-helixtrans-59.2-46.6173.7175.70000111.4Q9 L129 F131 E138 F139 K140 T144 S145 L146Q9-V142 HydrophobicContact CG-CG1 4.19Å; Q9-V142 HydrophobicContact CG-CG2 3.5Å; Q9-V142 VanDerWaalsContact CG-CG2 3.5Å; L129-V142 HydrophobicContact CD2-CG1 4.02Å; F131-V142 HydrophobicContact CE1-CG2 4.11Å; F131-V142 HydrophobicContact CZ-CG2 4.05Å; E138-V142 WeakPolarHBondContact O-CG2 3.35Å; E138-V142 PolarHBondContact O-N 3.12Å; F139-V142 WeakPolarHBondContact O-CB 3.45Å; F139-V142 PolarHBondContact O-N 3.31Å; K140-V142 VanDerWaalsContact C-N 3.34Å; V142-T144 VanDerWaalsContact C-N 3.33Å; V142-T144 PolarHBondContact O-N 3.03Å; V142-S145 WeakPolarHBondContact O-CB 3.24Å; V142-S145 PolarHBondContact O-N 3.29Å; V142-L146 HydrophobicContact CG1-CD1 3.92Å; V142-L146 WeakPolarHBondContact O-CG 3.22Å; V142-L146 PolarHBondContact O-N 2.91Å
143L94.5Very high94.1Very high5 Ų562.1 Ų62.13%0.02633%0.329CS..Hα-helixtrans-62.1-39.8177.2-66.8177.5000112.6F139 K140 L146 S147 I148 V152 L170 V173 L193F139-L143 HydrophobicContact CD1-CD1 4.02Å; F139-L143 HydrophobicContact CD1-CG 4.11Å; F139-L143 HydrophobicContact CE1-CD1 3.93Å; F139-L143 HydrophobicContact CE1-CD2 4.07Å; F139-L143 HydrophobicContact CE1-CG 3.93Å; F139-L143 PolarHBondContact O-N 2.88Å; F139-L143 VanDerWaalsContact O-N 3.1Å; K140-L143 PolarHBondContact O-N 3.46Å; L143-L146 CarbonylContact O-C 3.54Å; L143-L146 PolarHBondContact O-N 3.16Å; L143-S147 PolarHBondContact O-N 2.81Å; L143-I148 HydrophobicContact CD2-CB 4.33Å; L143-I148 HydrophobicContact CD2-CD1 4.29Å; L143-I148 HydrophobicContact CD2-CG2 4.4Å; L143-I148 PolarHBondContact O-N 3.27Å; L143-V152 HydrophobicContact CD2-CG1 4.12Å; L143-L170 HydrophobicContact CD1-CD1 3.87Å; L143-V173 HydrophobicContact CD1-CG2 3.55Å; L143-L193 HydrophobicContact CD2-CD2 4.3Å
144T93.9Very high94.3Very high86 Ų8660.6 Ų60.653%0.52832%0.317SS..Hα-helixtrans-65.1-43.4175.2-58.60000111.5K140 Q141 V142 L146 S147K140-T144 PolarHBondContact O-N 2.91Å; K140-T144 PolarHBondContact O-OG1 2.94Å; K140-T144 VanDerWaalsContact O-OG1 3.1Å; Q141-T144 PolarHBondContact O-N 2.98Å; V142-T144 VanDerWaalsContact C-N 3.33Å; V142-T144 PolarHBondContact O-N 3.03Å; T144-L146 PolarHBondContact O-N 2.96Å; T144-S147 PolarHBondContact O-N 3.47Å
145S93.7Very high94.4Very high53 Ų5357.5 Ų57.537%0.37130%0.296SS..Hα-helixtrans-58-36.9174.1-84.20000112.6D10 Q141 V142 S147D10-S145 WeakPolarHBondContact O-CB 3.45Å; D10-S145 PolarHBondContact O-OG 3.4Å; Q141-S145 WeakPolarHBondContact O-CB 3.31Å; Q141-S145 PolarHBondContact O-N 3.29Å; Q141-S145 PolarHBondContact O-OG 3.01Å; V142-S145 WeakPolarHBondContact O-CB 3.24Å; V142-S145 PolarHBondContact O-N 3.29Å; S145-S147 VanDerWaalsContact C-N 3.29Å; S145-S147 PolarHBondContact O-N 3.38Å
146L92.8Very high94.3Very high19 Ų1952.5 Ų52.510%0.09928%0.275CS..THydrogen-bonded Turntrans-85.44178-65.4170.2000113.9F7 V124 V126 V142 L143 T144 I148 L193F7-L146 HydrophobicContact CB-CD2 3.66Å; F7-L146 HydrophobicContact CD1-CD2 4.45Å; F7-L146 HydrophobicContact CD2-CD2 4.32Å; F7-L146 HydrophobicContact CG-CD2 3.9Å; V124-L146 HydrophobicContact CG1-CD2 4.25Å; V126-L146 HydrophobicContact CG2-CD1 3.94Å; V142-L146 HydrophobicContact CG1-CD1 3.92Å; V142-L146 WeakPolarHBondContact O-CG 3.22Å; V142-L146 PolarHBondContact O-N 2.91Å; L143-L146 CarbonylContact O-C 3.54Å; L143-L146 PolarHBondContact O-N 3.16Å; T144-L146 PolarHBondContact O-N 2.96Å; L146-I148 VanDerWaalsContact C-N 3.33Å; L146-I148 HydrophobicContact CB-CD1 3.93Å; L146-I148 HydrophobicContact CB-CG1 3.98Å; L146-I148 HydrophobicContact CD1-CD1 4.39Å; L146-I148 PolarHBondContact O-N 3.43Å; L146-L193 HydrophobicContact CD1-CD1 3.57Å; L146-L193 HydrophobicContact CD1-CD2 4.46Å
147S91.8Very high94.1Very high87 Ų8752.1 Ų52.161%0.60827%0.269SS*.THydrogen-bonded Turntrans5545.8-178.2-53.20000113L143 T144 S145 K191L143-S147 PolarHBondContact O-N 2.81Å; T144-S147 PolarHBondContact O-N 3.47Å; S145-S147 VanDerWaalsContact C-N 3.29Å; S145-S147 PolarHBondContact O-N 3.38Å; S147-K191 PolarHBondContact O-NZ 2.75Å
148I92.8Very high93.6Very high4 Ų448.2 Ų48.22%0.02126%0.259CS..  trans-110.496.9178-56.2177.8000109.6V124 L143 L146 V152 K191 L193V124-I148 HydrophobicContact CG2-CD1 4.31Å; L143-I148 HydrophobicContact CD2-CB 4.33Å; L143-I148 HydrophobicContact CD2-CD1 4.29Å; L143-I148 HydrophobicContact CD2-CG2 4.4Å; L143-I148 PolarHBondContact O-N 3.27Å; L146-I148 VanDerWaalsContact C-N 3.33Å; L146-I148 HydrophobicContact CB-CD1 3.93Å; L146-I148 HydrophobicContact CB-CG1 3.98Å; L146-I148 HydrophobicContact CD1-CD1 4.39Å; L146-I148 PolarHBondContact O-N 3.43Å; I148-V152 HydrophobicContact CD1-CG2 4.39Å; I148-V152 HydrophobicContact CG2-CB 3.79Å; I148-V152 HydrophobicContact CG2-CG1 4.09Å; I148-V152 HydrophobicContact CG2-CG2 4.12Å; I148-K191 HydrophobicContact CG1-CD 4.18Å; I148-K191 HydrophobicContact CG2-CD 4.36Å; I148-L193 HydrophobicContact CD1-CD1 4.13Å
