A0A093HFK2_STRCA Loading...

Eukaryotic translation initiation factor 2 subunit 1

AlphaFold DB (A0A672V862), UniProt , Accession A0A093HFK2, Species STRCA (Struthio camelus australis), Gene n/a, Length 315 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
1M35.2Very low57.2Low232 Ų23271.7 Ų71.7100%1.14339%0.393SS*.  0117.30-72171.817700106.7G3M1-G3 PolarHBondContact O-N 3.46Å; M1-G3 VanDerWaalsContact O-N 3.1Å
2P40.4Very low57.9Low125 Ų12576.8 Ų76.881%0.81241%0.408SS*.  trans-64.9115.7178.527.9-28.8000106.6L4P2-L4 PolarHBondContact O-N 3.13Å
3G46.7Very low59Low50 Ų5075.1 Ų75.152%0.51540%0.395SS..  trans-68116.6179.500000107.9M1 S5M1-G3 PolarHBondContact O-N 3.46Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-S5 PolarHBondContact O-N 3.23Å; G3-S5 VanDerWaalsContact O-N 3.14Å
4L55.8Low60.4Low46 Ų4670 Ų7024%0.24137%0.369CS..  trans-55.5121.8169.1-7979.4000107.5P2 Y109 Y121 D124 L127P2-L4 PolarHBondContact O-N 3.13Å; L4-Y109 PolarHBondContact O-OH 2.99Å; L4-Y109 VanDerWaalsContact O-OH 3.13Å; L4-Y121 WeakPolarHBondContact CD2-O 3.24Å; L4-D124 WeakPolarHBondContact CA-OD1 3.41Å; L4-L127 HydrophobicContact CB-CD2 3.98Å; L4-L127 HydrophobicContact CD2-CB 4.44Å
5S58.9Low61.8Low36 Ų3675.3 Ų75.325%0.25239%0.391SS..  trans-129.4110.6-174.4-176.20000108.7G3 N40 Y109 D124G3-S5 PolarHBondContact O-N 3.23Å; G3-S5 VanDerWaalsContact O-N 3.14Å; S5-N40 WeakPolarHBondContact CB-OD1 3.47Å; S5-N40 PolarHBondContact O-OD1 3.35Å; S5-N40 PolarHBondContact OG-OD1 2.82Å; S5-Y109 WeakPolarHBondContact CA-OH 3.48Å; S5-D124 PolarHBondContact N-OD1 2.79Å
6C59.8Low63.2Low5 Ų575.7 Ų75.73%0.03440%0.397CS..  trans-110.8150.3175.2-171.20000110.6Y109 L127 F131C6-Y109 HydrophobicContact CB-CE2 4.34Å; C6-Y109 PolarHBondContact N-OH 3.44Å; C6-Y109 VanDerWaalsContact O-CE2 3.3Å; C6-Y109 WeakPolarHBondContact O-CE2 3.37Å; C6-L127 HydrophobicContact CB-CD2 3.62Å; C6-L127 HydrophobicContact CB-CG 3.81Å; C6-F131 HydrophobicContact CB-CD2 4.3Å; C6-F131 HydrophobicContact CB-CE2 4.29Å
7R66.9Low64.4Low37 Ų3780.5 Ų80.514%0.1442%0.417CS..  trans-64.1143.9169.355.2-175.6143.1153.5-8.3110.5Q10 N40 E128 W136R7-Q10 PolarHBondContact NH1-O 2.74Å; R7-N40 HydrophobicContact CB-CB 4.32Å; R7-E128 IonicContact CZ-OE1 3.38Å; R7-E128 IonicContact CZ-OE2 2.83Å; R7-E128 IonicContact NE-OE2 2.81Å; R7-E128 PolarHBondContact NE-OE2 3.09Å; R7-E128 IonicContact NH2-OE1 3.2Å; R7-E128 PolarHBondContact NH2-OE1 2.88Å; R7-E128 IonicContact NH2-OE2 3.11Å; R7-E128 PolarHBondContact NH2-OE2 2.93Å; R7-W136 HydrophobicContact CG-CH2 4.37Å; R7-W136 HydrophobicContact CG-CZ2 3.89Å
8F65.1Low65.5Low26 Ų2678.6 Ų78.611%0.11441%0.408CS..SBendtrans-78.1-37.3-177.1-74.6-141.1000110.6E38 K106 Y109 W136F8-E38 HydrophobicContact CB-CB 4.5Å; F8-E38 VanDerWaalsContact CB-O 3.26Å; F8-E38 WeakPolarHBondContact CB-O 3.34Å; F8-E38 PolarHBondContact N-O 3.3Å; F8-K106 HydrophobicContact CE1-CB 4.36Å; F8-Y109 AromaticContact CD2-CD2 3.71Å; F8-Y109 HydrophobicContact CD2-CD2 3.71Å; F8-Y109 HydrophobicContact CD2-CE2 4.24Å; F8-Y109 HydrophobicContact CD2-CG 4.22Å; F8-Y109 HydrophobicContact CE1-CG 4.21Å; F8-Y109 HydrophobicContact CE2-CD1 4.04Å; F8-Y109 AromaticContact CE2-CD2 3.31Å; F8-Y109 HydrophobicContact CE2-CD2 3.31Å; F8-Y109 HydrophobicContact CE2-CE1 4.45Å; F8-Y109 AromaticContact CE2-CE2 3.8Å; F8-Y109 HydrophobicContact CE2-CE2 3.8Å; F8-Y109 AromaticContact CE2-CG 3.46Å; F8-Y109 HydrophobicContact CE2-CG 3.46Å; F8-Y109 VanDerWaalsContact CE2-CG 3.46Å; F8-Y109 HydrophobicContact CG-CD2 4.49Å; F8-Y109 VanDerWaalsContact CZ-CB 3.48Å; F8-Y109 AromaticContact CZ-CD1 3.93Å; F8-Y109 HydrophobicContact CZ-CD1 3.93Å; F8-Y109 AromaticContact CZ-CD2 3.81Å; F8-Y109 HydrophobicContact CZ-CD2 3.81Å; F8-Y109 AromaticContact CZ-CG 3.45Å; F8-Y109 HydrophobicContact CZ-CG 3.45Å; F8-Y109 VanDerWaalsContact CZ-CG 3.45Å; F8-W136 PolarHBondContact O-NE1 3.03Å
9Y67.3Low66.5Low10 Ų1075.4 Ų75.44%0.03939%0.392CS..SBendtrans-108.3156.6-177.5-51.7-67.2000112.5H11 E38 Y39 K101 W136 P145Y9-H11 VanDerWaalsContact C-N 3.28Å; Y9-H11 PolarHBondContact O-N 3.4Å; Y9-E38 HydrophobicContact CD2-CB 4.33Å; Y9-E38 HydrophobicContact CE2-CB 3.77Å; Y9-E38 HydrophobicContact CE2-CG 4.25Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.27Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3.42Å; Y9-E38 PolarHBondContact OH-OE1 3.3Å; Y9-Y39 AromaticContact CD2-CE1 3.88Å; Y9-Y39 HydrophobicContact CD2-CE1 3.88Å; Y9-Y39 AromaticContact CD2-CE2 3.98Å; Y9-Y39 HydrophobicContact CD2-CE2 3.98Å; Y9-Y39 AromaticContact CD2-CZ 3.56Å; Y9-Y39 HydrophobicContact CE2-CE2 4.22Å; Y9-K101 WeakPolarHBondContact OH-CE 3.43Å; Y9-W136 VanDerWaalsContact C-NE1 3.33Å; Y9-P145 HydrophobicContact CD1-CB 4.18Å; Y9-P145 HydrophobicContact CE1-CB 4.01Å
10Q63.6Low67.5Low102 Ų10271.7 Ų71.748%0.47737%0.372SS..SBendtrans-60.5-39.7177.2-173.7176.110.200111.8R7 K12 W136R7-Q10 PolarHBondContact NH1-O 2.74Å; Q10-K12 PolarHBondContact O-N 2.84Å; Q10-W136 HydrophobicContact CB-CB 4.24Å; Q10-W136 HydrophobicContact CB-CD2 3.66Å; Q10-W136 HydrophobicContact CB-CE3 3.85Å; Q10-W136 HydrophobicContact CB-CG 3.8Å; Q10-W136 HydrophobicContact CB-CZ3 4.47Å; Q10-W136 HydrophobicContact CG-CD2 4.03Å; Q10-W136 HydrophobicContact CG-CE3 3.67Å; Q10-W136 HydrophobicContact CG-CG 4.42Å; Q10-W136 HydrophobicContact CG-CZ3 4.17Å
11H69Low68.4Low120 Ų12068.6 Ų68.656%0.55636%0.356SS*.SBendtrans-71.3129.4177.6-65-74.6000111.1Y9 F13 Y39Y9-H11 VanDerWaalsContact C-N 3.28Å; Y9-H11 PolarHBondContact O-N 3.4Å; H11-F13 PolarHBondContact O-N 3.41Å; H11-Y39 WeakPolarHBondContact O-CD1 3.44Å; H11-Y39 WeakPolarHBondContact O-CE1 3.23Å
12K66.4Low71Confident133 Ų13357.5 Ų57.558%0.57830%0.302SS*.SBendtrans-67.3-25.7177.4-70.2-176.2179.4-176.50113Q10 I42Q10-K12 PolarHBondContact O-N 2.84Å; K12-I42 WeakPolarHBondContact O-CD1 3.47Å
13F72.4Confident73.3Confident54 Ų5453.5 Ų53.524%0.23727%0.274CS..SBendtrans-131.8144.6-179.5-62.2-80.7000109.7H11 I42 V76 K78 I83H11-F13 PolarHBondContact O-N 3.41Å; F13-I42 HydrophobicContact CD1-CD1 4.32Å; F13-I42 HydrophobicContact CE1-CD1 4.3Å; F13-V76 HydrophobicContact CB-CG1 3.93Å; F13-V76 HydrophobicContact CD1-CG1 4.23Å; F13-V76 HydrophobicContact CG-CG1 4.22Å; F13-K78 HydrophobicContact CD2-CG 4.39Å; F13-I83 HydrophobicContact CD1-CD1 4.37Å
14P78.4Confident75.3Confident4 Ų451.1 Ų51.13%0.02625%0.249CC..PPolyproline II helixtrans-65.2160.9171.529-35.1000111.3V20 L36 Y39 V73 I83P14-V20 HydrophobicContact CB-CG1 4.24Å; P14-L36 HydrophobicContact CG-CD2 3.88Å; P14-Y39 WeakPolarHBondContact CA-OH 3.41Å; P14-Y39 HydrophobicContact CB-CE1 4.4Å; P14-Y39 HydrophobicContact CB-CE2 3.82Å; P14-Y39 HydrophobicContact CG-CE2 4.26Å; P14-V73 HydrophobicContact CB-CG2 3.94Å; P14-V73 HydrophobicContact CG-CG1 4.43Å; P14-V73 HydrophobicContact CG-CG2 3.78Å; P14-I83 HydrophobicContact CG-CD1 4.18Å
15E81.3Confident76.9Confident149 Ų14956.2 Ų56.270%0.69627%0.265SS*.PPolyproline II helixtrans-84.6161.3171-64.8-166.1113.600111.4D18 V73E15-D18 WeakPolarHBondContact O-CB 3.46Å; E15-D18 PolarHBondContact O-N 3.49Å; E15-V73 WeakPolarHBondContact O-CB 3.48Å
16V84.6Confident78.2Confident82 Ų8256.8 Ų56.850%0.49727%0.269SS..THydrogen-bonded Turntrans-66.3141.8175.2177.80000108.8D18 I74V16-D18 PolarHBondContact O-N 3.41Å; V16-I74 WeakPolarHBondContact CG1-O 3.41Å
17E83Confident79.4Confident157 Ų15758.9 Ų58.973%0.73428%0.28SS*.THydrogen-bonded Turntrans71.9-0.2-173.3-57.8-178106.600116.1V73E17-V73 WeakPolarHBondContact CA-O 3.45Å; E17-V73 PolarHBondContact N-O 2.92Å
18D84.3Confident80.3Confident47 Ų4759.1 Ų59.125%0.25129%0.289SS..  trans-72.7144.6175-161.420.4000111.6E15 V16 V72 V73 K101E15-D18 WeakPolarHBondContact O-CB 3.46Å; E15-D18 PolarHBondContact O-N 3.49Å; V16-D18 PolarHBondContact O-N 3.41Å; D18-V72 WeakPolarHBondContact O-CA 3.21Å; D18-V73 PolarHBondContact O-N 3.34Å; D18-K101 IonicContact OD1-NZ 2.72Å; D18-K101 IonicContact OD2-NZ 2.89Å
19V84.8Confident80.9Confident17 Ų1767 Ų6710%0.10333%0.326CS..EExtended strand (participates in β ladder)trans-99.2120.4178.6-167.90000108.5V71 V72 E94 C98V19-V71 WeakPolarHBondContact CA-O 3.47Å; V19-V72 HydrophobicContact CG1-CG2 4.49Å; V19-V72 HydrophobicContact CG2-CG2 3.78Å; V19-E94 HydrophobicContact CG2-CB 4.36Å; V19-C98 HydrophobicContact CB-CB 4.4Å; V19-C98 HydrophobicContact CG1-CB 3.77Å
20V85.9Confident81.3Confident1 Ų174.1 Ų74.11%0.00636%0.362CS..EExtended strand (participates in β ladder)trans-128.5151-173.9-62.80000111.3P14 V22 L36 E38 Y39 V71 V73 L85P14-V20 HydrophobicContact CB-CG1 4.24Å; V20-V22 HydrophobicContact CG2-CG1 4.09Å; V20-L36 HydrophobicContact CG2-CD2 4.13Å; V20-L36 HydrophobicContact CG2-CG 4.45Å; V20-E38 WeakPolarHBondContact CA-OE2 3.39Å; V20-Y39 HydrophobicContact CG1-CE2 3.98Å; V20-V71 HydrophobicContact CG2-CG2 4.12Å; V20-V71 PolarHBondContact N-O 2.93Å; V20-V71 PolarHBondContact O-N 3.37Å; V20-V73 HydrophobicContact CG1-CG2 4.44Å; V20-V73 HydrophobicContact CG2-CG2 3.96Å; V20-L85 HydrophobicContact CG2-CD2 4.26Å
21M86.8Confident82.2Confident7 Ų769.3 Ų69.33%0.03434%0.34CS..EExtended strand (participates in β ladder)trans-89.4124.2175.3-17372.58400110L37 E38 N68 E99 F102M21-L37 HydrophobicContact CG-CD1 4.34Å; M21-E38 PolarHBondContact N-OE2 2.86Å; M21-N68 HydrophobicContact CG-CB 4.18Å; M21-N68 HydrophobicContact SD-CB 3.78Å; M21-E99 HydrophobicContact CE-CB 4.17Å; M21-E99 HydrophobicContact CE-CG 4.16Å; M21-F102 HydrophobicContact CB-CB 4.11Å; M21-F102 HydrophobicContact CB-CD1 4.4Å; M21-F102 HydrophobicContact CB-CD2 3.63Å; M21-F102 HydrophobicContact CB-CE2 4.14Å; M21-F102 HydrophobicContact CB-CG 3.78Å; M21-F102 HydrophobicContact CE-CB 4.38Å; M21-F102 HydrophobicContact CE-CD1 4.22Å; M21-F102 HydrophobicContact CE-CG 4.41Å; M21-F102 HydrophobicContact CG-CD1 4.04Å; M21-F102 HydrophobicContact CG-CD2 4.04Å; M21-F102 HydrophobicContact CG-CE1 4.25Å; M21-F102 HydrophobicContact CG-CE2 4.25Å; M21-F102 HydrophobicContact CG-CG 3.93Å; M21-F102 HydrophobicContact CG-CZ 4.35Å
22V89.1Confident83Confident0 Ų063.7 Ų63.70%031%0.314CS..EExtended strand (participates in β ladder)trans-121.8146.8-178.8-57.40000111.9V20 V34 S35 L36 N68 E69 V71 L85V20-V22 HydrophobicContact CG2-CG1 4.09Å; V22-V34 HydrophobicContact CB-CB 3.93Å; V22-V34 HydrophobicContact CB-CG2 3.86Å; V22-V34 HydrophobicContact CG1-CG2 4.14Å; V22-V34 HydrophobicContact CG2-CB 3.86Å; V22-V34 HydrophobicContact CG2-CG1 4.13Å; V22-V34 HydrophobicContact CG2-CG2 3.84Å; V22-S35 WeakPolarHBondContact CA-O 3.19Å; V22-L36 HydrophobicContact CG1-CD1 4.24Å; V22-L36 HydrophobicContact CG1-CG 3.88Å; V22-N68 CarbonylContact O-C 3.55Å; V22-N68 VanDerWaalsContact O-CA 3.23Å; V22-N68 WeakPolarHBondContact O-CA 3.32Å; V22-E69 HydrophobicContact CG2-CB 4.44Å; V22-E69 WeakPolarHBondContact CG2-O 3.44Å; V22-E69 PolarHBondContact N-O 3.3Å; V22-E69 PolarHBondContact O-N 2.63Å; V22-V71 HydrophobicContact CB-CG2 4.14Å; V22-V71 HydrophobicContact CG1-CG2 3.46Å; V22-V71 VanDerWaalsContact CG1-CG2 3.46Å; V22-V71 HydrophobicContact CG2-CB 4.46Å; V22-V71 HydrophobicContact CG2-CG1 4.02Å; V22-V71 HydrophobicContact CG2-CG2 3.55Å; V22-L85 HydrophobicContact CG1-CD1 4.13Å
23N89.7Confident84.1Confident40 Ų4061.9 Ų61.921%0.21430%0.304CS..EExtended strand (participates in β ladder)trans-99.7133.1170.3-170.6-97.1000110.3R25 V34 S35 L37 G66 N68N23-R25 PolarHBondContact O-N 3.4Å; N23-V34 CarbonylContact O-C 3.59Å; N23-V34 WeakPolarHBondContact O-CA 2.93Å; N23-V34 WeakPolarHBondContact O-CB 3.45Å; N23-S35 PolarHBondContact N-O 3.25Å; N23-S35 PolarHBondContact O-N 2.88Å; N23-L37 HydrophobicContact CB-CD1 3.99Å; N23-L37 HydrophobicContact CB-CD2 4.47Å; N23-L37 HydrophobicContact CB-CG 4.17Å; N23-G66 VanDerWaalsContact ND2-C 3.35Å; N23-G66 PolarHBondContact ND2-O 3.47Å; N23-N68 PolarHBondContact ND2-OD1 3.2Å
24V89.1Confident84.9Confident0 Ų059.4 Ų59.40%029%0.293CS..EExtended strand (participates in β ladder)trans-81.1116-179.6179.70000110.4I27 V34 I63 G66 R67 E69V24-I27 HydrophobicContact CG1-CG1 4.17Å; V24-V34 HydrophobicContact CB-CG1 4.31Å; V24-V34 HydrophobicContact CG1-CG1 4.47Å; V24-V34 HydrophobicContact CG2-CG1 3.86Å; V24-I63 HydrophobicContact CB-CG2 3.95Å; V24-I63 HydrophobicContact CG1-CG2 3.56Å; V24-I63 HydrophobicContact CG2-CG2 3.42Å; V24-I63 VanDerWaalsContact CG2-CG2 3.42Å; V24-G66 PolarHBondContact O-N 3.02Å; V24-R67 PolarHBondContact N-O 2.99Å; V24-R67 VanDerWaalsContact N-O 3.07Å; V24-E69 HydrophobicContact CG2-CG 4.35Å
25R88.6Confident85.3Confident153 Ų15359.9 Ų59.958%0.57730%0.297SS*.EExtended strand (participates in β ladder)trans-89.4-48.5-178.4-168.4-174.7-173.5-179.56.5112.1N23 Y33 E43 I65N23-R25 PolarHBondContact O-N 3.4Å; R25-Y33 PolarHBondContact N-O 2.92Å; R25-E43 IonicContact CZ-OE1 2.81Å; R25-E43 IonicContact NH1-OE1 2.68Å; R25-E43 PolarHBondContact NH1-OE1 3.36Å; R25-I65 WeakPolarHBondContact O-CG2 3.24Å
26S86.8Confident85.5Confident49 Ų4952.8 Ų52.834%0.34326%0.264SS..EExtended strand (participates in β ladder)trans-150.9155.5-179.665.40000111.4Y33S26-Y33 PolarHBondContact N-O 2.88Å; S26-Y33 VanDerWaalsContact N-O 3.16Å; S26-Y33 PolarHBondContact O-N 2.88Å; S26-Y33 WeakPolarHBondContact OG-CB 3.44Å
27I85.3Confident85.2Confident49 Ų4951 Ų5125%0.25125%0.251SS..EExtended strand (participates in β ladder)trans-118.1124.4178.1-55.3173.4000106.7V24 I59 I63 I65V24-I27 HydrophobicContact CG1-CG1 4.17Å; I27-I59 HydrophobicContact CG2-CG1 4.05Å; I27-I59 HydrophobicContact CG2-CG2 4.41Å; I27-I63 HydrophobicContact CD1-CG2 4.18Å; I27-I65 HydrophobicContact CD1-CG1 4.15Å; I27-I65 HydrophobicContact CG1-CG1 4.18Å
28A84.8Confident84.8Confident41 Ų4143.5 Ų43.534%0.33922%0.216SC..  trans-116.2170.3177.300000110.6M30 G31 Y33A28-M30 VanDerWaalsContact C-N 3.27Å; A28-M30 PolarHBondContact O-N 3.32Å; A28-G31 CarbonylContact C-O 3.53Å; A28-G31 WeakPolarHBondContact CA-O 3.43Å; A28-G31 PolarHBondContact N-O 2.74Å; A28-G31 PolarHBondContact O-N 2.99Å; A28-Y33 HydrophobicContact CB-CD2 4.23Å; A28-Y33 HydrophobicContact CB-CE2 3.82Å
29E77Confident84.3Confident191 Ų19141.8 Ų41.889%0.89321%0.206SC*.SBendtrans-65.9-29.8-179.2-66.6-176.398.800112.9
30M77.8Confident83.8Confident160 Ų16044.7 Ų44.779%0.78822%0.221SC*.SBendtrans-91.4-18179.4-66-161.5170.500114.3A28 M45 L48A28-M30 VanDerWaalsContact C-N 3.27Å; A28-M30 PolarHBondContact O-N 3.32Å; M30-M45 HydrophobicContact CB-CE 4.19Å; M30-L48 VanDerWaalsContact C-CD1 3.46Å
31G82Confident83.4Confident1 Ų148.2 Ų48.21%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-177.4171.1-170.700000113.7A28 I46 L48A28-G31 CarbonylContact C-O 3.53Å; A28-G31 WeakPolarHBondContact CA-O 3.43Å; A28-G31 PolarHBondContact N-O 2.74Å; A28-G31 PolarHBondContact O-N 2.99Å; G31-I46 CarbonylContact C-O 3.56Å; G31-I46 WeakPolarHBondContact CA-O 3.4Å; G31-L48 VanDerWaalsContact CA-CD1 3.43Å
32A85.9Confident83.2Confident2 Ų250 Ų502%0.01725%0.249CC..EExtended strand (participates in β ladder)trans-101.4126.6163.600000109.2I46A32-I46 HydrophobicContact CB-CB 4.43Å; A32-I46 PolarHBondContact N-O 2.72Å; A32-I46 PolarHBondContact O-N 2.93Å
33Y89.1Confident83Confident96 Ų9654.9 Ų54.938%0.37627%0.272SS..EExtended strand (participates in β ladder)trans-85.8126.9170.7-66.7-84.6000108.9R25 S26 A28R25-Y33 PolarHBondContact N-O 2.92Å; S26-Y33 PolarHBondContact N-O 2.88Å; S26-Y33 VanDerWaalsContact N-O 3.16Å; S26-Y33 PolarHBondContact O-N 2.88Å; S26-Y33 WeakPolarHBondContact OG-CB 3.44Å; A28-Y33 HydrophobicContact CB-CD2 4.23Å; A28-Y33 HydrophobicContact CB-CE2 3.82Å
34V89.5Confident82.9Confident1 Ų153.1 Ų53.11%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-128.3155.9-176.9-55.40000109.7V22 N23 V24 E43 G44 I46 L85V22-V34 HydrophobicContact CB-CB 3.93Å; V22-V34 HydrophobicContact CB-CG2 3.86Å; V22-V34 HydrophobicContact CG1-CG2 4.14Å; V22-V34 HydrophobicContact CG2-CB 3.86Å; V22-V34 HydrophobicContact CG2-CG1 4.13Å; V22-V34 HydrophobicContact CG2-CG2 3.84Å; N23-V34 CarbonylContact O-C 3.59Å; N23-V34 WeakPolarHBondContact O-CA 2.93Å; N23-V34 WeakPolarHBondContact O-CB 3.45Å; V24-V34 HydrophobicContact CB-CG1 4.31Å; V24-V34 HydrophobicContact CG1-CG1 4.47Å; V24-V34 HydrophobicContact CG2-CG1 3.86Å; V34-E43 WeakPolarHBondContact O-CA 3.39Å; V34-G44 PolarHBondContact N-O 3.41Å; V34-G44 PolarHBondContact O-N 3.2Å; V34-I46 HydrophobicContact CG1-CD1 3.52Å; V34-I46 HydrophobicContact CG1-CG1 4.15Å; V34-I46 HydrophobicContact CG2-CD1 4.2Å; V34-I46 HydrophobicContact CG2-CG1 4.2Å; V34-L85 HydrophobicContact CG2-CD1 3.21Å
35S87.3Confident82.9Confident14 Ų1455.3 Ų55.310%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-113.4127.5176.4-62.10000109V22 N23 L37 I42V22-S35 WeakPolarHBondContact CA-O 3.19Å; N23-S35 PolarHBondContact N-O 3.25Å; N23-S35 PolarHBondContact O-N 2.88Å; S35-L37 PolarHBondContact O-N 2.99Å; S35-I42 CarbonylContact C-O 3.6Å; S35-I42 WeakPolarHBondContact CA-O 3.24Å
36L85.1Confident82.9Confident1 Ų148 Ų481%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-76.7106.1176.4-73.475.8000108.9P14 V20 V22 E38 Y39 N41 I42 I83 L85P14-L36 HydrophobicContact CG-CD2 3.88Å; V20-L36 HydrophobicContact CG2-CD2 4.13Å; V20-L36 HydrophobicContact CG2-CG 4.45Å; V22-L36 HydrophobicContact CG1-CD1 4.24Å; V22-L36 HydrophobicContact CG1-CG 3.88Å; L36-E38 PolarHBondContact O-N 3.13Å; L36-Y39 HydrophobicContact CB-CD2 4.32Å; L36-Y39 HydrophobicContact CD2-CD2 3.92Å; L36-Y39 PolarHBondContact O-N 3.36Å; L36-N41 WeakPolarHBondContact O-CA 3.38Å; L36-N41 PolarHBondContact O-N 3.37Å; L36-I42 WeakPolarHBondContact CD1-O 3.43Å; L36-I42 PolarHBondContact N-O 3.5Å; L36-I83 HydrophobicContact CD1-CD1 4.12Å; L36-I83 HydrophobicContact CD2-CD1 3.82Å; L36-L85 HydrophobicContact CD1-CD1 4.11Å
37L78.4Confident82.8Confident43 Ų4349 Ų4923%0.22525%0.248CC..G310 helixtrans-61.6-34-177.7-74.2149.9000112.2M21 N23 S35 F102M21-L37 HydrophobicContact CG-CD1 4.34Å; N23-L37 HydrophobicContact CB-CD1 3.99Å; N23-L37 HydrophobicContact CB-CD2 4.47Å; N23-L37 HydrophobicContact CB-CG 4.17Å; S35-L37 PolarHBondContact O-N 2.99Å; L37-F102 HydrophobicContact CB-CE2 3.73Å; L37-F102 HydrophobicContact CB-CZ 4.01Å; L37-F102 HydrophobicContact CD1-CE2 4.23Å; L37-F102 HydrophobicContact CD1-CZ 3.87Å; L37-F102 HydrophobicContact CG-CZ 4.47Å
38E72.9Confident82.6Confident0 Ų049.6 Ų49.60%025%0.251CS..G310 helixtrans-75.3-24.4-175.7-62.5173.787.200113.1F8 Y9 V20 M21 L36 F102F8-E38 HydrophobicContact CB-CB 4.5Å; F8-E38 VanDerWaalsContact CB-O 3.26Å; F8-E38 WeakPolarHBondContact CB-O 3.34Å; F8-E38 PolarHBondContact N-O 3.3Å; Y9-E38 HydrophobicContact CD2-CB 4.33Å; Y9-E38 HydrophobicContact CE2-CB 3.77Å; Y9-E38 HydrophobicContact CE2-CG 4.25Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.27Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3.42Å; Y9-E38 PolarHBondContact OH-OE1 3.3Å; V20-E38 WeakPolarHBondContact CA-OE2 3.39Å; M21-E38 PolarHBondContact N-OE2 2.86Å; L36-E38 PolarHBondContact O-N 3.13Å; E38-F102 HydrophobicContact CG-CD2 3.62Å; E38-F102 HydrophobicContact CG-CE2 3.89Å
39Y73.8Confident82.5Confident11 Ų1152.3 Ų52.34%0.04327%0.268CS..G310 helixtrans-113.944.3-173.9-64.4-91.8000111.4Y9 H11 P14 V20 L36 N41 I42Y9-Y39 AromaticContact CD2-CE1 3.88Å; Y9-Y39 HydrophobicContact CD2-CE1 3.88Å; Y9-Y39 AromaticContact CD2-CE2 3.98Å; Y9-Y39 HydrophobicContact CD2-CE2 3.98Å; Y9-Y39 AromaticContact CD2-CZ 3.56Å; Y9-Y39 HydrophobicContact CE2-CE2 4.22Å; H11-Y39 WeakPolarHBondContact O-CD1 3.44Å; H11-Y39 WeakPolarHBondContact O-CE1 3.23Å; P14-Y39 WeakPolarHBondContact CA-OH 3.41Å; P14-Y39 HydrophobicContact CB-CE1 4.4Å; P14-Y39 HydrophobicContact CB-CE2 3.82Å; P14-Y39 HydrophobicContact CG-CE2 4.26Å; V20-Y39 HydrophobicContact CG1-CE2 3.98Å; L36-Y39 HydrophobicContact CB-CD2 4.32Å; L36-Y39 HydrophobicContact CD2-CD2 3.92Å; L36-Y39 PolarHBondContact O-N 3.36Å; Y39-N41 PolarHBondContact O-N 2.97Å; Y39-I42 VanDerWaalsContact O-CD1 3.23Å; Y39-I42 WeakPolarHBondContact O-CD1 3.48Å; Y39-I42 WeakPolarHBondContact O-CG1 3.31Å; Y39-I42 PolarHBondContact O-N 3.04Å
40N74.9Confident82.8Confident79 Ų7944.4 Ų44.442%0.42223%0.231SC..THydrogen-bonded Turntrans60.338.3178.6-162.729.4000114.4S5 R7 I42S5-N40 WeakPolarHBondContact CB-OD1 3.47Å; S5-N40 PolarHBondContact O-OD1 3.35Å; S5-N40 PolarHBondContact OG-OD1 2.82Å; R7-N40 HydrophobicContact CB-CB 4.32Å; N40-I42 VanDerWaalsContact C-N 3.28Å; N40-I42 PolarHBondContact O-N 2.95Å
