A0A5K4F554_SCHMA Loading...

Ribosome biogenesis protein slx9-like

AlphaFold DB , UniProt , Accession A0A5K4F554, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 211 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
1M39.5Very low63.4Low234 Ų234151.1 Ų151.1100%1.15377%0.769SS**  092.30-66.5-63.8175.200110.5K3M1-K3 PolarHBondContact O-N 2.95Å
2S53.2Low64.7Low117 Ų117156.3 Ų156.382%0.81877%0.772SS**  trans-82.3105.6177.2172.40000109.4N4S2-N4 PolarHBondContact O-N 2.59Å
3K57.1Low65.9Low188 Ų188154.8 Ų154.882%0.81775%0.752SS**  trans-68.9117177.2-67.8-179.8-179.7177.70108.9M1 K5M1-K3 PolarHBondContact O-N 2.95Å; K3-K5 PolarHBondContact O-N 3.08Å
4N55.4Low67.2Low155 Ų155152.9 Ų152.983%0.82974%0.738SS**  trans-52.695.3173.9-81.8-30.1000110.6S2 V6S2-N4 PolarHBondContact O-N 2.59Å; N4-V6 PolarHBondContact O-N 2.82Å
5K56.3Low68.3Low200 Ų200152.6 Ų152.687%0.8773%0.732SS**  trans-69.297172.5-78.9-175.2177.4-1800108.2K3 R7K3-K5 PolarHBondContact O-N 3.08Å; K5-R7 PolarHBondContact O-N 3.27Å
6V64.8Low69.3Low132 Ų132153.4 Ų153.480%0.873%0.727SS**  trans-55.5106.9167.1178.40000107.1N4 Q8N4-V6 PolarHBondContact O-N 2.82Å; V6-Q8 PolarHBondContact O-N 3.32Å
7R64.6Low70.1Confident219 Ų219150.5 Ų150.583%0.82671%0.711SS**  trans-70.799.9-170.7-159.4176.1-179.6-174.11.3108.3K5 H9K5-R7 PolarHBondContact O-N 3.27Å; R7-H9 PolarHBondContact O-N 3.45Å; R7-H9 VanDerWaalsContact O-N 3.09Å
8Q70.6Confident70.9Confident179 Ų179149.3 Ų149.384%0.83671%0.705SS**PPolyproline II helixtrans-53.7120.3178.2-69.8-150.13.700109.7V6V6-Q8 PolarHBondContact O-N 3.32Å
9H71.5Confident71.4Confident66 Ų66144.8 Ų144.831%0.30669%0.688SS.*PPolyproline II helixtrans-75.4139.1176.8-70.8-30.7000109.8R7 R13 K14 K17R7-H9 PolarHBondContact O-N 3.45Å; R7-H9 VanDerWaalsContact O-N 3.09Å; H9-R13 HydrophobicContact CB-CB 4.34Å; H9-R13 PolarHBondContact CE1-NH1 3.4Å; H9-K14 HydrophobicContact CB-CG 4.34Å; H9-K17 PolarHBondContact NE2-NZ 3.37Å
10S81.1Confident71.8Confident76 Ų76140.4 Ų140.453%0.53167%0.671SS.*PPolyproline II helixtrans-55.8147.517362.30000110.8R12 R13 K14S10-R12 PolarHBondContact O-N 3.37Å; S10-R12 VanDerWaalsContact O-N 3.16Å; S10-R13 WeakPolarHBondContact O-CA 3.34Å; S10-R13 WeakPolarHBondContact O-CB 3.44Å; S10-R13 PolarHBondContact O-N 2.91Å; S10-K14 PolarHBondContact O-N 2.72Å; S10-K14 VanDerWaalsContact O-N 3.13Å
11S82.9Confident72Confident96 Ų96139.8 Ų139.867%0.67167%0.667SS**Hα-helixtrans-48.3-42.3177.752.40000112.4R13 K14 K15S11-R13 VanDerWaalsContact C-N 3.32Å; S11-R13 PolarHBondContact O-N 3.23Å; S11-K14 PolarHBondContact O-N 2.98Å; S11-K15 PolarHBondContact O-N 2.91Å
12R79.7Confident73.8Confident213 Ų213132 Ų13280%0.80464%0.636SS**Hα-helixtrans-58.4-39.6175.6-171.4174-178.1164.12113.1S10 Y16S10-R12 PolarHBondContact O-N 3.37Å; S10-R12 VanDerWaalsContact O-N 3.16Å; R12-Y16 PolarHBondContact O-N 3.34Å; R12-Y16 VanDerWaalsContact O-N 3.12Å
13R80Confident74.7Confident137 Ų137134.7 Ų134.752%0.51763%0.628SS.*Hα-helixtrans-74.8-33.1-180-165.4176.5-172.5-172.61.2111.9H9 S10 S11 K17H9-R13 HydrophobicContact CB-CB 4.34Å; H9-R13 PolarHBondContact CE1-NH1 3.4Å; S10-R13 WeakPolarHBondContact O-CA 3.34Å; S10-R13 WeakPolarHBondContact O-CB 3.44Å; S10-R13 PolarHBondContact O-N 2.91Å; S11-R13 VanDerWaalsContact C-N 3.32Å; S11-R13 PolarHBondContact O-N 3.23Å; R13-K17 PolarHBondContact O-N 3.47Å; R13-K17 VanDerWaalsContact O-N 3.09Å
14K84.4Confident75.3Confident128 Ų128131 Ų13156%0.55762%0.621SS**Hα-helixtrans-62.5-51.8172-69.8-173.3179.7-177.20110.8H9 S10 S11 Y16 K17 E18H9-K14 HydrophobicContact CB-CG 4.34Å; S10-K14 PolarHBondContact O-N 2.72Å; S10-K14 VanDerWaalsContact O-N 3.13Å; S11-K14 PolarHBondContact O-N 2.98Å; K14-Y16 VanDerWaalsContact C-N 3.3Å; K14-Y16 PolarHBondContact O-N 3.11Å; K14-K17 PolarHBondContact O-N 3.3Å; K14-K17 VanDerWaalsContact O-N 3.09Å; K14-E18 PolarHBondContact O-N 2.89Å
15K83.9Confident76.1Confident149 Ų149129.7 Ų129.765%0.64861%0.614SS**Hα-helixtrans-55.5-42.1175.8-73.5-170.5176.3-1720112.8S11 E18 V19S11-K15 PolarHBondContact O-N 2.91Å; K15-E18 PolarHBondContact O-N 2.9Å; K15-V19 WeakPolarHBondContact O-CG2 3.48Å; K15-V19 PolarHBondContact O-N 2.63Å; K15-V19 VanDerWaalsContact O-N 3.07Å
16Y83.5Confident76.7Confident166 Ų166122.4 Ų122.465%0.65159%0.588SS**Hα-helixtrans-64.5-42.8177.3-178.6-98000112.6R12 K14 E18 V19 V20R12-Y16 PolarHBondContact O-N 3.34Å; R12-Y16 VanDerWaalsContact O-N 3.12Å; K14-Y16 VanDerWaalsContact C-N 3.3Å; K14-Y16 PolarHBondContact O-N 3.11Å; Y16-E18 VanDerWaalsContact C-N 3.31Å; Y16-E18 PolarHBondContact O-N 3.47Å; Y16-V19 PolarHBondContact O-N 3.42Å; Y16-V20 HydrophobicContact CD1-CG2 4.15Å; Y16-V20 HydrophobicContact CE1-CG2 3.72Å; Y16-V20 HydrophobicContact CE2-CG2 4.27Å; Y16-V20 VanDerWaalsContact O-CG2 3.31Å; Y16-V20 WeakPolarHBondContact O-CG2 3.47Å; Y16-V20 PolarHBondContact O-N 3.28Å
17K82.6Confident76.9Confident103 Ų103126.2 Ų126.245%0.44859%0.594SS.*Hα-helixtrans-61.4-41.5176.8-82.2-173.2170.8-173.40111.7H9 R13 K14 V20 Q21H9-K17 PolarHBondContact NE2-NZ 3.37Å; R13-K17 PolarHBondContact O-N 3.47Å; R13-K17 VanDerWaalsContact O-N 3.09Å; K14-K17 PolarHBondContact O-N 3.3Å; K14-K17 VanDerWaalsContact O-N 3.09Å; K17-V20 PolarHBondContact O-N 2.84Å; K17-Q21 PolarHBondContact O-N 3.4Å
18E85.1Confident76.9Confident129 Ų129120.5 Ų120.560%0.60358%0.584SS**Hα-helixtrans-63.1-45.1178.6-168.7175.1-170.900112K14 K15 Y16 V20 Q21 S22K14-E18 PolarHBondContact O-N 2.89Å; K15-E18 PolarHBondContact O-N 2.9Å; Y16-E18 VanDerWaalsContact C-N 3.31Å; Y16-E18 PolarHBondContact O-N 3.47Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 2.9Å; E18-Q21 PolarHBondContact O-N 2.65Å; E18-S22 PolarHBondContact O-N 3.42Å; E18-S22 PolarHBondContact O-OG 2.9Å
19V81.1Confident76.6Confident64 Ų64117.5 Ų117.539%0.38858%0.58SS.*Hα-helixtrans-63.9-34.7174.51730000112.3K15 Y16 S22 R23K15-V19 WeakPolarHBondContact O-CG2 3.48Å; K15-V19 PolarHBondContact O-N 2.63Å; K15-V19 VanDerWaalsContact O-N 3.07Å; Y16-V19 PolarHBondContact O-N 3.42Å; V19-S22 PolarHBondContact O-OG 2.95Å; V19-R23 WeakPolarHBondContact O-CD 3.33Å; V19-R23 VanDerWaalsContact O-CG 3.22Å; V19-R23 WeakPolarHBondContact O-CG 3.39Å; V19-R23 PolarHBondContact O-N 2.86Å
20V77.9Confident75.9Confident57 Ų57118.6 Ų118.635%0.34559%0.591SS.*Hα-helixtrans-70.4-44.5175.7171.40000110.4Y16 K17 E18 S22 R23 V24Y16-V20 HydrophobicContact CD1-CG2 4.15Å; Y16-V20 HydrophobicContact CE1-CG2 3.72Å; Y16-V20 HydrophobicContact CE2-CG2 4.27Å; Y16-V20 VanDerWaalsContact O-CG2 3.31Å; Y16-V20 WeakPolarHBondContact O-CG2 3.47Å; Y16-V20 PolarHBondContact O-N 3.28Å; K17-V20 PolarHBondContact O-N 2.84Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 2.9Å; V20-S22 PolarHBondContact O-N 3.46Å; V20-R23 PolarHBondContact O-N 3Å; V20-V24 HydrophobicContact CG1-CG2 4.39Å; V20-V24 WeakPolarHBondContact O-CG2 3.36Å; V20-V24 PolarHBondContact O-N 3.17Å
21Q77.9Confident74.6Confident127 Ų127123.2 Ų123.259%0.59360%0.604SS**Hα-helixtrans-62.8-40.9177.6-80.8175.7-34.900112.1K17 E18 R23 V24 N25K17-Q21 PolarHBondContact O-N 3.4Å; E18-Q21 PolarHBondContact O-N 2.65Å; Q21-R23 VanDerWaalsContact C-N 3.3Å; Q21-R23 PolarHBondContact O-N 3.06Å; Q21-V24 PolarHBondContact O-N 3.04Å; Q21-N25 WeakPolarHBondContact O-CB 3.35Å; Q21-N25 PolarHBondContact O-N 3.19Å; Q21-N25 PolarHBondContact O-ND2 2.87Å
22S75.9Confident73.3Confident70 Ų70128.6 Ų128.649%0.4961%0.611SS.*Hα-helixtrans-63.8-35.7176.166.50000112.7E18 V19 V20 S26E18-S22 PolarHBondContact O-N 3.42Å; E18-S22 PolarHBondContact O-OG 2.9Å; V19-S22 PolarHBondContact O-OG 2.95Å; V20-S22 PolarHBondContact O-N 3.46Å; S22-S26 WeakPolarHBondContact O-CB 3.46Å; S22-S26 PolarHBondContact O-N 3.39Å
23R72.4Confident71.9Confident174 Ų174124 Ų12466%0.65761%0.607SS**Hα-helixtrans-72.2-31.9174.4-71.5172.7-174.4-1671.2113.9V19 V20 Q21 S26V19-R23 WeakPolarHBondContact O-CD 3.33Å; V19-R23 VanDerWaalsContact O-CG 3.22Å; V19-R23 WeakPolarHBondContact O-CG 3.39Å; V19-R23 PolarHBondContact O-N 2.86Å; V20-R23 PolarHBondContact O-N 3Å; Q21-R23 VanDerWaalsContact C-N 3.3Å; Q21-R23 PolarHBondContact O-N 3.06Å; R23-S26 PolarHBondContact O-OG 3.46Å
24V70Confident70.6Confident111 Ų111128.3 Ų128.367%0.67362%0.623SS**Hα-helixtrans-72.6-36.8175.2172.30000110.3V20 Q21V20-V24 HydrophobicContact CG1-CG2 4.39Å; V20-V24 WeakPolarHBondContact O-CG2 3.36Å; V20-V24 PolarHBondContact O-N 3.17Å; Q21-V24 PolarHBondContact O-N 3.04Å
25N72.9Confident69.3Low128 Ų128133 Ų13368%0.68464%0.637SS**Hα-helixtrans-81.9-15.1-179.5-65.4-11.1000113.5Q21 K27Q21-N25 WeakPolarHBondContact O-CB 3.35Å; Q21-N25 PolarHBondContact O-N 3.19Å; Q21-N25 PolarHBondContact O-ND2 2.87Å; N25-K27 PolarHBondContact O-N 2.98Å
26S69Low68.2Low47 Ų47133.4 Ų133.433%0.32965%0.646SS.*  trans-70.4115.917760.40000110.1S22 R23 T28S22-S26 WeakPolarHBondContact O-CB 3.46Å; S22-S26 PolarHBondContact O-N 3.39Å; R23-S26 PolarHBondContact O-OG 3.46Å; S26-T28 PolarHBondContact O-N 3.22Å; S26-T28 VanDerWaalsContact O-N 3.11Å
27K68.5Low67.3Low211 Ų211132.6 Ų132.692%0.91765%0.645SS**  trans-65.6-5.1175.1-67.1-178.7179.6179.50113.8N25N25-K27 PolarHBondContact O-N 2.98Å
28T64.4Low66.6Low99 Ų99131.4 Ų131.461%0.60765%0.647SS**SBendtrans-75.9125.2179.7480000109.7S26 V30S26-T28 PolarHBondContact O-N 3.22Å; S26-T28 VanDerWaalsContact O-N 3.11Å; T28-V30 PolarHBondContact O-N 3.29Å; T28-V30 VanDerWaalsContact O-N 3.15Å