149D91.2Very high93.2Very high144 Ų14454.1 Ų54.177%0.7729%0.287SS*.  trans-101-16.6175.9-63.1-39.8000113.3
150S94.5Very high92.8Very high39 Ų3955.7 Ų55.727%0.27330%0.295SS..SBendtrans-87.2-174.6-176.565.70000112.5V152 N172 D190S150-V152 PolarHBondContact O-N 3.39Å; S150-N172 PolarHBondContact O-ND2 2.95Å; S150-D190 WeakPolarHBondContact CB-OD2 3.26Å
151K96.7Very high92.5Very high115 Ų11556.7 Ų56.750%0.530%0.302SS..  trans-70.1132.1175.1-70.6-178.5-178.6174.60110.2N172 D190 K191K151-N172 CarbonylContact C-O 3.58Å; K151-N172 WeakPolarHBondContact CA-O 3.21Å; K151-D190 PolarHBondContact N-OD2 3.27Å; K151-D190 VanDerWaalsContact N-OD2 3.09Å; K151-D190 PolarHBondContact O-N 3.05Å; K151-K191 PolarHBondContact O-N 2.89Å
152V97Very high92.5Very high0 Ų053.1 Ų53.10%029%0.289CS..EExtended strand (participates in β ladder)trans-129.6133.5-176.364.30000111.7L143 I148 S150 V154 N172 V173 T174 N189 K191 L193L143-V152 HydrophobicContact CD2-CG1 4.12Å; I148-V152 HydrophobicContact CD1-CG2 4.39Å; I148-V152 HydrophobicContact CG2-CB 3.79Å; I148-V152 HydrophobicContact CG2-CG1 4.09Å; I148-V152 HydrophobicContact CG2-CG2 4.12Å; S150-V152 PolarHBondContact O-N 3.39Å; V152-V154 HydrophobicContact CG1-CG2 4.37Å; V152-V154 HydrophobicContact CG2-CG2 4.48Å; V152-N172 PolarHBondContact N-O 2.87Å; V152-V173 HydrophobicContact CG1-CB 4.35Å; V152-V173 HydrophobicContact CG1-CG1 4.44Å; V152-V173 HydrophobicContact CG1-CG2 3.77Å; V152-V173 WeakPolarHBondContact O-CA 3.16Å; V152-T174 PolarHBondContact O-N 3.08Å; V152-T174 PolarHBondContact O-OG1 3.2Å; V152-N189 VanDerWaalsContact C-OD1 3.24Å; V152-N189 PolarHBondContact N-OD1 2.6Å; V152-N189 PolarHBondContact O-OD1 3.34Å; V152-K191 WeakPolarHBondContact CA-O 3.26Å; V152-K191 HydrophobicContact CG2-CB 4.37Å; V152-L193 HydrophobicContact CG2-CB 3.81Å
153L97.1Very high92.4Very high2 Ų252.7 Ų52.71%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-90117.2166.8-177.564.8000108.4V155 T174 T176 D185 V186 N189 K191 I192 L193L153-V155 HydrophobicContact CD2-CG2 4.26Å; L153-V155 HydrophobicContact CG-CG2 4.16Å; L153-T174 WeakPolarHBondContact CA-O 3.34Å; L153-T174 WeakPolarHBondContact CD1-OG1 3.32Å; L153-T176 HydrophobicContact CD1-CG2 3.69Å; L153-T176 HydrophobicContact CD2-CG2 4.25Å; L153-T176 HydrophobicContact CG-CG2 4.06Å; L153-D185 HydrophobicContact CD1-CB 4.08Å; L153-D185 HydrophobicContact CD2-CB 4.28Å; L153-V186 HydrophobicContact CD2-CG2 3.94Å; L153-N189 HydrophobicContact CB-CB 3.88Å; L153-K191 PolarHBondContact N-O 3.45Å; L153-I192 CarbonylContact O-C 3.56Å; L153-I192 WeakPolarHBondContact O-CA 3.42Å; L153-L193 PolarHBondContact O-N 2.93Å
154V96Very high92.3Very high0 Ų053.1 Ų53.10%029%0.292CS..EExtended strand (participates in β ladder)trans-97.2117.3175.1179.90000108.2L129 F139 V152 L156 V173 T174 T176 L193L129-V154 HydrophobicContact CD1-CG1 4.37Å; F139-V154 HydrophobicContact CE1-CG2 4.14Å; F139-V154 HydrophobicContact CZ-CB 4.47Å; F139-V154 HydrophobicContact CZ-CG1 3.97Å; F139-V154 HydrophobicContact CZ-CG2 3.79Å; V152-V154 HydrophobicContact CG1-CG2 4.37Å; V152-V154 HydrophobicContact CG2-CG2 4.48Å; V154-L156 HydrophobicContact CG1-CD1 4.47Å; V154-L156 HydrophobicContact CG1-CD2 3.82Å; V154-L156 HydrophobicContact CG1-CG 3.95Å; V154-V173 HydrophobicContact CB-CG1 4.28Å; V154-V173 HydrophobicContact CG2-CG1 3.52Å; V154-T174 PolarHBondContact N-O 3.02Å; V154-T176 PolarHBondContact O-N 3Å; V154-L193 CarbonylContact C-O 3.4Å; V154-L193 WeakPolarHBondContact CA-O 3.25Å; V154-L193 HydrophobicContact CG1-CD2 4.41Å; V154-L193 HydrophobicContact CG2-CB 4.29Å; V154-L193 HydrophobicContact CG2-CD2 4.11Å
155V95.4Very high92.3Very high3 Ų352.2 Ų52.22%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-104.2115.8177.9-166.50000109.1L153 T176 V181 I192 L193 A194 T195 A198 I202L153-V155 HydrophobicContact CD2-CG2 4.26Å; L153-V155 HydrophobicContact CG-CG2 4.16Å; V155-T176 WeakPolarHBondContact CA-O 3.42Å; V155-T176 HydrophobicContact CB-CG2 4.39Å; V155-T176 HydrophobicContact CG1-CG2 4.25Å; V155-T176 HydrophobicContact CG2-CG2 3.91Å; V155-V181 HydrophobicContact CG1-CG2 3.96Å; V155-V181 HydrophobicContact CG2-CG2 4.42Å; V155-I192 HydrophobicContact CG2-CG2 4.01Å; V155-L193 PolarHBondContact N-O 2.87Å; V155-A194 HydrophobicContact CB-CB 4.12Å; V155-T195 PolarHBondContact O-N 3.28Å; V155-A198 HydrophobicContact CG1-CB 4.08Å; V155-I202 HydrophobicContact CG1-CD1 4.19Å
