A0A087WUC4_HUMAN Loading...

Alcohol dehydrogenase 1C (class I), gamma polypeptide

AlphaFold DB , UniProt , Accession A0A087WUC4, Species HUMAN (Homo sapiens, Human), Gene ADH1C, Length 170 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
1M83.8Confident94.7Very high132 Ų13242.6 Ų42.665%0.6525%0.251SS*.  0121.80-59.1173.2-14700105.7G46 V47 E121M1-G46 VanDerWaalsContact SD-O 3.36Å; M1-V47 HydrophobicContact CB-CG2 4.01Å; M1-E121 HydrophobicContact CB-CB 4.49Å; M1-E121 PolarHBondContact O-N 2.73Å
2S88.7Confident95Very high21 Ų2151.8 Ų51.815%0.14730%0.295CS..EExtended strand (participates in β ladder)trans-128.9152.6-168.1-49.10000110.8G44 V119S2-G44 PolarHBondContact O-N 2.78Å; S2-V119 CarbonylContact C-O 3.59Å; S2-V119 WeakPolarHBondContact CA-O 3.46Å; S2-V119 WeakPolarHBondContact CB-O 3.33Å
3T90.3Very high95.3Very high2 Ų248.9 Ų48.91%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-121.7131.4-180-61.60000108.7V40 V43 V50 V118 V119T3-V40 HydrophobicContact CG2-CB 4.46Å; T3-V40 HydrophobicContact CG2-CG1 3.73Å; T3-V40 HydrophobicContact CG2-CG2 4.02Å; T3-V43 HydrophobicContact CG2-CG1 4.2Å; T3-V50 HydrophobicContact CG2-CG2 3.99Å; T3-V118 WeakPolarHBondContact O-CA 3.36Å; T3-V119 PolarHBondContact N-O 3.26Å; T3-V119 PolarHBondContact O-N 3.42Å
4A92.9Very high95.5Very high18 Ų1856.9 Ų56.915%0.14930%0.303CS..EExtended strand (participates in β ladder)trans-94.4130.8170.700000109.8E41 S42 T117 V118A4-E41 PolarHBondContact O-N 3.49Å; A4-S42 PolarHBondContact N-O 3.16Å; A4-S42 PolarHBondContact O-N 2.84Å; A4-T117 CarbonylContact C-O 3.46Å; A4-T117 WeakPolarHBondContact CA-O 3.48Å; A4-V118 HydrophobicContact CB-CG2 4.16Å
5G94Very high95.7Very high6 Ų655.9 Ų55.96%0.06230%0.303CS..EExtended strand (participates in β ladder)trans-126137.4-17900000111.8I39 Y116 T117G5-I39 CarbonylContact C-O 3.46Å; G5-I39 WeakPolarHBondContact CA-O 3.44Å; G5-Y116 VanDerWaalsContact O-CA 3.3Å; G5-Y116 WeakPolarHBondContact O-CA 3.49Å; G5-T117 PolarHBondContact N-O 2.74Å; G5-T117 PolarHBondContact O-N 3.46Å
6K98.3Very high95.9Very high108 Ų10852.7 Ų52.747%0.4729%0.285SS..EExtended strand (participates in β ladder)trans-83.2117.2166.9-172.1177.2-178.8176.40109G38 I39 Q115 Y116K6-G38 CarbonylContact O-C 3.55Å; K6-G38 WeakPolarHBondContact O-CA 3.38Å; K6-I39 PolarHBondContact N-O 2.87Å; K6-I39 PolarHBondContact O-N 2.97Å; K6-Q115 WeakPolarHBondContact CA-O 3.4Å; K6-Y116 HydrophobicContact CB-CD1 3.89Å; K6-Y116 HydrophobicContact CB-CE1 3.55Å; K6-Y116 HydrophobicContact CD-CE1 4.03Å; K6-Y116 HydrophobicContact CG-CD1 4.25Å; K6-Y116 HydrophobicContact CG-CE1 3.69Å
7M98.7Very high96Very high25 Ų2553.6 Ų53.612%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-74.4136.9179.2-61.9-59.192.900110.2A36 P58 T112 S114 Q115 T117M7-A36 HydrophobicContact SD-CB 4.1Å; M7-P58 HydrophobicContact SD-CG 4.31Å; M7-T112 HydrophobicContact SD-CG2 4.26Å; M7-S114 WeakPolarHBondContact CB-O 3.4Å; M7-S114 WeakPolarHBondContact CG-O 3.32Å; M7-Q115 PolarHBondContact N-O 3.47Å; M7-T117 HydrophobicContact CE-CG2 3.8Å; M7-T117 HydrophobicContact CG-CG2 4.31Å; M7-T117 HydrophobicContact SD-CG2 3.96Å
8V98.7Very high96.1Very high79 Ų7954.1 Ų54.148%0.47929%0.287SS..EExtended strand (participates in β ladder)trans-109.7-41.1179175.30000110.7A37 I39 L133V8-A37 PolarHBondContact N-O 3.33Å; V8-I39 HydrophobicContact CG2-CD1 4.25Å; V8-I39 HydrophobicContact CG2-CG1 4.22Å; V8-L133 HydrophobicContact CB-CB 4.16Å; V8-L133 HydrophobicContact CB-CD1 3.74Å; V8-L133 HydrophobicContact CG1-CB 3.96Å; V8-L133 HydrophobicContact CG1-CD1 4.03Å; V8-L133 HydrophobicContact CG2-CD1 3.68Å
9A98.7Very high96.3Very high21 Ų2151.9 Ų51.917%0.17428%0.277CS..EExtended strand (participates in β ladder)trans-145141.7174.900000110.4A36 A37 E134 C137A9-A36 CarbonylContact O-C 3.56Å; A9-A36 VanDerWaalsContact O-CA 3.23Å; A9-A36 WeakPolarHBondContact O-CA 3.37Å; A9-A36 VanDerWaalsContact O-CB 3.31Å; A9-A36 WeakPolarHBondContact O-CB 3.34Å; A9-A37 PolarHBondContact N-O 3.41Å; A9-A37 PolarHBondContact O-N 3.01Å; A9-E134 HydrophobicContact CB-CB 4.38Å; A9-C137 HydrophobicContact CB-CB 4.31Å
10A98.7Very high96.4Very high45 Ų4555.1 Ų55.137%0.37230%0.298SS..EExtended strand (participates in β ladder)trans-135.2132.5172.800000109.4E35 A36 F113A10-E35 CarbonylContact C-O 3.59Å; A10-E35 VanDerWaalsContact CA-O 3.23Å; A10-E35 WeakPolarHBondContact CA-O 3.34Å; A10-A36 HydrophobicContact CB-CB 3.93Å; A10-F113 HydrophobicContact CB-CD1 4.18Å; A10-F113 HydrophobicContact CB-CE1 4.2Å
11G98.5Very high96.4Very high12 Ų1255.2 Ų55.212%0.12430%0.303CS..  trans-81.4156.9171.800000111.4E35 F113G11-E35 PolarHBondContact N-O 2.97Å; G11-F113 WeakPolarHBondContact O-CE1 3.35Å
12I98.7Very high97.1Very high152 Ų15251.3 Ų51.378%0.77930%0.296SS*.  trans-101.5108.8172-60.8175.2000107.4F113I12-F113 HydrophobicContact CG1-CZ 4.4Å
13C98.6Very high97.5Very high15 Ų1556.1 Ų56.110%0.10132%0.32CS..  trans-99.3150.61791730000110.4S15 D16 H34C13-S15 PolarHBondContact O-N 2.91Å; C13-S15 VanDerWaalsContact O-N 3.16Å; C13-D16 WeakPolarHBondContact CB-OD2 3.23Å; C13-D16 PolarHBondContact N-OD2 2.86Å; C13-D16 WeakPolarHBondContact O-CB 3.46Å; C13-D16 PolarHBondContact O-N 3.09Å; C13-H34 VanDerWaalsContact CB-CE1 3.48Å; C13-H34 WeakPolarHBondContact CB-CE1 3.48Å
14R98.4Very high97.8Very high160 Ų16058.3 Ų58.360%0.60433%0.331SS*.Hα-helixtrans-55.5-32.8176.517860.965.8-169.6-0.1112.2D16 E17 H18R14-D16 VanDerWaalsContact C-N 3.26Å; R14-D16 PolarHBondContact O-N 2.88Å; R14-E17 WeakPolarHBondContact CD-OE2 3.31Å; R14-E17 IonicContact CZ-OE2 3.19Å; R14-E17 IonicContact NE-OE2 2.78Å; R14-E17 IonicContact NH1-OE2 3.74Å; R14-E17 PolarHBondContact NH1-OE2 3.44Å; R14-E17 PolarHBondContact O-N 3.35Å; R14-E17 VanDerWaalsContact O-N 3.13Å; R14-H18 VanDerWaalsContact CG-NE2 3.34Å; R14-H18 WeakPolarHBondContact CG-NE2 3.37Å; R14-H18 PolarHBondContact O-N 2.99Å
15S98.3Very high98.1Very high43 Ų4363.3 Ų63.330%0.30136%0.36SS..Hα-helixtrans-64.5-27.9178.1-55.60000113.5C13C13-S15 PolarHBondContact O-N 2.91Å; C13-S15 VanDerWaalsContact O-N 3.16Å
16D98.6Very high98.2Very high4 Ų463.6 Ų63.62%0.02136%0.36CS..Hα-helixtrans-70.8-41.6172.9-56.3-67.5000110.4C13 R14 H18 V19 G33 H34 F107 F113C13-D16 WeakPolarHBondContact CB-OD2 3.23Å; C13-D16 PolarHBondContact N-OD2 2.86Å; C13-D16 WeakPolarHBondContact O-CB 3.46Å; C13-D16 PolarHBondContact O-N 3.09Å; R14-D16 VanDerWaalsContact C-N 3.26Å; R14-D16 PolarHBondContact O-N 2.88Å; D16-H18 VanDerWaalsContact C-N 3.34Å; D16-H18 PolarHBondContact O-N 2.74Å; D16-V19 WeakPolarHBondContact O-CB 3.43Å; D16-V19 PolarHBondContact O-N 3.28Å; D16-G33 WeakPolarHBondContact OD1-CA 3.43Å; D16-G33 PolarHBondContact OD1-N 2.86Å; D16-H34 IonicContact OD1-CE1 3.32Å; D16-H34 IonicContact OD1-ND1 3.26Å; D16-H34 PolarHBondContact OD1-ND1 2.82Å; D16-H34 IonicContact OD2-CE1 3.48Å; D16-H34 PolarHBondContact OD2-CE1 3.03Å; D16-H34 VanDerWaalsContact OD2-CE1 3.32Å; D16-H34 IonicContact OD2-ND1 3.58Å; D16-H34 PolarHBondContact OD2-ND1 2.93Å; D16-F107 WeakPolarHBondContact OD1-CE1 3.26Å; D16-F113 HydrophobicContact CB-CE2 4.14Å; D16-F113 HydrophobicContact CB-CZ 4.31Å
17E98.3Very high98.2Very high68 Ų6860.4 Ų60.432%0.31835%0.351SS..Hα-helixtrans-65.7-34.8175.1-175.6-83.8132.700112.2R14 V19 V20 S21R14-E17 WeakPolarHBondContact CD-OE2 3.31Å; R14-E17 IonicContact CZ-OE2 3.19Å; R14-E17 IonicContact NE-OE2 2.78Å; R14-E17 IonicContact NH1-OE2 3.74Å; R14-E17 PolarHBondContact NH1-OE2 3.44Å; R14-E17 PolarHBondContact O-N 3.35Å; R14-E17 VanDerWaalsContact O-N 3.13Å; E17-V19 PolarHBondContact O-N 2.91Å; E17-V19 VanDerWaalsContact O-N 3.15Å; E17-V20 CarbonylContact O-C 3.57Å; E17-V20 WeakPolarHBondContact O-CA 3.19Å; E17-V20 WeakPolarHBondContact O-CB 3.44Å; E17-V20 PolarHBondContact O-N 2.85Å; E17-S21 PolarHBondContact O-N 3.32Å; E17-S21 PolarHBondContact O-OG 3.16Å; E17-S21 VanDerWaalsContact O-OG 3.1Å; E17-S21 VanDerWaalsContact OE1-CB 3.24Å; E17-S21 WeakPolarHBondContact OE1-CB 3.18Å; E17-S21 PolarHBondContact OE1-OG 2.77Å
18H98.5Very high98.2Very high62 Ų6264.8 Ų64.829%0.28737%0.374SS..Hα-helixtrans-57.2-28.6173.3-70.5169.7000113.3R14 D16 S21 G22 N23 L24R14-H18 VanDerWaalsContact CG-NE2 3.34Å; R14-H18 WeakPolarHBondContact CG-NE2 3.37Å; R14-H18 PolarHBondContact O-N 2.99Å; D16-H18 VanDerWaalsContact C-N 3.34Å; D16-H18 PolarHBondContact O-N 2.74Å; H18-S21 WeakPolarHBondContact CA-OG 3.21Å; H18-G22 CarbonylContact O-C 3.52Å; H18-G22 PolarHBondContact O-N 3.2Å; H18-G22 VanDerWaalsContact O-N 3.09Å; H18-N23 HydrophobicContact CB-CB 3.95Å; H18-N23 PolarHBondContact O-N 3.05Å; H18-L24 HydrophobicContact CB-CB 3.75Å; H18-L24 PolarHBondContact O-N 3.24Å
19V98.4Very high98.2Very high14 Ų1464.5 Ų64.59%0.08537%0.374CS..Hα-helixtrans-69.2-40.2172-178.90000111D16 E17 G22 L24 T26 L28 L32 F107D16-V19 WeakPolarHBondContact O-CB 3.43Å; D16-V19 PolarHBondContact O-N 3.28Å; E17-V19 PolarHBondContact O-N 2.91Å; E17-V19 VanDerWaalsContact O-N 3.15Å; V19-G22 PolarHBondContact O-N 3.48Å; V19-L24 WeakPolarHBondContact CA-O 3.4Å; V19-L24 HydrophobicContact CG2-CB 4.18Å; V19-L24 HydrophobicContact CG2-CD2 3.72Å; V19-L24 HydrophobicContact CG2-CG 4.42Å; V19-T26 HydrophobicContact CG1-CG2 3.62Å; V19-T26 HydrophobicContact CG2-CG2 4.03Å; V19-L28 HydrophobicContact CG1-CD2 4.22Å; V19-L32 HydrophobicContact CB-CD1 4.29Å; V19-L32 HydrophobicContact CB-CD2 3.84Å; V19-L32 HydrophobicContact CG1-CD2 3.78Å; V19-L32 HydrophobicContact CG2-CD2 3.9Å; V19-F107 HydrophobicContact CG2-CD2 4.47Å; V19-F107 HydrophobicContact CG2-CE2 3.68Å; V19-F107 HydrophobicContact CG2-CZ 3.9Å