29P64.2Low65.8Low116 Ų116133.8 Ų133.875%0.75366%0.655SS**  trans-61121.717724-32.1000109.3Q31P29-Q31 PolarHBondContact O-N 2.92Å
30V57.2Low65.1Low89 Ų89139 Ų13954%0.53967%0.672SS.*  trans-69.5100.6175.2179.40000107.7T28 Y32T28-V30 PolarHBondContact O-N 3.29Å; T28-V30 VanDerWaalsContact O-N 3.15Å; V30-Y32 HydrophobicContact CB-CE2 4.3Å; V30-Y32 HydrophobicContact CG1-CD2 4.43Å; V30-Y32 HydrophobicContact CG1-CE1 4.35Å; V30-Y32 HydrophobicContact CG1-CE2 4.15Å; V30-Y32 WeakPolarHBondContact O-CD2 3.39Å; V30-Y32 PolarHBondContact O-N 2.95Å
31Q53.4Low64.3Low173 Ų173141.4 Ų141.481%0.80868%0.68SS**  trans-66.799.7171.5-75.8-177.1-1900109.1P29 T33P29-Q31 PolarHBondContact O-N 2.92Å; Q31-T33 PolarHBondContact O-N 2.94Å
32Y54.9Low63.7Low210 Ų210142.4 Ų142.482%0.82468%0.682SS**  trans-70.493.3169.4-69.7-82.4000108.9V30 R34V30-Y32 HydrophobicContact CB-CE2 4.3Å; V30-Y32 HydrophobicContact CG1-CD2 4.43Å; V30-Y32 HydrophobicContact CG1-CE1 4.35Å; V30-Y32 HydrophobicContact CG1-CE2 4.15Å; V30-Y32 WeakPolarHBondContact O-CD2 3.39Å; V30-Y32 PolarHBondContact O-N 2.95Å; Y32-R34 PolarHBondContact O-N 2.99Å
33T51.2Low63.1Low115 Ų115147.3 Ų147.371%0.70670%0.695SS**  trans-66.1122.2167.255.10000108.4Q31 R35Q31-T33 PolarHBondContact O-N 2.94Å; T33-R35 VanDerWaalsContact C-N 3.33Å; T33-R35 PolarHBondContact O-N 3.39Å
34R51.8Low62.4Low228 Ų228145.5 Ų145.586%0.8670%0.698SS**  trans-58.695.6175.2-174.8-178.972.3-171.81.1108.3Y32 L36Y32-R34 PolarHBondContact O-N 2.99Å; R34-L36 PolarHBondContact O-N 3.48Å
35R57.8Low61.7Low228 Ų228148.5 Ų148.586%0.8670%0.702SS**PPolyproline II helixtrans-53.9119.2179.9-74.3-175.6165.9-152.8-5.8109.2T33 K37T33-R35 VanDerWaalsContact C-N 3.33Å; T33-R35 PolarHBondContact O-N 3.39Å; R35-K37 PolarHBondContact O-N 3.31Å
36L60.5Low60.9Low157 Ų157150.3 Ų150.382%0.82271%0.711SS**PPolyproline II helixtrans-51.7128.3171.7-70.7170.1000108.4R34 T38R34-L36 PolarHBondContact O-N 3.48Å; L36-T38 PolarHBondContact O-N 2.78Å; L36-T38 VanDerWaalsContact O-N 3.12Å
37K65.3Low60.2Low148 Ų148155.2 Ų155.264%0.64373%0.732SS**PPolyproline II helixtrans-57.3121.7-178.1-69.3-151.2-180-168.50109.4R35 H41 K42R35-K37 PolarHBondContact O-N 3.31Å; K37-H41 HydrophobicContact CB-CB 4.13Å; K37-H41 HydrophobicContact CD-CB 4.26Å; K37-K42 HydrophobicContact CB-CG 4.36Å; K37-K42 WeakPolarHBondContact O-CE 3.24Å
38T67.2Low59.6Low78 Ų78147.8 Ų147.848%0.47972%0.715SS.*PPolyproline II helixtrans-61.4156.3178.168.40000110.7L36 K40 H41 K42L36-T38 PolarHBondContact O-N 2.78Å; L36-T38 VanDerWaalsContact O-N 3.12Å; T38-K40 PolarHBondContact O-N 2.88Å; T38-H41 WeakPolarHBondContact O-CA 3.46Å; T38-H41 WeakPolarHBondContact O-CB 3.28Å; T38-H41 PolarHBondContact O-N 3.36Å; T38-H41 PolarHBondContact OG1-CE1 2.94Å; T38-H41 PolarHBondContact OG1-ND1 3.43Å; T38-K42 PolarHBondContact O-N 2.96Å; T38-K42 VanDerWaalsContact O-N 3.15Å
39K67.3Low59.2Low179 Ų179146.9 Ų146.978%0.77872%0.718SS**Hα-helixtrans-50.4-35.1-178.9-162.1174.5-175.8176.40112.7H41 K42 K43K39-H41 PolarHBondContact O-N 3.35Å; K39-K42 PolarHBondContact O-N 3.14Å; K39-K43 PolarHBondContact O-N 3.41Å
40K67Low58.6Low173 Ų173147.7 Ų147.775%0.75272%0.716SS**Hα-helixtrans-60-42.1174.5-172.5176.4-178.9177.30113T38T38-K40 PolarHBondContact O-N 2.88Å
41H61.5Low58.4Low109 Ų109148.8 Ų148.851%0.50572%0.718SS.*Hα-helixtrans-74.5-31.6177.4-62.899.9000112.4K37 T38 K39K37-H41 HydrophobicContact CB-CB 4.13Å; K37-H41 HydrophobicContact CD-CB 4.26Å; T38-H41 WeakPolarHBondContact O-CA 3.46Å; T38-H41 WeakPolarHBondContact O-CB 3.28Å; T38-H41 PolarHBondContact O-N 3.36Å; T38-H41 PolarHBondContact OG1-CE1 2.94Å; T38-H41 PolarHBondContact OG1-ND1 3.43Å; K39-H41 PolarHBondContact O-N 3.35Å
42K65.3Low58.6Low147 Ų147144.7 Ų144.764%0.63971%0.709SS**Hα-helixtrans-68.4-34.1175-67.9-172.9179.6-175.70112.4K37 T38 K39 L44K37-K42 HydrophobicContact CB-CG 4.36Å; K37-K42 WeakPolarHBondContact O-CE 3.24Å; T38-K42 PolarHBondContact O-N 2.96Å; T38-K42 VanDerWaalsContact O-N 3.15Å; K39-K42 PolarHBondContact O-N 3.14Å; K42-L44 PolarHBondContact O-N 3.02Å; K42-L44 VanDerWaalsContact O-N 3.08Å
43K64Low58.6Low174 Ų174139.7 Ų139.776%0.75770%0.696SS**G310 helixtrans-60.9-15.1-179.6-101.8-170.8173.4-170.50115.3K39 K45K39-K43 PolarHBondContact O-N 3.41Å; K43-K45 VanDerWaalsContact C-N 3.33Å; K43-K45 PolarHBondContact O-N 3.34Å
44L57.8Low58.7Low136 Ų136139 Ų13971%0.71269%0.688SS**G310 helixtrans-86.212-174.7-69.2171.8000115.1K42K42-L44 PolarHBondContact O-N 3.02Å; K42-L44 VanDerWaalsContact O-N 3.08Å
45K54.9Low58.7Low174 Ų174136 Ų13676%0.75768%0.684SS**G310 helixtrans-110.3-0.5-174.2-73.8-149.3174.4-166.10117.4K43 I47K43-K45 VanDerWaalsContact C-N 3.33Å; K43-K45 PolarHBondContact O-N 3.34Å; K45-I47 VanDerWaalsContact C-N 3.26Å; K45-I47 PolarHBondContact O-N 2.92Å
46N55.4Low58.7Low165 Ų165131 Ų13188%0.88267%0.673SS**  trans-91.762.2170.2-74.918.1000110.2G48N46-G48 PolarHBondContact O-N 3.09Å
47I55.3Low58.4Low151 Ų151132.4 Ų132.477%0.77467%0.669SS**  trans-87.2100.8158.6-60.3169.5000103.7K45 A49K45-I47 VanDerWaalsContact C-N 3.26Å; K45-I47 PolarHBondContact O-N 2.92Å; I47-A49 PolarHBondContact O-N 3.49Å
48G55.1Low57.8Low55 Ų55131 Ų13157%0.56767%0.668SS**  trans-52.3133.3174.200000109.2N46 N50N46-G48 PolarHBondContact O-N 3.09Å; G48-N50 VanDerWaalsContact C-N 3.29Å; G48-N50 PolarHBondContact O-N 3.34Å
49A56.8Low57Low79 Ų79136.4 Ų136.465%0.65368%0.68SS**  trans-65.194174.600000108I47 N51I47-A49 PolarHBondContact O-N 3.49Å; A49-N51 PolarHBondContact O-N 3.21Å
50N51.4Low56.2Low133 Ų133132.6 Ų132.671%0.71167%0.673SS**  trans-69.588167-78.4-8.6000107.1G48 S52G48-N50 VanDerWaalsContact C-N 3.29Å; G48-N50 PolarHBondContact O-N 3.34Å; N50-S52 PolarHBondContact O-N 3.37Å
51N53.1Low55.9Low112 Ų112130 Ų13060%0.59967%0.674SS**G310 helixtrans-66.5-8.4179.6-70-18.2000113.1A49 N53 L54A49-N51 PolarHBondContact O-N 3.21Å; N51-N53 PolarHBondContact O-N 2.87Å; N51-N53 VanDerWaalsContact O-N 3.16Å; N51-L54 PolarHBondContact O-N 2.89Å
52S57Low55.7Low87 Ų87132.2 Ų132.261%0.60868%0.682SS**G310 helixtrans-61.2-23.6-178.755.20000114.4N50N50-S52 PolarHBondContact O-N 3.37Å
53N55.7Low55Low105 Ų105129.7 Ų129.756%0.56169%0.689SS**G310 helixtrans-87.9-12.1-178.7-75.7-21.7000114.4N51 Y57N51-N53 PolarHBondContact O-N 2.87Å; N51-N53 VanDerWaalsContact O-N 3.16Å; N53-Y57 VanDerWaalsContact O-CD2 3.29Å; N53-Y57 WeakPolarHBondContact O-CD2 3.3Å; N53-Y57 WeakPolarHBondContact O-CE2 3.36Å
54L52.6Low54.3Low102 Ų102127.2 Ų127.253%0.53468%0.684SS.*THydrogen-bonded Turntrans-80.6-27.3-176.8-99.2147.4000113.1N51 I56 Y57N51-L54 PolarHBondContact O-N 2.89Å; L54-I56 VanDerWaalsContact C-N 3.29Å; L54-I56 PolarHBondContact O-N 3.28Å; L54-Y57 PolarHBondContact O-N 3.21Å
55E51.9Low54.2Low164 Ų164126.7 Ų126.777%0.76668%0.682SS**THydrogen-bonded Turntrans-67.6-27.9179.4-70.1-165.5168.400113.4Y57 N58E55-Y57 PolarHBondContact O-N 2.88Å; E55-N58 PolarHBondContact O-N 3.09Å
56I58.3Low54.4Low124 Ų124127.2 Ų127.264%0.63669%0.687SS**THydrogen-bonded Turntrans-63.3-31.5179.8-59.4174.9000111.3L54L54-I56 VanDerWaalsContact C-N 3.29Å; L54-I56 PolarHBondContact O-N 3.28Å
57Y54.2Low54.6Low186 Ų186125.4 Ų125.473%0.72968%0.678SS**THydrogen-bonded Turntrans-97.3-13.8-173.5-60.6-76.7000114.1N53 L54 E55N53-Y57 VanDerWaalsContact O-CD2 3.29Å; N53-Y57 WeakPolarHBondContact O-CD2 3.3Å; N53-Y57 WeakPolarHBondContact O-CE2 3.36Å; L54-Y57 PolarHBondContact O-N 3.21Å; E55-Y57 PolarHBondContact O-N 2.88Å
58N51.8Low55.1Low119 Ų119126.2 Ų126.264%0.63667%0.672SS**  trans-109.614.7-173.2-72.2-25.8000113.7E55 P60E55-N58 PolarHBondContact O-N 3.09Å; N58-P60 VanDerWaalsContact O-CD 3.27Å; N58-P60 WeakPolarHBondContact O-CD 3.46Å
59R50.7Low55.7Low190 Ų190126.1 Ų126.172%0.71766%0.66SS**  trans-80.9115.5171.8-156.3175.7-147.9174.59.8109.2
60P51.2Low56.5Low99 Ų99125.5 Ų125.564%0.64365%0.649SS**PPolyproline II helixtrans-61.1147.6176.622.7-30.3000110.5N58 K62N58-P60 VanDerWaalsContact O-CD 3.27Å; N58-P60 WeakPolarHBondContact O-CD 3.46Å; P60-K62 PolarHBondContact O-N 3.28Å
61P60.5Low57.6Low118 Ų118122.6 Ų122.677%0.76664%0.644SS**PPolyproline II helixtrans-56.7125178.4-18.329.7000109.5A63P61-A63 PolarHBondContact O-N 2.98Å
62K56.9Low58.5Low156 Ų156121.3 Ų121.368%0.67864%0.644SS**PPolyproline II helixtrans-71.6128.1175.1-73-174.4175.4-172.20107.8P60 N64P60-K62 PolarHBondContact O-N 3.28Å; K62-N64 PolarHBondContact O-N 3.2Å
63A50.3Low59.4Low95 Ų95121.7 Ų121.779%0.78564%0.635SS**SBendtrans-65.415-161.200000118P61P61-A63 PolarHBondContact O-N 2.98Å
64N48.6Very low60.4Low121 Ų121122.2 Ų122.265%0.64763%0.632SS**  trans-122.179.7176.3-63.5-1.3000108.6K62 E66 D67K62-N64 PolarHBondContact O-N 3.2Å; N64-E66 PolarHBondContact O-N 3.48Å; N64-D67 PolarHBondContact O-N 3.37Å
65D57.3Low61.3Low125 Ų125122.2 Ų122.267%0.66863%0.629SS**G310 helixtrans-65.8-16.8178-82.5-26.4000112.8D67 Y68D65-D67 PolarHBondContact O-N 3.06Å; D65-Y68 WeakPolarHBondContact O-CB 3.47Å; D65-Y68 PolarHBondContact O-N 3Å; D65-Y68 VanDerWaalsContact O-N 3.08Å
66E58.5Low62.5Low186 Ų186118.8 Ų118.887%0.86961%0.614SS**G310 helixtrans-61.9-26.8177.5-64.5-63.8157.100113N64N64-E66 PolarHBondContact O-N 3.48Å
67D58.9Low63.4Low127 Ų127116.6 Ų116.668%0.67960%0.603SS**G310 helixtrans-97.69.6178.4-64.9-39.1000112.9N64 D65 V69N64-D67 PolarHBondContact O-N 3.37Å; D65-D67 PolarHBondContact O-N 3.06Å; D67-V69 VanDerWaalsContact C-N 3.28Å; D67-V69 PolarHBondContact O-N 3.44Å
