A0A096MYX6_PAPAN Loading...

Zinc finger and BTB domain containing 8A

May be involved in transcriptional regulation.

AlphaFold DB (A0A2K5NW26), UniProt , Accession A0A096MYX6, Species PAPAN (Papio anubis, Olive baboon), Gene ZBTB8A, Length 441 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
1M27.3Very low62.7Low205 Ų205114.7 Ų114.7100%1.0160%0.604SS**  0840-79.9176.669.300108.5I3M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 HydrophobicContact CE-CD1 3.71Å; M1-I3 PolarHBondContact O-N 3.06Å
2E33.3Very low64.6Low173 Ų173116.3 Ų116.381%0.80861%0.606SS**  trans-92.965.7-175.7-65.6164.6114.100110S5E2-S5 PolarHBondContact O-OG 3.18Å
3I39.1Very low66.4Low117 Ų117114.8 Ų114.860%0.659%0.594SS**  trans-90.5-18.1-175.2-56.6179.7000111.2M1M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 HydrophobicContact CE-CD1 3.71Å; M1-I3 PolarHBondContact O-N 3.06Å
4S53.3Low68.1Low101 Ų101109.5 Ų109.571%0.70657%0.566SS**Hα-helixtrans-80.5-24.4-178.949.40000115
5S61.4Low69.5Low70 Ų70104 Ų10449%0.4954%0.538SS..Hα-helixtrans-70.7-43.9-176.754.20000112.4E2 Q7 S8 H9E2-S5 PolarHBondContact O-OG 3.18Å; S5-Q7 PolarHBondContact O-N 3.03Å; S5-S8 PolarHBondContact O-N 3.43Å; S5-H9 WeakPolarHBondContact O-CB 3.24Å; S5-H9 PolarHBondContact O-N 3.24Å
6H70.6Confident70.8Confident132 Ų132102.1 Ų102.161%0.61153%0.526SS*.Hα-helixtrans-64.1-42-171.4-172.362.4000113.3H9 L10H6-H9 PolarHBondContact O-N 3.4Å; H6-L10 WeakPolarHBondContact O-CB 3.46Å; H6-L10 PolarHBondContact O-N 3.48Å
7Q74.3Confident72Confident148 Ų14899.9 Ų99.969%0.69251%0.513SS*.Hα-helixtrans-66.1-39.6176.7-69.2-176.5-1700112.3S5 L10 L11S5-Q7 PolarHBondContact O-N 3.03Å; Q7-L10 PolarHBondContact O-N 2.98Å; Q7-L11 WeakPolarHBondContact O-CB 3.44Å; Q7-L11 PolarHBondContact O-N 3.14Å
8S76.4Confident73.1Confident75 Ų7596.4 Ų96.452%0.52449%0.492SS..Hα-helixtrans-64.6-41.7175.2-170.50000111.7S5 L11 Q12S5-S8 PolarHBondContact O-N 3.43Å; S8-L11 PolarHBondContact O-N 3.23Å; S8-Q12 WeakPolarHBondContact O-CB 3.32Å; S8-Q12 PolarHBondContact O-N 3.21Å
9H82.6Confident73.9Confident104 Ų104100.4 Ų100.448%0.48150%0.5SS..Hα-helixtrans-64.5-45.3177.3-171-82.1000111.8S5 H6 L11 Q12 Q13S5-H9 WeakPolarHBondContact O-CB 3.24Å; S5-H9 PolarHBondContact O-N 3.24Å; H6-H9 PolarHBondContact O-N 3.4Å; H9-L11 PolarHBondContact O-N 2.8Å; H9-Q12 PolarHBondContact O-N 2.83Å; H9-Q13 PolarHBondContact CE1-OE1 3.02Å; H9-Q13 VanDerWaalsContact ND1-CD 3.33Å; H9-Q13 PolarHBondContact ND1-OE1 3.04Å; H9-Q13 WeakPolarHBondContact O-CG 3.34Å; H9-Q13 PolarHBondContact O-N 3.4Å
10L86.2Confident74.8Confident87 Ų87101.4 Ų101.446%0.45550%0.503SS..Hα-helixtrans-60-44.8176.4-177.268.2000111.7H6 Q7 Q12 Q13 L14H6-L10 WeakPolarHBondContact O-CB 3.46Å; H6-L10 PolarHBondContact O-N 3.48Å; Q7-L10 PolarHBondContact O-N 2.98Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; L10-Q12 PolarHBondContact O-N 2.92Å; L10-Q13 PolarHBondContact O-N 3.23Å; L10-L14 HydrophobicContact CG-CD1 4.2Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 3.34Å
11L85.6Confident75.4Confident50 Ų50100.2 Ų100.226%0.26250%0.499SS..Hα-helixtrans-65.2-37.9178.2-164.170.5000111.8Q7 S8 H9 L14 N15 V41Q7-L11 WeakPolarHBondContact O-CB 3.44Å; Q7-L11 PolarHBondContact O-N 3.14Å; S8-L11 PolarHBondContact O-N 3.23Å; H9-L11 PolarHBondContact O-N 2.8Å; L11-L14 PolarHBondContact O-N 3.3Å; L11-N15 WeakPolarHBondContact O-CB 3.46Å; L11-N15 PolarHBondContact O-N 2.68Å; L11-V41 HydrophobicContact CD1-CG1 4.27Å
12Q85.5Confident78.3Confident134 Ų13493 Ų9363%0.62647%0.466SS*.Hα-helixtrans-65-39.4174.1-174.9173.3-9.300112.3S8 H9 L10 N15 E16S8-Q12 WeakPolarHBondContact O-CB 3.32Å; S8-Q12 PolarHBondContact O-N 3.21Å; H9-Q12 PolarHBondContact O-N 2.83Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; L10-Q12 PolarHBondContact O-N 2.92Å; Q12-N15 WeakPolarHBondContact O-CB 3.44Å; Q12-N15 PolarHBondContact O-N 3.38Å; Q12-E16 PolarHBondContact O-N 3.08Å
13Q88Confident80.9Confident97 Ų9792.2 Ų92.245%0.45346%0.461SS..Hα-helixtrans-64.6-43.7173.5-71.2175.6-70.500112H9 L10 N15 E16 Q17H9-Q13 PolarHBondContact CE1-OE1 3.02Å; H9-Q13 VanDerWaalsContact ND1-CD 3.33Å; H9-Q13 PolarHBondContact ND1-OE1 3.04Å; H9-Q13 WeakPolarHBondContact O-CG 3.34Å; H9-Q13 PolarHBondContact O-N 3.4Å; L10-Q13 PolarHBondContact O-N 3.23Å; Q13-N15 VanDerWaalsContact C-N 3.27Å; Q13-N15 PolarHBondContact O-N 3.21Å; Q13-E16 PolarHBondContact O-N 2.75Å; Q13-Q17 WeakPolarHBondContact O-CG 2.93Å; Q13-Q17 PolarHBondContact O-N 3.22Å
14L89.8Confident83.2Confident40 Ų4087.8 Ų87.821%0.20944%0.44CS..Hα-helixtrans-63.2-32.7174.9-72.3165.1000112.3L10 L11 R18 H38 V41 Y84L10-L14 HydrophobicContact CG-CD1 4.2Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 3.34Å; L11-L14 PolarHBondContact O-N 3.3Å; L14-R18 WeakPolarHBondContact O-CB 3.33Å; L14-R18 PolarHBondContact O-N 2.68Å; L14-H38 PolarHBondContact O-CE1 2.91Å; L14-V41 HydrophobicContact CD1-CG2 4.1Å; L14-Y84 HydrophobicContact CB-CD1 4.36Å; L14-Y84 HydrophobicContact CB-CE1 4.22Å
15N89.5Confident84.9Confident27 Ų2785.9 Ų85.914%0.14442%0.422CS..Hα-helixtrans-68.5-42.3174.4-1641.1000111.7L11 Q12 Q13 R18 R19 Y84L11-N15 WeakPolarHBondContact O-CB 3.46Å; L11-N15 PolarHBondContact O-N 2.68Å; Q12-N15 WeakPolarHBondContact O-CB 3.44Å; Q12-N15 PolarHBondContact O-N 3.38Å; Q13-N15 VanDerWaalsContact C-N 3.27Å; Q13-N15 PolarHBondContact O-N 3.21Å; N15-R18 WeakPolarHBondContact O-CB 3.23Å; N15-R18 PolarHBondContact O-N 3.3Å; N15-R18 PolarHBondContact OD1-NE 3.38Å; N15-R18 PolarHBondContact OD1-NH2 2.96Å; N15-R19 WeakPolarHBondContact O-CG 3.44Å; N15-R19 PolarHBondContact O-N 3.49Å; N15-Y84 HydrophobicContact CB-CD1 4.08Å; N15-Y84 HydrophobicContact CB-CG 4.43Å; N15-Y84 WeakPolarHBondContact CB-O 3.49Å; N15-Y84 PolarHBondContact ND2-O 2.91Å; N15-Y84 VanDerWaalsContact ND2-O 3.14Å
16E90Very high86.2Confident74 Ų7482.5 Ų82.535%0.34640%0.398SS..Hα-helixtrans-69.2-39.5177.6-17055.4-155.400111.8Q12 Q13 R18 R19 Q20Q12-E16 PolarHBondContact O-N 3.08Å; Q13-E16 PolarHBondContact O-N 2.75Å; E16-R18 VanDerWaalsContact C-N 3.34Å; E16-R18 PolarHBondContact O-N 3.42Å; E16-R19 PolarHBondContact O-N 2.84Å; E16-R19 VanDerWaalsContact O-N 3.16Å; E16-R19 IonicContact OE1-NH1 3.45Å; E16-R19 PolarHBondContact OE1-NH1 2.81Å; E16-R19 IonicContact OE2-CZ 2.81Å; E16-R19 IonicContact OE2-NH1 3.04Å; E16-R19 PolarHBondContact OE2-NH1 2.98Å; E16-Q20 WeakPolarHBondContact O-CG 3.45Å; E16-Q20 PolarHBondContact O-N 3.47Å; E16-Q20 PolarHBondContact OE1-NE2 3.4Å
17Q90.6Very high87.1Confident65 Ų6576.7 Ų76.730%0.30437%0.372SS..Hα-helixtrans-57.3-44.5169.9-74.4174.7-23.700112Q13 R19 Q20 D21 V22Q13-Q17 WeakPolarHBondContact O-CG 2.93Å; Q13-Q17 PolarHBondContact O-N 3.22Å; Q17-R19 PolarHBondContact O-N 3.08Å; Q17-Q20 CarbonylContact O-C 3.28Å; Q17-Q20 PolarHBondContact O-N 2.96Å; Q17-D21 PolarHBondContact O-N 3.02Å; Q17-D21 VanDerWaalsContact O-N 3.08Å; Q17-V22 HydrophobicContact CB-CB 4.32Å; Q17-V22 PolarHBondContact O-N 2.89Å
18R92.4Very high88Confident36 Ų3669.8 Ų69.814%0.13634%0.34CS..Hα-helixtrans-58.1-45.4173.6178.2-164.166.8122.2-9.6111.9L14 N15 E16 Q20 D21 K36 L80 D81 Y84L14-R18 WeakPolarHBondContact O-CB 3.33Å; L14-R18 PolarHBondContact O-N 2.68Å; N15-R18 WeakPolarHBondContact O-CB 3.23Å; N15-R18 PolarHBondContact O-N 3.3Å; N15-R18 PolarHBondContact OD1-NE 3.38Å; N15-R18 PolarHBondContact OD1-NH2 2.96Å; E16-R18 VanDerWaalsContact C-N 3.34Å; E16-R18 PolarHBondContact O-N 3.42Å; R18-Q20 VanDerWaalsContact C-N 3.25Å; R18-Q20 PolarHBondContact O-N 3.49Å; R18-D21 PolarHBondContact O-N 3.31Å; R18-D21 VanDerWaalsContact O-N 3.16Å; R18-K36 WeakPolarHBondContact CG-O 3.1Å; R18-L80 VanDerWaalsContact NH1-CD2 3.31Å; R18-D81 IonicContact CZ-OD1 3.17Å; R18-D81 IonicContact NH1-OD1 3.76Å; R18-D81 PolarHBondContact NH1-OD1 3.42Å; R18-D81 IonicContact NH2-OD1 2.72Å; R18-D81 PolarHBondContact NH2-OD1 3.14Å; R18-Y84 HydrophobicContact CB-CD1 4.49Å; R18-Y84 HydrophobicContact CB-CE1 4.12Å
19R88.8Confident88.7Confident172 Ų17268.5 Ų68.565%0.64933%0.327SS*.Hα-helixtrans-66.2-27.8179.6-69.7174.575.4-113.6-4112.8N15 E16 Q17N15-R19 WeakPolarHBondContact O-CG 3.44Å; N15-R19 PolarHBondContact O-N 3.49Å; E16-R19 PolarHBondContact O-N 2.84Å; E16-R19 VanDerWaalsContact O-N 3.16Å; E16-R19 IonicContact OE1-NH1 3.45Å; E16-R19 PolarHBondContact OE1-NH1 2.81Å; E16-R19 IonicContact OE2-CZ 2.81Å; E16-R19 IonicContact OE2-NH1 3.04Å; E16-R19 PolarHBondContact OE2-NH1 2.98Å; Q17-R19 PolarHBondContact O-N 3.08Å
20Q91Very high89.3Confident120 Ų12063.5 Ų63.556%0.56130%0.304SS*.THydrogen-bonded Turntrans-91.84.1175.8-6417713.800113.4E16 Q17 R18 V22E16-Q20 WeakPolarHBondContact O-CG 3.45Å; E16-Q20 PolarHBondContact O-N 3.47Å; E16-Q20 PolarHBondContact OE1-NE2 3.4Å; Q17-Q20 CarbonylContact O-C 3.28Å; Q17-Q20 PolarHBondContact O-N 2.96Å; R18-Q20 VanDerWaalsContact C-N 3.25Å; R18-Q20 PolarHBondContact O-N 3.49Å; Q20-V22 HydrophobicContact CB-CG2 3.8Å; Q20-V22 PolarHBondContact O-N 3.49Å
21D88.1Confident89.4Confident77 Ų7765.1 Ų65.141%0.41231%0.309SS..THydrogen-bonded Turntrans57.827.8-176.1-161.620.6000114.6Q17 R18 K36Q17-D21 PolarHBondContact O-N 3.02Å; Q17-D21 VanDerWaalsContact O-N 3.08Å; R18-D21 PolarHBondContact O-N 3.31Å; R18-D21 VanDerWaalsContact O-N 3.16Å; D21-K36 VanDerWaalsContact CG-CD 3.45Å; D21-K36 WeakPolarHBondContact OD1-CD 3.49Å; D21-K36 IonicContact OD1-NZ 3.17Å; D21-K36 WeakPolarHBondContact OD2-CD 3.29Å; D21-K36 IonicContact OD2-NZ 3.37Å; D21-K36 PolarHBondContact OD2-NZ 3.02Å
22V88.6Confident89.4Confident53 Ų5365.5 Ų65.532%0.32133%0.325SS..  trans-90.5131.5179.2-170.90000108.8Q17 Q20 C24 H38Q17-V22 HydrophobicContact CB-CB 4.32Å; Q17-V22 PolarHBondContact O-N 2.89Å; Q20-V22 HydrophobicContact CB-CG2 3.8Å; Q20-V22 PolarHBondContact O-N 3.49Å; V22-C24 PolarHBondContact O-N 3.37Å; V22-C24 VanDerWaalsContact O-N 3.12Å; V22-H38 PolarHBondContact O-NE2 2.8Å
23F86.5Confident89.7Confident158 Ų15863.4 Ų63.469%0.69331%0.314SS*.SBendtrans5716-178.9-53.9-56.2000117D25 H38F23-D25 PolarHBondContact O-N 2.79Å; F23-D25 VanDerWaalsContact O-N 3.13Å; F23-H38 PolarHBondContact O-CD2 2.82Å
24C88.7Confident89.9Confident24 Ų2462.7 Ų62.716%0.16232%0.316CS..  trans-67.9107.4173.4-69.10000112V22 K36 A37V22-C24 PolarHBondContact O-N 3.37Å; V22-C24 VanDerWaalsContact O-N 3.12Å; C24-K36 HydrophobicContact CB-CB 3.93Å; C24-A37 CarbonylContact C-O 3.57Å; C24-A37 WeakPolarHBondContact CA-O 3.27Å
25D87.7Confident90Very high60 Ų6061.7 Ų61.732%0.32131%0.31SS..  trans-1030.8-17669.8-27.3000114.1F23 A37 H38 R39 P63 T64F23-D25 PolarHBondContact O-N 2.79Å; F23-D25 VanDerWaalsContact O-N 3.13Å; D25-A37 PolarHBondContact N-O 3.4Å; D25-H38 VanDerWaalsContact OD1-CA 3.3Å; D25-H38 WeakPolarHBondContact OD1-CA 3.47Å; D25-R39 VanDerWaalsContact CG-CD 3.42Å; D25-R39 WeakPolarHBondContact OD1-CG 3.48Å; D25-R39 PolarHBondContact OD1-N 2.93Å; D25-R39 WeakPolarHBondContact OD2-CB 3.35Å; D25-R39 WeakPolarHBondContact OD2-CD 3.37Å; D25-R39 WeakPolarHBondContact OD2-CG 3.25Å; D25-P63 WeakPolarHBondContact O-CA 3.37Å; D25-T64 PolarHBondContact O-N 3.17Å
26C88.9Confident90.2Very high0 Ų064.8 Ų64.80%032%0.322CS..EExtended strand (participates in β ladder)trans-135162.4165.764.50000113.5A37 R39 L42 L53 T64C26-A37 PolarHBondContact N-O 3.48Å; C26-A37 VanDerWaalsContact N-O 3.14Å; C26-A37 PolarHBondContact O-N 2.93Å; C26-A37 PolarHBondContact SG-O 3.25Å; C26-R39 HydrophobicContact CB-CG 3.65Å; C26-L42 VanDerWaalsContact SG-CD1 3.59Å; C26-L53 HydrophobicContact CB-CD2 4.5Å; C26-T64 WeakPolarHBondContact CA-O 3.46Å; C26-T64 VanDerWaalsContact CB-O 3.29Å; C26-T64 WeakPolarHBondContact CB-O 3.38Å
27S90.5Very high90.3Very high10 Ų1061.3 Ų61.37%0.0731%0.306CS..EExtended strand (participates in β ladder)trans-133.8132.6174-68.70000109.6F35 T64 T65 A66S27-F35 CarbonylContact C-O 3.51Å; S27-F35 WeakPolarHBondContact CA-O 3.42Å; S27-T64 PolarHBondContact N-O 3.41Å; S27-T65 VanDerWaalsContact O-CA 3.25Å; S27-T65 WeakPolarHBondContact O-CA 3.25Å; S27-A66 PolarHBondContact O-N 3.32Å
28I92Very high90.3Very high2 Ų258.9 Ų58.91%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-116120.6-180-66.5173.6000107.7V30 F35 L42 F49 A66 F68 F76I28-V30 HydrophobicContact CG2-CG2 3.93Å; I28-F35 HydrophobicContact CB-CB 4.37Å; I28-F35 PolarHBondContact N-O 3.36Å; I28-F35 PolarHBondContact O-N 3.5Å; I28-L42 HydrophobicContact CD1-CD1 3.73Å; I28-F49 HydrophobicContact CD1-CD1 4.45Å; I28-F49 HydrophobicContact CD1-CE1 3.97Å; I28-A66 CarbonylContact C-O 3.56Å; I28-A66 WeakPolarHBondContact CA-O 3.3Å; I28-F68 HydrophobicContact CD1-CE2 4.47Å; I28-F68 HydrophobicContact CG2-CD2 3.51Å; I28-F68 HydrophobicContact CG2-CE2 3.53Å; I28-F76 HydrophobicContact CB-CE1 4.29Å; I28-F76 HydrophobicContact CB-CZ 4.26Å; I28-F76 HydrophobicContact CD1-CE1 4.45Å; I28-F76 HydrophobicContact CD1-CZ 3.73Å; I28-F76 HydrophobicContact CG2-CE1 3.93Å; I28-F76 HydrophobicContact CG2-CE2 4.35Å; I28-F76 HydrophobicContact CG2-CZ 3.77Å
29L92.3Very high90.2Very high48 Ų4859 Ų5925%0.25130%0.295SS..EExtended strand (participates in β ladder)trans-89.9126.6170.3-79.878.6000108.9K33 V34 T65 A66 T67 F68L29-K33 WeakPolarHBondContact CA-O 3.31Å; L29-V34 HydrophobicContact CD1-CG2 4.3Å; L29-V34 HydrophobicContact CG-CG2 4.09Å; L29-T65 HydrophobicContact CD1-CG2 3.52Å; L29-A66 PolarHBondContact N-O 2.68Å; L29-T67 HydrophobicContact CB-CG2 4.11Å; L29-T67 CarbonylContact O-C 3.57Å; L29-T67 WeakPolarHBondContact O-CA 3.38Å; L29-F68 PolarHBondContact O-N 2.88Å
30V93.9Very high90.2Very high0 Ų056.8 Ų56.80%030%0.296CS..EExtended strand (participates in β ladder)trans-122.5114.9167.9-170.20000107.1I28 G32 K33 F35 F68 F71 P73 F76I28-V30 HydrophobicContact CG2-CG2 3.93Å; V30-G32 PolarHBondContact O-N 2.91Å; V30-K33 PolarHBondContact N-O 3.47Å; V30-K33 WeakPolarHBondContact O-CB 3.46Å; V30-K33 PolarHBondContact O-N 3.26Å; V30-F35 HydrophobicContact CB-CD2 4.41Å; V30-F35 HydrophobicContact CB-CE2 4Å; V30-F35 HydrophobicContact CG2-CD2 4.02Å; V30-F35 HydrophobicContact CG2-CE2 3.99Å; V30-F68 HydrophobicContact CG2-CB 4.41Å; V30-F68 HydrophobicContact CG2-CD2 4.27Å; V30-F71 HydrophobicContact CG1-CD2 3.88Å; V30-F71 HydrophobicContact CG1-CE2 3.88Å; V30-F71 VanDerWaalsContact CG1-O 3.25Å; V30-F71 WeakPolarHBondContact CG1-O 3.42Å; V30-F71 HydrophobicContact CG2-CE2 4.14Å; V30-P73 HydrophobicContact CB-CB 4.32Å; V30-P73 HydrophobicContact CB-CG 4.46Å; V30-P73 HydrophobicContact CG1-CB 4.36Å; V30-P73 HydrophobicContact CG1-CG 4.27Å; V30-P73 WeakPolarHBondContact O-CG 3.25Å; V30-F76 HydrophobicContact CB-CB 4.47Å; V30-F76 HydrophobicContact CG1-CB 4.33Å; V30-F76 HydrophobicContact CG2-CB 3.88Å; V30-F76 HydrophobicContact CG2-CD1 3.73Å; V30-F76 HydrophobicContact CG2-CD2 4.17Å; V30-F76 HydrophobicContact CG2-CE1 4.34Å; V30-F76 HydrophobicContact CG2-CG 3.64Å
31E89.3Confident90.2Very high121 Ų12151.9 Ų51.957%0.56528%0.275SS*.THydrogen-bonded Turntrans48.433.2-177.9-53.3-171.815100114F68 P73E31-F68 PolarHBondContact N-O 3.12Å; E31-P73 HydrophobicContact CB-CG 4.03Å; E31-P73 WeakPolarHBondContact OE2-CD 3.33Å
32G84.6Confident90.4Very high58 Ų5848.3 Ų48.360%0.59826%0.255SS*.THydrogen-bonded Turntrans91.5-15.4-178.700000115.8V30V30-G32 PolarHBondContact O-N 2.91Å
33K92.2Very high90.5Very high89 Ų8948.3 Ų48.339%0.38725%0.251SS..EExtended strand (participates in β ladder)trans-77125.6172.9-164.3-178-175.5-171.30109.2L29 V30 F35 P73 D74L29-K33 WeakPolarHBondContact CA-O 3.31Å; V30-K33 PolarHBondContact N-O 3.47Å; V30-K33 WeakPolarHBondContact O-CB 3.46Å; V30-K33 PolarHBondContact O-N 3.26Å; K33-F35 HydrophobicContact CB-CE2 4.01Å; K33-F35 HydrophobicContact CD-CE2 3.91Å; K33-F35 HydrophobicContact CD-CZ 3.65Å; K33-F35 HydrophobicContact CG-CE2 3.95Å; K33-F35 HydrophobicContact CG-CZ 4.12Å; K33-F35 WeakPolarHBondContact O-CD2 3.38Å; K33-P73 HydrophobicContact CB-CB 3.93Å; K33-P73 HydrophobicContact CB-CG 4.19Å; K33-P73 HydrophobicContact CD-CB 3.36Å; K33-P73 HydrophobicContact CD-CG 4.24Å; K33-P73 HydrophobicContact CG-CB 4.29Å; K33-D74 IonicContact NZ-OD1 3.83Å; K33-D74 PolarHBondContact NZ-OD1 2.93Å
34V92Very high90.7Very high82 Ų8245.1 Ų45.150%0.49725%0.254SS..EExtended strand (participates in β ladder)trans-90127.8-179.1-177.10000110.6L29 K36L29-V34 HydrophobicContact CD1-CG2 4.3Å; L29-V34 HydrophobicContact CG-CG2 4.09Å; V34-K36 HydrophobicContact CG1-CG 4.38Å
35F93.4Very high90.7Very high20 Ų2045.7 Ų45.79%0.08826%0.258CS..EExtended strand (participates in β ladder)trans-115.1119.2174.2-66.5-92.6000110S27 I28 V30 K33 P73 F76 T77 L80S27-F35 CarbonylContact C-O 3.51Å; S27-F35 WeakPolarHBondContact CA-O 3.42Å; I28-F35 HydrophobicContact CB-CB 4.37Å; I28-F35 PolarHBondContact N-O 3.36Å; I28-F35 PolarHBondContact O-N 3.5Å; V30-F35 HydrophobicContact CB-CD2 4.41Å; V30-F35 HydrophobicContact CB-CE2 4Å; V30-F35 HydrophobicContact CG2-CD2 4.02Å; V30-F35 HydrophobicContact CG2-CE2 3.99Å; K33-F35 HydrophobicContact CB-CE2 4.01Å; K33-F35 HydrophobicContact CD-CE2 3.91Å; K33-F35 HydrophobicContact CD-CZ 3.65Å; K33-F35 HydrophobicContact CG-CE2 3.95Å; K33-F35 HydrophobicContact CG-CZ 4.12Å; K33-F35 WeakPolarHBondContact O-CD2 3.38Å; F35-P73 HydrophobicContact CE2-CB 4.01Å; F35-P73 HydrophobicContact CZ-CB 4Å; F35-P73 VanDerWaalsContact CZ-O 3.22Å; F35-P73 WeakPolarHBondContact CZ-O 3.23Å; F35-F76 HydrophobicContact CB-CD1 4.27Å; F35-F76 HydrophobicContact CB-CE1 3.82Å; F35-F76 AromaticContact CD1-CD1 3.88Å; F35-F76 HydrophobicContact CD1-CD1 3.88Å; F35-F76 HydrophobicContact CD1-CE1 4.15Å; F35-F76 AromaticContact CD2-CD1 3.64Å; F35-F76 HydrophobicContact CD2-CD1 3.64Å; F35-F76 HydrophobicContact CD2-CE1 4.02Å; F35-F76 HydrophobicContact CE1-CD1 4.06Å; F35-F76 AromaticContact CE2-CD1 3.84Å; F35-F76 HydrophobicContact CE2-CD1 3.84Å; F35-F76 AromaticContact CG-CD1 3.65Å; F35-F76 HydrophobicContact CG-CD1 3.65Å; F35-F76 AromaticContact CG-CE1 3.73Å; F35-F76 HydrophobicContact CG-CE1 3.73Å; F35-F76 HydrophobicContact CZ-CD1 4.03Å; F35-T77 VanDerWaalsContact CE1-OG1 3.3Å; F35-T77 WeakPolarHBondContact CE1-OG1 3.44Å; F35-T77 WeakPolarHBondContact CZ-OG1 3.26Å; F35-L80 HydrophobicContact CB-CD2 4.16Å; F35-L80 HydrophobicContact CD1-CD2 3.85Å; F35-L80 HydrophobicContact CG-CD2 4.4Å
36K92.5Very high90.8Very high91 Ų9143.1 Ų43.140%0.39625%0.245SC..EExtended strand (participates in β ladder)trans-93.6142.1176.3-60.7-169179.3-173.10110.6R18 D21 C24 V34R18-K36 WeakPolarHBondContact CG-O 3.1Å; D21-K36 VanDerWaalsContact CG-CD 3.45Å; D21-K36 WeakPolarHBondContact OD1-CD 3.49Å; D21-K36 IonicContact OD1-NZ 3.17Å; D21-K36 WeakPolarHBondContact OD2-CD 3.29Å; D21-K36 IonicContact OD2-NZ 3.37Å; D21-K36 PolarHBondContact OD2-NZ 3.02Å; C24-K36 HydrophobicContact CB-CB 3.93Å; V34-K36 HydrophobicContact CG1-CG 4.38Å
37A92.6Very high90.8Very high1 Ų145.4 Ų45.41%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-158.9167.9-174.300000112.3C24 D25 C26 L42 L80C24-A37 CarbonylContact C-O 3.57Å; C24-A37 WeakPolarHBondContact CA-O 3.27Å; D25-A37 PolarHBondContact N-O 3.4Å; C26-A37 PolarHBondContact N-O 3.48Å; C26-A37 VanDerWaalsContact N-O 3.14Å; C26-A37 PolarHBondContact O-N 2.93Å; C26-A37 PolarHBondContact SG-O 3.25Å; A37-L42 HydrophobicContact CB-CD1 3.96Å; A37-L42 HydrophobicContact CB-CG 4.39Å; A37-L80 HydrophobicContact CB-CD1 4.4Å
