A0A090N8N3_HUMAN Loading...

Zinc finger protein 212

AlphaFold DB (Q9UDV6), UniProt , Accession A0A090N8N3, Species HUMAN (Homo sapiens, Human), Gene ZNF212, Length 495 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
1M47.6Very low46.4Very low241 Ų241171.4 Ų171.4100%1.18789%0.885SS**  097.80-68.7-109.1169.700106.2E3M1-E3 PolarHBondContact O-N 3.3Å
2A42Very low46.4Very low102 Ų102174.3 Ų174.384%0.84389%0.886SS**PPolyproline II helixtrans-80.2117.9-173.300000109.3S4A2-S4 PolarHBondContact O-N 3.07Å
3E44.5Very low46.1Very low196 Ų196179.7 Ų179.792%0.91689%0.889SS**PPolyproline II helixtrans-67.7117.6-177.5-70178.7147.400111M1 A5M1-E3 PolarHBondContact O-N 3.3Å; E3-A5 PolarHBondContact O-N 2.94Å
4S47.1Very low45.8Very low120 Ų120184.3 Ų184.384%0.83989%0.891SS**PPolyproline II helixtrans-67120.9179.1-55.50000111.3A2A2-S4 PolarHBondContact O-N 3.07Å
5A47.1Very low45.5Very low94 Ų94179.9 Ų179.978%0.77789%0.887SS**PPolyproline II helixtrans-63.6146.3175.900000112.7E3E3-A5 PolarHBondContact O-N 2.94Å
6P49.2Very low45.5Very low127 Ų127176.4 Ų176.483%0.82588%0.879SS**PPolyproline II helixtrans-78.3137.7-168.229.9-33.8000113.4R8P6-R8 PolarHBondContact O-N 2.9Å
7A49.3Very low45.4Very low89 Ų89173.2 Ų173.274%0.73687%0.874SS**PPolyproline II helixtrans-65.4125.1179.900000112.6H9A7-H9 PolarHBondContact O-N 3.28Å
8R45Very low45Very low248 Ų248173.4 Ų173.494%0.93688%0.877SS**  trans-67.9109.4171.5-87.8-179.1169.9-152.2-1.6110.6P6 R10P6-R8 PolarHBondContact O-N 2.9Å; R8-R10 PolarHBondContact O-N 3.37Å
9H49.7Very low44.9Very low184 Ų184171.7 Ų171.785%0.85288%0.876SS**  trans-66.5112.5168.7-82.4-76.1000111.4A7 R11A7-H9 PolarHBondContact O-N 3.28Å; H9-R11 PolarHBondContact O-N 3.06Å
10R45Very low44.6Very low243 Ų243168.7 Ų168.792%0.91787%0.872SS**  trans-75.1101.2174.9-152.9178-172.4-1672.5108.9R8 K12R8-R10 PolarHBondContact O-N 3.37Å; R10-K12 PolarHBondContact O-N 3.3Å
11R44.4Very low44.4Very low241 Ų241165.6 Ų165.691%0.90987%0.865SS**  trans-64.9112.3173.5-84.2-174.7173.4-170.2-1.4110H9 R13H9-R11 PolarHBondContact O-N 3.06Å; R11-R13 PolarHBondContact O-N 3.28Å
12K46.1Very low44Very low207 Ų207160.5 Ų160.590%0.985%0.847SS**  trans-62.5113.7170-78.4175.2174.3176.30109.3R10 R14R10-K12 PolarHBondContact O-N 3.3Å; K12-R14 PolarHBondContact O-N 2.64Å
13R42.5Very low43.8Very low244 Ų244162.9 Ų162.992%0.92185%0.845SS**  trans-71.6113.5167.1-73.3-176.6173.8-139.6-0.4108R11 S15R11-R13 PolarHBondContact O-N 3.28Å; R13-S15 PolarHBondContact O-N 3.38Å
14R41.9Very low43.9Very low244 Ų244159.2 Ų159.292%0.92184%0.838SS**  trans-73.3115.4166.2-93.5-177.7175.1-145.8-0.3107.9K12K12-R14 PolarHBondContact O-N 2.64Å
15S41.6Very low43.5Very low118 Ų118159.1 Ų159.183%0.82584%0.838SS**  trans-76.6109.1167.6390000109.2R13R13-S15 PolarHBondContact O-N 3.38Å