41N77.1Confident83Confident75 Ų7537 Ų3740%0.40120%0.195SC..THydrogen-bonded Turntrans60.630.5177.8-52.4-72.7000114.6L36 Y39 E43L36-N41 WeakPolarHBondContact O-CA 3.38Å; L36-N41 PolarHBondContact O-N 3.37Å; Y39-N41 PolarHBondContact O-N 2.97Å; N41-E43 PolarHBondContact O-N 3.24Å
42I82.8Confident82.7Confident43 Ų4338.8 Ų38.822%0.22121%0.207CC..EExtended strand (participates in β ladder)trans-54139.7170.2-68.3163.7000109.4K12 F13 S35 L36 Y39 N40 I83K12-I42 WeakPolarHBondContact O-CD1 3.47Å; F13-I42 HydrophobicContact CD1-CD1 4.32Å; F13-I42 HydrophobicContact CE1-CD1 4.3Å; S35-I42 CarbonylContact C-O 3.6Å; S35-I42 WeakPolarHBondContact CA-O 3.24Å; L36-I42 WeakPolarHBondContact CD1-O 3.43Å; L36-I42 PolarHBondContact N-O 3.5Å; Y39-I42 VanDerWaalsContact O-CD1 3.23Å; Y39-I42 WeakPolarHBondContact O-CD1 3.48Å; Y39-I42 WeakPolarHBondContact O-CG1 3.31Å; Y39-I42 PolarHBondContact O-N 3.04Å; N40-I42 VanDerWaalsContact C-N 3.28Å; N40-I42 PolarHBondContact O-N 2.95Å; I42-I83 HydrophobicContact CG2-CD1 3.73Å
43E85.6Confident82Confident103 Ų10347.3 Ų47.348%0.48124%0.239SC..EExtended strand (participates in β ladder)trans-78.9131.9-179.7-59.2-171.6118.200110.5R25 V34 N41R25-E43 IonicContact CZ-OE1 2.81Å; R25-E43 IonicContact NH1-OE1 2.68Å; R25-E43 PolarHBondContact NH1-OE1 3.36Å; V34-E43 WeakPolarHBondContact O-CA 3.39Å; N41-E43 PolarHBondContact O-N 3.24Å
44G87.4Confident81.4Confident4 Ų452.8 Ų52.84%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-126.2159.617300000110.6V34 I83V34-G44 PolarHBondContact N-O 3.41Å; V34-G44 PolarHBondContact O-N 3.2Å; G44-I83 WeakPolarHBondContact CA-O 3.34Å
45M88.5Confident80.6Confident46 Ų4664.7 Ų64.723%0.22730%0.303CS..EExtended strand (participates in β ladder)trans-122.3130.2179.5-176177.4176.700109.9M30 I83 L85M30-M45 HydrophobicContact CB-CE 4.19Å; M45-I83 PolarHBondContact N-O 3.34Å; M45-L85 PolarHBondContact O-N 2.89Å
46I88.8Confident79.8Confident0 Ų067 Ų670%031%0.314CS..EExtended strand (participates in β ladder)trans-103.8119.5169.9-54.5165.3000107.9G31 A32 V34 L51 I63 V71 L85G31-I46 CarbonylContact C-O 3.56Å; G31-I46 WeakPolarHBondContact CA-O 3.4Å; A32-I46 HydrophobicContact CB-CB 4.43Å; A32-I46 PolarHBondContact N-O 2.72Å; A32-I46 PolarHBondContact O-N 2.93Å; V34-I46 HydrophobicContact CG1-CD1 3.52Å; V34-I46 HydrophobicContact CG1-CG1 4.15Å; V34-I46 HydrophobicContact CG2-CD1 4.2Å; V34-I46 HydrophobicContact CG2-CG1 4.2Å; I46-L51 HydrophobicContact CB-CD1 4.45Å; I46-L51 HydrophobicContact CG2-CD1 3.66Å; I46-I63 HydrophobicContact CD1-CD1 4.4Å; I46-V71 HydrophobicContact CD1-CG1 3.81Å; I46-V71 HydrophobicContact CG1-CG1 4.47Å; I46-L85 HydrophobicContact CG1-CB 3.66Å; I46-L85 HydrophobicContact CG1-CD1 4.34Å
47L85.8Confident79.1Confident69 Ų6979.3 Ų79.336%0.36136%0.36SS..EExtended strand (participates in β ladder)trans-68.6143.8172.6-75.289.7000110.7S49 E50 L51L47-S49 PolarHBondContact O-N 3.03Å; L47-E50 CarbonylContact O-C 3.46Å; L47-E50 PolarHBondContact O-N 3.43Å; L47-L51 PolarHBondContact O-N 3.24Å
48L80.6Confident78.8Confident61 Ų6180.4 Ų80.432%0.31937%0.372SS..G310 helixtrans-56.1-36.3176.4-92.774.3000112.5M30 G31 E50 L51 I59M30-L48 VanDerWaalsContact C-CD1 3.46Å; G31-L48 VanDerWaalsContact CA-CD1 3.43Å; L48-E50 PolarHBondContact O-N 2.98Å; L48-L51 WeakPolarHBondContact O-CB 3.39Å; L48-L51 PolarHBondContact O-N 2.97Å; L48-I59 HydrophobicContact CG-CD1 4.32Å
49S82.6Confident78.7Confident99 Ų9982.4 Ų82.469%0.69238%0.382SS*.G310 helixtrans-66.2-22.2177.5-62.70000113.4L47L47-S49 PolarHBondContact O-N 3.03Å
50E83.7Confident78.7Confident25 Ų2586.7 Ų86.712%0.11741%0.405CS..G310 helixtrans-10312.6179.4-69.7-66.4176.500112.7L47 L48 I74 S86 K87 R88 R89L47-E50 CarbonylContact O-C 3.46Å; L47-E50 PolarHBondContact O-N 3.43Å; L48-E50 PolarHBondContact O-N 2.98Å; E50-I74 HydrophobicContact CG-CD1 4Å; E50-S86 PolarHBondContact OE2-OG 3.3Å; E50-K87 PolarHBondContact O-N 3.44Å; E50-R88 WeakPolarHBondContact O-CB 3.34Å; E50-R88 PolarHBondContact O-N 3.05Å; E50-R88 IonicContact OE1-CZ 3.51Å; E50-R88 IonicContact OE1-NE 2.68Å; E50-R88 IonicContact OE1-NH2 3.24Å; E50-R88 PolarHBondContact OE1-NH2 2.88Å; E50-R88 WeakPolarHBondContact OE2-CB 3.25Å; E50-R88 IonicContact OE2-CZ 3.53Å; E50-R88 IonicContact OE2-NE 3.76Å; E50-R88 PolarHBondContact OE2-NE 3.13Å; E50-R88 IonicContact OE2-NH2 3.65Å; E50-R88 PolarHBondContact OE2-NH2 3.44Å; E50-R89 IonicContact OE1-NE 3.06Å; E50-R89 IonicContact OE1-NH2 2.72Å
51L80.9Confident78.8Confident5 Ų592 Ų923%0.02642%0.424CS..SBendtrans-83.1-37.3177.8-143.985.9000113.9I46 L47 L48 I59 L62 I63I46-L51 HydrophobicContact CB-CD1 4.45Å; I46-L51 HydrophobicContact CG2-CD1 3.66Å; L47-L51 PolarHBondContact O-N 3.24Å; L48-L51 WeakPolarHBondContact O-CB 3.39Å; L48-L51 PolarHBondContact O-N 2.97Å; L51-I59 HydrophobicContact CD2-CD1 3.25Å; L51-I59 HydrophobicContact CD2-CG1 4.36Å; L51-L62 HydrophobicContact CD2-CB 4.07Å; L51-L62 HydrophobicContact CD2-CD1 4Å; L51-I63 HydrophobicContact CD1-CD1 3.23Å; L51-I63 HydrophobicContact CD1-CG1 4.17Å; L51-I63 HydrophobicContact CD2-CD1 4.15Å; L51-I63 HydrophobicContact CD2-CG1 4.18Å; L51-I63 HydrophobicContact CG-CD1 3.83Å; L51-I63 HydrophobicContact CG-CG1 4.29Å
52S76Confident78.7Confident37 Ų3791.2 Ų91.226%0.25942%0.42SS..  trans-153.9149.6-173.8-163.10000112R54S52-R54 VanDerWaalsContact C-N 3.31Å
53R71.9Confident78.4Confident182 Ų18289.2 Ų89.269%0.68741%0.41SS*.SBendtrans-76.9-17173.7-61.5-177.1-172.7-177.23.2112.8R88R53-R88 HydrophobicContact CB-CG 4.33Å; R53-R88 HydrophobicContact CG-CG 3.34Å; R53-R88 PolarHBondContact NE-O 3.48Å; R53-R88 PolarHBondContact NH2-O 2.99Å
54R76.9Confident78.3Confident210 Ų21090.8 Ų90.879%0.79241%0.411SS*.SBendtrans-110.2156.8-175.7-63.8-177.5-178.8179.30.9111.2S52 I56S52-R54 VanDerWaalsContact C-N 3.31Å; R54-I56 PolarHBondContact O-N 3.04Å
55R72.2Confident78.3Confident251 Ų25196 Ų9695%0.94744%0.437SS*.  trans-59126.7175-167.2175.6-174178.32.5110.3
56I69.4Low78.1Confident62 Ų6296.1 Ų96.132%0.31845%0.451SS..  trans-85.7123.3-172.4-39.9167000108.7R54 L62R54-I56 PolarHBondContact O-N 3.04Å; I56-L62 HydrophobicContact CG1-CD1 4.5Å; I56-L62 HydrophobicContact CG2-CD1 3.72Å
57R71.6Confident78Confident261 Ų261102.4 Ų102.499%0.98547%0.474SS*.SBendtrans-84.6-36170.4-72.8-171.7-173179.22.3112.3
58S71.1Confident78Confident66 Ų66102.7 Ų102.746%0.46248%0.476SS..  trans-154.9130.2178.5-172.90000110.7
59I71.4Confident78.3Confident42 Ų42101.6 Ų101.622%0.21547%0.469CS..Hα-helixtrans-66.5-38-178.9-165.477.5000112.1I27 L48 L51 K61 L62 I63I27-I59 HydrophobicContact CG2-CG1 4.05Å; I27-I59 HydrophobicContact CG2-CG2 4.41Å; L48-I59 HydrophobicContact CG-CD1 4.32Å; L51-I59 HydrophobicContact CD2-CD1 3.25Å; L51-I59 HydrophobicContact CD2-CG1 4.36Å; I59-K61 PolarHBondContact O-N 3.12Å; I59-K61 VanDerWaalsContact O-N 3.08Å; I59-L62 PolarHBondContact O-N 2.88Å; I59-I63 PolarHBondContact O-N 2.77Å; I59-I63 VanDerWaalsContact O-N 3.09Å
60N74.4Confident78.4Confident101 Ų10197.7 Ų97.754%0.5444%0.442SS..Hα-helixtrans-64.9-16.2-176.2-76-14.8000114.2I63N60-I63 CarbonylContact C-O 3.54Å; N60-I63 WeakPolarHBondContact CA-O 3.47Å
61K76.4Confident78.7Confident189 Ų18996.5 Ų96.582%0.82244%0.436SS*.Hα-helixtrans-83.1-30.3175-167.7172.1-177.6176.90112.1I59I59-K61 PolarHBondContact O-N 3.12Å; I59-K61 VanDerWaalsContact O-N 3.08Å
62L74.6Confident79.1Confident59 Ų5996.9 Ų96.931%0.30944%0.439SS..Hα-helixtrans-91-33.2-176.1-71.1176.2000112.9L51 I56 I59 K87L51-L62 HydrophobicContact CD2-CB 4.07Å; L51-L62 HydrophobicContact CD2-CD1 4Å; I56-L62 HydrophobicContact CG1-CD1 4.5Å; I56-L62 HydrophobicContact CG2-CD1 3.72Å; I59-L62 PolarHBondContact O-N 2.88Å; L62-K87 PolarHBondContact O-NZ 3.02Å
63I77.4Confident79.7Confident2 Ų295.1 Ų95.11%0.0143%0.426CS..  trans-137.2135.5-179.4-67.1-162.8000108.5V24 I27 I46 L51 I59 N60V24-I63 HydrophobicContact CB-CG2 3.95Å; V24-I63 HydrophobicContact CG1-CG2 3.56Å; V24-I63 HydrophobicContact CG2-CG2 3.42Å; V24-I63 VanDerWaalsContact CG2-CG2 3.42Å; I27-I63 HydrophobicContact CD1-CG2 4.18Å; I46-I63 HydrophobicContact CD1-CD1 4.4Å; L51-I63 HydrophobicContact CD1-CD1 3.23Å; L51-I63 HydrophobicContact CD1-CG1 4.17Å; L51-I63 HydrophobicContact CD2-CD1 4.15Å; L51-I63 HydrophobicContact CD2-CG1 4.18Å; L51-I63 HydrophobicContact CG-CD1 3.83Å; L51-I63 HydrophobicContact CG-CG1 4.29Å; I59-I63 PolarHBondContact O-N 2.77Å; I59-I63 VanDerWaalsContact O-N 3.09Å; N60-I63 CarbonylContact C-O 3.54Å; N60-I63 WeakPolarHBondContact CA-O 3.47Å
64R82.5Confident80.5Confident135 Ų13588.6 Ų88.651%0.50941%0.405SS..  trans-124.2140.4172.6-67.5-173.7179-176.5-1.7109.5G66 R67R64-G66 PolarHBondContact O-N 2.77Å; R64-R67 HydrophobicContact CB-CG 4.04Å; R64-R67 PolarHBondContact O-N 3.19Å
65I87.6Confident80.9Confident114 Ų11485.9 Ų85.959%0.58540%0.395SS*.THydrogen-bonded Turntrans-57.4135.3173.2-60167.4000108.8R25 I27 R67R25-I65 WeakPolarHBondContact O-CG2 3.24Å; I27-I65 HydrophobicContact CD1-CG1 4.15Å; I27-I65 HydrophobicContact CG1-CG1 4.18Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 3.41Å
66G84.2Confident81.6Confident49 Ų4975.1 Ų75.151%0.50536%0.356SS..THydrogen-bonded Turntrans80.8-1.5-179.600000115.3N23 V24 R64N23-G66 VanDerWaalsContact ND2-C 3.35Å; N23-G66 PolarHBondContact ND2-O 3.47Å; V24-G66 PolarHBondContact O-N 3.02Å; R64-G66 PolarHBondContact O-N 2.77Å
67R86.3Confident82.4Confident132 Ų13275.2 Ų75.250%0.49836%0.358SS..  trans-89.3149172.5-70.5-164.9175.4-179.1-7.5111.9V24 R64 I65V24-R67 PolarHBondContact N-O 2.99Å; V24-R67 VanDerWaalsContact N-O 3.07Å; R64-R67 HydrophobicContact CB-CG 4.04Å; R64-R67 PolarHBondContact O-N 3.19Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 3.41Å
68N86.5Confident82.8Confident74 Ų7470.3 Ų70.340%0.39634%0.343SS..EExtended strand (participates in β ladder)trans-87.4135173.1-61.9-12000109.6M21 V22 N23M21-N68 HydrophobicContact CG-CB 4.18Å; M21-N68 HydrophobicContact SD-CB 3.78Å; V22-N68 CarbonylContact O-C 3.55Å; V22-N68 VanDerWaalsContact O-CA 3.23Å; V22-N68 WeakPolarHBondContact O-CA 3.32Å; N23-N68 PolarHBondContact ND2-OD1 3.2Å
69E85.9Confident83.1Confident39 Ų3976.3 Ų76.318%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-134.5141.6-179.8-67.1-72.1142.300109V22 V24 K87V22-E69 HydrophobicContact CG2-CB 4.44Å; V22-E69 WeakPolarHBondContact CG2-O 3.44Å; V22-E69 PolarHBondContact N-O 3.3Å; V22-E69 PolarHBondContact O-N 2.63Å; V24-E69 HydrophobicContact CG2-CG 4.35Å; E69-K87 WeakPolarHBondContact OE2-CE 3.4Å; E69-K87 IonicContact OE2-NZ 2.77Å; E69-K87 PolarHBondContact OE2-NZ 3.33Å
70C86.1Confident83.4Confident17 Ų1781.8 Ų81.812%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-85.1130.5172.3-63.20000109.4A95C70-A95 HydrophobicContact CB-CB 4.21Å
71V88.7Confident83.4Confident0 Ų078.1 Ų78.10%037%0.373CS..EExtended strand (participates in β ladder)trans-139.8152.2-179-65.90000110.8V19 V20 V22 I46 L85 K87V19-V71 WeakPolarHBondContact CA-O 3.47Å; V20-V71 HydrophobicContact CG2-CG2 4.12Å; V20-V71 PolarHBondContact N-O 2.93Å; V20-V71 PolarHBondContact O-N 3.37Å; V22-V71 HydrophobicContact CB-CG2 4.14Å; V22-V71 HydrophobicContact CG1-CG2 3.46Å; V22-V71 VanDerWaalsContact CG1-CG2 3.46Å; V22-V71 HydrophobicContact CG2-CB 4.46Å; V22-V71 HydrophobicContact CG2-CG1 4.02Å; V22-V71 HydrophobicContact CG2-CG2 3.55Å; I46-V71 HydrophobicContact CD1-CG1 3.81Å; I46-V71 HydrophobicContact CG1-CG1 4.47Å; V71-L85 HydrophobicContact CB-CB 4.34Å; V71-L85 HydrophobicContact CG2-CB 4.13Å; V71-L85 HydrophobicContact CG2-CD1 4.14Å; V71-L85 HydrophobicContact CG2-CD2 3.89Å; V71-L85 HydrophobicContact CG2-CG 4.28Å; V71-K87 HydrophobicContact CG1-CB 4.13Å
72V89.5Confident83.7Confident13 Ų1376.4 Ų76.48%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-95.7138.2174.3173.90000109.8D18 V19 L85 S86 V90D18-V72 WeakPolarHBondContact O-CA 3.21Å; V19-V72 HydrophobicContact CG1-CG2 4.49Å; V19-V72 HydrophobicContact CG2-CG2 3.78Å; V72-L85 CarbonylContact O-C 3.51Å; V72-L85 WeakPolarHBondContact O-CA 3.36Å; V72-S86 PolarHBondContact N-O 3.29Å; V72-S86 PolarHBondContact O-N 3.5Å; V72-V90 HydrophobicContact CB-CG2 4.35Å; V72-V90 HydrophobicContact CG2-CB 4.4Å; V72-V90 HydrophobicContact CG2-CG2 3.52Å
73V89.4Confident84.3Confident0 Ų073.7 Ų73.70%035%0.348CS..EExtended strand (participates in β ladder)trans-76.1122.9172.5-179.10000110P14 E15 E17 D18 V20 V76 I83 L85P14-V73 HydrophobicContact CB-CG2 3.94Å; P14-V73 HydrophobicContact CG-CG1 4.43Å; P14-V73 HydrophobicContact CG-CG2 3.78Å; E15-V73 WeakPolarHBondContact O-CB 3.48Å; E17-V73 WeakPolarHBondContact CA-O 3.45Å; E17-V73 PolarHBondContact N-O 2.92Å; D18-V73 PolarHBondContact O-N 3.34Å; V20-V73 HydrophobicContact CG1-CG2 4.44Å; V20-V73 HydrophobicContact CG2-CG2 3.96Å; V73-V76 HydrophobicContact CG1-CG2 3.35Å; V73-I83 HydrophobicContact CG1-CG2 3.93Å; V73-I83 HydrophobicContact CG2-CG2 4.36Å; V73-L85 HydrophobicContact CB-CD2 4.42Å; V73-L85 HydrophobicContact CG2-CD2 3.76Å
74I88.3Confident84.8Confident45 Ų4575.7 Ų75.723%0.23136%0.359CS..EExtended strand (participates in β ladder)trans-95.5-45.4177-59.1167.2000110.7V16 E50 D84V16-I74 WeakPolarHBondContact CG1-O 3.41Å; E50-I74 HydrophobicContact CG-CD1 4Å; I74-D84 PolarHBondContact N-O 3.13Å
75R85.8Confident85.1Confident153 Ų15369.3 Ų69.358%0.57733%0.334SS*.EExtended strand (participates in β ladder)trans-147.7142.3-174.2-175.5177.4-72.2-164.8-2109.4D84R75-D84 HydrophobicContact CB-CB 4.13Å; R75-D84 PolarHBondContact N-O 2.86Å; R75-D84 PolarHBondContact O-N 3.29Å
76V86.4Confident85.2Confident24 Ų2463.9 Ų63.915%0.14531%0.306CS..EExtended strand (participates in β ladder)trans-128.4114.3178-178.90000108.2F13 V73 K78 I83F13-V76 HydrophobicContact CB-CG1 3.93Å; F13-V76 HydrophobicContact CD1-CG1 4.23Å; F13-V76 HydrophobicContact CG-CG1 4.22Å; V73-V76 HydrophobicContact CG1-CG2 3.35Å; V76-K78 HydrophobicContact CG1-CG 4.12Å; V76-I83 HydrophobicContact CG1-CG1 4.48Å; V76-I83 HydrophobicContact CG2-CG2 4.32Å
77D85.8Confident85.2Confident64 Ų6463.9 Ų63.934%0.34229%0.293SS..EExtended strand (participates in β ladder)trans-93.793.4172.1-82.3-76.1000109.1E79 K80 G81 Y82D77-E79 PolarHBondContact O-N 3.48Å; D77-K80 PolarHBondContact O-N 3.49Å; D77-G81 WeakPolarHBondContact O-CA 3.38Å; D77-G81 PolarHBondContact O-N 3.13Å; D77-Y82 PolarHBondContact N-O 2.98Å; D77-Y82 PolarHBondContact O-N 2.92Å
78K80.2Confident85Confident158 Ų15862.3 Ų62.369%0.68729%0.287SS*.THydrogen-bonded Turntrans-63.1-24.9-176.6-64.2179.4-178.4177.40113.6F13 V76F13-K78 HydrophobicContact CD2-CG 4.39Å; V76-K78 HydrophobicContact CG1-CG 4.12Å
79E78.4Confident84.8Confident192 Ų19264.7 Ų64.790%0.89729%0.29SS*.THydrogen-bonded Turntrans-78.3-35.9-179.1-63.2-172.210100112.9D77D77-E79 PolarHBondContact O-N 3.48Å
80K78.1Confident84.6Confident158 Ų15863.9 Ų63.969%0.68729%0.288SS*.THydrogen-bonded Turntrans-104-11.5-177.9-64.1-175.8-179.7177.80113.3D77 Y82D77-K80 PolarHBondContact O-N 3.49Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD2 3.37Å; K80-Y82 HydrophobicContact CB-CE2 3.65Å; K80-Y82 HydrophobicContact CB-CG 4.39Å; K80-Y82 HydrophobicContact CD-CD2 4.03Å; K80-Y82 HydrophobicContact CD-CE2 4Å; K80-Y82 HydrophobicContact CG-CD2 4.34Å; K80-Y82 HydrophobicContact CG-CE2 4.4Å; K80-Y82 PolarHBondContact O-N 3.14Å
81G73.3Confident84.5Confident24 Ų2465.2 Ų65.225%0.24730%0.297CS..THydrogen-bonded Turntrans72.617-176.700000113.8D77D77-G81 WeakPolarHBondContact O-CA 3.38Å; D77-G81 PolarHBondContact O-N 3.13Å
82Y82.8Confident84.1Confident153 Ų15370.1 Ų70.160%0.633%0.329SS*.EExtended strand (participates in β ladder)trans-85.3134177-67.2-62.5000110.8D77 K80D77-Y82 PolarHBondContact N-O 2.98Å; D77-Y82 PolarHBondContact O-N 2.92Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD2 3.37Å; K80-Y82 HydrophobicContact CB-CE2 3.65Å; K80-Y82 HydrophobicContact CB-CG 4.39Å; K80-Y82 HydrophobicContact CD-CD2 4.03Å; K80-Y82 HydrophobicContact CD-CE2 4Å; K80-Y82 HydrophobicContact CG-CD2 4.34Å; K80-Y82 HydrophobicContact CG-CE2 4.4Å; K80-Y82 PolarHBondContact O-N 3.14Å
83I86.9Confident83.7Confident2 Ų276.1 Ų76.11%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-123116176.8-54.6174.2000107.8F13 P14 L36 I42 G44 M45 V73 V76 L85F13-I83 HydrophobicContact CD1-CD1 4.37Å; P14-I83 HydrophobicContact CG-CD1 4.18Å; L36-I83 HydrophobicContact CD1-CD1 4.12Å; L36-I83 HydrophobicContact CD2-CD1 3.82Å; I42-I83 HydrophobicContact CG2-CD1 3.73Å; G44-I83 WeakPolarHBondContact CA-O 3.34Å; M45-I83 PolarHBondContact N-O 3.34Å; V73-I83 HydrophobicContact CG1-CG2 3.93Å; V73-I83 HydrophobicContact CG2-CG2 4.36Å; V76-I83 HydrophobicContact CG1-CG1 4.48Å; V76-I83 HydrophobicContact CG2-CG2 4.32Å; I83-L85 HydrophobicContact CG2-CD2 3.69Å; I83-L85 HydrophobicContact CG2-CG 3.98Å
84D89.2Confident83.4Confident44 Ų4479.6 Ų79.624%0.23537%0.373CS..EExtended strand (participates in β ladder)trans-85.5125.2172.2-72.1-56.2000109.6I74 R75I74-D84 PolarHBondContact N-O 3.13Å; R75-D84 HydrophobicContact CB-CB 4.13Å; R75-D84 PolarHBondContact N-O 2.86Å; R75-D84 PolarHBondContact O-N 3.29Å
85L89Confident83.1Confident0 Ų078.9 Ų78.90%037%0.373CS..EExtended strand (participates in β ladder)trans-119.7151.3-173.2-62.5165.5000110.5V20 V22 V34 L36 M45 I46 V71 V72 V73 I83V20-L85 HydrophobicContact CG2-CD2 4.26Å; V22-L85 HydrophobicContact CG1-CD1 4.13Å; V34-L85 HydrophobicContact CG2-CD1 3.21Å; L36-L85 HydrophobicContact CD1-CD1 4.11Å; M45-L85 PolarHBondContact O-N 2.89Å; I46-L85 HydrophobicContact CG1-CB 3.66Å; I46-L85 HydrophobicContact CG1-CD1 4.34Å; V71-L85 HydrophobicContact CB-CB 4.34Å; V71-L85 HydrophobicContact CG2-CB 4.13Å; V71-L85 HydrophobicContact CG2-CD1 4.14Å; V71-L85 HydrophobicContact CG2-CD2 3.89Å; V71-L85 HydrophobicContact CG2-CG 4.28Å; V72-L85 CarbonylContact O-C 3.51Å; V72-L85 WeakPolarHBondContact O-CA 3.36Å; V73-L85 HydrophobicContact CB-CD2 4.42Å; V73-L85 HydrophobicContact CG2-CD2 3.76Å; I83-L85 HydrophobicContact CG2-CD2 3.69Å; I83-L85 HydrophobicContact CG2-CG 3.98Å
86S87.8Confident83Confident0 Ų077 Ų770%037%0.374CS..EExtended strand (participates in β ladder)trans-135.9126.3178.5149.20000111.4E50 V72 R88 R89E50-S86 PolarHBondContact OE2-OG 3.3Å; V72-S86 PolarHBondContact N-O 3.29Å; V72-S86 PolarHBondContact O-N 3.5Å; S86-R88 PolarHBondContact OG-N 2.88Å; S86-R89 WeakPolarHBondContact OG-CG 3.43Å; S86-R89 PolarHBondContact OG-N 3.2Å
87K85Confident82.7Confident50 Ų5082.3 Ų82.322%0.21740%0.395CS..SBendtrans-85.1-26.1169.1-173.9173.2171.8175.50112E50 L62 E69 V71 R89 V90E50-K87 PolarHBondContact O-N 3.44Å; L62-K87 PolarHBondContact O-NZ 3.02Å; E69-K87 WeakPolarHBondContact OE2-CE 3.4Å; E69-K87 IonicContact OE2-NZ 2.77Å; E69-K87 PolarHBondContact OE2-NZ 3.33Å; V71-K87 HydrophobicContact CG1-CB 4.13Å; K87-R89 VanDerWaalsContact C-N 3.33Å; K87-R89 PolarHBondContact O-N 2.88Å; K87-V90 PolarHBondContact O-N 3.31Å
88R83.2Confident82.5Confident99 Ų9979.4 Ų79.437%0.37438%0.38SS..THydrogen-bonded Turntrans-64.9-33.2-174.1-170.1176.765.9132.7-6.2113.9E50 R53 S86E50-R88 WeakPolarHBondContact O-CB 3.34Å; E50-R88 PolarHBondContact O-N 3.05Å; E50-R88 IonicContact OE1-CZ 3.51Å; E50-R88 IonicContact OE1-NE 2.68Å; E50-R88 IonicContact OE1-NH2 3.24Å; E50-R88 PolarHBondContact OE1-NH2 2.88Å; E50-R88 WeakPolarHBondContact OE2-CB 3.25Å; E50-R88 IonicContact OE2-CZ 3.53Å; E50-R88 IonicContact OE2-NE 3.76Å; E50-R88 PolarHBondContact OE2-NE 3.13Å; E50-R88 IonicContact OE2-NH2 3.65Å; E50-R88 PolarHBondContact OE2-NH2 3.44Å; R53-R88 HydrophobicContact CB-CG 4.33Å; R53-R88 HydrophobicContact CG-CG 3.34Å; R53-R88 PolarHBondContact NE-O 3.48Å; R53-R88 PolarHBondContact NH2-O 2.99Å; S86-R88 PolarHBondContact OG-N 2.88Å
89R80.4Confident82.6Confident123 Ų12377.4 Ų77.446%0.46437%0.372SS..THydrogen-bonded Turntrans-82.7-15.9-176.2-64.7180-169.1-147.72.8113.8E50 S86 K87 S91E50-R89 IonicContact OE1-NE 3.06Å; E50-R89 IonicContact OE1-NH2 2.72Å; S86-R89 WeakPolarHBondContact OG-CG 3.43Å; S86-R89 PolarHBondContact OG-N 3.2Å; K87-R89 VanDerWaalsContact C-N 3.33Å; K87-R89 PolarHBondContact O-N 2.88Å; R89-S91 PolarHBondContact O-N 3.06Å