156L92.4Very high92.3Very high5 Ų549.7 Ų49.73%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-111.9161.2-178.3-60.2175000111.2L129 V154 A163 V175 T176 T177 S178L129-L156 HydrophobicContact CD1-CD2 3.69Å; V154-L156 HydrophobicContact CG1-CD1 4.47Å; V154-L156 HydrophobicContact CG1-CD2 3.82Å; V154-L156 HydrophobicContact CG1-CG 3.95Å; L156-A163 HydrophobicContact CD1-CB 3.89Å; L156-A163 HydrophobicContact CD2-CB 4.08Å; L156-V175 HydrophobicContact CD1-CG1 3.86Å; L156-V175 HydrophobicContact CG-CG1 4.49Å; L156-T176 PolarHBondContact N-O 2.91Å; L156-T177 WeakPolarHBondContact O-CA 3.45Å; L156-S178 PolarHBondContact O-N 3.5Å; L156-S178 VanDerWaalsContact O-N 3.17Å
157E90.6Very high92.3Very high44 Ų4448.8 Ų48.821%0.20626%0.261CS..  trans-70.3152.7161.4-41.2106.1148.100109.7E159 N160 T197E157-E159 PolarHBondContact O-N 2.84Å; E157-E159 VanDerWaalsContact O-N 3.08Å; E157-N160 PolarHBondContact O-N 3.36Å; E157-N160 VanDerWaalsContact O-N 3.15Å; E157-T197 VanDerWaalsContact CG-OG1 3.29Å; E157-T197 WeakPolarHBondContact CG-OG1 3.36Å; E157-T197 VanDerWaalsContact OE1-CB 3.28Å; E157-T197 WeakPolarHBondContact OE1-CB 3.21Å; E157-T197 PolarHBondContact OE1-OG1 3.28Å
158T84.2Confident92.3Very high83 Ų8353.2 Ų53.251%0.50926%0.264SS..THydrogen-bonded Turntrans-58-26.1-178.4-57.10000113.5
159E84.4Confident92.3Very high186 Ų18659 Ų5987%0.86930%0.296SS*.THydrogen-bonded Turntrans-81.6-15.6-176.8-60.5-178.6175.800113.7E157 E161E157-E159 PolarHBondContact O-N 2.84Å; E157-E159 VanDerWaalsContact O-N 3.08Å; E159-E161 VanDerWaalsContact C-N 3.31Å; E159-E161 PolarHBondContact O-N 3.15Å
160N86.4Confident92.5Very high32 Ų3253.5 Ų53.517%0.17127%0.266CS..  trans-89.260.9-171.6-160.8-17000113.1L129 E157 V162 A163 G164L129-N160 PolarHBondContact O-ND2 2.77Å; E157-N160 PolarHBondContact O-N 3.36Å; E157-N160 VanDerWaalsContact O-N 3.15Å; N160-V162 VanDerWaalsContact C-N 3.26Å; N160-V162 PolarHBondContact O-N 3.46Å; N160-A163 PolarHBondContact O-N 3.49Å; N160-A163 WeakPolarHBondContact OD1-CB 3.35Å; N160-A163 PolarHBondContact OD1-N 3.25Å; N160-G164 PolarHBondContact O-N 3.14Å
161E89.4Confident92.4Very high147 Ų14757.8 Ų57.869%0.68730%0.296SS*.Hα-helixtrans-61.6-34.7-179.5-66.6-167.7166.300112.5E159 G164 L165E159-E161 VanDerWaalsContact C-N 3.31Å; E159-E161 PolarHBondContact O-N 3.15Å; E161-G164 PolarHBondContact O-N 2.95Å; E161-L165 WeakPolarHBondContact O-CB 3.36Å; E161-L165 VanDerWaalsContact O-CG 3.25Å; E161-L165 WeakPolarHBondContact O-CG 3.39Å; E161-L165 PolarHBondContact O-N 3.17Å
162V93.3Very high92.4Very high53 Ų5354.2 Ų54.232%0.32128%0.282SS..Hα-helixtrans-65-45.9-176.8-172.90000110.9F131 P134 N160 G164 L165 A166F131-V162 HydrophobicContact CB-CG1 3.98Å; P134-V162 HydrophobicContact CB-CG1 4.03Å; N160-V162 VanDerWaalsContact C-N 3.26Å; N160-V162 PolarHBondContact O-N 3.46Å; V162-G164 VanDerWaalsContact C-N 3.35Å; V162-L165 PolarHBondContact O-N 3.42Å; V162-A166 WeakPolarHBondContact O-CB 3.41Å; V162-A166 PolarHBondContact O-N 2.92Å
163A92Very high92.3Very high0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-64.1-40.8174.500000111.4L129 F131 L156 N160 L165 A166 A167L129-A163 HydrophobicContact CB-CB 4.31Å; F131-A163 HydrophobicContact CD2-CB 3.98Å; F131-A163 HydrophobicContact CE2-CB 3.93Å; L156-A163 HydrophobicContact CD1-CB 3.89Å; L156-A163 HydrophobicContact CD2-CB 4.08Å; N160-A163 PolarHBondContact O-N 3.49Å; N160-A163 WeakPolarHBondContact OD1-CB 3.35Å; N160-A163 PolarHBondContact OD1-N 3.25Å; A163-L165 PolarHBondContact O-N 3.17Å; A163-A166 PolarHBondContact O-N 3.12Å; A163-A167 WeakPolarHBondContact O-CB 3.35Å; A163-A167 PolarHBondContact O-N 3.37Å
164G92.9Very high92.3Very high14 Ų1457.5 Ų57.514%0.14430%0.302CS..Hα-helixtrans-60.9-42.7176.600000113N160 E161 V162 A167 R168N160-G164 PolarHBondContact O-N 3.14Å; E161-G164 PolarHBondContact O-N 2.95Å; V162-G164 VanDerWaalsContact C-N 3.35Å; G164-A167 PolarHBondContact O-N 3.42Å; G164-R168 WeakPolarHBondContact O-CB 3.48Å; G164-R168 PolarHBondContact O-N 2.94Å; G164-R168 VanDerWaalsContact O-N 3.13Å
165L93.4Very high92.2Very high66 Ų6660.1 Ų60.135%0.34632%0.318SS..Hα-helixtrans-67.6-36175.7-71.1175.3000112.6P134 E161 V162 A163P134-L165 HydrophobicContact CB-CB 3.58Å; P134-L165 HydrophobicContact CB-CD1 4.32Å; E161-L165 WeakPolarHBondContact O-CB 3.36Å; E161-L165 VanDerWaalsContact O-CG 3.25Å; E161-L165 WeakPolarHBondContact O-CG 3.39Å; E161-L165 PolarHBondContact O-N 3.17Å; V162-L165 PolarHBondContact O-N 3.42Å; A163-L165 PolarHBondContact O-N 3.17Å