20V98.3Very high98.2Very high115 Ų11564.9 Ų64.970%0.69737%0.374SS*.Hα-helixtrans-65.9-42.8178.7-177.30000111.3E17 G22 L32E17-V20 CarbonylContact O-C 3.57Å; E17-V20 WeakPolarHBondContact O-CA 3.19Å; E17-V20 WeakPolarHBondContact O-CB 3.44Å; E17-V20 PolarHBondContact O-N 2.85Å; V20-G22 VanDerWaalsContact C-N 3.3Å; V20-G22 PolarHBondContact O-N 2.86Å; V20-L32 HydrophobicContact CG2-CD1 4.04Å
21S98.2Very high98.2Very high58 Ų5864.4 Ų64.441%0.40637%0.365SS..Hα-helixtrans-79.4-8.2177.142.70000114.5E17 H18 N23E17-S21 PolarHBondContact O-N 3.32Å; E17-S21 PolarHBondContact O-OG 3.16Å; E17-S21 VanDerWaalsContact O-OG 3.1Å; E17-S21 VanDerWaalsContact OE1-CB 3.24Å; E17-S21 WeakPolarHBondContact OE1-CB 3.18Å; E17-S21 PolarHBondContact OE1-OG 2.77Å; H18-S21 WeakPolarHBondContact CA-OG 3.21Å; S21-N23 VanDerWaalsContact C-N 3.31Å; S21-N23 PolarHBondContact OG-ND2 2.76Å
22G97.2Very high98.2Very high49 Ų4965.1 Ų65.151%0.50537%0.366SS..THydrogen-bonded Turntrans80.76.7-178.100000114.7H18 V19 V20 L24H18-G22 CarbonylContact O-C 3.52Å; H18-G22 PolarHBondContact O-N 3.2Å; H18-G22 VanDerWaalsContact O-N 3.09Å; V19-G22 PolarHBondContact O-N 3.48Å; V20-G22 VanDerWaalsContact C-N 3.3Å; V20-G22 PolarHBondContact O-N 2.86Å; G22-L24 VanDerWaalsContact C-N 3.28Å
23N97.3Very high98.2Very high122 Ų12257.9 Ų57.965%0.65233%0.329SS*.SBendtrans-71.2-22.5173.5-72-32.9000112.7H18 S21H18-N23 HydrophobicContact CB-CB 3.95Å; H18-N23 PolarHBondContact O-N 3.05Å; S21-N23 VanDerWaalsContact C-N 3.31Å; S21-N23 PolarHBondContact OG-ND2 2.76Å
24L97.5Very high98.3Very high48 Ų4857.6 Ų57.625%0.25133%0.326SS..SBendtrans-123.2115171.8-168156.7000109.1H18 V19 G22 F107H18-L24 HydrophobicContact CB-CB 3.75Å; H18-L24 PolarHBondContact O-N 3.24Å; V19-L24 WeakPolarHBondContact CA-O 3.4Å; V19-L24 HydrophobicContact CG2-CB 4.18Å; V19-L24 HydrophobicContact CG2-CD2 3.72Å; V19-L24 HydrophobicContact CG2-CG 4.42Å; G22-L24 VanDerWaalsContact C-N 3.28Å; L24-F107 HydrophobicContact CD2-CE2 4.01Å
25V97.4Very high98.3Very high124 Ų12450.6 Ų50.675%0.75230%0.3SS*.  trans-88.3123.1-179-178.10000110.2
26T97.9Very high98.3Very high11 Ų1148.5 Ų48.57%0.06729%0.285CS..  trans-140.8154.8170.3-174.90000108.6V19 L28 F107V19-T26 HydrophobicContact CG1-CG2 3.62Å; V19-T26 HydrophobicContact CG2-CG2 4.03Å; T26-L28 PolarHBondContact O-N 2.78Å; T26-F107 HydrophobicContact CG2-CD2 4.11Å; T26-F107 HydrophobicContact CG2-CE2 4.27Å
27P98.3Very high98.3Very high41 Ų4148.3 Ų48.327%0.26628%0.284SS..  trans-57.6135.8176.6-29.539000113.3H105P27-H105 WeakPolarHBondContact CB-CE1 3.27Å; P27-H105 WeakPolarHBondContact CB-ND1 3.33Å
28L98.4Very high98.3Very high118 Ų11845.1 Ų45.162%0.61827%0.269SS*.SBendtrans-114.6152.9178.1-59.3-179.3000110.5V19 T26 V30V19-L28 HydrophobicContact CG1-CD2 4.22Å; T26-L28 PolarHBondContact O-N 2.78Å; L28-V30 HydrophobicContact CD2-CB 4.11Å; L28-V30 HydrophobicContact CD2-CG1 3.44Å; L28-V30 VanDerWaalsContact CD2-CG1 3.44Å
29P98.5Very high98.4Very high73 Ų7345 Ų4547%0.47427%0.27SS..SBendcis-74.1151.2-1.732.5-36.9000112.3I104 H105P29-I104 HydrophobicContact CB-CD1 4.03Å; P29-I104 HydrophobicContact CG-CD1 3.59Å; P29-H105 WeakPolarHBondContact O-CB 3.44Å; P29-H105 PolarHBondContact O-CD2 3.41Å; P29-H105 VanDerWaalsContact O-CD2 3.32Å; P29-H105 PolarHBondContact O-N 2.95Å
30V98.8Very high98.4Very high28 Ų2844.6 Ų44.617%0.1727%0.268CS..BIsolated β-bridgetrans-140.1149.2-17070.10000112.2L28 L32 H105 F107L28-V30 HydrophobicContact CD2-CB 4.11Å; L28-V30 HydrophobicContact CD2-CG1 3.44Å; L28-V30 VanDerWaalsContact CD2-CG1 3.44Å; V30-L32 HydrophobicContact CG1-CD2 3.54Å; V30-L32 HydrophobicContact CG1-CG 4.01Å; V30-L32 HydrophobicContact CG2-CD2 4.42Å; V30-H105 HydrophobicContact CB-CB 4.19Å; V30-H105 HydrophobicContact CG2-CB 4.05Å; V30-F107 HydrophobicContact CG2-CB 3.84Å
31I98.8Very high98.4Very high36 Ų3644 Ų4419%0.18526%0.257CS..  trans-94113.5162.5-59.7-175.9000108.2F97 I104 H105 F107 S111 F113I31-F97 HydrophobicContact CD1-CB 3.99Å; I31-F97 HydrophobicContact CD1-CD1 3.61Å; I31-F97 HydrophobicContact CD1-CD2 3.86Å; I31-F97 HydrophobicContact CD1-CE1 3.96Å; I31-F97 HydrophobicContact CD1-CE2 4.17Å; I31-F97 HydrophobicContact CD1-CG 3.54Å; I31-F97 HydrophobicContact CD1-CZ 4.21Å; I31-F97 HydrophobicContact CG1-CD2 4.43Å; I31-F97 HydrophobicContact CG1-CG 4.47Å; I31-I104 HydrophobicContact CG1-CG2 3.82Å; I31-H105 PolarHBondContact N-O 2.65Å; I31-F107 WeakPolarHBondContact O-CB 3.3Å; I31-S111 WeakPolarHBondContact O-CB 3.34Å; I31-S111 PolarHBondContact O-OG 2.93Å; I31-F113 HydrophobicContact CG2-CB 4.41Å
32L98.8Very high98.4Very high27 Ų2743.5 Ų43.514%0.14125%0.254CS..  trans-78.7-169.7-179.6-62.3179000112.7V19 V20 V30 F107 S111 T112 F113V19-L32 HydrophobicContact CB-CD1 4.29Å; V19-L32 HydrophobicContact CB-CD2 3.84Å; V19-L32 HydrophobicContact CG1-CD2 3.78Å; V19-L32 HydrophobicContact CG2-CD2 3.9Å; V20-L32 HydrophobicContact CG2-CD1 4.04Å; V30-L32 HydrophobicContact CG1-CD2 3.54Å; V30-L32 HydrophobicContact CG1-CG 4.01Å; V30-L32 HydrophobicContact CG2-CD2 4.42Å; L32-F107 HydrophobicContact CD2-CB 4.43Å; L32-F107 HydrophobicContact CD2-CD1 4.21Å; L32-F107 HydrophobicContact CD2-CD2 4.14Å; L32-F107 HydrophobicContact CD2-CE2 4.47Å; L32-F107 HydrophobicContact CD2-CG 4Å; L32-S111 CarbonylContact O-C 3.59Å; L32-T112 PolarHBondContact O-N 2.85Å; L32-T112 VanDerWaalsContact O-N 3.16Å; L32-F113 HydrophobicContact CB-CD2 3.71Å; L32-F113 HydrophobicContact CB-CE2 3.98Å; L32-F113 WeakPolarHBondContact O-CB 3.31Å; L32-F113 WeakPolarHBondContact O-CG 3.16Å; L32-F113 PolarHBondContact O-N 2.92Å
33G98.8Very high98.5Very high0 Ų043.6 Ų43.60%025%0.245CC..  trans90.9128.8178.400000111.2D16 T112 F113D16-G33 WeakPolarHBondContact OD1-CA 3.43Å; D16-G33 PolarHBondContact OD1-N 2.86Å; G33-T112 VanDerWaalsContact CA-OG1 3.31Å; G33-T112 WeakPolarHBondContact CA-OG1 3.36Å; G33-T112 PolarHBondContact O-N 2.89Å; G33-T112 PolarHBondContact O-OG1 3.32Å; G33-T112 VanDerWaalsContact O-OG1 3.05Å; G33-F113 VanDerWaalsContact CA-CE1 3.46Å
34H98.8Very high98.5Very high8 Ų839.4 Ų39.44%0.03723%0.23CC..  trans-141.40.5179.365.5-74.5000114.8C13 D16 F60 F107 V108 V110 T112 C141C13-H34 VanDerWaalsContact CB-CE1 3.48Å; C13-H34 WeakPolarHBondContact CB-CE1 3.48Å; D16-H34 IonicContact OD1-CE1 3.32Å; D16-H34 IonicContact OD1-ND1 3.26Å; D16-H34 PolarHBondContact OD1-ND1 2.82Å; D16-H34 IonicContact OD2-CE1 3.48Å; D16-H34 PolarHBondContact OD2-CE1 3.03Å; D16-H34 VanDerWaalsContact OD2-CE1 3.32Å; D16-H34 IonicContact OD2-ND1 3.58Å; D16-H34 PolarHBondContact OD2-ND1 2.93Å; H34-F60 HydrophobicContact CB-CB 4.16Å; H34-F60 AromaticContact CD2-CD1 4Å; H34-F107 HydrophobicContact CB-CD1 4.35Å; H34-F107 HydrophobicContact CB-CE1 4.23Å; H34-F107 AromaticContact ND1-CE1 3.72Å; H34-V108 HydrophobicContact CB-CG2 3.7Å; H34-V110 HydrophobicContact CB-CG2 3.65Å; H34-T112 PolarHBondContact N-OG1 2.93Å; H34-C141 PolarHBondContact NE2-SG 3.19Å; H34-C141 VanDerWaalsContact NE2-SG 3.35Å
35E98.8Very high98.5Very high13 Ų1346.1 Ų46.16%0.06126%0.26CS..  trans-115.697.3178.4-176.2177.59800108.6A10 G11 C137 L138 C141 G142A10-E35 CarbonylContact C-O 3.59Å; A10-E35 VanDerWaalsContact CA-O 3.23Å; A10-E35 WeakPolarHBondContact CA-O 3.34Å; G11-E35 PolarHBondContact N-O 2.97Å; E35-C137 VanDerWaalsContact CG-O 3.26Å; E35-C137 WeakPolarHBondContact CG-O 3.42Å; E35-L138 WeakPolarHBondContact OE1-CD2 3.33Å; E35-C141 HydrophobicContact CB-CB 3.88Å; E35-C141 HydrophobicContact CG-CB 3.98Å; E35-C141 WeakPolarHBondContact OE2-CB 3.41Å; E35-G142 PolarHBondContact OE2-N 2.97Å
36A98.9Very high98.4Very high0 Ų042.4 Ų42.40%025%0.247CC..EExtended strand (participates in β ladder)trans-153.5167.6-174.200000113.3M7 A9 A10 P58 T112M7-A36 HydrophobicContact SD-CB 4.1Å; A9-A36 CarbonylContact O-C 3.56Å; A9-A36 VanDerWaalsContact O-CA 3.23Å; A9-A36 WeakPolarHBondContact O-CA 3.37Å; A9-A36 VanDerWaalsContact O-CB 3.31Å; A9-A36 WeakPolarHBondContact O-CB 3.34Å; A10-A36 HydrophobicContact CB-CB 3.93Å; A36-P58 WeakPolarHBondContact O-CD 3.4Å; A36-T112 VanDerWaalsContact CB-CB 3.45Å; A36-T112 HydrophobicContact CB-CG2 3.54Å
37A98.9Very high98.5Very high0 Ų042.9 Ų42.90%025%0.25CS..EExtended strand (participates in β ladder)trans-139.7150.5165.500000110.6V8 A9 V56 I57 L133 V136 C137V8-A37 PolarHBondContact N-O 3.33Å; A9-A37 PolarHBondContact N-O 3.41Å; A9-A37 PolarHBondContact O-N 3.01Å; A37-V56 WeakPolarHBondContact CA-O 3.49Å; A37-I57 HydrophobicContact CB-CG1 4.01Å; A37-L133 HydrophobicContact CB-CB 4.2Å; A37-L133 HydrophobicContact CB-CD2 3.83Å; A37-V136 HydrophobicContact CB-CG2 4.35Å; A37-C137 HydrophobicContact CB-CB 4.06Å
38G98.8Very high98.4Very high0 Ų046.8 Ų46.80%027%0.273CS..EExtended strand (participates in β ladder)trans-157.4-168.4-173.600000113.3K6 K55 V56K6-G38 CarbonylContact O-C 3.55Å; K6-G38 WeakPolarHBondContact O-CA 3.38Å; G38-K55 WeakPolarHBondContact O-CA 3.46Å; G38-V56 PolarHBondContact N-O 2.99Å; G38-V56 PolarHBondContact O-N 3.06Å
39I98.9Very high98.4Very high61 Ų6145 Ų4531%0.31327%0.267SS..EExtended strand (participates in β ladder)trans-125.7134179.4-58.2173.2000107.8G5 K6 V8 E41 D54 K55 L133G5-I39 CarbonylContact C-O 3.46Å; G5-I39 WeakPolarHBondContact CA-O 3.44Å; K6-I39 PolarHBondContact N-O 2.87Å; K6-I39 PolarHBondContact O-N 2.97Å; V8-I39 HydrophobicContact CG2-CD1 4.25Å; V8-I39 HydrophobicContact CG2-CG1 4.22Å; I39-E41 PolarHBondContact O-N 3.32Å; I39-D54 WeakPolarHBondContact CA-O 3.27Å; I39-K55 HydrophobicContact CG1-CG 4.33Å; I39-L133 HydrophobicContact CD1-CD1 4.4Å; I39-L133 HydrophobicContact CG1-CD1 3.92Å