90V82.3Confident82.7Confident23 Ų2371.3 Ų71.314%0.13935%0.346CS..  trans-70.2125.1-178.3-1760000110.2V72 K87 E94 A95V72-V90 HydrophobicContact CB-CG2 4.35Å; V72-V90 HydrophobicContact CG2-CB 4.4Å; V72-V90 HydrophobicContact CG2-CG2 3.52Å; K87-V90 PolarHBondContact O-N 3.31Å; V90-E94 HydrophobicContact CG1-CB 4.5Å; V90-A95 HydrophobicContact CG1-CB 3.98Å
91S83.6Confident82.9Confident44 Ų4464.7 Ų64.731%0.30832%0.317SS..  trans-82.5150.4169-58.30000110.6R89 E93 E94 A95R89-S91 PolarHBondContact O-N 3.06Å; S91-E93 PolarHBondContact O-N 2.98Å; S91-E94 WeakPolarHBondContact CB-OE2 3.42Å; S91-E94 PolarHBondContact N-OE2 3.35Å; S91-E94 PolarHBondContact O-N 3.19Å; S91-E94 PolarHBondContact OG-OE2 3.41Å; S91-A95 PolarHBondContact O-N 2.95Å
92P80.2Confident83.3Confident103 Ų10364.2 Ų64.267%0.66931%0.309SS*.Hα-helixtrans-59.3-33.5178.724.1-33.5000112.4E94 A95 I96P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 3.49Å; P92-A95 PolarHBondContact O-N 2.91Å; P92-I96 WeakPolarHBondContact O-CD1 3.38Å; P92-I96 VanDerWaalsContact O-CG1 3.31Å; P92-I96 WeakPolarHBondContact O-CG1 3.48Å; P92-I96 PolarHBondContact O-N 2.91Å; P92-I96 VanDerWaalsContact O-N 3.16Å
93E82.4Confident83.3Confident139 Ų13960.6 Ų60.665%0.6530%0.302SS*.Hα-helixtrans-64.4-37.2174.6-63.4-179.484.700112.7S91 K97S91-E93 PolarHBondContact O-N 2.98Å; E93-K97 WeakPolarHBondContact O-CG 3.45Å; E93-K97 PolarHBondContact O-N 3.47Å
94E81.9Confident83Confident74 Ų7462.7 Ų62.735%0.34631%0.311SS..Hα-helixtrans-74.6-35.4177.8-64.6-177.8113.500111.8V19 V90 S91 P92 I96 K97 C98V19-E94 HydrophobicContact CG2-CB 4.36Å; V90-E94 HydrophobicContact CG1-CB 4.5Å; S91-E94 WeakPolarHBondContact CB-OE2 3.42Å; S91-E94 PolarHBondContact N-OE2 3.35Å; S91-E94 PolarHBondContact O-N 3.19Å; S91-E94 PolarHBondContact OG-OE2 3.41Å; P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 3.49Å; E94-I96 VanDerWaalsContact C-N 3.32Å; E94-I96 PolarHBondContact O-N 3.26Å; E94-K97 PolarHBondContact O-N 2.89Å; E94-C98 VanDerWaalsContact O-CB 3.29Å; E94-C98 WeakPolarHBondContact O-CB 3.44Å; E94-C98 PolarHBondContact O-N 3.36Å
95A81.8Confident82.5Confident29 Ų2961 Ų6124%0.2430%0.303CS..Hα-helixtrans-60.1-43.2173.200000111.4C70 V90 S91 P92 C98 E99C70-A95 HydrophobicContact CB-CB 4.21Å; V90-A95 HydrophobicContact CG1-CB 3.98Å; S91-A95 PolarHBondContact O-N 2.95Å; P92-A95 PolarHBondContact O-N 2.91Å; A95-C98 PolarHBondContact O-N 3.25Å; A95-E99 WeakPolarHBondContact O-CB 3.38Å; A95-E99 PolarHBondContact O-N 2.97Å
96I83.6Confident82.2Confident115 Ų11566.6 Ų66.659%0.5933%0.327SS*.Hα-helixtrans-64.4-44.9177.5-63.7161.3000110.7P92 E94 C98 E99 D100P92-I96 WeakPolarHBondContact O-CD1 3.38Å; P92-I96 VanDerWaalsContact O-CG1 3.31Å; P92-I96 WeakPolarHBondContact O-CG1 3.48Å; P92-I96 PolarHBondContact O-N 2.91Å; P92-I96 VanDerWaalsContact O-N 3.16Å; E94-I96 VanDerWaalsContact C-N 3.32Å; E94-I96 PolarHBondContact O-N 3.26Å; I96-C98 VanDerWaalsContact C-N 3.33Å; I96-C98 PolarHBondContact O-N 2.89Å; I96-E99 PolarHBondContact O-N 3.39Å; I96-D100 PolarHBondContact O-N 2.83Å
97K82.1Confident81.8Confident134 Ų13469 Ų6958%0.58334%0.342SS*.Hα-helixtrans-61.7-41.2176.1-70.8174-174.8175.10111.9E93 E94 D100 K101 Y147E93-K97 WeakPolarHBondContact O-CG 3.45Å; E93-K97 PolarHBondContact O-N 3.47Å; E94-K97 PolarHBondContact O-N 2.89Å; K97-D100 PolarHBondContact O-N 3.4Å; K97-K101 VanDerWaalsContact O-CB 3.31Å; K97-K101 WeakPolarHBondContact O-CB 3.5Å; K97-K101 PolarHBondContact O-N 3.41Å; K97-Y147 PolarHBondContact O-OH 3.15Å
98C80.4Confident81.6Confident4 Ų466.9 Ų66.93%0.02733%0.333CS..Hα-helixtrans-65-41.9176.8-175.40000111.8V19 E94 A95 I96 K101 F102V19-C98 HydrophobicContact CB-CB 4.4Å; V19-C98 HydrophobicContact CG1-CB 3.77Å; E94-C98 VanDerWaalsContact O-CB 3.29Å; E94-C98 WeakPolarHBondContact O-CB 3.44Å; E94-C98 PolarHBondContact O-N 3.36Å; A95-C98 PolarHBondContact O-N 3.25Å; I96-C98 VanDerWaalsContact C-N 3.33Å; I96-C98 PolarHBondContact O-N 2.89Å; C98-K101 PolarHBondContact O-N 2.99Å; C98-F102 VanDerWaalsContact O-CB 3.24Å; C98-F102 WeakPolarHBondContact O-CB 3.21Å; C98-F102 PolarHBondContact O-N 3.02Å
99E82.4Confident81.5Confident115 Ų11563.5 Ų63.554%0.53732%0.32SS..Hα-helixtrans-65.2-40.8178.1-172.4170.687.600111.8M21 A95 I96 F102 T103M21-E99 HydrophobicContact CE-CB 4.17Å; M21-E99 HydrophobicContact CE-CG 4.16Å; A95-E99 WeakPolarHBondContact O-CB 3.38Å; A95-E99 PolarHBondContact O-N 2.97Å; I96-E99 PolarHBondContact O-N 3.39Å; E99-F102 PolarHBondContact O-N 3.23Å; E99-T103 VanDerWaalsContact O-CB 3.3Å; E99-T103 WeakPolarHBondContact O-CB 3.45Å; E99-T103 PolarHBondContact O-N 3.49Å; E99-T103 PolarHBondContact O-OG1 3.19Å
100D81.3Confident81.5Confident64 Ų6460.2 Ų60.234%0.34232%0.317SS..Hα-helixtrans-64.7-46.7174.2-179.3-109.1000111.6I96 K97 F102 T103 K104 Y147I96-D100 PolarHBondContact O-N 2.83Å; K97-D100 PolarHBondContact O-N 3.4Å; D100-F102 PolarHBondContact O-N 3.16Å; D100-T103 PolarHBondContact O-N 3.41Å; D100-K104 WeakPolarHBondContact O-CB 3Å; D100-K104 WeakPolarHBondContact O-CG 3.48Å; D100-K104 PolarHBondContact O-N 2.87Å; D100-K104 WeakPolarHBondContact OD1-CE 3.44Å; D100-K104 IonicContact OD1-NZ 3.22Å; D100-K104 PolarHBondContact OD1-NZ 3.26Å; D100-K104 WeakPolarHBondContact OD2-CE 3.46Å; D100-K104 IonicContact OD2-NZ 3.55Å; D100-K104 PolarHBondContact OD2-NZ 3.06Å; D100-Y147 WeakPolarHBondContact OD1-CE1 3.33Å; D100-Y147 PolarHBondContact OD1-OH 2.76Å
101K81.1Confident81.5Confident20 Ų2059.3 Ų59.39%0.08731%0.311CS..Hα-helixtrans-57.1-47.3174.1-179.5-179.7170.1-171.60111.5Y9 D18 K97 C98 K104 S105 P145 Y147Y9-K101 WeakPolarHBondContact OH-CE 3.43Å; D18-K101 IonicContact OD1-NZ 2.72Å; D18-K101 IonicContact OD2-NZ 2.89Å; K97-K101 VanDerWaalsContact O-CB 3.31Å; K97-K101 WeakPolarHBondContact O-CB 3.5Å; K97-K101 PolarHBondContact O-N 3.41Å; C98-K101 PolarHBondContact O-N 2.99Å; K101-K104 PolarHBondContact O-N 2.8Å; K101-S105 WeakPolarHBondContact O-CB 3.49Å; K101-S105 PolarHBondContact O-N 2.98Å; K101-S105 PolarHBondContact O-OG 3.45Å; K101-P145 VanDerWaalsContact CE-O 3.29Å; K101-P145 WeakPolarHBondContact CE-O 3.46Å; K101-Y147 HydrophobicContact CB-CE2 3.84Å; K101-Y147 HydrophobicContact CG-CD2 4.46Å; K101-Y147 HydrophobicContact CG-CE2 4.16Å
102F81.3Confident81.2Confident14 Ų1457.2 Ų57.26%0.06130%0.296CS..Hα-helixtrans-64.5-44179.4-179.6-102.7000111.6M21 L37 E38 C98 E99 D100 K104 S105 K106M21-F102 HydrophobicContact CB-CB 4.11Å; M21-F102 HydrophobicContact CB-CD1 4.4Å; M21-F102 HydrophobicContact CB-CD2 3.63Å; M21-F102 HydrophobicContact CB-CE2 4.14Å; M21-F102 HydrophobicContact CB-CG 3.78Å; M21-F102 HydrophobicContact CE-CB 4.38Å; M21-F102 HydrophobicContact CE-CD1 4.22Å; M21-F102 HydrophobicContact CE-CG 4.41Å; M21-F102 HydrophobicContact CG-CD1 4.04Å; M21-F102 HydrophobicContact CG-CD2 4.04Å; M21-F102 HydrophobicContact CG-CE1 4.25Å; M21-F102 HydrophobicContact CG-CE2 4.25Å; M21-F102 HydrophobicContact CG-CG 3.93Å; M21-F102 HydrophobicContact CG-CZ 4.35Å; L37-F102 HydrophobicContact CB-CE2 3.73Å; L37-F102 HydrophobicContact CB-CZ 4.01Å; L37-F102 HydrophobicContact CD1-CE2 4.23Å; L37-F102 HydrophobicContact CD1-CZ 3.87Å; L37-F102 HydrophobicContact CG-CZ 4.47Å; E38-F102 HydrophobicContact CG-CD2 3.62Å; E38-F102 HydrophobicContact CG-CE2 3.89Å; C98-F102 VanDerWaalsContact O-CB 3.24Å; C98-F102 WeakPolarHBondContact O-CB 3.21Å; C98-F102 PolarHBondContact O-N 3.02Å; E99-F102 PolarHBondContact O-N 3.23Å; D100-F102 PolarHBondContact O-N 3.16Å; F102-K104 PolarHBondContact O-N 2.81Å; F102-S105 PolarHBondContact O-N 3.38Å; F102-K106 HydrophobicContact CE1-CD 4.09Å; F102-K106 HydrophobicContact CZ-CD 4.47Å; F102-K106 WeakPolarHBondContact O-CB 3.16Å; F102-K106 PolarHBondContact O-N 2.89Å
103T82.8Confident81.2Confident76 Ų7657.9 Ų57.947%0.46629%0.285SS..Hα-helixtrans-62.6-45.1179.3-60.60000111.2E99 D100 K106 T107E99-T103 VanDerWaalsContact O-CB 3.3Å; E99-T103 WeakPolarHBondContact O-CB 3.45Å; E99-T103 PolarHBondContact O-N 3.49Å; E99-T103 PolarHBondContact O-OG1 3.19Å; D100-T103 PolarHBondContact O-N 3.41Å; T103-K106 PolarHBondContact O-N 2.87Å; T103-T107 PolarHBondContact O-N 3.32Å; T103-T107 PolarHBondContact O-OG1 2.67Å; T103-T107 VanDerWaalsContact O-OG1 3.07Å
104K81.3Confident81Confident47 Ų4754.7 Ų54.720%0.20427%0.27CS..Hα-helixtrans-61.9-49176.5-74.9171.1178.7167.30112.1D100 K101 F102 K106 T107 V108 Y147 Y150D100-K104 WeakPolarHBondContact O-CB 3Å; D100-K104 WeakPolarHBondContact O-CG 3.48Å; D100-K104 PolarHBondContact O-N 2.87Å; D100-K104 WeakPolarHBondContact OD1-CE 3.44Å; D100-K104 IonicContact OD1-NZ 3.22Å; D100-K104 PolarHBondContact OD1-NZ 3.26Å; D100-K104 WeakPolarHBondContact OD2-CE 3.46Å; D100-K104 IonicContact OD2-NZ 3.55Å; D100-K104 PolarHBondContact OD2-NZ 3.06Å; K101-K104 PolarHBondContact O-N 2.8Å; F102-K104 PolarHBondContact O-N 2.81Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.09Å; K104-T107 WeakPolarHBondContact O-CB 3.5Å; K104-T107 PolarHBondContact O-N 2.84Å; K104-T107 VanDerWaalsContact O-N 3.17Å; K104-V108 PolarHBondContact O-N 2.81Å; K104-Y147 HydrophobicContact CD-CD1 4.1Å; K104-Y147 HydrophobicContact CD-CE1 4.01Å; K104-Y147 VanDerWaalsContact NZ-CE1 3.32Å; K104-Y150 HydrophobicContact CB-CD2 4.11Å; K104-Y150 HydrophobicContact CB-CG 3.96Å; K104-Y150 HydrophobicContact CD-CD1 4.14Å; K104-Y150 HydrophobicContact CD-CG 4.34Å; K104-Y150 HydrophobicContact CG-CD1 4.06Å; K104-Y150 HydrophobicContact CG-CD2 4.16Å; K104-Y150 HydrophobicContact CG-CE1 4.43Å; K104-Y150 HydrophobicContact CG-CG 3.91Å
105S79.4Confident80.8Confident8 Ų851.2 Ų51.26%0.05625%0.254CS..Hα-helixtrans-65.8-34.8-180-49.10000111.6K101 F102 V108 Y109 G146K101-S105 WeakPolarHBondContact O-CB 3.49Å; K101-S105 PolarHBondContact O-N 2.98Å; K101-S105 PolarHBondContact O-OG 3.45Å; F102-S105 PolarHBondContact O-N 3.38Å; S105-V108 PolarHBondContact O-N 2.79Å; S105-Y109 WeakPolarHBondContact O-CB 3.34Å; S105-Y109 PolarHBondContact O-N 2.99Å; S105-G146 VanDerWaalsContact OG-CA 3.3Å; S105-G146 WeakPolarHBondContact OG-CA 3.37Å
106K81.7Confident80.6Confident118 Ų11850 Ų5051%0.51324%0.244SC..Hα-helixtrans-65.7-38.3173.6-178-179.1176.6-174.90112.2F8 F102 T103 K104 Y109 S110F8-K106 HydrophobicContact CE1-CB 4.36Å; F102-K106 HydrophobicContact CE1-CD 4.09Å; F102-K106 HydrophobicContact CZ-CD 4.47Å; F102-K106 WeakPolarHBondContact O-CB 3.16Å; F102-K106 PolarHBondContact O-N 2.89Å; T103-K106 PolarHBondContact O-N 2.87Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.09Å; K106-Y109 PolarHBondContact O-N 3.32Å; K106-S110 WeakPolarHBondContact O-CB 3.46Å; K106-S110 PolarHBondContact O-N 2.98Å
107T80.5Confident80.3Confident49 Ų4950.3 Ų50.330%0.30124%0.243SC..Hα-helixtrans-63.1-47.9174.2-60.40000110.9T103 K104 Y109 S110 I111 Y150 L184T103-T107 PolarHBondContact O-N 3.32Å; T103-T107 PolarHBondContact O-OG1 2.67Å; T103-T107 VanDerWaalsContact O-OG1 3.07Å; K104-T107 WeakPolarHBondContact O-CB 3.5Å; K104-T107 PolarHBondContact O-N 2.84Å; K104-T107 VanDerWaalsContact O-N 3.17Å; T107-Y109 PolarHBondContact O-N 3.23Å; T107-S110 PolarHBondContact O-N 3.07Å; T107-I111 HydrophobicContact CG2-CD1 4.07Å; T107-I111 WeakPolarHBondContact O-CG1 3.44Å; T107-I111 PolarHBondContact O-N 3.36Å; T107-Y150 HydrophobicContact CG2-CE2 4.32Å; T107-L184 HydrophobicContact CG2-CD1 3.8Å
108V80.2Confident80.2Confident6 Ų647.6 Ų47.64%0.03624%0.237CC..Hα-helixtrans-58.3-49.9175.3175.60000110.2K104 S105 S110 I111 L112 A149 Y150 F153K104-V108 PolarHBondContact O-N 2.81Å; S105-V108 PolarHBondContact O-N 2.79Å; V108-S110 VanDerWaalsContact C-N 3.3Å; V108-S110 PolarHBondContact O-N 3.28Å; V108-I111 WeakPolarHBondContact O-CB 3.47Å; V108-I111 PolarHBondContact O-N 2.79Å; V108-L112 HydrophobicContact CG1-CD1 3.61Å; V108-L112 WeakPolarHBondContact O-CD1 3.48Å; V108-L112 PolarHBondContact O-N 3.14Å; V108-A149 HydrophobicContact CG1-CB 4.34Å; V108-A149 HydrophobicContact CG2-CB 4.45Å; V108-Y150 HydrophobicContact CG2-CD2 4.29Å; V108-F153 HydrophobicContact CG1-CE1 4.48Å; V108-F153 HydrophobicContact CG1-CE2 4.49Å; V108-F153 HydrophobicContact CG1-CZ 4.32Å
109Y80.5Confident79.9Confident28 Ų2849.6 Ų49.611%0.1125%0.247CC..Hα-helixtrans-55.8-43.5176.7-178.6-92.2000112.5L4 S5 C6 F8 S105 K106 T107 I111 L112 R113 F131L4-Y109 PolarHBondContact O-OH 2.99Å; L4-Y109 VanDerWaalsContact O-OH 3.13Å; S5-Y109 WeakPolarHBondContact CA-OH 3.48Å; C6-Y109 HydrophobicContact CB-CE2 4.34Å; C6-Y109 PolarHBondContact N-OH 3.44Å; C6-Y109 VanDerWaalsContact O-CE2 3.3Å; C6-Y109 WeakPolarHBondContact O-CE2 3.37Å; F8-Y109 AromaticContact CD2-CD2 3.71Å; F8-Y109 HydrophobicContact CD2-CD2 3.71Å; F8-Y109 HydrophobicContact CD2-CE2 4.24Å; F8-Y109 HydrophobicContact CD2-CG 4.22Å; F8-Y109 HydrophobicContact CE1-CG 4.21Å; F8-Y109 HydrophobicContact CE2-CD1 4.04Å; F8-Y109 AromaticContact CE2-CD2 3.31Å; F8-Y109 HydrophobicContact CE2-CD2 3.31Å; F8-Y109 HydrophobicContact CE2-CE1 4.45Å; F8-Y109 AromaticContact CE2-CE2 3.8Å; F8-Y109 HydrophobicContact CE2-CE2 3.8Å; F8-Y109 AromaticContact CE2-CG 3.46Å; F8-Y109 HydrophobicContact CE2-CG 3.46Å; F8-Y109 VanDerWaalsContact CE2-CG 3.46Å; F8-Y109 HydrophobicContact CG-CD2 4.49Å; F8-Y109 VanDerWaalsContact CZ-CB 3.48Å; F8-Y109 AromaticContact CZ-CD1 3.93Å; F8-Y109 HydrophobicContact CZ-CD1 3.93Å; F8-Y109 AromaticContact CZ-CD2 3.81Å; F8-Y109 HydrophobicContact CZ-CD2 3.81Å; F8-Y109 AromaticContact CZ-CG 3.45Å; F8-Y109 HydrophobicContact CZ-CG 3.45Å; F8-Y109 VanDerWaalsContact CZ-CG 3.45Å; S105-Y109 WeakPolarHBondContact O-CB 3.34Å; S105-Y109 PolarHBondContact O-N 2.99Å; K106-Y109 PolarHBondContact O-N 3.32Å; T107-Y109 PolarHBondContact O-N 3.23Å; Y109-I111 VanDerWaalsContact C-N 3.32Å; Y109-I111 PolarHBondContact O-N 3.04Å; Y109-L112 PolarHBondContact O-N 3.38Å; Y109-R113 HydrophobicContact CE1-CB 4.42Å; Y109-R113 WeakPolarHBondContact O-CB 3.33Å; Y109-R113 PolarHBondContact O-N 3.05Å; Y109-F131 AromaticContact CD2-CE1 4Å; Y109-F131 HydrophobicContact CD2-CE1 4Å; Y109-F131 HydrophobicContact CD2-CE2 4.36Å; Y109-F131 AromaticContact CD2-CZ 3.43Å; Y109-F131 HydrophobicContact CD2-CZ 3.43Å; Y109-F131 VanDerWaalsContact CD2-CZ 3.43Å; Y109-F131 HydrophobicContact CE2-CE2 4.48Å; Y109-F131 AromaticContact CE2-CZ 3.94Å; Y109-F131 HydrophobicContact CE2-CZ 3.94Å; Y109-F131 HydrophobicContact CG-CZ 4.29Å
110S81.8Confident79.5Confident55 Ų5552 Ų5239%0.38526%0.259SS..Hα-helixtrans-65-35.2178.2-170.80000112.6K106 T107 V108 H114K106-S110 WeakPolarHBondContact O-CB 3.46Å; K106-S110 PolarHBondContact O-N 2.98Å; T107-S110 PolarHBondContact O-N 3.07Å; V108-S110 VanDerWaalsContact C-N 3.3Å; V108-S110 PolarHBondContact O-N 3.28Å; S110-H114 PolarHBondContact O-N 3.47Å; S110-H114 VanDerWaalsContact O-N 3.14Å
111I80.4Confident79.1Confident4 Ų450.6 Ų50.62%0.02125%0.249CC..Hα-helixtrans-67.8-52.3176.3-67.9162.9000109.4T107 V108 Y109 R113 H114 V115 F153 L176 N179 I180 R183 L184T107-I111 HydrophobicContact CG2-CD1 4.07Å; T107-I111 WeakPolarHBondContact O-CG1 3.44Å; T107-I111 PolarHBondContact O-N 3.36Å; V108-I111 WeakPolarHBondContact O-CB 3.47Å; V108-I111 PolarHBondContact O-N 2.79Å; Y109-I111 VanDerWaalsContact C-N 3.32Å; Y109-I111 PolarHBondContact O-N 3.04Å; I111-R113 VanDerWaalsContact C-N 3.29Å; I111-R113 PolarHBondContact O-N 3.16Å; I111-H114 PolarHBondContact O-N 3.39Å; I111-H114 VanDerWaalsContact O-N 3.12Å; I111-V115 HydrophobicContact CG2-CG2 4.48Å; I111-V115 WeakPolarHBondContact O-CG2 3.3Å; I111-V115 PolarHBondContact O-N 2.91Å; I111-F153 HydrophobicContact CD1-CD1 4.46Å; I111-F153 HydrophobicContact CG2-CE1 4.24Å; I111-L176 HydrophobicContact CG2-CD1 4.36Å; I111-N179 HydrophobicContact CG2-CB 4.23Å; I111-I180 HydrophobicContact CG2-CG1 4.15Å; I111-R183 HydrophobicContact CD1-CB 4.2Å; I111-R183 HydrophobicContact CG1-CB 4.15Å; I111-R183 HydrophobicContact CG1-CG 4.21Å; I111-L184 HydrophobicContact CD1-CD1 4.01Å
112L77.9Confident78.2Confident0 Ų055.2 Ų55.20%028%0.279CS..Hα-helixtrans-62.5-37.4179.8-8378000112V108 Y109 H114 V115 A116 F131 T134 A135 F153V108-L112 HydrophobicContact CG1-CD1 3.61Å; V108-L112 WeakPolarHBondContact O-CD1 3.48Å; V108-L112 PolarHBondContact O-N 3.14Å; Y109-L112 PolarHBondContact O-N 3.38Å; L112-H114 VanDerWaalsContact C-N 3.34Å; L112-H114 PolarHBondContact O-N 3.43Å; L112-V115 PolarHBondContact O-N 3.45Å; L112-A116 WeakPolarHBondContact O-CB 3.31Å; L112-A116 PolarHBondContact O-N 3.28Å; L112-F131 HydrophobicContact CB-CD2 4.42Å; L112-F131 HydrophobicContact CB-CE2 3.64Å; L112-F131 HydrophobicContact CB-CZ 3.77Å; L112-F131 HydrophobicContact CD2-CD1 3.9Å; L112-F131 HydrophobicContact CD2-CD2 3.58Å; L112-F131 HydrophobicContact CD2-CE1 3.85Å; L112-F131 HydrophobicContact CD2-CE2 3.54Å; L112-F131 HydrophobicContact CD2-CG 3.78Å; L112-F131 HydrophobicContact CD2-CZ 3.68Å; L112-F131 HydrophobicContact CG-CE2 4.25Å; L112-F131 HydrophobicContact CG-CZ 4.3Å; L112-T134 WeakPolarHBondContact CD2-OG1 3.37Å; L112-A135 HydrophobicContact CD2-CB 4.26Å; L112-F153 HydrophobicContact CD1-CE1 3.82Å; L112-F153 HydrophobicContact CD1-CZ 3.67Å
113R79.5Confident77.8Confident117 Ų11760.4 Ų60.444%0.44230%0.301SS..Hα-helixtrans-61.7-42.8174.9-178.3179.9173.5-160.1-3.9111.6Y109 I111 A116 E117Y109-R113 HydrophobicContact CE1-CB 4.42Å; Y109-R113 WeakPolarHBondContact O-CB 3.33Å; Y109-R113 PolarHBondContact O-N 3.05Å; I111-R113 VanDerWaalsContact C-N 3.29Å; I111-R113 PolarHBondContact O-N 3.16Å; R113-A116 PolarHBondContact O-N 3.16Å; R113-E117 PolarHBondContact O-N 2.97Å
114H79.7Confident77Confident71 Ų7160.7 Ų60.733%0.32930%0.3SS..Hα-helixtrans-71.6-36.5179.3-166.757.8000111.8S110 I111 L112 A116 E117 V118 N179S110-H114 PolarHBondContact O-N 3.47Å; S110-H114 VanDerWaalsContact O-N 3.14Å; I111-H114 PolarHBondContact O-N 3.39Å; I111-H114 VanDerWaalsContact O-N 3.12Å; L112-H114 VanDerWaalsContact C-N 3.34Å; L112-H114 PolarHBondContact O-N 3.43Å; H114-A116 VanDerWaalsContact C-N 3.32Å; H114-A116 PolarHBondContact O-N 2.82Å; H114-E117 IonicContact ND1-OE1 3.82Å; H114-E117 PolarHBondContact O-N 3.47Å; H114-V118 VanDerWaalsContact O-CG2 3.29Å; H114-V118 WeakPolarHBondContact O-CG2 3.44Å; H114-V118 PolarHBondContact O-N 3.2Å; H114-N179 PolarHBondContact CD2-OD1 3.5Å; H114-N179 VanDerWaalsContact CD2-OD1 3.23Å
115V77.5Confident76.5Confident1 Ų165.9 Ų65.91%0.00633%0.325CS..Hα-helixtrans-59.6-44170.8172.90000110.7I111 L112 E117 V118 L119 L130 V175 L176 N179I111-V115 HydrophobicContact CG2-CG2 4.48Å; I111-V115 WeakPolarHBondContact O-CG2 3.3Å; I111-V115 PolarHBondContact O-N 2.91Å; L112-V115 PolarHBondContact O-N 3.45Å; V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 2.62Å; V115-V118 PolarHBondContact O-N 3.33Å; V115-L119 HydrophobicContact CG1-CD1 3.64Å; V115-L119 HydrophobicContact CG1-CG 4.43Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 VanDerWaalsContact O-CG 3.24Å; V115-L119 WeakPolarHBondContact O-CG 3.41Å; V115-L119 PolarHBondContact O-N 3.38Å; V115-L130 HydrophobicContact CG1-CD2 4.42Å; V115-V175 HydrophobicContact CG1-CG1 4.18Å; V115-V175 HydrophobicContact CG2-CG1 4.32Å; V115-L176 HydrophobicContact CG2-CD1 3.95Å; V115-N179 HydrophobicContact CG2-CB 4.02Å
116A76.6Confident76Confident3 Ų369.1 Ų69.13%0.02534%0.34CS..Hα-helixtrans-65.2-33.9176.200000113.6L112 R113 H114 E120 Y121 L127L112-A116 WeakPolarHBondContact O-CB 3.31Å; L112-A116 PolarHBondContact O-N 3.28Å; R113-A116 PolarHBondContact O-N 3.16Å; H114-A116 VanDerWaalsContact C-N 3.32Å; H114-A116 PolarHBondContact O-N 2.82Å; A116-E120 PolarHBondContact O-N 2.87Å; A116-Y121 HydrophobicContact CB-CD2 3.73Å; A116-Y121 HydrophobicContact CB-CG 4.49Å; A116-Y121 PolarHBondContact O-N 3.34Å; A116-L127 HydrophobicContact CB-CD1 3.6Å
117E78.1Confident75.5Confident123 Ų12363.5 Ų63.558%0.57532%0.315SS*.Hα-helixtrans-68.8-42.2174.6-170.2174.697.900111.5R113 H114 V115 L119 E120R113-E117 PolarHBondContact O-N 2.97Å; H114-E117 IonicContact ND1-OE1 3.82Å; H114-E117 PolarHBondContact O-N 3.47Å; V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 2.62Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.46Å; E117-E120 PolarHBondContact O-N 2.84Å