166A93.6Very high92.2Very high0 Ų060.7 Ų60.70%032%0.322CS..Hα-helixtrans-69.2-33176.500000112.4T136 F139 V162 A163T136-A166 WeakPolarHBondContact CA-O 3.38Å; T136-A166 WeakPolarHBondContact CG2-O 3.28Å; F139-A166 HydrophobicContact CB-CB 4.02Å; F139-A166 HydrophobicContact CD2-CB 4.28Å; F139-A166 HydrophobicContact CG-CB 4.47Å; V162-A166 WeakPolarHBondContact O-CB 3.41Å; V162-A166 PolarHBondContact O-N 2.92Å; A163-A166 PolarHBondContact O-N 3.12Å
167A93.3Very high92.2Very high0 Ų062.2 Ų62.20%033%0.331CS..Hα-helixtrans-84-38.8-175.700000114.1F139 A163 G164 N169 L170 V173 V175F139-A167 HydrophobicContact CD1-CB 3.96Å; F139-A167 HydrophobicContact CD2-CB 4.03Å; F139-A167 HydrophobicContact CE1-CB 3.7Å; F139-A167 HydrophobicContact CE2-CB 3.81Å; F139-A167 HydrophobicContact CG-CB 4.12Å; F139-A167 HydrophobicContact CZ-CB 3.65Å; A163-A167 WeakPolarHBondContact O-CB 3.35Å; A163-A167 PolarHBondContact O-N 3.37Å; G164-A167 PolarHBondContact O-N 3.42Å; A167-N169 PolarHBondContact O-N 3.4Å; A167-L170 PolarHBondContact O-N 2.97Å; A167-V173 HydrophobicContact CB-CG1 3.98Å; A167-V175 HydrophobicContact CB-CG2 3.44Å; A167-V175 VanDerWaalsContact CB-CG2 3.44Å
168R91.3Very high92.3Very high181 Ų18160.4 Ų60.468%0.68332%0.324SS*.THydrogen-bonded Turntrans-58.6-18.9-166.871.5-178.4-176.9173.71.3117G164G164-R168 WeakPolarHBondContact O-CB 3.48Å; G164-R168 PolarHBondContact O-N 2.94Å; G164-R168 VanDerWaalsContact O-N 3.13Å
169N93.9Very high92.6Very high126 Ų12661.6 Ų61.667%0.67433%0.327SS*.THydrogen-bonded Turntrans-88-11.9-178.1-168.158.6000113T136 A167T136-N169 HydrophobicContact CG2-CB 3.74Å; A167-N169 PolarHBondContact O-N 3.4Å
170L93.9Very high93Very high28 Ų2857.5 Ų57.515%0.14731%0.311CS..  trans-81.4128-180-64.5172.2000110F139 K140 L143 A167 N172 V173F139-L170 HydrophobicContact CD1-CD1 3.65Å; F139-L170 HydrophobicContact CE1-CD1 4.44Å; K140-L170 HydrophobicContact CB-CD1 4.47Å; K140-L170 HydrophobicContact CB-CD2 4.38Å; L143-L170 HydrophobicContact CD1-CD1 3.87Å; A167-L170 PolarHBondContact O-N 2.97Å; L170-N172 VanDerWaalsContact C-N 3.27Å; L170-N172 PolarHBondContact O-N 2.98Å; L170-V173 HydrophobicContact CB-CB 3.94Å; L170-V173 HydrophobicContact CB-CG2 3.58Å; L170-V173 HydrophobicContact CD1-CG2 3.86Å; L170-V173 HydrophobicContact CG-CG2 4.38Å; L170-V173 PolarHBondContact O-N 3.49Å; L170-V173 VanDerWaalsContact O-N 3.11Å
171S93.9Very high93.4Very high129 Ų12956.9 Ų56.990%0.90231%0.308SS*.THydrogen-bonded Turntrans-68-23.9-173.255.40000114.6
172N95.4Very high93.7Very high40 Ų4051.6 Ų51.621%0.21429%0.286CS..THydrogen-bonded Turntrans-91.8-1.8177.365.9-45.3000112.7S150 K151 V152 L170S150-N172 PolarHBondContact O-ND2 2.95Å; K151-N172 CarbonylContact C-O 3.58Å; K151-N172 WeakPolarHBondContact CA-O 3.21Å; V152-N172 PolarHBondContact N-O 2.87Å; L170-N172 VanDerWaalsContact C-N 3.27Å; L170-N172 PolarHBondContact O-N 2.98Å
173V96.4Very high93.8Very high11 Ų1149.5 Ų49.57%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-110.2129.8-175.8-177.70000110.1F139 L143 V152 V154 A167 L170 V175F139-V173 HydrophobicContact CE1-CG1 4.35Å; F139-V173 HydrophobicContact CE1-CG2 4.38Å; L143-V173 HydrophobicContact CD1-CG2 3.55Å; V152-V173 HydrophobicContact CG1-CB 4.35Å; V152-V173 HydrophobicContact CG1-CG1 4.44Å; V152-V173 HydrophobicContact CG1-CG2 3.77Å; V152-V173 WeakPolarHBondContact O-CA 3.16Å; V154-V173 HydrophobicContact CB-CG1 4.28Å; V154-V173 HydrophobicContact CG2-CG1 3.52Å; A167-V173 HydrophobicContact CB-CG1 3.98Å; L170-V173 HydrophobicContact CB-CB 3.94Å; L170-V173 HydrophobicContact CB-CG2 3.58Å; L170-V173 HydrophobicContact CD1-CG2 3.86Å; L170-V173 HydrophobicContact CG-CG2 4.38Å; L170-V173 PolarHBondContact O-N 3.49Å; L170-V173 VanDerWaalsContact O-N 3.11Å; V173-V175 HydrophobicContact CG1-CG2 4.16Å
174T95.8Very high94Very high59 Ų5951.4 Ų51.436%0.36228%0.283SS..EExtended strand (participates in β ladder)trans-113.7131.7164.652.10000108.5V152 L153 V154 N189V152-T174 PolarHBondContact O-N 3.08Å; V152-T174 PolarHBondContact O-OG1 3.2Å; L153-T174 WeakPolarHBondContact CA-O 3.34Å; L153-T174 WeakPolarHBondContact CD1-OG1 3.32Å; V154-T174 PolarHBondContact N-O 3.02Å; T174-N189 VanDerWaalsContact OG1-CG 3.28Å; T174-N189 PolarHBondContact OG1-ND2 3.32Å; T174-N189 PolarHBondContact OG1-OD1 3.11Å; T174-N189 VanDerWaalsContact OG1-OD1 3.06Å
175V95Very high94.1Very high56 Ų5653 Ų5334%0.33929%0.288SS..EExtended strand (participates in β ladder)trans-104.1131.8-178.5-176.80000108.4L156 A167 V173L156-V175 HydrophobicContact CD1-CG1 3.86Å; L156-V175 HydrophobicContact CG-CG1 4.49Å; A167-V175 HydrophobicContact CB-CG2 3.44Å; A167-V175 VanDerWaalsContact CB-CG2 3.44Å; V173-V175 HydrophobicContact CG1-CG2 4.16Å