16T45.3Very low43.4Very low125 Ų125163.2 Ų163.277%0.76784%0.841SS**  trans-87.2138.1167.438.20000110.1
17P44.6Very low42.8Very low121 Ų121162 Ų16279%0.78684%0.842SS**  trans-76.5143.6-170.2-8.326.3000112.2T19P17-T19 PolarHBondContact O-N 3.17Å
18L38Very low42.4Very low177 Ų177163.2 Ų163.293%0.92784%0.84SS**  trans-68112.8175.5-66.9156.2000109.7
19T41.6Very low42Very low141 Ų141158.6 Ų158.687%0.86583%0.829SS**PPolyproline II helixtrans-78.6129.6166.138.70000110P17P17-T19 PolarHBondContact O-N 3.17Å
20S40.4Very low41.5Very low112 Ų112158.3 Ų158.378%0.78383%0.825SS**PPolyproline II helixtrans-56.8136.9-173.947.20000114.6
21S39.3Very low41.3Very low104 Ų104152.2 Ų152.273%0.72782%0.82SS**PPolyproline II helixtrans-64.9125.5173570000112.7
22T40.1Very low41Very low133 Ų133146.2 Ų146.282%0.81681%0.814SS**  trans-99.4113.3157-56.50000107.3P24T22-P24 WeakPolarHBondContact O-CD 3.32Å
23L37.8Very low40.8Very low152 Ų152145.3 Ų145.380%0.79681%0.807SS**  trans-82.4123174-79.9155.8000109.6
24P46.6Very low40.8Very low119 Ų119141.3 Ų141.377%0.77380%0.796SS**  trans-96.6106.3157.37.313.6000108.4T22 Q26T22-P24 WeakPolarHBondContact O-CD 3.32Å; P24-Q26 PolarHBondContact O-N 3.35Å
25S39.2Very low41Very low119 Ų119138.9 Ų138.983%0.83280%0.795SS**  trans-66.9103.9163.8-750000109.3
26Q44.4Very low41.5Very low180 Ų180138.5 Ų138.584%0.84179%0.788SS**  trans-134.8101.4152.6-71.7-1583100108.7P24P24-Q26 PolarHBondContact O-N 3.35Å
27A35.3Very low42.2Very low102 Ų102138.5 Ų138.584%0.84379%0.788SS**  trans-99.497.2170.500000107.7
28T42.2Very low43.6Very low113 Ų113141.2 Ų141.269%0.69379%0.791SS**  trans-145.29316345.30000106.7
29E36.5Very low45.5Very low151 Ų151138.5 Ų138.571%0.70678%0.775SS**  73.3105.3108.6-77.6-158.8121.600115.2
30K38.1Very low47.6Very low179 Ų179134.5 Ų134.578%0.77875%0.754SS**  trans60.285.8134.7-60.7168.3-176.81510116.9
31S40.9Very low49.8Very low115 Ų115135.7 Ų135.780%0.80475%0.75SS**  trans-145.979.9138.1-167.70000109Y33S31-Y33 VanDerWaalsContact C-N 3.32Å; S31-Y33 PolarHBondContact O-N 3.38Å; S31-Y33 VanDerWaalsContact O-N 3.16Å
32S38.9Very low52.2Low114 Ų114140.5 Ų140.580%0.79775%0.753SS**  trans-78.184.1168.260.90000107.8
33Y41Very low54.6Low188 Ų188138 Ų13874%0.73774%0.737SS**SBendtrans-162.1115.2162.3-127.6-127000109S31S31-Y33 VanDerWaalsContact C-N 3.32Å; S31-Y33 PolarHBondContact O-N 3.38Å; S31-Y33 VanDerWaalsContact O-N 3.16Å
34F44.1Very low57.2Low160 Ų160134.2 Ų134.270%0.70272%0.72SS**  trans5668.4169.1-59-73.2000118T36F34-T36 VanDerWaalsContact C-N 3.33Å; F34-T36 PolarHBondContact O-N 3.17Å
35Q45.9Very low59.4Low193 Ų193131 Ų13190%0.90270%0.698SS**  trans-85.987.2143.7-73.4-170.1-4.500107.4T37Q35-T37 PolarHBondContact O-N 2.94Å
36T51.4Low62Low111 Ų111128 Ų12868%0.68168%0.68SS**  trans-53.7109157.136.80000106.4F34 E38F34-T36 VanDerWaalsContact C-N 3.33Å; F34-T36 PolarHBondContact O-N 3.17Å; T36-E38 PolarHBondContact O-N 3.33Å