68Y65.6Low64.4Low168 Ų168111.5 Ų111.566%0.65959%0.588SS**  trans-72.685.5178.9-172.8-97.7000111D65 P70D65-Y68 WeakPolarHBondContact O-CB 3.47Å; D65-Y68 PolarHBondContact O-N 3Å; D65-Y68 VanDerWaalsContact O-N 3.08Å; Y68-P70 VanDerWaalsContact O-CD 3.3Å; Y68-P70 WeakPolarHBondContact O-CD 3.38Å
69V68.4Low65.5Low53 Ų53111.6 Ų111.632%0.32159%0.587SS.*  trans-76.2117.3170.2-179.40000108.9D67 F73 K74D67-V69 VanDerWaalsContact C-N 3.28Å; D67-V69 PolarHBondContact O-N 3.44Å; V69-F73 HydrophobicContact CG1-CB 3.86Å; V69-F73 HydrophobicContact CG1-CD1 3.35Å; V69-F73 HydrophobicContact CG1-CE1 4.26Å; V69-F73 HydrophobicContact CG1-CG 4.01Å; V69-K74 HydrophobicContact CB-CG 4.28Å; V69-K74 HydrophobicContact CG1-CG 3.78Å; V69-K74 WeakPolarHBondContact O-CE 3.38Å
70P73.6Confident66.7Low65 Ų65111.2 Ų111.242%0.42259%0.59SS.*  trans-55.6145-179.7-26.435.6000112.2Y68 S72 F73 K74Y68-P70 VanDerWaalsContact O-CD 3.3Å; Y68-P70 WeakPolarHBondContact O-CD 3.38Å; P70-S72 PolarHBondContact O-N 3.44Å; P70-S72 VanDerWaalsContact O-N 3.13Å; P70-F73 WeakPolarHBondContact O-CB 3.4Å; P70-F73 PolarHBondContact O-N 3.13Å; P70-K74 PolarHBondContact O-N 3.16Å; P70-K74 VanDerWaalsContact O-N 3.15Å
71A73.7Confident68.1Low73 Ų73111.7 Ų111.760%0.60358%0.584SS**Hα-helixtrans-55.6-35.2-17700000113F73 K74 Q75A71-F73 VanDerWaalsContact C-N 3.33Å; A71-F73 PolarHBondContact O-N 2.86Å; A71-K74 PolarHBondContact O-N 3.06Å; A71-Q75 WeakPolarHBondContact O-CB 3.36Å; A71-Q75 PolarHBondContact O-N 2.62Å
72S73.6Confident68.4Low84 Ų84109.3 Ų109.359%0.58758%0.581SS**Hα-helixtrans-61-39.6174.853.10000112.7P70 Q75 M76P70-S72 PolarHBondContact O-N 3.44Å; P70-S72 VanDerWaalsContact O-N 3.13Å; S72-Q75 PolarHBondContact O-N 3.24Å; S72-M76 PolarHBondContact O-N 3.02Å
73F75.4Confident68.5Low96 Ų96108.6 Ų108.642%0.42158%0.577SS.*Hα-helixtrans-71.8-40.8179.1-168.8-93.5000111.6V69 P70 A71 Q75 M76 L77V69-F73 HydrophobicContact CG1-CB 3.86Å; V69-F73 HydrophobicContact CG1-CD1 3.35Å; V69-F73 HydrophobicContact CG1-CE1 4.26Å; V69-F73 HydrophobicContact CG1-CG 4.01Å; P70-F73 WeakPolarHBondContact O-CB 3.4Å; P70-F73 PolarHBondContact O-N 3.13Å; A71-F73 VanDerWaalsContact C-N 3.33Å; A71-F73 PolarHBondContact O-N 2.86Å; F73-Q75 VanDerWaalsContact C-N 3.28Å; F73-Q75 PolarHBondContact O-N 3.36Å; F73-M76 HydrophobicContact CD2-CE 3.27Å; F73-M76 HydrophobicContact CE2-CE 3.59Å; F73-M76 HydrophobicContact CG-CE 4.11Å; F73-M76 PolarHBondContact O-N 3.41Å; F73-L77 HydrophobicContact CD1-CD1 3.74Å; F73-L77 HydrophobicContact CD1-CG 4.21Å; F73-L77 HydrophobicContact CE1-CD1 3.5Å; F73-L77 HydrophobicContact CE1-CG 3.99Å; F73-L77 HydrophobicContact CZ-CD1 4.45Å; F73-L77 PolarHBondContact O-N 3.36Å
74K75.4Confident68.4Low115 Ų115110.3 Ų110.350%0.556%0.564SS.*Hα-helixtrans-58.7-41.8171.6-66.6-174.1-178.4178.40111.6V69 P70 A71 L77 L78V69-K74 HydrophobicContact CB-CG 4.28Å; V69-K74 HydrophobicContact CG1-CG 3.78Å; V69-K74 WeakPolarHBondContact O-CE 3.38Å; P70-K74 PolarHBondContact O-N 3.16Å; P70-K74 VanDerWaalsContact O-N 3.15Å; A71-K74 PolarHBondContact O-N 3.06Å; K74-L77 PolarHBondContact O-N 3.3Å; K74-L78 WeakPolarHBondContact O-CG 3.38Å; K74-L78 PolarHBondContact O-N 3.04Å
75Q72.3Confident68.8Low102 Ų102113.3 Ų113.348%0.47757%0.571SS.*Hα-helixtrans-64-43.2177.5-171.8175.96.400111.9A71 S72 F73 L78 M79A71-Q75 WeakPolarHBondContact O-CB 3.36Å; A71-Q75 PolarHBondContact O-N 2.62Å; S72-Q75 PolarHBondContact O-N 3.24Å; F73-Q75 VanDerWaalsContact C-N 3.28Å; F73-Q75 PolarHBondContact O-N 3.36Å; Q75-L78 PolarHBondContact O-N 2.86Å; Q75-M79 WeakPolarHBondContact O-CG 3.49Å; Q75-M79 PolarHBondContact O-N 3.14Å
76M76.9Confident68.5Low93 Ų93110.8 Ų110.846%0.45856%0.561SS.*Hα-helixtrans-63.3-42.3176.6176.9178.942.800112.4S72 F73 M79 K80S72-M76 PolarHBondContact O-N 3.02Å; F73-M76 HydrophobicContact CD2-CE 3.27Å; F73-M76 HydrophobicContact CE2-CE 3.59Å; F73-M76 HydrophobicContact CG-CE 4.11Å; F73-M76 PolarHBondContact O-N 3.41Å; M76-M79 PolarHBondContact O-N 2.91Å; M76-K80 PolarHBondContact O-N 2.92Å
77L76.7Confident68.2Low77 Ų77109.4 Ų109.440%0.40356%0.559SS.*Hα-helixtrans-61.3-44.8175.3-77.9171.9000111.7F73 K74 M79 K80 E81F73-L77 HydrophobicContact CD1-CD1 3.74Å; F73-L77 HydrophobicContact CD1-CG 4.21Å; F73-L77 HydrophobicContact CE1-CD1 3.5Å; F73-L77 HydrophobicContact CE1-CG 3.99Å; F73-L77 HydrophobicContact CZ-CD1 4.45Å; F73-L77 PolarHBondContact O-N 3.36Å; K74-L77 PolarHBondContact O-N 3.3Å; L77-M79 VanDerWaalsContact C-N 3.27Å; L77-M79 PolarHBondContact O-N 3.1Å; L77-K80 PolarHBondContact O-N 3.14Å; L77-K80 VanDerWaalsContact O-N 3.14Å; L77-E81 PolarHBondContact O-N 3.34Å
78L76.8Confident67.3Low79 Ų79108.7 Ų108.741%0.41456%0.555SS.*Hα-helixtrans-61.7-34.4176.2-76.8164.5000112.9K74 Q75 G82 K83 W84K74-L78 WeakPolarHBondContact O-CG 3.38Å; K74-L78 PolarHBondContact O-N 3.04Å; Q75-L78 PolarHBondContact O-N 2.86Å; L78-G82 PolarHBondContact O-N 3.01Å; L78-K83 HydrophobicContact CD2-CB 4.47Å; L78-K83 PolarHBondContact O-N 3.11Å; L78-W84 PolarHBondContact O-N 3Å
79M74.1Confident66.2Low122 Ų122105.9 Ų105.960%0.60155%0.551SS**Hα-helixtrans-69.1-42.5173-72-179.37400111.9Q75 M76 L77 E81 G82 W84Q75-M79 WeakPolarHBondContact O-CG 3.49Å; Q75-M79 PolarHBondContact O-N 3.14Å; M76-M79 PolarHBondContact O-N 2.91Å; L77-M79 VanDerWaalsContact C-N 3.27Å; L77-M79 PolarHBondContact O-N 3.1Å; M79-E81 VanDerWaalsContact C-N 3.35Å; M79-E81 PolarHBondContact O-N 3.13Å; M79-G82 PolarHBondContact O-N 3.45Å; M79-W84 HydrophobicContact CG-CB 4.44Å; M79-W84 HydrophobicContact CG-CG 4.29Å
80K76.9Confident65.2Low181 Ų181110 Ų11079%0.78758%0.579SS**Hα-helixtrans-64.7-36.3176.2-82.5-160.2175-1700113M76 L77 G82M76-K80 PolarHBondContact O-N 2.92Å; L77-K80 PolarHBondContact O-N 3.14Å; L77-K80 VanDerWaalsContact O-N 3.14Å; K80-G82 PolarHBondContact O-N 3.06Å
81E79.3Confident63.8Low110 Ų110111.3 Ų111.351%0.51460%0.596SS.*THydrogen-bonded Turntrans-76.9-3.9178-71.3-174-162.900113.7L77 M79 K83L77-E81 PolarHBondContact O-N 3.34Å; M79-E81 VanDerWaalsContact C-N 3.35Å; M79-E81 PolarHBondContact O-N 3.13Å; E81-K83 HydrophobicContact CB-CD 4.33Å; E81-K83 HydrophobicContact CB-CG 4.28Å; E81-K83 PolarHBondContact O-N 3.45Å; E81-K83 VanDerWaalsContact O-N 3.13Å; E81-K83 WeakPolarHBondContact OE2-CE 3.31Å; E81-K83 IonicContact OE2-NZ 2.8Å; E81-K83 PolarHBondContact OE2-NZ 2.93Å
82G66.8Low62.2Low68 Ų68113.2 Ų113.270%0.70160%0.6SS**THydrogen-bonded Turntrans67.88-177.800000114.4L78 M79 K80 W84L78-G82 PolarHBondContact O-N 3.01Å; M79-G82 PolarHBondContact O-N 3.45Å; K80-G82 PolarHBondContact O-N 3.06Å; G82-W84 VanDerWaalsContact C-N 3.32Å
83K60.2Low60.5Low140 Ų140112.1 Ų112.161%0.60960%0.601SS**  trans-92.113.8-178.6-63.7176.8-168.4154.90113.1L78 E81 K85L78-K83 HydrophobicContact CD2-CB 4.47Å; L78-K83 PolarHBondContact O-N 3.11Å; E81-K83 HydrophobicContact CB-CD 4.33Å; E81-K83 HydrophobicContact CB-CG 4.28Å; E81-K83 PolarHBondContact O-N 3.45Å; E81-K83 VanDerWaalsContact O-N 3.13Å; E81-K83 WeakPolarHBondContact OE2-CE 3.31Å; E81-K83 IonicContact OE2-NZ 2.8Å; E81-K83 PolarHBondContact OE2-NZ 2.93Å; K83-K85 PolarHBondContact O-N 3.09Å
84W47.2Very low58.7Low131 Ų131112.1 Ų112.150%0.49661%0.606SS.*  trans-70.196.2179.3-16682.7000110.4L78 M79 G82 P86L78-W84 PolarHBondContact O-N 3Å; M79-W84 HydrophobicContact CG-CB 4.44Å; M79-W84 HydrophobicContact CG-CG 4.29Å; G82-W84 VanDerWaalsContact C-N 3.32Å; W84-P86 HydrophobicContact CE3-CG 4.35Å; W84-P86 HydrophobicContact CH2-CB 3.57Å; W84-P86 HydrophobicContact CH2-CG 3.98Å; W84-P86 HydrophobicContact CZ2-CB 4.07Å; W84-P86 HydrophobicContact CZ3-CB 3.83Å; W84-P86 HydrophobicContact CZ3-CG 3.71Å
85K56.2Low57.2Low184 Ų184113.3 Ų113.380%0.862%0.622SS**  trans-90.8126.9157.4-68-176.4179.2-1790106.4K83 L87K83-K85 PolarHBondContact O-N 3.09Å; K85-L87 PolarHBondContact O-N 3.04Å
86P52.9Low55.9Low72 Ų72115.3 Ų115.347%0.46863%0.63SS.*  trans-56.2111.4174.95.6-6.2000107.3W84 L88W84-P86 HydrophobicContact CE3-CG 4.35Å; W84-P86 HydrophobicContact CH2-CB 3.57Å; W84-P86 HydrophobicContact CH2-CG 3.98Å; W84-P86 HydrophobicContact CZ2-CB 4.07Å; W84-P86 HydrophobicContact CZ3-CB 3.83Å; W84-P86 HydrophobicContact CZ3-CG 3.71Å; P86-L88 HydrophobicContact CB-CD1 4.13Å; P86-L88 HydrophobicContact CG-CD1 4.47Å; P86-L88 PolarHBondContact O-N 3.12Å
87L50.9Low54.7Low157 Ų157114 Ų11482%0.82264%0.64SS**  trans-7087.5167.9-159.977.5000104.4K85 D89K85-L87 PolarHBondContact O-N 3.04Å; L87-D89 VanDerWaalsContact C-N 3.31Å; L87-D89 PolarHBondContact O-N 3.47Å
88L41.1Very low53.9Low112 Ų112120 Ų12059%0.58666%0.663SS**  trans-60.5100.9171.8-89.390.6000106.3P86 P90P86-L88 HydrophobicContact CB-CD1 4.13Å; P86-L88 HydrophobicContact CG-CD1 4.47Å; P86-L88 PolarHBondContact O-N 3.12Å; L88-P90 WeakPolarHBondContact O-CD 3.29Å; L88-P90 VanDerWaalsContact O-N 3.16Å
89D42.5Very low53.2Low110 Ų110125 Ų12559%0.58868%0.684SS**  trans-59.2111.5161.5-80.5-28.9000107.2L87 A91 V92L87-D89 VanDerWaalsContact C-N 3.31Å; L87-D89 PolarHBondContact O-N 3.47Å; D89-A91 PolarHBondContact O-N 3.42Å; D89-V92 HydrophobicContact CB-CG2 4.3Å; D89-V92 PolarHBondContact O-N 3.09Å