118V80.2Confident75.1Confident76 Ų7663.7 Ų63.746%0.46131%0.313SS..Hα-helixtrans-67.2-32.8176.8172.40000111.9H114 V115 E120 V175H114-V118 VanDerWaalsContact O-CG2 3.29Å; H114-V118 WeakPolarHBondContact O-CG2 3.44Å; H114-V118 PolarHBondContact O-N 3.2Å; V115-V118 PolarHBondContact O-N 3.33Å; V118-E120 VanDerWaalsContact C-N 3.27Å; V118-V175 HydrophobicContact CB-CG1 4.21Å; V118-V175 HydrophobicContact CG1-CG1 3.83Å
119L74.8Confident74.7Confident46 Ų4665.9 Ų65.924%0.24133%0.328CS..THydrogen-bonded Turntrans-86.15176.1-65168.9000113.2V115 E117 Y121 E172V115-L119 HydrophobicContact CG1-CD1 3.64Å; V115-L119 HydrophobicContact CG1-CG 4.43Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 VanDerWaalsContact O-CG 3.24Å; V115-L119 WeakPolarHBondContact O-CG 3.41Å; V115-L119 PolarHBondContact O-N 3.38Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.46Å; L119-Y121 HydrophobicContact CB-CD1 4.26Å; L119-Y121 HydrophobicContact CB-CE1 4.01Å; L119-Y121 HydrophobicContact CB-CE2 4.31Å; L119-Y121 HydrophobicContact CD1-CE2 4.06Å; L119-Y121 PolarHBondContact O-N 3.47Å; L119-E172 HydrophobicContact CD1-CB 4.41Å; L119-E172 HydrophobicContact CD1-CG 3.88Å
120E73.8Confident74.4Confident166 Ų16664.9 Ų64.978%0.77632%0.324SS*.THydrogen-bonded Turntrans53.436.6179-57.5-172.2105.500114.1A116 E117 V118 T122A116-E120 PolarHBondContact O-N 2.87Å; E117-E120 PolarHBondContact O-N 2.84Å; V118-E120 VanDerWaalsContact C-N 3.27Å; E120-T122 PolarHBondContact O-N 3.33Å
121Y71.6Confident74Confident35 Ų3562.4 Ų62.414%0.13731%0.307CS..  trans-66.5121.8172.8-65.6-24000110.1L4 A116 L119 Q126 L130 E172L4-Y121 WeakPolarHBondContact CD2-O 3.24Å; A116-Y121 HydrophobicContact CB-CD2 3.73Å; A116-Y121 HydrophobicContact CB-CG 4.49Å; A116-Y121 PolarHBondContact O-N 3.34Å; L119-Y121 HydrophobicContact CB-CD1 4.26Å; L119-Y121 HydrophobicContact CB-CE1 4.01Å; L119-Y121 HydrophobicContact CB-CE2 4.31Å; L119-Y121 HydrophobicContact CD1-CE2 4.06Å; L119-Y121 PolarHBondContact O-N 3.47Å; Y121-Q126 HydrophobicContact CD1-CB 4.25Å; Y121-Q126 HydrophobicContact CD2-CB 4.23Å; Y121-Q126 HydrophobicContact CG-CB 3.99Å; Y121-L130 HydrophobicContact CE2-CD2 4.33Å; Y121-E172 PolarHBondContact OH-OE1 2.89Å
122T63.7Low73.6Confident117 Ų11766.6 Ų66.672%0.71833%0.326SS*.  trans-102.7-5.1-177.246.60000112.7E120E120-T122 PolarHBondContact O-N 3.33Å
123K71.4Confident73.3Confident122 Ų12270.9 Ų70.953%0.5334%0.342SS..  trans-121135-177.9-61.6-179.1-179.7-179.20111.8E125 Q126 L127K123-E125 PolarHBondContact O-N 2.83Å; K123-Q126 HydrophobicContact CB-CG 4.23Å; K123-Q126 PolarHBondContact O-N 2.78Å; K123-Q126 VanDerWaalsContact O-N 3.08Å; K123-L127 PolarHBondContact O-N 2.79Å
124D66.4Low72.8Confident83 Ų8365.3 Ų65.344%0.44432%0.322SS..Hα-helixtrans-59.3-28.1173.5-58.2-86.9000112.7L4 S5 Q126 L127 E128L4-D124 WeakPolarHBondContact CA-OD1 3.41Å; S5-D124 PolarHBondContact N-OD1 2.79Å; D124-Q126 PolarHBondContact O-N 3.01Å; D124-L127 PolarHBondContact O-N 3.31Å; D124-E128 WeakPolarHBondContact O-CB 3.21Å; D124-E128 PolarHBondContact O-N 3.19Å
125E70.6Confident72.3Confident155 Ų15562.1 Ų62.172%0.72431%0.308SS*.Hα-helixtrans-67-32.6175.4-71.1176.8107.300113.3K123 E128 S129K123-E125 PolarHBondContact O-N 2.83Å; E125-E128 PolarHBondContact O-N 2.86Å; E125-S129 WeakPolarHBondContact O-CB 3.41Å; E125-S129 PolarHBondContact O-N 2.92Å
126Q69.9Low72Confident77 Ų7762.7 Ų62.736%0.3631%0.309SS..Hα-helixtrans-73-39.5176.7-68.3176-68.400110.6Y121 K123 D124 E128 S129 L130Y121-Q126 HydrophobicContact CD1-CB 4.25Å; Y121-Q126 HydrophobicContact CD2-CB 4.23Å; Y121-Q126 HydrophobicContact CG-CB 3.99Å; K123-Q126 HydrophobicContact CB-CG 4.23Å; K123-Q126 PolarHBondContact O-N 2.78Å; K123-Q126 VanDerWaalsContact O-N 3.08Å; D124-Q126 PolarHBondContact O-N 3.01Å; Q126-E128 VanDerWaalsContact C-N 3.34Å; Q126-S129 PolarHBondContact O-N 3.31Å; Q126-L130 PolarHBondContact O-N 2.58Å
127L70.9Confident71.6Confident0 Ų065.4 Ų65.40%033%0.326CS..Hα-helixtrans-61.6-45.8171-173.962.5000110.2L4 C6 A116 K123 D124 S129 L130 F131L4-L127 HydrophobicContact CB-CD2 3.98Å; L4-L127 HydrophobicContact CD2-CB 4.44Å; C6-L127 HydrophobicContact CB-CD2 3.62Å; C6-L127 HydrophobicContact CB-CG 3.81Å; A116-L127 HydrophobicContact CB-CD1 3.6Å; K123-L127 PolarHBondContact O-N 2.79Å; D124-L127 PolarHBondContact O-N 3.31Å; L127-S129 PolarHBondContact O-N 3.06Å; L127-L130 WeakPolarHBondContact O-CB 3.38Å; L127-L130 PolarHBondContact O-N 2.94Å; L127-F131 HydrophobicContact CD1-CD2 4Å; L127-F131 HydrophobicContact CD1-CE2 3.68Å; L127-F131 HydrophobicContact CD2-CE2 4.48Å; L127-F131 HydrophobicContact CG-CD2 4.02Å; L127-F131 HydrophobicContact CG-CE2 3.89Å; L127-F131 VanDerWaalsContact O-CD2 3.29Å; L127-F131 WeakPolarHBondContact O-CD2 3.39Å; L127-F131 PolarHBondContact O-N 2.76Å
128E71.7Confident71.1Confident53 Ų5359.7 Ų59.725%0.24830%0.299CS..Hα-helixtrans-59.4-47.3177.4-170.8170.2111.800111.3R7 D124 E125 Q126 L130 F131 Q132 W136R7-E128 IonicContact CZ-OE1 3.38Å; R7-E128 IonicContact CZ-OE2 2.83Å; R7-E128 IonicContact NE-OE2 2.81Å; R7-E128 PolarHBondContact NE-OE2 3.09Å; R7-E128 IonicContact NH2-OE1 3.2Å; R7-E128 PolarHBondContact NH2-OE1 2.88Å; R7-E128 IonicContact NH2-OE2 3.11Å; R7-E128 PolarHBondContact NH2-OE2 2.93Å; D124-E128 WeakPolarHBondContact O-CB 3.21Å; D124-E128 PolarHBondContact O-N 3.19Å; E125-E128 PolarHBondContact O-N 2.86Å; Q126-E128 VanDerWaalsContact C-N 3.34Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 3.37Å; E128-F131 CarbonylContact O-C 3.56Å; E128-F131 WeakPolarHBondContact O-CA 3.47Å; E128-F131 WeakPolarHBondContact O-CB 3.46Å; E128-F131 PolarHBondContact O-N 3.25Å; E128-Q132 HydrophobicContact CG-CG 4.31Å; E128-Q132 WeakPolarHBondContact O-CG 3.44Å; E128-Q132 PolarHBondContact O-N 3.23Å; E128-Q132 PolarHBondContact OE1-NE2 3.39Å; E128-W136 HydrophobicContact CG-CH2 3.83Å
129S72.3Confident70.4Confident51 Ų5157.3 Ų57.336%0.35728%0.284SS..Hα-helixtrans-55-42.8175-173.50000112.6E125 Q126 L127 Q132 R133E125-S129 WeakPolarHBondContact O-CB 3.41Å; E125-S129 PolarHBondContact O-N 2.92Å; Q126-S129 PolarHBondContact O-N 3.31Å; L127-S129 PolarHBondContact O-N 3.06Å; S129-Q132 PolarHBondContact O-N 3.12Å; S129-R133 WeakPolarHBondContact O-CB 3.37Å; S129-R133 VanDerWaalsContact O-CG 3.31Å; S129-R133 WeakPolarHBondContact O-CG 3.11Å; S129-R133 PolarHBondContact O-N 3.06Å
130L74.5Confident69.9Low7 Ų760.6 Ų60.64%0.03730%0.302CS..Hα-helixtrans-61.7-44174.4-173.671.8000111.3V115 Y121 Q126 L127 E128 R133 T134 L168V115-L130 HydrophobicContact CG1-CD2 4.42Å; Y121-L130 HydrophobicContact CE2-CD2 4.33Å; Q126-L130 PolarHBondContact O-N 2.58Å; L127-L130 WeakPolarHBondContact O-CB 3.38Å; L127-L130 PolarHBondContact O-N 2.94Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 3.37Å; L130-R133 PolarHBondContact O-N 3.39Å; L130-T134 HydrophobicContact CD1-CG2 4.21Å; L130-T134 WeakPolarHBondContact O-CB 3.48Å; L130-T134 WeakPolarHBondContact O-CG2 3.4Å; L130-T134 PolarHBondContact O-N 3.48Å; L130-T134 PolarHBondContact O-OG1 3.01Å; L130-L168 HydrophobicContact CD1-CD2 4Å
131F72.3Confident69.4Low4 Ų458.2 Ų58.22%0.01829%0.289CS..Hα-helixtrans-63.8-38.3174.8-88-102.8000112.3C6 Y109 L112 L127 E128 T134 A135 W136C6-F131 HydrophobicContact CB-CD2 4.3Å; C6-F131 HydrophobicContact CB-CE2 4.29Å; Y109-F131 AromaticContact CD2-CE1 4Å; Y109-F131 HydrophobicContact CD2-CE1 4Å; Y109-F131 HydrophobicContact CD2-CE2 4.36Å; Y109-F131 AromaticContact CD2-CZ 3.43Å; Y109-F131 HydrophobicContact CD2-CZ 3.43Å; Y109-F131 VanDerWaalsContact CD2-CZ 3.43Å; Y109-F131 HydrophobicContact CE2-CE2 4.48Å; Y109-F131 AromaticContact CE2-CZ 3.94Å; Y109-F131 HydrophobicContact CE2-CZ 3.94Å; Y109-F131 HydrophobicContact CG-CZ 4.29Å; L112-F131 HydrophobicContact CB-CD2 4.42Å; L112-F131 HydrophobicContact CB-CE2 3.64Å; L112-F131 HydrophobicContact CB-CZ 3.77Å; L112-F131 HydrophobicContact CD2-CD1 3.9Å; L112-F131 HydrophobicContact CD2-CD2 3.58Å; L112-F131 HydrophobicContact CD2-CE1 3.85Å; L112-F131 HydrophobicContact CD2-CE2 3.54Å; L112-F131 HydrophobicContact CD2-CG 3.78Å; L112-F131 HydrophobicContact CD2-CZ 3.68Å; L112-F131 HydrophobicContact CG-CE2 4.25Å; L112-F131 HydrophobicContact CG-CZ 4.3Å; L127-F131 HydrophobicContact CD1-CD2 4Å; L127-F131 HydrophobicContact CD1-CE2 3.68Å; L127-F131 HydrophobicContact CD2-CE2 4.48Å; L127-F131 HydrophobicContact CG-CD2 4.02Å; L127-F131 HydrophobicContact CG-CE2 3.89Å; L127-F131 VanDerWaalsContact O-CD2 3.29Å; L127-F131 WeakPolarHBondContact O-CD2 3.39Å; L127-F131 PolarHBondContact O-N 2.76Å; E128-F131 CarbonylContact O-C 3.56Å; E128-F131 WeakPolarHBondContact O-CA 3.47Å; E128-F131 WeakPolarHBondContact O-CB 3.46Å; E128-F131 PolarHBondContact O-N 3.25Å; F131-T134 PolarHBondContact O-N 3.22Å; F131-A135 HydrophobicContact CD1-CB 3.77Å; F131-A135 HydrophobicContact CE1-CB 4.38Å; F131-A135 HydrophobicContact CG-CB 4.44Å; F131-A135 PolarHBondContact O-N 3.09Å; F131-W136 HydrophobicContact CB-CZ2 4.27Å; F131-W136 PolarHBondContact O-N 2.99Å
132Q72.8Confident68.9Low92 Ų9260.2 Ų60.243%0.4330%0.297SS..Hα-helixtrans-65.7-41.9177.3-37.7-160.2-28.700111.4E128 S129 W136 V137E128-Q132 HydrophobicContact CG-CG 4.31Å; E128-Q132 WeakPolarHBondContact O-CG 3.44Å; E128-Q132 PolarHBondContact O-N 3.23Å; E128-Q132 PolarHBondContact OE1-NE2 3.39Å; S129-Q132 PolarHBondContact O-N 3.12Å; Q132-W136 HydrophobicContact CB-CE3 3.74Å; Q132-W136 HydrophobicContact CB-CZ3 4Å; Q132-W136 HydrophobicContact CG-CE3 3.62Å; Q132-W136 HydrophobicContact CG-CH2 4Å; Q132-W136 HydrophobicContact CG-CZ3 3.32Å; Q132-V137 WeakPolarHBondContact O-CG2 3.45Å
133R70.9Confident68.5Low89 Ų8963.4 Ų63.434%0.33630%0.3SS..Hα-helixtrans-74.6-26.4-179.5-68.4167.976.2177.74.9112.6S129 L130 V137 L166 D167 L168S129-R133 WeakPolarHBondContact O-CB 3.37Å; S129-R133 VanDerWaalsContact O-CG 3.31Å; S129-R133 WeakPolarHBondContact O-CG 3.11Å; S129-R133 PolarHBondContact O-N 3.06Å; L130-R133 PolarHBondContact O-N 3.39Å; R133-V137 WeakPolarHBondContact O-CG2 3.4Å; R133-L166 WeakPolarHBondContact O-CD2 3.46Å; R133-L166 WeakPolarHBondContact O-CG 3.45Å; R133-D167 PolarHBondContact NE-O 3.14Å; R133-D167 VanDerWaalsContact NH2-C 3.34Å; R133-D167 PolarHBondContact NH2-O 2.95Å; R133-L168 HydrophobicContact CB-CD2 4.36Å
134T69.6Low68Low1 Ų165.6 Ų65.61%0.00631%0.305CS..THydrogen-bonded Turntrans-112.2-80.4-175.364.10000113.1L112 L130 F131 W136 V137 F138 L166 L168L112-T134 WeakPolarHBondContact CD2-OG1 3.37Å; L130-T134 HydrophobicContact CD1-CG2 4.21Å; L130-T134 WeakPolarHBondContact O-CB 3.48Å; L130-T134 WeakPolarHBondContact O-CG2 3.4Å; L130-T134 PolarHBondContact O-N 3.48Å; L130-T134 PolarHBondContact O-OG1 3.01Å; F131-T134 PolarHBondContact O-N 3.22Å; T134-W136 PolarHBondContact O-N 3.41Å; T134-V137 PolarHBondContact O-N 3.37Å; T134-F138 WeakPolarHBondContact O-CD2 3.38Å; T134-F138 PolarHBondContact O-N 3.33Å; T134-L166 HydrophobicContact CG2-CD2 3.88Å; T134-L168 HydrophobicContact CG2-CD1 3.69Å; T134-L168 HydrophobicContact CG2-CD2 3.71Å; T134-L168 HydrophobicContact CG2-CG 4.15Å
135A68.4Low67.6Low4 Ų464.8 Ų64.83%0.03330%0.304CS..Hα-helixtrans-58.5-43.8-17000000112.5L112 F131 F138 D139L112-A135 HydrophobicContact CD2-CB 4.26Å; F131-A135 HydrophobicContact CD1-CB 3.77Å; F131-A135 HydrophobicContact CE1-CB 4.38Å; F131-A135 HydrophobicContact CG-CB 4.44Å; F131-A135 PolarHBondContact O-N 3.09Å; A135-F138 PolarHBondContact O-N 3.09Å; A135-D139 WeakPolarHBondContact O-CB 3.46Å; A135-D139 PolarHBondContact O-N 2.82Å
136W72.1Confident66.9Low12 Ų1257.5 Ų57.55%0.04527%0.271CS..Hα-helixtrans-76.8-29-176.4-58-14.6000113.5R7 F8 Y9 Q10 E128 F131 Q132 T134 F138 D139 D140R7-W136 HydrophobicContact CG-CH2 4.37Å; R7-W136 HydrophobicContact CG-CZ2 3.89Å; F8-W136 PolarHBondContact O-NE1 3.03Å; Y9-W136 VanDerWaalsContact C-NE1 3.33Å; Q10-W136 HydrophobicContact CB-CB 4.24Å; Q10-W136 HydrophobicContact CB-CD2 3.66Å; Q10-W136 HydrophobicContact CB-CE3 3.85Å; Q10-W136 HydrophobicContact CB-CG 3.8Å; Q10-W136 HydrophobicContact CB-CZ3 4.47Å; Q10-W136 HydrophobicContact CG-CD2 4.03Å; Q10-W136 HydrophobicContact CG-CE3 3.67Å; Q10-W136 HydrophobicContact CG-CG 4.42Å; Q10-W136 HydrophobicContact CG-CZ3 4.17Å; E128-W136 HydrophobicContact CG-CH2 3.83Å; F131-W136 HydrophobicContact CB-CZ2 4.27Å; F131-W136 PolarHBondContact O-N 2.99Å; Q132-W136 HydrophobicContact CB-CE3 3.74Å; Q132-W136 HydrophobicContact CB-CZ3 4Å; Q132-W136 HydrophobicContact CG-CE3 3.62Å; Q132-W136 HydrophobicContact CG-CH2 4Å; Q132-W136 HydrophobicContact CG-CZ3 3.32Å; T134-W136 PolarHBondContact O-N 3.41Å; W136-F138 VanDerWaalsContact C-N 3.33Å; W136-D139 PolarHBondContact O-N 3.08Å; W136-D140 WeakPolarHBondContact O-CB 3.3Å; W136-D140 PolarHBondContact O-N 3.3Å
137V68.6Low66.5Low61 Ų6157.3 Ų57.337%0.3727%0.268SS..Hα-helixtrans-63-43.4171175.10000110.2Q132 R133 T134 D139 K141 L166Q132-V137 WeakPolarHBondContact O-CG2 3.45Å; R133-V137 WeakPolarHBondContact O-CG2 3.4Å; T134-V137 PolarHBondContact O-N 3.37Å; V137-D139 VanDerWaalsContact C-N 3.34Å; V137-K141 WeakPolarHBondContact O-CB 3.3Å; V137-K141 PolarHBondContact O-N 2.84Å; V137-L166 HydrophobicContact CG1-CD1 4.35Å
138F66.2Low66Low3 Ų357.4 Ų57.41%0.01327%0.269CS..Hα-helixtrans-69.1-35.9176.1-68.6-58.1000112.2T134 A135 W136 K141 Y142 A149 A152 F153 I162 L166T134-F138 WeakPolarHBondContact O-CD2 3.38Å; T134-F138 PolarHBondContact O-N 3.33Å; A135-F138 PolarHBondContact O-N 3.09Å; W136-F138 VanDerWaalsContact C-N 3.33Å; F138-K141 PolarHBondContact O-N 2.8Å; F138-Y142 HydrophobicContact CD1-CE2 4.33Å; F138-Y142 VanDerWaalsContact O-CD2 3.29Å; F138-Y142 WeakPolarHBondContact O-CD2 3.22Å; F138-Y142 PolarHBondContact O-N 2.9Å; F138-Y142 VanDerWaalsContact O-N 3.08Å; F138-A149 HydrophobicContact CB-CB 4.46Å; F138-A152 HydrophobicContact CB-CB 3.93Å; F138-A152 HydrophobicContact CD1-CB 3.39Å; F138-A152 HydrophobicContact CD2-CB 4.25Å; F138-A152 HydrophobicContact CE1-CB 3.94Å; F138-A152 HydrophobicContact CG-CB 3.59Å; F138-F153 HydrophobicContact CD2-CE2 4.07Å; F138-F153 HydrophobicContact CE2-CE2 4.25Å; F138-I162 HydrophobicContact CD1-CG2 4.42Å; F138-I162 HydrophobicContact CE1-CG2 3.46Å; F138-I162 VanDerWaalsContact CE1-CG2 3.46Å; F138-I162 HydrophobicContact CZ-CG2 4.01Å; F138-L166 HydrophobicContact CE1-CD1 4Å; F138-L166 HydrophobicContact CE2-CD1 4.03Å; F138-L166 HydrophobicContact CE2-CD2 3.68Å; F138-L166 HydrophobicContact CZ-CD1 3.48Å; F138-L166 VanDerWaalsContact CZ-CD1 3.48Å; F138-L166 HydrophobicContact CZ-CD2 3.94Å; F138-L166 HydrophobicContact CZ-CG 4.4Å
139D64.8Low65.8Low26 Ų2655.1 Ų55.114%0.13926%0.259CS..Hα-helixtrans-64.5-42.8177.2-140.3-68.1000112.3A135 W136 V137 K143 R144 P145 G146A135-D139 WeakPolarHBondContact O-CB 3.46Å; A135-D139 PolarHBondContact O-N 2.82Å; W136-D139 PolarHBondContact O-N 3.08Å; V137-D139 VanDerWaalsContact C-N 3.34Å; D139-K143 WeakPolarHBondContact O-CA 3.14Å; D139-K143 PolarHBondContact O-N 3.38Å; D139-R144 PolarHBondContact O-N 2.69Å; D139-P145 WeakPolarHBondContact OD1-CA 3.29Å; D139-G146 PolarHBondContact OD2-N 3.48Å
140D64.4Low65.7Low115 Ų11555.8 Ų55.862%0.61525%0.254SS*.Hα-helixtrans-66.7-45.3174.4-172.9-100.7000112.3W136 Y142 K143W136-D140 WeakPolarHBondContact O-CB 3.3Å; W136-D140 PolarHBondContact O-N 3.3Å; D140-Y142 VanDerWaalsContact C-N 3.31Å; D140-Y142 PolarHBondContact O-N 2.89Å; D140-K143 WeakPolarHBondContact O-CG 3.47Å; D140-K143 PolarHBondContact O-N 3.44Å
141K64.1Low65.5Low116 Ų11658.4 Ų58.450%0.50427%0.268SS..Hα-helixtrans-60-39.8-179.8-173.7175.9-175177.70112.6V137 F138V137-K141 WeakPolarHBondContact O-CB 3.3Å; V137-K141 PolarHBondContact O-N 2.84Å; F138-K141 PolarHBondContact O-N 2.8Å
142Y60.8Low65.4Low77 Ų7758.3 Ų58.330%0.30227%0.268SS..Hα-helixtrans-95.4-3.7-179-72.5-84.2000113.4F138 D140 R144 A152F138-Y142 HydrophobicContact CD1-CE2 4.33Å; F138-Y142 VanDerWaalsContact O-CD2 3.29Å; F138-Y142 WeakPolarHBondContact O-CD2 3.22Å; F138-Y142 PolarHBondContact O-N 2.9Å; F138-Y142 VanDerWaalsContact O-N 3.08Å; D140-Y142 VanDerWaalsContact C-N 3.31Å; D140-Y142 PolarHBondContact O-N 2.89Å; Y142-R144 WeakPolarHBondContact O-CG 3.44Å; Y142-R144 PolarHBondContact O-N 2.77Å; Y142-A152 HydrophobicContact CD2-CB 4.36Å; Y142-A152 HydrophobicContact CE2-CB 3.77Å
143K56.3Low65.4Low183 Ų18354 Ų5480%0.79625%0.248SC*.THydrogen-bonded Turntrans45.534-177-65.4-171.9175.7-1760113.4D139 D140D139-K143 WeakPolarHBondContact O-CA 3.14Å; D139-K143 PolarHBondContact O-N 3.38Å; D140-K143 WeakPolarHBondContact O-CG 3.47Å; D140-K143 PolarHBondContact O-N 3.44Å
144R61Low65.4Low169 Ų16955.2 Ų55.264%0.63826%0.256SS*.  trans-135.896.6-176.9-75.9-171-178.7178.92.8110D139 Y142 G146 Y147 G148D139-R144 PolarHBondContact O-N 2.69Å; Y142-R144 WeakPolarHBondContact O-CG 3.44Å; Y142-R144 PolarHBondContact O-N 2.77Å; R144-G146 PolarHBondContact O-N 3.31Å; R144-G146 VanDerWaalsContact O-N 3.11Å; R144-Y147 PolarHBondContact O-N 3.07Å; R144-G148 PolarHBondContact O-N 2.95Å
145P56.4Low65.4Low65 Ų6559.1 Ų59.142%0.42227%0.274SS..THydrogen-bonded Turntrans-50.2115.4175.818.1-29.7000112.5Y9 K101 D139 Y147Y9-P145 HydrophobicContact CD1-CB 4.18Å; Y9-P145 HydrophobicContact CE1-CB 4.01Å; K101-P145 VanDerWaalsContact CE-O 3.29Å; K101-P145 WeakPolarHBondContact CE-O 3.46Å; D139-P145 WeakPolarHBondContact OD1-CA 3.29Å; P145-Y147 PolarHBondContact O-N 2.91Å; P145-Y147 VanDerWaalsContact O-N 3.14Å
146G56.3Low65.5Low3 Ų359.3 Ų59.33%0.03128%0.275CS..THydrogen-bonded Turntrans81.8-26.717400000115.5S105 D139 R144S105-G146 VanDerWaalsContact OG-CA 3.3Å; S105-G146 WeakPolarHBondContact OG-CA 3.37Å; D139-G146 PolarHBondContact OD2-N 3.48Å; R144-G146 PolarHBondContact O-N 3.31Å; R144-G146 VanDerWaalsContact O-N 3.11Å
147Y62.6Low65.5Low72 Ų7260.6 Ų60.628%0.28228%0.284SS..Hα-helixtrans-82.4-38.2174.2-77-90.4000112.1K97 D100 K101 K104 R144 P145 Y150 D151K97-Y147 PolarHBondContact O-OH 3.15Å; D100-Y147 WeakPolarHBondContact OD1-CE1 3.33Å; D100-Y147 PolarHBondContact OD1-OH 2.76Å; K101-Y147 HydrophobicContact CB-CE2 3.84Å; K101-Y147 HydrophobicContact CG-CD2 4.46Å; K101-Y147 HydrophobicContact CG-CE2 4.16Å; K104-Y147 HydrophobicContact CD-CD1 4.1Å; K104-Y147 HydrophobicContact CD-CE1 4.01Å; K104-Y147 VanDerWaalsContact NZ-CE1 3.32Å; R144-Y147 PolarHBondContact O-N 3.07Å; P145-Y147 PolarHBondContact O-N 2.91Å; P145-Y147 VanDerWaalsContact O-N 3.14Å; Y147-Y150 PolarHBondContact O-N 2.87Å; Y147-D151 VanDerWaalsContact O-CB 3.28Å; Y147-D151 WeakPolarHBondContact O-CB 3.16Å; Y147-D151 PolarHBondContact O-N 2.89Å
148G60.9Low65.4Low2 Ų262.5 Ų62.52%0.02130%0.301CS..Hα-helixtrans-63.2-44-176.800000112.9R144 A152R144-G148 PolarHBondContact O-N 2.95Å; G148-A152 WeakPolarHBondContact O-CB 3.46Å; G148-A152 PolarHBondContact O-N 2.98Å
149A66.7Low65.5Low6 Ų666.2 Ų66.25%0.0532%0.32CS..Hα-helixtrans-65.7-45.417800000112.2V108 F138 A152 F153V108-A149 HydrophobicContact CG1-CB 4.34Å; V108-A149 HydrophobicContact CG2-CB 4.45Å; F138-A149 HydrophobicContact CB-CB 4.46Å; A149-A152 PolarHBondContact O-N 3.32Å; A149-F153 WeakPolarHBondContact O-CB 3.32Å; A149-F153 WeakPolarHBondContact O-CD2 3.46Å; A149-F153 WeakPolarHBondContact O-CG 3.13Å; A149-F153 PolarHBondContact O-N 3.19Å
150Y69.5Low65.5Low65 Ų6568.4 Ų68.426%0.25534%0.336SS..Hα-helixtrans-65.9-41.9179-178-91.8000112.3K104 T107 V108 Y147 F153 K154 L184K104-Y150 HydrophobicContact CB-CD2 4.11Å; K104-Y150 HydrophobicContact CB-CG 3.96Å; K104-Y150 HydrophobicContact CD-CD1 4.14Å; K104-Y150 HydrophobicContact CD-CG 4.34Å; K104-Y150 HydrophobicContact CG-CD1 4.06Å; K104-Y150 HydrophobicContact CG-CD2 4.16Å; K104-Y150 HydrophobicContact CG-CE1 4.43Å; K104-Y150 HydrophobicContact CG-CG 3.91Å; T107-Y150 HydrophobicContact CG2-CE2 4.32Å; V108-Y150 HydrophobicContact CG2-CD2 4.29Å; Y147-Y150 PolarHBondContact O-N 2.87Å; Y150-F153 PolarHBondContact O-N 2.89Å; Y150-K154 PolarHBondContact O-N 3Å; Y150-L184 HydrophobicContact CE2-CD1 3.98Å; Y150-L184 HydrophobicContact CE2-CD2 4.27Å; Y150-L184 HydrophobicContact CE2-CG 4.43Å
