A0A087XXJ0_POEFO Loading...

Iron-sulfur cluster assembly enzyme ISCU

AlphaFold DB , UniProt , Accession A0A087XXJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 157 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
1M36.1Very low40.5Very low250 Ų250152.7 Ų152.7100%1.23284%0.844SS**  0123.80-71.6-179.4165.200106.8
2A36.5Very low41.2Very low98 Ų98151.3 Ų151.381%0.8183%0.833SS**  cis-150.2148.84.200000107.7
3A37.3Very low41.2Very low99 Ų99151.8 Ų151.882%0.81883%0.832SS**  trans-71.9146.1176.600000111.2
4V42.9Very low41.3Very low145 Ų145147.4 Ų147.488%0.87982%0.817SS**  trans-120.4137.5161.61780000108.3
5T37.8Very low41.8Very low113 Ų113149.2 Ų149.269%0.69382%0.824SS**  trans-91.4147.8-155.8290000115.6
6L40.7Very low42Very low158 Ų158149.6 Ų149.683%0.82782%0.815SS**  trans49.5118135.2-73151.3000121
7R40.3Very low42.6Very low236 Ų236146.4 Ų146.489%0.89181%0.806SS**  172.4109.8113.9-96.8174.3177.7-158.7-0.4108.6
8N41.7Very low42.8Very low145 Ų145147.3 Ų147.378%0.77580%0.801SS**  55.2102.593.5-16537.7000114.4
9S42.2Very low43.5Very low116 Ų116144.1 Ų144.181%0.81179%0.79SS**  trans-160.7117.9142.51790000109.7
10R48.3Very low43.4Very low215 Ų215146 Ų14681%0.81179%0.791SS**  trans-75134.8170-69172.8167.6179.4-4.7109.5
11S41.8Very low43.6Very low105 Ų105147.8 Ų147.873%0.73479%0.791SS**  trans-153.398.6149.4-163.10000103.8
12L49.3Very low44.3Very low136 Ų136146.6 Ų146.671%0.71277%0.773SS**  41126.757.2-94.6164.6000112
13L40.3Very low44.8Very low158 Ų158146.7 Ų146.783%0.82777%0.766SS**  trans79.1119.2-174.5-58.1125.4000113
14S43.1Very low45.7Very low89 Ų89149.7 Ų149.762%0.62276%0.763SS**  cis-162.9122.812.749.80000109.4F16S14-F16 PolarHBondContact O-N 3.41Å
15L49Very low46.2Very low175 Ų175149 Ų14992%0.91675%0.753SS**  trans-55.595.4145.8-79.1145000107.2
16F44.9Very low47.1Very low156 Ų156149.6 Ų149.668%0.68475%0.752SS**  trans-118.875.1156.5-109.1-86.1000107.7S14 K18S14-F16 PolarHBondContact O-N 3.41Å; F16-K18 HydrophobicContact CD1-CG 3.81Å; F16-K18 PolarHBondContact O-N 3.49Å
17S52.6Low47.7Very low94 Ų94146 Ų14666%0.65775%0.745SS**  trans-48.883.4143.7158.60000108S19S17-S19 PolarHBondContact O-N 3.48Å
18K46.3Very low48.3Very low163 Ų163141.1 Ų141.171%0.70974%0.736SS**  trans-80.371.9156.7-72.1-172.9178.4177.30106.1F16 F20F16-K18 HydrophobicContact CD1-CG 3.81Å; F16-K18 PolarHBondContact O-N 3.49Å; K18-F20 PolarHBondContact O-N 3.05Å
19S54.9Low49.1Very low87 Ų87140.6 Ų140.661%0.60874%0.742SS**  trans-55.187.9140.854.20000104.9S17 F21S17-S19 PolarHBondContact O-N 3.48Å; S19-F21 PolarHBondContact O-N 3.25Å
20F42.3Very low50.4Low181 Ų181139.1 Ų139.179%0.79473%0.732SS**  trans-65.294.6174.4-159.2-97.8000104.3K18 R22K18-F20 PolarHBondContact O-N 3.05Å; F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 PolarHBondContact O-N 2.91Å
21F46.8Very low52Low184 Ų184135 Ų13581%0.80772%0.718SS**  trans-40.5100.5171.1-131.8-106.6000105.6S19 P23S19-F21 PolarHBondContact O-N 3.25Å; F21-P23 VanDerWaalsContact O-CD 3.26Å; F21-P23 WeakPolarHBondContact O-CD 3.49Å; F21-P23 VanDerWaalsContact O-N 3.14Å
22R51.1Low54.2Low226 Ų226133.8 Ų133.885%0.85370%0.7SS**  trans-59.9118.6160.8-79.7-177.1174.9-145.7-0.7103F20 E24F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 PolarHBondContact O-N 2.91Å; R22-E24 PolarHBondContact O-N 3.13Å
23P47.8Very low56.2Low100 Ų100136 Ų13665%0.64970%0.704SS**  trans-55.8120.1166.524.4-28.7000104.8F21 L25F21-P23 VanDerWaalsContact O-CD 3.26Å; F21-P23 WeakPolarHBondContact O-CD 3.49Å; F21-P23 VanDerWaalsContact O-N 3.14Å; P23-L25 PolarHBondContact O-N 3.04Å
24E56.5Low58.6Low161 Ų161132.1 Ų132.175%0.75268%0.68SS**  trans-61.195.3164.9-86.6-152.3163.700105.6R22 N26R22-E24 PolarHBondContact O-N 3.13Å; E24-N26 PolarHBondContact O-N 3.42Å; E24-N26 PolarHBondContact OE2-ND2 2.86Å
25L51.8Low61Low131 Ų131128.1 Ų128.169%0.68665%0.652SS**  trans-76.167.3174.5-147.3155.1000106.2P23 A27P23-L25 PolarHBondContact O-N 3.04Å; L25-A27 PolarHBondContact O-N 2.82Å
26N56.9Low63.1Low125 Ų125122 Ų12267%0.66862%0.622SS**  trans-81.461172.9-74.1-21.3000109.2E24E24-N26 PolarHBondContact O-N 3.42Å; E24-N26 PolarHBondContact OE2-ND2 2.86Å
27A54.4Low65.5Low83 Ų83117.5 Ų117.569%0.68661%0.605SS**  trans-125.547.3152.800000107.7L25 C29L25-A27 PolarHBondContact O-N 2.82Å; A27-C29 PolarHBondContact O-N 3.31Å
28L52.3Low67.5Low133 Ų133113.9 Ų113.970%0.69658%0.578SS**  trans-67.8116.7159.6-105.2121.8000106.4S30L28-S30 PolarHBondContact O-N 2.92Å
29C58.2Low69.8Low134 Ų134112.2 Ų112.291%0.90557%0.568SS**  trans-65.466.3163.9-162.30000108A27A27-C29 PolarHBondContact O-N 3.31Å
30S70.5Confident71.6Confident85 Ų85114.3 Ų114.359%0.59457%0.568SS**PPolyproline II helixtrans-89.6129.5-174.8-89.30000109.2L28L28-S30 PolarHBondContact O-N 2.92Å
31Y80.5Confident74.1Confident130 Ų130110.1 Ų110.151%0.5155%0.554SS.*PPolyproline II helixtrans-61144.7166.5-66.4-77.9000110V35Y31-V35 HydrophobicContact CD1-CG1 4Å; Y31-V35 HydrophobicContact CG-CG1 4.45Å
32H89.5Confident76.3Confident78 Ų78103.8 Ų103.836%0.36153%0.531SS..PPolyproline II helixtrans-60.8143.8172.7-169.6-97.2000109.8K34 V35 V36 C126H32-K34 PolarHBondContact ND1-N 3.34Å; H32-K34 PolarHBondContact O-N 3.41Å; H32-V35 HydrophobicContact CB-CG2 4.34Å; H32-V35 WeakPolarHBondContact O-CA 2.81Å; H32-V35 WeakPolarHBondContact O-CB 3.46Å; H32-V35 PolarHBondContact O-N 3.32Å; H32-V36 PolarHBondContact O-N 3.07Å; H32-V36 VanDerWaalsContact O-N 3.14Å; H32-C126 HydrophobicContact CB-CB 4.39Å
33K91.2Very high78.4Confident183 Ų18396.3 Ų96.380%0.79650%0.503SS*.Hα-helixtrans-52.3-37.2-175.4-65.9-178179.7-179.70113V36 D37K33-V36 PolarHBondContact O-N 3.32Å; K33-D37 WeakPolarHBondContact O-CB 3.37Å; K33-D37 PolarHBondContact O-N 3.15Å
34K91.1Very high80.6Confident77 Ų7793.7 Ų93.734%0.33548%0.484SS..Hα-helixtrans-63.8-40.7176-64.8-179.7176.8-172.60113H32 V36 D37 H38 E124 L125H32-K34 PolarHBondContact ND1-N 3.34Å; H32-K34 PolarHBondContact O-N 3.41Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-D37 PolarHBondContact O-N 3.07Å; K34-H38 PolarHBondContact O-CD2 3.26Å; K34-H38 VanDerWaalsContact O-CD2 3.26Å; K34-H38 PolarHBondContact O-N 2.87Å; K34-H38 VanDerWaalsContact O-N 3.1Å; K34-E124 WeakPolarHBondContact CD-O 3.48Å; K34-E124 PolarHBondContact NZ-O 3.01Å; K34-E124 IonicContact NZ-OE1 3.36Å; K34-E124 PolarHBondContact NZ-OE1 2.97Å; K34-E124 IonicContact NZ-OE2 2.82Å; K34-L125 HydrophobicContact CB-CD2 4.22Å
35V93.3Very high82.5Confident4 Ų490.1 Ų90.12%0.02447%0.473CS..Hα-helixtrans-64.4-43.9177174.30000110Y31 H32 H38 Y39 A96 L125 L127Y31-V35 HydrophobicContact CD1-CG1 4Å; Y31-V35 HydrophobicContact CG-CG1 4.45Å; H32-V35 HydrophobicContact CB-CG2 4.34Å; H32-V35 WeakPolarHBondContact O-CA 2.81Å; H32-V35 WeakPolarHBondContact O-CB 3.46Å; H32-V35 PolarHBondContact O-N 3.32Å; V35-H38 PolarHBondContact O-N 3.03Å; V35-Y39 VanDerWaalsContact O-CB 3.28Å; V35-Y39 WeakPolarHBondContact O-CB 3.35Å; V35-Y39 PolarHBondContact O-N 3.09Å; V35-A96 HydrophobicContact CB-CB 4.24Å; V35-A96 HydrophobicContact CG1-CB 3.82Å; V35-A96 HydrophobicContact CG2-CB 4.46Å; V35-L125 HydrophobicContact CG2-CB 4Å; V35-L125 HydrophobicContact CG2-CD2 4.25Å; V35-L127 HydrophobicContact CG2-CD2 3.91Å
36V93.2Very high84.6Confident47 Ų4784.7 Ų84.729%0.28545%0.448SS..Hα-helixtrans-61.6-45.3177.4-179.40000110.8H32 K33 K34 H38 Y39 E40H32-V36 PolarHBondContact O-N 3.07Å; H32-V36 VanDerWaalsContact O-N 3.14Å; K33-V36 PolarHBondContact O-N 3.32Å; K34-V36 VanDerWaalsContact C-N 3.34Å; V36-H38 PolarHBondContact O-N 3.25Å; V36-Y39 WeakPolarHBondContact O-CB 3.36Å; V36-Y39 PolarHBondContact O-N 3.28Å; V36-E40 HydrophobicContact CG1-CG 4.13Å; V36-E40 PolarHBondContact O-N 3.02Å
37D94.7Very high86.4Confident62 Ų6281.4 Ų81.433%0.33244%0.435SS..Hα-helixtrans-60.3-46.3179.617468.5000112.7K33 K34 Y39 N41 R43K33-D37 WeakPolarHBondContact O-CB 3.37Å; K33-D37 PolarHBondContact O-N 3.15Å; K34-D37 PolarHBondContact O-N 3.07Å; D37-Y39 VanDerWaalsContact C-N 3.26Å; D37-Y39 PolarHBondContact O-N 2.81Å; D37-N41 PolarHBondContact O-N 3.2Å; D37-R43 VanDerWaalsContact C-NH1 3.34Å; D37-R43 VanDerWaalsContact CG-NH2 3.25Å; D37-R43 PolarHBondContact O-NH1 2.81Å; D37-R43 IonicContact OD1-CZ 3.16Å; D37-R43 IonicContact OD1-NH1 3.87Å; D37-R43 IonicContact OD1-NH2 2.75Å; D37-R43 PolarHBondContact OD1-NH2 3.5Å; D37-R43 IonicContact OD2-CZ 3.98Å; D37-R43 IonicContact OD2-NH1 2.61Å; D37-R43 PolarHBondContact OD2-NH1 3.26Å; D37-R43 IonicContact OD2-NH2 3.89Å; D37-R43 PolarHBondContact OD2-NH2 3.07Å
38H95.1Very high88.3Confident18 Ų1878.4 Ų78.48%0.08341%0.407CS..Hα-helixtrans-70.4-21174.6-74.7-80000114K34 V35 V36 P42 A96 S99 E103K34-H38 PolarHBondContact O-CD2 3.26Å; K34-H38 VanDerWaalsContact O-CD2 3.26Å; K34-H38 PolarHBondContact O-N 2.87Å; K34-H38 VanDerWaalsContact O-N 3.1Å; V35-H38 PolarHBondContact O-N 3.03Å; V36-H38 PolarHBondContact O-N 3.25Å; H38-P42 VanDerWaalsContact O-CA 3.23Å; H38-P42 WeakPolarHBondContact O-CA 3.37Å; H38-P42 WeakPolarHBondContact O-CB 3.21Å; H38-A96 HydrophobicContact CB-CB 3.77Å; H38-S99 PolarHBondContact ND1-OG 3.48Å; H38-E103 IonicContact CE1-OE2 3.94Å; H38-E103 PolarHBondContact CE1-OE2 2.89Å