37T60.1Low64.4Low124 Ų124122 Ų12276%0.76166%0.662SS**  trans-61.592.4173.650.70000107.4Q35 I39Q35-T37 PolarHBondContact O-N 2.94Å; T37-I39 VanDerWaalsContact C-N 3.34Å; T37-I39 PolarHBondContact O-N 3.02Å
38E72.8Confident67.2Low179 Ų179121.4 Ų121.484%0.83664%0.644SS**  trans-61103.4169.3-71.9-175.3166.300106.4T36 S40T36-E38 PolarHBondContact O-N 3.33Å; E38-S40 PolarHBondContact O-N 3.09Å; E38-S40 VanDerWaalsContact O-N 3.15Å
39I78.4Confident69.7Low119 Ų119120.6 Ų120.661%0.6163%0.632SS**  trans-59.5121.8171.8-63.9165.4000105.4T37 L41 T43 V44T37-I39 VanDerWaalsContact C-N 3.34Å; T37-I39 PolarHBondContact O-N 3.02Å; I39-L41 PolarHBondContact O-N 3.1Å; I39-T43 HydrophobicContact CG2-CG2 4Å; I39-V44 HydrophobicContact CG2-CG2 3.85Å
40S86Confident72.5Confident58 Ų58116.3 Ų116.341%0.40662%0.623SS.*  trans-58.7139.6-179.9820000109.8E38 W42 T43 V44E38-S40 PolarHBondContact O-N 3.09Å; E38-S40 VanDerWaalsContact O-N 3.15Å; S40-W42 PolarHBondContact O-N 2.89Å; S40-W42 VanDerWaalsContact O-N 3.1Å; S40-T43 WeakPolarHBondContact O-CA 3.47Å; S40-T43 VanDerWaalsContact O-CB 3.31Å; S40-T43 WeakPolarHBondContact O-CB 3.49Å; S40-T43 PolarHBondContact O-N 2.9Å; S40-T43 PolarHBondContact OG-N 3.1Å; S40-T43 PolarHBondContact OG-OG1 3.47Å; S40-V44 PolarHBondContact O-N 3.15Å
41L87.8Confident75.2Confident137 Ų137112.5 Ų112.572%0.71761%0.614SS**Hα-helixtrans-53.4-33.9177.3-173.7136000111.7I39 T43 V44 V45I39-L41 PolarHBondContact O-N 3.1Å; L41-T43 PolarHBondContact O-N 3.33Å; L41-V44 PolarHBondContact O-N 3.34Å; L41-V45 HydrophobicContact CD2-CG2 4.12Å; L41-V45 WeakPolarHBondContact O-CG2 3.2Å; L41-V45 PolarHBondContact O-N 2.96Å
42W89.3Confident77.9Confident205 Ų205112 Ų11278%0.77760%0.599SS**Hα-helixtrans-60.8-38.3172.8-71.9106.5000113.9S40 V44 V45 A46S40-W42 PolarHBondContact O-N 2.89Å; S40-W42 VanDerWaalsContact O-N 3.1Å; W42-V44 VanDerWaalsContact C-N 3.34Å; W42-V45 PolarHBondContact O-N 2.9Å; W42-A46 VanDerWaalsContact O-CB 3.32Å; W42-A46 WeakPolarHBondContact O-CB 2.83Å; W42-A46 PolarHBondContact O-N 3.15Å
43T90.1Very high80.5Confident80 Ų80113.2 Ų113.249%0.49159%0.59SS.*Hα-helixtrans-64.7-40.6176-50.40000110.9I39 S40 L41 A47I39-T43 HydrophobicContact CG2-CG2 4Å; S40-T43 WeakPolarHBondContact O-CA 3.47Å; S40-T43 VanDerWaalsContact O-CB 3.31Å; S40-T43 WeakPolarHBondContact O-CB 3.49Å; S40-T43 PolarHBondContact O-N 2.9Å; S40-T43 PolarHBondContact OG-N 3.1Å; S40-T43 PolarHBondContact OG-OG1 3.47Å; L41-T43 PolarHBondContact O-N 3.33Å; T43-A47 WeakPolarHBondContact O-CB 3.38Å; T43-A47 PolarHBondContact O-N 2.96Å