38H91.4Very high90.8Very high15 Ų1546.9 Ų46.97%0.06927%0.273CS..  trans-90.4125.4168.7-48.788.5000110.8L14 V22 F23 D25 N40 V41 L42 Y84L14-H38 PolarHBondContact O-CE1 2.91Å; V22-H38 PolarHBondContact O-NE2 2.8Å; F23-H38 PolarHBondContact O-CD2 2.82Å; D25-H38 VanDerWaalsContact OD1-CA 3.3Å; D25-H38 WeakPolarHBondContact OD1-CA 3.47Å; H38-N40 VanDerWaalsContact C-N 3.33Å; H38-N40 PolarHBondContact O-N 2.79Å; H38-V41 HydrophobicContact CB-CG2 3.98Å; H38-V41 PolarHBondContact O-N 3.23Å; H38-L42 PolarHBondContact O-N 2.78Å; H38-Y84 WeakPolarHBondContact CB-OH 3.45Å; H38-Y84 PolarHBondContact N-OH 3.43Å; H38-Y84 AromaticContact ND1-CE1 3.66Å; H38-Y84 AromaticContact ND1-CZ 3.8Å; H38-Y84 PolarHBondContact ND1-OH 3Å; H38-Y84 VanDerWaalsContact ND1-OH 3.09Å
39R89.9Confident90.8Very high38 Ų3846.9 Ų46.914%0.14327%0.273CS..Hα-helixtrans-54.3-46.8176.5-72164.3110.9151.1-6.2111.7D25 C26 V41 L42 F43 L53 N56 T64D25-R39 VanDerWaalsContact CG-CD 3.42Å; D25-R39 WeakPolarHBondContact OD1-CG 3.48Å; D25-R39 PolarHBondContact OD1-N 2.93Å; D25-R39 WeakPolarHBondContact OD2-CB 3.35Å; D25-R39 WeakPolarHBondContact OD2-CD 3.37Å; D25-R39 WeakPolarHBondContact OD2-CG 3.25Å; C26-R39 HydrophobicContact CB-CG 3.65Å; R39-V41 VanDerWaalsContact C-N 3.28Å; R39-V41 PolarHBondContact O-N 3.41Å; R39-L42 CarbonylContact O-C 3.53Å; R39-L42 PolarHBondContact O-N 3.16Å; R39-L42 VanDerWaalsContact O-N 3.11Å; R39-F43 HydrophobicContact CB-CD1 4.35Å; R39-F43 HydrophobicContact CB-CE1 3.71Å; R39-F43 HydrophobicContact CB-CE2 4.4Å; R39-F43 HydrophobicContact CB-CZ 3.78Å; R39-F43 HydrophobicContact CG-CE1 4.21Å; R39-F43 HydrophobicContact CG-CZ 4.26Å; R39-F43 WeakPolarHBondContact O-CB 3.39Å; R39-F43 WeakPolarHBondContact O-CD1 3.45Å; R39-F43 VanDerWaalsContact O-CG 3.24Å; R39-F43 WeakPolarHBondContact O-CG 3.37Å; R39-F43 PolarHBondContact O-N 2.83Å; R39-L53 PolarHBondContact NH2-O 2.86Å; R39-N56 PolarHBondContact NH2-O 2.88Å; R39-T64 VanDerWaalsContact CZ-CB 3.42Å; R39-T64 PolarHBondContact NH1-OG1 2.9Å; R39-T64 PolarHBondContact NH2-OG1 3.43Å
40N89.2Confident90.6Very high125 Ų12550.4 Ų50.467%0.66829%0.286SS*.Hα-helixtrans-57.6-38.2-177-68.7-25.7000113.1H38 F43 A44H38-N40 VanDerWaalsContact C-N 3.33Å; H38-N40 PolarHBondContact O-N 2.79Å; N40-F43 PolarHBondContact O-N 3.36Å; N40-A44 PolarHBondContact O-N 3.23Å; N40-A44 VanDerWaalsContact O-N 3.12Å
41V90.9Very high90.3Very high18 Ų1855 Ų5511%0.10931%0.309CS..Hα-helixtrans-71.5-42.3178.2-172.90000110.5L11 L14 H38 R39 F43 A44 S45 V83 Y84L11-V41 HydrophobicContact CD1-CG1 4.27Å; L14-V41 HydrophobicContact CD1-CG2 4.1Å; H38-V41 HydrophobicContact CB-CG2 3.98Å; H38-V41 PolarHBondContact O-N 3.23Å; R39-V41 VanDerWaalsContact C-N 3.28Å; R39-V41 PolarHBondContact O-N 3.41Å; V41-F43 VanDerWaalsContact C-N 3.34Å; V41-F43 PolarHBondContact O-N 3.05Å; V41-A44 PolarHBondContact O-N 2.96Å; V41-S45 PolarHBondContact O-N 3.39Å; V41-V83 HydrophobicContact CG1-CG1 3.69Å; V41-Y84 HydrophobicContact CB-CE1 4.2Å; V41-Y84 HydrophobicContact CB-CE2 4.32Å; V41-Y84 HydrophobicContact CG1-CD1 4.34Å; V41-Y84 HydrophobicContact CG1-CD2 4.38Å; V41-Y84 HydrophobicContact CG1-CE1 4Å; V41-Y84 HydrophobicContact CG1-CE2 4Å; V41-Y84 HydrophobicContact CG2-CE1 4.03Å
42L91.4Very high90.1Very high1 Ų152 Ų521%0.00530%0.296CS..Hα-helixtrans-64.7-35.7174.7-64174.1000112.6C26 I28 A37 H38 R39 A44 S45 S46 F49 L53 L80 V83C26-L42 VanDerWaalsContact SG-CD1 3.59Å; I28-L42 HydrophobicContact CD1-CD1 3.73Å; A37-L42 HydrophobicContact CB-CD1 3.96Å; A37-L42 HydrophobicContact CB-CG 4.39Å; H38-L42 PolarHBondContact O-N 2.78Å; R39-L42 CarbonylContact O-C 3.53Å; R39-L42 PolarHBondContact O-N 3.16Å; R39-L42 VanDerWaalsContact O-N 3.11Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-S45 PolarHBondContact O-N 3.4Å; L42-S45 PolarHBondContact O-OG 3.27Å; L42-S45 VanDerWaalsContact O-OG 3.11Å; L42-S46 PolarHBondContact O-N 3.01Å; L42-F49 HydrophobicContact CB-CB 3.92Å; L42-F49 HydrophobicContact CB-CD2 3.87Å; L42-F49 HydrophobicContact CB-CG 3.94Å; L42-F49 HydrophobicContact CD2-CD2 4Å; L42-F49 HydrophobicContact CD2-CE2 3.83Å; L42-F49 HydrophobicContact CD2-CG 4.48Å; L42-F49 HydrophobicContact CD2-CZ 4.15Å; L42-F49 HydrophobicContact CG-CD2 4.48Å; L42-F49 WeakPolarHBondContact O-CD2 3.29Å; L42-L53 HydrophobicContact CD1-CD1 3.99Å; L42-L80 HydrophobicContact CD2-CD1 4.06Å; L42-V83 HydrophobicContact CD2-CG1 4.41Å
43F91.5Very high90.1Very high53 Ų5349.2 Ų49.223%0.23227%0.268CS..Hα-helixtrans-71.3-32.1179.2-68.413.5000111.4R39 N40 V41 K50 L53R39-F43 HydrophobicContact CB-CD1 4.35Å; R39-F43 HydrophobicContact CB-CE1 3.71Å; R39-F43 HydrophobicContact CB-CE2 4.4Å; R39-F43 HydrophobicContact CB-CZ 3.78Å; R39-F43 HydrophobicContact CG-CE1 4.21Å; R39-F43 HydrophobicContact CG-CZ 4.26Å; R39-F43 WeakPolarHBondContact O-CB 3.39Å; R39-F43 WeakPolarHBondContact O-CD1 3.45Å; R39-F43 VanDerWaalsContact O-CG 3.24Å; R39-F43 WeakPolarHBondContact O-CG 3.37Å; R39-F43 PolarHBondContact O-N 2.83Å; N40-F43 PolarHBondContact O-N 3.36Å; V41-F43 VanDerWaalsContact C-N 3.34Å; V41-F43 PolarHBondContact O-N 3.05Å; F43-K50 HydrophobicContact CB-CB 4.12Å; F43-K50 HydrophobicContact CB-CG 4.35Å; F43-K50 HydrophobicContact CD1-CB 4.2Å; F43-K50 HydrophobicContact CD2-CB 4.41Å; F43-K50 HydrophobicContact CD2-CG 4.02Å; F43-K50 HydrophobicContact CG-CB 3.96Å; F43-K50 HydrophobicContact CG-CG 4.08Å; F43-L53 HydrophobicContact CE1-CB 3.59Å; F43-L53 HydrophobicContact CE1-CD1 4.01Å; F43-L53 HydrophobicContact CE1-CG 4.43Å; F43-L53 HydrophobicContact CZ-CB 3.98Å
44A89.1Confident89.5Confident92 Ų9247.6 Ų47.676%0.7627%0.268SS*.Hα-helixtrans-71.3-33.4171.600000111.8N40 V41 L42N40-A44 PolarHBondContact O-N 3.23Å; N40-A44 VanDerWaalsContact O-N 3.12Å; V41-A44 PolarHBondContact O-N 2.96Å; L42-A44 VanDerWaalsContact C-N 3.33Å
45S88.6Confident88.2Confident35 Ų3550.7 Ų50.725%0.24528%0.277CS..Hα-helixtrans-85.5-21.9-178.876.30000115V41 L42 V83V41-S45 PolarHBondContact O-N 3.39Å; L42-S45 PolarHBondContact O-N 3.4Å; L42-S45 PolarHBondContact O-OG 3.27Å; L42-S45 VanDerWaalsContact O-OG 3.11Å; S45-V83 WeakPolarHBondContact OG-CG2 3.33Å
46S91.7Very high86.4Confident7 Ų754.3 Ų54.35%0.04930%0.297CS..  trans-157.8135.9172.9-179.90000114.6L42 Y48 F49 K50 L105L42-S46 PolarHBondContact O-N 3.01Å; S46-Y48 PolarHBondContact O-N 3.33Å; S46-Y48 WeakPolarHBondContact OG-CB 3.42Å; S46-Y48 PolarHBondContact OG-N 3.01Å; S46-F49 PolarHBondContact O-N 3.05Å; S46-K50 PolarHBondContact O-N 2.8Å; S46-L105 WeakPolarHBondContact CB-O 3.49Å; S46-L105 PolarHBondContact OG-O 3.47Å
47G87.8Confident84.5Confident48 Ų4854.3 Ų54.350%0.49531%0.308SS..Hα-helixtrans-61.5-25.8166.700000113.7K50 M51G47-K50 PolarHBondContact O-N 2.69Å; G47-M51 WeakPolarHBondContact O-CB 3.47Å; G47-M51 PolarHBondContact O-N 3.45Å
48Y91.6Very high82.6Confident41 Ų4163.1 Ų63.116%0.16135%0.347CS..Hα-helixtrans-68-44.9175-179.2-94.3000111.7S46 K50 M51 L52 F68 F104 L105S46-Y48 PolarHBondContact O-N 3.33Å; S46-Y48 WeakPolarHBondContact OG-CB 3.42Å; S46-Y48 PolarHBondContact OG-N 3.01Å; Y48-K50 VanDerWaalsContact C-N 3.33Å; Y48-K50 PolarHBondContact O-N 3.38Å; Y48-M51 HydrophobicContact CD2-CE 3.56Å; Y48-M51 HydrophobicContact CE2-CE 3.97Å; Y48-M51 HydrophobicContact CG-CE 4.46Å; Y48-M51 PolarHBondContact O-N 2.93Å; Y48-L52 HydrophobicContact CE1-CD2 4.02Å; Y48-L52 WeakPolarHBondContact O-CB 3.39Å; Y48-L52 PolarHBondContact O-N 3.47Å; Y48-F68 AromaticContact CE1-CE1 3.86Å; Y48-F68 HydrophobicContact CE1-CE1 3.86Å; Y48-F68 HydrophobicContact CE1-CZ 4.11Å; Y48-F104 HydrophobicContact CE1-CD1 4.41Å; Y48-F104 AromaticContact CE1-CE1 3.9Å; Y48-F104 HydrophobicContact CE1-CE1 3.9Å; Y48-F104 AromaticContact CZ-CE1 3.8Å; Y48-F104 WeakPolarHBondContact OH-CE1 3.45Å; Y48-F104 WeakPolarHBondContact OH-CZ 2.97Å; Y48-L105 HydrophobicContact CD1-CD2 3.82Å; Y48-L105 HydrophobicContact CE1-CD2 3.95Å
49F90.7Very high80.6Confident1 Ų171.1 Ų71.10%0.00438%0.384CS..Hα-helixtrans-61.6-42.4173-72-51.7000111.4I28 L42 S46 M51 L52 L53 F68 F76 L105I28-F49 HydrophobicContact CD1-CD1 4.45Å; I28-F49 HydrophobicContact CD1-CE1 3.97Å; L42-F49 HydrophobicContact CB-CB 3.92Å; L42-F49 HydrophobicContact CB-CD2 3.87Å; L42-F49 HydrophobicContact CB-CG 3.94Å; L42-F49 HydrophobicContact CD2-CD2 4Å; L42-F49 HydrophobicContact CD2-CE2 3.83Å; L42-F49 HydrophobicContact CD2-CG 4.48Å; L42-F49 HydrophobicContact CD2-CZ 4.15Å; L42-F49 HydrophobicContact CG-CD2 4.48Å; L42-F49 WeakPolarHBondContact O-CD2 3.29Å; S46-F49 PolarHBondContact O-N 3.05Å; F49-M51 VanDerWaalsContact C-N 3.35Å; F49-M51 PolarHBondContact O-N 3.26Å; F49-L52 PolarHBondContact O-N 2.98Å; F49-L53 HydrophobicContact CB-CD1 4.39Å; F49-L53 VanDerWaalsContact O-CB 3.29Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; F49-L53 WeakPolarHBondContact O-CG 3.37Å; F49-L53 PolarHBondContact O-N 3.11Å; F49-F68 HydrophobicContact CE1-CE2 4.06Å; F49-F68 HydrophobicContact CE1-CZ 4.13Å; F49-F76 HydrophobicContact CE1-CE2 4.44Å; F49-F76 HydrophobicContact CZ-CE2 4.06Å; F49-F76 HydrophobicContact CZ-CZ 4.44Å; F49-L105 HydrophobicContact CE1-CD2 3.74Å; F49-L105 HydrophobicContact CZ-CD1 3.88Å; F49-L105 HydrophobicContact CZ-CD2 3.77Å; F49-L105 HydrophobicContact CZ-CG 4.34Å
50K88.1Confident78.6Confident122 Ų12274.4 Ų74.453%0.5341%0.409SS..Hα-helixtrans-59.8-42.3175.5-173.1177.41791790112.1F43 S46 G47 Y48 S54F43-K50 HydrophobicContact CB-CB 4.12Å; F43-K50 HydrophobicContact CB-CG 4.35Å; F43-K50 HydrophobicContact CD1-CB 4.2Å; F43-K50 HydrophobicContact CD2-CB 4.41Å; F43-K50 HydrophobicContact CD2-CG 4.02Å; F43-K50 HydrophobicContact CG-CB 3.96Å; F43-K50 HydrophobicContact CG-CG 4.08Å; S46-K50 PolarHBondContact O-N 2.8Å; G47-K50 PolarHBondContact O-N 2.69Å; Y48-K50 VanDerWaalsContact C-N 3.33Å; Y48-K50 PolarHBondContact O-N 3.38Å; K50-S54 WeakPolarHBondContact O-CB 3.49Å; K50-S54 PolarHBondContact O-N 2.96Å; K50-S54 PolarHBondContact O-OG 2.89Å
51M88.4Confident77.1Confident98 Ų9874.5 Ų74.548%0.48342%0.419SS..Hα-helixtrans-64.2-47175.6174.6174.45900112.2G47 Y48 F49 S54 Q55G47-M51 WeakPolarHBondContact O-CB 3.47Å; G47-M51 PolarHBondContact O-N 3.45Å; Y48-M51 HydrophobicContact CD2-CE 3.56Å; Y48-M51 HydrophobicContact CE2-CE 3.97Å; Y48-M51 HydrophobicContact CG-CE 4.46Å; Y48-M51 PolarHBondContact O-N 2.93Å; F49-M51 VanDerWaalsContact C-N 3.35Å; F49-M51 PolarHBondContact O-N 3.26Å; M51-S54 PolarHBondContact O-OG 3.24Å; M51-Q55 PolarHBondContact O-NE2 3.32Å
52L85.6Confident75.4Confident56 Ų5680.6 Ų80.629%0.29345%0.446SS..Hα-helixtrans-70.2-40.9-175.2-175.763.1000113Y48 F49 A66 F68Y48-L52 HydrophobicContact CE1-CD2 4.02Å; Y48-L52 WeakPolarHBondContact O-CB 3.39Å; Y48-L52 PolarHBondContact O-N 3.47Å; F49-L52 PolarHBondContact O-N 2.98Å; L52-A66 HydrophobicContact CD2-CB 3.85Å; L52-A66 HydrophobicContact CG-CB 4.24Å; L52-F68 HydrophobicContact CD2-CE1 3.63Å; L52-F68 HydrophobicContact CD2-CZ 3.5Å; L52-F68 VanDerWaalsContact CD2-CZ 3.5Å
53L83.9Confident74.1Confident1 Ų183.4 Ų83.41%0.00547%0.465CS..Hα-helixtrans-98.1-2-170.6-63.4170.8000114C26 R39 L42 F43 F49 T64 A66C26-L53 HydrophobicContact CB-CD2 4.5Å; R39-L53 PolarHBondContact NH2-O 2.86Å; L42-L53 HydrophobicContact CD1-CD1 3.99Å; F43-L53 HydrophobicContact CE1-CB 3.59Å; F43-L53 HydrophobicContact CE1-CD1 4.01Å; F43-L53 HydrophobicContact CE1-CG 4.43Å; F43-L53 HydrophobicContact CZ-CB 3.98Å; F49-L53 HydrophobicContact CB-CD1 4.39Å; F49-L53 VanDerWaalsContact O-CB 3.29Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; F49-L53 WeakPolarHBondContact O-CG 3.37Å; F49-L53 PolarHBondContact O-N 3.11Å; L53-T64 HydrophobicContact CD2-CG2 3.76Å; L53-A66 HydrophobicContact CD2-CB 3.83Å
54S79.4Confident73.4Confident55 Ų5581.5 Ų81.539%0.38546%0.457SS..Hα-helixtrans-84.3-25.5176.5520000113.9K50 M51 N56 S57K50-S54 WeakPolarHBondContact O-CB 3.49Å; K50-S54 PolarHBondContact O-N 2.96Å; K50-S54 PolarHBondContact O-OG 2.89Å; M51-S54 PolarHBondContact O-OG 3.24Å; S54-N56 VanDerWaalsContact C-N 3.29Å; S54-N56 PolarHBondContact O-N 3.25Å; S54-S57 PolarHBondContact O-OG 2.79Å
55Q64.2Low73Confident147 Ų14780.7 Ų80.769%0.68744%0.443SS*.SBendtrans-66.8-30.8-175.2-59.1-177.316.300112.6M51 S57M51-Q55 PolarHBondContact O-NE2 3.32Å; Q55-S57 PolarHBondContact O-N 2.95Å
56N56.3Low72.7Confident95 Ų9579.5 Ų79.551%0.50844%0.435SS..  trans-9661.6-178.5-60.8-17.6000111.1R39 S54 T64R39-N56 PolarHBondContact NH2-O 2.88Å; S54-N56 VanDerWaalsContact C-N 3.29Å; S54-N56 PolarHBondContact O-N 3.25Å; N56-T64 HydrophobicContact CB-CG2 3.67Å; N56-T64 PolarHBondContact O-OG1 2.78Å; N56-T64 VanDerWaalsContact O-OG1 3.11Å
57S52.2Low72.5Confident91 Ų9183.4 Ų83.464%0.63646%0.459SS*.  trans-1192-178.650.30000114.1S54 Q55S54-S57 PolarHBondContact O-OG 2.79Å; Q55-S57 PolarHBondContact O-N 2.95Å
58K52Low72.6Confident186 Ų18681.4 Ų81.481%0.80944%0.437SS*.SBendtrans-108.5115.7177.2-66.5-178.4-179.6179.20109.9
59E50.4Low72.3Confident184 Ų18487.4 Ų87.486%0.8647%0.466SS*.SBendtrans67.5155.6174.4-54.5-176.3123.900116.6
60T48.8Very low72Confident107 Ų10789.9 Ų89.966%0.65649%0.486SS*.  trans73127.4-178.4-37.70000116.6Q62T60-Q62 HydrophobicContact CG2-CB 4.04Å; T60-Q62 HydrophobicContact CG2-CG 3.79Å; T60-Q62 PolarHBondContact O-N 3.44Å
61S55.8Low72.2Confident127 Ų12784.5 Ų84.589%0.88846%0.463SS*.SBendtrans-80.342.6175.562.50000113.4
62Q56.7Low72.5Confident146 Ų14681.3 Ų81.368%0.68245%0.45SS*.SBendtrans-109.7144180-78.8-177.514.100111.3T60 T64T60-Q62 HydrophobicContact CG2-CB 4.04Å; T60-Q62 HydrophobicContact CG2-CG 3.79Å; T60-Q62 PolarHBondContact O-N 3.44Å; Q62-T64 PolarHBondContact O-N 2.8Å
63P64Low72.9Confident60 Ų6079.5 Ų79.539%0.3944%0.442SS..PPolyproline II helixtrans-62.4127177.327.1-34.1000109.3D25 T65D25-P63 WeakPolarHBondContact O-CA 3.37Å; P63-T65 PolarHBondContact O-N 3.36Å; P63-T65 VanDerWaalsContact O-N 3.16Å; P63-T65 PolarHBondContact O-OG1 3.28Å
64T75.9Confident73.4Confident12 Ų1284.4 Ų84.47%0.07447%0.469CS..EExtended strand (participates in β ladder)trans-64.8124.2-177.4-74.20000110D25 C26 S27 R39 L53 N56 Q62D25-T64 PolarHBondContact O-N 3.17Å; C26-T64 WeakPolarHBondContact CA-O 3.46Å; C26-T64 VanDerWaalsContact CB-O 3.29Å; C26-T64 WeakPolarHBondContact CB-O 3.38Å; S27-T64 PolarHBondContact N-O 3.41Å; R39-T64 VanDerWaalsContact CZ-CB 3.42Å; R39-T64 PolarHBondContact NH1-OG1 2.9Å; R39-T64 PolarHBondContact NH2-OG1 3.43Å; L53-T64 HydrophobicContact CD2-CG2 3.76Å; N56-T64 HydrophobicContact CB-CG2 3.67Å; N56-T64 PolarHBondContact O-OG1 2.78Å; N56-T64 VanDerWaalsContact O-OG1 3.11Å; Q62-T64 PolarHBondContact O-N 2.8Å
65T80.3Confident74.1Confident75 Ų7582.1 Ų82.146%0.4645%0.452SS..EExtended strand (participates in β ladder)trans-102.6133.3-172.2-62.30000110.7S27 L29 P63S27-T65 VanDerWaalsContact O-CA 3.25Å; S27-T65 WeakPolarHBondContact O-CA 3.25Å; L29-T65 HydrophobicContact CD1-CG2 3.52Å; P63-T65 PolarHBondContact O-N 3.36Å; P63-T65 VanDerWaalsContact O-N 3.16Å; P63-T65 PolarHBondContact O-OG1 3.28Å
66A83.8Confident75.6Confident10 Ų1075.1 Ų75.18%0.08342%0.42CS..EExtended strand (participates in β ladder)trans-132.5148.1174.700000110.2S27 I28 L29 L52 L53S27-A66 PolarHBondContact O-N 3.32Å; I28-A66 CarbonylContact C-O 3.56Å; I28-A66 WeakPolarHBondContact CA-O 3.3Å; L29-A66 PolarHBondContact N-O 2.68Å; L52-A66 HydrophobicContact CD2-CB 3.85Å; L52-A66 HydrophobicContact CG-CB 4.24Å; L53-A66 HydrophobicContact CD2-CB 3.83Å
67T86.7Confident77.4Confident89 Ų8972.5 Ų72.555%0.54641%0.407SS..EExtended strand (participates in β ladder)trans-126.8135.2-172.9-54.20000111.4L29L29-T67 HydrophobicContact CB-CG2 4.11Å; L29-T67 CarbonylContact O-C 3.57Å; L29-T67 WeakPolarHBondContact O-CA 3.38Å
68F89Confident79.3Confident7 Ų769.6 Ų69.63%0.03139%0.385CS..EExtended strand (participates in β ladder)trans-125.2144.3175.7-56.8-56.4000111.8I28 L29 V30 E31 Y48 F49 L52 F71 F76 F104 L105I28-F68 HydrophobicContact CD1-CE2 4.47Å; I28-F68 HydrophobicContact CG2-CD2 3.51Å; I28-F68 HydrophobicContact CG2-CE2 3.53Å; L29-F68 PolarHBondContact O-N 2.88Å; V30-F68 HydrophobicContact CG2-CB 4.41Å; V30-F68 HydrophobicContact CG2-CD2 4.27Å; E31-F68 PolarHBondContact N-O 3.12Å; Y48-F68 AromaticContact CE1-CE1 3.86Å; Y48-F68 HydrophobicContact CE1-CE1 3.86Å; Y48-F68 HydrophobicContact CE1-CZ 4.11Å; F49-F68 HydrophobicContact CE1-CE2 4.06Å; F49-F68 HydrophobicContact CE1-CZ 4.13Å; L52-F68 HydrophobicContact CD2-CE1 3.63Å; L52-F68 HydrophobicContact CD2-CZ 3.5Å; L52-F68 VanDerWaalsContact CD2-CZ 3.5Å; F68-F71 HydrophobicContact CB-CE1 4.48Å; F68-F71 HydrophobicContact CB-CE2 4.04Å; F68-F71 HydrophobicContact CB-CZ 3.79Å; F68-F71 HydrophobicContact CD1-CZ 4.49Å; F68-F71 HydrophobicContact CD2-CE2 4.3Å; F68-F71 AromaticContact CD2-CZ 3.84Å; F68-F71 HydrophobicContact CD2-CZ 3.84Å; F68-F71 HydrophobicContact CG-CE2 4.39Å; F68-F71 AromaticContact CG-CZ 3.79Å; F68-F71 HydrophobicContact CG-CZ 3.79Å; F68-F76 HydrophobicContact CE2-CE2 4.48Å; F68-F104 AromaticContact CD1-CE1 3.81Å; F68-F104 HydrophobicContact CD1-CE1 3.81Å; F68-F104 HydrophobicContact CD1-CZ 4.34Å; F68-F104 AromaticContact CE1-CE1 3.89Å; F68-F104 HydrophobicContact CE1-CE1 3.89Å; F68-L105 HydrophobicContact CE1-CD2 4.48Å; F68-L105 HydrophobicContact CE2-CD2 4.35Å; F68-L105 HydrophobicContact CZ-CD2 4.07Å
69Q85.8Confident81.3Confident167 Ų16760.8 Ų60.878%0.7835%0.347SS*.  trans-137.725.1176.3-64.8-177.7-34.500110.9
70A85.6Confident83.3Confident52 Ų5252.2 Ų52.243%0.4331%0.307SS..SBendtrans-106.7-4.6-171.700000113.9F104A70-F104 HydrophobicContact CB-CD2 4.11Å; A70-F104 HydrophobicContact CB-CE2 4.09Å; A70-F104 HydrophobicContact CB-CG 4.44Å; A70-F104 HydrophobicContact CB-CZ 4.4Å
71F92.3Very high85.3Confident9 Ų950 Ų504%0.03929%0.291CS..SBendtrans-166.5157.3-175.943.2-103.6000109.2V30 F68 T75 F76 A101 F104 L105V30-F71 HydrophobicContact CG1-CD2 3.88Å; V30-F71 HydrophobicContact CG1-CE2 3.88Å; V30-F71 VanDerWaalsContact CG1-O 3.25Å; V30-F71 WeakPolarHBondContact CG1-O 3.42Å; V30-F71 HydrophobicContact CG2-CE2 4.14Å; F68-F71 HydrophobicContact CB-CE1 4.48Å; F68-F71 HydrophobicContact CB-CE2 4.04Å; F68-F71 HydrophobicContact CB-CZ 3.79Å; F68-F71 HydrophobicContact CD1-CZ 4.49Å; F68-F71 HydrophobicContact CD2-CE2 4.3Å; F68-F71 AromaticContact CD2-CZ 3.84Å; F68-F71 HydrophobicContact CD2-CZ 3.84Å; F68-F71 HydrophobicContact CG-CE2 4.39Å; F68-F71 AromaticContact CG-CZ 3.79Å; F68-F71 HydrophobicContact CG-CZ 3.79Å; F71-T75 HydrophobicContact CB-CG2 4.1Å; F71-F76 HydrophobicContact CD2-CB 4.08Å; F71-F76 HydrophobicContact CD2-CD2 4.47Å; F71-F76 HydrophobicContact CE2-CB 3.86Å; F71-F76 AromaticContact CE2-CD2 3.54Å; F71-F76 HydrophobicContact CE2-CD2 3.54Å; F71-F76 HydrophobicContact CE2-CE2 4.48Å; F71-F76 HydrophobicContact CE2-CG 4.03Å; F71-F76 HydrophobicContact CZ-CD2 4.02Å; F71-A101 HydrophobicContact CB-CB 3.74Å; F71-A101 HydrophobicContact CD1-CB 3.45Å; F71-A101 VanDerWaalsContact CD1-CB 3.45Å; F71-A101 HydrophobicContact CD2-CB 4.41Å; F71-A101 HydrophobicContact CE1-CB 4.14Å; F71-A101 HydrophobicContact CG-CB 3.6Å; F71-F104 AromaticContact CE1-CD1 3.85Å; F71-F104 HydrophobicContact CE1-CD1 3.85Å; F71-F104 HydrophobicContact CE1-CE1 4.37Å; F71-F104 HydrophobicContact CE1-CG 4.41Å; F71-L105 HydrophobicContact CE1-CD1 4.34Å; F71-L105 HydrophobicContact CE1-CG 4.25Å; F71-L105 HydrophobicContact CZ-CD1 4.13Å; F71-L105 HydrophobicContact CZ-CD2 4.4Å; F71-L105 HydrophobicContact CZ-CG 4.36Å
72S93.1Very high86.9Confident31 Ų3145.9 Ų45.922%0.21726%0.257CS..  trans-68.1158.6-178.568.30000112.5D74 T75 F76 E97S72-D74 PolarHBondContact O-N 3.17Å; S72-T75 PolarHBondContact O-N 2.9Å; S72-T75 WeakPolarHBondContact OG-CB 3.35Å; S72-T75 PolarHBondContact OG-N 3.16Å; S72-T75 PolarHBondContact OG-OG1 3.21Å; S72-F76 PolarHBondContact O-N 2.97Å; S72-E97 VanDerWaalsContact CB-OE1 3.23Å; S72-E97 WeakPolarHBondContact CB-OE1 3.45Å; S72-E97 PolarHBondContact N-OE1 3.3Å; S72-E97 PolarHBondContact OG-OE1 3.4Å