39Y93.8Very high90.3Very high127 Ų12775.9 Ų75.950%0.49839%0.394SS..Hα-helixtrans-80-45.8175.8175.9-104.2000112.2V35 V36 D37 I95V35-Y39 VanDerWaalsContact O-CB 3.28Å; V35-Y39 WeakPolarHBondContact O-CB 3.35Å; V35-Y39 PolarHBondContact O-N 3.09Å; V36-Y39 WeakPolarHBondContact O-CB 3.36Å; V36-Y39 PolarHBondContact O-N 3.28Å; D37-Y39 VanDerWaalsContact C-N 3.26Å; D37-Y39 PolarHBondContact O-N 2.81Å; Y39-I95 HydrophobicContact CD2-CB 4.19Å; Y39-I95 HydrophobicContact CD2-CD1 3.77Å; Y39-I95 HydrophobicContact CD2-CG2 4.23Å; Y39-I95 HydrophobicContact CE2-CD1 3.58Å
40E93.8Very high91.8Very high132 Ų13275 Ų7562%0.61738%0.375SS*.Hα-helixtrans-74.4-39.5179.7-69.1-178171.100111.8V36 P42V36-E40 HydrophobicContact CG1-CG 4.13Å; V36-E40 PolarHBondContact O-N 3.02Å; E40-P42 VanDerWaalsContact C-CD 3.42Å; E40-P42 WeakPolarHBondContact O-CD 3.21Å
41N94.7Very high92.6Very high93 Ų9378 Ų7850%0.49739%0.385SS..SBendtrans-121.168.2179.8-60.2-67000110.4D37 R43D37-N41 PolarHBondContact O-N 3.2Å; N41-R43 WeakPolarHBondContact O-CD 3.45Å; N41-R43 PolarHBondContact O-N 2.89Å; N41-R43 PolarHBondContact O-NE 3.32Å; N41-R43 VanDerWaalsContact O-NE 3.12Å; N41-R43 PolarHBondContact O-NH1 3.45Å
42P92.9Very high93.2Very high50 Ų5076.8 Ų76.833%0.32538%0.382SS..  trans-67.8127.8-179.228.9-34.8000110.7H38 E40 V45 F86 I95H38-P42 VanDerWaalsContact O-CA 3.23Å; H38-P42 WeakPolarHBondContact O-CA 3.37Å; H38-P42 WeakPolarHBondContact O-CB 3.21Å; E40-P42 VanDerWaalsContact C-CD 3.42Å; E40-P42 WeakPolarHBondContact O-CD 3.21Å; P42-V45 HydrophobicContact CB-CG2 3.56Å; P42-V45 HydrophobicContact CG-CG2 3.65Å; P42-F86 HydrophobicContact CB-CZ 4.1Å; P42-I95 HydrophobicContact CB-CG2 4.45Å
43R94.3Very high93.2Very high70 Ų7079.9 Ų79.926%0.26439%0.394SS..THydrogen-bonded Turntrans-90.9141.4-179.5-66.288.9-175.5169.4-12110.2D37 N41 V45 F86 S99 E103D37-R43 VanDerWaalsContact C-NH1 3.34Å; D37-R43 VanDerWaalsContact CG-NH2 3.25Å; D37-R43 PolarHBondContact O-NH1 2.81Å; D37-R43 IonicContact OD1-CZ 3.16Å; D37-R43 IonicContact OD1-NH1 3.87Å; D37-R43 IonicContact OD1-NH2 2.75Å; D37-R43 PolarHBondContact OD1-NH2 3.5Å; D37-R43 IonicContact OD2-CZ 3.98Å; D37-R43 IonicContact OD2-NH1 2.61Å; D37-R43 PolarHBondContact OD2-NH1 3.26Å; D37-R43 IonicContact OD2-NH2 3.89Å; D37-R43 PolarHBondContact OD2-NH2 3.07Å; N41-R43 WeakPolarHBondContact O-CD 3.45Å; N41-R43 PolarHBondContact O-N 2.89Å; N41-R43 PolarHBondContact O-NE 3.32Å; N41-R43 VanDerWaalsContact O-NE 3.12Å; N41-R43 PolarHBondContact O-NH1 3.45Å; R43-V45 PolarHBondContact O-N 3.29Å; R43-F86 WeakPolarHBondContact O-CE1 3.23Å; R43-S99 PolarHBondContact N-OG 3.1Å; R43-S99 PolarHBondContact O-OG 3.4Å; R43-E103 HydrophobicContact CB-CG 4.14Å; R43-E103 VanDerWaalsContact CB-OE1 3.23Å; R43-E103 WeakPolarHBondContact CB-OE1 3.27Å; R43-E103 WeakPolarHBondContact CD-OE1 3.36Å; R43-E103 WeakPolarHBondContact CG-OE1 3.39Å; R43-E103 IonicContact NE-OE1 3.04Å
44N94.8Very high93.3Very high45 Ų4574 Ų7424%0.24137%0.372CS..THydrogen-bonded Turntrans67.928.3177-57.883.5000115.3G46 A84 K85 F86N44-G46 PolarHBondContact O-N 2.87Å; N44-A84 WeakPolarHBondContact CB-O 3.44Å; N44-A84 PolarHBondContact ND2-O 2.77Å; N44-K85 VanDerWaalsContact O-CA 3.24Å; N44-K85 WeakPolarHBondContact O-CA 3.04Å; N44-F86 PolarHBondContact O-N 2.83Å
45V95.8Very high93.5Very high86 Ų8670.4 Ų70.452%0.52136%0.356SS..BIsolated β-bridgetrans-67.2130.4171.3-176.80000110.1P42 R43 F86P42-V45 HydrophobicContact CB-CG2 3.56Å; P42-V45 HydrophobicContact CG-CG2 3.65Å; R43-V45 PolarHBondContact O-N 3.29Å; V45-F86 HydrophobicContact CG2-CE1 3.79Å; V45-F86 HydrophobicContact CG2-CZ 3.9Å
46G95.4Very high93.7Very high16 Ų1670.2 Ų70.217%0.16536%0.355CS..SBendtrans154.3-160.7173.900000113N44 F86 K87N44-G46 PolarHBondContact O-N 2.87Å; G46-F86 PolarHBondContact N-O 2.81Å; G46-F86 CarbonylContact O-C 3.56Å; G46-K87 WeakPolarHBondContact O-CG 3.24Å
47S95.3Very high93.8Very high56 Ų5669.1 Ų69.139%0.39235%0.348SS..  trans-142.6152.5176.845.10000111Q72 K87S47-Q72 VanDerWaalsContact CA-OE1 3.29Å; S47-Q72 VanDerWaalsContact CB-OE1 3.27Å; S47-K87 PolarHBondContact OG-NZ 3.41Å
48L94.8Very high93.9Very high21 Ų2166.2 Ų66.211%0.1133%0.333CS..  trans-108.1160.8172.9-62.6172.3000109.6K50 V55 Q72 Q74 K85L48-K50 PolarHBondContact O-N 2.91Å; L48-V55 HydrophobicContact CB-CG1 3.94Å; L48-V55 HydrophobicContact CB-CG2 4.4Å; L48-V55 HydrophobicContact CD1-CG1 4.39Å; L48-Q72 HydrophobicContact CB-CB 4.16Å; L48-Q72 HydrophobicContact CD1-CB 4.08Å; L48-Q72 HydrophobicContact CG-CB 4.33Å; L48-Q72 PolarHBondContact O-NE2 2.95Å; L48-Q72 PolarHBondContact O-OE1 2.98Å; L48-Q74 HydrophobicContact CD1-CB 3.99Å; L48-K85 HydrophobicContact CD2-CD 3.85Å; L48-K85 HydrophobicContact CD2-CG 4.17Å; L48-K85 HydrophobicContact CG-CB 4.28Å; L48-K85 HydrophobicContact CG-CD 4.07Å; L48-K85 HydrophobicContact CG-CG 4.07Å
49D93.5Very high93.9Very high79 Ų7971.1 Ų71.142%0.42236%0.359SS..  trans-69.1118.7176.5-175.1-0.4000110.4N51 K52 V55D49-N51 VanDerWaalsContact C-N 3.25Å; D49-N51 PolarHBondContact O-N 2.77Å; D49-N51 WeakPolarHBondContact OD1-CB 3.48Å; D49-N51 PolarHBondContact OD1-N 2.82Å; D49-N51 PolarHBondContact OD1-ND2 2.76Å; D49-K52 HydrophobicContact CB-CD 4.06Å; D49-K52 HydrophobicContact CB-CG 4.01Å; D49-V55 WeakPolarHBondContact O-CB 3.34Å; D49-V55 WeakPolarHBondContact O-CG1 3.3Å
50K89.1Confident94Very high117 Ų11766.2 Ų66.251%0.50934%0.342SS..THydrogen-bonded Turntrans-70.2-24.1-176.8-64.5179.7179.5-175.30112.8L48 K52 K70 K152L48-K50 PolarHBondContact O-N 2.91Å; K50-K52 VanDerWaalsContact C-N 3.29Å; K50-K70 VanDerWaalsContact CE-NZ 3.28Å; K50-K152 PolarHBondContact O-NZ 2.95Å
51N88.5Confident94Very high148 Ų14862.2 Ų62.279%0.79134%0.337SS*.THydrogen-bonded Turntrans-79.5-15.5-175.2-59.7-35.3000112.2D49 K53D49-N51 VanDerWaalsContact C-N 3.25Å; D49-N51 PolarHBondContact O-N 2.77Å; D49-N51 WeakPolarHBondContact OD1-CB 3.48Å; D49-N51 PolarHBondContact OD1-N 2.82Å; D49-N51 PolarHBondContact OD1-ND2 2.76Å; N51-K53 PolarHBondContact O-N 2.86Å
52K92.2Very high93.7Very high104 Ų10459.8 Ų59.845%0.45233%0.33SS..  trans-69.7131.2176.3-69.6-176-179-175.30110.1D49 K50 N54 V55D49-K52 HydrophobicContact CB-CD 4.06Å; D49-K52 HydrophobicContact CB-CG 4.01Å; K50-K52 VanDerWaalsContact C-N 3.29Å; K52-N54 PolarHBondContact O-N 3.32Å; K52-V55 HydrophobicContact CB-CB 4.14Å; K52-V55 HydrophobicContact CB-CG2 3.71Å; K52-V55 HydrophobicContact CD-CG2 4.29Å; K52-V55 PolarHBondContact O-N 3.18Å; K52-V55 VanDerWaalsContact O-N 3.07Å
53K89.9Confident93.4Very high142 Ų14262.8 Ų62.862%0.61735%0.349SS*.THydrogen-bonded Turntrans-60.6-32.9177.5-60.9-174.3178.3-172.70112.8N51 V55 Q153N51-K53 PolarHBondContact O-N 2.86Å; K53-V55 PolarHBondContact O-N 3.38Å; K53-Q153 PolarHBondContact O-NE2 3.1Å; K53-Q153 VanDerWaalsContact O-NE2 3.15Å
54N93.8Very high93.1Very high61 Ų6164.4 Ų64.433%0.32638%0.377SS..THydrogen-bonded Turntrans-811.7-178.9-66.715.1000112.8K52 Q74 V75K52-N54 PolarHBondContact O-N 3.32Å; N54-Q74 WeakPolarHBondContact O-CA 3.48Å; N54-V75 WeakPolarHBondContact CB-O 3.33Å; N54-V75 PolarHBondContact O-N 2.76Å
55V95.9Very high92.4Very high0 Ų067.1 Ų67.10%040%0.399CS..EExtended strand (participates in β ladder)trans-111.3118.4-177.6176.80000110.7L48 D49 K52 K53 Q72 I73 Q74 K152L48-V55 HydrophobicContact CB-CG1 3.94Å; L48-V55 HydrophobicContact CB-CG2 4.4Å; L48-V55 HydrophobicContact CD1-CG1 4.39Å; D49-V55 WeakPolarHBondContact O-CB 3.34Å; D49-V55 WeakPolarHBondContact O-CG1 3.3Å; K52-V55 HydrophobicContact CB-CB 4.14Å; K52-V55 HydrophobicContact CB-CG2 3.71Å; K52-V55 HydrophobicContact CD-CG2 4.29Å; K52-V55 PolarHBondContact O-N 3.18Å; K52-V55 VanDerWaalsContact O-N 3.07Å; K53-V55 PolarHBondContact O-N 3.38Å; V55-Q72 HydrophobicContact CG1-CB 4.48Å; V55-I73 CarbonylContact C-O 3.57Å; V55-I73 WeakPolarHBondContact CA-O 3.39Å; V55-Q74 HydrophobicContact CG2-CB 4.19Å; V55-Q74 HydrophobicContact CG2-CG 4.17Å; V55-K152 PolarHBondContact O-NZ 2.81Å
56G96Very high91.9Very high0 Ų064.4 Ų64.40%039%0.388CS..EExtended strand (participates in β ladder)trans-91136.6168.300000110.8Q72 I73 A145 D148G56-Q72 CarbonylContact O-C 3.52Å; G56-Q72 VanDerWaalsContact O-CA 3.26Å; G56-Q72 WeakPolarHBondContact O-CA 3.46Å; G56-I73 PolarHBondContact N-O 3.43Å; G56-I73 PolarHBondContact O-N 3.2Å; G56-A145 WeakPolarHBondContact CA-O 3.48Å; G56-D148 WeakPolarHBondContact CA-OD2 3.3Å
57T96.6Very high91.7Very high25 Ų2564.7 Ų64.715%0.15339%0.386CS..EExtended strand (participates in β ladder)trans-124.2115.6178.1-61.90000110.5K70 Q72 D148T57-K70 HydrophobicContact CG2-CG 4.43Å; T57-Q72 HydrophobicContact CG2-CG 3.95Å; T57-Q72 PolarHBondContact OG1-NE2 2.84Å; T57-D148 PolarHBondContact N-OD2 3.4Å; T57-D148 WeakPolarHBondContact O-CB 3.42Å