151D70.8Confident65.4Low62 Ų6265.9 Ų65.933%0.33233%0.331SS..Hα-helixtrans-67-41.2178.6-165.9-110.6000111.4Y147 F153 K154 H155Y147-D151 VanDerWaalsContact O-CB 3.28Å; Y147-D151 WeakPolarHBondContact O-CB 3.16Å; Y147-D151 PolarHBondContact O-N 2.89Å; D151-F153 VanDerWaalsContact C-N 3.32Å; D151-F153 PolarHBondContact O-N 2.82Å; D151-K154 WeakPolarHBondContact O-CB 3.45Å; D151-K154 PolarHBondContact O-N 3.42Å; D151-H155 PolarHBondContact O-N 3.48Å; D151-H155 PolarHBondContact O-ND1 2.84Å; D151-H155 IonicContact OD1-CE1 3.86Å; D151-H155 PolarHBondContact OD1-CE1 2.83Å; D151-H155 IonicContact OD1-ND1 3.49Å; D151-H155 PolarHBondContact OD1-ND1 2.89Å; D151-H155 IonicContact OD2-CE1 2.97Å; D151-H155 IonicContact OD2-ND1 3.26Å
152A69.9Low65.5Low1 Ų161.7 Ų61.71%0.00831%0.314CS..Hα-helixtrans-60.8-4017200000112.2F138 Y142 G148 A149 K154 H155 A156F138-A152 HydrophobicContact CB-CB 3.93Å; F138-A152 HydrophobicContact CD1-CB 3.39Å; F138-A152 HydrophobicContact CD2-CB 4.25Å; F138-A152 HydrophobicContact CE1-CB 3.94Å; F138-A152 HydrophobicContact CG-CB 3.59Å; Y142-A152 HydrophobicContact CD2-CB 4.36Å; Y142-A152 HydrophobicContact CE2-CB 3.77Å; G148-A152 WeakPolarHBondContact O-CB 3.46Å; G148-A152 PolarHBondContact O-N 2.98Å; A149-A152 PolarHBondContact O-N 3.32Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-H155 PolarHBondContact O-N 2.76Å; A152-A156 VanDerWaalsContact O-CB 3.23Å; A152-A156 WeakPolarHBondContact O-CB 3.49Å; A152-A156 PolarHBondContact O-N 2.77Å
153F72.6Confident65.6Low2 Ų258.1 Ų58.11%0.00930%0.3CS..Hα-helixtrans-68.2-32.6176.7-85.8-125.8000112.2V108 I111 L112 F138 A149 Y150 D151 A156 L176 I180 L184V108-F153 HydrophobicContact CG1-CE1 4.48Å; V108-F153 HydrophobicContact CG1-CE2 4.49Å; V108-F153 HydrophobicContact CG1-CZ 4.32Å; I111-F153 HydrophobicContact CD1-CD1 4.46Å; I111-F153 HydrophobicContact CG2-CE1 4.24Å; L112-F153 HydrophobicContact CD1-CE1 3.82Å; L112-F153 HydrophobicContact CD1-CZ 3.67Å; F138-F153 HydrophobicContact CD2-CE2 4.07Å; F138-F153 HydrophobicContact CE2-CE2 4.25Å; A149-F153 WeakPolarHBondContact O-CB 3.32Å; A149-F153 WeakPolarHBondContact O-CD2 3.46Å; A149-F153 WeakPolarHBondContact O-CG 3.13Å; A149-F153 PolarHBondContact O-N 3.19Å; Y150-F153 PolarHBondContact O-N 2.89Å; D151-F153 VanDerWaalsContact C-N 3.32Å; D151-F153 PolarHBondContact O-N 2.82Å; F153-A156 WeakPolarHBondContact O-CB 3.41Å; F153-L176 HydrophobicContact CE1-CD1 4.11Å; F153-L176 HydrophobicContact CZ-CD1 4.34Å; F153-I180 HydrophobicContact CD1-CD1 3.42Å; F153-I180 VanDerWaalsContact CD1-CD1 3.42Å; F153-I180 HydrophobicContact CD1-CG1 3.59Å; F153-I180 HydrophobicContact CE1-CD1 3.59Å; F153-I180 HydrophobicContact CE1-CG1 3.87Å; F153-I180 HydrophobicContact CG-CD1 4.07Å; F153-I180 HydrophobicContact CZ-CD1 4.38Å; F153-I180 WeakPolarHBondContact O-CG2 3.45Å; F153-L184 HydrophobicContact CB-CD2 3.87Å
154K71.6Confident65.8Low114 Ų11454.7 Ų54.750%0.49629%0.29SS..Hα-helixtrans-69.7-45.3172.6-171.5-174.6175.7-163.90111.1Y150 D151 A152 A156 V157Y150-K154 PolarHBondContact O-N 3Å; D151-K154 WeakPolarHBondContact O-CB 3.45Å; D151-K154 PolarHBondContact O-N 3.42Å; A152-K154 VanDerWaalsContact C-N 3.33Å; K154-A156 PolarHBondContact O-N 3.46Å; K154-V157 WeakPolarHBondContact O-CB 3.5Å; K154-V157 PolarHBondContact O-N 2.88Å
155H69.6Low65.6Low83 Ų8350.1 Ų50.138%0.38429%0.285SS..Hα-helixtrans-66.6-29.2175.9-72.481.3000111.9D151 A152 V157 S158 D159 I162D151-H155 PolarHBondContact O-N 3.48Å; D151-H155 PolarHBondContact O-ND1 2.84Å; D151-H155 IonicContact OD1-CE1 3.86Å; D151-H155 PolarHBondContact OD1-CE1 2.83Å; D151-H155 IonicContact OD1-ND1 3.49Å; D151-H155 PolarHBondContact OD1-ND1 2.89Å; D151-H155 IonicContact OD2-CE1 2.97Å; D151-H155 IonicContact OD2-ND1 3.26Å; A152-H155 PolarHBondContact O-N 2.76Å; H155-V157 PolarHBondContact O-N 3.07Å; H155-S158 CarbonylContact O-C 3.59Å; H155-S158 PolarHBondContact O-N 2.87Å; H155-D159 PolarHBondContact O-N 2.68Å; H155-I162 HydrophobicContact CB-CD1 3.45Å; H155-I162 VanDerWaalsContact CB-CD1 3.45Å
156A70.5Confident65.8Low8 Ų847.8 Ų47.87%0.06627%0.269CS..Hα-helixtrans-61.8-24.2173.600000114.2A152 F153 K154 L163A152-A156 VanDerWaalsContact O-CB 3.23Å; A152-A156 WeakPolarHBondContact O-CB 3.49Å; A152-A156 PolarHBondContact O-N 2.77Å; F153-A156 WeakPolarHBondContact O-CB 3.41Å; K154-A156 PolarHBondContact O-N 3.46Å; A156-L163 HydrophobicContact CB-CD1 3.46Å; A156-L163 VanDerWaalsContact CB-CD1 3.46Å; A156-L163 HydrophobicContact CB-CG 4.24Å
157V71.6Confident65.7Low39 Ų3954.3 Ų54.324%0.23630%0.303CS..Hα-helixtrans-71.7-38172.3177.10000110.7K154 H155 I180 L184K154-V157 WeakPolarHBondContact O-CB 3.5Å; K154-V157 PolarHBondContact O-N 2.88Å; H155-V157 PolarHBondContact O-N 3.07Å; V157-I180 HydrophobicContact CG2-CG2 3.56Å; V157-L184 HydrophobicContact CG2-CB 4.44Å
158S67.9Low65.8Low102 Ų10252.1 Ų52.171%0.71330%0.296SS*.Hα-helixtrans-85.8-38.8-177.3-55.40000112.9H155H155-S158 CarbonylContact O-C 3.59Å; H155-S158 PolarHBondContact O-N 2.87Å
159D66.5Low66.2Low80 Ų8055.1 Ų55.143%0.42831%0.314SS..  trans-132.4101.9-176.8-166.9-61.6000110.2H155 A161 I162H155-D159 PolarHBondContact O-N 2.68Å; D159-A161 PolarHBondContact O-N 2.8Å; D159-A161 WeakPolarHBondContact OD1-CA 3.47Å; D159-A161 WeakPolarHBondContact OD1-CB 3.15Å; D159-A161 PolarHBondContact OD1-N 3.42Å; D159-I162 HydrophobicContact CB-CD1 4.37Å
160P64.9Low66.2Low73 Ų7363 Ų6347%0.47435%0.349SS..G310 helixtrans-72.3-7.3-179.828.1-33.5000113.7I162 L163 R173P160-I162 VanDerWaalsContact C-N 3.3Å; P160-I162 PolarHBondContact O-N 3.45Å; P160-L163 PolarHBondContact O-N 3.19Å; P160-R173 PolarHBondContact O-NH2 3.36Å
161A63.8Low66.4Low62 Ų6266.3 Ų66.351%0.51237%0.367SS..G310 helixtrans-74.2-21.5-178.600000112.5D159 L163 D164D159-A161 PolarHBondContact O-N 2.8Å; D159-A161 WeakPolarHBondContact OD1-CA 3.47Å; D159-A161 WeakPolarHBondContact OD1-CB 3.15Å; D159-A161 PolarHBondContact OD1-N 3.42Å; A161-L163 PolarHBondContact O-N 3.18Å; A161-D164 VanDerWaalsContact O-CB 3.27Å; A161-D164 WeakPolarHBondContact O-CB 3.31Å; A161-D164 PolarHBondContact O-N 3.32Å
162I65.4Low66.5Low27 Ų2764.4 Ų64.414%0.13836%0.356CS..G310 helixtrans-60.9-31.9174-62.7170.4000111.2F138 H155 D159 P160 D164 S165F138-I162 HydrophobicContact CD1-CG2 4.42Å; F138-I162 HydrophobicContact CE1-CG2 3.46Å; F138-I162 VanDerWaalsContact CE1-CG2 3.46Å; F138-I162 HydrophobicContact CZ-CG2 4.01Å; H155-I162 HydrophobicContact CB-CD1 3.45Å; H155-I162 VanDerWaalsContact CB-CD1 3.45Å; D159-I162 HydrophobicContact CB-CD1 4.37Å; P160-I162 VanDerWaalsContact C-N 3.3Å; P160-I162 PolarHBondContact O-N 3.45Å; I162-D164 VanDerWaalsContact C-N 3.34Å; I162-S165 PolarHBondContact O-OG 3.08Å
163L62.4Low66.6Low3 Ų367.3 Ų67.32%0.01637%0.367CS..G310 helixtrans-80.1-11.7175.6-69.6123.7000113.9A156 P160 A161 S165 L166 L176 I177A156-L163 HydrophobicContact CB-CD1 3.46Å; A156-L163 VanDerWaalsContact CB-CD1 3.46Å; A156-L163 HydrophobicContact CB-CG 4.24Å; P160-L163 PolarHBondContact O-N 3.19Å; A161-L163 PolarHBondContact O-N 3.18Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-L166 PolarHBondContact O-N 3.06Å; L163-L176 HydrophobicContact CD2-CD2 3.66Å; L163-I177 HydrophobicContact CD1-CD1 4.2Å; L163-I177 HydrophobicContact CD1-CG1 4.04Å; L163-I177 HydrophobicContact CD2-CG1 4.39Å
164D59.9Low66.8Low110 Ų11076 Ų7659%0.58840%0.4SS*.THydrogen-bonded Turntrans-77.2-26.4-178.6-140.9-104.4000111.6A161 I162 L166 R173A161-D164 VanDerWaalsContact O-CB 3.27Å; A161-D164 WeakPolarHBondContact O-CB 3.31Å; A161-D164 PolarHBondContact O-N 3.32Å; I162-D164 VanDerWaalsContact C-N 3.34Å; D164-L166 PolarHBondContact O-N 3.24Å; D164-L166 VanDerWaalsContact O-N 3.16Å; D164-R173 IonicContact OD2-CZ 3.18Å; D164-R173 VanDerWaalsContact OD2-CZ 3.22Å; D164-R173 IonicContact OD2-NH1 3.23Å; D164-R173 PolarHBondContact OD2-NH1 3.48Å; D164-R173 IonicContact OD2-NH2 3.61Å; D164-R173 PolarHBondContact OD2-NH2 2.97Å
165S58.5Low67.3Low74 Ų7471.8 Ų71.852%0.51738%0.384SS..THydrogen-bonded Turntrans-71.80.217463.80000114.5I162 L163I162-S165 PolarHBondContact O-OG 3.08Å; L163-S165 VanDerWaalsContact C-N 3.33Å
166L60.5Low67.7Low16 Ų1668 Ų688%0.08437%0.366CS..SBendtrans-103.9127179.1-87.568.4000110.1R133 T134 V137 F138 L163 D164 L168R133-L166 WeakPolarHBondContact O-CD2 3.46Å; R133-L166 WeakPolarHBondContact O-CG 3.45Å; T134-L166 HydrophobicContact CG2-CD2 3.88Å; V137-L166 HydrophobicContact CG1-CD1 4.35Å; F138-L166 HydrophobicContact CE1-CD1 4Å; F138-L166 HydrophobicContact CE2-CD1 4.03Å; F138-L166 HydrophobicContact CE2-CD2 3.68Å; F138-L166 HydrophobicContact CZ-CD1 3.48Å; F138-L166 VanDerWaalsContact CZ-CD1 3.48Å; F138-L166 HydrophobicContact CZ-CD2 3.94Å; F138-L166 HydrophobicContact CZ-CG 4.4Å; L163-L166 PolarHBondContact O-N 3.06Å; D164-L166 PolarHBondContact O-N 3.24Å; D164-L166 VanDerWaalsContact O-N 3.16Å; L166-L168 HydrophobicContact CB-CD1 3.99Å; L166-L168 HydrophobicContact CB-CG 4.11Å; L166-L168 HydrophobicContact CD2-CD1 3.79Å; L166-L168 HydrophobicContact CD2-CG 4.41Å; L166-L168 PolarHBondContact O-N 2.79Å
167D54.4Low68.1Low139 Ų13969.8 Ų69.874%0.74337%0.374SS*.  trans-63.287.1161.9-70.5-84000108.4R133R133-D167 PolarHBondContact NE-O 3.14Å; R133-D167 VanDerWaalsContact NH2-C 3.34Å; R133-D167 PolarHBondContact NH2-O 2.95Å
168L63.5Low68.5Low27 Ų2771 Ų7114%0.14138%0.379CS..  trans-126.2149.4171.6-76.6167.8000109.1L130 R133 T134 L166 E172 L176L130-L168 HydrophobicContact CD1-CD2 4Å; R133-L168 HydrophobicContact CB-CD2 4.36Å; T134-L168 HydrophobicContact CG2-CD1 3.69Å; T134-L168 HydrophobicContact CG2-CD2 3.71Å; T134-L168 HydrophobicContact CG2-CG 4.15Å; L166-L168 HydrophobicContact CB-CD1 3.99Å; L166-L168 HydrophobicContact CB-CG 4.11Å; L166-L168 HydrophobicContact CD2-CD1 3.79Å; L166-L168 HydrophobicContact CD2-CG 4.41Å; L166-L168 PolarHBondContact O-N 2.79Å; L168-E172 HydrophobicContact CD2-CB 4.49Å; L168-L176 HydrophobicContact CD1-CD2 4.41Å
169T69.8Low69Low64 Ų6466.6 Ų66.639%0.39335%0.348SS..  trans-65.3140171.7-42.60000108.4E171 E172 R173T169-E171 PolarHBondContact O-N 3.11Å; T169-E171 VanDerWaalsContact O-N 3.08Å; T169-E172 VanDerWaalsContact CB-OE2 3.31Å; T169-E172 WeakPolarHBondContact CB-OE2 3.2Å; T169-E172 PolarHBondContact N-OE2 3.26Å; T169-E172 WeakPolarHBondContact O-CB 3.34Å; T169-E172 PolarHBondContact O-N 2.92Å; T169-E172 VanDerWaalsContact OG1-CD 3.31Å; T169-E172 PolarHBondContact OG1-OE2 3.47Å; T169-R173 PolarHBondContact O-N 2.9Å
170E67.2Low69.6Low171 Ų17162.9 Ų62.980%0.79933%0.328SS*.Hα-helixtrans-56-31.1-177.3-164.1171.6118.800112.5R174E170-R174 PolarHBondContact O-N 3.38Å; E170-R174 VanDerWaalsContact O-N 3.07Å
171E72.2Confident70.1Confident136 Ų13662.1 Ų62.164%0.63632%0.32SS*.Hα-helixtrans-68.5-44.5174.5-59.7-173.590.200113T169 R173 R174 V175T169-E171 PolarHBondContact O-N 3.11Å; T169-E171 VanDerWaalsContact O-N 3.08Å; E171-R173 VanDerWaalsContact C-N 3.31Å; E171-R173 PolarHBondContact O-N 3.46Å; E171-R174 PolarHBondContact O-N 3.19Å; E171-V175 WeakPolarHBondContact O-CG2 3.32Å; E171-V175 PolarHBondContact O-N 2.98Å; E171-V175 VanDerWaalsContact O-N 3.13Å
172E73.9Confident70.7Confident22 Ų2268.1 Ų68.110%0.10333%0.329CS..Hα-helixtrans-61.6-43.4175.8-66164.8164.800110L119 Y121 L168 T169 V175 L176L119-E172 HydrophobicContact CD1-CB 4.41Å; L119-E172 HydrophobicContact CD1-CG 3.88Å; Y121-E172 PolarHBondContact OH-OE1 2.89Å; L168-E172 HydrophobicContact CD2-CB 4.49Å; T169-E172 VanDerWaalsContact CB-OE2 3.31Å; T169-E172 WeakPolarHBondContact CB-OE2 3.2Å; T169-E172 PolarHBondContact N-OE2 3.26Å; T169-E172 WeakPolarHBondContact O-CB 3.34Å; T169-E172 PolarHBondContact O-N 2.92Å; T169-E172 VanDerWaalsContact OG1-CD 3.31Å; T169-E172 PolarHBondContact OG1-OE2 3.47Å; E172-V175 PolarHBondContact O-N 2.92Å; E172-L176 WeakPolarHBondContact O-CB 3.49Å; E172-L176 PolarHBondContact O-N 3.28Å
173R72.4Confident70.9Confident61 Ų6174.7 Ų74.723%0.2335%0.352CS..Hα-helixtrans-62.1-45.1179-171-177.4-172.9-169.48.3111.7P160 D164 T169 E171 L176 I177P160-R173 PolarHBondContact O-NH2 3.36Å; D164-R173 IonicContact OD2-CZ 3.18Å; D164-R173 VanDerWaalsContact OD2-CZ 3.22Å; D164-R173 IonicContact OD2-NH1 3.23Å; D164-R173 PolarHBondContact OD2-NH1 3.48Å; D164-R173 IonicContact OD2-NH2 3.61Å; D164-R173 PolarHBondContact OD2-NH2 2.97Å; T169-R173 PolarHBondContact O-N 2.9Å; E171-R173 VanDerWaalsContact C-N 3.31Å; E171-R173 PolarHBondContact O-N 3.46Å; R173-L176 PolarHBondContact O-N 2.88Å; R173-I177 HydrophobicContact CG-CD1 3.86Å; R173-I177 HydrophobicContact CG-CG1 4.49Å; R173-I177 WeakPolarHBondContact O-CB 3.19Å; R173-I177 VanDerWaalsContact O-CG1 3.3Å; R173-I177 WeakPolarHBondContact O-CG1 3.43Å; R173-I177 PolarHBondContact O-N 2.87Å
174R77.1Confident71.2Confident186 Ų18675.4 Ų75.470%0.70236%0.356SS*.Hα-helixtrans-63.8-45.7-179.8-168.4-177.873-170.1-0.7111.8E170 E171 L176 I177 D178E170-R174 PolarHBondContact O-N 3.38Å; E170-R174 VanDerWaalsContact O-N 3.07Å; E171-R174 PolarHBondContact O-N 3.19Å; R174-L176 VanDerWaalsContact C-N 3.32Å; R174-I177 PolarHBondContact O-N 2.65Å; R174-D178 PolarHBondContact O-N 2.97Å
175V80.6Confident71.4Confident25 Ų2573.5 Ų73.515%0.15235%0.349CS..Hα-helixtrans-67.1-36.8178.7176.50000111V115 V118 E171 E172 N179V115-V175 HydrophobicContact CG1-CG1 4.18Å; V115-V175 HydrophobicContact CG2-CG1 4.32Å; V118-V175 HydrophobicContact CB-CG1 4.21Å; V118-V175 HydrophobicContact CG1-CG1 3.83Å; E171-V175 WeakPolarHBondContact O-CG2 3.32Å; E171-V175 PolarHBondContact O-N 2.98Å; E171-V175 VanDerWaalsContact O-N 3.13Å; E172-V175 PolarHBondContact O-N 2.92Å; V175-N179 WeakPolarHBondContact O-CB 3.3Å; V175-N179 PolarHBondContact O-N 3.17Å; V175-N179 PolarHBondContact O-ND2 3.43Å
176L78.7Confident71.6Confident4 Ų472.7 Ų72.72%0.02134%0.341CS..Hα-helixtrans-63.5-49.6174.4-173.173.4000110.9I111 V115 F153 L163 L168 E172 R173 R174 D178 N179 I180I111-L176 HydrophobicContact CG2-CD1 4.36Å; V115-L176 HydrophobicContact CG2-CD1 3.95Å; F153-L176 HydrophobicContact CE1-CD1 4.11Å; F153-L176 HydrophobicContact CZ-CD1 4.34Å; L163-L176 HydrophobicContact CD2-CD2 3.66Å; L168-L176 HydrophobicContact CD1-CD2 4.41Å; E172-L176 WeakPolarHBondContact O-CB 3.49Å; E172-L176 PolarHBondContact O-N 3.28Å; R173-L176 PolarHBondContact O-N 2.88Å; R174-L176 VanDerWaalsContact C-N 3.32Å; L176-D178 PolarHBondContact O-N 3.2Å; L176-N179 PolarHBondContact O-N 3.4Å; L176-I180 HydrophobicContact CD1-CD1 4.27Å; L176-I180 HydrophobicContact CD2-CD1 4.26Å; L176-I180 HydrophobicContact CG-CD1 3.75Å; L176-I180 HydrophobicContact CG-CG1 4.34Å; L176-I180 WeakPolarHBondContact O-CB 3.44Å; L176-I180 WeakPolarHBondContact O-CG1 3.3Å; L176-I180 PolarHBondContact O-N 3.39Å
177I78.3Confident71.7Confident45 Ų4580.3 Ų80.323%0.23138%0.376CS..Hα-helixtrans-62.8-43.6179.4-69.1169.7000111.4L163 R173 R174 N179 I180 N181L163-I177 HydrophobicContact CD1-CD1 4.2Å; L163-I177 HydrophobicContact CD1-CG1 4.04Å; L163-I177 HydrophobicContact CD2-CG1 4.39Å; R173-I177 HydrophobicContact CG-CD1 3.86Å; R173-I177 HydrophobicContact CG-CG1 4.49Å; R173-I177 WeakPolarHBondContact O-CB 3.19Å; R173-I177 VanDerWaalsContact O-CG1 3.3Å; R173-I177 WeakPolarHBondContact O-CG1 3.43Å; R173-I177 PolarHBondContact O-N 2.87Å; R174-I177 PolarHBondContact O-N 2.65Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 2.75Å; I177-I180 PolarHBondContact O-N 3Å; I177-N181 WeakPolarHBondContact O-CB 3.16Å; I177-N181 PolarHBondContact O-N 3.01Å; I177-N181 PolarHBondContact O-ND2 2.78Å
178D80.3Confident72.3Confident64 Ų6476.1 Ų76.134%0.34236%0.361SS..Hα-helixtrans-60-41.8175.7176.8-100.6000111.3R174 L176 N181 R182R174-D178 PolarHBondContact O-N 2.97Å; L176-D178 PolarHBondContact O-N 3.2Å; D178-N181 PolarHBondContact O-N 2.87Å; D178-R182 WeakPolarHBondContact O-CB 3.48Å; D178-R182 VanDerWaalsContact O-CG 3.27Å; D178-R182 WeakPolarHBondContact O-CG 3.24Å; D178-R182 PolarHBondContact O-N 3.42Å; D178-R182 IonicContact OD1-CZ 3.09Å; D178-R182 IonicContact OD1-NE 3.3Å; D178-R182 PolarHBondContact OD1-NE 2.86Å; D178-R182 IonicContact OD1-NH1 3.79Å; D178-R182 IonicContact OD1-NH2 2.58Å; D178-R182 PolarHBondContact OD1-NH2 3.16Å; D178-R182 IonicContact OD2-CZ 3.91Å; D178-R182 IonicContact OD2-NE 3.77Å; D178-R182 PolarHBondContact OD2-NE 3.48Å; D178-R182 IonicContact OD2-NH2 2.9Å; D178-R182 PolarHBondContact OD2-NH2 3.07Å
179N78.7Confident72.9Confident9 Ų976.1 Ų76.15%0.04836%0.362CS..Hα-helixtrans-70.7-39.8177.8-85.7-66.7000113.9I111 H114 V115 V175 L176 I177 R182 R183I111-N179 HydrophobicContact CG2-CB 4.23Å; H114-N179 PolarHBondContact CD2-OD1 3.5Å; H114-N179 VanDerWaalsContact CD2-OD1 3.23Å; V115-N179 HydrophobicContact CG2-CB 4.02Å; V175-N179 WeakPolarHBondContact O-CB 3.3Å; V175-N179 PolarHBondContact O-N 3.17Å; V175-N179 PolarHBondContact O-ND2 3.43Å; L176-N179 PolarHBondContact O-N 3.4Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 2.75Å; N179-R182 PolarHBondContact O-N 3.4Å; N179-R183 VanDerWaalsContact O-CB 3.3Å; N179-R183 WeakPolarHBondContact O-CB 3.38Å; N179-R183 WeakPolarHBondContact O-CG 3.41Å; N179-R183 PolarHBondContact O-N 2.87Å
180I79.1Confident73.3Confident3 Ų376.6 Ų76.62%0.01536%0.359CS..Hα-helixtrans-62.1-46.9173.6-66.8171.7000108.8I111 F153 V157 L176 I177 R182 R183 L184I111-I180 HydrophobicContact CG2-CG1 4.15Å; F153-I180 HydrophobicContact CD1-CD1 3.42Å; F153-I180 VanDerWaalsContact CD1-CD1 3.42Å; F153-I180 HydrophobicContact CD1-CG1 3.59Å; F153-I180 HydrophobicContact CE1-CD1 3.59Å; F153-I180 HydrophobicContact CE1-CG1 3.87Å; F153-I180 HydrophobicContact CG-CD1 4.07Å; F153-I180 HydrophobicContact CZ-CD1 4.38Å; F153-I180 WeakPolarHBondContact O-CG2 3.45Å; V157-I180 HydrophobicContact CG2-CG2 3.56Å; L176-I180 HydrophobicContact CD1-CD1 4.27Å; L176-I180 HydrophobicContact CD2-CD1 4.26Å; L176-I180 HydrophobicContact CG-CD1 3.75Å; L176-I180 HydrophobicContact CG-CG1 4.34Å; L176-I180 WeakPolarHBondContact O-CB 3.44Å; L176-I180 WeakPolarHBondContact O-CG1 3.3Å; L176-I180 PolarHBondContact O-N 3.39Å; I177-I180 PolarHBondContact O-N 3Å; I180-R182 PolarHBondContact O-N 3.07Å; I180-R183 PolarHBondContact O-N 2.81Å; I180-L184 HydrophobicContact CG2-CB 4.08Å; I180-L184 HydrophobicContact CG2-CD2 4.37Å; I180-L184 VanDerWaalsContact O-CA 3.27Å; I180-L184 WeakPolarHBondContact O-CA 3.49Å; I180-L184 WeakPolarHBondContact O-CB 3.4Å; I180-L184 PolarHBondContact O-N 3.28Å
181N75.5Confident74Confident57 Ų5768.5 Ų68.531%0.30532%0.321SS..Hα-helixtrans-61.8-45.9176.6-75.5-27.3000111.2I177 D178 R183 T185I177-N181 WeakPolarHBondContact O-CB 3.16Å; I177-N181 PolarHBondContact O-N 3.01Å; I177-N181 PolarHBondContact O-ND2 2.78Å; D178-N181 PolarHBondContact O-N 2.87Å; N181-R183 VanDerWaalsContact C-N 3.31Å; N181-R183 PolarHBondContact O-N 2.77Å; N181-T185 VanDerWaalsContact C-OG1 3.23Å; N181-T185 WeakPolarHBondContact CA-OG1 3.29Å; N181-T185 WeakPolarHBondContact O-CB 3.42Å; N181-T185 PolarHBondContact O-N 2.95Å; N181-T185 PolarHBondContact O-OG1 2.83Å
182R75.8Confident74.4Confident188 Ų18862.9 Ų62.971%0.70929%0.294SS*.Hα-helixtrans-63.1-34.3179.2-73.8176.2-170.3-161.17.4114.2D178 N179 I180D178-R182 WeakPolarHBondContact O-CB 3.48Å; D178-R182 VanDerWaalsContact O-CG 3.27Å; D178-R182 WeakPolarHBondContact O-CG 3.24Å; D178-R182 PolarHBondContact O-N 3.42Å; D178-R182 IonicContact OD1-CZ 3.09Å; D178-R182 IonicContact OD1-NE 3.3Å; D178-R182 PolarHBondContact OD1-NE 2.86Å; D178-R182 IonicContact OD1-NH1 3.79Å; D178-R182 IonicContact OD1-NH2 2.58Å; D178-R182 PolarHBondContact OD1-NH2 3.16Å; D178-R182 IonicContact OD2-CZ 3.91Å; D178-R182 IonicContact OD2-NE 3.77Å; D178-R182 PolarHBondContact OD2-NE 3.48Å; D178-R182 IonicContact OD2-NH2 2.9Å; D178-R182 PolarHBondContact OD2-NH2 3.07Å; N179-R182 PolarHBondContact O-N 3.4Å; I180-R182 PolarHBondContact O-N 3.07Å
183R70.5Confident74.9Confident164 Ų16461.8 Ų61.862%0.61929%0.289SS*.Hα-helixtrans-96.2-30.3-174.4-72.1-79.1-174.9-160.6-1.8113.9I111 N179 I180 N181I111-R183 HydrophobicContact CD1-CB 4.2Å; I111-R183 HydrophobicContact CG1-CB 4.15Å; I111-R183 HydrophobicContact CG1-CG 4.21Å; N179-R183 VanDerWaalsContact O-CB 3.3Å; N179-R183 WeakPolarHBondContact O-CB 3.38Å; N179-R183 WeakPolarHBondContact O-CG 3.41Å; N179-R183 PolarHBondContact O-N 2.87Å; I180-R183 PolarHBondContact O-N 2.81Å; N181-R183 VanDerWaalsContact C-N 3.31Å; N181-R183 PolarHBondContact O-N 2.77Å