40V98.9Very high98.4Very high4 Ų442 Ų422%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-62.7124.9175.6179.50000109.3T3 V43 V50 K51 G53 D54 V56T3-V40 HydrophobicContact CG2-CB 4.46Å; T3-V40 HydrophobicContact CG2-CG1 3.73Å; T3-V40 HydrophobicContact CG2-CG2 4.02Å; V40-V43 HydrophobicContact CG1-CG1 3.75Å; V40-V50 HydrophobicContact CG2-CB 4.2Å; V40-V50 HydrophobicContact CG2-CG2 4.41Å; V40-K51 WeakPolarHBondContact CB-O 3.43Å; V40-G53 PolarHBondContact O-N 2.61Å; V40-D54 HydrophobicContact CG2-CB 4.34Å; V40-D54 PolarHBondContact N-O 2.86Å; V40-V56 HydrophobicContact CG2-CB 4.38Å; V40-V56 HydrophobicContact CG2-CG1 3.49Å; V40-V56 VanDerWaalsContact CG2-CG1 3.49Å; V40-V56 HydrophobicContact CG2-CG2 3.94Å
41E98.7Very high98.4Very high102 Ų10245.9 Ų45.948%0.47726%0.262SS..EExtended strand (participates in β ladder)trans-90.3-51.6175.4-175.3-78.615200109.7A4 I39 Y116A4-E41 PolarHBondContact O-N 3.49Å; I39-E41 PolarHBondContact O-N 3.32Å; E41-Y116 HydrophobicContact CB-CD1 4.49Å; E41-Y116 HydrophobicContact CB-CE1 4.34Å; E41-Y116 HydrophobicContact CG-CD1 4.45Å; E41-Y116 HydrophobicContact CG-CE1 4Å
42S98.6Very high98.4Very high48 Ų4847.8 Ų47.834%0.33628%0.277SS..EExtended strand (participates in β ladder)trans-149.3160.617858.50000111.7A4A4-S42 PolarHBondContact N-O 3.16Å; A4-S42 PolarHBondContact O-N 2.84Å
43V98.7Very high98.4Very high52 Ų5249 Ų4932%0.31530%0.296SS..EExtended strand (participates in β ladder)trans-125.2141.2178.1-620000110.1T3 V40 V47 V50T3-V43 HydrophobicContact CG2-CG1 4.2Å; V40-V43 HydrophobicContact CG1-CG1 3.75Å; V43-V47 HydrophobicContact CB-CB 3.92Å; V43-V47 HydrophobicContact CB-CG1 3.89Å; V43-V47 HydrophobicContact CB-CG2 4.28Å; V43-V47 HydrophobicContact CG1-CB 4.49Å; V43-V47 HydrophobicContact CG1-CG1 3.9Å; V43-V47 HydrophobicContact CG2-CB 4.48Å; V43-V50 HydrophobicContact CG1-CG2 4.06Å
44G97.3Very high98.4Very high34 Ų3449.9 Ų49.935%0.35130%0.301SS..  trans-75.4170.1173.300000112.7S2 G46 V47S2-G44 PolarHBondContact O-N 2.78Å; G44-G46 PolarHBondContact O-N 2.92Å; G44-V47 WeakPolarHBondContact O-CB 3.19Å; G44-V47 WeakPolarHBondContact O-CG2 3.32Å; G44-V47 PolarHBondContact O-N 3.36Å
45E97.3Very high98.4Very high189 Ų18951.9 Ų51.988%0.88331%0.309SS*.THydrogen-bonded Turntrans-56.1137.2176.1-170.4179.8176.600111.8V47E45-V47 VanDerWaalsContact C-N 3.3Å; E45-V47 PolarHBondContact O-N 2.73Å
46G96.4Very high98.5Very high46 Ų4651.4 Ų51.447%0.47431%0.307SS..THydrogen-bonded Turntrans82-4.9177.700000115.7M1 G44M1-G46 VanDerWaalsContact SD-O 3.36Å; G44-G46 PolarHBondContact O-N 2.92Å
47V98.2Very high98.5Very high21 Ų2151.8 Ų51.813%0.12731%0.31CS..  trans-68133.1173174.70000110M1 V43 G44 E45 V50 E121M1-V47 HydrophobicContact CB-CG2 4.01Å; V43-V47 HydrophobicContact CB-CB 3.92Å; V43-V47 HydrophobicContact CB-CG1 3.89Å; V43-V47 HydrophobicContact CB-CG2 4.28Å; V43-V47 HydrophobicContact CG1-CB 4.49Å; V43-V47 HydrophobicContact CG1-CG1 3.9Å; V43-V47 HydrophobicContact CG2-CB 4.48Å; G44-V47 WeakPolarHBondContact O-CB 3.19Å; G44-V47 WeakPolarHBondContact O-CG2 3.32Å; G44-V47 PolarHBondContact O-N 3.36Å; E45-V47 VanDerWaalsContact C-N 3.3Å; E45-V47 PolarHBondContact O-N 2.73Å; V47-V50 HydrophobicContact CG1-CG2 3.74Å; V47-E121 WeakPolarHBondContact CA-OE1 3.32Å; V47-E121 HydrophobicContact CG1-CG 4.17Å; V47-E121 HydrophobicContact CG2-CB 4.43Å
48T98Very high98.5Very high123 Ų12352 Ų5276%0.75531%0.31SS*.  trans-132.7-17.9-175.456.20000113.8E121T48-E121 PolarHBondContact N-OE1 2.93Å; T48-E121 PolarHBondContact OG1-OE1 3.48Å
49T98.4Very high98.4Very high79 Ų7954.2 Ų54.249%0.48532%0.322SS..SBendtrans-87.4-17.6-173.961.50000114.4E121T49-E121 HydrophobicContact CG2-CG 4.38Å; T49-E121 WeakPolarHBondContact CG2-OE1 3.29Å; T49-E121 PolarHBondContact N-OE1 3.02Å; T49-E121 VanDerWaalsContact OG1-CG 3.23Å; T49-E121 WeakPolarHBondContact OG1-CG 3.45Å; T49-E121 PolarHBondContact OG1-OE1 2.72Å
50V98.7Very high98.4Very high10 Ų1053.2 Ų53.26%0.06132%0.316CS..  trans-142.7160.5-177.8-64.70000110.6T3 V40 V43 V47 V56 V124 K126T3-V50 HydrophobicContact CG2-CG2 3.99Å; V40-V50 HydrophobicContact CG2-CB 4.2Å; V40-V50 HydrophobicContact CG2-CG2 4.41Å; V43-V50 HydrophobicContact CG1-CG2 4.06Å; V47-V50 HydrophobicContact CG1-CG2 3.74Å; V50-V56 HydrophobicContact CG1-CG1 4.03Å; V50-V124 HydrophobicContact CG1-CG1 4.4Å; V50-V124 HydrophobicContact CG2-CG1 4.39Å; V50-K126 HydrophobicContact CG1-CB 4.17Å
51K98.6Very high98.4Very high111 Ų11154.5 Ų54.548%0.48332%0.324SS..  trans-143162.9174.370.4-178.5-172.8-57.70111.3V40 G53 D54V40-K51 WeakPolarHBondContact CB-O 3.43Å; K51-G53 PolarHBondContact O-N 2.92Å; K51-D54 PolarHBondContact N-OD2 3.14Å; K51-D54 IonicContact NZ-OD1 2.74Å; K51-D54 PolarHBondContact NZ-OD1 2.7Å; K51-D54 IonicContact NZ-OD2 3.53Å; K51-D54 WeakPolarHBondContact O-CB 3.34Å; K51-D54 PolarHBondContact O-N 3.5Å; K51-D54 VanDerWaalsContact O-N 3.09Å
52P98.8Very high98.4Very high75 Ų7550.1 Ų50.149%0.48730%0.304SS..THydrogen-bonded Turntrans-48136.6174.5-29.537.2000113.2D54P52-D54 VanDerWaalsContact C-N 3.31Å; P52-D54 PolarHBondContact O-N 3.08Å
53G98.7Very high98.4Very high54 Ų5454.6 Ų54.656%0.55732%0.32SS*.THydrogen-bonded Turntrans84.9-12.5-177.400000115.4V40 K51V40-G53 PolarHBondContact O-N 2.61Å; K51-G53 PolarHBondContact O-N 2.92Å
54D98.9Very high98.4Very high18 Ų1853.4 Ų53.410%0.09631%0.313CS..  trans-66.8136.1173.7-77.3-13.7000110.5I39 V40 K51 P52 K126I39-D54 WeakPolarHBondContact CA-O 3.27Å; V40-D54 HydrophobicContact CG2-CB 4.34Å; V40-D54 PolarHBondContact N-O 2.86Å; K51-D54 PolarHBondContact N-OD2 3.14Å; K51-D54 IonicContact NZ-OD1 2.74Å; K51-D54 PolarHBondContact NZ-OD1 2.7Å; K51-D54 IonicContact NZ-OD2 3.53Å; K51-D54 WeakPolarHBondContact O-CB 3.34Å; K51-D54 PolarHBondContact O-N 3.5Å; K51-D54 VanDerWaalsContact O-N 3.09Å; P52-D54 VanDerWaalsContact C-N 3.31Å; P52-D54 PolarHBondContact O-N 3.08Å; D54-K126 HydrophobicContact CB-CD 4.5Å; D54-K126 HydrophobicContact CB-CG 4.41Å; D54-K126 IonicContact OD1-NZ 3.01Å; D54-K126 PolarHBondContact OD1-NZ 3.37Å; D54-K126 WeakPolarHBondContact OD2-CD 3.2Å; D54-K126 WeakPolarHBondContact OD2-CE 3.49Å; D54-K126 IonicContact OD2-NZ 2.86Å; D54-K126 PolarHBondContact OD2-NZ 3.16Å
55K98.9Very high98.4Very high49 Ų4954 Ų5421%0.21332%0.319CS..EExtended strand (participates in β ladder)trans-73136.9167.5-75.4-175.9176.7170.40109.5G38 I39 I127 A129 S131 L133G38-K55 WeakPolarHBondContact O-CA 3.46Å; I39-K55 HydrophobicContact CG1-CG 4.33Å; K55-I127 HydrophobicContact CB-CD1 4.14Å; K55-I127 HydrophobicContact CB-CG1 3.7Å; K55-I127 WeakPolarHBondContact O-CG1 3.33Å; K55-I127 PolarHBondContact O-N 3.44Å; K55-A129 VanDerWaalsContact CD-O 3.31Å; K55-A129 WeakPolarHBondContact CD-O 3.46Å; K55-A129 WeakPolarHBondContact CE-O 3.46Å; K55-A129 PolarHBondContact NZ-O 3.36Å; K55-S131 PolarHBondContact NZ-O 3.19Å; K55-L133 HydrophobicContact CB-CD2 4.12Å; K55-L133 HydrophobicContact CD-CD1 4.27Å; K55-L133 HydrophobicContact CD-CD2 3.75Å; K55-L133 HydrophobicContact CD-CG 4.02Å; K55-L133 HydrophobicContact CG-CD1 4.19Å; K55-L133 HydrophobicContact CG-CD2 4.02Å; K55-L133 HydrophobicContact CG-CG 4.4Å
56V98.9Very high98.4Very high3 Ų353.2 Ų53.22%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-142.6155.4-173.3-69.60000113.2A37 G38 V40 V50 V124 A125A37-V56 WeakPolarHBondContact CA-O 3.49Å; G38-V56 PolarHBondContact N-O 2.99Å; G38-V56 PolarHBondContact O-N 3.06Å; V40-V56 HydrophobicContact CG2-CB 4.38Å; V40-V56 HydrophobicContact CG2-CG1 3.49Å; V40-V56 VanDerWaalsContact CG2-CG1 3.49Å; V40-V56 HydrophobicContact CG2-CG2 3.94Å; V50-V56 HydrophobicContact CG1-CG1 4.03Å; V56-V124 HydrophobicContact CB-CG2 3.55Å; V56-V124 HydrophobicContact CG1-CG2 3.74Å; V56-V124 HydrophobicContact CG2-CG2 4Å; V56-A125 CarbonylContact C-O 3.55Å; V56-A125 WeakPolarHBondContact CA-O 3.49Å; V56-A125 WeakPolarHBondContact CB-O 3.19Å
57I98.9Very high98.5Very high9 Ų952 Ų525%0.04630%0.297CS..EExtended strand (participates in β ladder)trans-117.4123.5166.6-68.6177000108.2A37 A125 I127 V136 I139A37-I57 HydrophobicContact CB-CG1 4.01Å; I57-A125 PolarHBondContact N-O 2.95Å; I57-A125 PolarHBondContact O-N 3.46Å; I57-I127 HydrophobicContact CB-CG2 4.44Å; I57-I127 HydrophobicContact CD1-CD1 4.3Å; I57-I127 HydrophobicContact CD1-CG2 3.97Å; I57-I127 HydrophobicContact CG1-CD1 4.13Å; I57-I127 HydrophobicContact CG1-CG2 4.02Å; I57-V136 WeakPolarHBondContact CD1-O 3.38Å; I57-I139 HydrophobicContact CD1-CB 4.03Å; I57-I139 HydrophobicContact CD1-CG2 4.27Å
58P98.8Very high98.5Very high3 Ų360.1 Ų60.12%0.01933%0.325CS..EExtended strand (participates in β ladder)trans-64.7144.6168.9-20.133.7000111.6M7 A36 V110 T112 A123M7-P58 HydrophobicContact SD-CG 4.31Å; A36-P58 WeakPolarHBondContact O-CD 3.4Å; P58-V110 HydrophobicContact CB-CB 3.91Å; P58-V110 HydrophobicContact CB-CG1 3.62Å; P58-T112 HydrophobicContact CB-CG2 4.39Å; P58-T112 HydrophobicContact CG-CG2 4.1Å; P58-A123 CarbonylContact C-O 3.57Å; P58-A123 WeakPolarHBondContact CA-O 3.41Å
59L98.8Very high98.5Very high47 Ų4755.7 Ų55.725%0.24630%0.297CS..  trans-114103.6-176.2-50175.5000110.1T61 A123 A125L59-T61 PolarHBondContact O-N 3.23Å; L59-A123 PolarHBondContact N-O 3.38Å; L59-A125 HydrophobicContact CD1-CB 4.18Å; L59-A125 HydrophobicContact CD2-CB 4.06Å; L59-A125 HydrophobicContact CG-CB 4.36Å
60F98.3Very high98.5Very high41 Ų4153.5 Ų53.518%0.1828%0.284CS..SBendtrans-64.8-23.1175.774.5-95.9000112.6H34 L83 V108 V110 G140 C141H34-F60 HydrophobicContact CB-CB 4.16Å; H34-F60 AromaticContact CD2-CD1 4Å; F60-L83 HydrophobicContact CD2-CD1 3.87Å; F60-L83 HydrophobicContact CE2-CD1 4Å; F60-V108 HydrophobicContact CB-CB 4.22Å; F60-V108 HydrophobicContact CB-CG2 3.65Å; F60-V110 HydrophobicContact CB-CG2 4.43Å; F60-G140 WeakPolarHBondContact CD1-O 3.2Å; F60-G140 VanDerWaalsContact CE1-O 3.31Å; F60-G140 WeakPolarHBondContact CE1-O 3.3Å; F60-C141 HydrophobicContact CD1-CB 4.43Å; F60-C141 HydrophobicContact CE1-CB 3.98Å