73P94.6Very high88.6Confident19 Ų1939.5 Ų39.512%0.12323%0.229CC..Hα-helixtrans-65.3-24.7176.3-17.731.3000112.7V30 E31 K33 F35 F76 T77V30-P73 HydrophobicContact CB-CB 4.32Å; V30-P73 HydrophobicContact CB-CG 4.46Å; V30-P73 HydrophobicContact CG1-CB 4.36Å; V30-P73 HydrophobicContact CG1-CG 4.27Å; V30-P73 WeakPolarHBondContact O-CG 3.25Å; E31-P73 HydrophobicContact CB-CG 4.03Å; E31-P73 WeakPolarHBondContact OE2-CD 3.33Å; K33-P73 HydrophobicContact CB-CB 3.93Å; K33-P73 HydrophobicContact CB-CG 4.19Å; K33-P73 HydrophobicContact CD-CB 3.36Å; K33-P73 HydrophobicContact CD-CG 4.24Å; K33-P73 HydrophobicContact CG-CB 4.29Å; F35-P73 HydrophobicContact CE2-CB 4.01Å; F35-P73 HydrophobicContact CZ-CB 4Å; F35-P73 VanDerWaalsContact CZ-O 3.22Å; F35-P73 WeakPolarHBondContact CZ-O 3.23Å; P73-F76 PolarHBondContact O-N 3.39Å; P73-T77 PolarHBondContact O-N 3.31Å; P73-T77 PolarHBondContact O-OG1 3.17Å
74D93.9Very high89.8Confident104 Ų10436.7 Ų36.756%0.55621%0.21SC*.Hα-helixtrans-81.9-35.5-178.8-62.3-20.2000111K33 S72 F76 T77 V78K33-D74 IonicContact NZ-OD1 3.83Å; K33-D74 PolarHBondContact NZ-OD1 2.93Å; S72-D74 PolarHBondContact O-N 3.17Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 3.08Å; D74-T77 WeakPolarHBondContact O-CB 3.4Å; D74-T77 PolarHBondContact O-N 3.45Å; D74-T77 VanDerWaalsContact O-N 3.13Å; D74-V78 PolarHBondContact O-N 3.43Å
75T94.7Very high90.3Very high6 Ų638.1 Ų38.14%0.03722%0.221CC..Hα-helixtrans-58.3-42.3163-74.80000111.8F71 S72 T77 V78 I79 E97 V98 A101F71-T75 HydrophobicContact CB-CG2 4.1Å; S72-T75 PolarHBondContact O-N 2.9Å; S72-T75 WeakPolarHBondContact OG-CB 3.35Å; S72-T75 PolarHBondContact OG-N 3.16Å; S72-T75 PolarHBondContact OG-OG1 3.21Å; T75-T77 VanDerWaalsContact C-N 3.3Å; T75-T77 PolarHBondContact O-N 2.93Å; T75-V78 PolarHBondContact O-N 3.09Å; T75-I79 HydrophobicContact CG2-CD1 4.31Å; T75-I79 PolarHBondContact O-N 3.18Å; T75-I79 VanDerWaalsContact O-N 3.11Å; T75-E97 WeakPolarHBondContact CB-OE1 3.13Å; T75-E97 HydrophobicContact CG2-CG 4.25Å; T75-E97 PolarHBondContact OG1-OE1 2.96Å; T75-V98 HydrophobicContact CG2-CG2 4.14Å; T75-A101 HydrophobicContact CG2-CB 3.54Å
76F95.1Very high90.5Very high1 Ų137 Ų370%0.00422%0.224CC..Hα-helixtrans-65.3-34.4174.4-169.6-104.8000112.7I28 V30 F35 F49 F68 F71 S72 P73 D74 I79 L80 L105I28-F76 HydrophobicContact CB-CE1 4.29Å; I28-F76 HydrophobicContact CB-CZ 4.26Å; I28-F76 HydrophobicContact CD1-CE1 4.45Å; I28-F76 HydrophobicContact CD1-CZ 3.73Å; I28-F76 HydrophobicContact CG2-CE1 3.93Å; I28-F76 HydrophobicContact CG2-CE2 4.35Å; I28-F76 HydrophobicContact CG2-CZ 3.77Å; V30-F76 HydrophobicContact CB-CB 4.47Å; V30-F76 HydrophobicContact CG1-CB 4.33Å; V30-F76 HydrophobicContact CG2-CB 3.88Å; V30-F76 HydrophobicContact CG2-CD1 3.73Å; V30-F76 HydrophobicContact CG2-CD2 4.17Å; V30-F76 HydrophobicContact CG2-CE1 4.34Å; V30-F76 HydrophobicContact CG2-CG 3.64Å; F35-F76 HydrophobicContact CB-CD1 4.27Å; F35-F76 HydrophobicContact CB-CE1 3.82Å; F35-F76 AromaticContact CD1-CD1 3.88Å; F35-F76 HydrophobicContact CD1-CD1 3.88Å; F35-F76 HydrophobicContact CD1-CE1 4.15Å; F35-F76 AromaticContact CD2-CD1 3.64Å; F35-F76 HydrophobicContact CD2-CD1 3.64Å; F35-F76 HydrophobicContact CD2-CE1 4.02Å; F35-F76 HydrophobicContact CE1-CD1 4.06Å; F35-F76 AromaticContact CE2-CD1 3.84Å; F35-F76 HydrophobicContact CE2-CD1 3.84Å; F35-F76 AromaticContact CG-CD1 3.65Å; F35-F76 HydrophobicContact CG-CD1 3.65Å; F35-F76 AromaticContact CG-CE1 3.73Å; F35-F76 HydrophobicContact CG-CE1 3.73Å; F35-F76 HydrophobicContact CZ-CD1 4.03Å; F49-F76 HydrophobicContact CE1-CE2 4.44Å; F49-F76 HydrophobicContact CZ-CE2 4.06Å; F49-F76 HydrophobicContact CZ-CZ 4.44Å; F68-F76 HydrophobicContact CE2-CE2 4.48Å; F71-F76 HydrophobicContact CD2-CB 4.08Å; F71-F76 HydrophobicContact CD2-CD2 4.47Å; F71-F76 HydrophobicContact CE2-CB 3.86Å; F71-F76 AromaticContact CE2-CD2 3.54Å; F71-F76 HydrophobicContact CE2-CD2 3.54Å; F71-F76 HydrophobicContact CE2-CE2 4.48Å; F71-F76 HydrophobicContact CE2-CG 4.03Å; F71-F76 HydrophobicContact CZ-CD2 4.02Å; S72-F76 PolarHBondContact O-N 2.97Å; P73-F76 PolarHBondContact O-N 3.39Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 3.08Å; F76-I79 PolarHBondContact O-N 3.43Å; F76-L80 HydrophobicContact CE1-CB 4.3Å; F76-L80 HydrophobicContact CE1-CD2 4.11Å; F76-L80 VanDerWaalsContact O-CB 3.32Å; F76-L80 WeakPolarHBondContact O-CB 3.4Å; F76-L80 PolarHBondContact O-N 3Å; F76-L105 HydrophobicContact CD2-CD1 4.4Å; F76-L105 HydrophobicContact CE2-CD1 4.25Å
77T93.9Very high90.5Very high40 Ų4044.1 Ų44.125%0.24525%0.253CS..Hα-helixtrans-61.2-46.3174.6-52.80000110.6F35 P73 D74 T75 I79 L80 D81F35-T77 VanDerWaalsContact CE1-OG1 3.3Å; F35-T77 WeakPolarHBondContact CE1-OG1 3.44Å; F35-T77 WeakPolarHBondContact CZ-OG1 3.26Å; P73-T77 PolarHBondContact O-N 3.31Å; P73-T77 PolarHBondContact O-OG1 3.17Å; D74-T77 WeakPolarHBondContact O-CB 3.4Å; D74-T77 PolarHBondContact O-N 3.45Å; D74-T77 VanDerWaalsContact O-N 3.13Å; T75-T77 VanDerWaalsContact C-N 3.3Å; T75-T77 PolarHBondContact O-N 2.93Å; T77-I79 VanDerWaalsContact C-N 3.33Å; T77-I79 PolarHBondContact O-N 3.16Å; T77-L80 PolarHBondContact O-N 2.97Å; T77-D81 WeakPolarHBondContact O-CB 3.4Å; T77-D81 PolarHBondContact O-N 2.74Å
78V93.4Very high90.7Very high30 Ų3041.4 Ų41.418%0.18224%0.235CC..Hα-helixtrans-60.2-40.4176173.60000112.2D74 T75 F82 L88 V98D74-V78 PolarHBondContact O-N 3.43Å; T75-V78 PolarHBondContact O-N 3.09Å; V78-F82 WeakPolarHBondContact O-CB 3.37Å; V78-F82 PolarHBondContact O-N 2.8Å; V78-F82 VanDerWaalsContact O-N 3.08Å; V78-L88 HydrophobicContact CG1-CD1 4.04Å; V78-V98 HydrophobicContact CB-CG2 4.44Å; V78-V98 HydrophobicContact CG1-CG2 4.13Å
79I93.6Very high90.7Very high1 Ų145.1 Ų45.11%0.00526%0.262CS..Hα-helixtrans-69.8-43.7177.4-69.4174.8000111.3T75 F76 T77 F82 V83 V98 A101 L105 M107T75-I79 HydrophobicContact CG2-CD1 4.31Å; T75-I79 PolarHBondContact O-N 3.18Å; T75-I79 VanDerWaalsContact O-N 3.11Å; F76-I79 PolarHBondContact O-N 3.43Å; T77-I79 VanDerWaalsContact C-N 3.33Å; T77-I79 PolarHBondContact O-N 3.16Å; I79-F82 WeakPolarHBondContact O-CB 3.44Å; I79-F82 PolarHBondContact O-N 2.62Å; I79-V83 WeakPolarHBondContact O-CG2 3.4Å; I79-V83 PolarHBondContact O-N 3.16Å; I79-V98 HydrophobicContact CG1-CG1 4.29Å; I79-A101 HydrophobicContact CD1-CB 3.51Å; I79-L105 HydrophobicContact CD1-CD1 4.24Å; I79-L105 HydrophobicContact CG2-CD1 4.11Å; I79-M107 HydrophobicContact CG2-CE 4.44Å; I79-M107 HydrophobicContact CG2-SD 3.67Å
80L92.8Very high90.9Very high3 Ų338.4 Ų38.42%0.01623%0.231CC..Hα-helixtrans-66.6-40.6179.9-172.863.4000111.5R18 F35 A37 L42 F76 T77 F82 V83 Y84R18-L80 VanDerWaalsContact NH1-CD2 3.31Å; F35-L80 HydrophobicContact CB-CD2 4.16Å; F35-L80 HydrophobicContact CD1-CD2 3.85Å; F35-L80 HydrophobicContact CG-CD2 4.4Å; A37-L80 HydrophobicContact CB-CD1 4.4Å; L42-L80 HydrophobicContact CD2-CD1 4.06Å; F76-L80 HydrophobicContact CE1-CB 4.3Å; F76-L80 HydrophobicContact CE1-CD2 4.11Å; F76-L80 VanDerWaalsContact O-CB 3.32Å; F76-L80 WeakPolarHBondContact O-CB 3.4Å; F76-L80 PolarHBondContact O-N 3Å; T77-L80 PolarHBondContact O-N 2.97Å; L80-F82 VanDerWaalsContact C-N 3.34Å; L80-V83 WeakPolarHBondContact O-CB 3.35Å; L80-V83 PolarHBondContact O-N 3.17Å; L80-Y84 HydrophobicContact CD1-CD2 3.91Å; L80-Y84 HydrophobicContact CD1-CE2 3.75Å; L80-Y84 HydrophobicContact CG-CD2 4.34Å; L80-Y84 WeakPolarHBondContact O-CD2 3.42Å; L80-Y84 PolarHBondContact O-N 3.03Å; L80-Y84 VanDerWaalsContact O-N 3.09Å
81D89.9Confident91.2Very high62 Ų6239.2 Ų39.233%0.33223%0.231SC..Hα-helixtrans-68.8-32175.6-73.4-12.3000111.9R18 T77 Y84 S85R18-D81 IonicContact CZ-OD1 3.17Å; R18-D81 IonicContact NH1-OD1 3.76Å; R18-D81 PolarHBondContact NH1-OD1 3.42Å; R18-D81 IonicContact NH2-OD1 2.72Å; R18-D81 PolarHBondContact NH2-OD1 3.14Å; T77-D81 WeakPolarHBondContact O-CB 3.4Å; T77-D81 PolarHBondContact O-N 2.74Å; D81-Y84 CarbonylContact O-C 3.55Å; D81-Y84 PolarHBondContact O-N 3.18Å; D81-S85 VanDerWaalsContact O-CB 3.25Å; D81-S85 WeakPolarHBondContact O-CB 3.43Å; D81-S85 PolarHBondContact O-N 3.09Å; D81-S85 PolarHBondContact O-OG 3.3Å
82F90.8Very high90.9Very high39 Ų3942 Ų4217%0.17126%0.262CS..Hα-helixtrans-61.9-47.7167.3167.5-97.7000111.8V78 I79 L80 Y84 S85 G86 K87 L88 M107 V110V78-F82 WeakPolarHBondContact O-CB 3.37Å; V78-F82 PolarHBondContact O-N 2.8Å; V78-F82 VanDerWaalsContact O-N 3.08Å; I79-F82 WeakPolarHBondContact O-CB 3.44Å; I79-F82 PolarHBondContact O-N 2.62Å; L80-F82 VanDerWaalsContact C-N 3.34Å; F82-Y84 PolarHBondContact O-N 3.41Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 VanDerWaalsContact O-N 3.17Å; F82-G86 WeakPolarHBondContact O-CA 3.25Å; F82-G86 PolarHBondContact O-N 2.82Å; F82-K87 WeakPolarHBondContact CA-O 3.32Å; F82-L88 HydrophobicContact CB-CB 4.47Å; F82-L88 HydrophobicContact CB-CD1 3.73Å; F82-L88 HydrophobicContact CD2-CB 3.77Å; F82-L88 HydrophobicContact CD2-CD1 4.24Å; F82-L88 HydrophobicContact CE2-CB 4.45Å; F82-L88 HydrophobicContact CG-CB 4.35Å; F82-L88 HydrophobicContact CG-CD1 3.97Å; F82-M107 HydrophobicContact CD1-CE 4.09Å; F82-M107 HydrophobicContact CE1-CE 4.05Å; F82-V110 HydrophobicContact CD1-CG2 3.53Å; F82-V110 HydrophobicContact CE1-CG2 3.31Å; F82-V110 HydrophobicContact CG-CG2 4.35Å; F82-V110 HydrophobicContact CZ-CG2 3.96Å
83V90.8Very high90.7Very high13 Ų1349 Ų498%0.07929%0.291CS..Hα-helixtrans-56.4-33.9177.9168.30000112.2V41 L42 S45 I79 L80 M107V41-V83 HydrophobicContact CG1-CG1 3.69Å; L42-V83 HydrophobicContact CD2-CG1 4.41Å; S45-V83 WeakPolarHBondContact OG-CG2 3.33Å; I79-V83 WeakPolarHBondContact O-CG2 3.4Å; I79-V83 PolarHBondContact O-N 3.16Å; L80-V83 WeakPolarHBondContact O-CB 3.35Å; L80-V83 PolarHBondContact O-N 3.17Å; V83-M107 HydrophobicContact CG2-CE 3.62Å
84Y90.2Very high90.6Very high0 Ų049.6 Ų49.60%029%0.293CS..THydrogen-bonded Turntrans-101.59.3-178.5-80-92.1000115L14 N15 R18 H38 V41 L80 D81 F82L14-Y84 HydrophobicContact CB-CD1 4.36Å; L14-Y84 HydrophobicContact CB-CE1 4.22Å; N15-Y84 HydrophobicContact CB-CD1 4.08Å; N15-Y84 HydrophobicContact CB-CG 4.43Å; N15-Y84 WeakPolarHBondContact CB-O 3.49Å; N15-Y84 PolarHBondContact ND2-O 2.91Å; N15-Y84 VanDerWaalsContact ND2-O 3.14Å; R18-Y84 HydrophobicContact CB-CD1 4.49Å; R18-Y84 HydrophobicContact CB-CE1 4.12Å; H38-Y84 WeakPolarHBondContact CB-OH 3.45Å; H38-Y84 PolarHBondContact N-OH 3.43Å; H38-Y84 AromaticContact ND1-CE1 3.66Å; H38-Y84 AromaticContact ND1-CZ 3.8Å; H38-Y84 PolarHBondContact ND1-OH 3Å; H38-Y84 VanDerWaalsContact ND1-OH 3.09Å; V41-Y84 HydrophobicContact CB-CE1 4.2Å; V41-Y84 HydrophobicContact CB-CE2 4.32Å; V41-Y84 HydrophobicContact CG1-CD1 4.34Å; V41-Y84 HydrophobicContact CG1-CD2 4.38Å; V41-Y84 HydrophobicContact CG1-CE1 4Å; V41-Y84 HydrophobicContact CG1-CE2 4Å; V41-Y84 HydrophobicContact CG2-CE1 4.03Å; L80-Y84 HydrophobicContact CD1-CD2 3.91Å; L80-Y84 HydrophobicContact CD1-CE2 3.75Å; L80-Y84 HydrophobicContact CG-CD2 4.34Å; L80-Y84 WeakPolarHBondContact O-CD2 3.42Å; L80-Y84 PolarHBondContact O-N 3.03Å; L80-Y84 VanDerWaalsContact O-N 3.09Å; D81-Y84 CarbonylContact O-C 3.55Å; D81-Y84 PolarHBondContact O-N 3.18Å; F82-Y84 PolarHBondContact O-N 3.41Å
85S85.9Confident90.6Very high43 Ų4345 Ų4530%0.30127%0.269SS..THydrogen-bonded Turntrans-147.6-12.6178.473.10000116.2D81 F82 K87D81-S85 VanDerWaalsContact O-CB 3.25Å; D81-S85 WeakPolarHBondContact O-CB 3.43Å; D81-S85 PolarHBondContact O-N 3.09Å; D81-S85 PolarHBondContact O-OG 3.3Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 VanDerWaalsContact O-N 3.17Å; S85-K87 PolarHBondContact O-N 3.16Å; S85-K87 PolarHBondContact OG-N 2.94Å; S85-K87 VanDerWaalsContact OG-N 3.16Å
86G84.2Confident90.6Very high51 Ų5149.7 Ų49.753%0.52629%0.293SS..SBendtrans69.42.6-17000000114.8F82F82-G86 WeakPolarHBondContact O-CA 3.25Å; F82-G86 PolarHBondContact O-N 2.82Å
87K84.6Confident90.6Very high159 Ų15953.3 Ų53.369%0.69131%0.31SS*.  trans-107.2125.7-176.6-61.3174.6-175.8176.70110.4F82 S85F82-K87 WeakPolarHBondContact CA-O 3.32Å; S85-K87 PolarHBondContact O-N 3.16Å; S85-K87 PolarHBondContact OG-N 2.94Å; S85-K87 VanDerWaalsContact OG-N 3.16Å
88L90.5Very high90.6Very high32 Ų3251.4 Ų51.417%0.16830%0.298CS..  trans-111.7112.7-178.3-170.172.2000110.5V78 F82 L90 V98 V110 V113V78-L88 HydrophobicContact CG1-CD1 4.04Å; F82-L88 HydrophobicContact CB-CB 4.47Å; F82-L88 HydrophobicContact CB-CD1 3.73Å; F82-L88 HydrophobicContact CD2-CB 3.77Å; F82-L88 HydrophobicContact CD2-CD1 4.24Å; F82-L88 HydrophobicContact CE2-CB 4.45Å; F82-L88 HydrophobicContact CG-CB 4.35Å; F82-L88 HydrophobicContact CG-CD1 3.97Å; L88-L90 HydrophobicContact CD2-CD1 3.87Å; L88-L90 HydrophobicContact CD2-CD2 3.83Å; L88-L90 HydrophobicContact CD2-CG 3.81Å; L88-L90 HydrophobicContact CG-CD2 3.91Å; L88-L90 HydrophobicContact CG-CG 3.93Å; L88-L90 PolarHBondContact O-N 3.28Å; L88-L90 VanDerWaalsContact O-N 3.15Å; L88-V98 HydrophobicContact CD1-CG1 4.21Å; L88-V110 HydrophobicContact CD1-CG1 4.07Å; L88-V110 HydrophobicContact CD2-CG1 3.83Å; L88-V113 HydrophobicContact CD2-CB 4.07Å; L88-V113 HydrophobicContact CD2-CG1 3.79Å
89S88.6Confident90.7Very high86 Ų8652 Ų5260%0.60130%0.299SS*.  trans-84.683.6-177.2-60.90000111.9N94S89-N94 PolarHBondContact O-ND2 3.04Å
90L91.1Very high90.8Very high25 Ų2555.4 Ų55.413%0.13132%0.323CS..  trans-90.6140.5178.2-62.8-177000113L88 N94 V95 V98 V113 C114 F117L88-L90 HydrophobicContact CD2-CD1 3.87Å; L88-L90 HydrophobicContact CD2-CD2 3.83Å; L88-L90 HydrophobicContact CD2-CG 3.81Å; L88-L90 HydrophobicContact CG-CD2 3.91Å; L88-L90 HydrophobicContact CG-CG 3.93Å; L88-L90 PolarHBondContact O-N 3.28Å; L88-L90 VanDerWaalsContact O-N 3.15Å; L90-N94 WeakPolarHBondContact CA-OD1 3.28Å; L90-V95 HydrophobicContact CD1-CG2 3.98Å; L90-V95 HydrophobicContact CD2-CB 4.34Å; L90-V95 HydrophobicContact CD2-CG2 4.13Å; L90-V95 HydrophobicContact CG-CG2 4.49Å; L90-V98 HydrophobicContact CD2-CB 4.19Å; L90-V98 HydrophobicContact CD2-CG1 3.89Å; L90-V113 HydrophobicContact CD1-CG1 4.05Å; L90-C114 HydrophobicContact CD1-CB 4.45Å; L90-F117 HydrophobicContact CB-CD1 4.33Å; L90-F117 HydrophobicContact CB-CD2 3.75Å; L90-F117 HydrophobicContact CB-CE1 4.35Å; L90-F117 HydrophobicContact CB-CE2 3.78Å; L90-F117 HydrophobicContact CB-CG 4.03Å; L90-F117 HydrophobicContact CB-CZ 4.09Å; L90-F117 HydrophobicContact CD1-CB 3.65Å; L90-F117 HydrophobicContact CD1-CD1 4.44Å; L90-F117 HydrophobicContact CD1-CD2 4.1Å; L90-F117 HydrophobicContact CD1-CG 3.83Å
91T90.6Very high90.9Very high70 Ų7055.3 Ų55.343%0.42932%0.323SS..  trans-132.9163.9171.271.20000109.4Q93 N94 V95T91-Q93 PolarHBondContact O-N 3.16Å; T91-Q93 VanDerWaalsContact O-N 3.16Å; T91-Q93 PolarHBondContact OG1-N 2.83Å; T91-N94 PolarHBondContact N-OD1 3.13Å; T91-N94 PolarHBondContact O-N 2.62Å; T91-N94 PolarHBondContact O-OD1 3.19Å; T91-N94 PolarHBondContact OG1-N 3.26Å; T91-N94 PolarHBondContact OG1-OD1 3.42Å; T91-V95 WeakPolarHBondContact O-CB 3.48Å; T91-V95 WeakPolarHBondContact O-CG1 3.28Å; T91-V95 PolarHBondContact O-N 2.92Å; T91-V95 VanDerWaalsContact O-N 3.12Å
92G87Confident91.2Very high66 Ų6652.3 Ų52.368%0.6831%0.307SS*.THydrogen-bonded Turntrans-57.6-27.6174.500000113.6
93Q88.9Confident91.4Very high178 Ų17854.1 Ų54.183%0.83232%0.324SS*.THydrogen-bonded Turntrans-82.4-39.6-179.7-166.864.328.800113T91T91-Q93 PolarHBondContact O-N 3.16Å; T91-Q93 VanDerWaalsContact O-N 3.16Å; T91-Q93 PolarHBondContact OG1-N 2.83Å
94N93.1Very high91.5Very high33 Ų3357.7 Ų57.718%0.17634%0.339CS..THydrogen-bonded Turntrans-94.1-18.9-172.978.61.3000114.6S89 L90 T91 I96 E97 V98S89-N94 PolarHBondContact O-ND2 3.04Å; L90-N94 WeakPolarHBondContact CA-OD1 3.28Å; T91-N94 PolarHBondContact N-OD1 3.13Å; T91-N94 PolarHBondContact O-N 2.62Å; T91-N94 PolarHBondContact O-OD1 3.19Å; T91-N94 PolarHBondContact OG1-N 3.26Å; T91-N94 PolarHBondContact OG1-OD1 3.42Å; N94-I96 VanDerWaalsContact C-N 3.28Å; N94-I96 PolarHBondContact O-N 3.14Å; N94-I96 VanDerWaalsContact O-N 3.16Å; N94-E97 PolarHBondContact O-N 3.23Å; N94-E97 VanDerWaalsContact O-N 3.12Å; N94-V98 HydrophobicContact CB-CG2 4.28Å; N94-V98 WeakPolarHBondContact O-CG2 3.4Å; N94-V98 PolarHBondContact O-N 2.73Å
95V93.7Very high91.7Very high6 Ų657.7 Ų57.74%0.03634%0.339CS..Hα-helixtrans-61.8-31.8-167.564.70000114L90 T91 M99 C114 F117 I118L90-V95 HydrophobicContact CD1-CG2 3.98Å; L90-V95 HydrophobicContact CD2-CB 4.34Å; L90-V95 HydrophobicContact CD2-CG2 4.13Å; L90-V95 HydrophobicContact CG-CG2 4.49Å; T91-V95 WeakPolarHBondContact O-CB 3.48Å; T91-V95 WeakPolarHBondContact O-CG1 3.28Å; T91-V95 PolarHBondContact O-N 2.92Å; T91-V95 VanDerWaalsContact O-N 3.12Å; V95-M99 WeakPolarHBondContact O-CB 3.47Å; V95-M99 PolarHBondContact O-N 3.26Å; V95-C114 HydrophobicContact CG2-CB 3.85Å; V95-F117 HydrophobicContact CB-CD1 4.05Å; V95-F117 HydrophobicContact CB-CE1 4.19Å; V95-F117 HydrophobicContact CG1-CD1 4.13Å; V95-F117 HydrophobicContact CG1-CE1 4.12Å; V95-F117 HydrophobicContact CG2-CD1 3.81Å; V95-F117 HydrophobicContact CG2-CE1 4.45Å; V95-F117 HydrophobicContact CG2-CG 4.46Å; V95-I118 HydrophobicContact CG1-CD1 4.46Å; V95-I118 HydrophobicContact CG1-CG1 3.96Å; V95-I118 HydrophobicContact CG2-CD1 4.06Å; V95-I118 HydrophobicContact CG2-CG1 3.84Å
96I93.6Very high92.1Very high105 Ų10560.9 Ų60.954%0.53835%0.349SS..Hα-helixtrans-71.2-43.2177.8-55.7-57.1000111.2N94 M99 S100 I118N94-I96 VanDerWaalsContact C-N 3.28Å; N94-I96 PolarHBondContact O-N 3.14Å; N94-I96 VanDerWaalsContact O-N 3.16Å; I96-M99 HydrophobicContact CD1-CE 4.18Å; I96-M99 PolarHBondContact O-N 3.29Å; I96-S100 WeakPolarHBondContact O-CB 3.4Å; I96-S100 PolarHBondContact O-N 3.37Å; I96-I118 HydrophobicContact CD1-CD1 3.87Å
97E94.7Very high92.5Very high77 Ų7758.9 Ų58.936%0.3633%0.326SS..Hα-helixtrans-69.5-44.3178.6-158.7-168.8132.700111.1S72 T75 N94 M99 S100 A101S72-E97 VanDerWaalsContact CB-OE1 3.23Å; S72-E97 WeakPolarHBondContact CB-OE1 3.45Å; S72-E97 PolarHBondContact N-OE1 3.3Å; S72-E97 PolarHBondContact OG-OE1 3.4Å; T75-E97 WeakPolarHBondContact CB-OE1 3.13Å; T75-E97 HydrophobicContact CG2-CG 4.25Å; T75-E97 PolarHBondContact OG1-OE1 2.96Å; N94-E97 PolarHBondContact O-N 3.23Å; N94-E97 VanDerWaalsContact O-N 3.12Å; E97-M99 VanDerWaalsContact C-N 3.32Å; E97-M99 PolarHBondContact O-N 3.35Å; E97-S100 WeakPolarHBondContact O-CB 3.46Å; E97-S100 PolarHBondContact O-N 2.7Å; E97-S100 VanDerWaalsContact O-N 3.13Å; E97-A101 WeakPolarHBondContact O-CB 3.41Å; E97-A101 PolarHBondContact O-N 2.88Å
98V95.2Very high92.8Very high0 Ų056 Ų560%032%0.322CS..Hα-helixtrans-60.3-40.3173.9175.10000111.2T75 V78 I79 L88 L90 N94 A102 V110T75-V98 HydrophobicContact CG2-CG2 4.14Å; V78-V98 HydrophobicContact CB-CG2 4.44Å; V78-V98 HydrophobicContact CG1-CG2 4.13Å; I79-V98 HydrophobicContact CG1-CG1 4.29Å; L88-V98 HydrophobicContact CD1-CG1 4.21Å; L90-V98 HydrophobicContact CD2-CB 4.19Å; L90-V98 HydrophobicContact CD2-CG1 3.89Å; N94-V98 HydrophobicContact CB-CG2 4.28Å; N94-V98 WeakPolarHBondContact O-CG2 3.4Å; N94-V98 PolarHBondContact O-N 2.73Å; V98-A102 WeakPolarHBondContact O-CB 3.32Å; V98-A102 PolarHBondContact O-N 3.33Å; V98-V110 HydrophobicContact CG1-CG1 4.21Å
99M94.9Very high92.7Very high44 Ų4459.8 Ų59.822%0.21734%0.342CS..Hα-helixtrans-67.3-37174.7-174.9171.359.100112.6V95 I96 E97 S103 I111 C114 K115 I118V95-M99 WeakPolarHBondContact O-CB 3.47Å; V95-M99 PolarHBondContact O-N 3.26Å; I96-M99 HydrophobicContact CD1-CE 4.18Å; I96-M99 PolarHBondContact O-N 3.29Å; E97-M99 VanDerWaalsContact C-N 3.32Å; E97-M99 PolarHBondContact O-N 3.35Å; M99-S103 WeakPolarHBondContact O-CB 2.93Å; M99-S103 PolarHBondContact O-N 3.08Å; M99-I111 HydrophobicContact CG-CG2 4.49Å; M99-C114 HydrophobicContact CB-CB 3.79Å; M99-C114 HydrophobicContact CG-CB 3.99Å; M99-C114 HydrophobicContact SD-CB 4.06Å; M99-K115 HydrophobicContact SD-CG 4.14Å; M99-I118 HydrophobicContact CE-CD1 3.6Å; M99-I118 HydrophobicContact SD-CD1 3.94Å