184L68.7Low75.5Confident19 Ų1960.3 Ų60.310%0.09929%0.286CS..Hα-helixtrans-122.1-4-166.8-120.972.2000113.4T107 I111 Y150 F153 V157 I180 P186T107-L184 HydrophobicContact CG2-CD1 3.8Å; I111-L184 HydrophobicContact CD1-CD1 4.01Å; Y150-L184 HydrophobicContact CE2-CD1 3.98Å; Y150-L184 HydrophobicContact CE2-CD2 4.27Å; Y150-L184 HydrophobicContact CE2-CG 4.43Å; F153-L184 HydrophobicContact CB-CD2 3.87Å; V157-L184 HydrophobicContact CG2-CB 4.44Å; I180-L184 HydrophobicContact CG2-CB 4.08Å; I180-L184 HydrophobicContact CG2-CD2 4.37Å; I180-L184 VanDerWaalsContact O-CA 3.27Å; I180-L184 WeakPolarHBondContact O-CA 3.49Å; I180-L184 WeakPolarHBondContact O-CB 3.4Å; I180-L184 PolarHBondContact O-N 3.28Å; L184-P186 WeakPolarHBondContact O-CD 3.29Å
185T63.2Low75.8Confident70 Ų7051.5 Ų51.543%0.42925%0.253SS..SBendtrans-55.5120.1171.6-660000107.7N181 Q187N181-T185 VanDerWaalsContact C-OG1 3.23Å; N181-T185 WeakPolarHBondContact CA-OG1 3.29Å; N181-T185 WeakPolarHBondContact O-CB 3.42Å; N181-T185 PolarHBondContact O-N 2.95Å; N181-T185 PolarHBondContact O-OG1 2.83Å; T185-Q187 PolarHBondContact O-N 3.36Å
186P63.3Low76Confident56 Ų5652.3 Ų52.336%0.36426%0.255SS..PPolyproline II helixtrans-57.2118.1176.122.3-30.5000107.4L184 A188 L242L184-P186 WeakPolarHBondContact O-CD 3.29Å; P186-A188 PolarHBondContact O-N 2.81Å; P186-L242 WeakPolarHBondContact O-CD2 3.23Å
187Q61.7Low76Confident176 Ų17652.4 Ų52.482%0.82226%0.255SS*.PPolyproline II helixtrans-59.7130.9170.9-69.6-172.7-8.500107.3T185 V189T185-Q187 PolarHBondContact O-N 3.36Å; Q187-V189 WeakPolarHBondContact O-CG2 3.01Å; Q187-V189 PolarHBondContact O-N 3.07Å; Q187-V189 VanDerWaalsContact O-N 3.07Å
188A67.9Low76.1Confident52 Ų5250.9 Ų50.943%0.4325%0.25SC..PPolyproline II helixtrans-57.7120.5-177.800000109P186 T240 T241 L242P186-A188 PolarHBondContact O-N 2.81Å; A188-T240 HydrophobicContact CB-CG2 3.45Å; A188-T240 VanDerWaalsContact CB-CG2 3.45Å; A188-T241 CarbonylContact C-O 3.45Å; A188-T241 WeakPolarHBondContact CA-O 3.16Å; A188-L242 HydrophobicContact CB-CD2 4.13Å
189V76.6Confident76Confident26 Ų2649.1 Ų49.116%0.15824%0.242CC..EExtended strand (participates in β ladder)trans-87.2127-177.4-179.30000107.5Q187 T241 V277Q187-V189 WeakPolarHBondContact O-CG2 3.01Å; Q187-V189 PolarHBondContact O-N 3.07Å; Q187-V189 VanDerWaalsContact O-N 3.07Å; V189-T241 PolarHBondContact N-O 2.94Å; V189-T241 PolarHBondContact O-N 3.32Å; V189-V277 HydrophobicContact CG1-CB 4.05Å; V189-V277 HydrophobicContact CG1-CG1 3.2Å; V189-V277 HydrophobicContact CG1-CG2 3.87Å
190K76.7Confident75.9Confident75 Ų7557.9 Ų57.933%0.32628%0.276SS..EExtended strand (participates in β ladder)trans-79.7128.8170.5-65.5176.8-172160.30108.7T239 V278 E283K190-T239 CarbonylContact C-O 3.49Å; K190-T239 VanDerWaalsContact CA-O 3.3Å; K190-T239 WeakPolarHBondContact CA-O 3.4Å; K190-V278 HydrophobicContact CB-CB 4.2Å; K190-V278 HydrophobicContact CB-CG2 4.45Å; K190-V278 WeakPolarHBondContact O-CB 3.3Å; K190-V278 PolarHBondContact O-N 3.07Å; K190-E283 IonicContact NZ-OE1 3.91Å; K190-E283 PolarHBondContact NZ-OE1 2.82Å; K190-E283 IonicContact NZ-OE2 3.92Å; K190-E283 PolarHBondContact NZ-OE2 3.43Å
191I83.5Confident75.6Confident0 Ų059.8 Ų59.80%030%0.296CS..EExtended strand (participates in β ladder)trans-110.4134.3171.2-52.8173.9000107T238 T239 T241 L248 L251 P275 K276 V277I191-T238 CarbonylContact O-C 3.46Å; I191-T238 WeakPolarHBondContact O-CA 3.4Å; I191-T239 HydrophobicContact CB-CG2 3.83Å; I191-T239 HydrophobicContact CD1-CG2 4.49Å; I191-T239 HydrophobicContact CG1-CG2 4.45Å; I191-T239 PolarHBondContact N-O 3.49Å; I191-T239 PolarHBondContact O-N 3.31Å; I191-T241 HydrophobicContact CD1-CG2 3.48Å; I191-T241 VanDerWaalsContact CD1-CG2 3.48Å; I191-T241 HydrophobicContact CG1-CG2 4.02Å; I191-L248 HydrophobicContact CD1-CG 4.32Å; I191-L248 HydrophobicContact CG2-CD2 4.07Å; I191-L251 HydrophobicContact CB-CD1 3.66Å; I191-L251 HydrophobicContact CG2-CD1 3.27Å; I191-P275 HydrophobicContact CG2-CB 3.96Å; I191-K276 WeakPolarHBondContact CA-O 3.31Å; I191-K276 WeakPolarHBondContact CG2-O 3.48Å; I191-V277 HydrophobicContact CG1-CG2 4.22Å
192R80.6Confident75.2Confident18 Ų1868.9 Ų68.97%0.06833%0.328CS..EExtended strand (participates in β ladder)trans-121.7143.2-179.8173.7-179.6168.1-168-3.1109.9D194 V236 M237 M273 P275 K276 V278R192-D194 IonicContact CZ-OD1 2.75Å; R192-D194 IonicContact CZ-OD2 2.69Å; R192-D194 IonicContact NE-OD1 3.96Å; R192-D194 PolarHBondContact NE-OD1 3.46Å; R192-D194 IonicContact NE-OD2 3.31Å; R192-D194 VanDerWaalsContact NH2-CG 3.33Å; R192-D194 IonicContact NH2-OD1 3.14Å; R192-D194 PolarHBondContact NH2-OD1 2.88Å; R192-D194 VanDerWaalsContact NH2-OD1 3.09Å; R192-D194 IonicContact NH2-OD2 2.77Å; R192-D194 PolarHBondContact NH2-OD2 2.92Å; R192-V236 HydrophobicContact CG-CG2 3.69Å; R192-M237 CarbonylContact C-O 3.53Å; R192-M237 VanDerWaalsContact CA-O 3.28Å; R192-M237 WeakPolarHBondContact CA-O 3.28Å; R192-M273 HydrophobicContact CB-CE 4.4Å; R192-M273 HydrophobicContact CG-CE 3.94Å; R192-P275 CarbonylContact O-C 3.28Å; R192-P275 VanDerWaalsContact O-CA 3.3Å; R192-P275 WeakPolarHBondContact O-CA 3.43Å; R192-K276 PolarHBondContact N-O 2.87Å; R192-K276 PolarHBondContact O-N 3.37Å; R192-V278 HydrophobicContact CB-CG2 3.2Å; R192-V278 HydrophobicContact CG-CG2 4.38Å
193A83.8Confident75.1Confident0 Ų067.2 Ų67.20%033%0.328CS..EExtended strand (participates in β ladder)trans-136.4151.5160.700000110.3M237 M273 P275A193-M237 HydrophobicContact CB-CE 3.14Å; A193-M237 HydrophobicContact CB-CG 3.66Å; A193-M237 HydrophobicContact CB-SD 4.19Å; A193-M237 PolarHBondContact N-O 2.98Å; A193-M237 WeakPolarHBondContact O-CG 3.23Å; A193-M237 PolarHBondContact O-N 2.92Å; A193-M273 WeakPolarHBondContact CA-O 3.3Å; A193-M273 WeakPolarHBondContact CB-O 3.21Å; A193-P275 HydrophobicContact CB-CB 4.11Å
194D85.1Confident75.1Confident30 Ų3059.7 Ų59.716%0.1630%0.301CS..EExtended strand (participates in β ladder)trans-111.5118.6177.7-61.9-17.9000108.2R192 V236 Q272 M273R192-D194 IonicContact CZ-OD1 2.75Å; R192-D194 IonicContact CZ-OD2 2.69Å; R192-D194 IonicContact NE-OD1 3.96Å; R192-D194 PolarHBondContact NE-OD1 3.46Å; R192-D194 IonicContact NE-OD2 3.31Å; R192-D194 VanDerWaalsContact NH2-CG 3.33Å; R192-D194 IonicContact NH2-OD1 3.14Å; R192-D194 PolarHBondContact NH2-OD1 2.88Å; R192-D194 VanDerWaalsContact NH2-OD1 3.09Å; R192-D194 IonicContact NH2-OD2 2.77Å; R192-D194 PolarHBondContact NH2-OD2 2.92Å; D194-V236 WeakPolarHBondContact OD1-CG2 3.39Å; D194-Q272 HydrophobicContact CB-CB 4.19Å; D194-Q272 PolarHBondContact O-N 3.18Å; D194-M273 HydrophobicContact CB-CB 3.85Å; D194-M273 PolarHBondContact N-O 3.38Å; D194-M273 PolarHBondContact O-N 3.41Å; D194-M273 VanDerWaalsContact O-N 3.12Å
195I84.1Confident75.5Confident1 Ų164.8 Ų64.81%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-117.8140.1-178.565.7-179.2000109.1V197 L212 Y235 M237 M255 I258 F269I195-V197 HydrophobicContact CD1-CG2 4.17Å; I195-V197 HydrophobicContact CG1-CG2 4.16Å; I195-L212 HydrophobicContact CD1-CD2 4.37Å; I195-Y235 PolarHBondContact N-O 3.31Å; I195-Y235 PolarHBondContact O-N 2.75Å; I195-M237 HydrophobicContact CG2-CE 4.46Å; I195-M237 HydrophobicContact CG2-SD 4.41Å; I195-M255 HydrophobicContact CG2-CG 4.3Å; I195-M255 HydrophobicContact CG2-SD 4.05Å; I195-I258 HydrophobicContact CD1-CD1 4.25Å; I195-F269 HydrophobicContact CB-CE2 3.9Å; I195-F269 HydrophobicContact CB-CZ 4.04Å; I195-F269 HydrophobicContact CD1-CE2 4.2Å; I195-F269 HydrophobicContact CG1-CE2 4.49Å; I195-F269 HydrophobicContact CG2-CE2 4.16Å; I195-F269 HydrophobicContact CG2-CZ 3.83Å
196E83.9Confident76.2Confident42 Ų4266 Ų6620%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-109.7120.4174.7-167.6176.490.400107.6P233 R234 F269 N270 Q272E196-P233 CarbonylContact C-O 3.57Å; E196-P233 VanDerWaalsContact CA-O 3.32Å; E196-P233 WeakPolarHBondContact CA-O 3.49Å; E196-P233 HydrophobicContact CG-CB 4.04Å; E196-P233 HydrophobicContact CG-CG 3.71Å; E196-R234 HydrophobicContact CG-CG 4.5Å; E196-R234 IonicContact OE2-NE 3.81Å; E196-F269 WeakPolarHBondContact O-CA 3.44Å; E196-N270 WeakPolarHBondContact CA-O 3.39Å; E196-N270 HydrophobicContact CB-CB 4.21Å; E196-N270 WeakPolarHBondContact CB-O 3.37Å; E196-N270 PolarHBondContact N-O 2.98Å; E196-N270 PolarHBondContact O-N 2.96Å; E196-Q272 HydrophobicContact CB-CG 4.32Å; E196-Q272 PolarHBondContact OE2-NE2 2.88Å
197V79.4Confident77Confident5 Ų563.4 Ų63.43%0.0332%0.315CS..EExtended strand (participates in β ladder)trans-124.8114.6-176.9-167.80000108.1I195 V208 P233 Y235 I262 F269I195-V197 HydrophobicContact CD1-CG2 4.17Å; I195-V197 HydrophobicContact CG1-CG2 4.16Å; V197-V208 HydrophobicContact CG1-CG1 4.28Å; V197-V208 HydrophobicContact CG1-CG2 3.95Å; V197-P233 PolarHBondContact N-O 2.96Å; V197-P233 WeakPolarHBondContact O-CB 3.44Å; V197-Y235 HydrophobicContact CB-CD2 4.02Å; V197-Y235 HydrophobicContact CB-CE2 3.92Å; V197-Y235 HydrophobicContact CG2-CD2 3.98Å; V197-Y235 HydrophobicContact CG2-CE2 4.35Å; V197-I262 HydrophobicContact CG1-CD1 3.44Å; V197-I262 VanDerWaalsContact CG1-CD1 3.44Å; V197-I262 HydrophobicContact CG1-CG1 3.73Å; V197-I262 HydrophobicContact CG1-CG2 4.28Å; V197-F269 HydrophobicContact CG2-CD2 3.91Å; V197-F269 HydrophobicContact CG2-CE2 4.09Å
198A80.6Confident77.9Confident14 Ų1455.6 Ų55.612%0.11628%0.279CS..EExtended strand (participates in β ladder)trans-122.5128176.500000109.5Y200 P233 G267 V268A198-Y200 HydrophobicContact CB-CE2 4.13Å; A198-P233 HydrophobicContact CB-CB 4.26Å; A198-G267 CarbonylContact O-C 3.5Å; A198-G267 WeakPolarHBondContact O-CA 3.35Å; A198-V268 PolarHBondContact N-O 3.34Å; A198-V268 PolarHBondContact O-N 3.03Å
199C77.4Confident78.5Confident26 Ų2659 Ų5918%0.17628%0.284CS..  trans-128.7118172.2-171.30000108.9G204 V208C199-G204 VanDerWaalsContact SG-CA 3.57Å; C199-V208 HydrophobicContact CB-CG2 3.92Å
200Y76.9Confident78.8Confident194 Ų19461.7 Ų61.776%0.76130%0.295SS*.  trans-935.7-174.9-59.9-77.9000113.5A198 V268A198-Y200 HydrophobicContact CB-CE2 4.13Å; Y200-V268 HydrophobicContact CE2-CG2 4.3Å
201G71.8Confident79.1Confident43 Ų4358.1 Ų58.144%0.44328%0.28SS..SBendtrans-76.9158.5177.600000113.6E203 G204G201-E203 PolarHBondContact O-N 3.23Å; G201-G204 WeakPolarHBondContact O-CA 3.49Å; G201-G204 PolarHBondContact O-N 2.73Å
202Y68.4Low79Confident247 Ų24759.2 Ų59.297%0.96929%0.286SS*.THydrogen-bonded Turntrans-59.5-29.5177-168.3-100.5000112.8
203E73.6Confident79.1Confident153 Ų15367.3 Ų67.372%0.71532%0.316SS*.THydrogen-bonded Turntrans-100.523.2171.8-71.4177.785.900113G201 I205 D206 A207G201-E203 PolarHBondContact O-N 3.23Å; E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.41Å; E203-D206 PolarHBondContact O-N 3.25Å; E203-D206 VanDerWaalsContact O-N 3.13Å; E203-A207 PolarHBondContact O-N 3.39Å
204G70.9Confident78.9Confident6 Ų668 Ų686%0.06232%0.322CS..Hα-helixtrans-61.8-32.4-171.400000114.7C199 G201 A207 V208C199-G204 VanDerWaalsContact SG-CA 3.57Å; G201-G204 WeakPolarHBondContact O-CA 3.49Å; G201-G204 PolarHBondContact O-N 2.73Å; G204-A207 WeakPolarHBondContact O-CB 3.44Å; G204-V208 VanDerWaalsContact O-CG2 3.24Å; G204-V208 WeakPolarHBondContact O-CG2 3.47Å; G204-V208 PolarHBondContact O-N 2.93Å
205I75.5Confident78.6Confident127 Ų12766.7 Ų66.765%0.65132%0.315SS*.Hα-helixtrans-69.9-36.8178.1-62.5161.1000111E203 K209E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.41Å; I205-K209 HydrophobicContact CG2-CD 4.21Å; I205-K209 WeakPolarHBondContact O-CB 3.27Å; I205-K209 VanDerWaalsContact O-CG 3.31Å; I205-K209 WeakPolarHBondContact O-CG 3.37Å; I205-K209 PolarHBondContact O-N 3.04Å
206D79.3Confident78.3Confident94 Ų9470.1 Ų70.150%0.50333%0.333SS..Hα-helixtrans-73-39.9179-153.2-97.3000110.8E203 V208 K209 E210E203-D206 PolarHBondContact O-N 3.25Å; E203-D206 VanDerWaalsContact O-N 3.13Å; D206-V208 PolarHBondContact O-N 2.79Å; D206-K209 PolarHBondContact O-N 3.27Å; D206-E210 WeakPolarHBondContact O-CB 3.35Å; D206-E210 PolarHBondContact O-N 3.23Å
207A78.8Confident78Confident3 Ų374.9 Ų74.93%0.02536%0.36CS..Hα-helixtrans-53.3-50.3170.100000112.7E203 G204 E210 A211 K265E203-A207 PolarHBondContact O-N 3.39Å; G204-A207 WeakPolarHBondContact O-CB 3.44Å; A207-E210 PolarHBondContact O-N 3.5Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 3.42Å; A207-K265 HydrophobicContact CB-CB 4.07Å; A207-K265 HydrophobicContact CB-CD 3.27Å; A207-K265 HydrophobicContact CB-CG 4.26Å
208V80.6Confident77.5Confident11 Ų1176.9 Ų76.97%0.06737%0.374CS..Hα-helixtrans-66.7-44-180174.40000110.7V197 C199 G204 D206 E210 A211 L212 Y235 I262V197-V208 HydrophobicContact CG1-CG1 4.28Å; V197-V208 HydrophobicContact CG1-CG2 3.95Å; C199-V208 HydrophobicContact CB-CG2 3.92Å; G204-V208 VanDerWaalsContact O-CG2 3.24Å; G204-V208 WeakPolarHBondContact O-CG2 3.47Å; G204-V208 PolarHBondContact O-N 2.93Å; D206-V208 PolarHBondContact O-N 2.79Å; V208-E210 VanDerWaalsContact C-N 3.34Å; V208-E210 PolarHBondContact O-N 2.83Å; V208-A211 PolarHBondContact O-N 3.34Å; V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.23Å; V208-L212 WeakPolarHBondContact O-CB 3.35Å; V208-L212 WeakPolarHBondContact O-CG 3.43Å; V208-L212 PolarHBondContact O-N 2.86Å; V208-Y235 HydrophobicContact CG1-CE2 4.38Å; V208-I262 HydrophobicContact CG2-CD1 4.09Å
209K82.3Confident76.8Confident123 Ų12377.8 Ų77.854%0.53538%0.379SS..Hα-helixtrans-61.8-40.1177.3-76.2175.4-177.7175.50112.5I205 D206 R213I205-K209 HydrophobicContact CG2-CD 4.21Å; I205-K209 WeakPolarHBondContact O-CB 3.27Å; I205-K209 VanDerWaalsContact O-CG 3.31Å; I205-K209 WeakPolarHBondContact O-CG 3.37Å; I205-K209 PolarHBondContact O-N 3.04Å; D206-K209 PolarHBondContact O-N 3.27Å; K209-R213 WeakPolarHBondContact O-CB 3.33Å; K209-R213 WeakPolarHBondContact O-CG 3.41Å; K209-R213 PolarHBondContact O-N 3.01Å
210E82.6Confident76.5Confident83 Ų8380.8 Ų80.839%0.38840%0.397SS..Hα-helixtrans-70.4-38.3178.8-171.9177.870.600112.4D206 A207 V208 R213 A214 K265D206-E210 WeakPolarHBondContact O-CB 3.35Å; D206-E210 PolarHBondContact O-N 3.23Å; A207-E210 PolarHBondContact O-N 3.5Å; V208-E210 VanDerWaalsContact C-N 3.34Å; V208-E210 PolarHBondContact O-N 2.83Å; E210-R213 PolarHBondContact O-N 3.34Å; E210-A214 WeakPolarHBondContact O-CB 3.21Å; E210-A214 PolarHBondContact O-N 3.46Å; E210-K265 IonicContact OE1-NZ 3.93Å; E210-K265 PolarHBondContact OE1-NZ 3.25Å
211A81.4Confident75.6Confident1 Ų181.3 Ų81.31%0.00841%0.406CS..Hα-helixtrans-63.9-46.9173.400000111.2A207 V208 R213 A214 G215 I258 K261 I262A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 3.42Å; V208-A211 PolarHBondContact O-N 3.34Å; A211-R213 PolarHBondContact O-N 3.41Å; A211-A214 WeakPolarHBondContact O-CB 3.41Å; A211-A214 PolarHBondContact O-N 2.72Å; A211-G215 PolarHBondContact O-N 3.45Å; A211-I258 HydrophobicContact CB-CG2 4.28Å; A211-I258 WeakPolarHBondContact O-CG1 3.36Å; A211-K261 HydrophobicContact CB-CB 3.98Å; A211-I262 HydrophobicContact CB-CD1 3.66Å; A211-I262 HydrophobicContact CB-CG1 3.77Å
212L81.8Confident75Confident23 Ų2386 Ų8612%0.1242%0.421CS..Hα-helixtrans-64.6-39177-66.6179.7000112.2I195 V208 A214 G215 L216 I227 Y235I195-L212 HydrophobicContact CD1-CD2 4.37Å; V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.23Å; V208-L212 WeakPolarHBondContact O-CB 3.35Å; V208-L212 WeakPolarHBondContact O-CG 3.43Å; V208-L212 PolarHBondContact O-N 2.86Å; L212-A214 VanDerWaalsContact C-N 3.34Å; L212-G215 PolarHBondContact O-N 2.86Å; L212-L216 WeakPolarHBondContact O-CD1 3.5Å; L212-L216 WeakPolarHBondContact O-CG 3.15Å; L212-L216 PolarHBondContact O-N 2.52Å; L212-I227 HydrophobicContact CB-CD1 4.45Å; L212-I227 HydrophobicContact CD2-CD1 3.96Å; L212-I227 HydrophobicContact CD2-CG2 4.06Å; L212-Y235 HydrophobicContact CD1-CD1 3.91Å; L212-Y235 HydrophobicContact CD1-CE1 3.67Å
213R83.9Confident75Confident187 Ų18775.4 Ų75.471%0.70638%0.381SS*.Hα-helixtrans-63.1-37.9172.6-83.4-179.4176.8174.10112.6K209 E210 A211 L216 N217K209-R213 WeakPolarHBondContact O-CB 3.33Å; K209-R213 WeakPolarHBondContact O-CG 3.41Å; K209-R213 PolarHBondContact O-N 3.01Å; E210-R213 PolarHBondContact O-N 3.34Å; A211-R213 PolarHBondContact O-N 3.41Å; R213-L216 WeakPolarHBondContact O-CB 3.23Å; R213-L216 PolarHBondContact O-N 3.46Å; R213-N217 PolarHBondContact O-N 3.38Å
214A79.6Confident75.1Confident16 Ų1671.4 Ų71.413%0.13237%0.368CS..Hα-helixtrans-65.9-41.6175.200000111.6E210 A211 L212 L216 N217 C218 V257 K261E210-A214 WeakPolarHBondContact O-CB 3.21Å; E210-A214 PolarHBondContact O-N 3.46Å; A211-A214 WeakPolarHBondContact O-CB 3.41Å; A211-A214 PolarHBondContact O-N 2.72Å; L212-A214 VanDerWaalsContact C-N 3.34Å; A214-L216 VanDerWaalsContact C-N 3.32Å; A214-L216 PolarHBondContact O-N 3.47Å; A214-N217 PolarHBondContact O-N 2.92Å; A214-N217 VanDerWaalsContact O-N 3.16Å; A214-C218 PolarHBondContact O-N 3.32Å; A214-V257 HydrophobicContact CB-CG1 3.92Å; A214-K261 HydrophobicContact CB-CD 3.71Å
215G77.6Confident75.6Confident1 Ų171.5 Ų71.51%0.0137%0.367CS..Hα-helixtrans-60.9-39.2172.100000113A211 L212 N217 C218A211-G215 PolarHBondContact O-N 3.45Å; L212-G215 PolarHBondContact O-N 2.86Å; G215-N217 VanDerWaalsContact C-N 3.35Å; G215-C218 PolarHBondContact O-N 3.3Å
216L78.7Confident75.8Confident73 Ų7372 Ų7238%0.38237%0.365SS..Hα-helixtrans-65-34.9173.1-80.6152.6000112.6L212 R213 A214 C218 S219 I225 I227L212-L216 WeakPolarHBondContact O-CD1 3.5Å; L212-L216 WeakPolarHBondContact O-CG 3.15Å; L212-L216 PolarHBondContact O-N 2.52Å; R213-L216 WeakPolarHBondContact O-CB 3.23Å; R213-L216 PolarHBondContact O-N 3.46Å; A214-L216 VanDerWaalsContact C-N 3.32Å; A214-L216 PolarHBondContact O-N 3.47Å; L216-C218 VanDerWaalsContact C-N 3.3Å; L216-C218 PolarHBondContact O-N 3.25Å; L216-S219 WeakPolarHBondContact O-CB 3.49Å; L216-S219 PolarHBondContact O-N 3.47Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.3Å; L216-I225 WeakPolarHBondContact CD2-O 3.38Å; L216-I227 HydrophobicContact CG-CD1 4.23Å
217N76.3Confident76Confident143 Ų14369 Ų6977%0.76535%0.348SS*.Hα-helixtrans-76.3-16.9-178.9-156.137.1000113.5R213 A214 G215 S219R213-N217 PolarHBondContact O-N 3.38Å; A214-N217 PolarHBondContact O-N 2.92Å; A214-N217 VanDerWaalsContact O-N 3.16Å; G215-N217 VanDerWaalsContact C-N 3.35Å; N217-S219 PolarHBondContact O-N 2.84Å
218C69.3Low76.2Confident46 Ų4673.6 Ų73.631%0.31137%0.372SS..THydrogen-bonded Turntrans-74.2-3.4168-70.30000113A214 G215 L216 A254A214-C218 PolarHBondContact O-N 3.32Å; G215-C218 PolarHBondContact O-N 3.3Å; L216-C218 VanDerWaalsContact C-N 3.3Å; L216-C218 PolarHBondContact O-N 3.25Å; C218-A254 HydrophobicContact CB-CB 4.49Å
219S66.3Low76.2Confident34 Ų3477.4 Ų77.424%0.23839%0.392CS..  trans-71.5138.6175-46.40000111.1L216 N217 I225L216-S219 WeakPolarHBondContact O-CB 3.49Å; L216-S219 PolarHBondContact O-N 3.47Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.3Å; N217-S219 PolarHBondContact O-N 2.84Å; S219-I225 VanDerWaalsContact OG-CB 3.3Å; S219-I225 WeakPolarHBondContact OG-CB 3.09Å; S219-I225 WeakPolarHBondContact OG-CD1 3.42Å; S219-I225 VanDerWaalsContact OG-CG1 3.3Å; S219-I225 WeakPolarHBondContact OG-CG1 3.4Å
220T71.4Confident76.1Confident88 Ų8872.9 Ų72.954%0.5437%0.373SS..BIsolated β-bridgetrans-95.4155.2171.5-52.40000109.9N222 M223T220-N222 PolarHBondContact O-N 3.48Å; T220-N222 VanDerWaalsContact O-N 3.09Å; T220-M223 CarbonylContact O-C 3.56Å; T220-M223 VanDerWaalsContact O-C 3.28Å; T220-M223 WeakPolarHBondContact O-CA 3.42Å; T220-M223 PolarHBondContact O-N 2.85Å
221E57.8Low75.7Confident206 Ų20669.7 Ų69.796%0.96336%0.361SS*.THydrogen-bonded Turntrans-53.1-31-179.7-98.4177.481.900114.3
222N60.1Low75.3Confident140 Ų14074.5 Ų74.575%0.74939%0.392SS*.THydrogen-bonded Turntrans-83.2-8.8175.5-97.1-14.7000114.4T220T220-N222 PolarHBondContact O-N 3.48Å; T220-N222 VanDerWaalsContact O-N 3.09Å
223M67.1Low75.1Confident25 Ų2575.9 Ų75.912%0.12340%0.403CS..BIsolated β-bridgetrans-136.778.2-173.9-62.8-175.8-163.600110.8T220 I225 T241 E246 V250T220-M223 CarbonylContact O-C 3.56Å; T220-M223 VanDerWaalsContact O-C 3.28Å; T220-M223 WeakPolarHBondContact O-CA 3.42Å; T220-M223 PolarHBondContact O-N 2.85Å; M223-I225 PolarHBondContact O-N 3.39Å; M223-T241 WeakPolarHBondContact CE-OG1 3.22Å; M223-E246 HydrophobicContact CE-CB 4.16Å; M223-V250 HydrophobicContact SD-CG2 4.41Å