61T98.4Very high98.5Very high31 Ų3160.4 Ų60.419%0.1931%0.313CS..SBendtrans-105.6103.3164.9-58.80000108.5L59 N76L59-T61 PolarHBondContact O-N 3.23Å; T61-N76 VanDerWaalsContact CG2-O 3.22Å; T61-N76 WeakPolarHBondContact CG2-O 3.43Å
62P98.4Very high98.5Very high10 Ų1058.7 Ų58.77%0.06531%0.31CS..  trans-70.3163.5-176.728.7-35.1000111.7C78 K80 N81 N122 A123P62-C78 HydrophobicContact CG-CB 4.38Å; P62-C78 WeakPolarHBondContact O-CB 3.37Å; P62-K80 HydrophobicContact CG-CB 4.16Å; P62-N81 HydrophobicContact CG-CB 4.49Å; P62-N122 CarbonylContact C-O 3.54Å; P62-N122 VanDerWaalsContact CA-O 3.27Å; P62-N122 WeakPolarHBondContact CA-O 3.32Å; P62-N122 WeakPolarHBondContact CB-O 3.35Å; P62-A123 HydrophobicContact CB-CB 4.26Å
63Q98.6Very high98.4Very high142 Ų14260.4 Ų60.466%0.66432%0.321SS*.  trans-13090.3173.5-172.1173.7-12.600110.7G65 N122Q63-G65 VanDerWaalsContact C-N 3.31Å; Q63-G65 PolarHBondContact O-N 3.25Å; Q63-N122 PolarHBondContact N-O 3.3Å
64C98.1Very high98.3Very high27 Ų2763.4 Ų63.418%0.18232%0.32CS..  trans-76.3-12-175.177.70000115.1K66 C67 K80C64-K66 WeakPolarHBondContact O-CG 3.32Å; C64-K66 PolarHBondContact O-N 3.02Å; C64-K66 PolarHBondContact SG-N 2.93Å; C64-C67 PolarHBondContact SG-N 3.23Å; C64-C67 VanDerWaalsContact SG-N 3.42Å; C64-K80 HydrophobicContact CB-CG 4.12Å
65G97.7Very high98.1Very high46 Ų4664.8 Ų64.847%0.47433%0.331SS..SBendtrans67.1-8.3-178.700000116.1Q63Q63-G65 VanDerWaalsContact C-N 3.31Å; Q63-G65 PolarHBondContact O-N 3.25Å
66K98.1Very high98Very high173 Ų17368.8 Ų68.875%0.75236%0.355SS*.SBendtrans-109.5-33.1-169.3-66.3172.1-174.41790113.8C64 K71C64-K66 WeakPolarHBondContact O-CG 3.32Å; C64-K66 PolarHBondContact O-N 3.02Å; C64-K66 PolarHBondContact SG-N 2.93Å; K66-K71 WeakPolarHBondContact O-CE 3.49Å
67C98.4Very high98Very high20 Ų2073.3 Ų73.314%0.13537%0.372CS..SBendtrans-75.3160.7-176.479.60000112.3C64 I69 C70 K71 L79C64-C67 PolarHBondContact SG-N 3.23Å; C64-C67 VanDerWaalsContact SG-N 3.42Å; C67-I69 PolarHBondContact O-N 2.91Å; C67-I69 VanDerWaalsContact O-N 3.15Å; C67-C70 PolarHBondContact O-N 3.27Å; C67-C70 VanDerWaalsContact O-N 3.13Å; C67-C70 PolarHBondContact SG-N 3.39Å; C67-C70 VanDerWaalsContact SG-N 3.41Å; C67-K71 PolarHBondContact O-N 2.67Å; C67-K71 VanDerWaalsContact O-N 3.14Å; C67-L79 HydrophobicContact CB-CB 4.13Å; C67-L79 HydrophobicContact CB-CD1 4.09Å; C67-L79 HydrophobicContact CB-CG 4.16Å
68R98.1Very high98Very high192 Ų19272.9 Ų72.973%0.72537%0.37SS*.THydrogen-bonded Turntrans-55.5-32.6179.569179.3-179.2138.40.1113.8K71 N72 L79R68-K71 PolarHBondContact O-N 3.47Å; R68-N72 PolarHBondContact O-N 3.4Å; R68-L79 HydrophobicContact CG-CD1 4.1Å
69I98.2Very high98Very high30 Ų3077.4 Ų77.415%0.15439%0.393CS..THydrogen-bonded Turntrans-71.8-46.2178.8-58.5-59.5000110.6C67 K71 N72 S75 Y77 L79C67-I69 PolarHBondContact O-N 2.91Å; C67-I69 VanDerWaalsContact O-N 3.15Å; I69-K71 PolarHBondContact O-N 2.64Å; I69-K71 VanDerWaalsContact O-N 3.17Å; I69-N72 VanDerWaalsContact O-CB 3.32Å; I69-N72 WeakPolarHBondContact O-CB 3.44Å; I69-N72 PolarHBondContact O-N 2.91Å; I69-S75 WeakPolarHBondContact CG2-OG 3.47Å; I69-Y77 WeakPolarHBondContact CG2-O 3.28Å; I69-L79 HydrophobicContact CG1-CD2 3.75Å; I69-L79 HydrophobicContact CG1-CG 3.87Å
70C98.4Very high97.9Very high32 Ų3280.3 Ų80.322%0.21640%0.404CS..THydrogen-bonded Turntrans-64.1-20.6175.7-67.20000113.8C67 C78C67-C70 PolarHBondContact O-N 3.27Å; C67-C70 VanDerWaalsContact O-N 3.13Å; C67-C70 PolarHBondContact SG-N 3.39Å; C67-C70 VanDerWaalsContact SG-N 3.41Å; C70-C78 PolarHBondContact SG-SG 2.9Å
71K98.3Very high97.9Very high155 Ų15579.5 Ų79.567%0.67440%0.402SS*.THydrogen-bonded Turntrans-89.8-7.2174.1-66-178.4179-177.80113K66 C67 R68 I69K66-K71 WeakPolarHBondContact O-CE 3.49Å; C67-K71 PolarHBondContact O-N 2.67Å; C67-K71 VanDerWaalsContact O-N 3.14Å; R68-K71 PolarHBondContact O-N 3.47Å; I69-K71 PolarHBondContact O-N 2.64Å; I69-K71 VanDerWaalsContact O-N 3.17Å
72N98.2Very high97.9Very high76 Ų7678.4 Ų78.441%0.40640%0.395SS..SBendtrans-85.5132.9177.8-175.9-69.6000109.4R68 I69 E74 S75R68-N72 PolarHBondContact O-N 3.4Å; I69-N72 VanDerWaalsContact O-CB 3.32Å; I69-N72 WeakPolarHBondContact O-CB 3.44Å; I69-N72 PolarHBondContact O-N 2.91Å; N72-E74 VanDerWaalsContact C-N 3.28Å; N72-E74 PolarHBondContact O-N 2.79Å; N72-E74 PolarHBondContact OD1-N 3.24Å; N72-S75 PolarHBondContact OD1-N 3.23Å
73P96.8Very high97.7Very high111 Ų11180.5 Ų80.572%0.72141%0.405SS*.SBendtrans-70.9-17.9-176.127.8-35.3000114.7
74E96.2Very high97.4Very high117 Ų11776.5 Ų76.555%0.54740%0.402SS..SBendtrans-112.7-8.2-171.9-67-63.297.200114.1N72 K152 K155N72-E74 VanDerWaalsContact C-N 3.28Å; N72-E74 PolarHBondContact O-N 2.79Å; N72-E74 PolarHBondContact OD1-N 3.24Å; E74-K152 IonicContact OE1-NZ 3.9Å; E74-K152 PolarHBondContact OE1-NZ 3.37Å; E74-K152 IonicContact OE2-NZ 2.93Å; E74-K155 IonicContact OE2-NZ 2.86Å; E74-K155 PolarHBondContact OE2-NZ 3.42Å
75S95.9Very high97.2Very high47 Ų4781.4 Ų81.433%0.32943%0.427SS..  trans-117.6140-176.4-171.80000112.6I69 N72I69-S75 WeakPolarHBondContact CG2-OG 3.47Å; N72-S75 PolarHBondContact OD1-N 3.23Å
76N97.5Very high97.2Very high132 Ų13281 Ų8171%0.70642%0.416SS*.  trans-114.6-2.7178.467-20000113.8T61 C78T61-N76 VanDerWaalsContact CG2-O 3.22Å; T61-N76 WeakPolarHBondContact CG2-O 3.43Å; N76-C78 VanDerWaalsContact C-N 3.32Å; N76-C78 PolarHBondContact O-N 2.92Å
77Y98.2Very high97.1Very high98 Ų9878.3 Ų78.338%0.38440%0.401SS..  trans-83.670.6-172.5-160.1-109000112.5I69 L79 N81 L83 G84I69-Y77 WeakPolarHBondContact CG2-O 3.28Å; Y77-L79 PolarHBondContact O-N 3.5Å; Y77-N81 VanDerWaalsContact CE1-ND2 3.28Å; Y77-N81 WeakPolarHBondContact CE1-ND2 3.49Å; Y77-N81 PolarHBondContact OH-OD1 2.85Å; Y77-L83 HydrophobicContact CE2-CB 4.19Å; Y77-L83 HydrophobicContact CE2-CD1 3.81Å; Y77-L83 WeakPolarHBondContact OH-CB 3.24Å; Y77-G84 WeakPolarHBondContact OH-CA 3.36Å; Y77-G84 PolarHBondContact OH-N 3.47Å; Y77-G84 VanDerWaalsContact OH-N 3.13Å
78C98.5Very high97.1Very high0 Ų077.3 Ų77.30%039%0.394CS..  trans-49.9138.8-173.6-178.40000112.9P62 C70 N76 K80 N81P62-C78 HydrophobicContact CG-CB 4.38Å; P62-C78 WeakPolarHBondContact O-CB 3.37Å; C70-C78 PolarHBondContact SG-SG 2.9Å; N76-C78 VanDerWaalsContact C-N 3.32Å; N76-C78 PolarHBondContact O-N 2.92Å; C78-K80 PolarHBondContact O-N 3.22Å; C78-K80 PolarHBondContact SG-N 2.96Å; C78-N81 WeakPolarHBondContact O-CB 3.5Å; C78-N81 PolarHBondContact O-N 2.95Å; C78-N81 PolarHBondContact O-ND2 3.21Å
79L98.1Very high97.1Very high98 Ų9868.9 Ų68.951%0.51336%0.364SS..THydrogen-bonded Turntrans-64-4.6178.8-61.8-174.7000114.8C67 R68 I69 Y77C67-L79 HydrophobicContact CB-CB 4.13Å; C67-L79 HydrophobicContact CB-CD1 4.09Å; C67-L79 HydrophobicContact CB-CG 4.16Å; R68-L79 HydrophobicContact CG-CD1 4.1Å; I69-L79 HydrophobicContact CG1-CD2 3.75Å; I69-L79 HydrophobicContact CG1-CG 3.87Å; Y77-L79 PolarHBondContact O-N 3.5Å
80K97.8Very high97.1Very high108 Ų10867.5 Ų67.547%0.4736%0.357SS..THydrogen-bonded Turntrans-95.61.3175.2-65-64.2-171.5174.60113.3P62 C64 C78P62-K80 HydrophobicContact CG-CB 4.16Å; C64-K80 HydrophobicContact CB-CG 4.12Å; C78-K80 PolarHBondContact O-N 3.22Å; C78-K80 PolarHBondContact SG-N 2.96Å
81N97.8Very high97.1Very high24 Ų2469.2 Ų69.213%0.12836%0.362CS..  trans-61.3153.3177.677.881.8000111.9P62 Y77 C78 L83 G84P62-N81 HydrophobicContact CG-CB 4.49Å; Y77-N81 VanDerWaalsContact CE1-ND2 3.28Å; Y77-N81 WeakPolarHBondContact CE1-ND2 3.49Å; Y77-N81 PolarHBondContact OH-OD1 2.85Å; C78-N81 WeakPolarHBondContact O-CB 3.5Å; C78-N81 PolarHBondContact O-N 2.95Å; C78-N81 PolarHBondContact O-ND2 3.21Å; N81-L83 WeakPolarHBondContact OD1-CB 2.88Å; N81-L83 PolarHBondContact OD1-N 3.17Å; N81-G84 PolarHBondContact OD1-N 3.14Å
82D97.7Very high97Very high8 Ų866.1 Ų66.14%0.04335%0.352CS..SBendtrans-108.123.2172.3-157.355.4000111.2P86 R87 G88D82-P86 VanDerWaalsContact O-CA 3.3Å; D82-P86 WeakPolarHBondContact O-CA 3.42Å; D82-P86 WeakPolarHBondContact O-CB 3.29Å; D82-R87 WeakPolarHBondContact OD1-CB 3.36Å; D82-R87 PolarHBondContact OD1-N 3.01Å; D82-R87 IonicContact OD1-NE 3.63Å; D82-R87 PolarHBondContact OD1-NE 3.41Å; D82-R87 PolarHBondContact OD2-N 2.96Å; D82-G88 PolarHBondContact OD2-N 3.22Å
83L95.6Very high97Very high54 Ų5464.5 Ų64.528%0.28335%0.354SS..SBendtrans-91.8-44.2179.1-76.7169.6000111.8F60 Y77 N81 V108F60-L83 HydrophobicContact CD2-CD1 3.87Å; F60-L83 HydrophobicContact CE2-CD1 4Å; Y77-L83 HydrophobicContact CE2-CB 4.19Å; Y77-L83 HydrophobicContact CE2-CD1 3.81Å; Y77-L83 WeakPolarHBondContact OH-CB 3.24Å; N81-L83 WeakPolarHBondContact OD1-CB 2.88Å; N81-L83 PolarHBondContact OD1-N 3.17Å; L83-V108 HydrophobicContact CD2-CB 4.36Å; L83-V108 HydrophobicContact CD2-CG1 3.51Å; L83-V108 HydrophobicContact CG-CG1 4.17Å
84G92.3Very high97Very high59 Ų5962.2 Ų62.261%0.60834%0.338SS*.SBendtrans-73.3-30.3-173.100000113.9Y77 N81Y77-G84 WeakPolarHBondContact OH-CA 3.36Å; Y77-G84 PolarHBondContact OH-N 3.47Å; Y77-G84 VanDerWaalsContact OH-N 3.13Å; N81-G84 PolarHBondContact OD1-N 3.14Å
85N94.1Very high97.1Very high130 Ų13061.3 Ų61.370%0.69533%0.329SS*.SBendtrans-14684.4171.5-175.221.1000108.9R87N85-R87 PolarHBondContact O-N 3.13Å
86P96.1Very high97.2Very high37 Ų3763.8 Ų63.824%0.2433%0.332CS..  trans-63.9122-170.6-22.633.7000112.8D82D82-P86 VanDerWaalsContact O-CA 3.3Å; D82-P86 WeakPolarHBondContact O-CA 3.42Å; D82-P86 WeakPolarHBondContact O-CB 3.29Å
87R97.6Very high97.3Very high116 Ų11658.6 Ų58.644%0.43830%0.303SS..  trans-102.5-21.6174.6-62.4172.2-64.4158.57.2111.8D82 N85 H105D82-R87 WeakPolarHBondContact OD1-CB 3.36Å; D82-R87 PolarHBondContact OD1-N 3.01Å; D82-R87 IonicContact OD1-NE 3.63Å; D82-R87 PolarHBondContact OD1-NE 3.41Å; D82-R87 PolarHBondContact OD2-N 2.96Å; N85-R87 PolarHBondContact O-N 3.13Å; R87-H105 PolarHBondContact O-ND1 3.3Å