44V92Very high83.1Confident72 Ų72110.8 Ų110.844%0.43658%0.583SS.*Hα-helixtrans-65.3-47.3176.1-178.30000110.7I39 S40 L41 W42 A46 A47 I48I39-V44 HydrophobicContact CG2-CG2 3.85Å; S40-V44 PolarHBondContact O-N 3.15Å; L41-V44 PolarHBondContact O-N 3.34Å; W42-V44 VanDerWaalsContact C-N 3.34Å; V44-A46 PolarHBondContact O-N 3.02Å; V44-A47 WeakPolarHBondContact O-CB 3.47Å; V44-A47 PolarHBondContact O-N 2.93Å; V44-I48 HydrophobicContact CG1-CD1 4.07Å; V44-I48 WeakPolarHBondContact O-CG1 3.5Å; V44-I48 PolarHBondContact O-N 2.67Å
45V93.6Very high85.7Confident52 Ų52109.2 Ų109.232%0.31558%0.58SS.*Hα-helixtrans-59.9-44177.2172.10000111.5L41 W42 A47 I48 Q49L41-V45 HydrophobicContact CD2-CG2 4.12Å; L41-V45 WeakPolarHBondContact O-CG2 3.2Å; L41-V45 PolarHBondContact O-N 2.96Å; W42-V45 PolarHBondContact O-N 2.9Å; V45-A47 VanDerWaalsContact C-N 3.32Å; V45-A47 PolarHBondContact O-N 3.07Å; V45-I48 PolarHBondContact O-N 3.43Å; V45-Q49 WeakPolarHBondContact O-CG 3.38Å; V45-Q49 PolarHBondContact O-N 3.04Å
46A93.2Very high88.1Confident55 Ų55106 Ų10646%0.45557%0.565SS.*Hα-helixtrans-63.8-36.8177.500000112.5W42 V44 A50W42-A46 VanDerWaalsContact O-CB 3.32Å; W42-A46 WeakPolarHBondContact O-CB 2.83Å; W42-A46 PolarHBondContact O-N 3.15Å; V44-A46 PolarHBondContact O-N 3.02Å; A46-A50 WeakPolarHBondContact O-CB 3.16Å; A46-A50 PolarHBondContact O-N 2.82Å
47A94.5Very high90.1Very high56 Ų56104 Ų10446%0.46356%0.555SS.*Hα-helixtrans-65.9-42.4174.800000111.7T43 V44 V45 A50 V51T43-A47 WeakPolarHBondContact O-CB 3.38Å; T43-A47 PolarHBondContact O-N 2.96Å; V44-A47 WeakPolarHBondContact O-CB 3.47Å; V44-A47 PolarHBondContact O-N 2.93Å; V45-A47 VanDerWaalsContact C-N 3.32Å; V45-A47 PolarHBondContact O-N 3.07Å; A47-A50 PolarHBondContact O-N 3.31Å; A47-V51 WeakPolarHBondContact O-CG2 3.4Å; A47-V51 PolarHBondContact O-N 3.46Å; A47-V51 VanDerWaalsContact O-N 3.09Å
48I94.3Very high91.9Very high88 Ų88103.5 Ų103.545%0.45154%0.544SS..Hα-helixtrans-62-48.7176-66.5167.4000110.5V44 V45 A50 V51 E52V44-I48 HydrophobicContact CG1-CD1 4.07Å; V44-I48 WeakPolarHBondContact O-CG1 3.5Å; V44-I48 PolarHBondContact O-N 2.67Å; V45-I48 PolarHBondContact O-N 3.43Å; I48-A50 PolarHBondContact O-N 2.75Å; I48-V51 CarbonylContact O-C 3.6Å; I48-V51 WeakPolarHBondContact O-CA 3.28Å; I48-V51 WeakPolarHBondContact O-CB 3.37Å; I48-V51 PolarHBondContact O-N 2.96Å; I48-E52 HydrophobicContact CG2-CG 4.44Å; I48-E52 PolarHBondContact O-N 3.45Å
49Q95.1Very high93Very high97 Ų9797 Ų9745%0.45352%0.521SS..Hα-helixtrans-60.1-33.5177.1-73.1179.5-800113V45 V51 K53V45-Q49 WeakPolarHBondContact O-CG 3.38Å; V45-Q49 PolarHBondContact O-N 3.04Å; Q49-V51 VanDerWaalsContact C-N 3.35Å; Q49-K53 WeakPolarHBondContact O-CG 3.31Å; Q49-K53 PolarHBondContact O-N 2.91Å; Q49-K53 VanDerWaalsContact O-N 3.1Å
50A95.2Very high93.7Very high61 Ų6194.1 Ų94.150%0.50452%0.515SS..Hα-helixtrans-68.3-35.8174.400000112A46 A47 I48 K54A46-A50 WeakPolarHBondContact O-CB 3.16Å; A46-A50 PolarHBondContact O-N 2.82Å; A47-A50 PolarHBondContact O-N 3.31Å; I48-A50 PolarHBondContact O-N 2.75Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.45Å