58G96.3Very high91.7Very high1 Ų163.7 Ų63.71%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-101.4125.8169.600000110.1K70 L71G58-K70 CarbonylContact O-C 3.56Å; G58-K70 WeakPolarHBondContact O-CA 3.26Å; G58-L71 PolarHBondContact N-O 2.94Å; G58-L71 PolarHBondContact O-N 3.04Å
59L95.6Very high91.7Very high121 Ų12162.8 Ų62.863%0.63437%0.372SS*.EExtended strand (participates in β ladder)trans-119.4117.7167.8-178.670000107.5V68 K70L59-V68 HydrophobicContact CD1-CG1 4.01Å; L59-K70 HydrophobicContact CD1-CB 3.81Å; L59-K70 HydrophobicContact CD1-CG 4.2Å
60V95.4Very high91.8Very high24 Ų2460.9 Ų60.915%0.14536%0.36CS..EExtended strand (participates in β ladder)trans-134.6160.4-176.7-63.40000110.6M69 L137 D140 A141 A144V60-M69 HydrophobicContact CG2-CB 4.11Å; V60-M69 PolarHBondContact N-O 2.75Å; V60-M69 PolarHBondContact O-N 3.07Å; V60-L137 HydrophobicContact CB-CD1 4.19Å; V60-L137 HydrophobicContact CG2-CD1 3.65Å; V60-L137 HydrophobicContact CG2-CG 4.2Å; V60-D140 HydrophobicContact CG1-CB 4.37Å; V60-A141 HydrophobicContact CG2-CB 3.53Å; V60-A144 HydrophobicContact CG1-CB 3.8Å
61G92.4Very high92.2Very high48 Ų4855.3 Ų55.350%0.49534%0.336SS..EExtended strand (participates in β ladder)trans94.9171.7-176.400000113D67G61-D67 CarbonylContact C-O 3.54Å; G61-D67 WeakPolarHBondContact CA-O 3.37Å
62A88.7Confident92.6Very high42 Ų4248.3 Ų48.335%0.34730%0.299SS..EExtended strand (participates in β ladder)trans-133.1131.5-175.300000109.5A64 C65 G66 D67A62-A64 PolarHBondContact O-N 2.97Å; A62-A64 VanDerWaalsContact O-N 3.11Å; A62-C65 PolarHBondContact O-N 3.15Å; A62-G66 PolarHBondContact O-N 3.4Å; A62-D67 PolarHBondContact N-O 3.12Å; A62-D67 VanDerWaalsContact N-O 3.08Å
63P86.8Confident92.8Very high112 Ų11243.5 Ų43.573%0.72728%0.278SS*.G310 helixtrans-55.6-31.8177.6-26.534000113.5C65 G66 V68P63-C65 VanDerWaalsContact C-N 3.26Å; P63-C65 PolarHBondContact O-N 2.99Å; P63-G66 PolarHBondContact O-N 2.97Å; P63-G66 VanDerWaalsContact O-N 3.14Å; P63-V68 HydrophobicContact CG-CG2 4.1Å
64A87.5Confident93.1Very high104 Ų10439 Ų3986%0.8626%0.259SS*.G310 helixtrans-63.7-29.4177.600000113.4A62A62-A64 PolarHBondContact O-N 2.97Å; A62-A64 VanDerWaalsContact O-N 3.11Å
65C80.1Confident93.2Very high103 Ų10336.1 Ų36.170%0.69624%0.244SC*.G310 helixtrans-87.6-8.1177.9-61.50000112.7A62 P63 D67A62-C65 PolarHBondContact O-N 3.15Å; P63-C65 VanDerWaalsContact C-N 3.26Å; P63-C65 PolarHBondContact O-N 2.99Å; C65-D67 PolarHBondContact O-N 3.38Å
66G86.3Confident93.1Very high29 Ų2939 Ų3930%0.29926%0.259SS..THydrogen-bonded Turntrans79.8-1.6-178.500000115A62 P63 F89 G90A62-G66 PolarHBondContact O-N 3.4Å; P63-G66 PolarHBondContact O-N 2.97Å; P63-G66 VanDerWaalsContact O-N 3.14Å; G66-F89 WeakPolarHBondContact O-CD1 3.35Å; G66-F89 WeakPolarHBondContact O-CE1 3.41Å; G66-G90 WeakPolarHBondContact O-CA 3.43Å
67D91.2Very high92.8Very high22 Ų2247.7 Ų47.712%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-121.1120.5178.4-66.4-35.6000111G61 A62 C65 F89 G90 C91 H133 L137G61-D67 CarbonylContact C-O 3.54Å; G61-D67 WeakPolarHBondContact CA-O 3.37Å; A62-D67 PolarHBondContact N-O 3.12Å; A62-D67 VanDerWaalsContact N-O 3.08Å; C65-D67 PolarHBondContact O-N 3.38Å; D67-F89 CarbonylContact C-O 3.52Å; D67-F89 VanDerWaalsContact CA-O 3.29Å; D67-F89 WeakPolarHBondContact CA-O 3.4Å; D67-G90 WeakPolarHBondContact OD1-CA 3.47Å; D67-C91 PolarHBondContact OD1-N 3.43Å; D67-H133 IonicContact OD2-CD2 2.97Å; D67-H133 PolarHBondContact OD2-CD2 3.35Å; D67-H133 VanDerWaalsContact OD2-CD2 3.28Å; D67-H133 IonicContact OD2-NE2 3.47Å; D67-H133 PolarHBondContact OD2-NE2 3.36Å; D67-L137 HydrophobicContact CB-CD2 3.9Å
68V94.4Very high92.4Very high35 Ų3552.8 Ų52.821%0.21233%0.326CS..EExtended strand (participates in β ladder)trans-139.1122.2176.4-179.20000108.9L59 P63 T88 F89L59-V68 HydrophobicContact CD1-CG1 4.01Å; P63-V68 HydrophobicContact CG-CG2 4.1Å; V68-T88 CarbonylContact O-C 3.53Å; V68-T88 WeakPolarHBondContact O-CA 3.17Å; V68-T88 PolarHBondContact O-OG1 3.18Å; V68-F89 PolarHBondContact N-O 2.93Å; V68-F89 PolarHBondContact O-N 3.35Å
69M95.4Very high92.1Very high1 Ų154 Ų541%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-121.1128.7-178.3180176.3170.600110.7V60 L71 S98 L137 A138 A141V60-M69 HydrophobicContact CG2-CB 4.11Å; V60-M69 PolarHBondContact N-O 2.75Å; V60-M69 PolarHBondContact O-N 3.07Å; M69-L71 HydrophobicContact CE-CB 3.97Å; M69-L71 HydrophobicContact CE-CD1 3.47Å; M69-L71 VanDerWaalsContact CE-CD1 3.47Å; M69-L71 HydrophobicContact CE-CG 4.33Å; M69-S98 WeakPolarHBondContact CE-OG 3.25Å; M69-S98 PolarHBondContact SD-OG 3.41Å; M69-L137 HydrophobicContact CB-CD2 3.92Å; M69-L137 HydrophobicContact CB-CG 4.05Å; M69-A138 HydrophobicContact SD-CB 4.39Å; M69-A141 HydrophobicContact CE-CB 3.6Å; M69-A141 HydrophobicContact CG-CB 4.02Å; M69-A141 HydrophobicContact SD-CB 3.61Å
70K96.1Very high92.1Very high39 Ų3953.9 Ų53.917%0.1733%0.333CS..EExtended strand (participates in β ladder)trans-111.5117.3169.2-171-172176.9-147.60109.2K50 T57 G58 L59 F86 K87K50-K70 VanDerWaalsContact CE-NZ 3.28Å; T57-K70 HydrophobicContact CG2-CG 4.43Å; G58-K70 CarbonylContact O-C 3.56Å; G58-K70 WeakPolarHBondContact O-CA 3.26Å; L59-K70 HydrophobicContact CD1-CB 3.81Å; L59-K70 HydrophobicContact CD1-CG 4.2Å; K70-F86 CarbonylContact O-C 3.55Å; K70-F86 VanDerWaalsContact O-CA 3.25Å; K70-F86 WeakPolarHBondContact O-CA 3.23Å; K70-K87 WeakPolarHBondContact CA-O 3.4Å; K70-K87 PolarHBondContact N-O 3.36Å; K70-K87 PolarHBondContact O-N 2.71Å; K70-K87 VanDerWaalsContact O-O 3.12Å
71L96.9Very high92.1Very high0 Ų052.8 Ų52.80%033%0.326CS..EExtended strand (participates in β ladder)trans-118.1132.2175.9-174.1144.8000109.5G58 M69 I73 T102 A141 I142 A145G58-L71 PolarHBondContact N-O 2.94Å; G58-L71 PolarHBondContact O-N 3.04Å; M69-L71 HydrophobicContact CE-CB 3.97Å; M69-L71 HydrophobicContact CE-CD1 3.47Å; M69-L71 VanDerWaalsContact CE-CD1 3.47Å; M69-L71 HydrophobicContact CE-CG 4.33Å; L71-I73 HydrophobicContact CD2-CG2 3.6Å; L71-T102 HydrophobicContact CD1-CG2 3.92Å; L71-T102 HydrophobicContact CG-CG2 4.36Å; L71-A141 HydrophobicContact CB-CB 4.02Å; L71-I142 HydrophobicContact CD1-CG1 4.19Å; L71-A145 HydrophobicContact CD2-CB 3.61Å
72Q97.1Very high92.3Very high2 Ų253.8 Ų53.81%0.00932%0.322CS..EExtended strand (participates in β ladder)trans-125131.8178.3-60.6-175.1-82.300109S47 L48 V55 G56 T57 A84 K85S47-Q72 VanDerWaalsContact CA-OE1 3.29Å; S47-Q72 VanDerWaalsContact CB-OE1 3.27Å; L48-Q72 HydrophobicContact CB-CB 4.16Å; L48-Q72 HydrophobicContact CD1-CB 4.08Å; L48-Q72 HydrophobicContact CG-CB 4.33Å; L48-Q72 PolarHBondContact O-NE2 2.95Å; L48-Q72 PolarHBondContact O-OE1 2.98Å; V55-Q72 HydrophobicContact CG1-CB 4.48Å; G56-Q72 CarbonylContact O-C 3.52Å; G56-Q72 VanDerWaalsContact O-CA 3.26Å; G56-Q72 WeakPolarHBondContact O-CA 3.46Å; T57-Q72 HydrophobicContact CG2-CG 3.95Å; T57-Q72 PolarHBondContact OG1-NE2 2.84Å; Q72-A84 CarbonylContact O-C 3.59Å; Q72-A84 VanDerWaalsContact O-CA 3.3Å; Q72-A84 WeakPolarHBondContact O-CA 3.15Å; Q72-K85 PolarHBondContact N-O 2.87Å; Q72-K85 PolarHBondContact O-N 2.89Å
73I96.9Very high92.6Very high2 Ų254.9 Ų54.91%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-119.2142.9177.158.8179.5000109.3V55 G56 L71 V75 I81 E83 A84 V105 A145 L146V55-I73 CarbonylContact C-O 3.57Å; V55-I73 WeakPolarHBondContact CA-O 3.39Å; G56-I73 PolarHBondContact N-O 3.43Å; G56-I73 PolarHBondContact O-N 3.2Å; L71-I73 HydrophobicContact CD2-CG2 3.6Å; I73-V75 HydrophobicContact CD1-CG2 4.45Å; I73-I81 HydrophobicContact CB-CG2 4.14Å; I73-I81 HydrophobicContact CD1-CD1 4.43Å; I73-I81 HydrophobicContact CG2-CG2 4.29Å; I73-E83 CarbonylContact C-O 3.55Å; I73-E83 WeakPolarHBondContact CA-O 3.34Å; I73-A84 HydrophobicContact CG2-CB 4.18Å; I73-V105 HydrophobicContact CG2-CG2 4.37Å; I73-A145 HydrophobicContact CD1-CB 4.17Å; I73-A145 HydrophobicContact CG1-CB 4.17Å; I73-L146 HydrophobicContact CD1-CD2 3.27Å; I73-L146 HydrophobicContact CD1-CG 3.81Å
74Q96.2Very high93Very high48 Ų4849.6 Ų49.622%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-111.2125.7169.4-175.4172.6-27.400108.8L48 N54 V55 I81 V82 E83L48-Q74 HydrophobicContact CD1-CB 3.99Å; N54-Q74 WeakPolarHBondContact O-CA 3.48Å; V55-Q74 HydrophobicContact CG2-CB 4.19Å; V55-Q74 HydrophobicContact CG2-CG 4.17Å; Q74-I81 CarbonylContact O-C 3.55Å; Q74-I81 WeakPolarHBondContact O-CA 3.45Å; Q74-V82 HydrophobicContact CB-CG2 4.06Å; Q74-V82 HydrophobicContact CG-CG2 3.81Å; Q74-V82 WeakPolarHBondContact O-CG2 3.49Å; Q74-V82 PolarHBondContact O-N 3.43Å; Q74-E83 HydrophobicContact CB-CB 4.22Å; Q74-E83 PolarHBondContact N-O 3.36Å