90P47.4Very low53.3Low138 Ų138121.7 Ų121.790%0.89667%0.667SS**THydrogen-bonded Turntrans-69.72.7-174.625.9-29.3000113.2L88L88-P90 WeakPolarHBondContact O-CD 3.29Å; L88-P90 VanDerWaalsContact O-N 3.16Å
91A44.2Very low53.6Low94 Ų94116 Ų11678%0.77765%0.65SS**THydrogen-bonded Turntrans-101.2-15.2-179.200000114.3D89 G93D89-A91 PolarHBondContact O-N 3.42Å; A91-G93 VanDerWaalsContact C-N 3.31Å; A91-G93 PolarHBondContact O-N 3.28Å; A91-G93 VanDerWaalsContact O-N 3.1Å
92V40Very low53.9Low113 Ų113116.6 Ų116.669%0.68566%0.656SS**SBendtrans-9373-179.2-170.80000109.6D89 D94D89-V92 HydrophobicContact CB-CG2 4.3Å; D89-V92 PolarHBondContact O-N 3.09Å; V92-D94 VanDerWaalsContact C-N 3.29Å; V92-D94 PolarHBondContact O-N 3.07Å
93G37.2Very low54.8Low60 Ų60116.9 Ų116.962%0.61965%0.653SS**  trans38.553.714200000116A91 T95A91-G93 VanDerWaalsContact C-N 3.31Å; A91-G93 PolarHBondContact O-N 3.28Å; A91-G93 VanDerWaalsContact O-N 3.1Å; G93-T95 PolarHBondContact O-N 3.38Å
94D38.2Very low56.1Low97 Ų97116.4 Ų116.452%0.51965%0.652SS.*  trans-5890.2152.7-95.4-21.1000105.5V92 K96V92-D94 VanDerWaalsContact C-N 3.29Å; V92-D94 PolarHBondContact O-N 3.07Å; D94-K96 HydrophobicContact CB-CB 4.17Å; D94-K96 HydrophobicContact CB-CD 3.96Å; D94-K96 HydrophobicContact CB-CG 3.84Å; D94-K96 PolarHBondContact O-N 3.34Å; D94-K96 IonicContact OD1-NZ 3.04Å; D94-K96 WeakPolarHBondContact OD2-CD 3.45Å; D94-K96 WeakPolarHBondContact OD2-CE 3.38Å; D94-K96 IonicContact OD2-NZ 3.9Å; D94-K96 PolarHBondContact OD2-NZ 2.56Å
95T42.6Very low57.9Low139 Ų139115.5 Ų115.585%0.85365%0.65SS**  trans-69.335.6156.250.20000109.2G93 G97G93-T95 PolarHBondContact O-N 3.38Å; T95-G97 VanDerWaalsContact C-N 3.33Å; T95-G97 PolarHBondContact O-N 3.21Å
96K45.5Very low59.5Low144 Ų144111 Ų11163%0.62663%0.634SS**  trans-54106.7157.5-76.1179.9178.9154.10104D94 K98D94-K96 HydrophobicContact CB-CB 4.17Å; D94-K96 HydrophobicContact CB-CD 3.96Å; D94-K96 HydrophobicContact CB-CG 3.84Å; D94-K96 PolarHBondContact O-N 3.34Å; D94-K96 IonicContact OD1-NZ 3.04Å; D94-K96 WeakPolarHBondContact OD2-CD 3.45Å; D94-K96 WeakPolarHBondContact OD2-CE 3.38Å; D94-K96 IonicContact OD2-NZ 3.9Å; D94-K96 PolarHBondContact OD2-NZ 2.56Å; K96-K98 PolarHBondContact O-N 2.85Å
97G51.5Low61.2Low66 Ų66109.6 Ų109.668%0.6863%0.632SS**  trans-42.7129.2-175.100000107.9T95 H99T95-G97 VanDerWaalsContact C-N 3.33Å; T95-G97 PolarHBondContact O-N 3.21Å; G97-H99 PolarHBondContact O-N 3.03Å
98K61Low63Low204 Ų204108 Ų10889%0.88762%0.615SS**  trans-28109.6179.5-63.4177.3178.7-1750108.1K96 E100K96-K98 PolarHBondContact O-N 2.85Å; K98-E100 PolarHBondContact O-N 3.4Å
99H61Low65.3Low182 Ų182105.6 Ų105.684%0.84360%0.603SS**  trans-57.3103.4177.3-159.731.4000104.4G97G97-H99 PolarHBondContact O-N 3.03Å
100E76.9Confident67.7Low54 Ų54106 Ų10625%0.25260%0.601SS.*  trans-63.8145.6172.362-173.8134.900106.7K98 H104 Y105 R108K98-E100 PolarHBondContact O-N 3.4Å; E100-H104 HydrophobicContact CB-CB 4.11Å; E100-Y105 WeakPolarHBondContact OE2-CA 3.42Å; E100-Y105 PolarHBondContact OE2-N 3.37Å; E100-R108 VanDerWaalsContact CD-CZ 3.44Å; E100-R108 IonicContact OE1-CZ 3.77Å; E100-R108 VanDerWaalsContact OE1-CZ 3.29Å; E100-R108 IonicContact OE1-NH1 3.29Å; E100-R108 PolarHBondContact OE1-NH1 2.81Å; E100-R108 IonicContact OE1-NH2 3.97Å; E100-R108 PolarHBondContact OE1-NH2 3.4Å; E100-R108 IonicContact OE2-CZ 3.6Å; E100-R108 IonicContact OE2-NE 3.34Å; E100-R108 IonicContact OE2-NH1 2.82Å; E100-R108 PolarHBondContact OE2-NH1 3.49Å; E100-R108 IonicContact OE2-NH2 2.65Å; E100-R108 PolarHBondContact OE2-NH2 3.25Å
101S83.3Confident69.9Low61 Ų61105.6 Ų105.643%0.42759%0.585SS.*  trans-63.1149.3168.757.20000108.9A103 H104 Y105S101-A103 PolarHBondContact O-N 3.35Å; S101-A103 VanDerWaalsContact O-N 3.12Å; S101-H104 WeakPolarHBondContact O-CA 3.49Å; S101-H104 WeakPolarHBondContact O-CB 3.47Å; S101-H104 PolarHBondContact O-N 3.48Å; S101-H104 PolarHBondContact OG-CD2 3.43Å; S101-H104 PolarHBondContact OG-N 3.16Å; S101-Y105 PolarHBondContact O-N 2.91Å
102D85.2Confident72.1Confident122 Ų122106.5 Ų106.565%0.65257%0.573SS**Hα-helixtrans-53.3-36.2175.8-63.6-16.5000111.5H104 Y105 L106D102-H104 VanDerWaalsContact C-N 3.33Å; D102-H104 PolarHBondContact O-N 3.38Å; D102-Y105 WeakPolarHBondContact O-CB 3.3Å; D102-Y105 PolarHBondContact O-N 2.9Å; D102-L106 WeakPolarHBondContact O-CB 3.46Å; D102-L106 VanDerWaalsContact O-CG 3.3Å; D102-L106 WeakPolarHBondContact O-CG 3.48Å; D102-L106 PolarHBondContact O-N 3.05Å
103A86.6Confident74.6Confident75 Ų75105.2 Ų105.262%0.6257%0.565SS**Hα-helixtrans-60.6-38.2173.500000113.2S101 G107S101-A103 PolarHBondContact O-N 3.35Å; S101-A103 VanDerWaalsContact O-N 3.12Å; A103-G107 PolarHBondContact O-N 2.96Å
104H86.4Confident77.1Confident130 Ų130108 Ų10860%0.60256%0.562SS**Hα-helixtrans-69.5-40.9174.4-92.4-58.8000111.8E100 S101 D102 G107 R108E100-H104 HydrophobicContact CB-CB 4.11Å; S101-H104 WeakPolarHBondContact O-CA 3.49Å; S101-H104 WeakPolarHBondContact O-CB 3.47Å; S101-H104 PolarHBondContact O-N 3.48Å; S101-H104 PolarHBondContact OG-CD2 3.43Å; S101-H104 PolarHBondContact OG-N 3.16Å; D102-H104 VanDerWaalsContact C-N 3.33Å; D102-H104 PolarHBondContact O-N 3.38Å; H104-G107 PolarHBondContact O-N 3.48Å; H104-R108 WeakPolarHBondContact O-CG 3.44Å; H104-R108 PolarHBondContact O-N 3.25Å
105Y85.5Confident79.7Confident112 Ų112107.1 Ų107.144%0.43956%0.557SS.*Hα-helixtrans-60.4-51.6175.7174.5-105.6000111.3E100 S101 D102 G107 R108 L109E100-Y105 WeakPolarHBondContact OE2-CA 3.42Å; E100-Y105 PolarHBondContact OE2-N 3.37Å; S101-Y105 PolarHBondContact O-N 2.91Å; D102-Y105 WeakPolarHBondContact O-CB 3.3Å; D102-Y105 PolarHBondContact O-N 2.9Å; Y105-G107 VanDerWaalsContact C-N 3.32Å; Y105-G107 PolarHBondContact O-N 3.24Å; Y105-R108 PolarHBondContact O-N 3.05Å; Y105-R108 VanDerWaalsContact O-N 3.11Å; Y105-L109 HydrophobicContact CD1-CD1 4.09Å; Y105-L109 HydrophobicContact CE1-CD1 3.4Å; Y105-L109 VanDerWaalsContact CE1-CD1 3.4Å; Y105-L109 HydrophobicContact CE1-CG 4.16Å; Y105-L109 HydrophobicContact CE2-CD1 4.37Å; Y105-L109 HydrophobicContact CE2-CG 4.36Å; Y105-L109 PolarHBondContact O-N 3.02Å
106L88.9Confident81.8Confident89 Ų89105.3 Ų105.347%0.46654%0.539SS..Hα-helixtrans-58.6-44.3175.8-69.7173.6000111.2D102 R108 L109 H110D102-L106 WeakPolarHBondContact O-CB 3.46Å; D102-L106 VanDerWaalsContact O-CG 3.3Å; D102-L106 WeakPolarHBondContact O-CG 3.48Å; D102-L106 PolarHBondContact O-N 3.05Å; L106-R108 VanDerWaalsContact C-N 3.27Å; L106-R108 PolarHBondContact O-N 3.28Å; L106-L109 PolarHBondContact O-N 3.42Å; L106-L109 VanDerWaalsContact O-N 3.14Å; L106-H110 PolarHBondContact O-CD2 2.88Å; L106-H110 PolarHBondContact O-N 2.95Å
107G89.4Confident83.9Confident42 Ų42103.4 Ų103.443%0.43354%0.535SS..Hα-helixtrans-59.4-35.6176.600000113.5A103 H104 Y105 K111A103-G107 PolarHBondContact O-N 2.96Å; H104-G107 PolarHBondContact O-N 3.48Å; Y105-G107 VanDerWaalsContact C-N 3.32Å; Y105-G107 PolarHBondContact O-N 3.24Å; G107-K111 WeakPolarHBondContact O-CB 3.46Å; G107-K111 PolarHBondContact O-N 3.4Å
108R89.5Confident85.7Confident123 Ų123103.6 Ų103.646%0.46453%0.526SS..Hα-helixtrans-70.2-43.8173.2-68-163.4-45.2-128.24.7112E100 H104 Y105 L106 K111 E112E100-R108 VanDerWaalsContact CD-CZ 3.44Å; E100-R108 IonicContact OE1-CZ 3.77Å; E100-R108 VanDerWaalsContact OE1-CZ 3.29Å; E100-R108 IonicContact OE1-NH1 3.29Å; E100-R108 PolarHBondContact OE1-NH1 2.81Å; E100-R108 IonicContact OE1-NH2 3.97Å; E100-R108 PolarHBondContact OE1-NH2 3.4Å; E100-R108 IonicContact OE2-CZ 3.6Å; E100-R108 IonicContact OE2-NE 3.34Å; E100-R108 IonicContact OE2-NH1 2.82Å; E100-R108 PolarHBondContact OE2-NH1 3.49Å; E100-R108 IonicContact OE2-NH2 2.65Å; E100-R108 PolarHBondContact OE2-NH2 3.25Å; H104-R108 WeakPolarHBondContact O-CG 3.44Å; H104-R108 PolarHBondContact O-N 3.25Å; Y105-R108 PolarHBondContact O-N 3.05Å; Y105-R108 VanDerWaalsContact O-N 3.11Å; L106-R108 VanDerWaalsContact C-N 3.27Å; L106-R108 PolarHBondContact O-N 3.28Å; R108-K111 PolarHBondContact O-N 3.02Å; R108-E112 WeakPolarHBondContact O-CG 3.39Å; R108-E112 PolarHBondContact O-N 3.12Å
109L89.7Confident87Confident63 Ų6397.8 Ų97.833%0.3350%0.501SS..Hα-helixtrans-60.4-47.1177.5-73.3-176.5000111.8Y105 L106 K111 E112 V113Y105-L109 HydrophobicContact CD1-CD1 4.09Å; Y105-L109 HydrophobicContact CE1-CD1 3.4Å; Y105-L109 VanDerWaalsContact CE1-CD1 3.4Å; Y105-L109 HydrophobicContact CE1-CG 4.16Å; Y105-L109 HydrophobicContact CE2-CD1 4.37Å; Y105-L109 HydrophobicContact CE2-CG 4.36Å; Y105-L109 PolarHBondContact O-N 3.02Å; L106-L109 PolarHBondContact O-N 3.42Å; L106-L109 VanDerWaalsContact O-N 3.14Å; L109-K111 VanDerWaalsContact C-N 3.29Å; L109-K111 PolarHBondContact O-N 3.46Å; L109-E112 PolarHBondContact O-N 2.9Å; L109-V113 VanDerWaalsContact O-CG2 3.31Å; L109-V113 WeakPolarHBondContact O-CG2 3.39Å; L109-V113 PolarHBondContact O-N 3.19Å
110H92.1Very high88.1Confident119 Ų11991.6 Ų91.655%0.55148%0.476SS*.Hα-helixtrans-57.5-44.6176.8-79.3-68.7000111.4L106 V113 E114L106-H110 PolarHBondContact O-CD2 2.88Å; L106-H110 PolarHBondContact O-N 2.95Å; H110-V113 PolarHBondContact O-N 2.9Å; H110-E114 WeakPolarHBondContact O-CB 3.5Å; H110-E114 VanDerWaalsContact O-CG 3.29Å; H110-E114 WeakPolarHBondContact O-CG 3.48Å; H110-E114 PolarHBondContact O-N 3.4Å