88G98.3Very high97.3Very high0 Ų059.3 Ų59.30%032%0.317CS..  trans64.842.3-178.900000112.8D82 H105 H106D82-G88 PolarHBondContact OD2-N 3.22Å; G88-H105 WeakPolarHBondContact O-CA 3.23Å; G88-H105 WeakPolarHBondContact O-CB 3.27Å; G88-H105 PolarHBondContact O-ND1 3.47Å; G88-H105 VanDerWaalsContact O-ND1 3.13Å; G88-H106 CarbonylContact C-O 3.57Å; G88-H106 WeakPolarHBondContact CA-O 3.45Å; G88-H106 PolarHBondContact O-N 2.89Å
89T98.6Very high97.3Very high14 Ų1462.9 Ų62.99%0.08634%0.342CS..SBendtrans-140.5167.9-17857.70000110.9G93 T94 R95T89-G93 WeakPolarHBondContact CG2-O 3.45Å; T89-T94 WeakPolarHBondContact CB-O 3.49Å; T89-R95 HydrophobicContact CG2-CG 4.11Å
90L98.1Very high97.3Very high1 Ų163.9 Ų63.91%0.00536%0.357CS..  trans-75173.4165.5-61.2-174.2000110.6D92 G93 T94 R96 V118L90-D92 PolarHBondContact O-N 3.38Å; L90-D92 VanDerWaalsContact O-N 3.14Å; L90-G93 WeakPolarHBondContact O-CA 3.32Å; L90-G93 PolarHBondContact O-N 3.15Å; L90-T94 PolarHBondContact N-O 3.21Å; L90-R96 HydrophobicContact CD1-CG 3.61Å; L90-V118 HydrophobicContact CD1-CG1 4.04Å
91Q97.1Very high97.2Very high68 Ų6862.3 Ų62.332%0.31837%0.371SS..THydrogen-bonded Turntrans-61.8-23.8-176.6-81.1176.159.800114.8G93 D120 N122Q91-G93 PolarHBondContact O-N 3.5Å; Q91-D120 WeakPolarHBondContact CB-OD2 3.27Å; Q91-D120 VanDerWaalsContact CG-OD2 3.31Å; Q91-D120 WeakPolarHBondContact CG-OD2 3.49Å; Q91-D120 PolarHBondContact N-OD2 3.49Å; Q91-D120 PolarHBondContact NE2-OD2 3.42Å; Q91-N122 VanDerWaalsContact NE2-CG 3.26Å; Q91-N122 PolarHBondContact NE2-ND2 2.9Å; Q91-N122 PolarHBondContact NE2-OD1 3.31Å
92D97.1Very high97.3Very high90 Ų9068.1 Ų68.148%0.48140%0.396SS..THydrogen-bonded Turntrans-76.9-0.8173.268.76.5000113.5L90 T94 R96L90-D92 PolarHBondContact O-N 3.38Å; L90-D92 VanDerWaalsContact O-N 3.14Å; D92-T94 VanDerWaalsContact C-N 3.31Å; D92-T94 WeakPolarHBondContact OD1-CB 3.31Å; D92-T94 PolarHBondContact OD1-N 2.87Å; D92-T94 PolarHBondContact OD1-OG1 3.34Å; D92-T94 PolarHBondContact OD2-OG1 2.93Å; D92-T94 VanDerWaalsContact OD2-OG1 3.08Å; D92-R96 IonicContact OD1-NH2 3.97Å; D92-R96 IonicContact OD2-CZ 3.74Å; D92-R96 IonicContact OD2-NH1 3.9Å; D92-R96 IonicContact OD2-NH2 2.72Å; D92-R96 PolarHBondContact OD2-NH2 2.94Å
93G97.5Very high97.3Very high42 Ų4271 Ų7143%0.43341%0.414SS..SBendtrans83.22.8179.300000114.3T89 L90 Q91T89-G93 WeakPolarHBondContact CG2-O 3.45Å; L90-G93 WeakPolarHBondContact O-CA 3.32Å; L90-G93 PolarHBondContact O-N 3.15Å; Q91-G93 PolarHBondContact O-N 3.5Å
94T97.5Very high97.4Very high64 Ų6469.2 Ų69.239%0.39341%0.405SS..  trans-109.1173.3-175.1700000112.1T89 L90 D92 R96T89-T94 WeakPolarHBondContact CB-O 3.49Å; L90-T94 PolarHBondContact N-O 3.21Å; D92-T94 VanDerWaalsContact C-N 3.31Å; D92-T94 WeakPolarHBondContact OD1-CB 3.31Å; D92-T94 PolarHBondContact OD1-N 2.87Å; D92-T94 PolarHBondContact OD1-OG1 3.34Å; D92-T94 PolarHBondContact OD2-OG1 2.93Å; D92-T94 VanDerWaalsContact OD2-OG1 3.08Å; T94-R96 PolarHBondContact OG1-NH1 3.35Å
95R97.8Very high97.8Very high97 Ų9767.3 Ų67.337%0.36638%0.38SS..  trans-114.7157.8-177.6-61164-164.116610.6109.3T89 I104 H105T89-R95 HydrophobicContact CG2-CG 4.11Å; R95-I104 WeakPolarHBondContact CD-O 3.31Å; R95-H105 PolarHBondContact NE-ND1 3.22Å; R95-H105 PolarHBondContact NH2-CE1 3.05Å; R95-H105 PolarHBondContact NH2-NE2 3.27Å
96R98.3Very high98Very high100 Ų10061.1 Ų61.138%0.37735%0.347SS..  trans-117.2-4177.1-63.4-69.9178.2-80.6-6.2112.7L90 D92 T94 H106 V118L90-R96 HydrophobicContact CD1-CG 3.61Å; D92-R96 IonicContact OD1-NH2 3.97Å; D92-R96 IonicContact OD2-CZ 3.74Å; D92-R96 IonicContact OD2-NH1 3.9Å; D92-R96 IonicContact OD2-NH2 2.72Å; D92-R96 PolarHBondContact OD2-NH2 2.94Å; T94-R96 PolarHBondContact OG1-NH1 3.35Å; R96-H106 PolarHBondContact N-NE2 3.16Å; R96-V118 HydrophobicContact CB-CB 4.07Å; R96-V118 HydrophobicContact CB-CG2 4.14Å; R96-V118 HydrophobicContact CG-CB 3.86Å; R96-V118 HydrophobicContact CG-CG1 3.94Å; R96-V118 HydrophobicContact CG-CG2 4.22Å
97F98.7Very high98.1Very high23 Ų2359.5 Ų59.510%0.10134%0.337CS..EExtended strand (participates in β ladder)trans-109.4135.5-177.7-58.9-61.2000110.8I31 I104 H106 T117I31-F97 HydrophobicContact CD1-CB 3.99Å; I31-F97 HydrophobicContact CD1-CD1 3.61Å; I31-F97 HydrophobicContact CD1-CD2 3.86Å; I31-F97 HydrophobicContact CD1-CE1 3.96Å; I31-F97 HydrophobicContact CD1-CE2 4.17Å; I31-F97 HydrophobicContact CD1-CG 3.54Å; I31-F97 HydrophobicContact CD1-CZ 4.21Å; I31-F97 HydrophobicContact CG1-CD2 4.43Å; I31-F97 HydrophobicContact CG1-CG 4.47Å; F97-I104 HydrophobicContact CB-CB 3.87Å; F97-I104 PolarHBondContact O-N 3Å; F97-H106 AromaticContact CD2-CE1 3.76Å; F97-H106 AromaticContact CD2-ND1 3.97Å; F97-H106 AromaticContact CD2-NE2 3.9Å; F97-H106 AromaticContact CE2-CE1 3.29Å; F97-H106 WeakPolarHBondContact CE2-CE1 3.23Å; F97-H106 AromaticContact CE2-ND1 3.36Å; F97-H106 WeakPolarHBondContact CE2-ND1 3.26Å; F97-H106 AromaticContact CE2-NE2 3.9Å; F97-T117 WeakPolarHBondContact CZ-OG1 3.42Å
98T98.6Very high98.1Very high112 Ų11254.4 Ų54.469%0.68732%0.318SS*.EExtended strand (participates in β ladder)trans-128.8146.3164.759.20000108.9K102T98-K102 CarbonylContact C-O 3.45Å; T98-K102 VanDerWaalsContact CA-O 3.24Å; T98-K102 WeakPolarHBondContact CA-O 3.38Å
99C98.4Very high98.1Very high76 Ų7655 Ų5551%0.51433%0.325SS..EExtended strand (participates in β ladder)trans-139.8125.7171.8-176.60000107.9G101 K102 I104C99-G101 PolarHBondContact O-N 3.18Å; C99-K102 PolarHBondContact N-O 3.23Å; C99-K102 PolarHBondContact O-N 2.78Å; C99-I104 HydrophobicContact CB-CD1 3.93Å; C99-I104 HydrophobicContact CB-CG1 3.75Å
100S97.6Very high98.1Very high119 Ų11954.4 Ų54.483%0.83232%0.321SS*.THydrogen-bonded Turntrans50.243.5-176.1-56.10000113.1K102S100-K102 PolarHBondContact O-N 2.93Å
101G97.4Very high98.1Very high75 Ų7554.3 Ų54.377%0.77332%0.32SS*.THydrogen-bonded Turntrans74-0.9-179.400000115.6C99C99-G101 PolarHBondContact O-N 3.18Å
102K98.1Very high98.2Very high146 Ų14651.2 Ų51.264%0.63531%0.306SS*.EExtended strand (participates in β ladder)trans-101.4137.5179.5-62.5-179.8-177.2178.40111.1T98 C99 S100T98-K102 CarbonylContact C-O 3.45Å; T98-K102 VanDerWaalsContact CA-O 3.24Å; T98-K102 WeakPolarHBondContact CA-O 3.38Å; C99-K102 PolarHBondContact N-O 3.23Å; C99-K102 PolarHBondContact O-N 2.78Å; S100-K102 PolarHBondContact O-N 2.93Å
103P98.4Very high98.3Very high67 Ų6751.1 Ų51.144%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-69.3135.3175.928.8-34000111
104I98.8Very high98.3Very high18 Ų1851 Ų519%0.09229%0.294CS..EExtended strand (participates in β ladder)trans-111.3138.5179.7-49-59.4000109.6P29 I31 R95 F97 C99P29-I104 HydrophobicContact CB-CD1 4.03Å; P29-I104 HydrophobicContact CG-CD1 3.59Å; I31-I104 HydrophobicContact CG1-CG2 3.82Å; R95-I104 WeakPolarHBondContact CD-O 3.31Å; F97-I104 HydrophobicContact CB-CB 3.87Å; F97-I104 PolarHBondContact O-N 3Å; C99-I104 HydrophobicContact CB-CD1 3.93Å; C99-I104 HydrophobicContact CB-CG1 3.75Å
105H98.9Very high98.4Very high19 Ų1955.5 Ų55.59%0.08831%0.31CS..BIsolated β-bridgetrans-70.8151.4179.5-73.4-90000112.3P27 P29 V30 I31 R87 G88 R95P27-H105 WeakPolarHBondContact CB-CE1 3.27Å; P27-H105 WeakPolarHBondContact CB-ND1 3.33Å; P29-H105 WeakPolarHBondContact O-CB 3.44Å; P29-H105 PolarHBondContact O-CD2 3.41Å; P29-H105 VanDerWaalsContact O-CD2 3.32Å; P29-H105 PolarHBondContact O-N 2.95Å; V30-H105 HydrophobicContact CB-CB 4.19Å; V30-H105 HydrophobicContact CG2-CB 4.05Å; I31-H105 PolarHBondContact N-O 2.65Å; R87-H105 PolarHBondContact O-ND1 3.3Å; G88-H105 WeakPolarHBondContact O-CA 3.23Å; G88-H105 WeakPolarHBondContact O-CB 3.27Å; G88-H105 PolarHBondContact O-ND1 3.47Å; G88-H105 VanDerWaalsContact O-ND1 3.13Å; R95-H105 PolarHBondContact NE-ND1 3.22Å; R95-H105 PolarHBondContact NH2-CE1 3.05Å; R95-H105 PolarHBondContact NH2-NE2 3.27Å
106H98.8Very high98.4Very high0 Ų055.9 Ų55.90%031%0.313CS..  trans-78.7155.7163.5-73.9-97.2000110.3G88 R96 F97 S111 V118G88-H106 CarbonylContact C-O 3.57Å; G88-H106 WeakPolarHBondContact CA-O 3.45Å; G88-H106 PolarHBondContact O-N 2.89Å; R96-H106 PolarHBondContact N-NE2 3.16Å; F97-H106 AromaticContact CD2-CE1 3.76Å; F97-H106 AromaticContact CD2-ND1 3.97Å; F97-H106 AromaticContact CD2-NE2 3.9Å; F97-H106 AromaticContact CE2-CE1 3.29Å; F97-H106 WeakPolarHBondContact CE2-CE1 3.23Å; F97-H106 AromaticContact CE2-ND1 3.36Å; F97-H106 WeakPolarHBondContact CE2-ND1 3.26Å; F97-H106 AromaticContact CE2-NE2 3.9Å; H106-S111 VanDerWaalsContact CA-OG 3.23Å; H106-S111 WeakPolarHBondContact CA-OG 3.31Å; H106-V118 PolarHBondContact CE1-O 3.49Å
107F98.7Very high98.5Very high3 Ų351.2 Ų51.21%0.01330%0.295CS..SBendtrans-113.8118.7171.9-178-125.3000108.9D16 V19 L24 T26 V30 I31 L32 H34 G109 V110 S111D16-F107 WeakPolarHBondContact OD1-CE1 3.26Å; V19-F107 HydrophobicContact CG2-CD2 4.47Å; V19-F107 HydrophobicContact CG2-CE2 3.68Å; V19-F107 HydrophobicContact CG2-CZ 3.9Å; L24-F107 HydrophobicContact CD2-CE2 4.01Å; T26-F107 HydrophobicContact CG2-CD2 4.11Å; T26-F107 HydrophobicContact CG2-CE2 4.27Å; V30-F107 HydrophobicContact CG2-CB 3.84Å; I31-F107 WeakPolarHBondContact O-CB 3.3Å; L32-F107 HydrophobicContact CD2-CB 4.43Å; L32-F107 HydrophobicContact CD2-CD1 4.21Å; L32-F107 HydrophobicContact CD2-CD2 4.14Å; L32-F107 HydrophobicContact CD2-CE2 4.47Å; L32-F107 HydrophobicContact CD2-CG 4Å; H34-F107 HydrophobicContact CB-CD1 4.35Å; H34-F107 HydrophobicContact CB-CE1 4.23Å; H34-F107 AromaticContact ND1-CE1 3.72Å; F107-G109 PolarHBondContact O-N 2.68Å; F107-V110 WeakPolarHBondContact O-CG2 3.35Å; F107-V110 PolarHBondContact O-N 3.42Å; F107-S111 PolarHBondContact N-OG 3.18Å; F107-S111 PolarHBondContact O-N 2.94Å