100S95.9Very high92.8Very high71 Ų7155.8 Ų55.850%0.49731%0.314SS..Hα-helixtrans-65.7-50.9175.5-171.80000111.4I96 E97 A102 S103 F104I96-S100 WeakPolarHBondContact O-CB 3.4Å; I96-S100 PolarHBondContact O-N 3.37Å; E97-S100 WeakPolarHBondContact O-CB 3.46Å; E97-S100 PolarHBondContact O-N 2.7Å; E97-S100 VanDerWaalsContact O-N 3.13Å; S100-A102 VanDerWaalsContact C-N 3.35Å; S100-A102 PolarHBondContact O-N 2.97Å; S100-S103 WeakPolarHBondContact O-CA 3.42Å; S100-S103 WeakPolarHBondContact O-CB 3.38Å; S100-S103 PolarHBondContact O-N 3.15Å; S100-F104 PolarHBondContact O-N 2.74Å
101A95.4Very high92.9Very high1 Ų155.7 Ų55.71%0.00831%0.314CS..Hα-helixtrans-61.2-40.9176.500000112.1F71 T75 I79 E97 S103 F104 L105F71-A101 HydrophobicContact CB-CB 3.74Å; F71-A101 HydrophobicContact CD1-CB 3.45Å; F71-A101 VanDerWaalsContact CD1-CB 3.45Å; F71-A101 HydrophobicContact CD2-CB 4.41Å; F71-A101 HydrophobicContact CE1-CB 4.14Å; F71-A101 HydrophobicContact CG-CB 3.6Å; T75-A101 HydrophobicContact CG2-CB 3.54Å; I79-A101 HydrophobicContact CD1-CB 3.51Å; E97-A101 WeakPolarHBondContact O-CB 3.41Å; E97-A101 PolarHBondContact O-N 2.88Å; A101-S103 VanDerWaalsContact C-N 3.31Å; A101-S103 PolarHBondContact O-N 3.22Å; A101-F104 PolarHBondContact O-N 3.12Å; A101-L105 WeakPolarHBondContact O-CB 3.42Å; A101-L105 WeakPolarHBondContact O-CG 3.38Å; A101-L105 PolarHBondContact O-N 3.34Å
102A94.7Very high92.9Very high0 Ų055.8 Ų55.80%032%0.317CS..Hα-helixtrans-63.9-34.1172.400000112.8V98 S100 L105 Q106 M107 V110 I111V98-A102 WeakPolarHBondContact O-CB 3.32Å; V98-A102 PolarHBondContact O-N 3.33Å; S100-A102 VanDerWaalsContact C-N 3.35Å; S100-A102 PolarHBondContact O-N 2.97Å; A102-L105 CarbonylContact O-C 3.6Å; A102-Q106 PolarHBondContact O-N 3.3Å; A102-M107 HydrophobicContact CB-CB 4.32Å; A102-M107 PolarHBondContact O-N 3.46Å; A102-V110 HydrophobicContact CB-CB 3.82Å; A102-V110 HydrophobicContact CB-CG1 3.5Å; A102-V110 VanDerWaalsContact CB-CG1 3.5Å; A102-I111 HydrophobicContact CB-CG1 3.83Å
103S95.1Very high93Very high77 Ų7755.7 Ų55.754%0.53830%0.303SS..Hα-helixtrans-68.3-41.1173.4-165.40000112.2M99 S100 A101 Q106M99-S103 WeakPolarHBondContact O-CB 2.93Å; M99-S103 PolarHBondContact O-N 3.08Å; S100-S103 WeakPolarHBondContact O-CA 3.42Å; S100-S103 WeakPolarHBondContact O-CB 3.38Å; S100-S103 PolarHBondContact O-N 3.15Å; A101-S103 VanDerWaalsContact C-N 3.31Å; A101-S103 PolarHBondContact O-N 3.22Å; S103-Q106 PolarHBondContact O-N 3.5Å
104F94.3Very high93.2Very high87 Ų8747.2 Ų47.238%0.38226%0.264SS..Hα-helixtrans-62.6-46.5173.5-179.4-85.7000111.3Y48 F68 A70 F71 S100 A101 Q106Y48-F104 HydrophobicContact CE1-CD1 4.41Å; Y48-F104 AromaticContact CE1-CE1 3.9Å; Y48-F104 HydrophobicContact CE1-CE1 3.9Å; Y48-F104 AromaticContact CZ-CE1 3.8Å; Y48-F104 WeakPolarHBondContact OH-CE1 3.45Å; Y48-F104 WeakPolarHBondContact OH-CZ 2.97Å; F68-F104 AromaticContact CD1-CE1 3.81Å; F68-F104 HydrophobicContact CD1-CE1 3.81Å; F68-F104 HydrophobicContact CD1-CZ 4.34Å; F68-F104 AromaticContact CE1-CE1 3.89Å; F68-F104 HydrophobicContact CE1-CE1 3.89Å; A70-F104 HydrophobicContact CB-CD2 4.11Å; A70-F104 HydrophobicContact CB-CE2 4.09Å; A70-F104 HydrophobicContact CB-CG 4.44Å; A70-F104 HydrophobicContact CB-CZ 4.4Å; F71-F104 AromaticContact CE1-CD1 3.85Å; F71-F104 HydrophobicContact CE1-CD1 3.85Å; F71-F104 HydrophobicContact CE1-CE1 4.37Å; F71-F104 HydrophobicContact CE1-CG 4.41Å; S100-F104 PolarHBondContact O-N 2.74Å; A101-F104 PolarHBondContact O-N 3.12Å; F104-Q106 PolarHBondContact O-N 2.8Å
105L93.6Very high93.1Very high0 Ų051.7 Ų51.70%028%0.281CS..THydrogen-bonded Turntrans-79.16.6178-62.7173.8000113.8S46 Y48 F49 F68 F71 F76 I79 A101 A102 M107S46-L105 WeakPolarHBondContact CB-O 3.49Å; S46-L105 PolarHBondContact OG-O 3.47Å; Y48-L105 HydrophobicContact CD1-CD2 3.82Å; Y48-L105 HydrophobicContact CE1-CD2 3.95Å; F49-L105 HydrophobicContact CE1-CD2 3.74Å; F49-L105 HydrophobicContact CZ-CD1 3.88Å; F49-L105 HydrophobicContact CZ-CD2 3.77Å; F49-L105 HydrophobicContact CZ-CG 4.34Å; F68-L105 HydrophobicContact CE1-CD2 4.48Å; F68-L105 HydrophobicContact CE2-CD2 4.35Å; F68-L105 HydrophobicContact CZ-CD2 4.07Å; F71-L105 HydrophobicContact CE1-CD1 4.34Å; F71-L105 HydrophobicContact CE1-CG 4.25Å; F71-L105 HydrophobicContact CZ-CD1 4.13Å; F71-L105 HydrophobicContact CZ-CD2 4.4Å; F71-L105 HydrophobicContact CZ-CG 4.36Å; F76-L105 HydrophobicContact CD2-CD1 4.4Å; F76-L105 HydrophobicContact CE2-CD1 4.25Å; I79-L105 HydrophobicContact CD1-CD1 4.24Å; I79-L105 HydrophobicContact CG2-CD1 4.11Å; A101-L105 WeakPolarHBondContact O-CB 3.42Å; A101-L105 WeakPolarHBondContact O-CG 3.38Å; A101-L105 PolarHBondContact O-N 3.34Å; A102-L105 CarbonylContact O-C 3.6Å; L105-M107 HydrophobicContact CB-CG 4.11Å; L105-M107 HydrophobicContact CB-SD 4.33Å; L105-M107 PolarHBondContact O-N 3.11Å
106Q94.3Very high92.9Very high111 Ų11155.7 Ų55.752%0.51931%0.306SS..THydrogen-bonded Turntrans56.927.9176.6-52.7-177.57.800115.3A102 S103 F104 T108A102-Q106 PolarHBondContact O-N 3.3Å; S103-Q106 PolarHBondContact O-N 3.5Å; F104-Q106 PolarHBondContact O-N 2.8Å; Q106-T108 PolarHBondContact O-N 3.24Å
107M93.3Very high92.9Very high8 Ų853.3 Ų53.34%0.03929%0.292CS..  trans-86.982.7-176.5-63.4-173.973.100111.5I79 F82 V83 A102 L105 D109 V110 I111I79-M107 HydrophobicContact CG2-CE 4.44Å; I79-M107 HydrophobicContact CG2-SD 3.67Å; F82-M107 HydrophobicContact CD1-CE 4.09Å; F82-M107 HydrophobicContact CE1-CE 4.05Å; V83-M107 HydrophobicContact CG2-CE 3.62Å; A102-M107 HydrophobicContact CB-CB 4.32Å; A102-M107 PolarHBondContact O-N 3.46Å; L105-M107 HydrophobicContact CB-CG 4.11Å; L105-M107 HydrophobicContact CB-SD 4.33Å; L105-M107 PolarHBondContact O-N 3.11Å; M107-D109 PolarHBondContact O-N 3.05Å; M107-D109 VanDerWaalsContact O-N 3.14Å; M107-V110 HydrophobicContact CB-CB 4.11Å; M107-V110 HydrophobicContact CB-CG2 3.99Å; M107-V110 HydrophobicContact CE-CG2 3.84Å; M107-V110 PolarHBondContact O-N 3.35Å; M107-V110 HydrophobicContact SD-CG2 4.44Å; M107-I111 WeakPolarHBondContact O-CG1 3.4Å; M107-I111 PolarHBondContact O-N 3.31Å; M107-I111 VanDerWaalsContact O-N 3.13Å
108T90.6Very high92.7Very high98 Ų9851.8 Ų51.860%0.60129%0.286SS*.Hα-helixtrans-51.5-38.4-175.550.10000114.3Q106 I111 S112Q106-T108 PolarHBondContact O-N 3.24Å; T108-I111 PolarHBondContact O-N 3.11Å; T108-S112 WeakPolarHBondContact O-CB 3.3Å; T108-S112 PolarHBondContact O-N 3.27Å
109D88.1Confident92.5Very high113 Ų11358 Ų5860%0.60431%0.313SS*.Hα-helixtrans-76.9-39-171.6-58-10.4000110.8M107 I111 S112 V113M107-D109 PolarHBondContact O-N 3.05Å; M107-D109 VanDerWaalsContact O-N 3.14Å; D109-I111 VanDerWaalsContact C-N 3.34Å; D109-I111 PolarHBondContact O-N 2.94Å; D109-S112 WeakPolarHBondContact O-CB 3.38Å; D109-S112 PolarHBondContact O-N 3.29Å; D109-S112 VanDerWaalsContact O-N 3.15Å; D109-V113 WeakPolarHBondContact O-CG2 3.46Å; D109-V113 PolarHBondContact O-N 3.24Å
110V91.3Very high92.2Very high1 Ų158.2 Ų58.21%0.00632%0.319CS..Hα-helixtrans-60.5-45.3170.7-179.90000110.1F82 L88 V98 A102 M107 S112 V113 C114F82-V110 HydrophobicContact CD1-CG2 3.53Å; F82-V110 HydrophobicContact CE1-CG2 3.31Å; F82-V110 HydrophobicContact CG-CG2 4.35Å; F82-V110 HydrophobicContact CZ-CG2 3.96Å; L88-V110 HydrophobicContact CD1-CG1 4.07Å; L88-V110 HydrophobicContact CD2-CG1 3.83Å; V98-V110 HydrophobicContact CG1-CG1 4.21Å; A102-V110 HydrophobicContact CB-CB 3.82Å; A102-V110 HydrophobicContact CB-CG1 3.5Å; A102-V110 VanDerWaalsContact CB-CG1 3.5Å; M107-V110 HydrophobicContact CB-CB 4.11Å; M107-V110 HydrophobicContact CB-CG2 3.99Å; M107-V110 HydrophobicContact CE-CG2 3.84Å; M107-V110 PolarHBondContact O-N 3.35Å; M107-V110 HydrophobicContact SD-CG2 4.44Å; V110-S112 VanDerWaalsContact C-N 3.27Å; V110-S112 PolarHBondContact O-N 2.86Å; V110-V113 PolarHBondContact O-N 3.41Å; V110-C114 PolarHBondContact O-N 3.12Å; V110-C114 PolarHBondContact O-SG 2.84Å
111I92.3Very high91.6Very high24 Ų2457.2 Ų57.212%0.12331%0.312CS..Hα-helixtrans-60.8-37.7175.8-60.5163.2000111.1M99 A102 M107 T108 D109 K115M99-I111 HydrophobicContact CG-CG2 4.49Å; A102-I111 HydrophobicContact CB-CG1 3.83Å; M107-I111 WeakPolarHBondContact O-CG1 3.4Å; M107-I111 PolarHBondContact O-N 3.31Å; M107-I111 VanDerWaalsContact O-N 3.13Å; T108-I111 PolarHBondContact O-N 3.11Å; D109-I111 VanDerWaalsContact C-N 3.34Å; D109-I111 PolarHBondContact O-N 2.94Å; I111-K115 HydrophobicContact CG2-CD 4.01Å; I111-K115 VanDerWaalsContact CG2-CE 3.49Å; I111-K115 WeakPolarHBondContact O-CB 3.49Å; I111-K115 VanDerWaalsContact O-CG 3.27Å; I111-K115 WeakPolarHBondContact O-CG 3.46Å; I111-K115 PolarHBondContact O-N 3.01Å
112S90.5Very high90.9Very high71 Ų7162 Ų6250%0.49734%0.337SS..Hα-helixtrans-66.6-42.6176.9-164.20000112.3T108 D109 V110 T116T108-S112 WeakPolarHBondContact O-CB 3.3Å; T108-S112 PolarHBondContact O-N 3.27Å; D109-S112 WeakPolarHBondContact O-CB 3.38Å; D109-S112 PolarHBondContact O-N 3.29Å; D109-S112 VanDerWaalsContact O-N 3.15Å; V110-S112 VanDerWaalsContact C-N 3.27Å; V110-S112 PolarHBondContact O-N 2.86Å; S112-T116 WeakPolarHBondContact O-CB 3.47Å; S112-T116 PolarHBondContact O-N 3.22Å; S112-T116 PolarHBondContact O-OG1 2.91Å
113V90.6Very high90.1Very high65 Ų6564.6 Ų64.639%0.39435%0.35SS..Hα-helixtrans-64.4-46.8173.2177.30000110.8L88 L90 D109 V110 K115 T116 F117L88-V113 HydrophobicContact CD2-CB 4.07Å; L88-V113 HydrophobicContact CD2-CG1 3.79Å; L90-V113 HydrophobicContact CD1-CG1 4.05Å; D109-V113 WeakPolarHBondContact O-CG2 3.46Å; D109-V113 PolarHBondContact O-N 3.24Å; V110-V113 PolarHBondContact O-N 3.41Å; V113-K115 PolarHBondContact O-N 3.36Å; V113-T116 WeakPolarHBondContact O-CB 3.36Å; V113-T116 PolarHBondContact O-N 3.35Å; V113-T116 VanDerWaalsContact O-N 3.12Å; V113-F117 WeakPolarHBondContact O-CB 3.47Å; V113-F117 PolarHBondContact O-N 2.74Å
114C92.7Very high89.2Confident0 Ų065.6 Ų65.60%035%0.349CS..Hα-helixtrans-59.3-44.2177.1-66.80000112.6L90 V95 M99 V110 T116 F117 I118L90-C114 HydrophobicContact CD1-CB 4.45Å; V95-C114 HydrophobicContact CG2-CB 3.85Å; M99-C114 HydrophobicContact CB-CB 3.79Å; M99-C114 HydrophobicContact CG-CB 3.99Å; M99-C114 HydrophobicContact SD-CB 4.06Å; V110-C114 PolarHBondContact O-N 3.12Å; V110-C114 PolarHBondContact O-SG 2.84Å; C114-T116 VanDerWaalsContact C-N 3.32Å; C114-T116 PolarHBondContact O-N 3.25Å; C114-F117 PolarHBondContact O-N 3.02Å; C114-I118 WeakPolarHBondContact O-CD1 2.96Å; C114-I118 VanDerWaalsContact O-CG1 3.27Å; C114-I118 WeakPolarHBondContact O-CG1 3.49Å; C114-I118 PolarHBondContact O-N 3.27Å
115K91.1Very high88.2Confident126 Ų12664.9 Ų64.955%0.54836%0.355SS..Hα-helixtrans-61.7-39.3174.7-75.5168.9-179.3170.80112.3M99 I111 V113 K119M99-K115 HydrophobicContact SD-CG 4.14Å; I111-K115 HydrophobicContact CG2-CD 4.01Å; I111-K115 VanDerWaalsContact CG2-CE 3.49Å; I111-K115 WeakPolarHBondContact O-CB 3.49Å; I111-K115 VanDerWaalsContact O-CG 3.27Å; I111-K115 WeakPolarHBondContact O-CG 3.46Å; I111-K115 PolarHBondContact O-N 3.01Å; V113-K115 PolarHBondContact O-N 3.36Å; K115-K119 WeakPolarHBondContact O-CB 3.46Å; K115-K119 PolarHBondContact O-N 3.28Å
116T89.7Confident87.3Confident91 Ų9170.6 Ų70.656%0.55838%0.381SS*.Hα-helixtrans-66.4-43.5176.6-56.70000111.2S112 V113 C114 K119 S120S112-T116 WeakPolarHBondContact O-CB 3.47Å; S112-T116 PolarHBondContact O-N 3.22Å; S112-T116 PolarHBondContact O-OG1 2.91Å; V113-T116 WeakPolarHBondContact O-CB 3.36Å; V113-T116 PolarHBondContact O-N 3.35Å; V113-T116 VanDerWaalsContact O-N 3.12Å; C114-T116 VanDerWaalsContact C-N 3.32Å; C114-T116 PolarHBondContact O-N 3.25Å; T116-K119 PolarHBondContact O-N 2.99Å; T116-S120 PolarHBondContact O-N 3.09Å; T116-S120 PolarHBondContact O-OG 3.42Å
117F91.9Very high86.3Confident55 Ų5571.9 Ų71.924%0.24139%0.385CS..Hα-helixtrans-60.1-55.8176.5-178.8-86.6000111.3L90 V95 V113 C114 K119 S120 S121L90-F117 HydrophobicContact CB-CD1 4.33Å; L90-F117 HydrophobicContact CB-CD2 3.75Å; L90-F117 HydrophobicContact CB-CE1 4.35Å; L90-F117 HydrophobicContact CB-CE2 3.78Å; L90-F117 HydrophobicContact CB-CG 4.03Å; L90-F117 HydrophobicContact CB-CZ 4.09Å; L90-F117 HydrophobicContact CD1-CB 3.65Å; L90-F117 HydrophobicContact CD1-CD1 4.44Å; L90-F117 HydrophobicContact CD1-CD2 4.1Å; L90-F117 HydrophobicContact CD1-CG 3.83Å; V95-F117 HydrophobicContact CB-CD1 4.05Å; V95-F117 HydrophobicContact CB-CE1 4.19Å; V95-F117 HydrophobicContact CG1-CD1 4.13Å; V95-F117 HydrophobicContact CG1-CE1 4.12Å; V95-F117 HydrophobicContact CG2-CD1 3.81Å; V95-F117 HydrophobicContact CG2-CE1 4.45Å; V95-F117 HydrophobicContact CG2-CG 4.46Å; V113-F117 WeakPolarHBondContact O-CB 3.47Å; V113-F117 PolarHBondContact O-N 2.74Å; C114-F117 PolarHBondContact O-N 3.02Å; F117-K119 VanDerWaalsContact C-N 3.27Å; F117-K119 PolarHBondContact O-N 3.15Å; F117-S120 WeakPolarHBondContact CA-OG 3.33Å; F117-S120 PolarHBondContact O-N 2.88Å; F117-S120 PolarHBondContact O-OG 3.15Å; F117-S121 PolarHBondContact O-N 2.91Å; F117-S121 PolarHBondContact O-OG 3.37Å
118I92.2Very high85.5Confident45 Ų4576.7 Ų76.723%0.23141%0.408CS..Hα-helixtrans-53.8-46.7178.6-67.4162.9000110.3V95 I96 M99 C114 S121 L122V95-I118 HydrophobicContact CG1-CD1 4.46Å; V95-I118 HydrophobicContact CG1-CG1 3.96Å; V95-I118 HydrophobicContact CG2-CD1 4.06Å; V95-I118 HydrophobicContact CG2-CG1 3.84Å; I96-I118 HydrophobicContact CD1-CD1 3.87Å; M99-I118 HydrophobicContact CE-CD1 3.6Å; M99-I118 HydrophobicContact SD-CD1 3.94Å; C114-I118 WeakPolarHBondContact O-CD1 2.96Å; C114-I118 VanDerWaalsContact O-CG1 3.27Å; C114-I118 WeakPolarHBondContact O-CG1 3.49Å; C114-I118 PolarHBondContact O-N 3.27Å; I118-S121 PolarHBondContact O-N 3.1Å; I118-L122 HydrophobicContact CG2-CD1 4.15Å; I118-L122 WeakPolarHBondContact O-CG 3.24Å; I118-L122 PolarHBondContact O-N 2.68Å; I118-L122 VanDerWaalsContact O-N 3.12Å
119K89.4Confident84.5Confident129 Ų12978.1 Ų78.156%0.56141%0.405SS*.Hα-helixtrans-60.6-47.5175.9178.2161.8-177.5158.40111.8K115 T116 F117 S121 L122 D123K115-K119 WeakPolarHBondContact O-CB 3.46Å; K115-K119 PolarHBondContact O-N 3.28Å; T116-K119 PolarHBondContact O-N 2.99Å; F117-K119 VanDerWaalsContact C-N 3.27Å; F117-K119 PolarHBondContact O-N 3.15Å; K119-S121 VanDerWaalsContact C-N 3.29Å; K119-S121 PolarHBondContact O-N 3.32Å; K119-L122 PolarHBondContact O-N 2.94Å; K119-L122 VanDerWaalsContact O-N 3.14Å; K119-D123 WeakPolarHBondContact CE-OD1 3.48Å; K119-D123 WeakPolarHBondContact CG-OD1 3.45Å; K119-D123 WeakPolarHBondContact O-CB 3.41Å; K119-D123 PolarHBondContact O-N 3.33Å
120S88.4Confident83.9Confident49 Ų4977.1 Ų77.134%0.34340%0.4SS..Hα-helixtrans-62.9-34-179.761.80000113.3T116 F117 I124T116-S120 PolarHBondContact O-N 3.09Å; T116-S120 PolarHBondContact O-OG 3.42Å; F117-S120 WeakPolarHBondContact CA-OG 3.33Å; F117-S120 PolarHBondContact O-N 2.88Å; F117-S120 PolarHBondContact O-OG 3.15Å; S120-I124 WeakPolarHBondContact O-CB 3.5Å; S120-I124 WeakPolarHBondContact O-CD1 3.35Å; S120-I124 WeakPolarHBondContact O-CG1 3.46Å; S120-I124 PolarHBondContact O-N 3.31Å
121S84.7Confident83.2Confident50 Ų5083.6 Ų83.635%0.3543%0.425SS..Hα-helixtrans-68-35.5174.2-56.20000112.5F117 I118 K119 S125F117-S121 PolarHBondContact O-N 2.91Å; F117-S121 PolarHBondContact O-OG 3.37Å; I118-S121 PolarHBondContact O-N 3.1Å; K119-S121 VanDerWaalsContact C-N 3.29Å; K119-S121 PolarHBondContact O-N 3.32Å; S121-S125 PolarHBondContact O-N 3.4Å; S121-S125 VanDerWaalsContact O-N 3.09Å
122L80.9Confident82.3Confident103 Ų10390.6 Ų90.654%0.53945%0.451SS..Hα-helixtrans-71.9-46.3173.3-65.5171000111.6I118 K119 I124 S125 E126I118-L122 HydrophobicContact CG2-CD1 4.15Å; I118-L122 WeakPolarHBondContact O-CG 3.24Å; I118-L122 PolarHBondContact O-N 2.68Å; I118-L122 VanDerWaalsContact O-N 3.12Å; K119-L122 PolarHBondContact O-N 2.94Å; K119-L122 VanDerWaalsContact O-N 3.14Å; L122-I124 PolarHBondContact O-N 3.06Å; L122-I124 VanDerWaalsContact O-N 3.15Å; L122-S125 WeakPolarHBondContact O-CB 3.44Å; L122-S125 PolarHBondContact O-N 3.08Å; L122-E126 PolarHBondContact O-N 3.03Å
123D77.8Confident81.2Confident53 Ų5392.6 Ų92.628%0.28345%0.45SS..Hα-helixtrans-56.5-28173.4-7212.4000111.8K119 K127K119-D123 WeakPolarHBondContact CE-OD1 3.48Å; K119-D123 WeakPolarHBondContact CG-OD1 3.45Å; K119-D123 WeakPolarHBondContact O-CB 3.41Å; K119-D123 PolarHBondContact O-N 3.33Å; D123-K127 WeakPolarHBondContact O-CD 3.48Å; D123-K127 VanDerWaalsContact O-CG 3.3Å; D123-K127 WeakPolarHBondContact O-CG 3.18Å; D123-K127 PolarHBondContact O-N 2.83Å
124I75.9Confident80.3Confident98 Ų9892.8 Ų92.850%0.50346%0.455SS..Hα-helixtrans-76.5-46.8173-72.9162.6000111.1S120 L122 E126 K127 E128S120-I124 WeakPolarHBondContact O-CB 3.5Å; S120-I124 WeakPolarHBondContact O-CD1 3.35Å; S120-I124 WeakPolarHBondContact O-CG1 3.46Å; S120-I124 PolarHBondContact O-N 3.31Å; L122-I124 PolarHBondContact O-N 3.06Å; L122-I124 VanDerWaalsContact O-N 3.15Å; I124-E126 VanDerWaalsContact C-N 3.32Å; I124-E126 PolarHBondContact O-N 3.32Å; I124-K127 CarbonylContact O-C 3.58Å; I124-K127 PolarHBondContact O-N 3.1Å; I124-K127 VanDerWaalsContact O-N 3.15Å; I124-E128 PolarHBondContact O-N 3.46Å
125S73Confident78.8Confident73 Ų7398 Ų9851%0.5148%0.482SS..Hα-helixtrans-59.2-41.3178.3-172.80000112.2S121 L122 E128 K129S121-S125 PolarHBondContact O-N 3.4Å; S121-S125 VanDerWaalsContact O-N 3.09Å; L122-S125 WeakPolarHBondContact O-CB 3.44Å; L122-S125 PolarHBondContact O-N 3.08Å; S125-E128 PolarHBondContact O-N 2.98Å; S125-K129 WeakPolarHBondContact O-CB 3.27Å; S125-K129 PolarHBondContact O-N 3.03Å
126E73.6Confident77.3Confident120 Ų12095.4 Ų95.456%0.56148%0.48SS*.Hα-helixtrans-61-46.7173.3-69.8-179163.700111.4L122 I124 E128 K129 D130L122-E126 PolarHBondContact O-N 3.03Å; I124-E126 VanDerWaalsContact C-N 3.32Å; I124-E126 PolarHBondContact O-N 3.32Å; E126-E128 VanDerWaalsContact C-N 3.29Å; E126-E128 PolarHBondContact O-N 3.24Å; E126-K129 WeakPolarHBondContact O-CB 3.4Å; E126-K129 PolarHBondContact O-N 3.38Å; E126-D130 WeakPolarHBondContact O-CB 3.49Å; E126-D130 PolarHBondContact O-N 3.19Å
127K74.4Confident75.7Confident137 Ų13796.6 Ų96.660%0.59648%0.483SS*.Hα-helixtrans-68.4-22.2176.3-71.9175.5178.7-174.30114.9D123 I124 R131D123-K127 WeakPolarHBondContact O-CD 3.48Å; D123-K127 VanDerWaalsContact O-CG 3.3Å; D123-K127 WeakPolarHBondContact O-CG 3.18Å; D123-K127 PolarHBondContact O-N 2.83Å; I124-K127 CarbonylContact O-C 3.58Å; I124-K127 PolarHBondContact O-N 3.1Å; I124-K127 VanDerWaalsContact O-N 3.15Å; K127-R131 WeakPolarHBondContact O-CB 3.34Å; K127-R131 VanDerWaalsContact O-CG 3.28Å; K127-R131 WeakPolarHBondContact O-CG 3.05Å; K127-R131 PolarHBondContact O-N 3.22Å; K127-R131 PolarHBondContact O-NE 3.14Å
128E75.5Confident73.9Confident109 Ų109101.1 Ų101.151%0.50950%0.502SS..Hα-helixtrans-78-44.6173.4-163.9118.6-104.400110.3I124 S125 E126 R131 Y132I124-E128 PolarHBondContact O-N 3.46Å; S125-E128 PolarHBondContact O-N 2.98Å; E126-E128 VanDerWaalsContact C-N 3.29Å; E126-E128 PolarHBondContact O-N 3.24Å; E128-R131 PolarHBondContact O-N 2.92Å; E128-R131 IonicContact OE1-CZ 3.73Å; E128-R131 IonicContact OE1-NH1 2.68Å; E128-R131 IonicContact OE1-NH2 3.78Å; E128-R131 PolarHBondContact OE1-NH2 3.39Å; E128-Y132 WeakPolarHBondContact O-CB 3.44Å; E128-Y132 PolarHBondContact O-N 2.93Å