111K93.6Very high88.6Confident128 Ų12894.3 Ų94.356%0.55749%0.489SS*.Hα-helixtrans-64-43177-174.7176.7179.7177.70113G107 R108 L109 V113 E114 D115G107-K111 WeakPolarHBondContact O-CB 3.46Å; G107-K111 PolarHBondContact O-N 3.4Å; R108-K111 PolarHBondContact O-N 3.02Å; L109-K111 VanDerWaalsContact C-N 3.29Å; L109-K111 PolarHBondContact O-N 3.46Å; K111-V113 VanDerWaalsContact C-N 3.32Å; K111-V113 PolarHBondContact O-N 2.88Å; K111-E114 PolarHBondContact O-N 2.79Å; K111-D115 WeakPolarHBondContact O-CB 3.36Å; K111-D115 VanDerWaalsContact O-CG 3.29Å; K111-D115 PolarHBondContact O-N 3.46Å
112E90.3Very high88.9Confident114 Ų11497.5 Ų97.553%0.53350%0.495SS..Hα-helixtrans-62.1-41.7176.9-74.5173.4-170.900111R108 L109 D115 E116R108-E112 WeakPolarHBondContact O-CG 3.39Å; R108-E112 PolarHBondContact O-N 3.12Å; L109-E112 PolarHBondContact O-N 2.9Å; E112-D115 PolarHBondContact O-N 2.74Å; E112-E116 WeakPolarHBondContact O-CG 3.48Å; E112-E116 PolarHBondContact O-N 2.93Å
113V92.3Very high88.9Confident85 Ų8592.5 Ų92.552%0.51547%0.469SS..Hα-helixtrans-64.1-44.9175.1172.70000111.5L109 H110 K111 D115 E116 L117L109-V113 VanDerWaalsContact O-CG2 3.31Å; L109-V113 WeakPolarHBondContact O-CG2 3.39Å; L109-V113 PolarHBondContact O-N 3.19Å; H110-V113 PolarHBondContact O-N 2.9Å; K111-V113 VanDerWaalsContact C-N 3.32Å; K111-V113 PolarHBondContact O-N 2.88Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 2.75Å; V113-E116 PolarHBondContact O-N 3.12Å; V113-L117 HydrophobicContact CG1-CD1 4.11Å; V113-L117 HydrophobicContact CG1-CG 4.45Å; V113-L117 WeakPolarHBondContact O-CG 3.39Å; V113-L117 PolarHBondContact O-N 2.83Å
114E90.5Very high89Confident120 Ų12096.5 Ų96.556%0.56147%0.473SS*.Hα-helixtrans-60.4-42.1175.4-76.2171.2-171.800112.2H110 K111 L117 S118H110-E114 WeakPolarHBondContact O-CB 3.5Å; H110-E114 VanDerWaalsContact O-CG 3.29Å; H110-E114 WeakPolarHBondContact O-CG 3.48Å; H110-E114 PolarHBondContact O-N 3.4Å; K111-E114 PolarHBondContact O-N 2.79Å; E114-L117 PolarHBondContact O-N 3.14Å; E114-S118 VanDerWaalsContact O-CB 3.3Å; E114-S118 WeakPolarHBondContact O-CB 3.43Å; E114-S118 PolarHBondContact O-N 2.94Å; E114-S118 PolarHBondContact O-OG 3.48Å
115D91.2Very high89.1Confident78 Ų7897.7 Ų97.742%0.41748%0.476SS..Hα-helixtrans-64.5-41177.5-77-20.4000110.9K111 E112 V113 K119K111-D115 WeakPolarHBondContact O-CB 3.36Å; K111-D115 VanDerWaalsContact O-CG 3.29Å; K111-D115 PolarHBondContact O-N 3.46Å; E112-D115 PolarHBondContact O-N 2.74Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 2.75Å; D115-K119 VanDerWaalsContact O-CG 3.28Å; D115-K119 WeakPolarHBondContact O-CG 3.46Å; D115-K119 PolarHBondContact O-N 3.1Å
116E87Confident89.1Confident100 Ų10097.7 Ų97.747%0.46748%0.48SS..Hα-helixtrans-67.7-44.3175.4-69.6-52.8139.800112.5E112 V113 S118 K119 V120E112-E116 WeakPolarHBondContact O-CG 3.48Å; E112-E116 PolarHBondContact O-N 2.93Å; V113-E116 PolarHBondContact O-N 3.12Å; E116-S118 VanDerWaalsContact C-N 3.29Å; E116-S118 PolarHBondContact O-N 3.35Å; E116-K119 WeakPolarHBondContact O-CB 3.3Å; E116-K119 PolarHBondContact O-N 2.94Å; E116-K119 IonicContact OE1-NZ 3.7Å; E116-K119 PolarHBondContact OE1-NZ 3.14Å; E116-K119 IonicContact OE2-NZ 2.62Å; E116-V120 WeakPolarHBondContact O-CG2 3.49Å; E116-V120 PolarHBondContact O-N 3.22Å
117L89.5Confident88.8Confident105 Ų105104.8 Ų104.855%0.5550%0.501SS..Hα-helixtrans-59.7-42.3174.6-73.4174.8000111.3V113 E114 K119 V120 E121V113-L117 HydrophobicContact CG1-CD1 4.11Å; V113-L117 HydrophobicContact CG1-CG 4.45Å; V113-L117 WeakPolarHBondContact O-CG 3.39Å; V113-L117 PolarHBondContact O-N 2.83Å; E114-L117 PolarHBondContact O-N 3.14Å; L117-K119 VanDerWaalsContact C-N 3.33Å; L117-K119 PolarHBondContact O-N 3.3Å; L117-V120 PolarHBondContact O-N 2.99Å; L117-E121 PolarHBondContact O-N 3.17Å
118S89.5Confident88.3Confident70 Ų70106.3 Ų106.349%0.4950%0.502SS..Hα-helixtrans-61.7-39.3176.4-62.80000112.2E114 E116 F122E114-S118 VanDerWaalsContact O-CB 3.3Å; E114-S118 WeakPolarHBondContact O-CB 3.43Å; E114-S118 PolarHBondContact O-N 2.94Å; E114-S118 PolarHBondContact O-OG 3.48Å; E116-S118 VanDerWaalsContact C-N 3.29Å; E116-S118 PolarHBondContact O-N 3.35Å; S118-F122 VanDerWaalsContact O-CB 3.24Å; S118-F122 WeakPolarHBondContact O-CB 3.39Å; S118-F122 PolarHBondContact O-N 3.25Å
119K87.7Confident87.5Confident81 Ų81109 Ų10935%0.35252%0.52SS..Hα-helixtrans-64.3-43.1174.2-70.6167.7-163.8170.70111.7D115 E116 L117 F122 S123 L130D115-K119 VanDerWaalsContact O-CG 3.28Å; D115-K119 WeakPolarHBondContact O-CG 3.46Å; D115-K119 PolarHBondContact O-N 3.1Å; E116-K119 WeakPolarHBondContact O-CB 3.3Å; E116-K119 PolarHBondContact O-N 2.94Å; E116-K119 IonicContact OE1-NZ 3.7Å; E116-K119 PolarHBondContact OE1-NZ 3.14Å; E116-K119 IonicContact OE2-NZ 2.62Å; L117-K119 VanDerWaalsContact C-N 3.33Å; L117-K119 PolarHBondContact O-N 3.3Å; K119-F122 PolarHBondContact O-N 3.23Å; K119-S123 WeakPolarHBondContact O-CB 3.34Å; K119-S123 PolarHBondContact O-N 3.16Å; K119-L130 HydrophobicContact CB-CD2 4.46Å
120V85.9Confident86.4Confident52 Ų52110.8 Ų110.832%0.31553%0.529SS..Hα-helixtrans-64.5-46.4178.2173.70000111.1E116 L117 F122 S123 K124 L130E116-V120 WeakPolarHBondContact O-CG2 3.49Å; E116-V120 PolarHBondContact O-N 3.22Å; L117-V120 PolarHBondContact O-N 2.99Å; V120-F122 VanDerWaalsContact C-N 3.34Å; V120-F122 PolarHBondContact O-N 3.21Å; V120-S123 PolarHBondContact O-N 3.08Å; V120-K124 HydrophobicContact CG1-CD 4.36Å; V120-K124 WeakPolarHBondContact O-CG 3.47Å; V120-K124 PolarHBondContact O-N 2.87Å; V120-L130 HydrophobicContact CG2-CD1 3.86Å
121E87.7Confident85.2Confident112 Ų112110.5 Ų110.552%0.52354%0.535SS..Hα-helixtrans-61.4-43.1175.9-76.3-169.1-173.600112.2L117 K124 K125L117-E121 PolarHBondContact O-N 3.17Å; E121-K124 PolarHBondContact O-N 3.25Å; E121-K125 WeakPolarHBondContact O-CB 3.38Å; E121-K125 WeakPolarHBondContact O-CG 3.22Å; E121-K125 PolarHBondContact O-N 3.23Å; E121-K125 IonicContact OE2-NZ 2.56Å
122F87.9Confident83.8Confident128 Ų128109.3 Ų109.356%0.56154%0.541SS*.Hα-helixtrans-61.8-47.2177179.7-96.6000111.4S118 K119 V120 K124 K125 Q126S118-F122 VanDerWaalsContact O-CB 3.24Å; S118-F122 WeakPolarHBondContact O-CB 3.39Å; S118-F122 PolarHBondContact O-N 3.25Å; K119-F122 PolarHBondContact O-N 3.23Å; V120-F122 VanDerWaalsContact C-N 3.34Å; V120-F122 PolarHBondContact O-N 3.21Å; F122-K124 VanDerWaalsContact C-N 3.35Å; F122-K124 PolarHBondContact O-N 2.91Å; F122-K125 PolarHBondContact O-N 2.74Å; F122-Q126 HydrophobicContact CD1-CG 4.27Å; F122-Q126 HydrophobicContact CD2-CG 4.27Å; F122-Q126 HydrophobicContact CE1-CG 3.87Å; F122-Q126 HydrophobicContact CE2-CG 3.86Å; F122-Q126 HydrophobicContact CG-CG 4.47Å; F122-Q126 HydrophobicContact CZ-CG 3.65Å; F122-Q126 WeakPolarHBondContact O-CB 3.35Å; F122-Q126 WeakPolarHBondContact O-CG 3.31Å; F122-Q126 PolarHBondContact O-N 2.8Å
123S85.4Confident82.4Confident16 Ų16109.8 Ų109.811%0.11255%0.546CS..Hα-helixtrans-58.2-44.7175.5154.10000111.8K119 V120 Q126 R127 T128K119-S123 WeakPolarHBondContact O-CB 3.34Å; K119-S123 PolarHBondContact O-N 3.16Å; V120-S123 PolarHBondContact O-N 3.08Å; S123-Q126 CarbonylContact O-C 3.56Å; S123-Q126 PolarHBondContact O-N 3.21Å; S123-R127 WeakPolarHBondContact O-CA 3.4Å; S123-R127 PolarHBondContact O-N 2.86Å; S123-T128 WeakPolarHBondContact CB-O 3.17Å; S123-T128 PolarHBondContact O-N 3.1Å; S123-T128 VanDerWaalsContact O-N 3.08Å; S123-T128 PolarHBondContact OG-O 3.16Å
124K89.3Confident80.8Confident160 Ų160111.2 Ų111.270%0.69656%0.555SS**Hα-helixtrans-60.6-45.8174.7-75.5179.7-179.8179.80112.2V120 E121 F122 Q126 R127V120-K124 HydrophobicContact CG1-CD 4.36Å; V120-K124 WeakPolarHBondContact O-CG 3.47Å; V120-K124 PolarHBondContact O-N 2.87Å; E121-K124 PolarHBondContact O-N 3.25Å; F122-K124 VanDerWaalsContact C-N 3.35Å; F122-K124 PolarHBondContact O-N 2.91Å; K124-Q126 VanDerWaalsContact C-N 3.34Å; K124-Q126 PolarHBondContact O-N 3.03Å; K124-R127 PolarHBondContact O-N 3.26Å
125K88.8Confident79.4Confident154 Ų154113.8 Ų113.867%0.6757%0.567SS**Hα-helixtrans-62.6-39.3178.2-76.6173.3-179.3165.30112.2E121 F122E121-K125 WeakPolarHBondContact O-CB 3.38Å; E121-K125 WeakPolarHBondContact O-CG 3.22Å; E121-K125 PolarHBondContact O-N 3.23Å; E121-K125 IonicContact OE2-NZ 2.56Å; F122-K125 PolarHBondContact O-N 2.74Å
126Q84.2Confident78.2Confident113 Ų113115.6 Ų115.653%0.52858%0.581SS.*Hα-helixtrans-88.9-5.5-179.7-60.4-57.7-41.100113.6F122 S123 K124 T128F122-Q126 HydrophobicContact CD1-CG 4.27Å; F122-Q126 HydrophobicContact CD2-CG 4.27Å; F122-Q126 HydrophobicContact CE1-CG 3.87Å; F122-Q126 HydrophobicContact CE2-CG 3.86Å; F122-Q126 HydrophobicContact CG-CG 4.47Å; F122-Q126 HydrophobicContact CZ-CG 3.65Å; F122-Q126 WeakPolarHBondContact O-CB 3.35Å; F122-Q126 WeakPolarHBondContact O-CG 3.31Å; F122-Q126 PolarHBondContact O-N 2.8Å; S123-Q126 CarbonylContact O-C 3.56Å; S123-Q126 PolarHBondContact O-N 3.21Å; K124-Q126 VanDerWaalsContact C-N 3.34Å; K124-Q126 PolarHBondContact O-N 3.03Å; Q126-T128 HydrophobicContact CB-CG2 4Å; Q126-T128 PolarHBondContact O-N 2.87Å
127R83.2Confident77.4Confident237 Ų237119.8 Ų119.889%0.89460%0.597SS**THydrogen-bonded Turntrans50.937.5-171.9-60-179.4175.8177.2-1.7112.9S123 K124S123-R127 WeakPolarHBondContact O-CA 3.4Å; S123-R127 PolarHBondContact O-N 2.86Å; K124-R127 PolarHBondContact O-N 3.26Å