108V98.1Very high98.5Very high9 Ų951.7 Ų51.76%0.05530%0.3CS..THydrogen-bonded Turntrans45.833.3178.4-58.70000114.1H34 F60 L83 V110H34-V108 HydrophobicContact CB-CG2 3.7Å; F60-V108 HydrophobicContact CB-CB 4.22Å; F60-V108 HydrophobicContact CB-CG2 3.65Å; L83-V108 HydrophobicContact CD2-CB 4.36Å; L83-V108 HydrophobicContact CD2-CG1 3.51Å; L83-V108 HydrophobicContact CG-CG1 4.17Å; V108-V110 VanDerWaalsContact C-N 3.32Å; V108-V110 HydrophobicContact CG2-CG2 3.83Å; V108-V110 PolarHBondContact O-N 2.92Å
109G97.4Very high98.5Very high13 Ų1346.6 Ų46.613%0.13427%0.269CS..THydrogen-bonded Turntrans72.312.7179.300000116.3F107 V119F107-G109 PolarHBondContact O-N 2.68Å; G109-V119 WeakPolarHBondContact O-CG1 3.22Å
110V98.3Very high98.5Very high0 Ų043.6 Ų43.60%025%0.248CC..THydrogen-bonded Turntrans-130-45.5-174.3-60.60000115.8H34 P58 F60 F107 V108 T112 T117 V119H34-V110 HydrophobicContact CB-CG2 3.65Å; P58-V110 HydrophobicContact CB-CB 3.91Å; P58-V110 HydrophobicContact CB-CG1 3.62Å; F60-V110 HydrophobicContact CB-CG2 4.43Å; F107-V110 WeakPolarHBondContact O-CG2 3.35Å; F107-V110 PolarHBondContact O-N 3.42Å; V108-V110 VanDerWaalsContact C-N 3.32Å; V108-V110 HydrophobicContact CG2-CG2 3.83Å; V108-V110 PolarHBondContact O-N 2.92Å; V110-T112 HydrophobicContact CB-CG2 4.08Å; V110-T112 HydrophobicContact CG2-CG2 4.21Å; V110-T112 PolarHBondContact O-N 2.94Å; V110-T117 WeakPolarHBondContact O-CB 3.5Å; V110-T117 WeakPolarHBondContact O-CG2 3.03Å; V110-T117 PolarHBondContact O-OG1 2.8Å; V110-V119 HydrophobicContact CB-CG1 4.45Å; V110-V119 HydrophobicContact CG1-CG1 4.45Å
111S98.8Very high98.5Very high0 Ų039.4 Ų39.40%022%0.215CC..  trans44.964.7175.6-750000116I31 L32 H106 F107 T117I31-S111 WeakPolarHBondContact O-CB 3.34Å; I31-S111 PolarHBondContact O-OG 2.93Å; L32-S111 CarbonylContact O-C 3.59Å; H106-S111 VanDerWaalsContact CA-OG 3.23Å; H106-S111 WeakPolarHBondContact CA-OG 3.31Å; F107-S111 PolarHBondContact N-OG 3.18Å; F107-S111 PolarHBondContact O-N 2.94Å; S111-T117 WeakPolarHBondContact O-CB 3.23Å; S111-T117 PolarHBondContact O-OG1 2.91Å
112T98.8Very high98.6Very high2 Ų237.2 Ų37.21%0.01219%0.185CC..  trans-88-6.5-16863.50000114.8M7 L32 G33 H34 A36 P58 V110 S114M7-T112 HydrophobicContact SD-CG2 4.26Å; L32-T112 PolarHBondContact O-N 2.85Å; L32-T112 VanDerWaalsContact O-N 3.16Å; G33-T112 VanDerWaalsContact CA-OG1 3.31Å; G33-T112 WeakPolarHBondContact CA-OG1 3.36Å; G33-T112 PolarHBondContact O-N 2.89Å; G33-T112 PolarHBondContact O-OG1 3.32Å; G33-T112 VanDerWaalsContact O-OG1 3.05Å; H34-T112 PolarHBondContact N-OG1 2.93Å; A36-T112 VanDerWaalsContact CB-CB 3.45Å; A36-T112 HydrophobicContact CB-CG2 3.54Å; P58-T112 HydrophobicContact CB-CG2 4.39Å; P58-T112 HydrophobicContact CG-CG2 4.1Å; V110-T112 HydrophobicContact CB-CG2 4.08Å; V110-T112 HydrophobicContact CG2-CG2 4.21Å; V110-T112 PolarHBondContact O-N 2.94Å; T112-S114 PolarHBondContact O-N 3.19Å
113F98.8Very high98.6Very high89 Ų8930.5 Ų30.539%0.3916%0.158SC..SBendtrans-80.651.4171.4-63.1-12.3000112.1A10 G11 I12 D16 I31 L32 G33A10-F113 HydrophobicContact CB-CD1 4.18Å; A10-F113 HydrophobicContact CB-CE1 4.2Å; G11-F113 WeakPolarHBondContact O-CE1 3.35Å; I12-F113 HydrophobicContact CG1-CZ 4.4Å; D16-F113 HydrophobicContact CB-CE2 4.14Å; D16-F113 HydrophobicContact CB-CZ 4.31Å; I31-F113 HydrophobicContact CG2-CB 4.41Å; L32-F113 HydrophobicContact CB-CD2 3.71Å; L32-F113 HydrophobicContact CB-CE2 3.98Å; L32-F113 WeakPolarHBondContact O-CB 3.31Å; L32-F113 WeakPolarHBondContact O-CG 3.16Å; L32-F113 PolarHBondContact O-N 2.92Å; G33-F113 VanDerWaalsContact CA-CE1 3.46Å
114S98.8Very high98.6Very high40 Ų4027.9 Ų27.928%0.2814%0.14SC..SBendtrans-149.2149.4175.4175.10000109M7 T112 Y116M7-S114 WeakPolarHBondContact CB-O 3.4Å; M7-S114 WeakPolarHBondContact CG-O 3.32Å; T112-S114 PolarHBondContact O-N 3.19Å; S114-Y116 VanDerWaalsContact CB-O 3.28Å; S114-Y116 WeakPolarHBondContact CB-O 3.21Å; S114-Y116 PolarHBondContact O-N 3.13Å; S114-Y116 PolarHBondContact OG-N 3.27Å; S114-Y116 PolarHBondContact OG-O 2.87Å
115Q98.7Very high98.6Very high157 Ų15728.7 Ų28.773%0.73415%0.15SC*.SBendtrans-59.6-33175.1-70.4-179.3-31.800112.2K6 M7K6-Q115 WeakPolarHBondContact CA-O 3.4Å; M7-Q115 PolarHBondContact N-O 3.47Å
116Y98.8Very high98.6Very high105 Ų10533 Ų3341%0.41217%0.168SC..EExtended strand (participates in β ladder)trans-131.9141.5174.5-63.6-92000110.2G5 K6 E41 S114G5-Y116 VanDerWaalsContact O-CA 3.3Å; G5-Y116 WeakPolarHBondContact O-CA 3.49Å; K6-Y116 HydrophobicContact CB-CD1 3.89Å; K6-Y116 HydrophobicContact CB-CE1 3.55Å; K6-Y116 HydrophobicContact CD-CE1 4.03Å; K6-Y116 HydrophobicContact CG-CD1 4.25Å; K6-Y116 HydrophobicContact CG-CE1 3.69Å; E41-Y116 HydrophobicContact CB-CD1 4.49Å; E41-Y116 HydrophobicContact CB-CE1 4.34Å; E41-Y116 HydrophobicContact CG-CD1 4.45Å; E41-Y116 HydrophobicContact CG-CE1 4Å; S114-Y116 VanDerWaalsContact CB-O 3.28Å; S114-Y116 WeakPolarHBondContact CB-O 3.21Å; S114-Y116 PolarHBondContact O-N 3.13Å; S114-Y116 PolarHBondContact OG-N 3.27Å; S114-Y116 PolarHBondContact OG-O 2.87Å
117T98.8Very high98.6Very high3 Ų334.7 Ų34.72%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-134.1159.5171.4-172.20000110.6A4 G5 M7 F97 V110 S111 V119A4-T117 CarbonylContact C-O 3.46Å; A4-T117 WeakPolarHBondContact CA-O 3.48Å; G5-T117 PolarHBondContact N-O 2.74Å; G5-T117 PolarHBondContact O-N 3.46Å; M7-T117 HydrophobicContact CE-CG2 3.8Å; M7-T117 HydrophobicContact CG-CG2 4.31Å; M7-T117 HydrophobicContact SD-CG2 3.96Å; F97-T117 WeakPolarHBondContact CZ-OG1 3.42Å; V110-T117 WeakPolarHBondContact O-CB 3.5Å; V110-T117 WeakPolarHBondContact O-CG2 3.03Å; V110-T117 PolarHBondContact O-OG1 2.8Å; S111-T117 WeakPolarHBondContact O-CB 3.23Å; S111-T117 PolarHBondContact O-OG1 2.91Å; T117-V119 HydrophobicContact CG2-CG1 4.23Å
118V98.8Very high98.6Very high32 Ų3239.7 Ų39.719%0.19420%0.204CC..EExtended strand (participates in β ladder)trans-120126.2174.8-179.30000108.1T3 A4 L90 R96 H106T3-V118 WeakPolarHBondContact O-CA 3.36Å; A4-V118 HydrophobicContact CB-CG2 4.16Å; L90-V118 HydrophobicContact CD1-CG1 4.04Å; R96-V118 HydrophobicContact CB-CB 4.07Å; R96-V118 HydrophobicContact CB-CG2 4.14Å; R96-V118 HydrophobicContact CG-CB 3.86Å; R96-V118 HydrophobicContact CG-CG1 3.94Å; R96-V118 HydrophobicContact CG-CG2 4.22Å; H106-V118 PolarHBondContact CE1-O 3.49Å
119V98.7Very high98.6Very high6 Ų643 Ų434%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-126155.6-179.4-57.10000110.5S2 T3 G109 V110 T117 A123 V124S2-V119 CarbonylContact C-O 3.59Å; S2-V119 WeakPolarHBondContact CA-O 3.46Å; S2-V119 WeakPolarHBondContact CB-O 3.33Å; T3-V119 PolarHBondContact N-O 3.26Å; T3-V119 PolarHBondContact O-N 3.42Å; G109-V119 WeakPolarHBondContact O-CG1 3.22Å; V110-V119 HydrophobicContact CB-CG1 4.45Å; V110-V119 HydrophobicContact CG1-CG1 4.45Å; T117-V119 HydrophobicContact CG2-CG1 4.23Å; V119-A123 HydrophobicContact CB-CB 4.5Å; V119-V124 HydrophobicContact CG2-CB 3.82Å; V119-V124 HydrophobicContact CG2-CG1 4.25Å; V119-V124 HydrophobicContact CG2-CG2 4.46Å
120D98.6Very high98.7Very high13 Ų1346.2 Ų46.27%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-69149.6169.9-72-58.4000110.8Q91 N122 A123Q91-D120 WeakPolarHBondContact CB-OD2 3.27Å; Q91-D120 VanDerWaalsContact CG-OD2 3.31Å; Q91-D120 WeakPolarHBondContact CG-OD2 3.49Å; Q91-D120 PolarHBondContact N-OD2 3.49Å; Q91-D120 PolarHBondContact NE2-OD2 3.42Å; D120-N122 VanDerWaalsContact CB-OD1 3.29Å; D120-N122 WeakPolarHBondContact CB-OD1 3.28Å; D120-N122 PolarHBondContact O-N 2.85Å; D120-N122 VanDerWaalsContact O-N 3.16Å; D120-A123 CarbonylContact O-C 3.58Å; D120-A123 WeakPolarHBondContact O-CA 3.38Å; D120-A123 WeakPolarHBondContact O-CB 3.47Å; D120-A123 PolarHBondContact O-N 3.32Å
121E98.4Very high98.7Very high30 Ų3047 Ų4714%0.1426%0.263CS..G310 helixtrans-56.8-33.9-176.4-175.8-176.3-157.400113.5M1 V47 T48 T49 A123 V124M1-E121 HydrophobicContact CB-CB 4.49Å; M1-E121 PolarHBondContact O-N 2.73Å; V47-E121 WeakPolarHBondContact CA-OE1 3.32Å; V47-E121 HydrophobicContact CG1-CG 4.17Å; V47-E121 HydrophobicContact CG2-CB 4.43Å; T48-E121 PolarHBondContact N-OE1 2.93Å; T48-E121 PolarHBondContact OG1-OE1 3.48Å; T49-E121 HydrophobicContact CG2-CG 4.38Å; T49-E121 WeakPolarHBondContact CG2-OE1 3.29Å; T49-E121 PolarHBondContact N-OE1 3.02Å; T49-E121 VanDerWaalsContact OG1-CG 3.23Å; T49-E121 WeakPolarHBondContact OG1-CG 3.45Å; T49-E121 PolarHBondContact OG1-OE1 2.72Å; E121-A123 PolarHBondContact O-N 3Å; E121-V124 WeakPolarHBondContact O-CG1 3.49Å; E121-V124 PolarHBondContact O-N 3.49Å
122N98.3Very high98.7Very high29 Ų2949.7 Ų49.716%0.15528%0.28CS..G310 helixtrans-78.2-1176.567.3-27000113.8P62 Q63 Q91 D120P62-N122 CarbonylContact C-O 3.54Å; P62-N122 VanDerWaalsContact CA-O 3.27Å; P62-N122 WeakPolarHBondContact CA-O 3.32Å; P62-N122 WeakPolarHBondContact CB-O 3.35Å; Q63-N122 PolarHBondContact N-O 3.3Å; Q91-N122 VanDerWaalsContact NE2-CG 3.26Å; Q91-N122 PolarHBondContact NE2-ND2 2.9Å; Q91-N122 PolarHBondContact NE2-OD1 3.31Å; D120-N122 VanDerWaalsContact CB-OD1 3.29Å; D120-N122 WeakPolarHBondContact CB-OD1 3.28Å; D120-N122 PolarHBondContact O-N 2.85Å; D120-N122 VanDerWaalsContact O-N 3.16Å
123A98.6Very high98.7Very high6 Ų650 Ų505%0.0528%0.282CS..G310 helixtrans-112.823.1176.900000111.4P58 L59 P62 V119 D120 E121P58-A123 CarbonylContact C-O 3.57Å; P58-A123 WeakPolarHBondContact CA-O 3.41Å; L59-A123 PolarHBondContact N-O 3.38Å; P62-A123 HydrophobicContact CB-CB 4.26Å; V119-A123 HydrophobicContact CB-CB 4.5Å; D120-A123 CarbonylContact O-C 3.58Å; D120-A123 WeakPolarHBondContact O-CA 3.38Å; D120-A123 WeakPolarHBondContact O-CB 3.47Å; D120-A123 PolarHBondContact O-N 3.32Å; E121-A123 PolarHBondContact O-N 3Å