129K71.3Confident71.9Confident128 Ų128105.5 Ų105.556%0.55753%0.526SS*.Hα-helixtrans-56.1-51.3170.5-177.6-170.4174.8-166.70111.4S125 E126 R131 Y132 F133S125-K129 WeakPolarHBondContact O-CB 3.27Å; S125-K129 PolarHBondContact O-N 3.03Å; E126-K129 WeakPolarHBondContact O-CB 3.4Å; E126-K129 PolarHBondContact O-N 3.38Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 3.15Å; K129-Y132 WeakPolarHBondContact O-CB 3.3Å; K129-Y132 PolarHBondContact O-N 2.79Å; K129-Y132 VanDerWaalsContact O-N 3.1Å; K129-F133 HydrophobicContact CD-CE2 4.33Å; K129-F133 HydrophobicContact CG-CD2 3.87Å; K129-F133 HydrophobicContact CG-CE2 3.62Å; K129-F133 VanDerWaalsContact O-CD2 3.23Å; K129-F133 WeakPolarHBondContact O-CD2 3.49Å; K129-F133 PolarHBondContact O-N 3.45Å
130D75.2Confident70.1Confident93 Ų93103.2 Ų103.250%0.49753%0.532SS..Hα-helixtrans-60.5-39.7179.8-66.4-15.4000111.8E126 S134E126-D130 WeakPolarHBondContact O-CB 3.49Å; E126-D130 PolarHBondContact O-N 3.19Å; D130-S134 VanDerWaalsContact O-CB 3.27Å; D130-S134 WeakPolarHBondContact O-CB 3.42Å; D130-S134 PolarHBondContact O-N 3.27Å; D130-S134 PolarHBondContact O-OG 3.5Å
131R76.4Confident68.2Low137 Ų137107.9 Ų107.952%0.51755%0.553SS.*Hα-helixtrans-66.6-38.3174.2-79.8-179.1-65.6143.57.5112.4K127 E128 K129 S134 L135K127-R131 WeakPolarHBondContact O-CB 3.34Å; K127-R131 VanDerWaalsContact O-CG 3.28Å; K127-R131 WeakPolarHBondContact O-CG 3.05Å; K127-R131 PolarHBondContact O-N 3.22Å; K127-R131 PolarHBondContact O-NE 3.14Å; E128-R131 PolarHBondContact O-N 2.92Å; E128-R131 IonicContact OE1-CZ 3.73Å; E128-R131 IonicContact OE1-NH1 2.68Å; E128-R131 IonicContact OE1-NH2 3.78Å; E128-R131 PolarHBondContact OE1-NH2 3.39Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 3.15Å; R131-S134 PolarHBondContact O-N 3.49Å; R131-L135 WeakPolarHBondContact O-CG 3.47Å; R131-L135 PolarHBondContact O-N 2.74Å; R131-L135 VanDerWaalsContact O-N 3.1Å
132Y73.1Confident66.6Low170 Ų170109.6 Ų109.667%0.66757%0.565SS**Hα-helixtrans-63.4-46.9177.2-175.1-92.7000111.6E128 K129 L135 S136E128-Y132 WeakPolarHBondContact O-CB 3.44Å; E128-Y132 PolarHBondContact O-N 2.93Å; K129-Y132 WeakPolarHBondContact O-CB 3.3Å; K129-Y132 PolarHBondContact O-N 2.79Å; K129-Y132 VanDerWaalsContact O-N 3.1Å; Y132-L135 PolarHBondContact O-N 3.06Å; Y132-S136 PolarHBondContact O-N 3.01Å
133F68.2Low64.6Low113 Ų113112 Ų11250%0.49658%0.578SS.*Hα-helixtrans-63-45173.3-73.9-70.6000111.9K129 L135 S136 D137K129-F133 HydrophobicContact CD-CE2 4.33Å; K129-F133 HydrophobicContact CG-CD2 3.87Å; K129-F133 HydrophobicContact CG-CE2 3.62Å; K129-F133 VanDerWaalsContact O-CD2 3.23Å; K129-F133 WeakPolarHBondContact O-CD2 3.49Å; K129-F133 PolarHBondContact O-N 3.45Å; F133-L135 PolarHBondContact O-N 3.47Å; F133-S136 PolarHBondContact O-N 2.89Å; F133-D137 PolarHBondContact O-N 2.83Å; F133-D137 VanDerWaalsContact O-N 3.08Å
134S71Confident63.1Low70 Ų70113.6 Ų113.649%0.4961%0.607SS.*Hα-helixtrans-62.5-14.8178-57.80000115.1D130 R131D130-S134 VanDerWaalsContact O-CB 3.27Å; D130-S134 WeakPolarHBondContact O-CB 3.42Å; D130-S134 PolarHBondContact O-N 3.27Å; D130-S134 PolarHBondContact O-OG 3.5Å; R131-S134 PolarHBondContact O-N 3.49Å
135L61.6Low61.3Low110 Ų110115.3 Ų115.358%0.57662%0.622SS**Hα-helixtrans-88.2-45.1170.9-72.2167.9000110.7R131 Y132 F133 D137 K138 D139R131-L135 WeakPolarHBondContact O-CG 3.47Å; R131-L135 PolarHBondContact O-N 2.74Å; R131-L135 VanDerWaalsContact O-N 3.1Å; Y132-L135 PolarHBondContact O-N 3.06Å; F133-L135 PolarHBondContact O-N 3.47Å; L135-D137 PolarHBondContact O-N 2.96Å; L135-K138 WeakPolarHBondContact O-CB 3.47Å; L135-K138 PolarHBondContact O-N 3.11Å; L135-D139 PolarHBondContact O-N 2.84Å
136S59.2Low59.8Low71 Ų71121 Ų12150%0.49764%0.64SS.*Hα-helixtrans-57.3-35.2177.1-166.40000113.2Y132 F133 K138Y132-S136 PolarHBondContact O-N 3.01Å; F133-S136 PolarHBondContact O-N 2.89Å; S136-K138 VanDerWaalsContact C-N 3.3Å; S136-K138 PolarHBondContact O-N 3.09Å
137D56Low57.8Low115 Ų115127 Ų12762%0.61566%0.658SS**Hα-helixtrans-72.5-19.9177.5-66.1-33.9000113.3F133 L135F133-D137 PolarHBondContact O-N 2.83Å; F133-D137 VanDerWaalsContact O-N 3.08Å; L135-D137 PolarHBondContact O-N 2.96Å
138K54.5Low55.8Low151 Ų151125.4 Ų125.466%0.65766%0.664SS**Hα-helixtrans-82.3-39.1178.1-76.2-174.7173.3-174.20112.7L135 S136 A140 N141L135-K138 WeakPolarHBondContact O-CB 3.47Å; L135-K138 PolarHBondContact O-N 3.11Å; S136-K138 VanDerWaalsContact C-N 3.3Å; S136-K138 PolarHBondContact O-N 3.09Å; K138-A140 PolarHBondContact O-N 2.89Å; K138-N141 PolarHBondContact O-N 3.39Å; K138-N141 VanDerWaalsContact O-N 3.16Å
139D49.8Very low54Low136 Ų136125.5 Ų125.573%0.72768%0.676SS**Hα-helixtrans-67.5-21.6177.7-63.9-27.7000111.8L135L135-D139 PolarHBondContact O-N 2.84Å
140A52Low52Low82 Ų82127.8 Ų127.868%0.67869%0.687SS**THydrogen-bonded Turntrans-74-19.6173.800000114.6K138K138-A140 PolarHBondContact O-N 2.89Å
141N48.7Very low49.9Very low146 Ų146133.5 Ų133.578%0.78170%0.703SS**THydrogen-bonded Turntrans-107.721.2-168-156.169.7000114.1K138K138-N141 PolarHBondContact O-N 3.39Å; K138-N141 VanDerWaalsContact O-N 3.16Å
142S50.9Low47.8Very low86 Ų86132.7 Ų132.760%0.60172%0.718SS**SBendtrans-138.643.7178.665.50000115.4
143N38.6Very low45.7Very low155 Ų155128.5 Ų128.583%0.82973%0.727SS**  trans-159.2106.1151.3-96.7-43.2000111.9V145N143-V145 PolarHBondContact O-N 3.37Å
144G45.9Very low43.8Very low86 Ų86126.3 Ų126.389%0.88774%0.736SS**  trans-81.290.4175.700000112.3
145V38.2Very low41.7Very low134 Ų134134.2 Ų134.281%0.81276%0.756SS**  trans-135.1130162.5-179.10000108.5N143N143-V145 PolarHBondContact O-N 3.37Å
146E42.7Very low40.1Very low192 Ų192135.8 Ų135.890%0.89776%0.76SS**  trans-69.4140.4-174.5-56.4178.8127.500113.2
147R30.4Very low38.7Very low246 Ų246141.1 Ų141.193%0.92878%0.777SS**  trans-152.7136.5137.7-139.2168.9-175130.62.5111.7
148S32Very low37.3Very low104 Ų104139.4 Ų139.473%0.72779%0.787SS**  trans-76.3150.5-179.346.20000112.7
149S38.3Very low36.1Very low110 Ų110137.9 Ų137.977%0.76980%0.795SS**  trans-77.3142.3175.3177.70000111.7
150F30.4Very low35.1Very low176 Ų176137.2 Ų137.277%0.77280%0.801SS**  trans-141.7106.8161.6-98.6-84000112.7
151Y30.4Very low34Very low213 Ų213138.7 Ų138.784%0.83581%0.806SS**  trans71.6145.7147.1-92.8-103.4000123.3
152S32.2Very low33.5Very low120 Ų120138 Ų13884%0.83981%0.81SS**  trans-79150.7172.5-50.50000112.3
153G29.8Very low32.4Very low82 Ų82145.6 Ų145.685%0.84583%0.825SS**  trans-178.1146.5169.300000110.1
154G27.9Very low31.9Very low68 Ų68143.3 Ų143.370%0.70182%0.821SS**  trans-127.5-165.9-178.300000113.2
155W26.1Very low31.1Very low236 Ų236147.1 Ų147.189%0.89482%0.816SS**  trans80.6116.8174.9-60.596.9000118.5
156Q27.4Very low30.6Very low143 Ų143148.2 Ų148.267%0.66882%0.816SS**  trans44.2116.1137.6-75.3-175.9-62.700121.9
157E29.9Very low29.8Very low183 Ų183144.3 Ų144.386%0.85581%0.81SS**  5081.7106.9-161.9163.5-140.200117
158G26.5Very low30.8Very low79 Ų79137.9 Ų137.981%0.81480%0.8SS**  trans-140127167.600000111.4
159S29.3Very low30.5Very low118 Ų118140 Ų14083%0.82580%0.798SS**  trans-89.2134.7-174.259.80000113.8
160S28.6Very low30.3Very low123 Ų123142.9 Ų142.986%0.8680%0.8SS**  trans178.8161.2133.4420000112.7
161S30.6Very low30.1Very low112 Ų112138 Ų13878%0.78380%0.799SS**  trans-118.3154.4175.1-46.40000110.7
162P37.1Very low30.1Very low133 Ų133133.2 Ų133.286%0.86480%0.804SS**  trans-90.1165.1149-14.532.3000112.1
163R29.1Very low29.9Very low244 Ų244130.6 Ų130.692%0.92180%0.796SS**  trans-147.7121.4-166.8174.4-162.5-176.9-143.95.4112.6
164S27.7Very low30Very low107 Ų107134.7 Ų134.775%0.74880%0.796SS**  trans-178.5153.8167.540.60000110.3
165H28Very low30.1Very low166 Ų166138.7 Ų138.777%0.76980%0.8SS**  cis-154.8139.6-14.7-117.3-65.9000110.6
166L27.8Very low30.1Very low158 Ų158132.7 Ų132.783%0.82779%0.794SS**  trans72.9166.1152.8-63.3167.2000121.3
167S26Very low30Very low110 Ų110128.8 Ų128.877%0.76979%0.792SS**  trans-147.6-162.7-162.5-43.50000107.3
168P51.2Low30Very low110 Ų110129.6 Ų129.671%0.71479%0.793SS**  cis-135.5-178.3-5.141.5-23.2000115.1
169E26.1Very low29.8Very low148 Ų148131.2 Ų131.269%0.69279%0.792SS**  -179.8125.8119.6-91.3-8073.600111.4
170Q34.2Very low29.6Very low171 Ų171138 Ų13880%0.79980%0.799SS**  trans20.6137.7154.8-57.3174.560.900122.2
171G26.4Very low29.5Very low74 Ų74139.9 Ų139.976%0.76380%0.8SS**  cis175.7170.9-1.700000115.9
172A31.2Very low29.1Very low113 Ų113143.4 Ų143.493%0.93480%0.801SS**  trans43.9128.2165.500000121.6
173G26.7Very low28.5Very low64 Ų64148.1 Ų148.166%0.6680%0.803SS**  cis171.5166.1-6.600000115.3
174I31.8Very low28.4Very low168 Ų168143.5 Ų143.586%0.86280%0.797SS**  trans33132.6147.711.9178.2000119.2
175I30.1Very low28.1Very low153 Ų153149.4 Ų149.479%0.78580%0.804SS**  cis-147.5152.139.5-64.4178000113.5
176S26.6Very low28.1Very low110 Ų110149.9 Ų149.977%0.76981%0.807SS**  trans-18153.2161.8-1660000120
177G25.7Very low28.7Very low61 Ų61148.4 Ų148.463%0.62981%0.806SS**  cis138.8150.8-5.500000115.3
178K28.7Very low28.5Very low200 Ų200148.3 Ų148.387%0.8781%0.812SS**  trans66.7113.4175.1-56.9177.8-176.6178.20115.3
179S23.7Very low27.3Very low112 Ų112148.5 Ų148.578%0.78382%0.816SS**  72.8112.967.8-172.60000113.8
180W24.8Very low27.5Very low261 Ų261150.8 Ų150.899%0.98983%0.827SS**  trans-130.9151.5173.4-94.815.2000110.8
181N25.9Very low27.1Very low163 Ų163152.6 Ų152.687%0.87283%0.832SS**  trans-95.4167.1-173.7-94.3-35.4000113.8
182K23.3Very low27Very low186 Ų186154 Ų15481%0.80982%0.822SS**  trans-53.7151.1164-64.1172.6176.3173.20111.7
183Y24.4Very low26.6Very low232 Ų232155.4 Ų155.491%0.9182%0.819SS**  -163.6161.2115.4-93.3-60.4000111
184N25.9Very low26.6Very low146 Ų146158.7 Ų158.778%0.78182%0.817SS**  trans-91.9156.2179.7-66-31.4000111.5
185Y22.5Very low26.4Very low231 Ų231158.2 Ų158.291%0.90681%0.812SS**  -176.8155.7117.2-111.4-83.2000111.8
186H26.6Very low27Very low177 Ų177155.5 Ų155.582%0.81980%0.804SS**  trans-100.5-171.2170-66.3-80.7000110.5
187P40.3Very low26.8Very low126 Ų126158.3 Ų158.382%0.81881%0.81SS**  -120.5176.4-76.738.1-23.7000112
188A23.8Very low26.8Very low108 Ų108160.1 Ų160.189%0.89382%0.819SS**  trans-120.2152.1176.400000113.1
189S24.6Very low26.5Very low115 Ų115160.1 Ų160.180%0.80482%0.819SS**  trans-125.1149.3-177178.40000110.7
190Q30.5Very low26.5Very low195 Ų195164 Ų16491%0.91182%0.824SS**  trans-138.9140.4172.6-76-165.8-16.500114.4
191K25.6Very low26.5Very low209 Ų209159.3 Ų159.391%0.90981%0.813SS**  trans-157.7158.5173.3-91.3-174.4177.9-179.90104.7
192N25.2Very low27.5Very low105 Ų105156.2 Ų156.256%0.56180%0.802SS**  cis-176143.6-8.714590.6000106.8Q194N192-Q194 PolarHBondContact OD1-NE2 2.8Å
193T21.8Very low27.4Very low141 Ų141158 Ų15887%0.86580%0.803SS**  trans-159.8167.3158.77.30000112.9
194Q27.7Very low27.3Very low133 Ų133153.8 Ų153.862%0.62179%0.79SS**  trans-149.9179.2-155.9-49.4-174.64.100111.2N192N192-Q194 PolarHBondContact OD1-NE2 2.8Å
195Q27.1Very low27.2Very low159 Ų159153.7 Ų153.774%0.74379%0.785SS**  cis-149-73.513.6-157.7178.788.700119.4
196P43.1Very low27.4Very low96 Ų96147 Ų14762%0.62377%0.771SS**  -125166.8-119.442.2-32.5000120.2
197L22.8Very low27.4Very low169 Ų169145 Ų14589%0.88577%0.765SS**  trans93.6109135.3-127.9141.6000121.6
198A24.2Very low26.8Very low99 Ų99149 Ų14982%0.81877%0.77SS**  trans-169.2161.6137.300000111.3
199K23.6Very low26.9Very low200 Ų200153.1 Ų153.187%0.8777%0.768SS**  trans-135.4141.7176.1-61.1175.4-179.9176.30110.8
200H23.7Very low26.8Very low193 Ų193153.6 Ų153.689%0.89477%0.766SS**  trans-169.1165.9134-124.1-92.8000114.2
201E23.9Very low26.6Very low162 Ų162153.6 Ų153.676%0.75776%0.763SS**  trans-126.1176.4-174.3-111-80.992.500109.5
202P47.6Very low26.6Very low98 Ų98152.2 Ų152.264%0.63676%0.76SS**  -121.8-179.8-115.344.1-30.3000114.8
203R21.1Very low26.6Very low223 Ų223155.8 Ų155.884%0.84278%0.778SS**  trans-163.9143.9161.3-115.3-179.1-178.1-175.70.3115.1
204K22.7Very low26.6Very low144 Ų144159.8 Ų159.863%0.62678%0.777SS**  trans34.6145.2133.1-72.5173.8158.6-99.40119.7
205E23.6Very low26.4Very low144 Ų144161.5 Ų161.567%0.67379%0.789SS**  cis-162.9-162.91.9-120.2156174.500107.3
206S25.8Very low26.2Very low90 Ų90158.7 Ų158.763%0.62979%0.787SS**  cis-161.3148.317.8-1530000114.5
207I26.8Very low25.4Very low135 Ų135162.2 Ų162.269%0.69280%0.795SS**  trans24.2126.2142.5-57.4163.2000120.3
208K28Very low25.6Very low212 Ų212160.5 Ų160.592%0.92279%0.794SS**  -152.8138.7127.1-108.6160.2-171.9173.90111.5
209K25.2Very low25.7Very low193 Ų193160 Ų16084%0.83979%0.785SS**  trans-108.3160.9-177.4-63.8178.6178178.50111.2
210T23.5Very low25.6Very low126 Ų126160 Ų16077%0.77379%0.788SS**  trans154.8132.7152.5-77.30000108
211K25.8Very low25.9Very low195 Ų195156.6 Ų156.685%0.84878%0.781SS**  cis-144.6167.73.9-129.4161.1-163.1173.80109.8
212H25.3Very low25.8Very low180 Ų180155.6 Ų155.683%0.83379%0.786SS**  trans-88.7154175.3-73-102.5000113
213L25.2Very low24.9Very low180 Ų180159.6 Ų159.694%0.94280%0.796SS**  trans-146143.6135.6-106.3163.1000108.3
214R21.3Very low25Very low225 Ų225159.4 Ų159.485%0.84980%0.796SS**  trans-153.2120.5-172.6-176.2-163.4-166.7-157.26.2110.5
215L23.8Very low25.1Very low168 Ų168161.6 Ų161.688%0.8881%0.806SS**  trans-169.2142.4164.6-123.870.6000105.4
216S23.2Very low25.2Very low100 Ų100159.9 Ų159.970%0.69981%0.81SS**  cis-164.6150.1-20.834.20000107.8
217Q26.2Very low25.1Very low170 Ų170160.5 Ų160.579%0.79481%0.814SS**  trans-74.6165.6163.1-72.9177.3-44.100109.8
218P28.1Very low25Very low133 Ų133162.1 Ų162.186%0.86482%0.816SS**  -123.8165.998.437-34.4000113.4
219S25.1Very low25Very low90 Ų90161.9 Ų161.963%0.62981%0.81SS**  trans-130.6138.8176.855.80000109.1
220E22.6Very low25.2Very low200 Ų200157.7 Ų157.794%0.93579%0.793SS**  trans-141.1147.7167.5-124.7168.5-142.100110.5
221V28.3Very low25.4Very low121 Ų121155.4 Ų155.473%0.73379%0.787SS**  trans-143.1125.2-169.1175.30000109.6
222T23.5Very low25.5Very low141 Ų141155.9 Ų155.987%0.86578%0.783SS**  trans-140.9125.8164.252.20000110.9
223H27.4Very low25.6Very low182 Ų182152.9 Ų152.984%0.84378%0.778SS**  trans-79146.2167.2-81.7-92.8000111.1
224Y22.9Very low25.8Very low218 Ų218148.9 Ų148.986%0.85577%0.765SS**  trans-145.1158.6147.5-150-102.3000111.4
225K25Very low25.9Very low190 Ų190145.1 Ų145.183%0.82676%0.762SS**  trans-155.3160.4-173-152.5177.3-174.5-178.90110.8
226S25.3Very low26Very low108 Ų108142 Ų14276%0.75575%0.754SS**  trans72.3148.7-176.2-121.80000113.4
227S24Very low26.2Very low103 Ų103143.1 Ų143.172%0.7276%0.762SS**  cis-158.7-163.56.2-154.60000108.3
228K25.8Very low26.2Very low170 Ų170139.7 Ų139.774%0.73976%0.756SS**  cis-166.8106.910.5-172.8177.4176.1-176.80113.6
229R28.6Very low26.1Very low206 Ų206141.8 Ų141.878%0.77775%0.754SS**  trans64.7171.8149.4-66.3168.4176.3-122.45.5117.6
230E28.9Very low26.1Very low106 Ų106143.9 Ų143.950%0.49576%0.763SS.*  cis-150.9176.8-15.5-118.4166.1-125.200107.7R232E230-R232 IonicContact OE2-CZ 2.74Å; E230-R232 IonicContact OE2-NE 3.74Å; E230-R232 PolarHBondContact OE2-NE 2.95Å; E230-R232 IonicContact OE2-NH2 2.68Å; E230-R232 PolarHBondContact OE2-NH2 3.47Å
231A26.8Very low26.3Very low78 Ų78139.7 Ų139.765%0.64576%0.756SS**  cis-150.7144.729.700000111.8
232R29.2Very low26.1Very low204 Ų204142.9 Ų142.977%0.7776%0.763SS**  65.9144.8100.4-55.6176.9-164.9-152.93.4115.1E230E230-R232 IonicContact OE2-CZ 2.74Å; E230-R232 IonicContact OE2-NE 3.74Å; E230-R232 PolarHBondContact OE2-NE 2.95Å; E230-R232 IonicContact OE2-NH2 2.68Å; E230-R232 PolarHBondContact OE2-NH2 3.47Å
233T25.7Very low26.2Very low118 Ų118140.4 Ų140.472%0.72475%0.751SS**  cis-126155.86.848.30000110.1
234S30Very low26.2Very low95 Ų95140.5 Ų140.566%0.66475%0.752SS**  41.6142.975.768.10000115.7
235D23.4Very low26.6Very low147 Ų147137.8 Ų137.879%0.78675%0.747SS**  cis-146.9-152.724.6-139.2-53.5000116
236S26.2Very low26.6Very low102 Ų102137.7 Ų137.771%0.71375%0.75SS**  trans-129.5179-149.7-40.70000116.3
237S26.6Very low26.8Very low123 Ų123135.8 Ų135.886%0.8674%0.741SS**  trans96.4170.1157.2-150.40000119.5
238S27.1Very low26.9Very low98 Ų98139.8 Ų139.869%0.68575%0.748SS**  trans-145.4144.1-155.658.30000114.8
239H26.7Very low27.1Very low177 Ų177138.5 Ų138.582%0.81975%0.747SS**  trans-152.8137.2156.8-94.2-88.1000107.2
240V24.2Very low26.9Very low135 Ų135135.8 Ų135.882%0.81875%0.749SS**  85.2138.658.6173.30000113.2
241S25.9Very low26.9Very low112 Ų112135.4 Ų135.478%0.78376%0.763SS**  trans-92.1159.1-157.1-31.90000116.3
242Q24.2Very low26.9Very low188 Ų188141.4 Ų141.488%0.87978%0.778SS**  trans-171.7165151.4-98.4166-2.300106.8
243S26.4Very low27.1Very low88 Ų88140 Ų14062%0.61578%0.782SS**  cis178.6-175.1-46.351.10000106.6
244E28.1Very low27.2Very low184 Ų184141.8 Ų141.886%0.8679%0.787SS**  trans71.1156.9173.4-53.3-179.7171.200116.6
245E29.7Very low27.2Very low161 Ų161141.8 Ų141.875%0.75279%0.787SS**  -175.8139.5-64.9166.5174.4149.900108.3
246Q26.7Very low28.7Very low189 Ų189140 Ų14088%0.88378%0.784SS**  trans-155.5129.6146.9-154.667.777.600109.2
247A28.9Very low29.7Very low68 Ų68141.5 Ų141.556%0.56279%0.791SS**  trans-117.9155-171.100000112.9
248Q27Very low30Very low186 Ų186141.4 Ų141.487%0.86979%0.785SS**  trans-153.5115.8150.3-118.2160.2-17.600112.3
249I28.9Very low30.1Very low143 Ų143140.2 Ų140.273%0.73379%0.788SS**  trans-18.7155.9142.131.5172.3000115.9
250D24.9Very low30.2Very low150 Ų150141.3 Ų141.380%0.80279%0.787SS**  cis-130.7-178.733.1-84.4-61.7000115.7
251A28.9Very low30.8Very low97 Ų97142.3 Ų142.380%0.80278%0.782SS**  trans-133.5152.5179.200000112.4
252E27.1Very low30.9Very low205 Ų205147.2 Ų147.296%0.95879%0.785SS**  trans-146.7162.7162.2-138.9172.2-167.800110.7
253M32.4Very low31.5Very low173 Ų173141.6 Ų141.685%0.85278%0.778SS**  trans-144.4136.7-162.4169.8175.764.300111.8
254D27.1Very low31.9Very low157 Ų157147.2 Ų147.284%0.8479%0.794SS**  trans-150.3170.6150.9-151.4-11.8000111
255S30.2Very low32Very low95 Ų95142.5 Ų142.566%0.66480%0.795SS**  trans-144.3-147.1178.6-67.60000112
256P56.3Low32.6Very low109 Ų109140 Ų14071%0.70880%0.795SS**  -108.4-172.7-114.839.2-24.9000113.5
257P46.8Very low32.9Very low134 Ų134138.2 Ų138.287%0.8779%0.791SS**  -132.8175.3125.332.7-20.2000115.3
258V33Very low33.8Very low120 Ų120141 Ų14173%0.72780%0.802SS**  trans-105.5150.7-159.5172.10000113.3Y260V258-Y260 HydrophobicContact CG1-CE2 4.35Å
259G28.4Very low34.2Very low73 Ų73138.5 Ų138.575%0.75380%0.799SS**  trans-150.5112.1170.800000114.9
260Y30Very low34.9Very low201 Ų201137.4 Ų137.479%0.78880%0.804SS**  trans-58.9161.7176.3-56-86.6000114.9V258V258-Y260 HydrophobicContact CG1-CE2 4.35Å
261Q35.4Very low35.5Very low156 Ų156139.9 Ų139.973%0.72981%0.808SS**  cis-174.5174.8-18.1-174.2179.728.500108.7
262Y28.9Very low36.1Very low214 Ų214140.4 Ų140.484%0.83981%0.805SS**  trans89.1140.1155.3-99.5-82.6000121.7
263G35.6Very low36.7Very low70 Ų70140.3 Ų140.372%0.72280%0.802SS**  trans123.790.4139.800000118.2
264Q34.6Very low37.5Very low207 Ų207138.1 Ų138.197%0.96780%0.801SS**  trans-51.8148.3172.2-64.1167-26.300115
265G31.4Very low38.7Very low84 Ų84137.7 Ų137.787%0.86680%0.799SS**  trans179.3126.9163.600000113.6
266S41.8Very low39.6Very low109 Ų109140 Ų14076%0.76280%0.804SS**  trans-97.4141.7171.252.90000110.7
267D32.9Very low39.7Very low151 Ų151142 Ų14281%0.80781%0.808SS**  -170.5169113.8-121.4-49.8000114.8
268V47.3Very low40.3Very low128 Ų128140.4 Ų140.478%0.77680%0.797SS**  trans-80.2119.1-177.9177.80000112.2
269T36.4Very low41.8Very low132 Ų132143.7 Ų143.781%0.8180%0.797SS**  trans-139.3141.6157.838.40000112K271T269-K271 PolarHBondContact O-N 2.72Å
270S42.9Very low43.4Very low121 Ų121147.1 Ų147.185%0.84680%0.795SS**  trans-70.7119.8-174.6-54.70000112.3S272S270-S272 PolarHBondContact O-N 2.78Å
271K38.8Very low46Very low202 Ų202145.2 Ų145.288%0.87879%0.786SS**  trans-71.996.3169.3-79.4-174.9175.4178.10110.8T269T269-K271 PolarHBondContact O-N 2.72Å