128T78.9Confident76.7Confident75 Ų75117.9 Ų117.946%0.4659%0.591SS.*  trans-102.3140.2178.352.40000110.6S123 Q126S123-T128 WeakPolarHBondContact CB-O 3.17Å; S123-T128 PolarHBondContact O-N 3.1Å; S123-T128 VanDerWaalsContact O-N 3.08Å; S123-T128 PolarHBondContact OG-O 3.16Å; Q126-T128 HydrophobicContact CB-CG2 4Å; Q126-T128 PolarHBondContact O-N 2.87Å
129E73.8Confident76.4Confident180 Ų180118 Ų11884%0.84159%0.592SS**  trans-71.6133.5174.1-66-179.8-179.300110.4V131E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 2.94Å
130L65.3Low76.5Confident100 Ų100123.1 Ų123.152%0.52461%0.614SS.*  trans-7290.8173.4-70.5171.7000108.8K119 V120 P132K119-L130 HydrophobicContact CB-CD2 4.46Å; V120-L130 HydrophobicContact CG2-CD1 3.86Å; L130-P132 WeakPolarHBondContact O-CD 3.38Å
131V66.9Low76.7Confident112 Ų112129.2 Ų129.268%0.67964%0.637SS**  trans-62121.6171.1-1770000107.7E129 I133E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 2.94Å; V131-I133 PolarHBondContact O-N 3.32Å
132P64.2Low76.8Confident103 Ų103130.1 Ų130.167%0.66964%0.639SS**  trans-55134.6175.920.5-29.8000108.1L130 T134L130-P132 WeakPolarHBondContact O-CD 3.38Å; P132-T134 PolarHBondContact O-N 3.04Å
133I62.4Low76.8Confident124 Ų124126.9 Ų126.964%0.63663%0.631SS**  trans-63.780.2-174.4-54.6169000108.2V131 E135 V136V131-I133 PolarHBondContact O-N 3.32Å; I133-E135 PolarHBondContact O-N 3.38Å; I133-V136 HydrophobicContact CG2-CG2 3.61Å
134T56.7Low77.2Confident115 Ų115132.7 Ų132.771%0.70666%0.655SS**  trans-65.4106.216846.40000105.6P132 V136P132-T134 PolarHBondContact O-N 3.04Å; T134-V136 PolarHBondContact O-N 3.14Å; T134-V136 VanDerWaalsContact O-N 3.11Å
135E61.7Low77.4Confident174 Ų174127.8 Ų127.881%0.81364%0.643SS**  trans18.182.6168.1-60.5-174177.100113.6I133 K137I133-E135 PolarHBondContact O-N 3.38Å; E135-K137 VanDerWaalsContact C-N 3.31Å; E135-K137 PolarHBondContact O-N 2.94Å
136V66.5Low77.4Confident117 Ų117124.2 Ų124.271%0.70963%0.631SS**  trans-57.4100.4174.4174.80000107.5I133 T134 P138I133-V136 HydrophobicContact CG2-CG2 3.61Å; T134-V136 PolarHBondContact O-N 3.14Å; T134-V136 VanDerWaalsContact O-N 3.11Å; V136-P138 WeakPolarHBondContact O-CD 3.35Å
137K70.6Confident77.9Confident188 Ų188125.4 Ų125.482%0.81764%0.635SS**PPolyproline II helixtrans-54.9118.1-178.5-76.9-176.4178.6173.60107.3E135 S139E135-K137 VanDerWaalsContact C-N 3.31Å; E135-K137 PolarHBondContact O-N 2.94Å; K137-S139 PolarHBondContact O-N 3.06Å
138P73.9Confident78.4Confident65 Ų65123 Ų12342%0.42263%0.625SS.*PPolyproline II helixtrans-59.5139.4-174.719.5-29.9000110V136 K142 C143V136-P138 WeakPolarHBondContact O-CD 3.35Å; P138-K142 HydrophobicContact CB-CB 4.27Å; P138-K142 HydrophobicContact CB-CD 3.9Å; P138-K142 HydrophobicContact CB-CG 4.22Å; P138-C143 PolarHBondContact O-SG 2.96Å
139S82.7Confident79.1Confident73 Ų73123.7 Ų123.751%0.5163%0.626SS.*PPolyproline II helixtrans-55.4150-179.679.70000111.4K137 K141 K142 C143K137-S139 PolarHBondContact O-N 3.06Å; S139-K141 PolarHBondContact O-N 3.22Å; S139-K142 WeakPolarHBondContact O-CA 3.39Å; S139-K142 WeakPolarHBondContact O-CB 3.38Å; S139-K142 PolarHBondContact O-N 3.15Å; S139-K142 PolarHBondContact OG-N 3.31Å; S139-C143 PolarHBondContact O-N 3.31Å
140K90.1Very high80Confident187 Ų187118.5 Ų118.581%0.81360%0.604SS**Hα-helixtrans-50.7-32.8177.9-66.6-177-179.3177.40112.5K144K140-K144 WeakPolarHBondContact O-CG 3.39Å; K140-K144 PolarHBondContact O-N 2.71Å
141K91.7Very high81.5Confident181 Ų181117.3 Ų117.379%0.78760%0.598SS**Hα-helixtrans-69.4-44.2176.3-67.5-178.2-179174.60111.9S139 K144 A145S139-K141 PolarHBondContact O-N 3.22Å; K141-K144 PolarHBondContact O-N 3.36Å; K141-A145 PolarHBondContact O-N 2.87Å
142K88.3Confident82.7Confident131 Ų131117.7 Ų117.757%0.5759%0.591SS**Hα-helixtrans-62.4-44.8177.3-172.2173.5176.9-176.80111P138 S139 K144 A145 I146P138-K142 HydrophobicContact CB-CB 4.27Å; P138-K142 HydrophobicContact CB-CD 3.9Å; P138-K142 HydrophobicContact CB-CG 4.22Å; S139-K142 WeakPolarHBondContact O-CA 3.39Å; S139-K142 WeakPolarHBondContact O-CB 3.38Å; S139-K142 PolarHBondContact O-N 3.15Å; S139-K142 PolarHBondContact OG-N 3.31Å; K142-K144 PolarHBondContact O-N 3.09Å; K142-A145 WeakPolarHBondContact O-CB 3.37Å; K142-A145 PolarHBondContact O-N 3.01Å; K142-A145 VanDerWaalsContact O-N 3.14Å; K142-I146 HydrophobicContact CG-CD1 4.04Å; K142-I146 WeakPolarHBondContact O-CG1 3.33Å; K142-I146 PolarHBondContact O-N 3.23Å
143C88.2Confident84.1Confident59 Ų59119.8 Ų119.840%0.39959%0.585SS.*Hα-helixtrans-59.1-44.8175.7-59.80000112.4P138 S139 A145 I146 K147P138-C143 PolarHBondContact O-SG 2.96Å; S139-C143 PolarHBondContact O-N 3.31Å; C143-A145 VanDerWaalsContact C-N 3.32Å; C143-A145 PolarHBondContact O-N 2.97Å; C143-I146 PolarHBondContact O-N 3.11Å; C143-K147 PolarHBondContact O-N 3.14Å
144K93.4Very high85.5Confident139 Ų139120.2 Ų120.260%0.60458%0.583SS**Hα-helixtrans-62.1-38.3175.9-75.6-179.4-179.7-175.60112.5K140 K141 K142 R148K140-K144 WeakPolarHBondContact O-CG 3.39Å; K140-K144 PolarHBondContact O-N 2.71Å; K141-K144 PolarHBondContact O-N 3.36Å; K142-K144 PolarHBondContact O-N 3.09Å; K144-R148 VanDerWaalsContact O-CG 3.3Å; K144-R148 WeakPolarHBondContact O-CG 3.45Å; K144-R148 PolarHBondContact O-N 3.27Å
145A93.5Very high87Confident56 Ų56121.3 Ų121.346%0.46358%0.579SS.*Hα-helixtrans-66.6-44.1177.400000111.8K141 K142 C143 R148 L149K141-A145 PolarHBondContact O-N 2.87Å; K142-A145 WeakPolarHBondContact O-CB 3.37Å; K142-A145 PolarHBondContact O-N 3.01Å; K142-A145 VanDerWaalsContact O-N 3.14Å; C143-A145 VanDerWaalsContact C-N 3.32Å; C143-A145 PolarHBondContact O-N 2.97Å; A145-R148 PolarHBondContact O-N 3.25Å; A145-L149 PolarHBondContact O-N 3.25Å
146I89.7Confident88.2Confident80 Ų80119.6 Ų119.641%0.4157%0.569SS.*Hα-helixtrans-60.8-45.2175.4-66.5166.2000110.5K142 C143 R148 L149 N150K142-I146 HydrophobicContact CG-CD1 4.04Å; K142-I146 WeakPolarHBondContact O-CG1 3.33Å; K142-I146 PolarHBondContact O-N 3.23Å; C143-I146 PolarHBondContact O-N 3.11Å; I146-R148 PolarHBondContact O-N 3.45Å; I146-L149 WeakPolarHBondContact O-CB 3.45Å; I146-L149 PolarHBondContact O-N 3.13Å; I146-N150 PolarHBondContact O-N 3.5Å
147K94Very high89.1Confident138 Ų138122.8 Ų122.860%0.657%0.569SS**Hα-helixtrans-57.5-50.7176.4-171.2176.7-179.9176.60111.8C143 L149 N150 D151C143-K147 PolarHBondContact O-N 3.14Å; K147-L149 VanDerWaalsContact C-N 3.27Å; K147-L149 PolarHBondContact O-N 2.92Å; K147-N150 WeakPolarHBondContact O-CB 3.49Å; K147-N150 PolarHBondContact O-N 3.43Å; K147-N150 VanDerWaalsContact O-N 3.09Å; K147-D151 PolarHBondContact O-N 3.27Å
148R94.1Very high89.8Confident185 Ų185119.6 Ų119.670%0.69856%0.56SS**Hα-helixtrans-58.1-38.1177-72.3171.7-180180-1113K144 A145 I146 K152K144-R148 VanDerWaalsContact O-CG 3.3Å; K144-R148 WeakPolarHBondContact O-CG 3.45Å; K144-R148 PolarHBondContact O-N 3.27Å; A145-R148 PolarHBondContact O-N 3.25Å; I146-R148 PolarHBondContact O-N 3.45Å; R148-K152 WeakPolarHBondContact O-CB 3.21Å; R148-K152 PolarHBondContact O-N 3.31Å
149L93.4Very high90Very high91 Ų91120.3 Ų120.348%0.47656%0.557SS.*Hα-helixtrans-66-42.7177-178.763.8000111.2A145 I146 K147 K152 R153A145-L149 PolarHBondContact O-N 3.25Å; I146-L149 WeakPolarHBondContact O-CB 3.45Å; I146-L149 PolarHBondContact O-N 3.13Å; K147-L149 VanDerWaalsContact C-N 3.27Å; K147-L149 PolarHBondContact O-N 2.92Å; L149-K152 PolarHBondContact O-N 2.99Å; L149-R153 WeakPolarHBondContact O-CG 3.28Å; L149-R153 PolarHBondContact O-N 3.37Å
150N93.9Very high90Very high71 Ų71119 Ų11938%0.3855%0.551SS.*Hα-helixtrans-65.6-43.3177.2-70.7-17.7000111.7I146 K147 K152 R153 K154I146-N150 PolarHBondContact O-N 3.5Å; K147-N150 WeakPolarHBondContact O-CB 3.49Å; K147-N150 PolarHBondContact O-N 3.43Å; K147-N150 VanDerWaalsContact O-N 3.09Å; N150-K152 VanDerWaalsContact C-N 3.34Å; N150-K152 PolarHBondContact O-N 3.02Å; N150-R153 WeakPolarHBondContact O-CB 3.4Å; N150-R153 PolarHBondContact O-N 2.91Å; N150-R153 VanDerWaalsContact O-N 3.13Å; N150-K154 WeakPolarHBondContact O-CG 3.39Å; N150-K154 PolarHBondContact O-N 3.4Å
151D94.8Very high89.5Confident74 Ų74111.8 Ų111.840%0.39652%0.523SS..Hα-helixtrans-59.2-46.2176.1-62.3-24.5000110.8K147 R153 K154 E155K147-D151 PolarHBondContact O-N 3.27Å; D151-R153 VanDerWaalsContact C-N 3.3Å; D151-R153 PolarHBondContact O-N 2.87Å; D151-K154 WeakPolarHBondContact O-CB 2.98Å; D151-K154 PolarHBondContact O-N 2.84Å; D151-K154 VanDerWaalsContact O-N 3.14Å; D151-E155 PolarHBondContact O-N 2.89Å
152K93.7Very high88.7Confident121 Ų121107.1 Ų107.153%0.52650%0.503SS..Hα-helixtrans-62.2-34.9175.6-171.7175.5-173.7175.30113R148 L149 N150 K156R148-K152 WeakPolarHBondContact O-CB 3.21Å; R148-K152 PolarHBondContact O-N 3.31Å; L149-K152 PolarHBondContact O-N 2.99Å; N150-K152 VanDerWaalsContact C-N 3.34Å; N150-K152 PolarHBondContact O-N 3.02Å; K152-K156 WeakPolarHBondContact O-CG 3.45Å; K152-K156 PolarHBondContact O-N 3.14Å; K152-K156 VanDerWaalsContact O-N 3.16Å
153R93Very high88Confident146 Ų146103.9 Ų103.955%0.55149%0.49SS*.Hα-helixtrans-68.4-41174.6-76.2176.5176.7-174.2-1.6111.2L149 N150 D151 K156 R157L149-R153 WeakPolarHBondContact O-CG 3.28Å; L149-R153 PolarHBondContact O-N 3.37Å; N150-R153 WeakPolarHBondContact O-CB 3.4Å; N150-R153 PolarHBondContact O-N 2.91Å; N150-R153 VanDerWaalsContact O-N 3.13Å; D151-R153 VanDerWaalsContact C-N 3.3Å; D151-R153 PolarHBondContact O-N 2.87Å; R153-K156 PolarHBondContact O-N 3.28Å; R153-R157 WeakPolarHBondContact O-CG 3.38Å; R153-R157 PolarHBondContact O-N 2.89Å