176T94.4Very high94.3Very high15 Ų1549.9 Ų49.99%0.09227%0.272CS..EExtended strand (participates in β ladder)trans-136.5162.7170.7-163.50000110.5L153 V154 V155 L156 N180 V181L153-T176 HydrophobicContact CD1-CG2 3.69Å; L153-T176 HydrophobicContact CD2-CG2 4.25Å; L153-T176 HydrophobicContact CG-CG2 4.06Å; V154-T176 PolarHBondContact O-N 3Å; V155-T176 WeakPolarHBondContact CA-O 3.42Å; V155-T176 HydrophobicContact CB-CG2 4.39Å; V155-T176 HydrophobicContact CG1-CG2 4.25Å; V155-T176 HydrophobicContact CG2-CG2 3.91Å; L156-T176 PolarHBondContact N-O 2.91Å; T176-N180 PolarHBondContact OG1-O 3.44Å; T176-V181 HydrophobicContact CG2-CG2 4.17Å
177T93.3Very high94.4Very high36 Ų3653 Ų5322%0.22129%0.291CS..EExtended strand (participates in β ladder)trans-94.5159.2170.560.10000109.8L156 D179 N180 V181L156-T177 WeakPolarHBondContact O-CA 3.45Å; T177-D179 PolarHBondContact O-N 3.42Å; T177-N180 PolarHBondContact O-N 3.27Å; T177-N180 PolarHBondContact OG1-ND2 3.25Å; T177-V181 PolarHBondContact O-N 3.08Å
178S91.9Very high94.5Very high7 Ų755.4 Ų55.45%0.04931%0.311CS..G310 helixtrans-49.8-38174.149.90000113.3L156 N180 Q201L156-S178 PolarHBondContact O-N 3.5Å; L156-S178 VanDerWaalsContact O-N 3.17Å; S178-N180 PolarHBondContact O-N 2.92Å; S178-Q201 VanDerWaalsContact CB-OE1 3.32Å; S178-Q201 PolarHBondContact OG-OE1 3.02Å
179D91.4Very high94.8Very high107 Ų10747.1 Ų47.157%0.57228%0.28SS*.G310 helixtrans-70.6-25.7178.4-64.4-39.6000114.8T177T177-D179 PolarHBondContact O-N 3.42Å
180N92.9Very high94.8Very high100 Ų10044.8 Ų44.854%0.53527%0.268SS..G310 helixtrans-109.420.5-170.7-70.4-54.9000112.8T176 T177 S178 T182T176-N180 PolarHBondContact OG1-O 3.44Å; T177-N180 PolarHBondContact O-N 3.27Å; T177-N180 PolarHBondContact OG1-ND2 3.25Å; S178-N180 PolarHBondContact O-N 2.92Å; N180-T182 WeakPolarHBondContact O-CG2 3.45Å; N180-T182 PolarHBondContact O-N 3.02Å
181V93.8Very high95Very high20 Ų2045.9 Ų45.912%0.12127%0.272CS..  trans-66.9116.1175.1-179.10000109.5V155 T176 T177 V186 I202V155-V181 HydrophobicContact CG1-CG2 3.96Å; V155-V181 HydrophobicContact CG2-CG2 4.42Å; T176-V181 HydrophobicContact CG2-CG2 4.17Å; T177-V181 PolarHBondContact O-N 3.08Å; V181-V186 HydrophobicContact CG1-CG2 3.72Å; V181-I202 HydrophobicContact CG2-CD1 4.07Å; V181-I202 HydrophobicContact CG2-CG1 4.32Å
182T94.8Very high95.1Very high36 Ų3640 Ų4022%0.22123%0.23CC..  trans-113.2155.417981.10000112.4Q40 N180 L184 D185 V186Q40-T182 PolarHBondContact NE2-OG1 3.25Å; N180-T182 WeakPolarHBondContact O-CG2 3.45Å; N180-T182 PolarHBondContact O-N 3.02Å; T182-L184 VanDerWaalsContact C-N 3.28Å; T182-L184 PolarHBondContact O-N 3.08Å; T182-D185 PolarHBondContact O-N 3.18Å; T182-D185 PolarHBondContact OG1-N 3.45Å; T182-D185 PolarHBondContact OG1-OD2 3.37Å; T182-V186 WeakPolarHBondContact O-CG2 3.49Å; T182-V186 PolarHBondContact O-N 3.34Å; T182-V186 VanDerWaalsContact O-N 3.09Å
183V96Very high95.1Very high9 Ų938.1 Ų38.16%0.05522%0.22CC..Hα-helixtrans-58.8-42.5177.7-179.90000110.8V33 A36 I37 A109 I110 V113 D185 V186 V187V33-V183 HydrophobicContact CG1-CG1 4.27Å; A36-V183 HydrophobicContact CB-CB 4.46Å; A36-V183 HydrophobicContact CB-CG1 4.26Å; A36-V183 HydrophobicContact CB-CG2 4.26Å; I37-V183 HydrophobicContact CG1-CG1 4.1Å; A109-V183 HydrophobicContact CB-CG2 3.88Å; I110-V183 HydrophobicContact CB-CG2 4.47Å; I110-V183 HydrophobicContact CG1-CG2 3.53Å; V113-V183 HydrophobicContact CG1-CG1 4.31Å; V113-V183 HydrophobicContact CG2-CG1 4.13Å; V183-D185 PolarHBondContact O-N 3.27Å; V183-V186 PolarHBondContact O-N 3.47Å; V183-V187 HydrophobicContact CG1-CG2 4.29Å; V183-V187 WeakPolarHBondContact O-CB 3.4Å; V183-V187 VanDerWaalsContact O-CG2 3.25Å; V183-V187 WeakPolarHBondContact O-CG2 3.11Å; V183-V187 PolarHBondContact O-N 3.04Å
184L96.4Very high95Very high40 Ų4037.6 Ų37.621%0.20922%0.217CC..Hα-helixtrans-62.4-43.3179.7-171.6157.3000111.8Q40 R41 L44 T182 V187 A188Q40-L184 HydrophobicContact CB-CD1 4.4Å; Q40-L184 HydrophobicContact CG-CB 4.16Å; Q40-L184 HydrophobicContact CG-CD1 4.06Å; Q40-L184 VanDerWaalsContact OE1-CB 3.26Å; Q40-L184 VanDerWaalsContact OE1-N 3.16Å; R41-L184 HydrophobicContact CG-CD1 3.53Å; L44-L184 HydrophobicContact CD1-CD1 4.35Å; T182-L184 VanDerWaalsContact C-N 3.28Å; T182-L184 PolarHBondContact O-N 3.08Å; L184-V187 PolarHBondContact O-N 3.33Å; L184-A188 HydrophobicContact CD2-CB 4.46Å; L184-A188 WeakPolarHBondContact O-CB 3.25Å; L184-A188 PolarHBondContact O-N 3.21Å
185D95.5Very high95Very high46 Ų4634.8 Ų34.825%0.24620%0.2CC..Hα-helixtrans-68.3-40.4-178.4-58.7-36.9000111.1L153 T182 V183 A188 N189L153-D185 HydrophobicContact CD1-CB 4.08Å; L153-D185 HydrophobicContact CD2-CB 4.28Å; T182-D185 PolarHBondContact O-N 3.18Å; T182-D185 PolarHBondContact OG1-N 3.45Å; T182-D185 PolarHBondContact OG1-OD2 3.37Å; V183-D185 PolarHBondContact O-N 3.27Å; D185-A188 PolarHBondContact O-N 3.1Å; D185-N189 PolarHBondContact O-N 3.05Å; D185-N189 PolarHBondContact O-ND2 2.87Å