272S40.5Very low48.4Very low107 Ų107141.2 Ų141.275%0.74877%0.766SS**  trans-64.2129.6160.350.50000110S270 P274S270-S272 PolarHBondContact O-N 2.78Å; S272-P274 WeakPolarHBondContact O-CD 3.38Å
273F40.1Very low51.3Low203 Ų203138.7 Ų138.789%0.8976%0.76SS**  trans-69.9124173.5-65.7-94000110.4D275F273-D275 PolarHBondContact O-N 2.78Å
274P48.9Very low54Low128 Ų128135.9 Ų135.983%0.83173%0.729SS**  trans-89.174.8175.635.5-32.8000110.8S272 D276S272-P274 WeakPolarHBondContact O-CD 3.38Å; P274-D276 PolarHBondContact O-N 3.03Å
275D51.8Low56.5Low148 Ų148130.7 Ų130.779%0.79171%0.713SS**  trans-92.567.8172.4-16914.8000110.9F273F273-D275 PolarHBondContact O-N 2.78Å
276D49.4Very low59.3Low143 Ų143134 Ų13477%0.76570%0.701SS**  trans-138.157.6179.7-134.9-24000111.1P274P274-D276 PolarHBondContact O-N 3.03Å
277L57.9Low61.6Low151 Ų151130.8 Ų130.879%0.79168%0.678SS**  trans-57.5126.5165.7-79.5173.5000109.1R279L277-R279 PolarHBondContact O-N 3.28Å
278P59.8Low64.3Low101 Ų101130 Ų13066%0.65668%0.681SS**  trans-53.2107.6-172-30.936.3000113M280P278-M280 VanDerWaalsContact C-N 3.34Å; P278-M280 PolarHBondContact O-N 3.24Å
279R64.8Low66.3Low189 Ų189128.3 Ų128.371%0.71366%0.664SS**  trans-69.889.1-174.3-154.1178.9-161.8-178.511.2110.1L277 R281L277-R279 PolarHBondContact O-N 3.28Å; R279-R281 WeakPolarHBondContact O-CG 3.42Å; R279-R281 PolarHBondContact O-N 2.97Å
280M62Low68.9Low144 Ų144125.3 Ų125.371%0.70965%0.645SS**  trans-53.8120.5-171.4-78-66169.800112.2P278P278-M280 VanDerWaalsContact C-N 3.34Å; P278-M280 PolarHBondContact O-N 3.24Å
281R84Confident71.1Confident162 Ų162120.4 Ų120.461%0.61161%0.611SS**  trans-123.2119.2-174.2-81.8170.1-159.3-119.315.1109.3R279 K283 V290R279-R281 WeakPolarHBondContact O-CG 3.42Å; R279-R281 PolarHBondContact O-N 2.97Å; R281-K283 PolarHBondContact O-N 2.79Å; R281-V290 HydrophobicContact CB-CG1 3.7Å; R281-V290 HydrophobicContact CG-CG1 4.26Å
282F87.4Confident73.5Confident71 Ų71118.5 Ų118.531%0.31160%0.602SS.*EExtended strand (participates in β ladder)trans-87.1112.8-177.1-58.2-91.5000108.7V290 V291 R293 K294 L297F282-V290 WeakPolarHBondContact O-CA 3.43Å; F282-V291 HydrophobicContact CB-CG2 3.98Å; F282-V291 PolarHBondContact N-O 3.46Å; F282-V291 PolarHBondContact O-N 3.32Å; F282-R293 VanDerWaalsContact CD2-C 3.41Å; F282-K294 HydrophobicContact CD1-CB 4.11Å; F282-K294 HydrophobicContact CD1-CG 4.4Å; F282-K294 HydrophobicContact CE1-CB 3.78Å; F282-K294 HydrophobicContact CE1-CG 4.18Å; F282-K294 HydrophobicContact CE2-CB 4.44Å; F282-K294 HydrophobicContact CZ-CB 3.96Å; F282-L297 HydrophobicContact CB-CB 4.15Å; F282-L297 HydrophobicContact CB-CD2 3.91Å
283K89.3Confident75.8Confident162 Ų162120.6 Ų120.670%0.70459%0.594SS**EExtended strand (participates in β ladder)trans-82.3147176.4-56.6179.2-176.7175.40109.9R281 V290 L297R281-K283 PolarHBondContact O-N 2.79Å; K283-V290 HydrophobicContact CG-CG1 4.43Å; K283-V290 HydrophobicContact CG-CG2 4.13Å; K283-L297 WeakPolarHBondContact O-CD2 3.49Å
284C91.4Very high78Confident11 Ų11118.5 Ų118.57%0.07458%0.584CS.*  trans-79.3137.7165.4-170.70000110.1Y286 C287 H289 L297 H300C284-Y286 VanDerWaalsContact C-N 3.3Å; C284-C287 WeakPolarHBondContact CB-O 3.27Å; C284-C287 VanDerWaalsContact O-O 3.13Å; C284-H289 WeakPolarHBondContact CB-O 3.44Å; C284-H289 PolarHBondContact N-O 2.84Å; C284-L297 HydrophobicContact CB-CD1 4.16Å; C284-H300 WeakPolarHBondContact CB-NE2 3.49Å; C284-H300 PolarHBondContact SG-NE2 3.43Å
285P88.8Confident79.9Confident98 Ų98115.7 Ų115.764%0.63657%0.571SS**SBendtrans-74.1-19.9173.729.8-34.7000113.1L301P285-L301 HydrophobicContact CG-CD2 4.3Å
286Y88.6Confident81.7Confident154 Ų154109.5 Ų109.560%0.60454%0.539SS*.SBendtrans-104.6-6-172.6-53.7-60.5000114.8C284 L301 H304C284-Y286 VanDerWaalsContact C-N 3.3Å; Y286-L301 HydrophobicContact CD2-CD2 3.91Å; Y286-L301 HydrophobicContact CE2-CD2 3.97Å; Y286-H304 VanDerWaalsContact CB-CE1 3.46Å; Y286-H304 WeakPolarHBondContact CB-CE1 3.29Å; Y286-H304 WeakPolarHBondContact CB-ND1 3.38Å; Y286-H304 HydrophobicContact CD2-CB 3.82Å; Y286-H304 AromaticContact CD2-CG 3.8Å; Y286-H304 HydrophobicContact CE2-CB 4.42Å; Y286-H304 HydrophobicContact CG-CB 4.37Å
287C91.1Very high83.6Confident41 Ų41104 Ų10428%0.27751%0.509SS..SBendtrans-162.7163.1176.968.80000111.1C284 H289 H300 H304C284-C287 WeakPolarHBondContact CB-O 3.27Å; C284-C287 VanDerWaalsContact O-O 3.13Å; C287-H289 PolarHBondContact O-N 3.13Å; C287-H289 VanDerWaalsContact SG-CB 3.59Å; C287-H300 PolarHBondContact SG-NE2 2.89Å; C287-H304 PolarHBondContact SG-NE2 3.44Å; C287-H304 VanDerWaalsContact SG-NE2 3.42Å
288P88.9Confident85.1Confident134 Ų134104 Ų10487%0.8750%0.503SS*.SBendtrans-71.315-177.629.9-37.5000115.1
289H89.8Confident86.4Confident92 Ų92103.8 Ų103.843%0.42649%0.489SS..  trans-78.8133.1-178.2-173.6-110.4000111.5C284 C287 V291 H300C284-H289 WeakPolarHBondContact CB-O 3.44Å; C284-H289 PolarHBondContact N-O 2.84Å; C287-H289 PolarHBondContact O-N 3.13Å; C287-H289 VanDerWaalsContact SG-CB 3.59Å; H289-V291 WeakPolarHBondContact CE1-CG1 3.24Å; H289-H300 AromaticContact CG-CE1 3.96Å; H289-H300 AromaticContact CG-NE2 3.83Å; H289-H300 AromaticContact ND1-CD2 3.46Å; H289-H300 PolarHBondContact ND1-CD2 3.3Å; H289-H300 AromaticContact ND1-CE1 3.54Å; H289-H300 AromaticContact ND1-CG 3.62Å; H289-H300 AromaticContact ND1-ND1 3.67Å; H289-H300 AromaticContact ND1-NE2 3.38Å; H289-H300 PolarHBondContact ND1-NE2 3.02Å
290V90.8Very high87.5Confident69 Ų6996.3 Ų96.342%0.41846%0.462SS..EExtended strand (participates in β ladder)trans-129.6130.2-174-1750000110.2R281 F282 K283R281-V290 HydrophobicContact CB-CG1 3.7Å; R281-V290 HydrophobicContact CG-CG1 4.26Å; F282-V290 WeakPolarHBondContact O-CA 3.43Å; K283-V290 HydrophobicContact CG-CG1 4.43Å; K283-V290 HydrophobicContact CG-CG2 4.13Å
291V89.9Confident88.8Confident19 Ų1991.8 Ų91.812%0.11544%0.44CS..EExtended strand (participates in β ladder)trans-124.4157.7-174.1-59.90000113F282 H289 D296 L297F282-V291 HydrophobicContact CB-CG2 3.98Å; F282-V291 PolarHBondContact N-O 3.46Å; F282-V291 PolarHBondContact O-N 3.32Å; H289-V291 WeakPolarHBondContact CE1-CG1 3.24Å; V291-D296 HydrophobicContact CB-CB 3.96Å; V291-D296 HydrophobicContact CG1-CB 4.35Å; V291-D296 HydrophobicContact CG2-CB 4.04Å; V291-L297 HydrophobicContact CG2-CB 3.69Å
292K89.1Confident89.2Confident162 Ų16286.1 Ų86.170%0.70442%0.419SS*.SBendtrans-82.6-11-173.4-60.9178.6-178.3175.50114.6
293R88.1Confident89.1Confident150 Ų15087 Ų8757%0.56643%0.433SS*.SBendtrans-145.5143.3-176.3-57179.2-63.4176.63.7111.9F282 A295 D296 L297F282-R293 VanDerWaalsContact CD2-C 3.41Å; R293-A295 PolarHBondContact O-N 3.4Å; R293-D296 WeakPolarHBondContact CB-OD2 3.49Å; R293-D296 IonicContact CZ-OD1 3.89Å; R293-D296 IonicContact CZ-OD2 3.31Å; R293-D296 VanDerWaalsContact CZ-OD2 3.31Å; R293-D296 IonicContact NE-OD2 2.74Å; R293-D296 PolarHBondContact NE-OD2 2.98Å; R293-D296 IonicContact NH2-OD1 3.62Å; R293-D296 PolarHBondContact NH2-OD1 3.2Å; R293-D296 IonicContact NH2-OD2 2.74Å; R293-D296 PolarHBondContact NH2-OD2 3.42Å; R293-D296 WeakPolarHBondContact O-CB 3.48Å; R293-D296 PolarHBondContact O-N 2.89Å; R293-L297 PolarHBondContact O-N 3.16Å
294K87.4Confident89Confident160 Ų16083.1 Ų83.170%0.69642%0.417SS*.Hα-helixtrans-53.6-37.6175.8-165175-178.5179.10112.7F282 L297 K298F282-K294 HydrophobicContact CD1-CB 4.11Å; F282-K294 HydrophobicContact CD1-CG 4.4Å; F282-K294 HydrophobicContact CE1-CB 3.78Å; F282-K294 HydrophobicContact CE1-CG 4.18Å; F282-K294 HydrophobicContact CE2-CB 4.44Å; F282-K294 HydrophobicContact CZ-CB 3.96Å; K294-L297 WeakPolarHBondContact O-CB 3.3Å; K294-L297 PolarHBondContact O-N 2.79Å; K294-K298 PolarHBondContact O-N 3Å
295A87.6Confident88.7Confident68 Ų6886.3 Ų86.356%0.56244%0.436SS*.Hα-helixtrans-66.6-3517600000113.8R293 L297 R299R293-A295 PolarHBondContact O-N 3.4Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-R299 PolarHBondContact O-N 3.11Å; A295-R299 VanDerWaalsContact O-N 3.09Å
296D89Confident88.6Confident19 Ų1983.7 Ų83.710%0.10243%0.427CS..Hα-helixtrans-69.7-31.2173.5-65.4-49.8000111V291 R293 R299 H300V291-D296 HydrophobicContact CB-CB 3.96Å; V291-D296 HydrophobicContact CG1-CB 4.35Å; V291-D296 HydrophobicContact CG2-CB 4.04Å; R293-D296 WeakPolarHBondContact CB-OD2 3.49Å; R293-D296 IonicContact CZ-OD1 3.89Å; R293-D296 IonicContact CZ-OD2 3.31Å; R293-D296 VanDerWaalsContact CZ-OD2 3.31Å; R293-D296 IonicContact NE-OD2 2.74Å; R293-D296 PolarHBondContact NE-OD2 2.98Å; R293-D296 IonicContact NH2-OD1 3.62Å; R293-D296 PolarHBondContact NH2-OD1 3.2Å; R293-D296 IonicContact NH2-OD2 2.74Å; R293-D296 PolarHBondContact NH2-OD2 3.42Å; R293-D296 WeakPolarHBondContact O-CB 3.48Å; R293-D296 PolarHBondContact O-N 2.89Å; D296-R299 IonicContact OD1-CZ 3.44Å; D296-R299 IonicContact OD1-NH1 3.35Å; D296-R299 PolarHBondContact OD1-NH1 3.3Å; D296-R299 IonicContact OD1-NH2 2.74Å; D296-R299 PolarHBondContact OD1-NH2 2.82Å; D296-H300 VanDerWaalsContact O-CB 3.3Å; D296-H300 WeakPolarHBondContact O-CB 3.4Å; D296-H300 PolarHBondContact O-N 3.34Å
297L90.6Very high88.5Confident26 Ų2680.9 Ų80.914%0.13642%0.419CS..Hα-helixtrans-70.1-49.2174178.758.3000110.6F282 K283 C284 V291 R293 K294 A295 R299 H300 L301F282-L297 HydrophobicContact CB-CB 4.15Å; F282-L297 HydrophobicContact CB-CD2 3.91Å; K283-L297 WeakPolarHBondContact O-CD2 3.49Å; C284-L297 HydrophobicContact CB-CD1 4.16Å; V291-L297 HydrophobicContact CG2-CB 3.69Å; R293-L297 PolarHBondContact O-N 3.16Å; K294-L297 WeakPolarHBondContact O-CB 3.3Å; K294-L297 PolarHBondContact O-N 2.79Å; A295-L297 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.12Å; L297-H300 CarbonylContact O-C 3.53Å; L297-H300 WeakPolarHBondContact O-CA 3.32Å; L297-H300 WeakPolarHBondContact O-CB 3.34Å; L297-H300 PolarHBondContact O-N 2.85Å; L297-L301 HydrophobicContact CD1-CD1 4.5Å; L297-L301 HydrophobicContact CD1-CD2 4.23Å; L297-L301 HydrophobicContact CD1-CG 4.04Å; L297-L301 HydrophobicContact CG-CD1 4.25Å; L297-L301 HydrophobicContact CG-CG 4.28Å; L297-L301 WeakPolarHBondContact O-CG 3.22Å; L297-L301 PolarHBondContact O-N 3.2Å
298K88.3Confident88.4Confident152 Ų15284.6 Ų84.666%0.66143%0.43SS*.Hα-helixtrans-57.5-34.1176.5-169.3169.8-1761730112.2K294K294-K298 PolarHBondContact O-N 3Å
299R87.9Confident88.4Confident97 Ų9780.8 Ų80.837%0.36641%0.406SS..Hα-helixtrans-71.7-38.1171.6-173.1-177.966.7-113.5-6.1112.9A295 D296 L297 R321A295-R299 PolarHBondContact O-N 3.11Å; A295-R299 VanDerWaalsContact O-N 3.09Å; D296-R299 IonicContact OD1-CZ 3.44Å; D296-R299 IonicContact OD1-NH1 3.35Å; D296-R299 PolarHBondContact OD1-NH1 3.3Å; D296-R299 IonicContact OD1-NH2 2.74Å; D296-R299 PolarHBondContact OD1-NH2 2.82Å; L297-R299 PolarHBondContact O-N 3.12Å; R299-R321 HydrophobicContact CG-CG 4.01Å
300H88.6Confident88.5Confident32 Ų3279.7 Ų79.715%0.14840%0.399CS..Hα-helixtrans-68.7-41.6178.6168.453.1000112.3C284 C287 H289 D296 L297 R302 C303 H304C284-H300 WeakPolarHBondContact CB-NE2 3.49Å; C284-H300 PolarHBondContact SG-NE2 3.43Å; C287-H300 PolarHBondContact SG-NE2 2.89Å; H289-H300 AromaticContact CG-CE1 3.96Å; H289-H300 AromaticContact CG-NE2 3.83Å; H289-H300 AromaticContact ND1-CD2 3.46Å; H289-H300 PolarHBondContact ND1-CD2 3.3Å; H289-H300 AromaticContact ND1-CE1 3.54Å; H289-H300 AromaticContact ND1-CG 3.62Å; H289-H300 AromaticContact ND1-ND1 3.67Å; H289-H300 AromaticContact ND1-NE2 3.38Å; H289-H300 PolarHBondContact ND1-NE2 3.02Å; D296-H300 VanDerWaalsContact O-CB 3.3Å; D296-H300 WeakPolarHBondContact O-CB 3.4Å; D296-H300 PolarHBondContact O-N 3.34Å; L297-H300 CarbonylContact O-C 3.53Å; L297-H300 WeakPolarHBondContact O-CA 3.32Å; L297-H300 WeakPolarHBondContact O-CB 3.34Å; L297-H300 PolarHBondContact O-N 2.85Å; H300-R302 PolarHBondContact O-N 3.46Å; H300-C303 PolarHBondContact O-N 3.45Å; H300-C303 PolarHBondContact O-SG 3.31Å; H300-H304 AromaticContact CE1-NE2 3.86Å; H300-H304 AromaticContact NE2-NE2 3.93Å
301L89.4Confident88.3Confident49 Ų4978.5 Ų78.526%0.25739%0.392SS..Hα-helixtrans-54.2-26.9178.6-70.1173000113.4P285 Y286 L297 C303 H304 T305P285-L301 HydrophobicContact CG-CD2 4.3Å; Y286-L301 HydrophobicContact CD2-CD2 3.91Å; Y286-L301 HydrophobicContact CE2-CD2 3.97Å; L297-L301 HydrophobicContact CD1-CD1 4.5Å; L297-L301 HydrophobicContact CD1-CD2 4.23Å; L297-L301 HydrophobicContact CD1-CG 4.04Å; L297-L301 HydrophobicContact CG-CD1 4.25Å; L297-L301 HydrophobicContact CG-CG 4.28Å; L297-L301 WeakPolarHBondContact O-CG 3.22Å; L297-L301 PolarHBondContact O-N 3.2Å; L301-C303 PolarHBondContact O-N 2.93Å; L301-C303 VanDerWaalsContact O-N 3.13Å; L301-H304 WeakPolarHBondContact O-CA 3.38Å; L301-H304 WeakPolarHBondContact O-CB 3.45Å; L301-H304 PolarHBondContact O-N 2.88Å; L301-T305 PolarHBondContact O-N 2.93Å
302R90.5Very high88Confident43 Ų4377.7 Ų77.716%0.16239%0.387CS..THydrogen-bonded Turntrans-61.1-16173-58.8-175.3177.6155.12114.9H300 H304 G306 E307 Y310 S320H300-R302 PolarHBondContact O-N 3.46Å; R302-H304 VanDerWaalsContact C-N 3.34Å; R302-G306 CarbonylContact O-C 3.48Å; R302-G306 WeakPolarHBondContact O-CA 3.5Å; R302-G306 PolarHBondContact O-N 3.44Å; R302-G306 VanDerWaalsContact O-N 3.12Å; R302-E307 HydrophobicContact CB-CB 4.08Å; R302-E307 HydrophobicContact CG-CB 3.92Å; R302-E307 IonicContact NE-OE2 2.7Å; R302-E307 PolarHBondContact O-N 3.34Å; R302-Y310 PolarHBondContact NH1-OH 2.89Å; R302-S320 WeakPolarHBondContact CD-O 3.42Å; R302-S320 PolarHBondContact NH1-O 2.97Å
303C86.6Confident87.6Confident89 Ų8978.4 Ų78.460%0.60139%0.393SS*.THydrogen-bonded Turntrans-80-17.5169.975.30000113.2H300 L301H300-C303 PolarHBondContact O-N 3.45Å; H300-C303 PolarHBondContact O-SG 3.31Å; L301-C303 PolarHBondContact O-N 2.93Å; L301-C303 VanDerWaalsContact O-N 3.13Å
304H86.4Confident86.7Confident81 Ų8173.9 Ų73.938%0.37539%0.388SS..THydrogen-bonded Turntrans-93.9-43.3173.2-63.4-78.9000111.3Y286 C287 H300 L301 R302 G306Y286-H304 VanDerWaalsContact CB-CE1 3.46Å; Y286-H304 WeakPolarHBondContact CB-CE1 3.29Å; Y286-H304 WeakPolarHBondContact CB-ND1 3.38Å; Y286-H304 HydrophobicContact CD2-CB 3.82Å; Y286-H304 AromaticContact CD2-CG 3.8Å; Y286-H304 HydrophobicContact CE2-CB 4.42Å; Y286-H304 HydrophobicContact CG-CB 4.37Å; C287-H304 PolarHBondContact SG-NE2 3.44Å; C287-H304 VanDerWaalsContact SG-NE2 3.42Å; H300-H304 AromaticContact CE1-NE2 3.86Å; H300-H304 AromaticContact NE2-NE2 3.93Å; L301-H304 WeakPolarHBondContact O-CA 3.38Å; L301-H304 WeakPolarHBondContact O-CB 3.45Å; L301-H304 PolarHBondContact O-N 2.88Å; R302-H304 VanDerWaalsContact C-N 3.34Å; H304-G306 VanDerWaalsContact C-N 3.3Å; H304-G306 PolarHBondContact O-N 3.12Å
305T85.6Confident86.2Confident78 Ų7867.8 Ų67.848%0.47937%0.365SS..SBendtrans-78.9-9.9176.763.80000113.9L301 E307L301-T305 PolarHBondContact O-N 2.93Å; T305-E307 WeakPolarHBondContact CB-OE1 3.14Å; T305-E307 PolarHBondContact O-N 3.14Å; T305-E307 VanDerWaalsContact O-N 3.14Å; T305-E307 VanDerWaalsContact OG1-CD 3.29Å; T305-E307 WeakPolarHBondContact OG1-CG 3.12Å; T305-E307 PolarHBondContact OG1-OE1 2.93Å
306G86.1Confident85.6Confident42 Ų4267.1 Ų67.143%0.43336%0.364SS..  trans71.10.2-178.400000115.3R302 H304 K308R302-G306 CarbonylContact O-C 3.48Å; R302-G306 WeakPolarHBondContact O-CA 3.5Å; R302-G306 PolarHBondContact O-N 3.44Å; R302-G306 VanDerWaalsContact O-N 3.12Å; H304-G306 VanDerWaalsContact C-N 3.3Å; H304-G306 PolarHBondContact O-N 3.12Å; G306-K308 PolarHBondContact O-N 2.93Å
307E87.8Confident85.1Confident95 Ų9569.4 Ų69.444%0.44437%0.373SS..  trans-50.4124-175.4-86.9168.6-115.700114.1R302 T305 P309 S320R302-E307 HydrophobicContact CB-CB 4.08Å; R302-E307 HydrophobicContact CG-CB 3.92Å; R302-E307 IonicContact NE-OE2 2.7Å; R302-E307 PolarHBondContact O-N 3.34Å; T305-E307 WeakPolarHBondContact CB-OE1 3.14Å; T305-E307 PolarHBondContact O-N 3.14Å; T305-E307 VanDerWaalsContact O-N 3.14Å; T305-E307 VanDerWaalsContact OG1-CD 3.29Å; T305-E307 WeakPolarHBondContact OG1-CG 3.12Å; T305-E307 PolarHBondContact OG1-OE1 2.93Å; E307-P309 WeakPolarHBondContact O-CD 3.27Å; E307-S320 WeakPolarHBondContact O-CA 3.33Å; E307-S320 VanDerWaalsContact O-CB 3.27Å; E307-S320 WeakPolarHBondContact O-CB 3.27Å
308K88.6Confident85Confident119 Ų11975 Ų7552%0.51739%0.393SS..  trans-125.376.4175.2-67.5153.3-167.9163.30110.2G306 Y310 R318 F319G306-K308 PolarHBondContact O-N 2.93Å; K308-Y310 VanDerWaalsContact C-N 3.29Å; K308-Y310 PolarHBondContact O-N 2.92Å; K308-R318 HydrophobicContact CB-CB 3.59Å; K308-R318 PolarHBondContact O-NE 3.29Å; K308-R318 PolarHBondContact O-NH2 2.67Å; K308-R318 VanDerWaalsContact O-NH2 3.09Å; K308-F319 CarbonylContact C-O 3.59Å; K308-F319 VanDerWaalsContact C-O 3.28Å; K308-F319 VanDerWaalsContact CA-O 3.24Å; K308-F319 WeakPolarHBondContact CA-O 3.38Å
309P88.4Confident85.1Confident55 Ų5569.9 Ų69.936%0.35737%0.371SS..  trans-75-11.4-175.129.1-34.1000114.3E307 P311E307-P309 WeakPolarHBondContact O-CD 3.27Å; P309-P311 WeakPolarHBondContact O-CD 3.35Å
310Y92.1Very high85.1Confident69 Ų6967.2 Ų67.227%0.27137%0.367SS..EExtended strand (participates in β ladder)trans-105.894.4-177-50.6-76.8000111.7R302 K308 R318 F319 L322R302-Y310 PolarHBondContact NH1-OH 2.89Å; K308-Y310 VanDerWaalsContact C-N 3.29Å; K308-Y310 PolarHBondContact O-N 2.92Å; Y310-R318 WeakPolarHBondContact O-CA 3.39Å; Y310-F319 WeakPolarHBondContact CD2-O 3.38Å; Y310-F319 PolarHBondContact N-O 3.13Å; Y310-F319 VanDerWaalsContact N-O 3.11Å; Y310-F319 PolarHBondContact O-N 3Å; Y310-L322 HydrophobicContact CD1-CB 4.11Å; Y310-L322 HydrophobicContact CD1-CD1 4.03Å; Y310-L322 HydrophobicContact CE1-CB 3.93Å; Y310-L322 HydrophobicContact CE1-CD1 4.41Å; Y310-L322 HydrophobicContact CE2-CB 4.41Å; Y310-L322 HydrophobicContact CG-CB 4.44Å
311P85.6Confident85.2Confident43 Ų4369.5 Ų69.528%0.27937%0.374SS..EExtended strand (participates in β ladder)trans-76.4145.7172.432.4-35.4000112P309 K317 R318 L325P309-P311 WeakPolarHBondContact O-CD 3.35Å; P311-K317 CarbonylContact C-O 3.57Å; P311-R318 HydrophobicContact CB-CG 4.26Å; P311-L325 WeakPolarHBondContact O-CD2 3.47Å
312C83.8Confident85.2Confident2 Ų271.7 Ų71.71%0.01439%0.386CS..  trans-85.9112.8165.6-174.50000110A314 C315 G316 K317 F319 L325C312-A314 PolarHBondContact O-N 3.33Å; C312-A314 VanDerWaalsContact O-N 3.17Å; C312-C315 PolarHBondContact O-N 2.59Å; C312-C315 VanDerWaalsContact O-N 3.16Å; C312-G316 WeakPolarHBondContact O-CA 3.43Å; C312-G316 PolarHBondContact O-N 2.94Å; C312-K317 WeakPolarHBondContact CB-O 3.41Å; C312-K317 PolarHBondContact N-O 2.84Å; C312-F319 HydrophobicContact CB-CE2 4.27Å; C312-L325 HydrophobicContact CB-CD1 3.51Å
313Q81.8Confident85.1Confident178 Ų17873.3 Ų73.383%0.83240%0.398SS*.THydrogen-bonded Turntrans-60.3-28-178.7-55.8-62.514.900113.1
314A68.9Low85.2Confident55 Ų5572.9 Ų72.946%0.45539%0.387SS..THydrogen-bonded Turntrans-84.6-4.9-179.300000115.2C312 F329 H333C312-A314 PolarHBondContact O-N 3.33Å; C312-A314 VanDerWaalsContact O-N 3.17Å; A314-F329 HydrophobicContact CB-CE2 4Å; A314-H333 HydrophobicContact CB-CB 4.48Å; A314-H333 WeakPolarHBondContact CB-ND1 3.33Å; A314-H333 PolarHBondContact O-CE1 3.13Å
315C75.7Confident85.4Confident31 Ų3170.2 Ų70.221%0.20938%0.375CS..THydrogen-bonded Turntrans-157.110.6175.270.90000116.7C312 K317 H328 H333C312-C315 PolarHBondContact O-N 2.59Å; C312-C315 VanDerWaalsContact O-N 3.16Å; C315-K317 PolarHBondContact O-N 3.17Å; C315-H328 PolarHBondContact SG-NE2 3.05Å; C315-H333 PolarHBondContact SG-NE2 3.4Å; C315-H333 VanDerWaalsContact SG-NE2 3.43Å
316G75.9Confident85.4Confident54 Ų5469 Ų6956%0.55737%0.37SS*.  trans70.5-12.6-179.600000116.1C312 R318C312-G316 WeakPolarHBondContact O-CA 3.43Å; C312-G316 PolarHBondContact O-N 2.94Å; G316-R318 WeakPolarHBondContact O-CG 3.23Å; G316-R318 PolarHBondContact O-N 3.2Å