75V95.8Very high93.5Very high1 Ų147.2 Ų47.21%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-107.3138-179.2-169.10000109.1N54 I73 K80 I81 V110 Y149N54-V75 WeakPolarHBondContact CB-O 3.33Å; N54-V75 PolarHBondContact O-N 2.76Å; I73-V75 HydrophobicContact CD1-CG2 4.45Å; V75-K80 CarbonylContact C-O 3.54Å; V75-K80 WeakPolarHBondContact CA-O 3.47Å; V75-I81 HydrophobicContact CG2-CG1 4.33Å; V75-V110 HydrophobicContact CG1-CG2 4.01Å; V75-V110 HydrophobicContact CG2-CG2 4.27Å; V75-Y149 HydrophobicContact CB-CD2 4.23Å; V75-Y149 HydrophobicContact CB-CE1 4.25Å; V75-Y149 HydrophobicContact CB-CE2 3.67Å; V75-Y149 HydrophobicContact CG1-CE1 4.13Å; V75-Y149 HydrophobicContact CG1-CE2 4.28Å; V75-Y149 HydrophobicContact CG2-CD1 4.12Å; V75-Y149 HydrophobicContact CG2-CD2 3.89Å; V75-Y149 HydrophobicContact CG2-CE1 4.08Å; V75-Y149 HydrophobicContact CG2-CE2 3.84Å; V75-Y149 HydrophobicContact CG2-CG 4.03Å
76D94.3Very high94.3Very high61 Ų6142.6 Ų42.633%0.32622%0.224SC..  trans-83.4169.4173.9-172.534.3000111.7N78 G79 K80 V82D76-N78 PolarHBondContact O-N 3.32Å; D76-N78 VanDerWaalsContact O-N 3.13Å; D76-N78 PolarHBondContact OD2-ND2 3.34Å; D76-G79 PolarHBondContact O-N 3.12Å; D76-K80 PolarHBondContact N-O 3Å; D76-V82 HydrophobicContact CB-CG1 3.7Å
77E89.3Confident94.8Very high181 Ų18146.2 Ų46.285%0.84623%0.232SC*.THydrogen-bonded Turntrans-58.8-27178.3-60.8-175.9173.700112.7G79E77-G79 PolarHBondContact O-N 3.48Å
78N88.7Confident94.9Very high133 Ų13346.7 Ų46.771%0.71124%0.235SC*.THydrogen-bonded Turntrans-77.31.9175.5-61.2-64.1000114.2D76 K80D76-N78 PolarHBondContact O-N 3.32Å; D76-N78 VanDerWaalsContact O-N 3.13Å; D76-N78 PolarHBondContact OD2-ND2 3.34Å; N78-K80 VanDerWaalsContact C-N 3.32Å; N78-K80 PolarHBondContact O-N 3.22Å
79G88.6Confident94.9Very high25 Ų2551.9 Ų51.926%0.25826%0.255SS..SBendtrans74.717.8-178.300000114.6D76 E77 V110D76-G79 PolarHBondContact O-N 3.12Å; E77-G79 PolarHBondContact O-N 3.48Å; G79-V110 PolarHBondContact O-N 3.46Å
80K95.4Very high94.8Very high120 Ų12053 Ų5352%0.52227%0.267SS..BIsolated β-bridgetrans-101.9142.6176.3-68.2-169.1179.2-168.60111.7V75 D76 N78 V82V75-K80 CarbonylContact C-O 3.54Å; V75-K80 WeakPolarHBondContact CA-O 3.47Å; D76-K80 PolarHBondContact N-O 3Å; N78-K80 VanDerWaalsContact C-N 3.32Å; N78-K80 PolarHBondContact O-N 3.22Å; K80-V82 PolarHBondContact O-N 3.24Å
81I96.2Very high94.6Very high1 Ų152.7 Ų52.71%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-79.2109.7177.6-58.9169.3000108.7I73 Q74 V75 V105 G107 K108 A113 L146I73-I81 HydrophobicContact CB-CG2 4.14Å; I73-I81 HydrophobicContact CD1-CD1 4.43Å; I73-I81 HydrophobicContact CG2-CG2 4.29Å; Q74-I81 CarbonylContact O-C 3.55Å; Q74-I81 WeakPolarHBondContact O-CA 3.45Å; V75-I81 HydrophobicContact CG2-CG1 4.33Å; I81-V105 WeakPolarHBondContact CB-O 3.43Å; I81-V105 HydrophobicContact CD1-CB 4.1Å; I81-G107 WeakPolarHBondContact O-CA 3.35Å; I81-G107 PolarHBondContact O-N 3.21Å; I81-K108 PolarHBondContact N-O 3.47Å; I81-A113 HydrophobicContact CD1-CB 3.67Å; I81-L146 HydrophobicContact CD1-CD2 4.19Å
82V95.9Very high94.3Very high69 Ų6953.4 Ų53.442%0.41828%0.277SS..EExtended strand (participates in β ladder)trans-85.1-35.4-179.3-73.10000112.5Q74 D76 K80 K106Q74-V82 HydrophobicContact CB-CG2 4.06Å; Q74-V82 HydrophobicContact CG-CG2 3.81Å; Q74-V82 WeakPolarHBondContact O-CG2 3.49Å; Q74-V82 PolarHBondContact O-N 3.43Å; D76-V82 HydrophobicContact CB-CG1 3.7Å; K80-V82 PolarHBondContact O-N 3.24Å; V82-K106 WeakPolarHBondContact O-CE 3.45Å
83E95.3Very high94.1Very high65 Ų6553.4 Ų53.430%0.30428%0.277SS..EExtended strand (participates in β ladder)trans-142.8141.7-177.8-163.2171.4-167.800109.8I73 Q74 K85I73-E83 CarbonylContact C-O 3.55Å; I73-E83 WeakPolarHBondContact CA-O 3.34Å; Q74-E83 HydrophobicContact CB-CB 4.22Å; Q74-E83 PolarHBondContact N-O 3.36Å; E83-K85 WeakPolarHBondContact OE1-CE 3.16Å; E83-K85 IonicContact OE1-NZ 2.67Å; E83-K85 PolarHBondContact OE1-NZ 3.4Å
84A96.5Very high94Very high0 Ų053.4 Ų53.40%028%0.277CS..EExtended strand (participates in β ladder)trans-131.9139.2169.900000107.6N44 Q72 I73 T102 V105N44-A84 WeakPolarHBondContact CB-O 3.44Å; N44-A84 PolarHBondContact ND2-O 2.77Å; Q72-A84 CarbonylContact O-C 3.59Å; Q72-A84 VanDerWaalsContact O-CA 3.3Å; Q72-A84 WeakPolarHBondContact O-CA 3.15Å; I73-A84 HydrophobicContact CG2-CB 4.18Å; A84-T102 HydrophobicContact CB-CG2 4.2Å; A84-V105 HydrophobicContact CB-CG2 3.51Å
85K97Very high93.9Very high55 Ų5552.6 Ų52.624%0.23927%0.274CS..EExtended strand (participates in β ladder)trans-133.7148.1173.6-63.3-165.8-176.7177.60110.2N44 L48 Q72 E83N44-K85 VanDerWaalsContact O-CA 3.24Å; N44-K85 WeakPolarHBondContact O-CA 3.04Å; L48-K85 HydrophobicContact CD2-CD 3.85Å; L48-K85 HydrophobicContact CD2-CG 4.17Å; L48-K85 HydrophobicContact CG-CB 4.28Å; L48-K85 HydrophobicContact CG-CD 4.07Å; L48-K85 HydrophobicContact CG-CG 4.07Å; Q72-K85 PolarHBondContact N-O 2.87Å; Q72-K85 PolarHBondContact O-N 2.89Å; E83-K85 WeakPolarHBondContact OE1-CE 3.16Å; E83-K85 IonicContact OE1-NZ 2.67Å; E83-K85 PolarHBondContact OE1-NZ 3.4Å
86F97.3Very high93.9Very high5 Ų552.6 Ų52.62%0.02227%0.274CS..EExtended strand (participates in β ladder)trans-132.9157.6175.682.1-73.4000112.9P42 R43 N44 V45 G46 K70 T88 S98 T102P42-F86 HydrophobicContact CB-CZ 4.1Å; R43-F86 WeakPolarHBondContact O-CE1 3.23Å; N44-F86 PolarHBondContact O-N 2.83Å; V45-F86 HydrophobicContact CG2-CE1 3.79Å; V45-F86 HydrophobicContact CG2-CZ 3.9Å; G46-F86 PolarHBondContact N-O 2.81Å; G46-F86 CarbonylContact O-C 3.56Å; K70-F86 CarbonylContact O-C 3.55Å; K70-F86 VanDerWaalsContact O-CA 3.25Å; K70-F86 WeakPolarHBondContact O-CA 3.23Å; F86-T88 HydrophobicContact CD2-CG2 3.95Å; F86-T88 HydrophobicContact CE2-CG2 3.61Å; F86-S98 VanDerWaalsContact CE2-CB 3.49Å; F86-T102 HydrophobicContact CB-CG2 3.73Å; F86-T102 HydrophobicContact CD1-CG2 3.84Å; F86-T102 HydrophobicContact CG-CG2 4.1Å
87K95.9Very high94Very high106 Ų10649.7 Ų49.746%0.46126%0.258SS..EExtended strand (participates in β ladder)trans-135.7130.2161.2-66.2-175.2177.7-179.10106.9G46 S47 K70G46-K87 WeakPolarHBondContact O-CG 3.24Å; S47-K87 PolarHBondContact OG-NZ 3.41Å; K70-K87 WeakPolarHBondContact CA-O 3.4Å; K70-K87 PolarHBondContact N-O 3.36Å; K70-K87 PolarHBondContact O-N 2.71Å; K70-K87 VanDerWaalsContact O-O 3.12Å
88T94.9Very high94.3Very high32 Ų3241.1 Ų41.120%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-137.1145.6-179.6-163.40000109.7V68 F86 I95 S98V68-T88 CarbonylContact O-C 3.53Å; V68-T88 WeakPolarHBondContact O-CA 3.17Å; V68-T88 PolarHBondContact O-OG1 3.18Å; F86-T88 HydrophobicContact CD2-CG2 3.95Å; F86-T88 HydrophobicContact CE2-CG2 3.61Å; T88-I95 HydrophobicContact CG2-CB 4.09Å; T88-I95 HydrophobicContact CG2-CG1 3.52Å; T88-S98 PolarHBondContact OG1-OG 2.86Å
89F94.1Very high94.6Very high144 Ų14434.8 Ų34.863%0.63219%0.185SC*.EExtended strand (participates in β ladder)trans-119123.9171.2177.5-96.4000106.2G66 D67 V68G66-F89 WeakPolarHBondContact O-CD1 3.35Å; G66-F89 WeakPolarHBondContact O-CE1 3.41Å; D67-F89 CarbonylContact C-O 3.52Å; D67-F89 VanDerWaalsContact CA-O 3.29Å; D67-F89 WeakPolarHBondContact CA-O 3.4Å; V68-F89 PolarHBondContact N-O 2.93Å; V68-F89 PolarHBondContact O-N 3.35Å
90G91.9Very high95Very high24 Ų2433.9 Ų33.925%0.24717%0.174CC..SBendtrans163.2-173.6-175.500000112.2G66 D67G66-G90 WeakPolarHBondContact O-CA 3.43Å; D67-G90 WeakPolarHBondContact OD1-CA 3.47Å
91C92.4Very high95Very high32 Ų3228.1 Ų28.122%0.21615%0.149CC..  trans-67.7163.6177.468.10000112.4D67 S93 A94 I95 C134D67-C91 PolarHBondContact OD1-N 3.43Å; C91-S93 PolarHBondContact O-N 3.07Å; C91-S93 VanDerWaalsContact O-N 3.09Å; C91-A94 WeakPolarHBondContact O-CA 3.5Å; C91-A94 VanDerWaalsContact O-CB 3.3Å; C91-A94 WeakPolarHBondContact O-CB 3.46Å; C91-A94 PolarHBondContact O-N 3.03Å; C91-I95 PolarHBondContact O-N 2.93Å; C91-I95 VanDerWaalsContact O-N 3.12Å; C91-C134 VanDerWaalsContact SG-SG 3.63Å
92G91.8Very high95Very high15 Ų1528.1 Ų28.116%0.15515%0.149CC..Hα-helixtrans-54.9-32.6-179.300000113.9I95 A96G92-I95 PolarHBondContact O-N 3.22Å; G92-A96 WeakPolarHBondContact O-CB 3.5Å; G92-A96 PolarHBondContact O-N 3.28Å
93S92.8Very high95Very high3 Ų328.2 Ų28.22%0.02115%0.145CC..Hα-helixtrans-67-33.9173.9-55.10000113.1C91 S97C91-S93 PolarHBondContact O-N 3.07Å; C91-S93 VanDerWaalsContact O-N 3.09Å; S93-S97 VanDerWaalsContact O-CB 3.31Å; S93-S97 WeakPolarHBondContact O-CB 3.38Å; S93-S97 PolarHBondContact O-N 3.35Å; S93-S97 PolarHBondContact O-OG 3Å
94A93.9Very high95Very high1 Ų128.2 Ų28.21%0.00814%0.142CC..Hα-helixtrans-68.2-45173.900000110.2C91 A96 S97 S98 C134C91-A94 WeakPolarHBondContact O-CA 3.5Å; C91-A94 VanDerWaalsContact O-CB 3.3Å; C91-A94 WeakPolarHBondContact O-CB 3.46Å; C91-A94 PolarHBondContact O-N 3.03Å; A94-A96 PolarHBondContact O-N 3.45Å; A94-S97 PolarHBondContact O-N 2.91Å; A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.31Å; A94-S98 PolarHBondContact O-OG 2.99Å; A94-C134 HydrophobicContact CB-CB 4.38Å