124V98.8Very high98.7Very high11 Ų1151.5 Ų51.57%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-142.6137.9174.363.70000110.7V50 V56 V119 E121V50-V124 HydrophobicContact CG1-CG1 4.4Å; V50-V124 HydrophobicContact CG2-CG1 4.39Å; V56-V124 HydrophobicContact CB-CG2 3.55Å; V56-V124 HydrophobicContact CG1-CG2 3.74Å; V56-V124 HydrophobicContact CG2-CG2 4Å; V119-V124 HydrophobicContact CG2-CB 3.82Å; V119-V124 HydrophobicContact CG2-CG1 4.25Å; V119-V124 HydrophobicContact CG2-CG2 4.46Å; E121-V124 WeakPolarHBondContact O-CG1 3.49Å; E121-V124 PolarHBondContact O-N 3.49Å
125A98.8Very high98.7Very high36 Ų3656.2 Ų56.230%0.29831%0.306SS..EExtended strand (participates in β ladder)trans-118.2131.2173.900000110.5V56 I57 L59V56-A125 CarbonylContact C-O 3.55Å; V56-A125 WeakPolarHBondContact CA-O 3.49Å; V56-A125 WeakPolarHBondContact CB-O 3.19Å; I57-A125 PolarHBondContact N-O 2.95Å; I57-A125 PolarHBondContact O-N 3.46Å; L59-A125 HydrophobicContact CD1-CB 4.18Å; L59-A125 HydrophobicContact CD2-CB 4.06Å; L59-A125 HydrophobicContact CG-CB 4.36Å
126K98.9Very high98.7Very high109 Ų10950 Ų5047%0.47428%0.278SS..EExtended strand (participates in β ladder)trans-64.8138.8164.7-178174.4179.5151.20110.3V50 D54V50-K126 HydrophobicContact CG1-CB 4.17Å; D54-K126 HydrophobicContact CB-CD 4.5Å; D54-K126 HydrophobicContact CB-CG 4.41Å; D54-K126 IonicContact OD1-NZ 3.01Å; D54-K126 PolarHBondContact OD1-NZ 3.37Å; D54-K126 WeakPolarHBondContact OD2-CD 3.2Å; D54-K126 WeakPolarHBondContact OD2-CE 3.49Å; D54-K126 IonicContact OD2-NZ 2.86Å; D54-K126 PolarHBondContact OD2-NZ 3.16Å
127I98.9Very high98.7Very high36 Ų3645.2 Ų45.219%0.18526%0.26CS..  trans-124.2176.9174.362.8163.5000111.4K55 I57 A129 L133 V136K55-I127 HydrophobicContact CB-CD1 4.14Å; K55-I127 HydrophobicContact CB-CG1 3.7Å; K55-I127 WeakPolarHBondContact O-CG1 3.33Å; K55-I127 PolarHBondContact O-N 3.44Å; I57-I127 HydrophobicContact CB-CG2 4.44Å; I57-I127 HydrophobicContact CD1-CD1 4.3Å; I57-I127 HydrophobicContact CD1-CG2 3.97Å; I57-I127 HydrophobicContact CG1-CD1 4.13Å; I57-I127 HydrophobicContact CG1-CG2 4.02Å; I127-A129 PolarHBondContact O-N 3.31Å; I127-L133 HydrophobicContact CD1-CD2 3.8Å; I127-V136 HydrophobicContact CD1-CG2 3.76Å
128D98.8Very high98.7Very high107 Ų10749.1 Ų49.157%0.57228%0.28SS*.  trans-59.1130.7177.4-178.7-8.6000111.1A130 S131D128-A130 PolarHBondContact O-N 2.76Å; D128-A130 PolarHBondContact OD1-N 2.99Å; D128-S131 WeakPolarHBondContact CB-OG 3.48Å; D128-S131 VanDerWaalsContact O-CB 3.26Å; D128-S131 WeakPolarHBondContact O-CB 3.44Å; D128-S131 PolarHBondContact O-N 3.36Å; D128-S131 PolarHBondContact O-OG 3.19Å
129A98.7Very high98.7Very high78 Ų7851.4 Ų51.465%0.64529%0.291SS*.THydrogen-bonded Turntrans-61.4-25179.400000113K55 I127K55-A129 VanDerWaalsContact CD-O 3.31Å; K55-A129 WeakPolarHBondContact CD-O 3.46Å; K55-A129 WeakPolarHBondContact CE-O 3.46Å; K55-A129 PolarHBondContact NZ-O 3.36Å; I127-A129 PolarHBondContact O-N 3.31Å
130A98.6Very high98.7Very high81 Ų8151.5 Ų51.567%0.66929%0.293SS*.THydrogen-bonded Turntrans-83.2-9.3176.700000113.6D128D128-A130 PolarHBondContact O-N 2.76Å; D128-A130 PolarHBondContact OD1-N 2.99Å
131S98.8Very high98.7Very high18 Ų1851.3 Ų51.313%0.12629%0.292CS..  trans-60.1133.4-172.6-550000113.4K55 D128 L133K55-S131 PolarHBondContact NZ-O 3.19Å; D128-S131 WeakPolarHBondContact CB-OG 3.48Å; D128-S131 VanDerWaalsContact O-CB 3.26Å; D128-S131 WeakPolarHBondContact O-CB 3.44Å; D128-S131 PolarHBondContact O-N 3.36Å; D128-S131 PolarHBondContact O-OG 3.19Å; S131-L133 PolarHBondContact O-N 3.06Å
132P98.7Very high98.7Very high56 Ų5650.1 Ų50.136%0.36429%0.288SS..  trans-73.7102.9169.827.6-30.7000110.3E134 K135 V136P132-E134 WeakPolarHBondContact CA-OE2 3.4Å; P132-E134 VanDerWaalsContact CB-OE1 3.27Å; P132-E134 WeakPolarHBondContact CB-OE1 3.28Å; P132-E134 PolarHBondContact O-N 3.37Å; P132-K135 HydrophobicContact CB-CD 4.39Å; P132-K135 HydrophobicContact CB-CG 4.32Å; P132-K135 HydrophobicContact CG-CB 4.27Å; P132-K135 HydrophobicContact CG-CD 4.12Å; P132-K135 HydrophobicContact CG-CG 4.34Å; P132-K135 PolarHBondContact O-N 2.97Å; P132-V136 WeakPolarHBondContact O-CG2 3.37Å; P132-V136 PolarHBondContact O-N 3.33Å
133L98.8Very high98.7Very high8 Ų854.1 Ų54.14%0.04230%0.304CS..Hα-helixtrans-62.2-28.8-171.6-64.9-174.4000113.2V8 A37 I39 K55 I127 S131 K135 V136 C137V8-L133 HydrophobicContact CB-CB 4.16Å; V8-L133 HydrophobicContact CB-CD1 3.74Å; V8-L133 HydrophobicContact CG1-CB 3.96Å; V8-L133 HydrophobicContact CG1-CD1 4.03Å; V8-L133 HydrophobicContact CG2-CD1 3.68Å; A37-L133 HydrophobicContact CB-CB 4.2Å; A37-L133 HydrophobicContact CB-CD2 3.83Å; I39-L133 HydrophobicContact CD1-CD1 4.4Å; I39-L133 HydrophobicContact CG1-CD1 3.92Å; K55-L133 HydrophobicContact CB-CD2 4.12Å; K55-L133 HydrophobicContact CD-CD1 4.27Å; K55-L133 HydrophobicContact CD-CD2 3.75Å; K55-L133 HydrophobicContact CD-CG 4.02Å; K55-L133 HydrophobicContact CG-CD1 4.19Å; K55-L133 HydrophobicContact CG-CD2 4.02Å; K55-L133 HydrophobicContact CG-CG 4.4Å; I127-L133 HydrophobicContact CD1-CD2 3.8Å; S131-L133 PolarHBondContact O-N 3.06Å; L133-K135 PolarHBondContact O-N 2.91Å; L133-V136 HydrophobicContact CD2-CG2 4.11Å; L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 2.65Å
134E98.6Very high98.7Very high121 Ų12156.1 Ų56.157%0.56532%0.318SS*.Hα-helixtrans-68.2-12.2175.677.5-71.2174.300114A9 P132A9-E134 HydrophobicContact CB-CB 4.38Å; P132-E134 WeakPolarHBondContact CA-OE2 3.4Å; P132-E134 VanDerWaalsContact CB-OE1 3.27Å; P132-E134 WeakPolarHBondContact CB-OE1 3.28Å; P132-E134 PolarHBondContact O-N 3.37Å
135K98.8Very high98.7Very high139 Ų13958.2 Ų58.260%0.60433%0.331SS*.Hα-helixtrans-110-48.2176.1-56.5-171.1-179-170.20111.7P132 L133 C137 L138P132-K135 HydrophobicContact CB-CD 4.39Å; P132-K135 HydrophobicContact CB-CG 4.32Å; P132-K135 HydrophobicContact CG-CB 4.27Å; P132-K135 HydrophobicContact CG-CD 4.12Å; P132-K135 HydrophobicContact CG-CG 4.34Å; P132-K135 PolarHBondContact O-N 2.97Å; L133-K135 PolarHBondContact O-N 2.91Å; K135-C137 PolarHBondContact O-N 2.74Å; K135-L138 PolarHBondContact O-N 2.9Å
136V98.8Very high98.7Very high25 Ų2557.3 Ų57.315%0.15233%0.325CS..Hα-helixtrans-72.8-9.8-173.9-58.20000113.2A37 I57 I127 P132 L133 L138 I139A37-V136 HydrophobicContact CB-CG2 4.35Å; I57-V136 WeakPolarHBondContact CD1-O 3.38Å; I127-V136 HydrophobicContact CD1-CG2 3.76Å; P132-V136 WeakPolarHBondContact O-CG2 3.37Å; P132-V136 PolarHBondContact O-N 3.33Å; L133-V136 HydrophobicContact CD2-CG2 4.11Å; V136-L138 PolarHBondContact O-N 3.35Å; V136-I139 HydrophobicContact CB-CD1 4.04Å; V136-I139 HydrophobicContact CG1-CD1 4.22Å; V136-I139 VanDerWaalsContact O-CB 3.27Å; V136-I139 WeakPolarHBondContact O-CB 3.49Å; V136-I139 PolarHBondContact O-N 3.26Å
137C98.6Very high98.7Very high6 Ų658.9 Ų58.94%0.04133%0.329CS..G310 helixtrans-53-33.217057.20000112.8A9 E35 A37 L133 K135 I139 G140A9-C137 HydrophobicContact CB-CB 4.31Å; E35-C137 VanDerWaalsContact CG-O 3.26Å; E35-C137 WeakPolarHBondContact CG-O 3.42Å; A37-C137 HydrophobicContact CB-CB 4.06Å; L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 2.65Å; K135-C137 PolarHBondContact O-N 2.74Å; C137-I139 PolarHBondContact O-N 2.86Å; C137-G140 PolarHBondContact O-N 2.98Å
138L98.8Very high98.7Very high84 Ų8458.1 Ų58.144%0.4433%0.33SS..G310 helixtrans-64.3-22.8178-57.2-179.6000113.3E35 K135 V136 G140 C141 G142 F143E35-L138 WeakPolarHBondContact OE1-CD2 3.33Å; K135-L138 PolarHBondContact O-N 2.9Å; V136-L138 PolarHBondContact O-N 3.35Å; L138-G140 PolarHBondContact O-N 3.15Å; L138-C141 CarbonylContact O-C 3.58Å; L138-C141 PolarHBondContact O-N 3.32Å; L138-G142 PolarHBondContact O-N 3.44Å; L138-F143 HydrophobicContact CB-CB 4.24Å; L138-F143 WeakPolarHBondContact O-CB 3.47Å; L138-F143 PolarHBondContact O-N 3.37Å; L138-F143 VanDerWaalsContact O-N 3.16Å
139I98.8Very high98.7Very high81 Ų8155.9 Ų55.942%0.41532%0.323SS..G310 helixtrans-66.9-23.8173.7-59.5177.9000110.3I57 V136 C137 C141 F143 S144I57-I139 HydrophobicContact CD1-CB 4.03Å; I57-I139 HydrophobicContact CD1-CG2 4.27Å; V136-I139 HydrophobicContact CB-CD1 4.04Å; V136-I139 HydrophobicContact CG1-CD1 4.22Å; V136-I139 VanDerWaalsContact O-CB 3.27Å; V136-I139 WeakPolarHBondContact O-CB 3.49Å; V136-I139 PolarHBondContact O-N 3.26Å; C137-I139 PolarHBondContact O-N 2.86Å; I139-C141 PolarHBondContact O-N 2.94Å; I139-F143 HydrophobicContact CG1-CD1 4.12Å; I139-S144 WeakPolarHBondContact CA-OG 3.39Å; I139-S144 WeakPolarHBondContact CG2-OG 3.49Å; I139-S144 WeakPolarHBondContact O-CB 3.49Å; I139-S144 PolarHBondContact O-OG 3Å
140G98.6Very high98.7Very high7 Ų754.1 Ų54.17%0.07231%0.308CS..G310 helixtrans-64.9-22.6177.400000114.4F60 C137 L138F60-G140 WeakPolarHBondContact CD1-O 3.2Å; F60-G140 VanDerWaalsContact CE1-O 3.31Å; F60-G140 WeakPolarHBondContact CE1-O 3.3Å; C137-G140 PolarHBondContact O-N 2.98Å; L138-G140 PolarHBondContact O-N 3.15Å
141C98.8Very high98.7Very high10 Ų1053.7 Ų53.77%0.06830%0.297CS..THydrogen-bonded Turntrans-150.3-80.7173.9-176.60000113.3H34 E35 F60 L138 I139 F143 S144 T145H34-C141 PolarHBondContact NE2-SG 3.19Å; H34-C141 VanDerWaalsContact NE2-SG 3.35Å; E35-C141 HydrophobicContact CB-CB 3.88Å; E35-C141 HydrophobicContact CG-CB 3.98Å; E35-C141 WeakPolarHBondContact OE2-CB 3.41Å; F60-C141 HydrophobicContact CD1-CB 4.43Å; F60-C141 HydrophobicContact CE1-CB 3.98Å; L138-C141 CarbonylContact O-C 3.58Å; L138-C141 PolarHBondContact O-N 3.32Å; I139-C141 PolarHBondContact O-N 2.94Å; C141-F143 PolarHBondContact O-N 3.02Å; C141-S144 PolarHBondContact O-N 3.41Å; C141-T145 VanDerWaalsContact O-CB 3.28Å; C141-T145 WeakPolarHBondContact O-CB 3.31Å; C141-T145 PolarHBondContact O-N 3.44Å; C141-T145 PolarHBondContact O-OG1 2.89Å