224P76.1Confident75.2Confident69 Ų6972.6 Ų72.645%0.44839%0.39SS..  trans-69.4115.3178.328-33.1000110.3
225I81.4Confident75.4Confident9 Ų973.6 Ų73.65%0.04639%0.391CS..EExtended strand (participates in β ladder)trans-85127.9169-52.3174.5000108L216 S219 M223 I227 V250 A254L216-I225 WeakPolarHBondContact CD2-O 3.38Å; S219-I225 VanDerWaalsContact OG-CB 3.3Å; S219-I225 WeakPolarHBondContact OG-CB 3.09Å; S219-I225 WeakPolarHBondContact OG-CD1 3.42Å; S219-I225 VanDerWaalsContact OG-CG1 3.3Å; S219-I225 WeakPolarHBondContact OG-CG1 3.4Å; M223-I225 PolarHBondContact O-N 3.39Å; I225-I227 HydrophobicContact CG2-CG1 4.23Å; I225-V250 HydrophobicContact CD1-CG1 4.08Å; I225-A254 HydrophobicContact CD1-CB 4.39Å
226K80.5Confident75.7Confident138 Ų13873.8 Ų73.860%0.639%0.392SS*.EExtended strand (participates in β ladder)trans-113.1130.4171.7-66.5-177.4-179.8-178.70108.4M237 T238K226-M237 CarbonylContact O-C 3.58Å; K226-M237 WeakPolarHBondContact O-CA 3.45Å; K226-T238 PolarHBondContact N-O 3.26Å; K226-T238 PolarHBondContact O-N 2.98Å
227I82.5Confident75.8Confident30 Ų3070.4 Ų70.415%0.15437%0.374CS..EExtended strand (participates in β ladder)trans-115.1116.5175.1-50.6177.9000107.6L212 L216 I225 Y235 V236 M237L212-I227 HydrophobicContact CB-CD1 4.45Å; L212-I227 HydrophobicContact CD2-CD1 3.96Å; L212-I227 HydrophobicContact CD2-CG2 4.06Å; L216-I227 HydrophobicContact CG-CD1 4.23Å; I225-I227 HydrophobicContact CG2-CG1 4.23Å; I227-Y235 HydrophobicContact CG2-CD1 4.46Å; I227-V236 CarbonylContact C-O 3.44Å; I227-V236 WeakPolarHBondContact CA-O 3.17Å; I227-M237 HydrophobicContact CG1-CB 4.13Å
228N82.9Confident76.1Confident100 Ų10065.3 Ų65.354%0.53535%0.348SS..EExtended strand (participates in β ladder)trans-109.6145175.3-69.4-20.5000109.5Y235 V236N228-Y235 WeakPolarHBondContact O-CA 3.38Å; N228-V236 HydrophobicContact CB-CG1 3.8Å; N228-V236 PolarHBondContact N-O 3.46Å; N228-V236 WeakPolarHBondContact O-CG1 3.48Å; N228-V236 PolarHBondContact O-N 3.16Å
229L81.8Confident76.7Confident90 Ų9063.2 Ų63.247%0.47133%0.334SS..EExtended strand (participates in β ladder)trans-87.8127.8169.5175.5141000108.1Y235L229-Y235 HydrophobicContact CB-CD1 3.96Å; L229-Y235 HydrophobicContact CB-CE1 3.95Å; L229-Y235 HydrophobicContact CD1-CD1 4.26Å; L229-Y235 HydrophobicContact CD1-CE1 3.54Å; L229-Y235 HydrophobicContact CG-CD1 4.43Å; L229-Y235 HydrophobicContact CG-CE1 4.17Å
230I78.9Confident77.4Confident29 Ų2964 Ų6415%0.14934%0.337CS..EExtended strand (participates in β ladder)trans-90.4-55.8172.8-58.5179.1000108.4R234 V236 L286 L290 L293I230-R234 PolarHBondContact N-O 3.21Å; I230-V236 HydrophobicContact CD1-CB 3.87Å; I230-V236 HydrophobicContact CD1-CG1 3.91Å; I230-V236 HydrophobicContact CG1-CB 4.18Å; I230-V236 HydrophobicContact CG1-CG1 3.77Å; I230-L286 HydrophobicContact CD1-CD1 4.11Å; I230-L290 HydrophobicContact CG1-CD2 4.23Å; I230-L290 HydrophobicContact CG2-CD2 4.09Å; I230-L293 HydrophobicContact CG2-CD1 3.52Å
231A73.5Confident77.6Confident16 Ų1659.8 Ų59.813%0.13231%0.311CS..EExtended strand (participates in β ladder)trans-155141.5177.900000108P233 R234A231-P233 CarbonylContact O-C 3.58Å; A231-R234 PolarHBondContact N-O 3.29Å; A231-R234 CarbonylContact O-C 3.57Å; A231-R234 VanDerWaalsContact O-CA 3.25Å; A231-R234 WeakPolarHBondContact O-CA 3.08Å; A231-R234 WeakPolarHBondContact O-CB 3.34Å; A231-R234 PolarHBondContact O-N 3Å
232P73.5Confident78.3Confident102 Ų10255 Ų5566%0.66229%0.292SS*.THydrogen-bonded Turntrans-59.1133.2171.6-16.729.7000110
233P78.3Confident78.9Confident52 Ų5252.7 Ų52.734%0.33828%0.277SS..THydrogen-bonded Turncis-94.718.2-1.534.5-31.1000115.8E196 V197 A198 A231 Y235E196-P233 CarbonylContact C-O 3.57Å; E196-P233 VanDerWaalsContact CA-O 3.32Å; E196-P233 WeakPolarHBondContact CA-O 3.49Å; E196-P233 HydrophobicContact CG-CB 4.04Å; E196-P233 HydrophobicContact CG-CG 3.71Å; V197-P233 PolarHBondContact N-O 2.96Å; V197-P233 WeakPolarHBondContact O-CB 3.44Å; A198-P233 HydrophobicContact CB-CB 4.26Å; A231-P233 CarbonylContact O-C 3.58Å; P233-Y235 WeakPolarHBondContact O-CD2 2.98Å
234R85Confident79.1Confident118 Ų11859.3 Ų59.345%0.44530%0.3SS..EExtended strand (participates in β ladder)trans-90.2125.3-177.5-60.6-178.3175.9-179.9-0.1114.3E196 I230 A231E196-R234 HydrophobicContact CG-CG 4.5Å; E196-R234 IonicContact OE2-NE 3.81Å; I230-R234 PolarHBondContact N-O 3.21Å; A231-R234 PolarHBondContact N-O 3.29Å; A231-R234 CarbonylContact O-C 3.57Å; A231-R234 VanDerWaalsContact O-CA 3.25Å; A231-R234 WeakPolarHBondContact O-CA 3.08Å; A231-R234 WeakPolarHBondContact O-CB 3.34Å; A231-R234 PolarHBondContact O-N 3Å
235Y83.8Confident79.2Confident37 Ų3760.5 Ų60.515%0.14531%0.306CS..EExtended strand (participates in β ladder)trans-119.5146.4175.2-60.7-97.2000110.1I195 V197 V208 L212 I227 N228 L229 P233I195-Y235 PolarHBondContact N-O 3.31Å; I195-Y235 PolarHBondContact O-N 2.75Å; V197-Y235 HydrophobicContact CB-CD2 4.02Å; V197-Y235 HydrophobicContact CB-CE2 3.92Å; V197-Y235 HydrophobicContact CG2-CD2 3.98Å; V197-Y235 HydrophobicContact CG2-CE2 4.35Å; V208-Y235 HydrophobicContact CG1-CE2 4.38Å; L212-Y235 HydrophobicContact CD1-CD1 3.91Å; L212-Y235 HydrophobicContact CD1-CE1 3.67Å; I227-Y235 HydrophobicContact CG2-CD1 4.46Å; N228-Y235 WeakPolarHBondContact O-CA 3.38Å; L229-Y235 HydrophobicContact CB-CD1 3.96Å; L229-Y235 HydrophobicContact CB-CE1 3.95Å; L229-Y235 HydrophobicContact CD1-CD1 4.26Å; L229-Y235 HydrophobicContact CD1-CE1 3.54Å; L229-Y235 HydrophobicContact CG-CD1 4.43Å; L229-Y235 HydrophobicContact CG-CE1 4.17Å; P233-Y235 WeakPolarHBondContact O-CD2 2.98Å
236V84.4Confident79Confident5 Ų565.1 Ų65.13%0.0333%0.328CS..EExtended strand (participates in β ladder)trans-113127.4172.361.50000109.2R192 D194 I227 N228 I230R192-V236 HydrophobicContact CG-CG2 3.69Å; D194-V236 WeakPolarHBondContact OD1-CG2 3.39Å; I227-V236 CarbonylContact C-O 3.44Å; I227-V236 WeakPolarHBondContact CA-O 3.17Å; N228-V236 HydrophobicContact CB-CG1 3.8Å; N228-V236 PolarHBondContact N-O 3.46Å; N228-V236 WeakPolarHBondContact O-CG1 3.48Å; N228-V236 PolarHBondContact O-N 3.16Å; I230-V236 HydrophobicContact CD1-CB 3.87Å; I230-V236 HydrophobicContact CD1-CG1 3.91Å; I230-V236 HydrophobicContact CG1-CB 4.18Å; I230-V236 HydrophobicContact CG1-CG1 3.77Å
237M81.6Confident78.7Confident1 Ų158.5 Ų58.51%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-105.1125.3170.461177.8-163.800109.6R192 A193 I195 K226 I227 L251 M255R192-M237 CarbonylContact C-O 3.53Å; R192-M237 VanDerWaalsContact CA-O 3.28Å; R192-M237 WeakPolarHBondContact CA-O 3.28Å; A193-M237 HydrophobicContact CB-CE 3.14Å; A193-M237 HydrophobicContact CB-CG 3.66Å; A193-M237 HydrophobicContact CB-SD 4.19Å; A193-M237 PolarHBondContact N-O 2.98Å; A193-M237 WeakPolarHBondContact O-CG 3.23Å; A193-M237 PolarHBondContact O-N 2.92Å; I195-M237 HydrophobicContact CG2-CE 4.46Å; I195-M237 HydrophobicContact CG2-SD 4.41Å; K226-M237 CarbonylContact O-C 3.58Å; K226-M237 WeakPolarHBondContact O-CA 3.45Å; I227-M237 HydrophobicContact CG1-CB 4.13Å; M237-L251 HydrophobicContact CB-CD2 4.38Å; M237-L251 HydrophobicContact CE-CB 3.95Å; M237-L251 HydrophobicContact CE-CD2 3.4Å; M237-L251 HydrophobicContact CE-CG 4.22Å; M237-L251 HydrophobicContact CG-CD2 3.82Å; M237-L251 HydrophobicContact SD-CD2 3.48Å; M237-L251 WeakPolarHBondContact SD-CD2 3.3Å; M237-M255 HydrophobicContact CE-CE 4.12Å; M237-M255 HydrophobicContact CE-CG 3.29Å; M237-M255 HydrophobicContact CE-SD 3.45Å; M237-M255 WeakPolarHBondContact CE-SD 3.41Å; M237-M255 HydrophobicContact SD-CG 4.03Å
238T82.6Confident78.6Confident37 Ų3759.8 Ų59.823%0.22731%0.306CS..EExtended strand (participates in β ladder)trans-121.4127178.3-53.70000108.5I191 K226I191-T238 CarbonylContact O-C 3.46Å; I191-T238 WeakPolarHBondContact O-CA 3.4Å; K226-T238 PolarHBondContact N-O 3.26Å; K226-T238 PolarHBondContact O-N 2.98Å
239T81.2Confident78.6Confident2 Ų258.5 Ų58.51%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-122.1150.3169.8-169.70000109.9K190 I191 L251K190-T239 CarbonylContact C-O 3.49Å; K190-T239 VanDerWaalsContact CA-O 3.3Å; K190-T239 WeakPolarHBondContact CA-O 3.4Å; I191-T239 HydrophobicContact CB-CG2 3.83Å; I191-T239 HydrophobicContact CD1-CG2 4.49Å; I191-T239 HydrophobicContact CG1-CG2 4.45Å; I191-T239 PolarHBondContact N-O 3.49Å; I191-T239 PolarHBondContact O-N 3.31Å; T239-L251 HydrophobicContact CG2-CD1 3.35Å; T239-L251 HydrophobicContact CG2-CD2 4.26Å; T239-L251 HydrophobicContact CG2-CG 3.82Å
240T81.4Confident78.6Confident49 Ų4955.4 Ų55.430%0.30129%0.29SS..EExtended strand (participates in β ladder)trans-111.7121174-59.10000107.8A188A188-T240 HydrophobicContact CB-CG2 3.45Å; A188-T240 VanDerWaalsContact CB-CG2 3.45Å
241T75.9Confident78.8Confident1 Ų154 Ų541%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-135.7150.5-178.9-178.10000111.6A188 V189 I191 M223 E243A188-T241 CarbonylContact C-O 3.45Å; A188-T241 WeakPolarHBondContact CA-O 3.16Å; V189-T241 PolarHBondContact N-O 2.94Å; V189-T241 PolarHBondContact O-N 3.32Å; I191-T241 HydrophobicContact CD1-CG2 3.48Å; I191-T241 VanDerWaalsContact CD1-CG2 3.48Å; I191-T241 HydrophobicContact CG1-CG2 4.02Å; M223-T241 WeakPolarHBondContact CE-OG1 3.22Å; T241-E243 WeakPolarHBondContact CG2-O 3.26Å; T241-E243 PolarHBondContact OG1-N 3.45Å; T241-E243 VanDerWaalsContact OG1-N 3.15Å; T241-E243 PolarHBondContact OG1-O 3.34Å; T241-E243 VanDerWaalsContact OG1-O 3.07Å
242L71.6Confident79.3Confident104 Ų10457 Ų5755%0.54530%0.296SS..SBendtrans-77.7-26.7171.7-63.8169.6000111.6P186 A188P186-L242 WeakPolarHBondContact O-CD2 3.23Å; A188-L242 HydrophobicContact CB-CD2 4.13Å
243E72.5Confident79.9Confident93 Ų9357.9 Ų57.944%0.43529%0.291SS..  trans-120.2124.4-175.5-164.7169.6114.300112.4T241 T245 E246 G247T241-E243 WeakPolarHBondContact CG2-O 3.26Å; T241-E243 PolarHBondContact OG1-N 3.45Å; T241-E243 VanDerWaalsContact OG1-N 3.15Å; T241-E243 PolarHBondContact OG1-O 3.34Å; T241-E243 VanDerWaalsContact OG1-O 3.07Å; E243-T245 WeakPolarHBondContact CG-OG1 3.09Å; E243-T245 PolarHBondContact O-N 3.18Å; E243-T245 PolarHBondContact OE1-OG1 3.23Å; E243-E246 HydrophobicContact CB-CB 4.47Å; E243-G247 PolarHBondContact O-N 2.63Å; E243-G247 VanDerWaalsContact O-N 3.16Å
244R72.4Confident80.1Confident163 Ų16355.5 Ų55.562%0.61528%0.276SS*.Hα-helixtrans-63.7-42.1-174.7-62.8176.9-177.5160.8-0.3112.1L248 V277R244-L248 WeakPolarHBondContact O-CB 3.27Å; R244-L248 WeakPolarHBondContact O-CD1 3.38Å; R244-L248 WeakPolarHBondContact O-CG 3.14Å; R244-L248 PolarHBondContact O-N 2.85Å; R244-V277 HydrophobicContact CG-CG2 4.33Å
245T78.3Confident80Confident95 Ų9550.6 Ų50.658%0.58326%0.258SS*.Hα-helixtrans-71.5-48.7-174.629.70000112.1E243 L248 S249E243-T245 WeakPolarHBondContact CG-OG1 3.09Å; E243-T245 PolarHBondContact O-N 3.18Å; E243-T245 PolarHBondContact OE1-OG1 3.23Å; T245-L248 PolarHBondContact O-N 2.87Å; T245-S249 PolarHBondContact O-N 3.45Å; T245-S249 VanDerWaalsContact O-N 3.14Å
246E76.4Confident80.1Confident105 Ų10551.7 Ų51.749%0.49128%0.275SS..Hα-helixtrans-64-43.1177.3-71.4-172.597.500111.8M223 E243 L248 S249 V250M223-E246 HydrophobicContact CE-CB 4.16Å; E243-E246 HydrophobicContact CB-CB 4.47Å; E246-L248 VanDerWaalsContact C-N 3.35Å; E246-L248 PolarHBondContact O-N 2.95Å; E246-S249 WeakPolarHBondContact O-CB 3.34Å; E246-S249 PolarHBondContact O-N 3.06Å; E246-S249 VanDerWaalsContact O-N 3.13Å; E246-V250 WeakPolarHBondContact O-CG2 3.36Å; E246-V250 PolarHBondContact O-N 3.03Å
247G75.1Confident80.1Confident0 Ų053.4 Ų53.40%029%0.286CS..Hα-helixtrans-64.7-36.1179.500000113.9E243 S249 L251E243-G247 PolarHBondContact O-N 2.63Å; E243-G247 VanDerWaalsContact O-N 3.16Å; G247-S249 VanDerWaalsContact C-N 3.35Å; G247-L251 WeakPolarHBondContact O-CB 3.33Å; G247-L251 PolarHBondContact O-N 2.8Å
248L80.3Confident80.2Confident56 Ų5653.4 Ų53.429%0.29329%0.286SS..Hα-helixtrans-63.6-41.7172.5-73.6170.4000111.4I191 R244 T245 E246 N252 P275I191-L248 HydrophobicContact CD1-CG 4.32Å; I191-L248 HydrophobicContact CG2-CD2 4.07Å; R244-L248 WeakPolarHBondContact O-CB 3.27Å; R244-L248 WeakPolarHBondContact O-CD1 3.38Å; R244-L248 WeakPolarHBondContact O-CG 3.14Å; R244-L248 PolarHBondContact O-N 2.85Å; T245-L248 PolarHBondContact O-N 2.87Å; E246-L248 VanDerWaalsContact C-N 3.35Å; E246-L248 PolarHBondContact O-N 2.95Å; L248-N252 WeakPolarHBondContact O-CB 3.08Å; L248-N252 PolarHBondContact O-N 2.97Å; L248-N252 PolarHBondContact O-ND2 3.45Å; L248-P275 HydrophobicContact CD2-CB 3.82Å; L248-P275 HydrophobicContact CD2-CG 4.02Å; L248-P275 WeakPolarHBondContact CD2-O 3.17Å
249S82.3Confident80.3Confident73 Ų7356.2 Ų56.251%0.5130%0.295SS..Hα-helixtrans-65.8-44.5178.6-167.90000111.9T245 E246 G247 N252 Q253T245-S249 PolarHBondContact O-N 3.45Å; T245-S249 VanDerWaalsContact O-N 3.14Å; E246-S249 WeakPolarHBondContact O-CB 3.34Å; E246-S249 PolarHBondContact O-N 3.06Å; E246-S249 VanDerWaalsContact O-N 3.13Å; G247-S249 VanDerWaalsContact C-N 3.35Å; S249-N252 PolarHBondContact O-N 3.22Å; S249-Q253 WeakPolarHBondContact O-CB 3.42Å; S249-Q253 PolarHBondContact O-N 2.83Å
250V82.5Confident80.5Confident26 Ų2663 Ų6316%0.15833%0.326CS..Hα-helixtrans-63.4-42.9178.5172.90000111.2M223 I225 E246 Q253 A254M223-V250 HydrophobicContact SD-CG2 4.41Å; I225-V250 HydrophobicContact CD1-CG1 4.08Å; E246-V250 WeakPolarHBondContact O-CG2 3.36Å; E246-V250 PolarHBondContact O-N 3.03Å; V250-Q253 PolarHBondContact O-N 2.87Å; V250-A254 WeakPolarHBondContact O-CB 3.34Å; V250-A254 PolarHBondContact O-N 3.29Å
251L82.4Confident80.5Confident0 Ų063.9 Ų63.90%033%0.326CS..Hα-helixtrans-64.2-41.4174.9-83161.3000112.3I191 M237 T239 G247 Q253 A254 M255 P275I191-L251 HydrophobicContact CB-CD1 3.66Å; I191-L251 HydrophobicContact CG2-CD1 3.27Å; M237-L251 HydrophobicContact CB-CD2 4.38Å; M237-L251 HydrophobicContact CE-CB 3.95Å; M237-L251 HydrophobicContact CE-CD2 3.4Å; M237-L251 HydrophobicContact CE-CG 4.22Å; M237-L251 HydrophobicContact CG-CD2 3.82Å; M237-L251 HydrophobicContact SD-CD2 3.48Å; M237-L251 WeakPolarHBondContact SD-CD2 3.3Å; T239-L251 HydrophobicContact CG2-CD1 3.35Å; T239-L251 HydrophobicContact CG2-CD2 4.26Å; T239-L251 HydrophobicContact CG2-CG 3.82Å; G247-L251 WeakPolarHBondContact O-CB 3.33Å; G247-L251 PolarHBondContact O-N 2.8Å; L251-Q253 VanDerWaalsContact C-N 3.33Å; L251-Q253 PolarHBondContact O-N 3.4Å; L251-A254 PolarHBondContact O-N 3.28Å; L251-M255 WeakPolarHBondContact O-CG 3.38Å; L251-M255 PolarHBondContact O-N 3.37Å; L251-P275 HydrophobicContact CB-CB 4.05Å; L251-P275 HydrophobicContact CB-CG 4.47Å; L251-P275 HydrophobicContact CD1-CB 3.92Å
252N84.9Confident80.8Confident79 Ų7963.8 Ų63.842%0.42233%0.325SS..Hα-helixtrans-62.9-41175.3-84.2-31.7000112L248 S249 M255 A256L248-N252 WeakPolarHBondContact O-CB 3.08Å; L248-N252 PolarHBondContact O-N 2.97Å; L248-N252 PolarHBondContact O-ND2 3.45Å; S249-N252 PolarHBondContact O-N 3.22Å; N252-M255 HydrophobicContact CB-CE 4.47Å; N252-M255 PolarHBondContact O-N 3.49Å; N252-M255 WeakPolarHBondContact OD1-CE 3.27Å; N252-A256 PolarHBondContact O-N 3.38Å
253Q84.2Confident81.3Confident119 Ų11964.2 Ų64.256%0.55633%0.325SS*.Hα-helixtrans-65.4-42.4175.7-169.11727.500111.4S249 V250 L251 M255 A256 V257S249-Q253 WeakPolarHBondContact O-CB 3.42Å; S249-Q253 PolarHBondContact O-N 2.83Å; V250-Q253 PolarHBondContact O-N 2.87Å; L251-Q253 VanDerWaalsContact C-N 3.33Å; L251-Q253 PolarHBondContact O-N 3.4Å; Q253-M255 PolarHBondContact O-N 2.7Å; Q253-A256 PolarHBondContact O-N 3.13Å; Q253-V257 WeakPolarHBondContact O-CG2 3.41Å; Q253-V257 PolarHBondContact O-N 2.92Å
254A83.4Confident81.8Confident2 Ų267.3 Ų67.32%0.01734%0.339CS..Hα-helixtrans-61.5-41.9174.400000111.8C218 I225 V250 L251 A256 V257 I258C218-A254 HydrophobicContact CB-CB 4.49Å; I225-A254 HydrophobicContact CD1-CB 4.39Å; V250-A254 WeakPolarHBondContact O-CB 3.34Å; V250-A254 PolarHBondContact O-N 3.29Å; L251-A254 PolarHBondContact O-N 3.28Å; A254-A256 PolarHBondContact O-N 2.85Å; A254-V257 PolarHBondContact O-N 3.12Å; A254-I258 WeakPolarHBondContact O-CD1 3.21Å; A254-I258 WeakPolarHBondContact O-CG1 3.45Å; A254-I258 PolarHBondContact O-N 3.35Å
255M82.8Confident81.9Confident15 Ų1563 Ų637%0.07433%0.325CS..Hα-helixtrans-62.6-41174.2-73.7-169.5-63.900112.5I195 M237 L251 N252 Q253 V257 I258 K259 F269 V271 P275I195-M255 HydrophobicContact CG2-CG 4.3Å; I195-M255 HydrophobicContact CG2-SD 4.05Å; M237-M255 HydrophobicContact CE-CE 4.12Å; M237-M255 HydrophobicContact CE-CG 3.29Å; M237-M255 HydrophobicContact CE-SD 3.45Å; M237-M255 WeakPolarHBondContact CE-SD 3.41Å; M237-M255 HydrophobicContact SD-CG 4.03Å; L251-M255 WeakPolarHBondContact O-CG 3.38Å; L251-M255 PolarHBondContact O-N 3.37Å; N252-M255 HydrophobicContact CB-CE 4.47Å; N252-M255 PolarHBondContact O-N 3.49Å; N252-M255 WeakPolarHBondContact OD1-CE 3.27Å; Q253-M255 PolarHBondContact O-N 2.7Å; M255-V257 VanDerWaalsContact C-N 3.35Å; M255-I258 PolarHBondContact O-N 3.33Å; M255-K259 VanDerWaalsContact O-CB 3.23Å; M255-K259 WeakPolarHBondContact O-CB 3.45Å; M255-K259 PolarHBondContact O-N 3.14Å; M255-F269 HydrophobicContact CB-CZ 4.26Å; M255-F269 HydrophobicContact CG-CZ 4.28Å; M255-V271 HydrophobicContact SD-CG1 4.27Å; M255-V271 HydrophobicContact SD-CG2 4.01Å; M255-P275 HydrophobicContact CE-CG 4.01Å
256A85.5Confident81.8Confident60 Ų6069.4 Ų69.450%0.49634%0.338SS..Hα-helixtrans-62.5-43.3177.700000111.5N252 Q253 A254 K259 E260N252-A256 PolarHBondContact O-N 3.38Å; Q253-A256 PolarHBondContact O-N 3.13Å; A254-A256 PolarHBondContact O-N 2.85Å; A256-K259 PolarHBondContact O-N 2.98Å; A256-E260 PolarHBondContact O-N 3.44Å
257V86Confident81.7Confident42 Ų4265 Ų6526%0.25532%0.321SS..Hα-helixtrans-64.8-42.7176173.60000111.6A214 Q253 A254 M255 K259 K261A214-V257 HydrophobicContact CB-CG1 3.92Å; Q253-V257 WeakPolarHBondContact O-CG2 3.41Å; Q253-V257 PolarHBondContact O-N 2.92Å; A254-V257 PolarHBondContact O-N 3.12Å; M255-V257 VanDerWaalsContact C-N 3.35Å; V257-K259 VanDerWaalsContact C-N 3.34Å; V257-K261 PolarHBondContact O-N 2.89Å
258I83.2Confident81.9Confident1 Ų168.9 Ų68.91%0.00534%0.344CS..Hα-helixtrans-62.4-45.6176-68.4163000109.8I195 A211 A254 M255 K261 I262 F269I195-I258 HydrophobicContact CD1-CD1 4.25Å; A211-I258 HydrophobicContact CB-CG2 4.28Å; A211-I258 WeakPolarHBondContact O-CG1 3.36Å; A254-I258 WeakPolarHBondContact O-CD1 3.21Å; A254-I258 WeakPolarHBondContact O-CG1 3.45Å; A254-I258 PolarHBondContact O-N 3.35Å; M255-I258 PolarHBondContact O-N 3.33Å; I258-K261 PolarHBondContact O-N 2.72Å; I258-I262 HydrophobicContact CG2-CG1 4.18Å; I258-I262 WeakPolarHBondContact O-CB 3.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.29Å; I258-I262 PolarHBondContact O-N 3.4Å; I258-F269 HydrophobicContact CB-CE2 4.37Å; I258-F269 HydrophobicContact CG2-CD2 3.92Å; I258-F269 HydrophobicContact CG2-CE2 3.65Å
259K84.7Confident81.9Confident95 Ų9567.7 Ų67.741%0.41334%0.337SS..Hα-helixtrans-59.4-49179.3-176.9-177.6174-174.90111.5M255 A256 V257 K261 I262 E263 F269M255-K259 VanDerWaalsContact O-CB 3.23Å; M255-K259 WeakPolarHBondContact O-CB 3.45Å; M255-K259 PolarHBondContact O-N 3.14Å; A256-K259 PolarHBondContact O-N 2.98Å; V257-K259 VanDerWaalsContact C-N 3.34Å; K259-K261 PolarHBondContact O-N 3.41Å; K259-I262 PolarHBondContact O-N 2.95Å; K259-E263 VanDerWaalsContact CE-OE2 3.24Å; K259-E263 WeakPolarHBondContact CE-OE2 3.45Å; K259-E263 HydrophobicContact CG-CG 4.36Å; K259-E263 WeakPolarHBondContact CG-OE2 3.18Å; K259-E263 WeakPolarHBondContact O-CB 3.1Å; K259-E263 WeakPolarHBondContact O-CG 3.48Å; K259-E263 PolarHBondContact O-N 2.74Å; K259-F269 HydrophobicContact CB-CD1 3.92Å; K259-F269 HydrophobicContact CB-CE1 4.28Å; K259-F269 HydrophobicContact CB-CG 4.22Å; K259-F269 HydrophobicContact CD-CD1 4.32Å; K259-F269 HydrophobicContact CG-CB 4.35Å; K259-F269 HydrophobicContact CG-CD1 4Å; K259-F269 HydrophobicContact CG-CG 4.35Å
260E85.6Confident81.9Confident145 Ų14568.1 Ų68.168%0.67833%0.333SS*.Hα-helixtrans-58.2-45.9179.7-172.2177.690.500111.9A256 I262 E263 E264A256-E260 PolarHBondContact O-N 3.44Å; E260-I262 PolarHBondContact O-N 2.65Å; E260-E263 PolarHBondContact O-N 3.39Å; E260-E264 PolarHBondContact O-N 2.82Å