186V96.5Very high94.8Very high1 Ų135.7 Ų35.71%0.00620%0.2CC..Hα-helixtrans-63.2-44.3176.6171.90000111.5V113 L114 K117 L153 V181 T182 V183 N189 I192V113-V186 HydrophobicContact CB-CG1 3.84Å; V113-V186 HydrophobicContact CG2-CB 4.25Å; V113-V186 HydrophobicContact CG2-CG1 3.96Å; L114-V186 HydrophobicContact CD2-CG2 4.29Å; K117-V186 VanDerWaalsContact CE-O 3.31Å; K117-V186 WeakPolarHBondContact CE-O 3.29Å; K117-V186 HydrophobicContact CG-CG1 4.04Å; L153-V186 HydrophobicContact CD2-CG2 3.94Å; V181-V186 HydrophobicContact CG1-CG2 3.72Å; T182-V186 WeakPolarHBondContact O-CG2 3.49Å; T182-V186 PolarHBondContact O-N 3.34Å; T182-V186 VanDerWaalsContact O-N 3.09Å; V183-V186 PolarHBondContact O-N 3.47Å; V186-N189 VanDerWaalsContact O-O 3.13Å; V186-I192 HydrophobicContact CG1-CD1 3.95Å; V186-I192 HydrophobicContact CG2-CD1 4.4Å
187V96.2Very high94.8Very high66 Ų6637.5 Ų37.540%0.421%0.211SC..Hα-helixtrans-74.3-32.1-178.8175.10000112.1V33 I37 V113 V183 L184 N189V33-V187 HydrophobicContact CG1-CG2 4.4Å; I37-V187 HydrophobicContact CD1-CB 4.45Å; I37-V187 HydrophobicContact CD1-CG1 4.05Å; I37-V187 HydrophobicContact CD1-CG2 4.22Å; V113-V187 HydrophobicContact CB-CG2 4.23Å; V113-V187 HydrophobicContact CG1-CG2 3.38Å; V183-V187 HydrophobicContact CG1-CG2 4.29Å; V183-V187 WeakPolarHBondContact O-CB 3.4Å; V183-V187 VanDerWaalsContact O-CG2 3.25Å; V183-V187 WeakPolarHBondContact O-CG2 3.11Å; V183-V187 PolarHBondContact O-N 3.04Å; L184-V187 PolarHBondContact O-N 3.33Å; V187-N189 VanDerWaalsContact C-N 3.25Å; V187-N189 PolarHBondContact O-N 3.47Å
188A95.8Very high94.8Very high51 Ų5135.8 Ų35.842%0.42120%0.201SC..Hα-helixtrans-73.5-16.5-178.500000113.9L184 D185L184-A188 HydrophobicContact CD2-CB 4.46Å; L184-A188 WeakPolarHBondContact O-CB 3.25Å; L184-A188 PolarHBondContact O-N 3.21Å; D185-A188 PolarHBondContact O-N 3.1Å
189N96.7Very high94.8Very high6 Ų635.6 Ų35.63%0.03220%0.199CC..SBendtrans-107.7144178.7-68.7-80.1000110.7K117 V152 L153 T174 D185 V186 V187K117-N189 WeakPolarHBondContact CE-O 3.38Å; K117-N189 PolarHBondContact NZ-O 2.95Å; V152-N189 VanDerWaalsContact C-OD1 3.24Å; V152-N189 PolarHBondContact N-OD1 2.6Å; V152-N189 PolarHBondContact O-OD1 3.34Å; L153-N189 HydrophobicContact CB-CB 3.88Å; T174-N189 VanDerWaalsContact OG1-CG 3.28Å; T174-N189 PolarHBondContact OG1-ND2 3.32Å; T174-N189 PolarHBondContact OG1-OD1 3.11Å; T174-N189 VanDerWaalsContact OG1-OD1 3.06Å; D185-N189 PolarHBondContact O-N 3.05Å; D185-N189 PolarHBondContact O-ND2 2.87Å; V186-N189 VanDerWaalsContact O-O 3.13Å; V187-N189 VanDerWaalsContact C-N 3.25Å; V187-N189 PolarHBondContact O-N 3.47Å
190D95.6Very high94.9Very high78 Ų7833.5 Ų33.542%0.41719%0.19SC..SBendtrans-76.1-45.1-177.5-54.5-46.4000109.9K117 N122 S150 K151K117-D190 PolarHBondContact NZ-O 3.43Å; N122-D190 WeakPolarHBondContact CB-O 3.17Å; S150-D190 WeakPolarHBondContact CB-OD2 3.26Å; K151-D190 PolarHBondContact N-OD2 3.27Å; K151-D190 VanDerWaalsContact N-OD2 3.09Å; K151-D190 PolarHBondContact O-N 3.05Å
191K96.2Very high94.9Very high51 Ų5131.7 Ų31.722%0.22218%0.179CC..EExtended strand (participates in β ladder)trans-116.9156.7177.7-66.5-172.9177.8-175.50112.4N122 S147 I148 K151 V152 L153N122-K191 CarbonylContact O-C 3.37Å; N122-K191 VanDerWaalsContact O-CA 3.26Å; N122-K191 WeakPolarHBondContact O-CA 3.29Å; S147-K191 PolarHBondContact O-NZ 2.75Å; I148-K191 HydrophobicContact CG1-CD 4.18Å; I148-K191 HydrophobicContact CG2-CD 4.36Å; K151-K191 PolarHBondContact O-N 2.89Å; V152-K191 WeakPolarHBondContact CA-O 3.26Å; V152-K191 HydrophobicContact CG2-CB 4.37Å; L153-K191 PolarHBondContact N-O 3.45Å
192I96.3Very high94.8Very high5 Ų531.2 Ų31.23%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-114130.8169.6-55.2176.8000108.1L114 K117 N122 V124 L153 V155 V186 A194L114-I192 HydrophobicContact CD2-CD1 3.98Å; K117-I192 HydrophobicContact CB-CD1 4.09Å; K117-I192 HydrophobicContact CG-CD1 3.96Å; K117-I192 HydrophobicContact CG-CG1 4.47Å; N122-I192 PolarHBondContact O-N 2.96Å; V124-I192 PolarHBondContact N-O 3.15Å; L153-I192 CarbonylContact O-C 3.56Å; L153-I192 WeakPolarHBondContact O-CA 3.42Å; V155-I192 HydrophobicContact CG2-CG2 4.01Å; V186-I192 HydrophobicContact CG1-CD1 3.95Å; V186-I192 HydrophobicContact CG2-CD1 4.4Å; I192-A194 HydrophobicContact CG2-CB 4.48Å