142G98.4Very high98.7Very high5 Ų557.8 Ų57.85%0.05231%0.313CS..Hα-helixtrans-61.7-51.1-158.600000114.2E35 L138 S144 T145 G146E35-G142 PolarHBondContact OE2-N 2.97Å; L138-G142 PolarHBondContact O-N 3.44Å; G142-S144 PolarHBondContact O-N 3.15Å; G142-T145 PolarHBondContact O-N 2.92Å; G142-G146 PolarHBondContact O-N 3.13Å
143F98.8Very high98.7Very high113 Ų11360.7 Ų60.750%0.49633%0.329SS..Hα-helixtrans-60.4-50.8179.8171-97.6000111.7L138 I139 C141 T145 G146 Y147L138-F143 HydrophobicContact CB-CB 4.24Å; L138-F143 WeakPolarHBondContact O-CB 3.47Å; L138-F143 PolarHBondContact O-N 3.37Å; L138-F143 VanDerWaalsContact O-N 3.16Å; I139-F143 HydrophobicContact CG1-CD1 4.12Å; C141-F143 PolarHBondContact O-N 3.02Å; F143-T145 VanDerWaalsContact C-N 3.27Å; F143-T145 PolarHBondContact O-N 3.16Å; F143-G146 PolarHBondContact O-N 2.71Å; F143-Y147 HydrophobicContact CZ-CG 4.4Å; F143-Y147 WeakPolarHBondContact O-CB 3.39Å; F143-Y147 PolarHBondContact O-N 3.19Å
144S98.8Very high98.7Very high48 Ų4863.6 Ų63.634%0.33635%0.354SS..Hα-helixtrans-63.7-35.4-178.8-62.70000112I139 C141 G142 G148I139-S144 WeakPolarHBondContact CA-OG 3.39Å; I139-S144 WeakPolarHBondContact CG2-OG 3.49Å; I139-S144 WeakPolarHBondContact O-CB 3.49Å; I139-S144 PolarHBondContact O-OG 3Å; C141-S144 PolarHBondContact O-N 3.41Å; G142-S144 PolarHBondContact O-N 3.15Å; S144-G148 WeakPolarHBondContact O-CA 3.46Å; S144-G148 PolarHBondContact O-N 2.87Å
145T98.8Very high98.7Very high55 Ų5563.3 Ų63.334%0.33735%0.351SS..Hα-helixtrans-67.5-52.8178.6-59.70000110.9C141 G142 F143 S149 V170C141-T145 VanDerWaalsContact O-CB 3.28Å; C141-T145 WeakPolarHBondContact O-CB 3.31Å; C141-T145 PolarHBondContact O-N 3.44Å; C141-T145 PolarHBondContact O-OG1 2.89Å; G142-T145 PolarHBondContact O-N 2.92Å; F143-T145 VanDerWaalsContact C-N 3.27Å; F143-T145 PolarHBondContact O-N 3.16Å; T145-S149 VanDerWaalsContact O-CB 3.27Å; T145-S149 WeakPolarHBondContact O-CB 3.47Å; T145-S149 PolarHBondContact O-N 3.1Å; T145-S149 PolarHBondContact O-OG 3.35Å; T145-V170 HydrophobicContact CG2-CG1 3.96Å
146G98.8Very high98.7Very high16 Ų1660.2 Ų60.217%0.16534%0.344CS..Hα-helixtrans-63.3-50.9-18000000112G142 F143 S149 A150 V170G142-G146 PolarHBondContact O-N 3.13Å; F143-G146 PolarHBondContact O-N 2.71Å; G146-S149 WeakPolarHBondContact O-CB 3.48Å; G146-S149 PolarHBondContact O-N 2.92Å; G146-A150 PolarHBondContact O-N 3.15Å; G146-V170 VanDerWaalsContact CA-OXT 3.31Å; G146-V170 WeakPolarHBondContact CA-OXT 3.24Å
147Y98.9Very high98.7Very high142 Ų14263.1 Ų63.156%0.55736%0.362SS*.Hα-helixtrans-62.1-49.3180-173.3-100.6000112F143 S149 A150 V151F143-Y147 HydrophobicContact CZ-CG 4.4Å; F143-Y147 WeakPolarHBondContact O-CB 3.39Å; F143-Y147 PolarHBondContact O-N 3.19Å; Y147-S149 VanDerWaalsContact C-N 3.29Å; Y147-S149 PolarHBondContact O-N 3.49Å; Y147-A150 PolarHBondContact O-N 3.13Å; Y147-V151 HydrophobicContact CD1-CG2 3.93Å; Y147-V151 HydrophobicContact CE1-CG1 4.14Å; Y147-V151 HydrophobicContact CE1-CG2 3.68Å; Y147-V151 HydrophobicContact CE2-CG1 4.07Å; Y147-V151 WeakPolarHBondContact O-CG2 3.48Å; Y147-V151 PolarHBondContact O-N 3.34Å
148G98.8Very high98.7Very high21 Ų2169.3 Ų69.322%0.21640%0.402CS..Hα-helixtrans-62.5-34.2178.900000113.3S144 A150 K152 V153S144-G148 WeakPolarHBondContact O-CA 3.46Å; S144-G148 PolarHBondContact O-N 2.87Å; G148-A150 VanDerWaalsContact C-N 3.31Å; G148-A150 PolarHBondContact O-N 3.19Å; G148-K152 WeakPolarHBondContact O-CA 3.32Å; G148-K152 WeakPolarHBondContact O-CB 3.38Å; G148-K152 PolarHBondContact O-N 2.88Å; G148-V153 PolarHBondContact O-N 3.33Å; G148-V153 VanDerWaalsContact O-N 3.15Å
149S98.8Very high98.6Very high60 Ų6069.6 Ų69.642%0.4243%0.425SS..Iπ-helixtrans-60.2-41.9175.2-64.50000111.6T145 G146 Y147 V153 A154T145-S149 VanDerWaalsContact O-CB 3.27Å; T145-S149 WeakPolarHBondContact O-CB 3.47Å; T145-S149 PolarHBondContact O-N 3.1Å; T145-S149 PolarHBondContact O-OG 3.35Å; G146-S149 WeakPolarHBondContact O-CB 3.48Å; G146-S149 PolarHBondContact O-N 2.92Å; Y147-S149 VanDerWaalsContact C-N 3.29Å; Y147-S149 PolarHBondContact O-N 3.49Å; S149-V153 WeakPolarHBondContact O-CB 3.47Å; S149-A154 WeakPolarHBondContact O-CB 3.47Å; S149-A154 PolarHBondContact O-N 3.42Å
150A98.8Very high98.6Very high40 Ų4068.2 Ų68.233%0.33142%0.422SS..Iπ-helixtrans-72.7-53.6177.400000112.5G146 Y147 G148 K155 V156G146-A150 PolarHBondContact O-N 3.15Å; Y147-A150 PolarHBondContact O-N 3.13Å; G148-A150 VanDerWaalsContact C-N 3.31Å; G148-A150 PolarHBondContact O-N 3.19Å; A150-K155 PolarHBondContact O-N 3.4Å; A150-V156 HydrophobicContact CB-CG2 4.26Å; A150-V156 PolarHBondContact O-N 3.49Å; A150-V156 VanDerWaalsContact O-N 3.15Å
151V98.7Very high98.7Very high73 Ų7374.8 Ų74.844%0.44246%0.461SS..Iπ-helixtrans-86.1-31.7-166.3-53.40000114Y147Y147-V151 HydrophobicContact CD1-CG2 3.93Å; Y147-V151 HydrophobicContact CE1-CG1 4.14Å; Y147-V151 HydrophobicContact CE1-CG2 3.68Å; Y147-V151 HydrophobicContact CE2-CG1 4.07Å; Y147-V151 WeakPolarHBondContact O-CG2 3.48Å; Y147-V151 PolarHBondContact O-N 3.34Å
152K98.4Very high98.6Very high104 Ų10478.1 Ų78.145%0.45248%0.484SS..Iπ-helixtrans-102.5-41.8-175.9-179.663.7173.9119.60112.3E74 G148 K155E74-K152 IonicContact OE1-NZ 3.9Å; E74-K152 PolarHBondContact OE1-NZ 3.37Å; E74-K152 IonicContact OE2-NZ 2.93Å; G148-K152 WeakPolarHBondContact O-CA 3.32Å; G148-K152 WeakPolarHBondContact O-CB 3.38Å; G148-K152 PolarHBondContact O-N 2.88Å; K152-K155 WeakPolarHBondContact O-CE 3.35Å; K152-K155 WeakPolarHBondContact O-CG 3.46Å
153V98.4Very high98.7Very high116 Ų11681.6 Ų81.670%0.70351%0.512SS*.Iπ-helixtrans-85-62.3-176.6-177.40000110.9G148 S149 K155G148-V153 PolarHBondContact O-N 3.33Å; G148-V153 VanDerWaalsContact O-N 3.15Å; S149-V153 WeakPolarHBondContact O-CB 3.47Å; V153-K155 VanDerWaalsContact C-N 3.31Å; V153-K155 PolarHBondContact O-N 2.78Å
154A98.5Very high98.7Very high70 Ų7081.4 Ų81.458%0.57952%0.52SS*.Iπ-helixtrans-73.3-24.2-18000000113S149 V156S149-A154 WeakPolarHBondContact O-CB 3.47Å; S149-A154 PolarHBondContact O-N 3.42Å; A154-V156 VanDerWaalsContact C-N 3.3Å; A154-V156 HydrophobicContact CB-CG2 4.2Å; A154-V156 PolarHBondContact O-N 2.78Å
155K98.4Very high98.7Very high115 Ų11588.5 Ų88.550%0.555%0.545SS..  trans54.346.7-179.2-59.1173.9-177.5170.80111.2E74 A150 K152 V153 T157E74-K155 IonicContact OE2-NZ 2.86Å; E74-K155 PolarHBondContact OE2-NZ 3.42Å; A150-K155 PolarHBondContact O-N 3.4Å; K152-K155 WeakPolarHBondContact O-CE 3.35Å; K152-K155 WeakPolarHBondContact O-CG 3.46Å; V153-K155 VanDerWaalsContact C-N 3.31Å; V153-K155 PolarHBondContact O-N 2.78Å; K155-T157 PolarHBondContact O-N 3.35Å
156V98.7Very high98.6Very high73 Ų7388.5 Ų88.544%0.44256%0.556SS.*  trans-48.7133.5179174.20000110.4A150 A154 S160A150-V156 HydrophobicContact CB-CG2 4.26Å; A150-V156 PolarHBondContact O-N 3.49Å; A150-V156 VanDerWaalsContact O-N 3.15Å; A154-V156 VanDerWaalsContact C-N 3.3Å; A154-V156 HydrophobicContact CB-CG2 4.2Å; A154-V156 PolarHBondContact O-N 2.78Å; V156-S160 WeakPolarHBondContact CG1-OG 3.34Å
157T98.6Very high98.6Very high87 Ų8795.7 Ų95.753%0.53459%0.59SS.*  trans-106.4152.2-174.756.20000112.1K155 G159 S160K155-T157 PolarHBondContact O-N 3.35Å; T157-G159 PolarHBondContact O-N 2.85Å; T157-S160 WeakPolarHBondContact O-CB 3.22Å; T157-S160 PolarHBondContact O-N 3.5Å; T157-S160 PolarHBondContact O-OG 2.9Å
158P98.6Very high98.5Very high136 Ų13692 Ų9288%0.88360%0.595SS**THydrogen-bonded Turntrans-54.4135.3172.4-25.735.1000112.1S160P158-S160 VanDerWaalsContact C-N 3.28Å; P158-S160 PolarHBondContact O-N 3.09Å
159G98.4Very high98.4Very high89 Ų8994.8 Ų94.892%0.91862%0.623SS**THydrogen-bonded Turntrans78.81.1-179.900000115.5T157T157-G159 PolarHBondContact O-N 2.85Å
160S98.7Very high98.2Very high53 Ų5397 Ų9737%0.37163%0.634SS.*  trans-74.3155.3172.962.70000112.4V156 T157 P158V156-S160 WeakPolarHBondContact CG1-OG 3.34Å; T157-S160 WeakPolarHBondContact O-CB 3.22Å; T157-S160 PolarHBondContact O-N 3.5Å; T157-S160 PolarHBondContact O-OG 2.9Å; P158-S160 VanDerWaalsContact C-N 3.28Å; P158-S160 PolarHBondContact O-N 3.09Å
161T98.8Very high98.2Very high145 Ų14599.9 Ų99.989%0.8965%0.649SS**  trans-100.2128.9169.1-58.80000108.7
162C98.6Very high98.2Very high80 Ų80101.3 Ų101.354%0.54166%0.66SS.*  trans-118.9153.2179.7-58.30000111.1
163A98.7Very high98.1Very high77 Ų77101.1 Ų101.164%0.63667%0.672SS**  trans-120.9133.316800000108.9F165A163-F165 HydrophobicContact CB-CE2 3.87Å
164V98.8Very high98.1Very high110 Ų110100.2 Ų100.267%0.66767%0.67SS**  trans-117.5121178.4-177.80000108
165F98.7Very high98.1Very high197 Ų197102.1 Ų102.186%0.86468%0.676SS**  trans-103.3114.5-179.7-69.3-95.8000109.7A163A163-F165 HydrophobicContact CB-CE2 3.87Å
166G97.8Very high98.1Very high55 Ų55101.3 Ų101.357%0.56769%0.688SS**  trans96.4128.8-169.600000111
167L98.3Very high98Very high166 Ų166103.3 Ų103.387%0.86971%0.705SS**  trans-122.245.9-177.1-58.8176.3000110
168G98Very high98Very high65 Ų65104.5 Ų104.567%0.6772%0.718SS**SBendtrans-83.7-156.4174.300000111.5
169G96.7Very high97.9Very high79 Ų79101.9 Ų101.981%0.81471%0.705SS**  trans-78.8-16.5176.100000115.3
170V93.9Very high97.9Very high107 Ų107103.1 Ų103.165%0.64869%0.685SS**  trans-90.60171.1-173.60000109.2T145 G146T145-V170 HydrophobicContact CG2-CG1 3.96Å; G146-V170 VanDerWaalsContact CA-OXT 3.31Å; G146-V170 WeakPolarHBondContact CA-OXT 3.24Å

Retrieved 170 of 170 residues in 250.7 ms (Link to these results)

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