95I95.2Very high95Very high32 Ų3228.2 Ų28.216%0.16414%0.142CC..Hα-helixtrans-58.7-47.1175.3-64.4161.6000111.3Y39 P42 T88 C91 G92 S97 S98 S99Y39-I95 HydrophobicContact CD2-CB 4.19Å; Y39-I95 HydrophobicContact CD2-CD1 3.77Å; Y39-I95 HydrophobicContact CD2-CG2 4.23Å; Y39-I95 HydrophobicContact CE2-CD1 3.58Å; P42-I95 HydrophobicContact CB-CG2 4.45Å; T88-I95 HydrophobicContact CG2-CB 4.09Å; T88-I95 HydrophobicContact CG2-CG1 3.52Å; C91-I95 PolarHBondContact O-N 2.93Å; C91-I95 VanDerWaalsContact O-N 3.12Å; G92-I95 PolarHBondContact O-N 3.22Å; I95-S97 PolarHBondContact O-N 2.84Å; I95-S98 PolarHBondContact O-N 3.26Å; I95-S99 PolarHBondContact O-N 3.03Å
96A95.6Very high94.9Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-62.1-44.4177.800000112.5V35 H38 G92 A94 S98 S99 L100 L125V35-A96 HydrophobicContact CB-CB 4.24Å; V35-A96 HydrophobicContact CG1-CB 3.82Å; V35-A96 HydrophobicContact CG2-CB 4.46Å; H38-A96 HydrophobicContact CB-CB 3.77Å; G92-A96 WeakPolarHBondContact O-CB 3.5Å; G92-A96 PolarHBondContact O-N 3.28Å; A94-A96 PolarHBondContact O-N 3.45Å; A96-S98 VanDerWaalsContact C-N 3.35Å; A96-S98 PolarHBondContact O-N 2.8Å; A96-S99 PolarHBondContact O-N 2.87Å; A96-L100 WeakPolarHBondContact O-CB 3.26Å; A96-L100 PolarHBondContact O-N 2.79Å; A96-L125 HydrophobicContact CB-CD1 4.18Å; A96-L125 HydrophobicContact CB-CD2 4.41Å
97S95.3Very high94.7Very high0 Ų033.1 Ų33.10%018%0.178CC..Hα-helixtrans-61.6-42.7177.2-580000111.7S93 A94 I95 A101S93-S97 VanDerWaalsContact O-CB 3.31Å; S93-S97 WeakPolarHBondContact O-CB 3.38Å; S93-S97 PolarHBondContact O-N 3.35Å; S93-S97 PolarHBondContact O-OG 3Å; A94-S97 PolarHBondContact O-N 2.91Å; I95-S97 PolarHBondContact O-N 2.84Å; S97-A101 WeakPolarHBondContact O-CB 3.29Å; S97-A101 PolarHBondContact O-N 3.4Å
98S95.4Very high94.7Very high1 Ų131.1 Ų31.11%0.00717%0.169CC..Hα-helixtrans-65.3-43.5177-56.30000112.6M69 F86 T88 A94 I95 A96 A101 T102M69-S98 WeakPolarHBondContact CE-OG 3.25Å; M69-S98 PolarHBondContact SD-OG 3.41Å; F86-S98 VanDerWaalsContact CE2-CB 3.49Å; T88-S98 PolarHBondContact OG1-OG 2.86Å; A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.31Å; A94-S98 PolarHBondContact O-OG 2.99Å; I95-S98 PolarHBondContact O-N 3.26Å; A96-S98 VanDerWaalsContact C-N 3.35Å; A96-S98 PolarHBondContact O-N 2.8Å; S98-A101 PolarHBondContact O-N 3.28Å; S98-T102 PolarHBondContact O-N 3.42Å; S98-T102 VanDerWaalsContact O-N 3.07Å; S98-T102 PolarHBondContact O-OG1 3.07Å
99S96.4Very high94.8Very high0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-63.2-48.9178.6-179.80000111.1H38 R43 I95 A96 A101 T102 E103H38-S99 PolarHBondContact ND1-OG 3.48Å; R43-S99 PolarHBondContact N-OG 3.1Å; R43-S99 PolarHBondContact O-OG 3.4Å; I95-S99 PolarHBondContact O-N 3.03Å; A96-S99 PolarHBondContact O-N 2.87Å; S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.82Å; S99-T102 PolarHBondContact O-N 3.46Å; S99-T102 PolarHBondContact O-OG1 3.47Å; S99-E103 PolarHBondContact O-N 3.26Å
100L96.1Very high94.7Very high6 Ų624.8 Ų24.83%0.03114%0.144CC..Hα-helixtrans-60.6-43177.7-177.268000111.6A96 T102 E103 W104 I121 E124 L125A96-L100 WeakPolarHBondContact O-CB 3.26Å; A96-L100 PolarHBondContact O-N 2.79Å; L100-T102 VanDerWaalsContact C-N 3.31Å; L100-T102 PolarHBondContact O-N 2.93Å; L100-E103 PolarHBondContact O-N 3Å; L100-W104 HydrophobicContact CD1-CZ2 4.47Å; L100-W104 HydrophobicContact CD2-CZ2 4.23Å; L100-W104 HydrophobicContact CG-CD2 4.42Å; L100-W104 HydrophobicContact CG-CZ2 4.47Å; L100-W104 PolarHBondContact O-N 3.1Å; L100-I121 HydrophobicContact CD2-CG2 4.35Å; L100-E124 HydrophobicContact CD1-CG 4.3Å; L100-E124 HydrophobicContact CD2-CB 3.84Å; L100-E124 HydrophobicContact CD2-CG 3.65Å; L100-L125 HydrophobicContact CD2-CD1 4.15Å; L100-L125 HydrophobicContact CD2-CD2 4.04Å; L100-L125 HydrophobicContact CD2-CG 3.74Å
101A95.7Very high94.8Very high0 Ų028.3 Ų28.30%016%0.157CC..Hα-helixtrans-56.5-44.417600000111.9S97 S98 S99 E103 W104 V105 A138 I142S97-A101 WeakPolarHBondContact O-CB 3.29Å; S97-A101 PolarHBondContact O-N 3.4Å; S98-A101 PolarHBondContact O-N 3.28Å; S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.82Å; A101-E103 VanDerWaalsContact C-N 3.35Å; A101-E103 PolarHBondContact O-N 3.27Å; A101-W104 PolarHBondContact O-N 3.37Å; A101-V105 WeakPolarHBondContact O-CG1 3.33Å; A101-V105 WeakPolarHBondContact O-CG2 3.37Å; A101-V105 PolarHBondContact O-N 2.9Å; A101-A138 HydrophobicContact CB-CB 4.2Å; A101-I142 HydrophobicContact CB-CD1 4.03Å
102T96.2Very high94.9Very high0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-65.6-34.1178.949.40000114.1L71 A84 F86 S98 S99 L100 V105 K106L71-T102 HydrophobicContact CD1-CG2 3.92Å; L71-T102 HydrophobicContact CG-CG2 4.36Å; A84-T102 HydrophobicContact CB-CG2 4.2Å; F86-T102 HydrophobicContact CB-CG2 3.73Å; F86-T102 HydrophobicContact CD1-CG2 3.84Å; F86-T102 HydrophobicContact CG-CG2 4.1Å; S98-T102 PolarHBondContact O-N 3.42Å; S98-T102 VanDerWaalsContact O-N 3.07Å; S98-T102 PolarHBondContact O-OG1 3.07Å; S99-T102 PolarHBondContact O-N 3.46Å; S99-T102 PolarHBondContact O-OG1 3.47Å; L100-T102 VanDerWaalsContact C-N 3.31Å; L100-T102 PolarHBondContact O-N 2.93Å; T102-V105 WeakPolarHBondContact O-CG2 3.37Å; T102-K106 PolarHBondContact O-N 2.99Å
103E95.9Very high95Very high71 Ų7130.7 Ų30.733%0.33216%0.161SC..Hα-helixtrans-68.3-42.4173.9-68.2-174.9157.400111.1H38 R43 S99 L100 A101 V105 K106H38-E103 IonicContact CE1-OE2 3.94Å; H38-E103 PolarHBondContact CE1-OE2 2.89Å; R43-E103 HydrophobicContact CB-CG 4.14Å; R43-E103 VanDerWaalsContact CB-OE1 3.23Å; R43-E103 WeakPolarHBondContact CB-OE1 3.27Å; R43-E103 WeakPolarHBondContact CD-OE1 3.36Å; R43-E103 WeakPolarHBondContact CG-OE1 3.39Å; R43-E103 IonicContact NE-OE1 3.04Å; S99-E103 PolarHBondContact O-N 3.26Å; L100-E103 PolarHBondContact O-N 3Å; A101-E103 VanDerWaalsContact C-N 3.35Å; A101-E103 PolarHBondContact O-N 3.27Å; E103-V105 PolarHBondContact O-N 3.37Å; E103-K106 PolarHBondContact O-N 3.06Å
104W95.2Very high95Very high66 Ų6633.2 Ų33.225%0.2517%0.174CC..Hα-helixtrans-69.7-31.6-177.3-80.718.7000114.1L100 A101 K108 I116 D120 I121 E124L100-W104 HydrophobicContact CD1-CZ2 4.47Å; L100-W104 HydrophobicContact CD2-CZ2 4.23Å; L100-W104 HydrophobicContact CG-CD2 4.42Å; L100-W104 HydrophobicContact CG-CZ2 4.47Å; L100-W104 PolarHBondContact O-N 3.1Å; A101-W104 PolarHBondContact O-N 3.37Å; W104-K108 WeakPolarHBondContact O-CD 3.44Å; W104-K108 WeakPolarHBondContact O-CE 3.47Å; W104-K108 WeakPolarHBondContact O-CG 3.36Å; W104-K108 PolarHBondContact O-NZ 2.97Å; W104-I116 HydrophobicContact CB-CD1 4.2Å; W104-I116 HydrophobicContact CE3-CG2 4.02Å; W104-I116 HydrophobicContact CZ3-CG2 4.4Å; W104-D120 HydrophobicContact CH2-CB 4.12Å; W104-D120 HydrophobicContact CZ3-CB 3.88Å; W104-I121 HydrophobicContact CE3-CG1 4.27Å; W104-I121 HydrophobicContact CZ3-CG1 3.97Å; W104-E124 HydrophobicContact CH2-CB 4Å; W104-E124 HydrophobicContact CH2-CG 4.38Å; W104-E124 HydrophobicContact CZ2-CB 3.9Å; W104-E124 HydrophobicContact CZ2-CG 3.76Å
105V95.9Very high95.1Very high0 Ų040.5 Ų40.50%021%0.205CC..Hα-helixtrans-78.8-24.5176.6-62.90000112I73 I81 A84 A101 T102 E103 G107 K108 A113 I116 I142I73-V105 HydrophobicContact CG2-CG2 4.37Å; I81-V105 WeakPolarHBondContact CB-O 3.43Å; I81-V105 HydrophobicContact CD1-CB 4.1Å; A84-V105 HydrophobicContact CB-CG2 3.51Å; A101-V105 WeakPolarHBondContact O-CG1 3.33Å; A101-V105 WeakPolarHBondContact O-CG2 3.37Å; A101-V105 PolarHBondContact O-N 2.9Å; T102-V105 WeakPolarHBondContact O-CG2 3.37Å; E103-V105 PolarHBondContact O-N 3.37Å; V105-G107 PolarHBondContact O-N 3.49Å; V105-K108 PolarHBondContact O-N 2.96Å; V105-A113 HydrophobicContact CG1-CB 4.31Å; V105-I116 HydrophobicContact CG1-CD1 3.83Å; V105-I142 HydrophobicContact CG1-CD1 3.85Å; V105-I142 HydrophobicContact CG1-CG1 3.94Å; V105-I142 HydrophobicContact CG1-CG2 4.11Å
106K94.8Very high95.1Very high111 Ų11139.5 Ų39.548%0.48320%0.2SC..THydrogen-bonded Turntrans-66128.3-179.3-168.4178.3179.4-177.30110.1V82 T102 E103 K108V82-K106 WeakPolarHBondContact O-CE 3.45Å; T102-K106 PolarHBondContact O-N 2.99Å; E103-K106 PolarHBondContact O-N 3.06Å; K106-K108 VanDerWaalsContact C-N 3.28Å; K106-K108 PolarHBondContact O-N 3.27Å
107G94.1Very high95Very high52 Ų5245.1 Ų45.154%0.53622%0.224SC..THydrogen-bonded Turntrans84-9.5-179.200000115.3I81 V105I81-G107 WeakPolarHBondContact O-CA 3.35Å; I81-G107 PolarHBondContact O-N 3.21Å; V105-G107 PolarHBondContact O-N 3.49Å
108K95.6Very high95Very high64 Ų6447 Ų4728%0.27823%0.234SC..  trans-83.1156.7175-69.9-171.8-175.6159.60111.7I81 W104 V105 K106 E112 I116I81-K108 PolarHBondContact N-O 3.47Å; W104-K108 WeakPolarHBondContact O-CD 3.44Å; W104-K108 WeakPolarHBondContact O-CE 3.47Å; W104-K108 WeakPolarHBondContact O-CG 3.36Å; W104-K108 PolarHBondContact O-NZ 2.97Å; V105-K108 PolarHBondContact O-N 2.96Å; K106-K108 VanDerWaalsContact C-N 3.28Å; K106-K108 PolarHBondContact O-N 3.27Å; K108-E112 HydrophobicContact CB-CB 4.01Å; K108-E112 HydrophobicContact CD-CB 4.26Å; K108-E112 HydrophobicContact CG-CB 4.39Å; K108-I116 HydrophobicContact CD-CD1 4.25Å