154K91.7Very high87.2Confident134 Ų134109.7 Ų109.758%0.58350%0.503SS*.Hα-helixtrans-63-49175.8-71.8-178.3176.4-172.50111.6N150 D151 K156 R157 L158N150-K154 WeakPolarHBondContact O-CG 3.39Å; N150-K154 PolarHBondContact O-N 3.4Å; D151-K154 WeakPolarHBondContact O-CB 2.98Å; D151-K154 PolarHBondContact O-N 2.84Å; D151-K154 VanDerWaalsContact O-N 3.14Å; K154-K156 VanDerWaalsContact C-N 3.31Å; K154-K156 PolarHBondContact O-N 2.73Å; K154-R157 WeakPolarHBondContact O-CB 3.17Å; K154-R157 PolarHBondContact O-N 3.01Å; K154-L158 WeakPolarHBondContact O-CG 3.01Å; K154-L158 PolarHBondContact O-N 3.26Å
155E88.4Confident86.2Confident137 Ų137107.6 Ų107.664%0.6450%0.498SS*.Hα-helixtrans-55.2-45.9176.5-174.1-175.2-177.200111.6D151 R157 L158 H159D151-E155 PolarHBondContact O-N 2.89Å; E155-R157 VanDerWaalsContact C-N 3.35Å; E155-R157 PolarHBondContact O-N 3.23Å; E155-L158 PolarHBondContact O-N 2.92Å; E155-H159 WeakPolarHBondContact O-CB 3.44Å; E155-H159 PolarHBondContact O-N 3.08Å
156K86.7Confident85.2Confident138 Ų138107.8 Ų107.860%0.649%0.494SS*.Hα-helixtrans-62.9-37.7175.6-78-174174.3-162.80113.6K152 R153 K154 A160K152-K156 WeakPolarHBondContact O-CG 3.45Å; K152-K156 PolarHBondContact O-N 3.14Å; K152-K156 VanDerWaalsContact O-N 3.16Å; R153-K156 PolarHBondContact O-N 3.28Å; K154-K156 VanDerWaalsContact C-N 3.31Å; K154-K156 PolarHBondContact O-N 2.73Å; K156-A160 WeakPolarHBondContact O-CB 3.29Å; K156-A160 PolarHBondContact O-N 3.48Å
157R86.4Confident84Confident184 Ų184104.6 Ų104.669%0.69448%0.48SS*.Hα-helixtrans-66.7-47.6176.7-76.4178.1178-177.7-1.9110.6R153 K154 E155 H159 A160 V161R153-R157 WeakPolarHBondContact O-CG 3.38Å; R153-R157 PolarHBondContact O-N 2.89Å; K154-R157 WeakPolarHBondContact O-CB 3.17Å; K154-R157 PolarHBondContact O-N 3.01Å; E155-R157 VanDerWaalsContact C-N 3.35Å; E155-R157 PolarHBondContact O-N 3.23Å; R157-H159 PolarHBondContact O-N 2.79Å; R157-A160 PolarHBondContact O-N 2.84Å; R157-A160 VanDerWaalsContact O-N 3.14Å; R157-V161 WeakPolarHBondContact O-CG2 3.49Å; R157-V161 PolarHBondContact O-N 3.04Å
158L84.1Confident82.1Confident121 Ų121102.6 Ų102.663%0.63447%0.471SS*.Hα-helixtrans-57.9-49.3176.3-69.4175000111K154 E155 A160 V161 E162K154-L158 WeakPolarHBondContact O-CG 3.01Å; K154-L158 PolarHBondContact O-N 3.26Å; E155-L158 PolarHBondContact O-N 2.92Å; L158-A160 VanDerWaalsContact C-N 3.29Å; L158-A160 PolarHBondContact O-N 3.49Å; L158-V161 PolarHBondContact O-N 3.33Å; L158-V161 VanDerWaalsContact O-N 3.14Å; L158-E162 WeakPolarHBondContact O-CB 3.5Å; L158-E162 PolarHBondContact O-N 2.96Å
159H78.7Confident80.6Confident80 Ų8099.1 Ų99.137%0.3746%0.463SS..Hα-helixtrans-59.8-37.2176.3-180-80.1000112.8E155 R157 K163E155-H159 WeakPolarHBondContact O-CB 3.44Å; E155-H159 PolarHBondContact O-N 3.08Å; R157-H159 PolarHBondContact O-N 2.79Å; H159-K163 WeakPolarHBondContact O-CB 3.5Å; H159-K163 PolarHBondContact O-N 3.34Å
160A81.3Confident79Confident45 Ų4597.7 Ų97.737%0.37245%0.454SS..Hα-helixtrans-68.6-38.5176.700000112.5K156 R157 L158 R164K156-A160 WeakPolarHBondContact O-CB 3.29Å; K156-A160 PolarHBondContact O-N 3.48Å; R157-A160 PolarHBondContact O-N 2.84Å; R157-A160 VanDerWaalsContact O-N 3.14Å; L158-A160 VanDerWaalsContact C-N 3.29Å; L158-A160 PolarHBondContact O-N 3.49Å; A160-R164 VanDerWaalsContact O-CG 3.28Å; A160-R164 WeakPolarHBondContact O-CG 3.45Å; A160-R164 PolarHBondContact O-N 3.44Å; A160-R164 VanDerWaalsContact O-N 3.14Å
161V80.2Confident77.2Confident37 Ų3799.8 Ų99.822%0.22447%0.465CS..Hα-helixtrans-66.2-49.1174.2172.90000110.1R157 L158 K163 R164 L165R157-V161 WeakPolarHBondContact O-CG2 3.49Å; R157-V161 PolarHBondContact O-N 3.04Å; L158-V161 PolarHBondContact O-N 3.33Å; L158-V161 VanDerWaalsContact O-N 3.14Å; V161-K163 VanDerWaalsContact C-N 3.35Å; V161-K163 PolarHBondContact O-N 2.8Å; V161-R164 WeakPolarHBondContact O-CB 3.42Å; V161-R164 PolarHBondContact O-N 2.98Å; V161-L165 HydrophobicContact CG1-CD1 3.92Å; V161-L165 HydrophobicContact CG1-CG 4.37Å; V161-L165 WeakPolarHBondContact O-CG 3.33Å; V161-L165 PolarHBondContact O-N 3.39Å
162E74.6Confident75.3Confident82 Ų82103.5 Ų103.538%0.38348%0.479SS..Hα-helixtrans-56.6-47.7178.1-152.4-162.5174.600111.3L158 R164 L165 T166 H170L158-E162 WeakPolarHBondContact O-CB 3.5Å; L158-E162 PolarHBondContact O-N 2.96Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 3.07Å; E162-L165 PolarHBondContact O-N 3.46Å; E162-L165 VanDerWaalsContact O-N 3.16Å; E162-T166 PolarHBondContact O-N 2.91Å; E162-T166 PolarHBondContact O-OG1 3.12Å; E162-T166 VanDerWaalsContact O-OG1 3.06Å; E162-H170 VanDerWaalsContact CG-CE1 3.45Å; E162-H170 WeakPolarHBondContact CG-CE1 3.34Å; E162-H170 IonicContact OE1-CE1 3.25Å; E162-H170 PolarHBondContact OE1-CE1 3.15Å; E162-H170 IonicContact OE1-CG 3.23Å; E162-H170 IonicContact OE1-ND1 3.91Å; E162-H170 PolarHBondContact OE1-ND1 2.97Å; E162-H170 IonicContact OE1-NE2 3.17Å; E162-H170 IonicContact OE2-CE1 2.74Å; E162-H170 IonicContact OE2-ND1 3.7Å; E162-H170 PolarHBondContact OE2-ND1 2.98Å
163K74.3Confident73.4Confident64 Ų64102 Ų10228%0.27848%0.478SS..Hα-helixtrans-61.6-32.9176.4-175.4173.6-178.21720112.9H159 V161 G167 E169H159-K163 WeakPolarHBondContact O-CB 3.5Å; H159-K163 PolarHBondContact O-N 3.34Å; V161-K163 VanDerWaalsContact C-N 3.35Å; V161-K163 PolarHBondContact O-N 2.8Å; K163-G167 VanDerWaalsContact O-CA 3.29Å; K163-G167 WeakPolarHBondContact O-CA 3.38Å; K163-G167 PolarHBondContact O-N 3.13Å; K163-G167 VanDerWaalsContact O-N 3.08Å; K163-E169 IonicContact NZ-OE1 2.73Å; K163-E169 PolarHBondContact NZ-OE1 3.13Å
164R72.1Confident71.8Confident180 Ų180104.3 Ų104.368%0.67949%0.491SS*.Hα-helixtrans-72.3-39.1175.2-77.3173.1178.4-176.4-0.5111.8A160 V161 E162A160-R164 VanDerWaalsContact O-CG 3.28Å; A160-R164 WeakPolarHBondContact O-CG 3.45Å; A160-R164 PolarHBondContact O-N 3.44Å; A160-R164 VanDerWaalsContact O-N 3.14Å; V161-R164 WeakPolarHBondContact O-CB 3.42Å; V161-R164 PolarHBondContact O-N 2.98Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 3.07Å
165L71.6Confident70Confident96 Ų96102.3 Ų102.350%0.50349%0.49SS..Hα-helixtrans-73.7-50.1-179-70.5173.9000112.1V161 E162 V202V161-L165 HydrophobicContact CG1-CD1 3.92Å; V161-L165 HydrophobicContact CG1-CG 4.37Å; V161-L165 WeakPolarHBondContact O-CG 3.33Å; V161-L165 PolarHBondContact O-N 3.39Å; E162-L165 PolarHBondContact O-N 3.46Å; E162-L165 VanDerWaalsContact O-N 3.16Å; L165-V202 HydrophobicContact CD2-CG1 4.16Å; L165-V202 HydrophobicContact CD2-CG2 4.46Å
166T73.2Confident68.6Low60 Ų60103.2 Ų103.237%0.36849%0.492SS..Hα-helixtrans-80.7-25.1-177.164.40000111.6E162 F168 H170E162-T166 PolarHBondContact O-N 2.91Å; E162-T166 PolarHBondContact O-OG1 3.12Å; E162-T166 VanDerWaalsContact O-OG1 3.06Å; T166-F168 WeakPolarHBondContact O-CD2 3.3Å; T166-F168 PolarHBondContact O-N 2.97Å; T166-F168 VanDerWaalsContact O-N 3.14Å; T166-F168 PolarHBondContact OG1-N 3.4Å; T166-F168 PolarHBondContact OG1-O 3.15Å; T166-H170 PolarHBondContact OG1-CE1 3.45Å; T166-H170 PolarHBondContact OG1-NE2 3.13Å
167G63Low66.6Low12 Ų12105.9 Ų105.912%0.12450%0.504CS..  trans69.6-0.3-172.200000113.7K163K163-G167 VanDerWaalsContact O-CA 3.29Å; K163-G167 WeakPolarHBondContact O-CA 3.38Å; K163-G167 PolarHBondContact O-N 3.13Å; K163-G167 VanDerWaalsContact O-N 3.08Å
168F55.6Low64.9Low96 Ų96104.4 Ų104.442%0.42151%0.51SS..SBendtrans-105.4134.1178.7-67-81.1000109.8T166 H170 P191T166-F168 WeakPolarHBondContact O-CD2 3.3Å; T166-F168 PolarHBondContact O-N 2.97Å; T166-F168 VanDerWaalsContact O-N 3.14Å; T166-F168 PolarHBondContact OG1-N 3.4Å; T166-F168 PolarHBondContact OG1-O 3.15Å; F168-H170 PolarHBondContact O-N 3.25Å; F168-P191 HydrophobicContact CD1-CB 3.45Å; F168-P191 VanDerWaalsContact CD1-CB 3.45Å; F168-P191 HydrophobicContact CD1-CG 4.2Å; F168-P191 HydrophobicContact CE1-CB 3.43Å; F168-P191 VanDerWaalsContact CE1-CB 3.43Å; F168-P191 HydrophobicContact CE1-CG 3.73Å
169E62.4Low63.6Low113 Ų113105.3 Ų105.353%0.52851%0.511SS..  trans-75.6108.8165.1-167.9161.7-118.800106.4K163 L171K163-E169 IonicContact NZ-OE1 2.73Å; K163-E169 PolarHBondContact NZ-OE1 3.13Å; E169-L171 HydrophobicContact CB-CD1 4.42Å; E169-L171 HydrophobicContact CG-CD1 4.26Å; E169-L171 PolarHBondContact O-N 3.38Å
170H58.9Low62.6Low60 Ų60107.3 Ų107.328%0.27853%0.529SS..  trans-65.180.9177.8-56.1107.8000109.6E162 T166 F168 Q172E162-H170 VanDerWaalsContact CG-CE1 3.45Å; E162-H170 WeakPolarHBondContact CG-CE1 3.34Å; E162-H170 IonicContact OE1-CE1 3.25Å; E162-H170 PolarHBondContact OE1-CE1 3.15Å; E162-H170 IonicContact OE1-CG 3.23Å; E162-H170 IonicContact OE1-ND1 3.91Å; E162-H170 PolarHBondContact OE1-ND1 2.97Å; E162-H170 IonicContact OE1-NE2 3.17Å; E162-H170 IonicContact OE2-CE1 2.74Å; E162-H170 IonicContact OE2-ND1 3.7Å; E162-H170 PolarHBondContact OE2-ND1 2.98Å; T166-H170 PolarHBondContact OG1-CE1 3.45Å; T166-H170 PolarHBondContact OG1-NE2 3.13Å; F168-H170 PolarHBondContact O-N 3.25Å; H170-Q172 HydrophobicContact CB-CG 4.39Å; H170-Q172 PolarHBondContact O-N 3.5Å
171L55.5Low61.2Low116 Ų116109 Ų10961%0.60753%0.534SS*.  trans-67.780.4156.2-88.193.7000106.3E169 D173E169-L171 HydrophobicContact CB-CD1 4.42Å; E169-L171 HydrophobicContact CG-CD1 4.26Å; E169-L171 PolarHBondContact O-N 3.38Å; L171-D173 PolarHBondContact O-N 3.04Å; L171-D173 VanDerWaalsContact O-N 3.09Å