317K79.4Confident85.2Confident67 Ų6770.3 Ų70.329%0.29137%0.372SS..  trans-63.6128.8-175-69.8-166.9173-162.60111.8P311 C312 C315 F319 T359P311-K317 CarbonylContact C-O 3.57Å; C312-K317 WeakPolarHBondContact CB-O 3.41Å; C312-K317 PolarHBondContact N-O 2.84Å; C315-K317 PolarHBondContact O-N 3.17Å; K317-F319 HydrophobicContact CB-CE2 4.01Å; K317-F319 HydrophobicContact CB-CZ 4.22Å; K317-F319 WeakPolarHBondContact O-CD2 3.12Å; K317-F319 VanDerWaalsContact O-CE2 3.26Å; K317-F319 WeakPolarHBondContact O-CE2 3.4Å; K317-T359 PolarHBondContact NZ-O 2.93Å
318R88.1Confident85Confident144 Ų14466.9 Ų66.954%0.54336%0.356SS..EExtended strand (participates in β ladder)trans-104136.8-174.3-51.2-172.564.8115.41.7112.4K308 Y310 P311 G316K308-R318 HydrophobicContact CB-CB 3.59Å; K308-R318 PolarHBondContact O-NE 3.29Å; K308-R318 PolarHBondContact O-NH2 2.67Å; K308-R318 VanDerWaalsContact O-NH2 3.09Å; Y310-R318 WeakPolarHBondContact O-CA 3.39Å; P311-R318 HydrophobicContact CB-CG 4.26Å; G316-R318 WeakPolarHBondContact O-CG 3.23Å; G316-R318 PolarHBondContact O-N 3.2Å
319F89.6Confident84.6Confident44 Ų4465 Ų6519%0.19335%0.348CS..EExtended strand (participates in β ladder)trans-119.8149.2-177.2-59.4-92.1000111.4K308 Y310 C312 K317 R321 H324 L325 H328K308-F319 CarbonylContact C-O 3.59Å; K308-F319 VanDerWaalsContact C-O 3.28Å; K308-F319 VanDerWaalsContact CA-O 3.24Å; K308-F319 WeakPolarHBondContact CA-O 3.38Å; Y310-F319 WeakPolarHBondContact CD2-O 3.38Å; Y310-F319 PolarHBondContact N-O 3.13Å; Y310-F319 VanDerWaalsContact N-O 3.11Å; Y310-F319 PolarHBondContact O-N 3Å; C312-F319 HydrophobicContact CB-CE2 4.27Å; K317-F319 HydrophobicContact CB-CE2 4.01Å; K317-F319 HydrophobicContact CB-CZ 4.22Å; K317-F319 WeakPolarHBondContact O-CD2 3.12Å; K317-F319 VanDerWaalsContact O-CE2 3.26Å; K317-F319 WeakPolarHBondContact O-CE2 3.4Å; F319-R321 VanDerWaalsContact C-N 3.29Å; F319-H324 HydrophobicContact CB-CB 4.48Å; F319-H324 HydrophobicContact CD1-CB 4.03Å; F319-L325 HydrophobicContact CB-CB 4.29Å; F319-L325 HydrophobicContact CD2-CB 3.89Å; F319-L325 HydrophobicContact CD2-CD1 3.94Å; F319-L325 HydrophobicContact CD2-CG 4.49Å; F319-L325 HydrophobicContact CE2-CD1 4.06Å; F319-L325 HydrophobicContact CG-CB 4.18Å; F319-H328 HydrophobicContact CE1-CB 4.01Å; F319-H328 HydrophobicContact CE2-CB 4.21Å; F319-H328 AromaticContact CE2-CD2 3.3Å; F319-H328 WeakPolarHBondContact CE2-CD2 3.25Å; F319-H328 AromaticContact CE2-CG 3.88Å; F319-H328 HydrophobicContact CZ-CB 3.61Å; F319-H328 AromaticContact CZ-CD2 3.25Å; F319-H328 WeakPolarHBondContact CZ-CD2 3.29Å; F319-H328 AromaticContact CZ-CG 3.37Å; F319-H328 AromaticContact CZ-NE2 3.94Å
320S89.3Confident84.1Confident42 Ų4270.7 Ų70.729%0.29436%0.363SS..SBendtrans-79.8-11175.3560000113.6R302 E307R302-S320 WeakPolarHBondContact CD-O 3.42Å; R302-S320 PolarHBondContact NH1-O 2.97Å; E307-S320 WeakPolarHBondContact O-CA 3.33Å; E307-S320 VanDerWaalsContact O-CB 3.27Å; E307-S320 WeakPolarHBondContact O-CB 3.27Å
321R89.5Confident83Confident80 Ų8071.6 Ų71.630%0.30238%0.375SS..SBendtrans-141.1141.5-175.9-67.4174.151.6170.8-2.7112.1R299 F319 D323 H324 L325R299-R321 HydrophobicContact CG-CG 4.01Å; F319-R321 VanDerWaalsContact C-N 3.29Å; R321-D323 WeakPolarHBondContact CB-OD1 3.39Å; R321-D323 IonicContact CZ-OD1 3.58Å; R321-D323 IonicContact CZ-OD2 2.62Å; R321-D323 IonicContact NE-OD1 2.95Å; R321-D323 PolarHBondContact NE-OD1 3.12Å; R321-D323 IonicContact NE-OD2 3Å; R321-D323 IonicContact NH2-OD1 3.36Å; R321-D323 PolarHBondContact NH2-OD1 3.06Å; R321-D323 IonicContact NH2-OD2 2.78Å; R321-D323 PolarHBondContact NH2-OD2 2.89Å; R321-H324 HydrophobicContact CB-CB 4.29Å; R321-H324 WeakPolarHBondContact CD-NE2 3.48Å; R321-H324 PolarHBondContact NE-CE1 2.72Å; R321-H324 PolarHBondContact O-N 3.46Å; R321-L325 PolarHBondContact O-N 3.14Å
322L89.9Confident82.3Confident95 Ų9573.2 Ų73.250%0.49738%0.381SS..Hα-helixtrans-65.9-41.8179.2-177.560.7000112.2Y310 H324 L325 S326Y310-L322 HydrophobicContact CD1-CB 4.11Å; Y310-L322 HydrophobicContact CD1-CD1 4.03Å; Y310-L322 HydrophobicContact CE1-CB 3.93Å; Y310-L322 HydrophobicContact CE1-CD1 4.41Å; Y310-L322 HydrophobicContact CE2-CB 4.41Å; Y310-L322 HydrophobicContact CG-CB 4.44Å; L322-H324 PolarHBondContact O-N 3.48Å; L322-L325 HydrophobicContact CD1-CD2 4.33Å; L322-L325 CarbonylContact O-C 3.51Å; L322-L325 WeakPolarHBondContact O-CA 3.41Å; L322-L325 WeakPolarHBondContact O-CB 3.44Å; L322-L325 PolarHBondContact O-N 3.09Å; L322-S326 PolarHBondContact O-N 3.17Å; L322-S326 PolarHBondContact O-OG 3.13Å
323D88.4Confident81.7Confident77 Ų7776.5 Ų76.541%0.41240%0.396SS..Hα-helixtrans-63.5-30.4-18065.8-74.3000112.9R321 S327R321-D323 WeakPolarHBondContact CB-OD1 3.39Å; R321-D323 IonicContact CZ-OD1 3.58Å; R321-D323 IonicContact CZ-OD2 2.62Å; R321-D323 IonicContact NE-OD1 2.95Å; R321-D323 PolarHBondContact NE-OD1 3.12Å; R321-D323 IonicContact NE-OD2 3Å; R321-D323 IonicContact NH2-OD1 3.36Å; R321-D323 PolarHBondContact NH2-OD1 3.06Å; R321-D323 IonicContact NH2-OD2 2.78Å; R321-D323 PolarHBondContact NH2-OD2 2.89Å; D323-S327 VanDerWaalsContact O-CB 3.28Å; D323-S327 WeakPolarHBondContact O-CB 3.38Å; D323-S327 PolarHBondContact O-N 3.16Å
324H87.9Confident80.9Confident80 Ų8073.7 Ų73.737%0.3738%0.383SS..Hα-helixtrans-72.3-38173.3-64.1-1.3000111.7F319 R321 L322 H328F319-H324 HydrophobicContact CB-CB 4.48Å; F319-H324 HydrophobicContact CD1-CB 4.03Å; R321-H324 HydrophobicContact CB-CB 4.29Å; R321-H324 WeakPolarHBondContact CD-NE2 3.48Å; R321-H324 PolarHBondContact NE-CE1 2.72Å; R321-H324 PolarHBondContact O-N 3.46Å; L322-H324 PolarHBondContact O-N 3.48Å; H324-H328 VanDerWaalsContact O-CB 3.25Å; H324-H328 WeakPolarHBondContact O-CB 3.47Å; H324-H328 PolarHBondContact O-N 3.04Å
325L90.4Very high79.9Confident25 Ų2572.8 Ų72.813%0.13138%0.375CS..Hα-helixtrans-63.4-47.6169.8169.560.2000111.3P311 C312 F319 R321 L322 S327 H328 F329P311-L325 WeakPolarHBondContact O-CD2 3.47Å; C312-L325 HydrophobicContact CB-CD1 3.51Å; F319-L325 HydrophobicContact CB-CB 4.29Å; F319-L325 HydrophobicContact CD2-CB 3.89Å; F319-L325 HydrophobicContact CD2-CD1 3.94Å; F319-L325 HydrophobicContact CD2-CG 4.49Å; F319-L325 HydrophobicContact CE2-CD1 4.06Å; F319-L325 HydrophobicContact CG-CB 4.18Å; R321-L325 PolarHBondContact O-N 3.14Å; L322-L325 HydrophobicContact CD1-CD2 4.33Å; L322-L325 CarbonylContact O-C 3.51Å; L322-L325 WeakPolarHBondContact O-CA 3.41Å; L322-L325 WeakPolarHBondContact O-CB 3.44Å; L322-L325 PolarHBondContact O-N 3.09Å; L325-S327 PolarHBondContact O-N 2.94Å; L325-H328 PolarHBondContact O-N 3.44Å; L325-F329 WeakPolarHBondContact O-CB 3.33Å; L325-F329 PolarHBondContact O-N 3.38Å
326S86Confident78.6Confident53 Ų5377.9 Ų77.937%0.37141%0.409SS..Hα-helixtrans-63.1-39.9179.8-560000112.3L322 R330L322-S326 PolarHBondContact O-N 3.17Å; L322-S326 PolarHBondContact O-OG 3.13Å; S326-R330 WeakPolarHBondContact O-CB 3.23Å; S326-R330 WeakPolarHBondContact O-CG 3.47Å; S326-R330 PolarHBondContact O-N 3.26Å
327S81.9Confident77.5Confident69 Ų6981.6 Ų81.648%0.48341%0.41SS..Hα-helixtrans-64.9-44.7173.5-177.30000111.8D323 L325 R330 T331D323-S327 VanDerWaalsContact O-CB 3.28Å; D323-S327 WeakPolarHBondContact O-CB 3.38Å; D323-S327 PolarHBondContact O-N 3.16Å; L325-S327 PolarHBondContact O-N 2.94Å; S327-R330 PolarHBondContact O-N 2.82Å; S327-T331 WeakPolarHBondContact O-CB 3.41Å; S327-T331 WeakPolarHBondContact O-CG2 3.43Å; S327-T331 PolarHBondContact O-N 2.66Å; S327-T331 PolarHBondContact O-OG1 3.34Å
328H83.2Confident76.9Confident23 Ų2379.4 Ų79.411%0.10640%0.402CS..Hα-helixtrans-60.5-47.3174.2164.656.5000112.5C315 F319 H324 L325 T331 I332 H333C315-H328 PolarHBondContact SG-NE2 3.05Å; F319-H328 HydrophobicContact CE1-CB 4.01Å; F319-H328 HydrophobicContact CE2-CB 4.21Å; F319-H328 AromaticContact CE2-CD2 3.3Å; F319-H328 WeakPolarHBondContact CE2-CD2 3.25Å; F319-H328 AromaticContact CE2-CG 3.88Å; F319-H328 HydrophobicContact CZ-CB 3.61Å; F319-H328 AromaticContact CZ-CD2 3.25Å; F319-H328 WeakPolarHBondContact CZ-CD2 3.29Å; F319-H328 AromaticContact CZ-CG 3.37Å; F319-H328 AromaticContact CZ-NE2 3.94Å; H324-H328 VanDerWaalsContact O-CB 3.25Å; H324-H328 WeakPolarHBondContact O-CB 3.47Å; H324-H328 PolarHBondContact O-N 3.04Å; L325-H328 PolarHBondContact O-N 3.44Å; H328-T331 PolarHBondContact O-N 2.61Å; H328-T331 PolarHBondContact O-OG1 3.19Å; H328-I332 WeakPolarHBondContact ND1-CG1 3.36Å; H328-I332 VanDerWaalsContact O-CB 3.29Å; H328-I332 WeakPolarHBondContact O-CB 3.37Å; H328-I332 WeakPolarHBondContact O-CG1 3.33Å; H328-I332 PolarHBondContact O-N 3.11Å; H328-H333 AromaticContact CE1-NE2 3.81Å; H328-H333 AromaticContact NE2-CD2 3.94Å; H328-H333 AromaticContact NE2-NE2 3.71Å
329F79.9Confident76Confident78 Ų7876.8 Ų76.834%0.34240%0.398SS..Iπ-helixtrans-62.5-46.3178.9-167.8-100.7000110.9A314 L325 T331 H333 Q334A314-F329 HydrophobicContact CB-CE2 4Å; L325-F329 WeakPolarHBondContact O-CB 3.33Å; L325-F329 PolarHBondContact O-N 3.38Å; F329-T331 PolarHBondContact O-N 2.96Å; F329-H333 HydrophobicContact CD2-CB 3.87Å; F329-H333 HydrophobicContact CE2-CB 3.94Å; F329-H333 HydrophobicContact CG-CB 4.34Å; F329-H333 HydrophobicContact CZ-CB 4.46Å; F329-H333 CarbonylContact O-C 3.27Å; F329-H333 WeakPolarHBondContact O-CA 3.25Å; F329-H333 WeakPolarHBondContact O-CB 3.18Å; F329-H333 PolarHBondContact O-N 2.85Å; F329-Q334 HydrophobicContact CD1-CB 4.14Å; F329-Q334 HydrophobicContact CE1-CB 4.1Å; F329-Q334 HydrophobicContact CE1-CG 4.32Å; F329-Q334 PolarHBondContact O-N 2.92Å
330R79.5Confident75.5Confident176 Ų17674.7 Ų74.766%0.66439%0.388SS*.Iπ-helixtrans-61.9-41.4175.3-73.5178.4-180-1171.4112.9S326 S327 A335S326-R330 WeakPolarHBondContact O-CB 3.23Å; S326-R330 WeakPolarHBondContact O-CG 3.47Å; S326-R330 PolarHBondContact O-N 3.26Å; S327-R330 PolarHBondContact O-N 2.82Å; R330-A335 WeakPolarHBondContact O-CB 3.45Å; R330-A335 PolarHBondContact O-N 3.12Å
331T68.7Low75Confident87 Ų8777.4 Ų77.453%0.53439%0.392SS..Iπ-helixtrans-84.6-25-175.352.40000115.3S327 H328 F329S327-T331 WeakPolarHBondContact O-CB 3.41Å; S327-T331 WeakPolarHBondContact O-CG2 3.43Å; S327-T331 PolarHBondContact O-N 2.66Å; S327-T331 PolarHBondContact O-OG1 3.34Å; H328-T331 PolarHBondContact O-N 2.61Å; H328-T331 PolarHBondContact O-OG1 3.19Å; F329-T331 PolarHBondContact O-N 2.96Å
332I71.3Confident74.5Confident78 Ų7877.9 Ų77.940%0.440%0.397SS..Iπ-helixtrans-110.1-29.3-175.3-55.5-57.4000112.8H328H328-I332 WeakPolarHBondContact ND1-CG1 3.36Å; H328-I332 VanDerWaalsContact O-CB 3.29Å; H328-I332 WeakPolarHBondContact O-CB 3.37Å; H328-I332 WeakPolarHBondContact O-CG1 3.33Å; H328-I332 PolarHBondContact O-N 3.11Å
333H71.6Confident74.1Confident71 Ų7176 Ų7633%0.32939%0.391SS..Iπ-helixtrans-119.3-31.2-171.7-64.6-73.2000114.9A314 C315 H328 F329A314-H333 HydrophobicContact CB-CB 4.48Å; A314-H333 WeakPolarHBondContact CB-ND1 3.33Å; A314-H333 PolarHBondContact O-CE1 3.13Å; C315-H333 PolarHBondContact SG-NE2 3.4Å; C315-H333 VanDerWaalsContact SG-NE2 3.43Å; H328-H333 AromaticContact CE1-NE2 3.81Å; H328-H333 AromaticContact NE2-CD2 3.94Å; H328-H333 AromaticContact NE2-NE2 3.71Å; F329-H333 HydrophobicContact CD2-CB 3.87Å; F329-H333 HydrophobicContact CE2-CB 3.94Å; F329-H333 HydrophobicContact CG-CB 4.34Å; F329-H333 HydrophobicContact CZ-CB 4.46Å; F329-H333 CarbonylContact O-C 3.27Å; F329-H333 WeakPolarHBondContact O-CA 3.25Å; F329-H333 WeakPolarHBondContact O-CB 3.18Å; F329-H333 PolarHBondContact O-N 2.85Å
334Q63.3Low73.7Confident119 Ų11979 Ų7956%0.55640%0.4SS*.Iπ-helixtrans-115.4-7.1-170.9-152.6175.914.700115.2F329 C336F329-Q334 HydrophobicContact CD1-CB 4.14Å; F329-Q334 HydrophobicContact CE1-CB 4.1Å; F329-Q334 HydrophobicContact CE1-CG 4.32Å; F329-Q334 PolarHBondContact O-N 2.92Å; Q334-C336 PolarHBondContact O-N 3.16Å
335A49Very low73.2Confident36 Ų3682.1 Ų82.130%0.29841%0.409SS..  trans-80.7113.7175.600000111.3R330 K337R330-A335 WeakPolarHBondContact O-CB 3.45Å; R330-A335 PolarHBondContact O-N 3.12Å; A335-K337 PolarHBondContact O-N 3.26Å
336C47.2Very low72.3Confident137 Ų13786.7 Ų86.793%0.92643%0.429SS*.SBendtrans-67.930.8164.2-54.90000113.4Q334Q334-C336 PolarHBondContact O-N 3.16Å
337K53.6Low71.6Confident133 Ų13384.6 Ų84.658%0.57841%0.414SS*.  trans-141.567.9172.4-66.1-178.5-176.3175.70106.2A335 I339A335-K337 PolarHBondContact O-N 3.26Å; K337-I339 PolarHBondContact O-N 3.36Å
338L67.3Low71Confident21 Ų2184.8 Ų84.811%0.1141%0.412CS..EExtended strand (participates in β ladder)trans-63.6128.4170.8-55.5160.5000106.4H346 V347 R363L338-H346 CarbonylContact O-C 3.58Å; L338-H346 WeakPolarHBondContact O-CA 3.3Å; L338-V347 HydrophobicContact CB-CB 4.21Å; L338-V347 WeakPolarHBondContact CB-O 3.46Å; L338-V347 WeakPolarHBondContact O-CA 3.46Å; L338-V347 WeakPolarHBondContact O-CB 3.43Å; L338-V347 WeakPolarHBondContact O-CG2 3.46Å; L338-V347 PolarHBondContact O-N 3.43Å; L338-R363 VanDerWaalsContact CD1-CZ 3.46Å
339I69.3Low69.9Low89 Ų8989.4 Ų89.446%0.45644%0.438SS..EExtended strand (participates in β ladder)trans-115.8127.9-174.5-72.5166.8000109.5K337 R341 K344K337-I339 PolarHBondContact O-N 3.36Å; I339-R341 PolarHBondContact O-N 3.27Å; I339-K344 HydrophobicContact CG2-CB 4.47Å
340C78.2Confident69.1Low0 Ų093.2 Ų93.20%046%0.461CS..  trans-62.7124.6176.4176.50000110.2K342 C343 K344 R345 V347 R363 C365C340-K342 PolarHBondContact O-N 2.88Å; C340-K342 PolarHBondContact SG-N 2.93Å; C340-C343 VanDerWaalsContact CB-SG 3.52Å; C340-C343 PolarHBondContact SG-N 3.29Å; C340-C343 PolarHBondContact SG-SG 3.44Å; C340-K344 VanDerWaalsContact O-CA 3.27Å; C340-K344 WeakPolarHBondContact O-CA 3.44Å; C340-K344 PolarHBondContact O-N 3.03Å; C340-R345 PolarHBondContact N-O 2.93Å; C340-V347 HydrophobicContact CB-CG2 3.81Å; C340-R363 WeakPolarHBondContact CA-O 3.42Å; C340-C365 HydrophobicContact CB-CB 4.31Å; C340-C365 PolarHBondContact SG-N 3.27Å; C340-C365 VanDerWaalsContact SG-N 3.4Å
341R79.3Confident68.7Low98 Ų9887.9 Ų87.937%0.3745%0.448SS..THydrogen-bonded Turntrans-59.1-34179.5-176177.7169.4-151.3-10.1112.2I339 K344 E357 Y362 R363 L364I339-R341 PolarHBondContact O-N 3.27Å; R341-K344 PolarHBondContact O-NZ 3.43Å; R341-E357 IonicContact CZ-OE2 2.95Å; R341-E357 IonicContact NH1-OE2 2.78Å; R341-E357 PolarHBondContact NH1-OE2 2.97Å; R341-E357 IonicContact NH2-OE2 3.33Å; R341-Y362 HydrophobicContact CB-CD2 3.71Å; R341-Y362 HydrophobicContact CB-CG 4.19Å; R341-Y362 VanDerWaalsContact CD-CD2 3.44Å; R341-Y362 HydrophobicContact CG-CD2 4.17Å; R341-Y362 HydrophobicContact CG-CG 4.37Å; R341-R363 PolarHBondContact N-O 2.86Å; R341-L364 HydrophobicContact CB-CD2 4.31Å
342K79Confident68.8Low91 Ų9183.9 Ų83.940%0.39642%0.424SS..THydrogen-bonded Turntrans-78-73.9-179.7-158.6-178.1-167.4-173.30111.2C340 K344 L364 C368 E371C340-K342 PolarHBondContact O-N 2.88Å; C340-K342 PolarHBondContact SG-N 2.93Å; K342-K344 PolarHBondContact O-N 2.97Å; K342-L364 HydrophobicContact CB-CD2 3.85Å; K342-C368 HydrophobicContact CB-CB 3.99Å; K342-C368 HydrophobicContact CD-CB 3.66Å; K342-C368 HydrophobicContact CG-CB 4.38Å; K342-E371 WeakPolarHBondContact CE-OE2 3.49Å; K342-E371 VanDerWaalsContact NZ-CB 3.25Å; K342-E371 IonicContact NZ-OE2 3.6Å; K342-E371 PolarHBondContact NZ-OE2 3.22Å
343C82.2Confident68.9Low56 Ų5684.4 Ų84.438%0.37843%0.425SS..THydrogen-bonded Turntrans-86-2-172.168.10000116.4C340 R345 C368C340-C343 VanDerWaalsContact CB-SG 3.52Å; C340-C343 PolarHBondContact SG-N 3.29Å; C340-C343 PolarHBondContact SG-SG 3.44Å; C343-R345 PolarHBondContact O-N 2.92Å; C343-R345 VanDerWaalsContact SG-CB 3.56Å; C343-C368 VanDerWaalsContact SG-SG 3.64Å
344K78.6Confident69Low140 Ų14084.4 Ų84.461%0.60943%0.43SS*.  trans58.94.6-177.4-48.4-52.2-174.6-164.30116.5I339 C340 R341 K342I339-K344 HydrophobicContact CG2-CB 4.47Å; C340-K344 VanDerWaalsContact O-CA 3.27Å; C340-K344 WeakPolarHBondContact O-CA 3.44Å; C340-K344 PolarHBondContact O-N 3.03Å; R341-K344 PolarHBondContact O-NZ 3.43Å; K342-K344 PolarHBondContact O-N 2.97Å
345R78.6Confident69.6Low145 Ų14579.3 Ų79.355%0.54741%0.407SS..  trans-62.6149.3173.6-152.1175.7-160.2166.12.9110.5C340 C343 V347 E367C340-R345 PolarHBondContact N-O 2.93Å; C343-R345 PolarHBondContact O-N 2.92Å; C343-R345 VanDerWaalsContact SG-CB 3.56Å; R345-V347 WeakPolarHBondContact O-CG2 3.49Å; R345-E367 IonicContact NH1-OE1 3.06Å; R345-E367 PolarHBondContact NH1-OE1 2.94Å; R345-E367 IonicContact NH1-OE2 2.84Å; R345-E367 PolarHBondContact NH1-OE2 3.29Å
346H71.7Confident70.5Confident121 Ų12182.6 Ų82.656%0.5642%0.416SS*.EExtended strand (participates in β ladder)trans-64.3149.9165.1-70.1-179.9000110.3L338L338-H346 CarbonylContact O-C 3.58Å; L338-H346 WeakPolarHBondContact O-CA 3.3Å
347V70Confident71.4Confident8 Ų880.5 Ų80.55%0.04839%0.392CS..EExtended strand (participates in β ladder)trans-144158.3-172.7-155.50000108.2L338 C340 R345 T351 C365L338-V347 HydrophobicContact CB-CB 4.21Å; L338-V347 WeakPolarHBondContact CB-O 3.46Å; L338-V347 WeakPolarHBondContact O-CA 3.46Å; L338-V347 WeakPolarHBondContact O-CB 3.43Å; L338-V347 WeakPolarHBondContact O-CG2 3.46Å; L338-V347 PolarHBondContact O-N 3.43Å; C340-V347 HydrophobicContact CB-CG2 3.81Å; R345-V347 WeakPolarHBondContact O-CG2 3.49Å; V347-T351 WeakPolarHBondContact CG1-O 3.48Å; V347-T351 WeakPolarHBondContact CG1-OG1 3.45Å; V347-C365 HydrophobicContact CG1-CB 4.09Å; V347-C365 HydrophobicContact CG2-CB 4.22Å
348T70Confident72.4Confident74 Ų7477 Ų7745%0.45440%0.395SS..  trans-124.8169.9173.361.10000109.1L350 T351 G352T348-L350 PolarHBondContact O-N 3.28Å; T348-L350 VanDerWaalsContact O-N 3.14Å; T348-T351 PolarHBondContact N-OG1 3.06Å; T348-T351 PolarHBondContact O-N 3.31Å; T348-T351 PolarHBondContact O-OG1 3.01Å; T348-T351 PolarHBondContact OG1-N 3.31Å; T348-T351 PolarHBondContact OG1-OG1 2.86Å; T348-G352 PolarHBondContact O-N 3Å
349D59.8Low72Confident119 Ų11981.8 Ų81.864%0.63643%0.425SS*.THydrogen-bonded Turntrans-61.4-21.7177.2-65-73.3000114.4R363D349-R363 IonicContact OD1-CZ 2.68Å; D349-R363 IonicContact OD1-NH1 3.06Å; D349-R363 PolarHBondContact OD1-NH1 2.67Å; D349-R363 IonicContact OD1-NH2 2.8Å; D349-R363 PolarHBondContact OD1-NH2 3.46Å
350L63.7Low70.9Confident158 Ų15884.4 Ų84.483%0.82743%0.429SS*.THydrogen-bonded Turntrans-86.2-17173.9-58.4176.2000114T348 N366T348-L350 PolarHBondContact O-N 3.28Å; T348-L350 VanDerWaalsContact O-N 3.14Å; L350-N366 PolarHBondContact O-ND2 2.89Å
351T69.9Low70.3Confident64 Ų6489.5 Ų89.539%0.39345%0.448SS..THydrogen-bonded Turntrans-114.85.5-172.454.40000114.1V347 T348 C365 N366V347-T351 WeakPolarHBondContact CG1-O 3.48Å; V347-T351 WeakPolarHBondContact CG1-OG1 3.45Å; T348-T351 PolarHBondContact N-OG1 3.06Å; T348-T351 PolarHBondContact O-N 3.31Å; T348-T351 PolarHBondContact O-OG1 3.01Å; T348-T351 PolarHBondContact OG1-N 3.31Å; T348-T351 PolarHBondContact OG1-OG1 2.86Å; T351-C365 CarbonylContact O-C 3.59Å; T351-C365 VanDerWaalsContact O-CA 3.23Å; T351-C365 WeakPolarHBondContact O-CA 3.37Å; T351-C365 WeakPolarHBondContact O-CB 3.46Å; T351-N366 PolarHBondContact O-N 2.99Å; T351-N366 PolarHBondContact O-OD1 3.42Å
352G71.5Confident69.8Low3 Ų386 Ų863%0.03144%0.435CS..  trans-172.4141.417400000116.5T348 R363 L364 N366T348-G352 PolarHBondContact O-N 3Å; G352-R363 VanDerWaalsContact O-CD 3.29Å; G352-R363 WeakPolarHBondContact O-CD 3.41Å; G352-R363 PolarHBondContact O-NH1 3Å; G352-L364 CarbonylContact C-O 3.51Å; G352-L364 VanDerWaalsContact C-O 3.27Å; G352-L364 WeakPolarHBondContact CA-O 3.46Å; G352-N366 VanDerWaalsContact CA-OD1 3.24Å; G352-N366 WeakPolarHBondContact CA-OD1 3.46Å; G352-N366 PolarHBondContact N-OD1 3.33Å