109S95.8Very high94.9Very high30 Ų3050 Ų5021%0.2125%0.253CS..BIsolated β-bridgetrans-72.7161.7166.263.20000111.4D111 E112 A113S109-D111 PolarHBondContact O-N 3.33Å; S109-E112 PolarHBondContact N-OE2 3.45Å; S109-E112 PolarHBondContact O-N 2.96Å; S109-E112 WeakPolarHBondContact OG-CB 3.46Å; S109-E112 VanDerWaalsContact OG-CD 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.41Å; S109-E112 PolarHBondContact OG-N 3.36Å; S109-E112 PolarHBondContact OG-OE2 3.41Å; S109-E112 VanDerWaalsContact OG-OE2 3.1Å; S109-A113 WeakPolarHBondContact O-CB 2.97Å; S109-A113 PolarHBondContact O-N 3.33Å
110V93.1Very high94.9Very high13 Ų1353.1 Ų53.18%0.07927%0.269CS..Hα-helixtrans-54.1-40.9176.1173.20000111.6V75 G79 A113 L114 L146 Y149V75-V110 HydrophobicContact CG1-CG2 4.01Å; V75-V110 HydrophobicContact CG2-CG2 4.27Å; G79-V110 PolarHBondContact O-N 3.46Å; V110-A113 PolarHBondContact O-N 3.09Å; V110-L114 PolarHBondContact O-N 2.94Å; V110-L146 HydrophobicContact CB-CD2 4.3Å; V110-L146 HydrophobicContact CG1-CD2 3.86Å; V110-L146 HydrophobicContact CG2-CD2 4.36Å; V110-Y149 HydrophobicContact CG2-CD1 4.27Å; V110-Y149 HydrophobicContact CG2-CE1 4.03Å
111D92.7Very high94.8Very high98 Ų9852.8 Ų52.852%0.52427%0.268SS..Hα-helixtrans-76.9-30.8-178-59.7-41.1000113S109 K115 R150S109-D111 PolarHBondContact O-N 3.33Å; D111-K115 WeakPolarHBondContact O-CG 3.05Å; D111-R150 IonicContact OD1-NH2 3.79Å; D111-R150 PolarHBondContact OD1-NH2 3.25Å
112E94.6Very high94.7Very high97 Ų9753.3 Ų53.345%0.45327%0.272SS..Hα-helixtrans-70.1-38171.4-75.1167.8165.100111.8K108 S109 L114 K115K108-E112 HydrophobicContact CB-CB 4.01Å; K108-E112 HydrophobicContact CD-CB 4.26Å; K108-E112 HydrophobicContact CG-CB 4.39Å; S109-E112 PolarHBondContact N-OE2 3.45Å; S109-E112 PolarHBondContact O-N 2.96Å; S109-E112 WeakPolarHBondContact OG-CB 3.46Å; S109-E112 VanDerWaalsContact OG-CD 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.41Å; S109-E112 PolarHBondContact OG-N 3.36Å; S109-E112 PolarHBondContact OG-OE2 3.41Å; S109-E112 VanDerWaalsContact OG-OE2 3.1Å; E112-L114 VanDerWaalsContact C-N 3.26Å; E112-L114 PolarHBondContact O-N 3.47Å; E112-K115 WeakPolarHBondContact O-CB 3.18Å; E112-K115 PolarHBondContact O-N 3.11Å; E112-K115 VanDerWaalsContact O-N 3.11Å
113A94.6Very high94.6Very high0 Ų060.5 Ų60.50%030%0.303CS..Hα-helixtrans-63.3-34.3176.500000111.8I81 V105 S109 V110 K115 I116 I142 L146I81-A113 HydrophobicContact CD1-CB 3.67Å; V105-A113 HydrophobicContact CG1-CB 4.31Å; S109-A113 WeakPolarHBondContact O-CB 2.97Å; S109-A113 PolarHBondContact O-N 3.33Å; V110-A113 PolarHBondContact O-N 3.09Å; A113-K115 VanDerWaalsContact C-N 3.26Å; A113-K115 PolarHBondContact O-N 3.12Å; A113-I116 WeakPolarHBondContact O-CB 3.41Å; A113-I116 WeakPolarHBondContact O-CG1 3.28Å; A113-I116 PolarHBondContact O-N 2.85Å; A113-I142 HydrophobicContact CB-CG2 4.49Å; A113-L146 HydrophobicContact CB-CD1 3.77Å; A113-L146 HydrophobicContact CB-CD2 4.21Å
114L93.6Very high94.5Very high56 Ų5660.7 Ų60.729%0.29330%0.304SS..Hα-helixtrans-66.4-23.5173.6-77.2175.8000114.4V110 E112 I116 K143 L146V110-L114 PolarHBondContact O-N 2.94Å; E112-L114 VanDerWaalsContact C-N 3.26Å; E112-L114 PolarHBondContact O-N 3.47Å; L114-I116 VanDerWaalsContact C-N 3.26Å; L114-K143 HydrophobicContact CD2-CG 4.3Å; L114-L146 HydrophobicContact CD2-CB 4.34Å; L114-L146 HydrophobicContact CD2-CD1 3.67Å; L114-L146 HydrophobicContact CG-CD1 3.8Å
115K95.4Very high94.3Very high154 Ų15457.6 Ų57.667%0.6729%0.293SS*.THydrogen-bonded Turntrans-79.7-10.6180-67.2173.6-173.1176.20112.7D111 E112 A113 K117D111-K115 WeakPolarHBondContact O-CG 3.05Å; E112-K115 WeakPolarHBondContact O-CB 3.18Å; E112-K115 PolarHBondContact O-N 3.11Å; E112-K115 VanDerWaalsContact O-N 3.11Å; A113-K115 VanDerWaalsContact C-N 3.26Å; A113-K115 PolarHBondContact O-N 3.12Å; K115-K117 PolarHBondContact O-N 2.89Å
116I94.4Very high94.1Very high10 Ų1060.9 Ų60.95%0.05131%0.314CS..  trans-67.9124177.7-61.1172.7000108.8W104 V105 K108 A113 L114 I121 I142W104-I116 HydrophobicContact CB-CD1 4.2Å; W104-I116 HydrophobicContact CE3-CG2 4.02Å; W104-I116 HydrophobicContact CZ3-CG2 4.4Å; V105-I116 HydrophobicContact CG1-CD1 3.83Å; K108-I116 HydrophobicContact CD-CD1 4.25Å; A113-I116 WeakPolarHBondContact O-CB 3.41Å; A113-I116 WeakPolarHBondContact O-CG1 3.28Å; A113-I116 PolarHBondContact O-N 2.85Å; L114-I116 VanDerWaalsContact C-N 3.26Å; I116-I121 HydrophobicContact CG2-CD1 4.12Å; I116-I121 HydrophobicContact CG2-CG1 4.31Å; I116-I142 HydrophobicContact CB-CD1 4.48Å; I116-I142 HydrophobicContact CD1-CD1 4.4Å; I116-I142 HydrophobicContact CG2-CD1 4.16Å
117K95.2Very high93.8Very high118 Ų11856.5 Ų56.551%0.51330%0.296SS..  trans-109151.2179.4-63.5-177.4-179.9-1780111.6K115 T119 D120 I121K115-K117 PolarHBondContact O-N 2.89Å; K117-T119 PolarHBondContact O-N 3.39Å; K117-D120 PolarHBondContact O-N 3.28Å; K117-I121 PolarHBondContact O-N 3.02Å
118N94.1Very high93.6Very high40 Ų4057.4 Ų57.421%0.21429%0.293CS..Hα-helixtrans-53.7-33171.466.3-35.6000112.9D120 I121 A122 S135 M136 E139N118-D120 VanDerWaalsContact C-N 3.27Å; N118-D120 PolarHBondContact O-N 3.29Å; N118-I121 PolarHBondContact O-N 3.47Å; N118-A122 VanDerWaalsContact O-CB 3.3Å; N118-A122 WeakPolarHBondContact O-CB 3.47Å; N118-A122 PolarHBondContact O-N 3.17Å; N118-S135 WeakPolarHBondContact CB-O 3.39Å; N118-S135 WeakPolarHBondContact O-CB 3.33Å; N118-S135 PolarHBondContact O-OG 3.41Å; N118-M136 HydrophobicContact CB-CG 4.22Å; N118-M136 WeakPolarHBondContact ND2-CG 3.42Å; N118-E139 HydrophobicContact CB-CB 4.24Å; N118-E139 WeakPolarHBondContact CB-OE2 3.32Å; N118-E139 VanDerWaalsContact CG-OE2 3.27Å; N118-E139 PolarHBondContact N-OE2 3.15Å; N118-E139 PolarHBondContact OD1-OE2 2.61Å
119T94.2Very high93.3Very high65 Ų6559.5 Ų59.540%0.39931%0.313SS..Hα-helixtrans-62.9-34.9178.552.60000112.5K117 K123K117-T119 PolarHBondContact O-N 3.39Å; T119-K123 WeakPolarHBondContact O-CB 3.5Å; T119-K123 WeakPolarHBondContact O-CD 3.49Å; T119-K123 WeakPolarHBondContact O-CG 3.21Å; T119-K123 PolarHBondContact O-N 3.16Å
120D95.2Very high93Very high64 Ų6463.8 Ų63.834%0.34234%0.337SS..Hα-helixtrans-77-41.3-177.2-55.6-33.5000110W104 K117 N118 K123 E124W104-D120 HydrophobicContact CH2-CB 4.12Å; W104-D120 HydrophobicContact CZ3-CB 3.88Å; K117-D120 PolarHBondContact O-N 3.28Å; N118-D120 VanDerWaalsContact C-N 3.27Å; N118-D120 PolarHBondContact O-N 3.29Å; D120-K123 PolarHBondContact O-N 3.1Å; D120-E124 WeakPolarHBondContact O-CB 3.49Å; D120-E124 PolarHBondContact O-N 3.42Å
121I94.4Very high92.8Very high0 Ų066 Ų660%035%0.346CS..Hα-helixtrans-60.8-46.1173.1-61.4173.3000110.6L100 W104 I116 K117 N118 K123 E124 L125 A138L100-I121 HydrophobicContact CD2-CG2 4.35Å; W104-I121 HydrophobicContact CE3-CG1 4.27Å; W104-I121 HydrophobicContact CZ3-CG1 3.97Å; I116-I121 HydrophobicContact CG2-CD1 4.12Å; I116-I121 HydrophobicContact CG2-CG1 4.31Å; K117-I121 PolarHBondContact O-N 3.02Å; N118-I121 PolarHBondContact O-N 3.47Å; I121-K123 PolarHBondContact O-N 3.12Å; I121-E124 PolarHBondContact O-N 3.24Å; I121-L125 HydrophobicContact CG2-CD1 4.19Å; I121-L125 PolarHBondContact O-N 3.39Å; I121-L125 VanDerWaalsContact O-N 3.08Å; I121-A138 HydrophobicContact CD1-CB 4Å
122A93.8Very high92.8Very high10 Ų1064.8 Ų64.88%0.08334%0.339CS..Hα-helixtrans-64.2-39.918000000112.6N118 C126 L127 L132N118-A122 VanDerWaalsContact O-CB 3.3Å; N118-A122 WeakPolarHBondContact O-CB 3.47Å; N118-A122 PolarHBondContact O-N 3.17Å; A122-C126 WeakPolarHBondContact O-CA 3.3Å; A122-C126 PolarHBondContact O-N 3.38Å; A122-L127 HydrophobicContact CB-CB 4.45Å; A122-L127 HydrophobicContact CB-CD1 4.32Å; A122-L127 PolarHBondContact O-N 2.99Å; A122-L132 HydrophobicContact CB-CD2 3.61Å
123K93.6Very high92.6Very high152 Ų15264 Ų6466%0.66134%0.335SS*.Hα-helixtrans-65-45.8174.9-76.4170.3-176.1176.30111.3T119 D120 I121 L125 C126T119-K123 WeakPolarHBondContact O-CB 3.5Å; T119-K123 WeakPolarHBondContact O-CD 3.49Å; T119-K123 WeakPolarHBondContact O-CG 3.21Å; T119-K123 PolarHBondContact O-N 3.16Å; D120-K123 PolarHBondContact O-N 3.1Å; I121-K123 PolarHBondContact O-N 3.12Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 2.93Å; K123-C126 PolarHBondContact O-N 3.39Å; K123-C126 VanDerWaalsContact O-N 3.1Å; K123-C126 PolarHBondContact O-SG 2.89Å
124E93.8Very high92.5Very high75 Ų7564 Ų6435%0.3534%0.335SS..Hα-helixtrans-61-44.1-177.6-174.358.1-146.500111.8K34 L100 W104 D120 I121 C126K34-E124 WeakPolarHBondContact CD-O 3.48Å; K34-E124 PolarHBondContact NZ-O 3.01Å; K34-E124 IonicContact NZ-OE1 3.36Å; K34-E124 PolarHBondContact NZ-OE1 2.97Å; K34-E124 IonicContact NZ-OE2 2.82Å; L100-E124 HydrophobicContact CD1-CG 4.3Å; L100-E124 HydrophobicContact CD2-CB 3.84Å; L100-E124 HydrophobicContact CD2-CG 3.65Å; W104-E124 HydrophobicContact CH2-CB 4Å; W104-E124 HydrophobicContact CH2-CG 4.38Å; W104-E124 HydrophobicContact CZ2-CB 3.9Å; W104-E124 HydrophobicContact CZ2-CG 3.76Å; D120-E124 WeakPolarHBondContact O-CB 3.49Å; D120-E124 PolarHBondContact O-N 3.42Å; I121-E124 PolarHBondContact O-N 3.24Å; E124-C126 VanDerWaalsContact C-N 3.3Å