193L95.6Very high94.7Very high0 Ų031.5 Ų31.50%017%0.174CC..EExtended strand (participates in β ladder)trans-110.7116.3168.6-173.974.6000108.1V124 V126 L129 F139 L143 L146 I148 V152 L153 V154 V155V124-L193 HydrophobicContact CB-CD1 3.97Å; V124-L193 HydrophobicContact CG1-CD1 3.81Å; V124-L193 WeakPolarHBondContact O-CA 3.38Å; V126-L193 HydrophobicContact CG2-CD1 3.52Å; V126-L193 HydrophobicContact CG2-CG 4.31Å; L129-L193 HydrophobicContact CD1-CD2 4.24Å; F139-L193 HydrophobicContact CZ-CD2 4.47Å; L143-L193 HydrophobicContact CD2-CD2 4.3Å; L146-L193 HydrophobicContact CD1-CD1 3.57Å; L146-L193 HydrophobicContact CD1-CD2 4.46Å; I148-L193 HydrophobicContact CD1-CD1 4.13Å; V152-L193 HydrophobicContact CG2-CB 3.81Å; L153-L193 PolarHBondContact O-N 2.93Å; V154-L193 CarbonylContact C-O 3.4Å; V154-L193 WeakPolarHBondContact CA-O 3.25Å; V154-L193 HydrophobicContact CG1-CD2 4.41Å; V154-L193 HydrophobicContact CG2-CB 4.29Å; V154-L193 HydrophobicContact CG2-CD2 4.11Å; V155-L193 PolarHBondContact N-O 2.87Å
194A95.4Very high94.5Very high1 Ų138.2 Ų38.21%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-129.8142.6-179.800000111.1V124 A125 V126 V155 I192 L199V124-A194 PolarHBondContact O-N 3.07Å; V124-A194 VanDerWaalsContact O-N 3.08Å; A125-A194 WeakPolarHBondContact CA-O 3.2Å; V126-A194 PolarHBondContact N-O 3.12Å; V155-A194 HydrophobicContact CB-CB 4.12Å; I192-A194 HydrophobicContact CG2-CB 4.48Å; A194-L199 HydrophobicContact CB-CD1 4.38Å; A194-L199 HydrophobicContact CB-CD2 3.85Å; A194-L199 HydrophobicContact CB-CG 3.83Å
195T94.2Very high94.2Very high0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-72155168.660.40000110.6V126 L129 V155 T197 A198 L199V126-T195 CarbonylContact O-C 3.59Å; V126-T195 WeakPolarHBondContact O-CA 3.4Å; L129-T195 HydrophobicContact CB-CG2 4.48Å; L129-T195 HydrophobicContact CD1-CG2 4.27Å; L129-T195 HydrophobicContact CG-CG2 4.24Å; V155-T195 PolarHBondContact O-N 3.28Å; T195-T197 PolarHBondContact O-N 3.13Å; T195-T197 PolarHBondContact OG1-OG1 3.48Å; T195-A198 PolarHBondContact O-N 2.94Å; T195-A198 VanDerWaalsContact O-N 3.08Å; T195-A198 VanDerWaalsContact OG1-CB 3.22Å; T195-A198 WeakPolarHBondContact OG1-CB 3.45Å; T195-A198 PolarHBondContact OG1-N 3.31Å; T195-L199 PolarHBondContact O-N 2.68Å
196Q92.6Very high93.8Very high74 Ų7438.6 Ų38.635%0.34621%0.21SC..Hα-helixtrans-55-44.3177.5174.8168.214.600111.9L6 I17 V126 L199 T200L6-Q196 HydrophobicContact CD1-CB 4.38Å; I17-Q196 HydrophobicContact CD1-CG 3.78Å; V126-Q196 PolarHBondContact O-N 3.45Å; Q196-L199 WeakPolarHBondContact O-CB 3.13Å; Q196-L199 PolarHBondContact O-N 3.22Å; Q196-T200 PolarHBondContact O-N 2.87Å; Q196-T200 VanDerWaalsContact O-N 3.14Å
197T92.6Very high93.1Very high54 Ų5442.8 Ų42.833%0.33125%0.245SC..Hα-helixtrans-62.7-38.2174.646.50000113.5E157 T195 L199 T200 Q201E157-T197 VanDerWaalsContact CG-OG1 3.29Å; E157-T197 WeakPolarHBondContact CG-OG1 3.36Å; E157-T197 VanDerWaalsContact OE1-CB 3.28Å; E157-T197 WeakPolarHBondContact OE1-CB 3.21Å; E157-T197 PolarHBondContact OE1-OG1 3.28Å; T195-T197 PolarHBondContact O-N 3.13Å; T195-T197 PolarHBondContact OG1-OG1 3.48Å; T197-L199 VanDerWaalsContact C-N 3.33Å; T197-T200 WeakPolarHBondContact CA-OG1 3.43Å; T197-T200 PolarHBondContact O-N 3.46Å; T197-T200 PolarHBondContact O-OG1 3.13Å; T197-Q201 WeakPolarHBondContact O-CG 3.4Å; T197-Q201 PolarHBondContact O-N 3.21Å; T197-Q201 VanDerWaalsContact O-N 3.1Å
198A93.3Very high92.9Very high0 Ų041.7 Ų41.70%024%0.237CC..Hα-helixtrans-67.6-36.917600000111V155 T195 Q201 I202V155-A198 HydrophobicContact CG1-CB 4.08Å; T195-A198 PolarHBondContact O-N 2.94Å; T195-A198 VanDerWaalsContact O-N 3.08Å; T195-A198 VanDerWaalsContact OG1-CB 3.22Å; T195-A198 WeakPolarHBondContact OG1-CB 3.45Å; T195-A198 PolarHBondContact OG1-N 3.31Å; A198-Q201 PolarHBondContact O-N 3.13Å; A198-I202 VanDerWaalsContact O-CG1 3.25Å; A198-I202 WeakPolarHBondContact O-CG1 3.41Å; A198-I202 PolarHBondContact O-N 3.41Å
199L93Very high92.8Very high3 Ų341.2 Ų41.22%0.01623%0.227CC..Hα-helixtrans-63.4-45.2175.1-70.1168.8000111.5L19 F24 L123 A125 A194 T195 Q196 T197 Q201 I202 E203L19-L199 HydrophobicContact CD2-CD1 4.21Å; F24-L199 HydrophobicContact CZ-CD2 4.13Å; L123-L199 HydrophobicContact CD1-CD2 4.26Å; L123-L199 HydrophobicContact CD2-CD1 4.44Å; L123-L199 HydrophobicContact CD2-CD2 4.46Å; A125-L199 HydrophobicContact CB-CD1 3.94Å; A194-L199 HydrophobicContact CB-CD1 4.38Å; A194-L199 HydrophobicContact CB-CD2 3.85Å; A194-L199 HydrophobicContact CB-CG 3.83Å; T195-L199 PolarHBondContact O-N 2.68Å; Q196-L199 WeakPolarHBondContact O-CB 3.13Å; Q196-L199 PolarHBondContact O-N 3.22Å; T197-L199 VanDerWaalsContact C-N 3.33Å; L199-Q201 VanDerWaalsContact C-N 3.33Å; L199-Q201 PolarHBondContact O-N 2.96Å; L199-I202 PolarHBondContact O-N 3.32Å; L199-E203 WeakPolarHBondContact O-CG 3.28Å; L199-E203 PolarHBondContact O-N 3.2Å