353Q73.1Confident69.5Low90 Ų9083.7 Ų83.742%0.42142%0.424SS..  trans-100.2150.3-175.1-163.6173.82.300112.2R363 L364 L369Q353-R363 WeakPolarHBondContact O-CA 3.45Å; Q353-R363 VanDerWaalsContact O-CG 3.25Å; Q353-R363 WeakPolarHBondContact O-CG 3.34Å; Q353-L364 PolarHBondContact N-O 2.88Å; Q353-L364 VanDerWaalsContact N-O 3.08Å; Q353-L364 PolarHBondContact O-N 2.94Å; Q353-L369 HydrophobicContact CB-CD2 4Å
354V73.8Confident69.4Low71 Ų7181.1 Ų81.143%0.4341%0.406SS..EExtended strand (participates in β ladder)trans-85.3112.8174.4-1800000109.5R361 Y362 R363V354-R361 HydrophobicContact CG1-CB 4.22Å; V354-Y362 CarbonylContact C-O 3.56Å; V354-Y362 WeakPolarHBondContact CA-O 3.48Å; V354-R363 HydrophobicContact CG2-CB 4.37Å; V354-R363 HydrophobicContact CG2-CG 4.19Å
355V75.9Confident69.7Low12 Ų1274.8 Ų74.87%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-89.6142.7175.4-177.90000109.6R361 Y362 L364 L369V355-R361 WeakPolarHBondContact O-CA 3.36Å; V355-Y362 HydrophobicContact CB-CD2 4.48Å; V355-Y362 HydrophobicContact CB-CE2 4.08Å; V355-Y362 HydrophobicContact CG1-CE2 4.42Å; V355-Y362 PolarHBondContact N-O 3.21Å; V355-Y362 PolarHBondContact O-N 3.09Å; V355-L364 HydrophobicContact CG2-CD1 4.05Å; V355-L364 HydrophobicContact CG2-CG 4.19Å; V355-L369 HydrophobicContact CG2-CD1 3.59Å
356Q68.9Low69.9Low104 Ų10471.9 Ų71.949%0.48638%0.375SS..EExtended strand (participates in β ladder)trans-112.2119.7170.3-177.7170.6-37.500110.8G358 R360 R361Q356-G358 VanDerWaalsContact CG-O 3.23Å; Q356-G358 WeakPolarHBondContact CG-O 3.36Å; Q356-G358 PolarHBondContact NE2-O 2.95Å; Q356-R360 CarbonylContact C-O 3.57Å; Q356-R360 WeakPolarHBondContact CA-O 3.49Å; Q356-R361 HydrophobicContact CB-CG 4.08Å; Q356-R361 HydrophobicContact CG-CG 4.03Å; Q356-R361 VanDerWaalsContact OE1-CZ 3.25Å
357E65.7Low70.4Confident93 Ų9371.3 Ų71.344%0.43537%0.373SS..EExtended strand (participates in β ladder)trans-114.691.5178.4-177.3-169.6-164.100107.4R341 T359 R360 Y362R341-E357 IonicContact CZ-OE2 2.95Å; R341-E357 IonicContact NH1-OE2 2.78Å; R341-E357 PolarHBondContact NH1-OE2 2.97Å; R341-E357 IonicContact NH2-OE2 3.33Å; E357-T359 PolarHBondContact O-N 2.74Å; E357-T359 VanDerWaalsContact O-N 3.11Å; E357-R360 PolarHBondContact N-O 2.74Å; E357-R360 PolarHBondContact O-N 2.98Å; E357-Y362 HydrophobicContact CB-CE1 3.63Å; E357-Y362 VanDerWaalsContact OE2-CE1 3.31Å; E357-Y362 WeakPolarHBondContact OE2-CE1 3.41Å
358G74.2Confident70.9Confident61 Ų6171.2 Ų71.263%0.62937%0.372SS*.THydrogen-bonded Turntrans57.7-113.9-169.600000111.7Q356Q356-G358 VanDerWaalsContact CG-O 3.23Å; Q356-G358 WeakPolarHBondContact CG-O 3.36Å; Q356-G358 PolarHBondContact NE2-O 2.95Å
359T59.6Low71.4Confident121 Ų12169.4 Ų69.474%0.74236%0.36SS*.THydrogen-bonded Turntrans-85.6-13.817859.30000114K317 E357K317-T359 PolarHBondContact NZ-O 2.93Å; E357-T359 PolarHBondContact O-N 2.74Å; E357-T359 VanDerWaalsContact O-N 3.11Å
360R45.4Very low72.3Confident144 Ų14467.8 Ų67.854%0.54336%0.363SS..EExtended strand (participates in β ladder)trans-89.9125.4-175-62.2-177.9178.2-173.20109.5Q356 E357Q356-R360 CarbonylContact C-O 3.57Å; Q356-R360 WeakPolarHBondContact CA-O 3.49Å; E357-R360 PolarHBondContact N-O 2.74Å; E357-R360 PolarHBondContact O-N 2.98Å
361R65.1Low72.8Confident107 Ų10766.5 Ų66.540%0.40435%0.353SS..EExtended strand (participates in β ladder)trans-110.8135.3171.2-73.6-174.3179.8168.6-0.9108.6V354 V355 Q356V354-R361 HydrophobicContact CG1-CB 4.22Å; V355-R361 WeakPolarHBondContact O-CA 3.36Å; Q356-R361 HydrophobicContact CB-CG 4.08Å; Q356-R361 HydrophobicContact CG-CG 4.03Å; Q356-R361 VanDerWaalsContact OE1-CZ 3.25Å
362Y68.7Low72.6Confident23 Ų2368.9 Ų68.99%0.0936%0.358CS..EExtended strand (participates in β ladder)trans-157.7153.2-179.257.7-87000111.1R341 V354 V355 E357 L364R341-Y362 HydrophobicContact CB-CD2 3.71Å; R341-Y362 HydrophobicContact CB-CG 4.19Å; R341-Y362 VanDerWaalsContact CD-CD2 3.44Å; R341-Y362 HydrophobicContact CG-CD2 4.17Å; R341-Y362 HydrophobicContact CG-CG 4.37Å; V354-Y362 CarbonylContact C-O 3.56Å; V354-Y362 WeakPolarHBondContact CA-O 3.48Å; V355-Y362 HydrophobicContact CB-CD2 4.48Å; V355-Y362 HydrophobicContact CB-CE2 4.08Å; V355-Y362 HydrophobicContact CG1-CE2 4.42Å; V355-Y362 PolarHBondContact N-O 3.21Å; V355-Y362 PolarHBondContact O-N 3.09Å; E357-Y362 HydrophobicContact CB-CE1 3.63Å; E357-Y362 VanDerWaalsContact OE2-CE1 3.31Å; E357-Y362 WeakPolarHBondContact OE2-CE1 3.41Å; Y362-L364 HydrophobicContact CD2-CD2 4.02Å; Y362-L364 HydrophobicContact CD2-CG 4.11Å; Y362-L364 HydrophobicContact CE2-CD1 4.15Å; Y362-L364 HydrophobicContact CE2-CD2 3.85Å; Y362-L364 HydrophobicContact CE2-CG 3.83Å
363R74.1Confident71.9Confident43 Ų4371.2 Ų71.216%0.16238%0.382CS..EExtended strand (participates in β ladder)trans-91.4138.4176.9-153.4177.7-75-120.516.7111.3L338 C340 R341 D349 G352 Q353 V354L338-R363 VanDerWaalsContact CD1-CZ 3.46Å; C340-R363 WeakPolarHBondContact CA-O 3.42Å; R341-R363 PolarHBondContact N-O 2.86Å; D349-R363 IonicContact OD1-CZ 2.68Å; D349-R363 IonicContact OD1-NH1 3.06Å; D349-R363 PolarHBondContact OD1-NH1 2.67Å; D349-R363 IonicContact OD1-NH2 2.8Å; D349-R363 PolarHBondContact OD1-NH2 3.46Å; G352-R363 VanDerWaalsContact O-CD 3.29Å; G352-R363 WeakPolarHBondContact O-CD 3.41Å; G352-R363 PolarHBondContact O-NH1 3Å; Q353-R363 WeakPolarHBondContact O-CA 3.45Å; Q353-R363 VanDerWaalsContact O-CG 3.25Å; Q353-R363 WeakPolarHBondContact O-CG 3.34Å; V354-R363 HydrophobicContact CG2-CB 4.37Å; V354-R363 HydrophobicContact CG2-CG 4.19Å
364L78.6Confident70.9Confident2 Ų275 Ų751%0.0140%0.403CS..  trans-110.4150.9163.2-64.8-176.7000108.5R341 K342 G352 Q353 V355 Y362 C368 L369 F372R341-L364 HydrophobicContact CB-CD2 4.31Å; K342-L364 HydrophobicContact CB-CD2 3.85Å; G352-L364 CarbonylContact C-O 3.51Å; G352-L364 VanDerWaalsContact C-O 3.27Å; G352-L364 WeakPolarHBondContact CA-O 3.46Å; Q353-L364 PolarHBondContact N-O 2.88Å; Q353-L364 VanDerWaalsContact N-O 3.08Å; Q353-L364 PolarHBondContact O-N 2.94Å; V355-L364 HydrophobicContact CG2-CD1 4.05Å; V355-L364 HydrophobicContact CG2-CG 4.19Å; Y362-L364 HydrophobicContact CD2-CD2 4.02Å; Y362-L364 HydrophobicContact CD2-CG 4.11Å; Y362-L364 HydrophobicContact CE2-CD1 4.15Å; Y362-L364 HydrophobicContact CE2-CD2 3.85Å; Y362-L364 HydrophobicContact CE2-CG 3.83Å; L364-C368 HydrophobicContact CB-CB 4.45Å; L364-L369 HydrophobicContact CB-CB 4.22Å; L364-L369 HydrophobicContact CD1-CD1 4.18Å; L364-F372 HydrophobicContact CD1-CB 4.38Å; L364-F372 HydrophobicContact CD1-CD2 4.22Å; L364-F372 HydrophobicContact CD1-CG 4.27Å
365C86.3Confident69.5Low8 Ų879.1 Ų79.15%0.05442%0.423CS..  trans-76.1158.5163.2610000110C340 V347 T351 E367 C368 L369C340-C365 HydrophobicContact CB-CB 4.31Å; C340-C365 PolarHBondContact SG-N 3.27Å; C340-C365 VanDerWaalsContact SG-N 3.4Å; V347-C365 HydrophobicContact CG1-CB 4.09Å; V347-C365 HydrophobicContact CG2-CB 4.22Å; T351-C365 CarbonylContact O-C 3.59Å; T351-C365 VanDerWaalsContact O-CA 3.23Å; T351-C365 WeakPolarHBondContact O-CA 3.37Å; T351-C365 WeakPolarHBondContact O-CB 3.46Å; C365-E367 PolarHBondContact O-N 2.89Å; C365-C368 PolarHBondContact O-N 3.21Å; C365-L369 WeakPolarHBondContact O-CB 3.44Å; C365-L369 PolarHBondContact O-N 3.2Å
366N80.9Confident68Low84 Ų8481.3 Ų81.345%0.44944%0.438SS..Hα-helixtrans-56.4-36.3-175.9-60.5-7.6000112.3L350 T351 G352 L369 A370L350-N366 PolarHBondContact O-ND2 2.89Å; T351-N366 PolarHBondContact O-N 2.99Å; T351-N366 PolarHBondContact O-OD1 3.42Å; G352-N366 VanDerWaalsContact CA-OD1 3.24Å; G352-N366 WeakPolarHBondContact CA-OD1 3.46Å; G352-N366 PolarHBondContact N-OD1 3.33Å; N366-L369 PolarHBondContact O-N 3.25Å; N366-A370 PolarHBondContact O-N 2.81Å
367E82.2Confident66.6Low108 Ų10883.7 Ų83.751%0.50545%0.454SS..Hα-helixtrans-54.7-59171-56.3166.4145.500111.1R345 C365 L369 A370 E371R345-E367 IonicContact NH1-OE1 3.06Å; R345-E367 PolarHBondContact NH1-OE1 2.94Å; R345-E367 IonicContact NH1-OE2 2.84Å; R345-E367 PolarHBondContact NH1-OE2 3.29Å; C365-E367 PolarHBondContact O-N 2.89Å; E367-L369 VanDerWaalsContact C-N 3.26Å; E367-L369 PolarHBondContact O-N 3.38Å; E367-A370 PolarHBondContact O-N 3.46Å; E367-E371 WeakPolarHBondContact O-CG 3.38Å; E367-E371 PolarHBondContact O-N 3.2Å
368C81.6Confident65.7Low7 Ų783.1 Ų83.15%0.04746%0.458CS..Hα-helixtrans-71.4-16.8-177.1-71.90000114.6K342 C343 L364 C365K342-C368 HydrophobicContact CB-CB 3.99Å; K342-C368 HydrophobicContact CD-CB 3.66Å; K342-C368 HydrophobicContact CG-CB 4.38Å; C343-C368 VanDerWaalsContact SG-SG 3.64Å; L364-C368 HydrophobicContact CB-CB 4.45Å; C365-C368 PolarHBondContact O-N 3.21Å
369L80.9Confident64.2Low35 Ų3586.9 Ų86.918%0.18346%0.462CS..Hα-helixtrans-79-46.1173.6-176.970.1000110.7Q353 V355 L364 C365 N366 E367 E371 F372Q353-L369 HydrophobicContact CB-CD2 4Å; V355-L369 HydrophobicContact CG2-CD1 3.59Å; L364-L369 HydrophobicContact CB-CB 4.22Å; L364-L369 HydrophobicContact CD1-CD1 4.18Å; C365-L369 WeakPolarHBondContact O-CB 3.44Å; C365-L369 PolarHBondContact O-N 3.2Å; N366-L369 PolarHBondContact O-N 3.25Å; E367-L369 VanDerWaalsContact C-N 3.26Å; E367-L369 PolarHBondContact O-N 3.38Å; L369-E371 VanDerWaalsContact C-N 3.27Å; L369-E371 PolarHBondContact O-N 2.88Å; L369-F372 WeakPolarHBondContact O-CB 3.49Å; L369-F372 PolarHBondContact O-N 3.48Å
370A78Confident62.8Low86 Ų8687.4 Ų87.471%0.71146%0.461SS*.Hα-helixtrans-59.9-38.817500000111.9N366 E367 F372N366-A370 PolarHBondContact O-N 2.81Å; E367-A370 PolarHBondContact O-N 3.46Å; A370-F372 PolarHBondContact O-N 2.79Å
371E74.1Confident62.9Low130 Ų13088.3 Ų88.361%0.60748%0.475SS*.THydrogen-bonded Turntrans-65.4-9.7171.4-68.6177.2163.200115K342 E367 L369K342-E371 WeakPolarHBondContact CE-OE2 3.49Å; K342-E371 VanDerWaalsContact NZ-CB 3.25Å; K342-E371 IonicContact NZ-OE2 3.6Å; K342-E371 PolarHBondContact NZ-OE2 3.22Å; E367-E371 WeakPolarHBondContact O-CG 3.38Å; E367-E371 PolarHBondContact O-N 3.2Å; L369-E371 VanDerWaalsContact C-N 3.27Å; L369-E371 PolarHBondContact O-N 2.88Å
372F66.8Low61.7Low115 Ų11592.4 Ų92.450%0.50450%0.499SS..THydrogen-bonded Turntrans-96.5-10.4-173.2-143.5-94.4000113.7L364 L369 A370L364-F372 HydrophobicContact CD1-CB 4.38Å; L364-F372 HydrophobicContact CD1-CD2 4.22Å; L364-F372 HydrophobicContact CD1-CG 4.27Å; L369-F372 WeakPolarHBondContact O-CB 3.49Å; L369-F372 PolarHBondContact O-N 3.48Å; A370-F372 PolarHBondContact O-N 2.79Å
373G55.8Low60.2Low51 Ų5195.5 Ų95.553%0.52653%0.53SS..  trans82.2154.5-173.300000112.8D375G373-D375 PolarHBondContact O-N 2.9Å
374I52.5Low58.2Low169 Ų169102.5 Ų102.587%0.86756%0.564SS**SBendtrans-86.5105.6-177.8-56.5170.7000108.8
375D44.1Very low56.2Low159 Ų159110.8 Ų110.885%0.8560%0.603SS**  trans-155.777.4147.7-108.1-24.1000108.5G373G373-D375 PolarHBondContact O-N 2.9Å
376S44.4Very low53.5Low57 Ų57118.5 Ų118.540%0.39964%0.638SS.*  trans-152.287.6173.7-74.60000107.7
377L40.6Very low51Low154 Ų154121.2 Ų121.281%0.80665%0.652SS**  trans-48.6142.7167.9-70.4166.3000109.5
378P45.5Very low48.3Very low81 Ų81123.7 Ų123.753%0.52667%0.665SS.*  trans-50.3146.9162-22.834.1000110.1D380P378-D380 PolarHBondContact O-N 3.36Å; P378-D380 VanDerWaalsContact O-N 3.08Å
379I42.7Very low45.6Very low141 Ų141128.8 Ų128.872%0.72370%0.701SS**  trans-79.489.4161.1-59.9176.3000104.8L381I379-L381 PolarHBondContact O-N 3.42Å
380D30.3Very low43.9Very low132 Ų132133 Ų13371%0.70673%0.73SS**  trans-59.4125172.8-67.9-36.1000108.5P378 E382P378-D380 PolarHBondContact O-N 3.36Å; P378-D380 VanDerWaalsContact O-N 3.08Å; D380-E382 VanDerWaalsContact C-N 3.31Å
381L48.3Very low41.4Very low163 Ų163134.4 Ų134.485%0.85374%0.735SS**  trans-95.518-175.8-82.6162.1000112.3I379I379-L381 PolarHBondContact O-N 3.42Å
382E39.7Very low39.3Very low192 Ų192136 Ų13690%0.89775%0.747SS**  trans-120.343.2-168.8-61.8-165.8139.900113.6D380D380-E382 VanDerWaalsContact C-N 3.31Å
383A37.2Very low37.4Very low89 Ų89134.2 Ų134.274%0.73676%0.762SS**SBendtrans-155.9128.115000000108
384E32.8Very low36.2Very low189 Ų189138 Ų13888%0.88377%0.77SS**  cis-120.9132.114.3-60.8171.2124.200111.9
385Q35.8Very low35.2Very low177 Ų177138 Ų13883%0.82776%0.764SS**  trans-96.2162.8146.7-73.2-171.3-4.100108.3
386H28.9Very low34.4Very low169 Ų169137.4 Ų137.478%0.78276%0.761SS**  trans73.4117.5-163.9-54.1-84.9000112.9
387L28.3Very low33.8Very low142 Ų142139 Ų13974%0.74377%0.772SS**SBendcis-138.7153.9-7.5-52.492.1000106.9
388M26.7Very low33.3Very low160 Ų160142.5 Ų142.579%0.78877%0.774SS**  cis-150.116237.9-65.6-11575.800112.4
389S24.4Very low32.5Very low114 Ų114149.7 Ų149.780%0.79779%0.791SS**  trans-148.9164.9162.8-630000108
390P44.2Very low31.7Very low122 Ų122150.5 Ų150.579%0.79279%0.791SS**  cis-129.9179.32.542.5-28000114.5
391S26.2Very low31.7Very low117 Ų117151.8 Ų151.882%0.81880%0.797SS**  trans-159.3149136.1-163.50000109.5
392D29.9Very low30.6Very low162 Ų162149.5 Ų149.587%0.86680%0.795SS**  trans-77.2156.6-169.3-56.4-82.3000114.6
393G28.3Very low30.3Very low79 Ų79149 Ų14981%0.81479%0.793SS**  trans-174.546-174.400000115.9K395G393-K395 PolarHBondContact O-N 3.23Å
394D30.1Very low30.1Very low129 Ų129152.2 Ų152.269%0.6980%0.797SS**  trans-58.3119.3179.8169.547.2000114.7
395K30.2Very low30Very low170 Ų170152.9 Ų152.974%0.73980%0.8SS**  175.6157.5125.5-97.9159.4-17377.70118G393G393-K395 PolarHBondContact O-N 3.23Å
396D28.1Very low29.6Very low147 Ų147150.9 Ų150.979%0.78680%0.796SS**  trans-35.2143.2166.5-91.1-61.9000117.7
397S30.6Very low29.8Very low90 Ų90153.5 Ų153.563%0.62980%0.799SS**  -170.9124.9101.6-800000114.5W399S397-W399 PolarHBondContact O-N 3.23Å
398R30.6Very low29.7Very low228 Ų228152 Ų15286%0.8680%0.8SS**PPolyproline II helixtrans-57.3122.7158.3164.2-167.6-79.4145-6.6109.6
399W29.8Very low29.7Very low232 Ų232153.3 Ų153.388%0.87980%0.797SS**PPolyproline II helixtrans-97.3123.4166.7-79.797.8000112.3S397S397-W399 PolarHBondContact O-N 3.23Å
400H25.5Very low30.1Very low158 Ų158153.5 Ų153.573%0.73179%0.794SS**PPolyproline II helixtrans-78.7156.9179-157.2-90.9000110.2
401L29.7Very low29.1Very low159 Ų159153.8 Ų153.883%0.83279%0.785SS**PPolyproline II helixtrans-77.9128.9162-87.377.2000108.7
402S25.2Very low29.4Very low114 Ų114155.7 Ų155.780%0.79778%0.784SS**  trans-126.1138.2157.553.20000108
403E34Very low29.3Very low182 Ų182153.2 Ų153.285%0.8577%0.774SS**  trans-85.5168.9172.6-65.7178121.500109.6
404D32.1Very low29.5Very low157 Ų157158 Ų15884%0.8478%0.776SS**  trans57.1111.8175.6-59.7-32.2000118.5
405E31Very low29.4Very low202 Ų202160 Ų16094%0.94479%0.786SS**  -156174101.1-116.9-172.2167.900112.6
406N28.8Very low29.3Very low136 Ų136154.5 Ų154.573%0.72778%0.777SS**  trans-109.8156.8-164.8-170.210.5000112.2
407R31.6Very low29.6Very low224 Ų224153.4 Ų153.485%0.84578%0.781SS**  trans54.2114.1171.3-72.3174.4141.6116.5-8.1117.3
408S26.6Very low29.8Very low111 Ų111153.6 Ų153.678%0.77679%0.788SS**  -134.4137125.567.10000110.7
409Y27.5Very low29.8Very low186 Ų186150.2 Ų150.273%0.72979%0.787SS**  trans-93.1107.1175.3162.7-95.1000106.3E411Y409-E411 VanDerWaalsContact C-N 3.34Å; Y409-E411 HydrophobicContact CD1-CB 4.11Å; Y409-E411 HydrophobicContact CE1-CB 3.76Å; Y409-E411 HydrophobicContact CE1-CG 3.87Å; Y409-E411 WeakPolarHBondContact CE1-OE1 3.4Å; Y409-E411 PolarHBondContact O-N 3.32Å; Y409-E411 VanDerWaalsContact O-N 3.09Å
410V31.1Very low29.8Very low119 Ų119147 Ų14772%0.72179%0.786SS**  trans-81.392.3174.3-177.80000107.8I412V410-I412 HydrophobicContact CG1-CG1 4.4Å
411E24.6Very low30Very low128 Ų128145.5 Ų145.560%0.59879%0.788SS**  trans-57.3132.2165.5-158.3158.8-120.500109.3Y409 V413Y409-E411 VanDerWaalsContact C-N 3.34Å; Y409-E411 HydrophobicContact CD1-CB 4.11Å; Y409-E411 HydrophobicContact CE1-CB 3.76Å; Y409-E411 HydrophobicContact CE1-CG 3.87Å; Y409-E411 WeakPolarHBondContact CE1-OE1 3.4Å; Y409-E411 PolarHBondContact O-N 3.32Å; Y409-E411 VanDerWaalsContact O-N 3.09Å; E411-V413 HydrophobicContact CG-CG2 4.06Å
412I31.1Very low30.1Very low156 Ų156145.4 Ų145.480%0.879%0.787SS**  trans-123.391.4169.4-58.9179.6000105.1V410V410-I412 HydrophobicContact CG1-CG1 4.4Å
413V29.4Very low30.2Very low110 Ų110147.5 Ų147.567%0.66778%0.784SS**  trans-67.2147.5169.8-176.40000108.6E411E411-V413 HydrophobicContact CG-CG2 4.06Å
414E31.4Very low30Very low181 Ų181146.6 Ų146.685%0.84678%0.78SS**  trans-43.5150.3-173.2-56.5171.2139.100115.4
415D28.3Very low29.9Very low171 Ų171144.1 Ų144.191%0.91477%0.77SS**  trans-133.7145.7130.7-144.2-19.8000109.1
416G28.5Very low29.9Very low53 Ų53141.6 Ų141.655%0.54676%0.763SS.*  trans-100.3-179-165.700000114.9
417S35.3Very low30Very low125 Ų125141.7 Ų141.787%0.87476%0.764SS**  trans62.3111.4171.870.40000117.8
418A33.9Very low30.2Very low93 Ų93137 Ų13777%0.76977%0.765SS**  trans-170.968.3150.500000108.6L420A418-L420 PolarHBondContact O-N 3.03Å
419D30.7Very low30.7Very low158 Ų158140.8 Ų140.885%0.84577%0.771SS**  trans-66.4126.9166.8-82.1-52.4000109.4
420L30.4Very low31.2Very low163 Ų163141 Ų14185%0.85378%0.778SS**  trans-110.987.6168.8-70179000108.4A418 I422A418-L420 PolarHBondContact O-N 3.03Å; L420-I422 PolarHBondContact O-N 3.4Å
421V29.5Very low31.4Very low128 Ų128143.7 Ų143.778%0.77678%0.783SS**  trans-61.1123.6169.9176.70000108.4Q423V421-Q423 PolarHBondContact O-N 3Å
422I30.5Very low31.8Very low156 Ų156145.1 Ų145.180%0.879%0.79SS**  trans-81.698.1171-59.1175.1000106.9L420L420-I422 PolarHBondContact O-N 3.4Å
423Q27.5Very low31.9Very low158 Ų158144 Ų14474%0.73878%0.781SS**  trans-80.8122.6171-173.8160-7.200109.4V421V421-Q423 PolarHBondContact O-N 3Å
424Q29.3Very low32.2Very low164 Ų164146.7 Ų146.777%0.76678%0.783SS**  trans-74.2136.9164.7-66.3177.1-107.500108.5
425V31Very low32.4Very low104 Ų104146.2 Ų146.263%0.6378%0.781SS**  trans-123.8101.9168.8-82.50000107.7
426D31.8Very low32.7Very low150 Ų150145.1 Ų145.180%0.80277%0.774SS**  trans-94.198.5160-70-59.8000105.8
427D30.9Very low33.1Very low138 Ų138151.6 Ų151.674%0.73879%0.787SS**  trans-105.6112.5177.9-74.3-52.2000110.2
428S34.6Very low33.7Very low125 Ų125150.6 Ų150.687%0.87478%0.777SS**  trans-97.4119.7165.8-650000108.7
429E36.8Very low33.5Very low191 Ų191152.4 Ų152.489%0.89378%0.775SS**  trans-95.9116.3174-65.7-173.6147.200110.9
430E38Very low33.8Very low189 Ų189151.9 Ų151.988%0.88377%0.77SS**  trans-122.7110.5158.7-84.5-172.1165.600110
431E35.7Very low34.1Very low177 Ų177158.8 Ų158.883%0.82779%0.785SS**  trans63.8129.6142.8-60.4-159.2144.400124.5
432E33.9Very low34.3Very low158 Ų158160.4 Ų160.474%0.73879%0.785SS**  trans92.1130.2136-81.5-164.1158.800125
433E32.8Very low34.5Very low132 Ų132160.6 Ų160.662%0.61778%0.784SS**  trans35.5126147.3-51-164126.300120.9
434K36.4Very low34.9Very low166 Ų166160.7 Ų160.772%0.72279%0.787SS**  -160.1136.255.5-104.6102.6-174.4150.70114.2
435E33.9Very low35.2Very low171 Ų171160.5 Ų160.580%0.79979%0.788SS**  23.3155125.1-128.1-174.2-172.900124.3
436I35.9Very low35.5Very low149 Ų149164.1 Ų164.176%0.76480%0.798SS**  trans95.1105.7157.5-59.4159.9000119
437K35.9Very low35.8Very low188 Ų188165 Ų16582%0.81780%0.798SS**  trans-73.1179.1162-80.4174.8-178.9172.10112.5
438P47.7Very low36.1Very low104 Ų104166.9 Ų166.968%0.67580%0.802SS**  cis-136.5-163.5-19.530.8-7.7000113.8
439N29.7Very low36.2Very low132 Ų132170.2 Ų170.271%0.70680%0.797SS**  trans92112.8141.9-84.91.2000121.6
440I36.5Very low36.2Very low146 Ų146168.4 Ų168.475%0.74979%0.789SS**  49108.2120.1-54.8169.7000116.6
441R37.6Very low36Very low309 Ų309166.5 Ų166.5100%1.16678%0.78SS**  -149.7091.7-160.2165.7-172.3162.62.6112.8

Retrieved 441 of 441 residues in 87.9 ms (Link to these results)

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