125L91.8Very high92.5Very high1 Ų161.3 Ų61.31%0.00532%0.321CS..THydrogen-bonded Turntrans-83.3-3.6178.2-67.5176.9000113.9K34 V35 A96 L100 I121 K123 L127K34-L125 HydrophobicContact CB-CD2 4.22Å; V35-L125 HydrophobicContact CG2-CB 4Å; V35-L125 HydrophobicContact CG2-CD2 4.25Å; A96-L125 HydrophobicContact CB-CD1 4.18Å; A96-L125 HydrophobicContact CB-CD2 4.41Å; L100-L125 HydrophobicContact CD2-CD1 4.15Å; L100-L125 HydrophobicContact CD2-CD2 4.04Å; L100-L125 HydrophobicContact CD2-CG 3.74Å; I121-L125 HydrophobicContact CG2-CD1 4.19Å; I121-L125 PolarHBondContact O-N 3.39Å; I121-L125 VanDerWaalsContact O-N 3.08Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 2.93Å; L125-L127 VanDerWaalsContact C-N 3.29Å; L125-L127 HydrophobicContact CB-CD2 3.84Å; L125-L127 HydrophobicContact CB-CG 3.82Å; L125-L127 PolarHBondContact O-N 3.49Å
126C91.6Very high92.4Very high68 Ų6858.6 Ų58.646%0.45931%0.312SS..THydrogen-bonded Turntrans51.447.2-175.7-56.20000112.2H32 A122 K123 E124H32-C126 HydrophobicContact CB-CB 4.39Å; A122-C126 WeakPolarHBondContact O-CA 3.3Å; A122-C126 PolarHBondContact O-N 3.38Å; K123-C126 PolarHBondContact O-N 3.39Å; K123-C126 VanDerWaalsContact O-N 3.1Å; K123-C126 PolarHBondContact O-SG 2.89Å; E124-C126 VanDerWaalsContact C-N 3.3Å
127L89.1Confident92.4Very high19 Ų1959 Ų5910%0.09932%0.315CS..  trans-70.3135.6-175.6-62.4-179.8000111.2V35 A122 L125V35-L127 HydrophobicContact CG2-CD2 3.91Å; A122-L127 HydrophobicContact CB-CB 4.45Å; A122-L127 HydrophobicContact CB-CD1 4.32Å; A122-L127 PolarHBondContact O-N 2.99Å; L125-L127 VanDerWaalsContact C-N 3.29Å; L125-L127 HydrophobicContact CB-CD2 3.84Å; L125-L127 HydrophobicContact CB-CG 3.82Å; L125-L127 PolarHBondContact O-N 3.49Å
128P89.9Confident92.4Very high72 Ų7253.4 Ų53.447%0.46829%0.29SS..  trans-68.6157.2171.229.8-34.7000110.7V130 K131P128-V130 PolarHBondContact O-N 3.14Å; P128-K131 HydrophobicContact CG-CB 4.31Å; P128-K131 HydrophobicContact CG-CG 4.21Å; P128-K131 PolarHBondContact O-N 3.48Å
129P88.4Confident92.5Very high107 Ų10752.7 Ų52.770%0.69529%0.286SS*.G310 helixtrans-52.9-33.6-176.4-28.735.2000114.7K131 L132P129-K131 PolarHBondContact O-N 3.4Å; P129-L132 HydrophobicContact CB-CD1 4.47Å; P129-L132 WeakPolarHBondContact O-CG 3.43Å; P129-L132 PolarHBondContact O-N 3.11Å
130V89.9Confident92.6Very high120 Ų12053.2 Ų53.273%0.72729%0.286SS*.G310 helixtrans-65.6-23.6-179.4-172.60000112.6P128 H133P128-V130 PolarHBondContact O-N 3.14Å; V130-H133 PolarHBondContact O-CE1 2.99Å; V130-H133 PolarHBondContact O-ND1 2.67Å
131K89.3Confident92.6Very high61 Ų6150.2 Ų50.227%0.26527%0.27SS..G310 helixtrans-107.214.4-176.4-64.5-60.5-172.6178.30114P128 P129 H133 C134P128-K131 HydrophobicContact CG-CB 4.31Å; P128-K131 HydrophobicContact CG-CG 4.21Å; P128-K131 PolarHBondContact O-N 3.48Å; P129-K131 PolarHBondContact O-N 3.4Å; K131-H133 PolarHBondContact O-N 3.08Å; K131-C134 WeakPolarHBondContact O-CB 3.31Å; K131-C134 PolarHBondContact O-N 2.96Å
132L91.9Very high92.7Very high72 Ų7250.4 Ų50.438%0.37727%0.271SS..Hα-helixtrans-65.9-21.6177.6-68.1174.6000113.8A122 P129 C134 S135 M136A122-L132 HydrophobicContact CB-CD2 3.61Å; P129-L132 HydrophobicContact CB-CD1 4.47Å; P129-L132 WeakPolarHBondContact O-CG 3.43Å; P129-L132 PolarHBondContact O-N 3.11Å; L132-C134 PolarHBondContact O-N 3.14Å; L132-S135 PolarHBondContact O-N 2.86Å; L132-S135 PolarHBondContact O-OG 3.41Å; L132-M136 PolarHBondContact O-N 3.08Å
133H90.7Very high92.8Very high79 Ų7953.7 Ų53.737%0.36628%0.283SS..Hα-helixtrans-61.9-29.1173.763.1-87.5000112.4D67 V130 K131 S135 M136 L137D67-H133 IonicContact OD2-CD2 2.97Å; D67-H133 PolarHBondContact OD2-CD2 3.35Å; D67-H133 VanDerWaalsContact OD2-CD2 3.28Å; D67-H133 IonicContact OD2-NE2 3.47Å; D67-H133 PolarHBondContact OD2-NE2 3.36Å; V130-H133 PolarHBondContact O-CE1 2.99Å; V130-H133 PolarHBondContact O-ND1 2.67Å; K131-H133 PolarHBondContact O-N 3.08Å; H133-S135 VanDerWaalsContact C-N 3.33Å; H133-S135 PolarHBondContact O-N 3.06Å; H133-M136 PolarHBondContact O-N 3.48Å; H133-L137 WeakPolarHBondContact O-CB 3.12Å; H133-L137 PolarHBondContact O-N 3.42Å
134C91.9Very high93Very high1 Ų147.9 Ų47.91%0.00726%0.264CS..Hα-helixtrans-65.9-35.9178-56.60000112.1C91 A94 K131 L132 A138C91-C134 VanDerWaalsContact SG-SG 3.63Å; A94-C134 HydrophobicContact CB-CB 4.38Å; K131-C134 WeakPolarHBondContact O-CB 3.31Å; K131-C134 PolarHBondContact O-N 2.96Å; L132-C134 PolarHBondContact O-N 3.14Å; C134-A138 PolarHBondContact O-N 3.18Å
135S93.4Very high93.1Very high0 Ų044.3 Ų44.30%025%0.247CC..Hα-helixtrans-77.7-32.217762.80000112.2N118 L132 H133 A138 E139N118-S135 WeakPolarHBondContact CB-O 3.39Å; N118-S135 WeakPolarHBondContact O-CB 3.33Å; N118-S135 PolarHBondContact O-OG 3.41Å; L132-S135 PolarHBondContact O-N 2.86Å; L132-S135 PolarHBondContact O-OG 3.41Å; H133-S135 VanDerWaalsContact C-N 3.33Å; H133-S135 PolarHBondContact O-N 3.06Å; S135-A138 PolarHBondContact O-N 3.38Å; S135-E139 PolarHBondContact O-N 3.35Å; S135-E139 VanDerWaalsContact O-N 3.1Å
136M94.4Very high93.2Very high97 Ų9744.3 Ų44.348%0.47825%0.247SC..Hα-helixtrans-62.7-46.3171.2-66.1175.368.900111.1N118 L132 H133 A138 E139 D140N118-M136 HydrophobicContact CB-CG 4.22Å; N118-M136 WeakPolarHBondContact ND2-CG 3.42Å; L132-M136 PolarHBondContact O-N 3.08Å; H133-M136 PolarHBondContact O-N 3.48Å; M136-A138 VanDerWaalsContact C-N 3.26Å; M136-A138 PolarHBondContact O-N 2.69Å; M136-E139 PolarHBondContact O-N 3.22Å; M136-E139 VanDerWaalsContact O-N 3.16Å; M136-D140 VanDerWaalsContact O-CG 3.31Å; M136-D140 PolarHBondContact O-N 3.28Å
137L94.6Very high93.4Very high19 Ų1944 Ų4410%0.09925%0.246CC..Hα-helixtrans-57.2-40.6176.5-174.471.2000112V60 D67 M69 H133 D140 A141V60-L137 HydrophobicContact CB-CD1 4.19Å; V60-L137 HydrophobicContact CG2-CD1 3.65Å; V60-L137 HydrophobicContact CG2-CG 4.2Å; D67-L137 HydrophobicContact CB-CD2 3.9Å; M69-L137 HydrophobicContact CB-CD2 3.92Å; M69-L137 HydrophobicContact CB-CG 4.05Å; H133-L137 WeakPolarHBondContact O-CB 3.12Å; H133-L137 PolarHBondContact O-N 3.42Å; L137-D140 PolarHBondContact O-N 3.47Å; L137-A141 WeakPolarHBondContact O-CB 3.48Å; L137-A141 PolarHBondContact O-N 3.06Å
138A95.1Very high93.7Very high0 Ų045.3 Ų45.30%025%0.252CS..Hα-helixtrans-66.6-42.4177.800000112.5M69 A101 I121 C134 S135 M136 A141 I142M69-A138 HydrophobicContact SD-CB 4.39Å; A101-A138 HydrophobicContact CB-CB 4.2Å; I121-A138 HydrophobicContact CD1-CB 4Å; C134-A138 PolarHBondContact O-N 3.18Å; S135-A138 PolarHBondContact O-N 3.38Å; M136-A138 VanDerWaalsContact C-N 3.26Å; M136-A138 PolarHBondContact O-N 2.69Å; A138-A141 PolarHBondContact O-N 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.4Å; A138-I142 PolarHBondContact O-N 2.93Å; A138-I142 VanDerWaalsContact O-N 3.12Å
139E95.7Very high93.9Very high25 Ų2543.3 Ų43.312%0.11724%0.236CC..Hα-helixtrans-62-46.9173.9179.1-178.7168.600111.5N118 S135 M136 A141 I142 K143N118-E139 HydrophobicContact CB-CB 4.24Å; N118-E139 WeakPolarHBondContact CB-OE2 3.32Å; N118-E139 VanDerWaalsContact CG-OE2 3.27Å; N118-E139 PolarHBondContact N-OE2 3.15Å; N118-E139 PolarHBondContact OD1-OE2 2.61Å; S135-E139 PolarHBondContact O-N 3.35Å; S135-E139 VanDerWaalsContact O-N 3.1Å; M136-E139 PolarHBondContact O-N 3.22Å; M136-E139 VanDerWaalsContact O-N 3.16Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 3.46Å; E139-I142 PolarHBondContact O-N 3.46Å; E139-K143 HydrophobicContact CG-CD 4.35Å; E139-K143 WeakPolarHBondContact O-CG 3.46Å; E139-K143 PolarHBondContact O-N 3.46Å; E139-K143 WeakPolarHBondContact OE1-CE 3.5Å; E139-K143 IonicContact OE1-NZ 3.28Å; E139-K143 PolarHBondContact OE1-NZ 2.77Å
140D95.9Very high94.1Very high76 Ų7642.7 Ų42.741%0.40622%0.22SC..Hα-helixtrans-61.9-38.5179-69.1-22.7000111.3V60 M136 L137 K143 A144V60-D140 HydrophobicContact CG1-CB 4.37Å; M136-D140 VanDerWaalsContact O-CG 3.31Å; M136-D140 PolarHBondContact O-N 3.28Å; L137-D140 PolarHBondContact O-N 3.47Å; D140-K143 PolarHBondContact O-N 3.36Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.4Å; D140-A144 PolarHBondContact O-N 3.24Å
141A96.2Very high94.2Very high0 Ų041.7 Ų41.70%021%0.21CC..Hα-helixtrans-62.7-42.4175.400000112.3V60 M69 L71 L137 A138 E139 A145V60-A141 HydrophobicContact CG2-CB 3.53Å; M69-A141 HydrophobicContact CE-CB 3.6Å; M69-A141 HydrophobicContact CG-CB 4.02Å; M69-A141 HydrophobicContact SD-CB 3.61Å; L71-A141 HydrophobicContact CB-CB 4.02Å; L137-A141 WeakPolarHBondContact O-CB 3.48Å; L137-A141 PolarHBondContact O-N 3.06Å; A138-A141 PolarHBondContact O-N 3.23Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 3.46Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.28Å