261K81.6Confident82Confident67 Ų6769.3 Ų69.329%0.29134%0.341SS..Hα-helixtrans-67.2-33.9177.9-75.8-164.6173.9-155.40113.9A211 A214 V257 I258 K259A211-K261 HydrophobicContact CB-CB 3.98Å; A214-K261 HydrophobicContact CB-CD 3.71Å; V257-K261 PolarHBondContact O-N 2.89Å; I258-K261 PolarHBondContact O-N 2.72Å; K259-K261 PolarHBondContact O-N 3.41Å
262I82.2Confident81.9Confident0 Ų074 Ų740%036%0.363CS..Hα-helixtrans-74.6-38.4177.9-68.5-65.8000110.6V197 V208 A211 I258 K259 E260 K265 R266 G267 F269V197-I262 HydrophobicContact CG1-CD1 3.44Å; V197-I262 VanDerWaalsContact CG1-CD1 3.44Å; V197-I262 HydrophobicContact CG1-CG1 3.73Å; V197-I262 HydrophobicContact CG1-CG2 4.28Å; V208-I262 HydrophobicContact CG2-CD1 4.09Å; A211-I262 HydrophobicContact CB-CD1 3.66Å; A211-I262 HydrophobicContact CB-CG1 3.77Å; I258-I262 HydrophobicContact CG2-CG1 4.18Å; I258-I262 WeakPolarHBondContact O-CB 3.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.29Å; I258-I262 PolarHBondContact O-N 3.4Å; K259-I262 PolarHBondContact O-N 2.95Å; E260-I262 PolarHBondContact O-N 2.65Å; I262-K265 PolarHBondContact O-N 2.84Å; I262-R266 PolarHBondContact O-N 3.4Å; I262-G267 WeakPolarHBondContact O-CA 3.27Å; I262-G267 PolarHBondContact O-N 2.89Å; I262-F269 HydrophobicContact CG2-CB 4.2Å
263E82.1Confident81.7Confident113 Ų11372.7 Ų72.753%0.52836%0.355SS..Hα-helixtrans-65.8-38.7175.3-74.6-175.3116.900112K259 E260 K265 R266K259-E263 VanDerWaalsContact CE-OE2 3.24Å; K259-E263 WeakPolarHBondContact CE-OE2 3.45Å; K259-E263 HydrophobicContact CG-CG 4.36Å; K259-E263 WeakPolarHBondContact CG-OE2 3.18Å; K259-E263 WeakPolarHBondContact O-CB 3.1Å; K259-E263 WeakPolarHBondContact O-CG 3.48Å; K259-E263 PolarHBondContact O-N 2.74Å; E260-E263 PolarHBondContact O-N 3.39Å; E263-K265 PolarHBondContact O-N 2.68Å; E263-R266 PolarHBondContact O-N 2.81Å; E263-R266 VanDerWaalsContact O-N 3.09Å
264E81.1Confident81.6Confident157 Ų15774.2 Ų74.273%0.73436%0.362SS*.Hα-helixtrans-56.3-36.9175.4-172.6177.779.100112.1E260E260-E264 PolarHBondContact O-N 2.82Å
265K75.5Confident81.4Confident74 Ų7474.9 Ų74.932%0.32237%0.366SS..THydrogen-bonded Turntrans-95.416.7-178.2-64.7-176174.51750113.6A207 E210 I262 E263 G267A207-K265 HydrophobicContact CB-CB 4.07Å; A207-K265 HydrophobicContact CB-CD 3.27Å; A207-K265 HydrophobicContact CB-CG 4.26Å; E210-K265 IonicContact OE1-NZ 3.93Å; E210-K265 PolarHBondContact OE1-NZ 3.25Å; I262-K265 PolarHBondContact O-N 2.84Å; E263-K265 PolarHBondContact O-N 2.68Å; K265-G267 VanDerWaalsContact C-N 3.29Å; K265-G267 PolarHBondContact O-N 3.44Å
266R75.5Confident81.3Confident228 Ų22879.6 Ų79.686%0.8639%0.386SS*.THydrogen-bonded Turntrans57.634.1-178-60.6-177175.9-179-0.8114.2I262 E263I262-R266 PolarHBondContact O-N 3.4Å; E263-R266 PolarHBondContact O-N 2.81Å; E263-R266 VanDerWaalsContact O-N 3.09Å
267G75.3Confident80.9Confident12 Ų1278.8 Ų78.812%0.12438%0.375CS..  trans-88.8165.1170.200000112.8A198 I262 K265A198-G267 CarbonylContact O-C 3.5Å; A198-G267 WeakPolarHBondContact O-CA 3.35Å; I262-G267 WeakPolarHBondContact O-CA 3.27Å; I262-G267 PolarHBondContact O-N 2.89Å; K265-G267 VanDerWaalsContact C-N 3.29Å; K265-G267 PolarHBondContact O-N 3.44Å
268V79.8Confident80.4Confident82 Ų8277.9 Ų77.950%0.49737%0.369SS..EExtended strand (participates in β ladder)trans-104127.4173.3-177.80000108.3A198 Y200A198-V268 PolarHBondContact N-O 3.34Å; A198-V268 PolarHBondContact O-N 3.03Å; Y200-V268 HydrophobicContact CE2-CG2 4.3Å
269F79.9Confident79.9Confident32 Ų3281 Ų8114%0.1439%0.389CS..EExtended strand (participates in β ladder)trans-116.9122.2173.6-179.9-93.8000109I195 E196 V197 M255 I258 K259 I262 V271I195-F269 HydrophobicContact CB-CE2 3.9Å; I195-F269 HydrophobicContact CB-CZ 4.04Å; I195-F269 HydrophobicContact CD1-CE2 4.2Å; I195-F269 HydrophobicContact CG1-CE2 4.49Å; I195-F269 HydrophobicContact CG2-CE2 4.16Å; I195-F269 HydrophobicContact CG2-CZ 3.83Å; E196-F269 WeakPolarHBondContact O-CA 3.44Å; V197-F269 HydrophobicContact CG2-CD2 3.91Å; V197-F269 HydrophobicContact CG2-CE2 4.09Å; M255-F269 HydrophobicContact CB-CZ 4.26Å; M255-F269 HydrophobicContact CG-CZ 4.28Å; I258-F269 HydrophobicContact CB-CE2 4.37Å; I258-F269 HydrophobicContact CG2-CD2 3.92Å; I258-F269 HydrophobicContact CG2-CE2 3.65Å; K259-F269 HydrophobicContact CB-CD1 3.92Å; K259-F269 HydrophobicContact CB-CE1 4.28Å; K259-F269 HydrophobicContact CB-CG 4.22Å; K259-F269 HydrophobicContact CD-CD1 4.32Å; K259-F269 HydrophobicContact CG-CB 4.35Å; K259-F269 HydrophobicContact CG-CD1 4Å; K259-F269 HydrophobicContact CG-CG 4.35Å; I262-F269 HydrophobicContact CG2-CB 4.2Å; F269-V271 HydrophobicContact CD1-CG2 4.3Å; F269-V271 HydrophobicContact CE1-CG2 3.43Å; F269-V271 VanDerWaalsContact CE1-CG2 3.43Å; F269-V271 HydrophobicContact CZ-CG2 3.97Å
270N82.2Confident78.9Confident81 Ų8182.8 Ų82.843%0.43340%0.403SS..EExtended strand (participates in β ladder)trans-130132.4178.8-163.734.2000110.5E196E196-N270 WeakPolarHBondContact CA-O 3.39Å; E196-N270 HydrophobicContact CB-CB 4.21Å; E196-N270 WeakPolarHBondContact CB-O 3.37Å; E196-N270 PolarHBondContact N-O 2.98Å; E196-N270 PolarHBondContact O-N 2.96Å
271V84.1Confident77.9Confident52 Ų5280.2 Ų80.232%0.31540%0.397SS..EExtended strand (participates in β ladder)trans-93.8110.3178.3-177.40000107.6M255 F269 E274M255-V271 HydrophobicContact SD-CG1 4.27Å; M255-V271 HydrophobicContact SD-CG2 4.01Å; F269-V271 HydrophobicContact CD1-CG2 4.3Å; F269-V271 HydrophobicContact CE1-CG2 3.43Å; F269-V271 VanDerWaalsContact CE1-CG2 3.43Å; F269-V271 HydrophobicContact CZ-CG2 3.97Å; V271-E274 HydrophobicContact CG1-CG 4.31Å
272Q80.4Confident77.1Confident98 Ų9878.4 Ų78.446%0.45839%0.391SS..EExtended strand (participates in β ladder)trans-76.6-42.6176.6-73.7-82-0.300110.2D194 E196D194-Q272 HydrophobicContact CB-CB 4.19Å; D194-Q272 PolarHBondContact O-N 3.18Å; E196-Q272 HydrophobicContact CB-CG 4.32Å; E196-Q272 PolarHBondContact OE2-NE2 2.88Å
273M80.5Confident76.3Confident51 Ų5182.3 Ų82.325%0.25141%0.409SS..EExtended strand (participates in β ladder)trans-135.3118.4177.4-165176.477.100110R192 A193 D194 K276R192-M273 HydrophobicContact CB-CE 4.4Å; R192-M273 HydrophobicContact CG-CE 3.94Å; A193-M273 WeakPolarHBondContact CA-O 3.3Å; A193-M273 WeakPolarHBondContact CB-O 3.21Å; D194-M273 HydrophobicContact CB-CB 3.85Å; D194-M273 PolarHBondContact N-O 3.38Å; D194-M273 PolarHBondContact O-N 3.41Å; D194-M273 VanDerWaalsContact O-N 3.12Å; M273-K276 HydrophobicContact CE-CB 4.45Å
274E81.6Confident75.5Confident152 Ų15280.2 Ų80.271%0.7140%0.404SS*.EExtended strand (participates in β ladder)trans-58154.5171.3-70.7-174.910800111.2V271 K276V271-E274 HydrophobicContact CG1-CG 4.31Å; E274-K276 PolarHBondContact O-N 3.07Å
275P79.7Confident74.9Confident15 Ų1578.4 Ų78.410%0.09740%0.395CS..EExtended strand (participates in β ladder)trans-58.5114.3-176.625.4-35.8000110.4I191 R192 A193 L248 L251 M255I191-P275 HydrophobicContact CG2-CB 3.96Å; R192-P275 CarbonylContact O-C 3.28Å; R192-P275 VanDerWaalsContact O-CA 3.3Å; R192-P275 WeakPolarHBondContact O-CA 3.43Å; A193-P275 HydrophobicContact CB-CB 4.11Å; L248-P275 HydrophobicContact CD2-CB 3.82Å; L248-P275 HydrophobicContact CD2-CG 4.02Å; L248-P275 WeakPolarHBondContact CD2-O 3.17Å; L251-P275 HydrophobicContact CB-CB 4.05Å; L251-P275 HydrophobicContact CB-CG 4.47Å; L251-P275 HydrophobicContact CD1-CB 3.92Å; M255-P275 HydrophobicContact CE-CG 4.01Å
276K81.4Confident74.4Confident114 Ų11476.1 Ų76.150%0.49639%0.387SS..EExtended strand (participates in β ladder)trans-123141-177.8-168.7-174.7171.9-159.60109.6I191 R192 M273 E274 V278I191-K276 WeakPolarHBondContact CA-O 3.31Å; I191-K276 WeakPolarHBondContact CG2-O 3.48Å; R192-K276 PolarHBondContact N-O 2.87Å; R192-K276 PolarHBondContact O-N 3.37Å; M273-K276 HydrophobicContact CE-CB 4.45Å; E274-K276 PolarHBondContact O-N 3.07Å; K276-V278 PolarHBondContact O-N 3.46Å
277V77.4Confident74Confident43 Ų4368.1 Ų68.126%0.26137%0.369SS..EExtended strand (participates in β ladder)trans-63.1121.2170.5167.40000108.8V189 I191 R244V189-V277 HydrophobicContact CG1-CB 4.05Å; V189-V277 HydrophobicContact CG1-CG1 3.2Å; V189-V277 HydrophobicContact CG1-CG2 3.87Å; I191-V277 HydrophobicContact CG1-CG2 4.22Å; R244-V277 HydrophobicContact CG-CG2 4.33Å
278V75.3Confident73.9Confident23 Ų2376.6 Ų76.614%0.13940%0.397CS..PPolyproline II helixtrans-77.6129.2178.6-1760000108.5K190 R192 K276 D282 E283K190-V278 HydrophobicContact CB-CB 4.2Å; K190-V278 HydrophobicContact CB-CG2 4.45Å; K190-V278 WeakPolarHBondContact O-CB 3.3Å; K190-V278 PolarHBondContact O-N 3.07Å; R192-V278 HydrophobicContact CB-CG2 3.2Å; R192-V278 HydrophobicContact CG-CG2 4.38Å; K276-V278 PolarHBondContact O-N 3.46Å; V278-D282 HydrophobicContact CG1-CB 3.74Å; V278-E283 HydrophobicContact CG1-CG 3.54Å
279T71.3Confident73.2Confident68 Ų6877.2 Ų77.242%0.41739%0.394SS..PPolyproline II helixtrans-94161.8166.9680000110T281 D282 E283T279-T281 PolarHBondContact O-N 2.88Å; T279-D282 PolarHBondContact N-OD2 2.98Å; T279-D282 WeakPolarHBondContact O-CB 3.01Å; T279-D282 PolarHBondContact O-N 3.23Å; T279-D282 PolarHBondContact OG1-OD2 3.18Å; T279-E283 PolarHBondContact O-N 2.85Å
280D63.9Low72.5Confident132 Ų13278.3 Ų78.371%0.70640%0.402SS*.Hα-helixtrans-53.3-30.5176.1-163.4-105000112E283 T284D280-E283 PolarHBondContact O-N 3.4Å; D280-T284 PolarHBondContact O-N 3.5Å
281T64.4Low71.9Confident90 Ų9079.7 Ų79.755%0.55241%0.406SS*.Hα-helixtrans-67.2-44.3174.8-39.10000112.4T279 E283 T284 E285T279-T281 PolarHBondContact O-N 2.88Å; T281-E283 VanDerWaalsContact C-N 3.31Å; T281-E283 PolarHBondContact O-N 3.38Å; T281-T284 PolarHBondContact O-N 3.49Å; T281-T284 PolarHBondContact O-OG1 3.05Å; T281-E285 PolarHBondContact O-N 2.88Å; T281-E285 VanDerWaalsContact O-N 3.12Å
282D66.2Low71.2Confident30 Ų3085.5 Ų85.516%0.1642%0.422CS..Hα-helixtrans-64-32.9177.1-70.6-100.4000112.1V278 T279 L286V278-D282 HydrophobicContact CG1-CB 3.74Å; T279-D282 PolarHBondContact N-OD2 2.98Å; T279-D282 WeakPolarHBondContact O-CB 3.01Å; T279-D282 PolarHBondContact O-N 3.23Å; T279-D282 PolarHBondContact OG1-OD2 3.18Å; D282-L286 WeakPolarHBondContact O-CB 3.45Å; D282-L286 PolarHBondContact O-N 3.18Å
283E64.8Low70.4Confident82 Ų8282.8 Ų82.838%0.38341%0.41SS..Hα-helixtrans-65.1-41.9175.1-71.3-161.777.100111.5K190 V278 T279 D280 T281 L286 A287K190-E283 IonicContact NZ-OE1 3.91Å; K190-E283 PolarHBondContact NZ-OE1 2.82Å; K190-E283 IonicContact NZ-OE2 3.92Å; K190-E283 PolarHBondContact NZ-OE2 3.43Å; V278-E283 HydrophobicContact CG1-CG 3.54Å; T279-E283 PolarHBondContact O-N 2.85Å; D280-E283 PolarHBondContact O-N 3.4Å; T281-E283 VanDerWaalsContact C-N 3.31Å; T281-E283 PolarHBondContact O-N 3.38Å; E283-L286 PolarHBondContact O-N 3.14Å; E283-A287 PolarHBondContact O-N 2.96Å
284T66.2Low69.6Low69 Ų6986.7 Ų86.742%0.42343%0.428SS..Hα-helixtrans-69.7-35.1178.758.70000113.4D280 T281 R288D280-T284 PolarHBondContact O-N 3.5Å; T281-T284 PolarHBondContact O-N 3.49Å; T281-T284 PolarHBondContact O-OG1 3.05Å; T284-R288 PolarHBondContact O-N 2.94Å
285E67.8Low68.8Low119 Ų11986.7 Ų86.756%0.55642%0.421SS*.Hα-helixtrans-67.4-40.8174.4-71.2-171.6123.500111.2T281 R288 Q289T281-E285 PolarHBondContact O-N 2.88Å; T281-E285 VanDerWaalsContact O-N 3.12Å; E285-R288 PolarHBondContact O-N 3.37Å; E285-Q289 WeakPolarHBondContact O-CB 3.39Å; E285-Q289 PolarHBondContact O-N 3.47Å
286L64.9Low68Low26 Ų2690.4 Ų90.414%0.13644%0.437CS..Hα-helixtrans-64.3-44176.4-177.557000112.3I230 D282 E283 R288 Q289 L290I230-L286 HydrophobicContact CD1-CD1 4.11Å; D282-L286 WeakPolarHBondContact O-CB 3.45Å; D282-L286 PolarHBondContact O-N 3.18Å; E283-L286 PolarHBondContact O-N 3.14Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 PolarHBondContact O-N 3.23Å; L286-Q289 CarbonylContact O-C 3.57Å; L286-Q289 PolarHBondContact O-N 3.2Å; L286-Q289 VanDerWaalsContact O-N 3.07Å; L286-L290 HydrophobicContact CD1-CD1 4.05Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CD2-CD1 4.3Å; L286-L290 HydrophobicContact CG-CD1 3.74Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CB 3.41Å; L286-L290 PolarHBondContact O-N 3.1Å
287A67.8Low67Low59 Ų5989.7 Ų89.749%0.48844%0.439SS..Hα-helixtrans-59.2-40.7178.200000111.7E283 E291E283-A287 PolarHBondContact O-N 2.96Å; A287-E291 WeakPolarHBondContact O-CB 3.16Å; A287-E291 PolarHBondContact O-N 3.01Å
288R71.8Confident66.2Low191 Ų19191.3 Ų91.372%0.72146%0.457SS*.Hα-helixtrans-66.8-36.9173.8-72.8-179.6-176.8162.33.7112.7T284 E285 L286 R292T284-R288 PolarHBondContact O-N 2.94Å; E285-R288 PolarHBondContact O-N 3.37Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 PolarHBondContact O-N 3.23Å; R288-R292 WeakPolarHBondContact O-CB 3.36Å; R288-R292 PolarHBondContact O-N 3.23Å
289Q66.4Low65.4Low94 Ų9497.6 Ų97.644%0.43949%0.485SS..Hα-helixtrans-71.1-39.7179.1-163.1175.213.400111.8E285 L286 R292 L293E285-Q289 WeakPolarHBondContact O-CB 3.39Å; E285-Q289 PolarHBondContact O-N 3.47Å; L286-Q289 CarbonylContact O-C 3.57Å; L286-Q289 PolarHBondContact O-N 3.2Å; L286-Q289 VanDerWaalsContact O-N 3.07Å; Q289-R292 PolarHBondContact O-N 2.9Å; Q289-L293 HydrophobicContact CG-CD1 4.06Å; Q289-L293 WeakPolarHBondContact O-CB 3.43Å; Q289-L293 WeakPolarHBondContact O-CD1 3.31Å; Q289-L293 VanDerWaalsContact O-CG 3.24Å; Q289-L293 WeakPolarHBondContact O-CG 3.29Å; Q289-L293 PolarHBondContact O-N 3.2Å
290L64.7Low64.6Low56 Ų56100.1 Ų100.129%0.29350%0.5SS..Hα-helixtrans-60.4-49.9171.3-85.2153.2000110.8I230 L286 R292 L293 E294I230-L290 HydrophobicContact CG1-CD2 4.23Å; I230-L290 HydrophobicContact CG2-CD2 4.09Å; L286-L290 HydrophobicContact CD1-CD1 4.05Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CD2-CD1 4.3Å; L286-L290 HydrophobicContact CG-CD1 3.74Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CB 3.41Å; L286-L290 PolarHBondContact O-N 3.1Å; L290-R292 VanDerWaalsContact C-N 3.28Å; L290-R292 PolarHBondContact O-N 2.96Å; L290-L293 PolarHBondContact O-N 2.88Å; L290-E294 WeakPolarHBondContact O-CB 3.49Å; L290-E294 WeakPolarHBondContact O-CG 3.36Å; L290-E294 PolarHBondContact O-N 3.47Å
291E69.6Low63.6Low110 Ų110101.2 Ų101.251%0.51451%0.506SS..Hα-helixtrans-61.9-37.1179.5-171-179.5106.400112.2A287 R295A287-E291 WeakPolarHBondContact O-CB 3.16Å; A287-E291 PolarHBondContact O-N 3.01Å; E291-R295 WeakPolarHBondContact O-CG 3.34Å; E291-R295 PolarHBondContact O-N 3.13Å; E291-R295 IonicContact OE1-CZ 3.76Å; E291-R295 IonicContact OE1-NH2 2.87Å; E291-R295 PolarHBondContact OE1-NH2 2.97Å
292R68.5Low62.6Low173 Ų173100.1 Ų100.165%0.65351%0.512SS*.Hα-helixtrans-67.7-45176.5-171.2177.6179.6167.33.1112.1R288 Q289 L290 R295 E296R288-R292 WeakPolarHBondContact O-CB 3.36Å; R288-R292 PolarHBondContact O-N 3.23Å; Q289-R292 PolarHBondContact O-N 2.9Å; L290-R292 VanDerWaalsContact C-N 3.28Å; L290-R292 PolarHBondContact O-N 2.96Å; R292-R295 PolarHBondContact O-N 3.08Å; R292-E296 WeakPolarHBondContact O-CG 3.39Å; R292-E296 PolarHBondContact O-N 3.45Å
293L63.8Low61.5Low42 Ų42105.7 Ų105.722%0.2254%0.542CS..Hα-helixtrans-72-32.5179.4-70.9167.2000112.3I230 Q289 L290 N297I230-L293 HydrophobicContact CG2-CD1 3.52Å; Q289-L293 HydrophobicContact CG-CD1 4.06Å; Q289-L293 WeakPolarHBondContact O-CB 3.43Å; Q289-L293 WeakPolarHBondContact O-CD1 3.31Å; Q289-L293 VanDerWaalsContact O-CG 3.24Å; Q289-L293 WeakPolarHBondContact O-CG 3.29Å; Q289-L293 PolarHBondContact O-N 3.2Å; L290-L293 PolarHBondContact O-N 2.88Å; L293-N297 WeakPolarHBondContact O-CB 3.24Å; L293-N297 PolarHBondContact O-N 2.69Å; L293-N297 PolarHBondContact O-ND2 3.08Å
294E64.8Low60.5Low132 Ų132109.3 Ų109.362%0.61756%0.564SS**Hα-helixtrans-65.7-40.2170.9-80.4-176.190.300111.1L290 A298L290-E294 WeakPolarHBondContact O-CB 3.49Å; L290-E294 WeakPolarHBondContact O-CG 3.36Å; L290-E294 PolarHBondContact O-N 3.47Å; E294-A298 WeakPolarHBondContact O-CB 3.4Å; E294-A298 PolarHBondContact O-N 2.96Å
295R63.6Low59.4Low152 Ų152112.4 Ų112.457%0.57458%0.578SS**Hα-helixtrans-64-48.7171.9-79.3-176.5-174.8159.313.1112.1E291 R292 N297 A298 E299E291-R295 WeakPolarHBondContact O-CG 3.34Å; E291-R295 PolarHBondContact O-N 3.13Å; E291-R295 IonicContact OE1-CZ 3.76Å; E291-R295 IonicContact OE1-NH2 2.87Å; E291-R295 PolarHBondContact OE1-NH2 2.97Å; R292-R295 PolarHBondContact O-N 3.08Å; R295-N297 VanDerWaalsContact C-N 3.25Å; R295-N297 PolarHBondContact O-N 3.42Å; R295-A298 PolarHBondContact O-N 3.33Å; R295-A298 VanDerWaalsContact O-N 3.13Å; R295-E299 WeakPolarHBondContact O-CB 3.42Å; R295-E299 WeakPolarHBondContact O-CG 3.4Å; R295-E299 PolarHBondContact O-N 3.22Å
296E62.9Low58.1Low94 Ų94110.7 Ų110.744%0.43958%0.584SS.*Hα-helixtrans-62.4-31.2179.4-74.6170.8135.700112.5R292 V300R292-E296 WeakPolarHBondContact O-CG 3.39Å; R292-E296 PolarHBondContact O-N 3.45Å; E296-V300 WeakPolarHBondContact O-CG2 3.32Å
297N61.8Low57Low98 Ų98117.5 Ų117.552%0.52462%0.615SS.*Hα-helixtrans-82.3-30.8173.2-79.6-31.1000113.5L293 R295L293-N297 WeakPolarHBondContact O-CB 3.24Å; L293-N297 PolarHBondContact O-N 2.69Å; L293-N297 PolarHBondContact O-ND2 3.08Å; R295-N297 VanDerWaalsContact C-N 3.25Å; R295-N297 PolarHBondContact O-N 3.42Å
298A60.9Low55.6Low77 Ų77124 Ų12464%0.63664%0.636SS**Hα-helixtrans-77.6-24.8178.700000112.9E294 R295 V300E294-A298 WeakPolarHBondContact O-CB 3.4Å; E294-A298 PolarHBondContact O-N 2.96Å; R295-A298 PolarHBondContact O-N 3.33Å; R295-A298 VanDerWaalsContact O-N 3.13Å; A298-V300 VanDerWaalsContact C-N 3.28Å; A298-V300 PolarHBondContact O-N 3.45Å
299E58Low54Low155 Ų155122.5 Ų122.572%0.72464%0.638SS**THydrogen-bonded Turntrans-80.8-3.6179.1-73178.7111.600113.6R295 D301R295-E299 WeakPolarHBondContact O-CB 3.42Å; R295-E299 WeakPolarHBondContact O-CG 3.4Å; R295-E299 PolarHBondContact O-N 3.22Å; E299-D301 PolarHBondContact O-N 2.98Å
300V53.9Low52.6Low121 Ų121126 Ų12673%0.73366%0.655SS**  trans-101.357174.9-165.20000110.2E296 A298E296-V300 WeakPolarHBondContact O-CG2 3.32Å; A298-V300 VanDerWaalsContact C-N 3.28Å; A298-V300 PolarHBondContact O-N 3.45Å
301D42.8Very low51.2Low156 Ų156128 Ų12883%0.83468%0.679SS**  trans-92.2121.2160.4-152.7-118.7000106.3E299E299-D301 PolarHBondContact O-N 2.98Å
302G43.6Very low49.8Very low66 Ų66131.1 Ų131.168%0.6869%0.691SS**  trans-59.3138.2-156.600000116.4D304G302-D304 PolarHBondContact O-N 3.21Å
303D43.8Very low48.2Very low147 Ų147129.4 Ų129.479%0.78670%0.7SS**  trans-68.5107.5157.3-1488000107.6D305D303-D305 PolarHBondContact O-N 3.48Å; D303-D305 VanDerWaalsContact O-N 3.13Å
304D43.2Very low46.9Very low159 Ų159136 Ų13685%0.8573%0.73SS**  trans-82.169.9172.1-150.2-4.8000107.6G302G302-D304 PolarHBondContact O-N 3.21Å
305D43.3Very low45.5Very low133 Ų133141.3 Ų141.371%0.71176%0.762SS**  trans-100.178.5174.1-130.3-65000108.8D303 E307D303-D305 PolarHBondContact O-N 3.48Å; D303-D305 VanDerWaalsContact O-N 3.13Å; D305-E307 PolarHBondContact O-N 3.18Å
306A41Very low44.6Very low83 Ų83140.8 Ų140.869%0.68677%0.772SS**  trans-80.6109.2165.200000109E308A306-E308 PolarHBondContact O-N 3.21Å; A306-E308 VanDerWaalsContact O-N 3.13Å
307E41.3Very low43.6Very low170 Ų170143.3 Ų143.379%0.79479%0.789SS**  trans-44.9111.1166.9-67.517713100111.9D305D305-E307 PolarHBondContact O-N 3.18Å
308E38.4Very low42.6Very low196 Ų196145.8 Ų145.892%0.91680%0.804SS**  trans-101.589.5156-142.3173.8-179.300108A306A306-E308 PolarHBondContact O-N 3.21Å; A306-E308 VanDerWaalsContact O-N 3.13Å
309M36.7Very low41.6Very low158 Ų158149.8 Ų149.878%0.77881%0.814SS**  trans-66.9131176.6-146.6-175.2-85.100109.8A311M309-A311 PolarHBondContact O-N 3.19Å
310E37.5Very low40.5Very low169 Ų169149.5 Ų149.579%0.7982%0.819SS**  trans-48.2130.2177.2-70.6177.6117.900113.5
311A35.5Very low39.6Very low96 Ų96151.4 Ų151.479%0.79383%0.825SS**  trans-12690.3152.100000109.2M309M309-A311 PolarHBondContact O-N 3.19Å
312K40.1Very low39.4Very low176 Ų176151.1 Ų151.177%0.76582%0.824SS**  trans-64.3128.5157.9-78.5177.2178.1167.90108.5
313T34.7Very low39.1Very low138 Ų138157.6 Ų157.685%0.84784%0.836SS**  trans-128.8121.4147.4-20.30000107.3
314E37.2Very low38.7Very low181 Ų181158.5 Ų158.585%0.84684%0.84SS**  trans-61.3155.4172.9-75.5160.583.300112.3
315D35.5Very low38.3Very low243 Ų243158.5 Ų158.5100%1.29984%0.839SS**  trans320154.5-142.5-112.1000119.5

Retrieved 315 of 315 residues in 1961.9 ms (Link to these results)

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