200T92.8Very high92.5Very high62 Ų6243.1 Ų43.138%0.3824%0.238SC..Hα-helixtrans-62.8-39.8177.255.50000112Q196 T197 I202 E203 E204Q196-T200 PolarHBondContact O-N 2.87Å; Q196-T200 VanDerWaalsContact O-N 3.14Å; T197-T200 WeakPolarHBondContact CA-OG1 3.43Å; T197-T200 PolarHBondContact O-N 3.46Å; T197-T200 PolarHBondContact O-OG1 3.13Å; T200-I202 PolarHBondContact O-N 3.34Å; T200-E203 WeakPolarHBondContact O-CB 3.42Å; T200-E203 PolarHBondContact O-N 3.05Å; T200-E204 WeakPolarHBondContact O-CG 3.23Å; T200-E204 PolarHBondContact O-N 3.22Å; T200-E204 VanDerWaalsContact O-N 3.08Å
201Q93.1Very high92.4Very high63 Ų6341.1 Ų41.129%0.29423%0.227SC..Hα-helixtrans-64.4-40.3176.2-73.1174.3-5.600112.4S178 T197 A198 L199 E203 E204 V205S178-Q201 VanDerWaalsContact CB-OE1 3.32Å; S178-Q201 PolarHBondContact OG-OE1 3.02Å; T197-Q201 WeakPolarHBondContact O-CG 3.4Å; T197-Q201 PolarHBondContact O-N 3.21Å; T197-Q201 VanDerWaalsContact O-N 3.1Å; A198-Q201 PolarHBondContact O-N 3.13Å; L199-Q201 VanDerWaalsContact C-N 3.33Å; L199-Q201 PolarHBondContact O-N 2.96Å; Q201-E203 VanDerWaalsContact C-N 3.28Å; Q201-E203 PolarHBondContact O-N 3.48Å; Q201-E204 PolarHBondContact O-N 3.17Å; Q201-V205 WeakPolarHBondContact O-CG2 3.28Å; Q201-V205 PolarHBondContact O-N 3.37Å
202I92.9Very high92.1Very high10 Ų1040.4 Ų40.45%0.05123%0.228CC..Hα-helixtrans-61.3-40.6174.7-70.1165000110.6L114 V155 V181 A198 L199 T200 V205 L206L114-I202 HydrophobicContact CD1-CG2 4.12Å; V155-I202 HydrophobicContact CG1-CD1 4.19Å; V181-I202 HydrophobicContact CG2-CD1 4.07Å; V181-I202 HydrophobicContact CG2-CG1 4.32Å; A198-I202 VanDerWaalsContact O-CG1 3.25Å; A198-I202 WeakPolarHBondContact O-CG1 3.41Å; A198-I202 PolarHBondContact O-N 3.41Å; L199-I202 PolarHBondContact O-N 3.32Å; T200-I202 PolarHBondContact O-N 3.34Å; I202-V205 PolarHBondContact O-N 3.42Å; I202-L206 HydrophobicContact CG2-CD1 3.66Å; I202-L206 HydrophobicContact CG2-CG 4.37Å; I202-L206 WeakPolarHBondContact O-CB 3.18Å; I202-L206 WeakPolarHBondContact O-CG 3.05Å; I202-L206 PolarHBondContact O-N 2.82Å; I202-L206 VanDerWaalsContact O-N 3.13Å
203E92.4Very high91.8Very high41 Ų4142.8 Ų42.819%0.19224%0.241CC..Hα-helixtrans-62.7-44178.4-70.9-176.9164.400112.3N20 I23 F24 L199 T200 Q201 V205 L206 A207N20-E203 HydrophobicContact CB-CG 4.21Å; N20-E203 WeakPolarHBondContact CB-OE1 3.16Å; N20-E203 PolarHBondContact N-OE1 3.22Å; I23-E203 HydrophobicContact CD1-CB 4.07Å; I23-E203 HydrophobicContact CD1-CG 4.05Å; F24-E203 HydrophobicContact CE2-CG 3.86Å; L199-E203 WeakPolarHBondContact O-CG 3.28Å; L199-E203 PolarHBondContact O-N 3.2Å; T200-E203 WeakPolarHBondContact O-CB 3.42Å; T200-E203 PolarHBondContact O-N 3.05Å; Q201-E203 VanDerWaalsContact C-N 3.28Å; Q201-E203 PolarHBondContact O-N 3.48Å; E203-V205 VanDerWaalsContact C-N 3.32Å; E203-V205 PolarHBondContact O-N 3.47Å; E203-L206 PolarHBondContact O-N 3.14Å; E203-A207 WeakPolarHBondContact O-CB 3.22Å; E203-A207 PolarHBondContact O-N 3.18Å
204E91.2Very high91.6Very high151 Ų15145.9 Ų45.971%0.70626%0.259SS*.Hα-helixtrans-61.3-37.5177.3-71.4178.4-178.700113T200 Q201T200-E204 WeakPolarHBondContact O-CG 3.23Å; T200-E204 PolarHBondContact O-N 3.22Å; T200-E204 VanDerWaalsContact O-N 3.08Å; Q201-E204 PolarHBondContact O-N 3.17Å
205V89.7Confident91.3Very high78 Ų7849.3 Ų49.347%0.47328%0.278SS..Hα-helixtrans-77-31.1-178174.30000112.5Q201 I202 E203Q201-V205 WeakPolarHBondContact O-CG2 3.28Å; Q201-V205 PolarHBondContact O-N 3.37Å; I202-V205 PolarHBondContact O-N 3.42Å; E203-V205 VanDerWaalsContact C-N 3.32Å; E203-V205 PolarHBondContact O-N 3.47Å
206L87.6Confident91Very high15 Ų1553.4 Ų53.48%0.07930%0.301CS..Hα-helixtrans-95.3-13.4-174.9-68.9179.7000114.7I23 I110 K111 L114 I202 E203I23-L206 HydrophobicContact CD1-CB 3.83Å; I23-L206 HydrophobicContact CG1-CB 4.21Å; I23-L206 HydrophobicContact CG2-CB 4.48Å; I23-L206 HydrophobicContact CG2-CD1 3.82Å; I110-L206 HydrophobicContact CB-CD2 4.49Å; I110-L206 HydrophobicContact CG2-CD1 3.79Å; I110-L206 HydrophobicContact CG2-CD2 4.13Å; K111-L206 VanDerWaalsContact CE-O 3.28Å; K111-L206 WeakPolarHBondContact CE-O 3.16Å; L114-L206 HydrophobicContact CD1-CD1 3.88Å; I202-L206 HydrophobicContact CG2-CD1 3.66Å; I202-L206 HydrophobicContact CG2-CG 4.37Å; I202-L206 WeakPolarHBondContact O-CB 3.18Å; I202-L206 WeakPolarHBondContact O-CG 3.05Å; I202-L206 PolarHBondContact O-N 2.82Å; I202-L206 VanDerWaalsContact O-N 3.13Å; E203-L206 PolarHBondContact O-N 3.14Å
207A81.1Confident90.9Very high90 Ų9051.5 Ų51.574%0.74430%0.297SS*.  trans-58.70164.400000111.6R107 E203R107-A207 PolarHBondContact NH1-OXT 2.74Å; E203-A207 WeakPolarHBondContact O-CB 3.22Å; E203-A207 PolarHBondContact O-N 3.18Å

Retrieved 207 of 207 residues in 396.5 ms (Link to these results)

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