142I96.1Very high94.2Very high5 Ų541.1 Ų41.13%0.02621%0.207CC..Hα-helixtrans-62.1-50.4176.4-67.6166.9000109.6L71 A101 V105 A113 I116 A138 E139 A144 A145 L146L71-I142 HydrophobicContact CD1-CG1 4.19Å; A101-I142 HydrophobicContact CB-CD1 4.03Å; V105-I142 HydrophobicContact CG1-CD1 3.85Å; V105-I142 HydrophobicContact CG1-CG1 3.94Å; V105-I142 HydrophobicContact CG1-CG2 4.11Å; A113-I142 HydrophobicContact CB-CG2 4.49Å; I116-I142 HydrophobicContact CB-CD1 4.48Å; I116-I142 HydrophobicContact CD1-CD1 4.4Å; I116-I142 HydrophobicContact CG2-CD1 4.16Å; A138-I142 WeakPolarHBondContact O-CG1 3.4Å; A138-I142 PolarHBondContact O-N 2.93Å; A138-I142 VanDerWaalsContact O-N 3.12Å; E139-I142 PolarHBondContact O-N 3.46Å; I142-A144 PolarHBondContact O-N 3.03Å; I142-A145 PolarHBondContact O-N 3.1Å; I142-L146 HydrophobicContact CG2-CD1 3.57Å; I142-L146 HydrophobicContact CG2-CG 4.38Å; I142-L146 WeakPolarHBondContact O-CD1 3.14Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.11Å; I142-L146 PolarHBondContact O-N 3.39Å
143K96.1Very high94Very high79 Ų7941 Ų4134%0.34321%0.205SC..Hα-helixtrans-59.6-46.5179.3-70.8176.9-175.8168.30111.6L114 E139 D140 A145 L146 S147L114-K143 HydrophobicContact CD2-CG 4.3Å; E139-K143 HydrophobicContact CG-CD 4.35Å; E139-K143 WeakPolarHBondContact O-CG 3.46Å; E139-K143 PolarHBondContact O-N 3.46Å; E139-K143 WeakPolarHBondContact OE1-CE 3.5Å; E139-K143 IonicContact OE1-NZ 3.28Å; E139-K143 PolarHBondContact OE1-NZ 2.77Å; D140-K143 PolarHBondContact O-N 3.36Å; K143-A145 VanDerWaalsContact C-N 3.34Å; K143-A145 PolarHBondContact O-N 2.95Å; K143-L146 PolarHBondContact O-N 3.07Å; K143-S147 WeakPolarHBondContact O-CB 3.03Å; K143-S147 PolarHBondContact O-N 3.34Å; K143-S147 PolarHBondContact O-OG 2.94Å
144A96.4Very high93.8Very high30 Ų3043.6 Ų43.625%0.24822%0.217CC..Hα-helixtrans-60.1-43178.300000112V60 D140 I142 S147 D148V60-A144 HydrophobicContact CG1-CB 3.8Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.4Å; D140-A144 PolarHBondContact O-N 3.24Å; I142-A144 PolarHBondContact O-N 3.03Å; A144-S147 PolarHBondContact O-N 2.72Å; A144-D148 PolarHBondContact O-N 2.92Å
145A96.3Very high92.9Very high0 Ų051.5 Ų51.50%025%0.254CS..Hα-helixtrans-65.9-39.1178.100000112.7G56 L71 I73 A141 I142 K143 Y149G56-A145 WeakPolarHBondContact CA-O 3.48Å; L71-A145 HydrophobicContact CD2-CB 3.61Å; I73-A145 HydrophobicContact CD1-CB 4.17Å; I73-A145 HydrophobicContact CG1-CB 4.17Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.28Å; I142-A145 PolarHBondContact O-N 3.1Å; K143-A145 VanDerWaalsContact C-N 3.34Å; K143-A145 PolarHBondContact O-N 2.95Å; A145-Y149 PolarHBondContact O-N 3.38Å; A145-Y149 VanDerWaalsContact O-N 3.1Å
146L95.1Very high91.2Very high1 Ų159.4 Ų59.41%0.00529%0.288CS..Hα-helixtrans-70.1-37.7176.8-65.4164.4000111.7I73 I81 V110 A113 L114 I142 K143 Y149 R150I73-L146 HydrophobicContact CD1-CD2 3.27Å; I73-L146 HydrophobicContact CD1-CG 3.81Å; I81-L146 HydrophobicContact CD1-CD2 4.19Å; V110-L146 HydrophobicContact CB-CD2 4.3Å; V110-L146 HydrophobicContact CG1-CD2 3.86Å; V110-L146 HydrophobicContact CG2-CD2 4.36Å; A113-L146 HydrophobicContact CB-CD1 3.77Å; A113-L146 HydrophobicContact CB-CD2 4.21Å; L114-L146 HydrophobicContact CD2-CB 4.34Å; L114-L146 HydrophobicContact CD2-CD1 3.67Å; L114-L146 HydrophobicContact CG-CD1 3.8Å; I142-L146 HydrophobicContact CG2-CD1 3.57Å; I142-L146 HydrophobicContact CG2-CG 4.38Å; I142-L146 WeakPolarHBondContact O-CD1 3.14Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.11Å; I142-L146 PolarHBondContact O-N 3.39Å; K143-L146 PolarHBondContact O-N 3.07Å; L146-Y149 PolarHBondContact O-N 3.4Å; L146-R150 WeakPolarHBondContact O-CG 3.35Å; L146-R150 PolarHBondContact O-N 3.28Å
147S94.7Very high88.8Confident62 Ų6267.1 Ų67.143%0.43432%0.319SS..Hα-helixtrans-64-46.4174.1-64.50000111.9K143 A144 Y149 R150 L151K143-S147 WeakPolarHBondContact O-CB 3.03Å; K143-S147 PolarHBondContact O-N 3.34Å; K143-S147 PolarHBondContact O-OG 2.94Å; A144-S147 PolarHBondContact O-N 2.72Å; S147-Y149 VanDerWaalsContact C-N 3.29Å; S147-Y149 PolarHBondContact O-N 3.17Å; S147-R150 PolarHBondContact O-N 2.93Å; S147-R150 VanDerWaalsContact O-N 3.15Å; S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 3.03Å
148D95.1Very high88.5Confident45 Ų4569.5 Ų69.524%0.24133%0.33CS..Hα-helixtrans-58.3-42174.8-178.866.9000111.5G56 T57 A144 K152G56-D148 WeakPolarHBondContact CA-OD2 3.3Å; T57-D148 PolarHBondContact N-OD2 3.4Å; T57-D148 WeakPolarHBondContact O-CB 3.42Å; A144-D148 PolarHBondContact O-N 2.92Å; D148-K152 WeakPolarHBondContact O-CG 3.46Å; D148-K152 PolarHBondContact O-N 2.9Å; D148-K152 IonicContact OD1-NZ 2.87Å; D148-K152 WeakPolarHBondContact OD2-CE 3.19Å; D148-K152 IonicContact OD2-NZ 3.25Å; D148-K152 PolarHBondContact OD2-NZ 3.06Å
149Y94.3Very high88.1Confident30 Ų3073.2 Ų73.212%0.11835%0.347CS..Hα-helixtrans-60.3-46.8174.4171.2-105.1000112.2V75 V110 A145 L146 S147 K152 Q153V75-Y149 HydrophobicContact CB-CD2 4.23Å; V75-Y149 HydrophobicContact CB-CE1 4.25Å; V75-Y149 HydrophobicContact CB-CE2 3.67Å; V75-Y149 HydrophobicContact CG1-CE1 4.13Å; V75-Y149 HydrophobicContact CG1-CE2 4.28Å; V75-Y149 HydrophobicContact CG2-CD1 4.12Å; V75-Y149 HydrophobicContact CG2-CD2 3.89Å; V75-Y149 HydrophobicContact CG2-CE1 4.08Å; V75-Y149 HydrophobicContact CG2-CE2 3.84Å; V75-Y149 HydrophobicContact CG2-CG 4.03Å; V110-Y149 HydrophobicContact CG2-CD1 4.27Å; V110-Y149 HydrophobicContact CG2-CE1 4.03Å; A145-Y149 PolarHBondContact O-N 3.38Å; A145-Y149 VanDerWaalsContact O-N 3.1Å; L146-Y149 PolarHBondContact O-N 3.4Å; S147-Y149 VanDerWaalsContact C-N 3.29Å; S147-Y149 PolarHBondContact O-N 3.17Å; Y149-K152 PolarHBondContact O-N 3.31Å; Y149-Q153 HydrophobicContact CE1-CG 4.17Å; Y149-Q153 HydrophobicContact CE2-CG 4.09Å; Y149-Q153 WeakPolarHBondContact O-CG 3.26Å; Y149-Q153 PolarHBondContact O-N 2.82Å
150R92.1Very high87.7Confident95 Ų9575.8 Ų75.836%0.35836%0.36SS..Hα-helixtrans-62-44.7-179.9-74.9174.4173.8-174.5-5.8112.1D111 L146 S147 K152 Q153 E154D111-R150 IonicContact OD1-NH2 3.79Å; D111-R150 PolarHBondContact OD1-NH2 3.25Å; L146-R150 WeakPolarHBondContact O-CG 3.35Å; L146-R150 PolarHBondContact O-N 3.28Å; S147-R150 PolarHBondContact O-N 2.93Å; S147-R150 VanDerWaalsContact O-N 3.15Å; R150-K152 VanDerWaalsContact C-N 3.31Å; R150-K152 PolarHBondContact O-N 3.28Å; R150-Q153 WeakPolarHBondContact O-CB 3.37Å; R150-Q153 PolarHBondContact O-N 2.99Å; R150-E154 PolarHBondContact O-N 2.76Å; R150-E154 VanDerWaalsContact O-N 3.12Å
151L92.4Very high87.2Confident99 Ų9975.8 Ų75.852%0.51836%0.357SS..Hα-helixtrans-57.9-43.5176.8-69.4171.4000111.8S147 Q153 E154 E155S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 3.03Å; L151-Q153 PolarHBondContact O-N 2.78Å; L151-E154 PolarHBondContact O-N 2.83Å; L151-E154 VanDerWaalsContact O-N 3.07Å; L151-E155 PolarHBondContact O-N 2.98Å; L151-E155 VanDerWaalsContact O-N 3.09Å
152K89.9Confident86.7Confident48 Ų4880.6 Ų80.621%0.20938%0.38CS..Hα-helixtrans-64.5-23.7176.4-71.1176.7-172.6171.20114.2K50 V55 D148 Y149 R150K50-K152 PolarHBondContact O-NZ 2.95Å; V55-K152 PolarHBondContact O-NZ 2.81Å; D148-K152 WeakPolarHBondContact O-CG 3.46Å; D148-K152 PolarHBondContact O-N 2.9Å; D148-K152 IonicContact OD1-NZ 2.87Å; D148-K152 WeakPolarHBondContact OD2-CE 3.19Å; D148-K152 IonicContact OD2-NZ 3.25Å; D148-K152 PolarHBondContact OD2-NZ 3.06Å; Y149-K152 PolarHBondContact O-N 3.31Å; R150-K152 VanDerWaalsContact C-N 3.31Å; R150-K152 PolarHBondContact O-N 3.28Å
153Q88.3Confident86.1Confident71 Ų7185.6 Ų85.633%0.33240%0.403SS..Hα-helixtrans-81-30.6173.1-59.8-49.7-51.100112K53 Y149 R150 L151 K156K53-Q153 PolarHBondContact O-NE2 3.1Å; K53-Q153 VanDerWaalsContact O-NE2 3.15Å; Y149-Q153 HydrophobicContact CE1-CG 4.17Å; Y149-Q153 HydrophobicContact CE2-CG 4.09Å; Y149-Q153 WeakPolarHBondContact O-CG 3.26Å; Y149-Q153 PolarHBondContact O-N 2.82Å; R150-Q153 WeakPolarHBondContact O-CB 3.37Å; R150-Q153 PolarHBondContact O-N 2.99Å; L151-Q153 PolarHBondContact O-N 2.78Å; Q153-K156 WeakPolarHBondContact O-CB 3.47Å
154E85.4Confident85.3Confident132 Ų13286.1 Ų86.162%0.61741%0.408SS*.Hα-helixtrans-76.6-35.7-179.7-71.9176.3-171.800113.3R150 L151 K156 K157R150-E154 PolarHBondContact O-N 2.76Å; R150-E154 VanDerWaalsContact O-N 3.12Å; L151-E154 PolarHBondContact O-N 2.83Å; L151-E154 VanDerWaalsContact O-N 3.07Å; E154-K156 PolarHBondContact O-N 2.78Å; E154-K157 PolarHBondContact O-N 2.77Å
155E73.5Confident84.5Confident167 Ų16790.4 Ų90.478%0.7842%0.42SS*.THydrogen-bonded Turntrans-59.3-7.4174.4-72.8-178.9168.700114.2L151L151-E155 PolarHBondContact O-N 2.98Å; L151-E155 VanDerWaalsContact O-N 3.09Å
156K56.8Low83.5Confident167 Ų16797.9 Ų97.973%0.72646%0.455SS*.THydrogen-bonded Turntrans-89.4-7.6177.6-161.5-175.5171.5-169.80113.3Q153 E154Q153-K156 WeakPolarHBondContact O-CB 3.47Å; E154-K156 PolarHBondContact O-N 2.78Å
157K44.4Very low82.4Confident258 Ų258106.7 Ų106.7100%1.12250%0.496SS*.  trans-930-179.3-120.9-176.7-177.9-177.60111.9E154E154-K157 PolarHBondContact O-N 2.77Å

Retrieved 157 of 157 residues in 33 ms (Link to these results)