172Q55.6Low60.1Low151 Ų151115 Ų11571%0.70656%0.561SS**  trans-69.7104.6163.6-70.1-169.7-5.400106.9H170 K174H170-Q172 HydrophobicContact CB-CG 4.39Å; H170-Q172 PolarHBondContact O-N 3.5Å; Q172-K174 PolarHBondContact O-N 3.08Å
173D53.4Low59.1Low91 Ų91114 Ų11449%0.48757%0.567SS.*  trans-61.4107.5167.2-77.6-20.6000107.5L171 V175L171-D173 PolarHBondContact O-N 3.04Å; L171-D173 VanDerWaalsContact O-N 3.09Å; D173-V175 HydrophobicContact CB-CG2 4.35Å; D173-V175 PolarHBondContact O-N 3.28Å
174K59.9Low58.5Low193 Ų193116.1 Ų116.184%0.83959%0.588SS**  trans-71.478.3171-66.6-175.2-178.3-1770107.9Q172 K176Q172-K174 PolarHBondContact O-N 3.08Å; K174-K176 PolarHBondContact O-N 3.06Å; K174-K176 VanDerWaalsContact O-N 3.16Å
175V54.7Low58Low92 Ų92111 Ų11156%0.55858%0.578SS**  trans-63.3115.3170.9-175.10000106.7D173 F177 V181D173-V175 HydrophobicContact CB-CG2 4.35Å; D173-V175 PolarHBondContact O-N 3.28Å; V175-F177 PolarHBondContact O-N 3.15Å; V175-V181 HydrophobicContact CG1-CG2 4.01Å
176K57.8Low57.2Low157 Ų157111.8 Ų111.868%0.68359%0.586SS**  trans-73.5112.1172.3-71.5176.7-174.4165.50106.9K174 N178 E179K174-K176 PolarHBondContact O-N 3.06Å; K174-K176 VanDerWaalsContact O-N 3.16Å; K176-N178 PolarHBondContact O-N 2.83Å; K176-E179 PolarHBondContact O-N 3.25Å; K176-E179 VanDerWaalsContact O-N 3.08Å
177F44.5Very low56.3Low194 Ų194116 Ų11685%0.85160%0.601SS**THydrogen-bonded Turntrans-51.6125.5170.5-138.6-98000108.3V175V175-F177 PolarHBondContact O-N 3.15Å
178N52.3Low56Low153 Ų153123.2 Ų123.282%0.81864%0.636SS**THydrogen-bonded Turntrans96.71.6-173.3-50.3-10.9000117.5K176K176-N178 PolarHBondContact O-N 2.83Å
179E55.4Low55.8Low140 Ų140123.1 Ų123.165%0.65464%0.643SS**SBendtrans-79.6119.2155.6-123.5168.4175.800107.3K176 V181K176-E179 PolarHBondContact O-N 3.25Å; K176-E179 VanDerWaalsContact O-N 3.08Å; E179-V181 VanDerWaalsContact C-N 3.29Å; E179-V181 WeakPolarHBondContact O-CG2 3.29Å; E179-V181 PolarHBondContact O-N 3.23Å
180V57.5Low55.3Low122 Ų122126.8 Ų126.874%0.73966%0.658SS**  trans-65.397171.5178.70000106.5M182V180-M182 VanDerWaalsContact C-N 3.32Å; V180-M182 HydrophobicContact CG1-CG 4.21Å; V180-M182 HydrophobicContact CG1-SD 3.85Å; V180-M182 PolarHBondContact O-N 3.07Å
181V53.2Low55.1Low79 Ų79128.1 Ų128.148%0.47967%0.672SS.*  trans-74.689.6178.8179.20000107.1V175 E179 A183V175-V181 HydrophobicContact CG1-CG2 4.01Å; E179-V181 VanDerWaalsContact C-N 3.29Å; E179-V181 WeakPolarHBondContact O-CG2 3.29Å; E179-V181 PolarHBondContact O-N 3.23Å; V181-A183 WeakPolarHBondContact CG1-O 3.47Å; V181-A183 PolarHBondContact O-N 2.79Å
182M57Low55Low164 Ų164131.3 Ų131.381%0.80868%0.681SS**SBendtrans-67.3-12.8-179.5-78.2-57.4-3500114V180V180-M182 VanDerWaalsContact C-N 3.32Å; V180-M182 HydrophobicContact CG1-CG 4.21Å; V180-M182 HydrophobicContact CG1-SD 3.85Å; V180-M182 PolarHBondContact O-N 3.07Å
183A54Low54.6Low60 Ų60130.3 Ų130.350%0.49668%0.678SS.*SBendtrans-145.3138.317600000109.6V181V181-A183 WeakPolarHBondContact CG1-O 3.47Å; V181-A183 PolarHBondContact O-N 2.79Å
184P60.7Low54.8Low110 Ų110129.5 Ų129.571%0.71468%0.676SS**  trans-53.2141.2176.521.6-31.2000109.9V186P184-V186 PolarHBondContact O-N 2.8Å
185P61.9Low54.3Low73 Ų73126.6 Ų126.647%0.47466%0.663SS.*  trans-55.2113.4-178.218.6-29.2000110H187P185-H187 PolarHBondContact O-N 2.97Å
186V55.8Low54.1Low111 Ų111131.3 Ų131.367%0.67368%0.676SS**  trans-79.1111176.7-177.90000106.9P184 L188P184-V186 PolarHBondContact O-N 2.8Å; V186-L188 HydrophobicContact CG1-CD2 4.41Å; V186-L188 PolarHBondContact O-N 2.85Å
187H54.1Low53.9Low148 Ų148130.8 Ų130.869%0.68567%0.674SS**  trans-60.796.4171.7-67.3108.3000109.4P185 T189P185-H187 PolarHBondContact O-N 2.97Å; H187-T189 PolarHBondContact O-N 3.16Å
188L55.4Low54.5Low165 Ų165129.4 Ų129.486%0.86467%0.668SS**SBendtrans-65.7-10.4-178.8-66.1179.9000113.1V186V186-L188 HydrophobicContact CG1-CD2 4.41Å; V186-L188 PolarHBondContact O-N 2.85Å
189T52Low54.7Low93 Ų93129.2 Ų129.257%0.57167%0.666SS**SBendtrans-131.5120.917853.10000109.4H187H187-T189 PolarHBondContact O-N 3.16Å
190K51.9Low54.8Low190 Ų190129.5 Ų129.583%0.82667%0.672SS**  trans-54.4130.3165.3-64.3-177.8-179-177.40107.7K192K190-K192 PolarHBondContact O-N 3.36Å; K190-K192 VanDerWaalsContact O-N 3.13Å
191P55.3Low54.8Low89 Ų89129.9 Ų129.958%0.57867%0.666SS**  trans-58.3124.4176.223.2-31.8000109F168 M193F168-P191 HydrophobicContact CD1-CB 3.45Å; F168-P191 VanDerWaalsContact CD1-CB 3.45Å; F168-P191 HydrophobicContact CD1-CG 4.2Å; F168-P191 HydrophobicContact CE1-CB 3.43Å; F168-P191 VanDerWaalsContact CE1-CB 3.43Å; F168-P191 HydrophobicContact CE1-CG 3.73Å; P191-M193 PolarHBondContact O-N 3.18Å
192K53.3Low54.8Low183 Ų183128.2 Ų128.280%0.79666%0.656SS**  trans-82113.6174.3-74.1-174.5175.7-175.70107.7K190 V194K190-K192 PolarHBondContact O-N 3.36Å; K190-K192 VanDerWaalsContact O-N 3.13Å; K192-V194 WeakPolarHBondContact O-CG2 3.5Å; K192-V194 PolarHBondContact O-N 3.08Å; K192-V194 VanDerWaalsContact O-N 3.13Å
193M46.3Very low54.9Low130 Ų130126.1 Ų126.164%0.6464%0.643SS**  trans-59.2114.6166.3-87.7-142-59.500108.8P191 K196P191-M193 PolarHBondContact O-N 3.18Å; M193-K196 HydrophobicContact CE-CG 4.05Å
194V57.9Low55.4Low74 Ų74127 Ų12745%0.44865%0.646SS.*  trans-90.1-23.6-178.6-165.60000111.7K192K192-V194 WeakPolarHBondContact O-CG2 3.5Å; K192-V194 PolarHBondContact O-N 3.08Å; K192-V194 VanDerWaalsContact O-N 3.13Å
195F49.5Very low55.3Low131 Ų131127.1 Ų127.158%0.57564%0.64SS**  trans-148.4115.6-179.5-68.9-76.2000113K197F195-K197 VanDerWaalsContact C-N 3.33Å; F195-K197 PolarHBondContact O-N 3.25Å
196K51.6Low55.1Low192 Ų192126 Ų12684%0.83563%0.63SS**  trans-79.582156.1-75.9-174.6178.2-177.40107.8M193M193-K196 HydrophobicContact CE-CG 4.05Å
197K52.8Low55.3Low145 Ų145127.1 Ų127.163%0.6363%0.626SS**  trans-107128.1161.8-76.7-163.4173.9-168.70108.4F195F195-K197 VanDerWaalsContact C-N 3.33Å; F195-K197 PolarHBondContact O-N 3.25Å
198K57Low55.4Low165 Ų165125.7 Ų125.772%0.71762%0.623SS**  trans-58.3138.3171.1-70.3-175.2176.9-176.60107.7D200 Q201K198-D200 PolarHBondContact O-N 3.27Å; K198-Q201 PolarHBondContact O-N 3.36Å
199L56Low55.4Low150 Ų150124.1 Ų124.179%0.78562%0.615SS**G310 helixtrans-53.4-26.6-177.5-129.3134.8000112.3Q201 V202L199-Q201 PolarHBondContact O-N 3.45Å; L199-V202 WeakPolarHBondContact O-CG2 3.37Å; L199-V202 PolarHBondContact O-N 3.47Å
200D58.9Low55.2Low146 Ų146125 Ų12578%0.78162%0.62SS**G310 helixtrans-67.6-14.1177.3-47.2-37.1000114.3K198K198-D200 PolarHBondContact O-N 3.27Å
201Q56.5Low54.6Low129 Ų129124.2 Ų124.260%0.60363%0.631SS**G310 helixtrans-94.35.5176.8-76.9-176.2-4.100114K198 L199 H203K198-Q201 PolarHBondContact O-N 3.36Å; L199-Q201 PolarHBondContact O-N 3.45Å; Q201-H203 PolarHBondContact O-N 3.38Å
202V54.1Low54.5Low44 Ų44126 Ų12627%0.26763%0.634SS.*SBendtrans-72116.8174.8-1790000109L165 L199 D206L165-V202 HydrophobicContact CD2-CG1 4.16Å; L165-V202 HydrophobicContact CD2-CG2 4.46Å; L199-V202 WeakPolarHBondContact O-CG2 3.37Å; L199-V202 PolarHBondContact O-N 3.47Å; V202-D206 HydrophobicContact CG1-CB 4.05Å
203H57.6Low54.6Low120 Ų120123 Ų12356%0.55663%0.626SS**  trans-57.5138.8-176.7-158-75.4000110.6Q201 L205 D206Q201-H203 PolarHBondContact O-N 3.38Å; H203-L205 PolarHBondContact O-N 3.24Å; H203-L205 VanDerWaalsContact O-N 3.12Å; H203-D206 PolarHBondContact O-N 3.18Å
204S65.8Low55.1Low78 Ų78122.6 Ų122.655%0.54563%0.625SS.*Hα-helixtrans-53.9-36.3-174.952.30000114D206 K207S204-D206 VanDerWaalsContact C-N 3.28Å; S204-D206 PolarHBondContact O-N 2.88Å; S204-K207 WeakPolarHBondContact O-CB 3.27Å; S204-K207 PolarHBondContact O-N 3.29Å; S204-K207 VanDerWaalsContact O-N 3.1Å
205L58Low54.9Low114 Ų114125.5 Ų125.560%0.59764%0.635SS**Hα-helixtrans-62.1-30.9176.9-64.4178.3000113.7H203 K207 L208H203-L205 PolarHBondContact O-N 3.24Å; H203-L205 VanDerWaalsContact O-N 3.12Å; L205-K207 VanDerWaalsContact C-N 3.3Å; L205-L208 PolarHBondContact O-N 3.25Å
206D57Low55.2Low50 Ų50125.1 Ų125.127%0.26764%0.639SS.*Hα-helixtrans-74.7-23.7177-70.2-21.5000111.3V202 H203 S204 L208V202-D206 HydrophobicContact CG1-CB 4.05Å; H203-D206 PolarHBondContact O-N 3.18Å; S204-D206 VanDerWaalsContact C-N 3.28Å; S204-D206 PolarHBondContact O-N 2.88Å; D206-L208 VanDerWaalsContact C-N 3.35Å
207K59.8Low55.5Low133 Ų133120.7 Ų120.758%0.57863%0.626SS**Hα-helixtrans-73.5-22.9175-60.5-177.3-179.8-178.10113.4S204 L205 T210S204-K207 WeakPolarHBondContact O-CB 3.27Å; S204-K207 PolarHBondContact O-N 3.29Å; S204-K207 VanDerWaalsContact O-N 3.1Å; L205-K207 VanDerWaalsContact C-N 3.3Å; K207-T210 PolarHBondContact O-OG1 2.83Å
208L57.1Low55.7Low118 Ų118118.9 Ų118.962%0.61863%0.626SS**G310 helixtrans-80.9-15.3-178-95.2148.2000113.6L205 D206 T210L205-L208 PolarHBondContact O-N 3.25Å; D206-L208 VanDerWaalsContact C-N 3.35Å; L208-T210 VanDerWaalsContact C-N 3.26Å; L208-T210 PolarHBondContact O-N 3.44Å
209L55.3Low55.6Low133 Ų133115.4 Ų115.470%0.69662%0.619SS**G310 helixtrans-84.92.1177-78166.6000113.6
210T48.5Very low55.5Low110 Ų110112.5 Ų112.568%0.67561%0.605SS**G310 helixtrans-102.2-4.1178.743.10000114.8K207 L208K207-T210 PolarHBondContact O-OG1 2.83Å; L208-T210 VanDerWaalsContact C-N 3.26Å; L208-T210 PolarHBondContact O-N 3.44Å
211T37.7Very low55.2Low175 Ų175109.5 Ų109.5100%1.07459%0.589SS**  trans-105.20169.455.30000110.4

Retrieved 211 of 211 residues in 71.9 ms (Link to these results)