51V95.5Very high94.2Very high99 Ų99100.1 Ų100.160%0.653%0.529SS*.Hα-helixtrans-68.7-43.1173.7173.70000111A47 I48 Q49 K53 K54 M55A47-V51 WeakPolarHBondContact O-CG2 3.4Å; A47-V51 PolarHBondContact O-N 3.46Å; A47-V51 VanDerWaalsContact O-N 3.09Å; I48-V51 CarbonylContact O-C 3.6Å; I48-V51 WeakPolarHBondContact O-CA 3.28Å; I48-V51 WeakPolarHBondContact O-CB 3.37Å; I48-V51 PolarHBondContact O-N 2.96Å; Q49-V51 VanDerWaalsContact C-N 3.35Å; V51-K53 PolarHBondContact O-N 3.17Å; V51-K54 WeakPolarHBondContact O-CA 3.46Å; V51-K54 WeakPolarHBondContact O-CB 3.35Å; V51-K54 PolarHBondContact O-N 3.45Å; V51-K54 VanDerWaalsContact O-N 3.09Å; V51-M55 PolarHBondContact O-N 2.96Å
52E95.8Very high94.5Very high104 Ų10498.5 Ų98.549%0.48652%0.52SS..Hα-helixtrans-57.9-49.6176.3-71.8173.1164.600111.6I48 K54 M55 E56I48-E52 HydrophobicContact CG2-CG 4.44Å; I48-E52 PolarHBondContact O-N 3.45Å; E52-K54 PolarHBondContact O-N 3.46Å; E52-M55 WeakPolarHBondContact O-CA 3.37Å; E52-M55 WeakPolarHBondContact O-CB 3.49Å; E52-M55 PolarHBondContact O-N 2.68Å; E52-E56 WeakPolarHBondContact O-CG 3.28Å; E52-E56 PolarHBondContact O-N 3.27Å
53K95.3Very high94.7Very high139 Ų13995.1 Ų95.160%0.60451%0.513SS*.Hα-helixtrans-59.5-33.8175.4-72.3176.1-176.91740112.7Q49 V51 S57Q49-K53 WeakPolarHBondContact O-CG 3.31Å; Q49-K53 PolarHBondContact O-N 2.91Å; Q49-K53 VanDerWaalsContact O-N 3.1Å; V51-K53 PolarHBondContact O-N 3.17Å; K53-S57 WeakPolarHBondContact O-CB 3.27Å; K53-S57 PolarHBondContact O-N 3.39Å
54K95.9Very high94.9Very high137 Ų13794.8 Ų94.860%0.59651%0.514SS*.Hα-helixtrans-70-40.8175.7-169.3173.1-179.1-179.70111A50 V51 E52 S57 Q58A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.45Å; V51-K54 WeakPolarHBondContact O-CA 3.46Å; V51-K54 WeakPolarHBondContact O-CB 3.35Å; V51-K54 PolarHBondContact O-N 3.45Å; V51-K54 VanDerWaalsContact O-N 3.09Å; E52-K54 PolarHBondContact O-N 3.46Å; K54-S57 PolarHBondContact O-N 3.02Å; K54-S57 PolarHBondContact O-OG 3.43Å; K54-Q58 WeakPolarHBondContact O-CG 3.27Å; K54-Q58 PolarHBondContact O-N 3.37Å
55M96.8Very high94.9Very high128 Ų12895 Ų9563%0.63151%0.512SS*.Hα-helixtrans-62.8-45.1175.6-173.8-97.9-162.500111.5V51 E52 S57 Q58 A59V51-M55 PolarHBondContact O-N 2.96Å; E52-M55 WeakPolarHBondContact O-CA 3.37Å; E52-M55 WeakPolarHBondContact O-CB 3.49Å; E52-M55 PolarHBondContact O-N 2.68Å; M55-S57 VanDerWaalsContact C-N 3.35Å; M55-S57 PolarHBondContact O-N 3.5Å; M55-Q58 PolarHBondContact O-N 2.97Å; M55-Q58 VanDerWaalsContact O-N 3.14Å; M55-A59 PolarHBondContact O-N 3.38Å
56E96.3Very high94.8Very high125 Ų12598.6 Ų98.658%0.58453%0.526SS*.Hα-helixtrans-59.5-43.8172.7-69.2172.7172.100112E52 Q58 A59 A60E52-E56 WeakPolarHBondContact O-CG 3.28Å; E52-E56 PolarHBondContact O-N 3.27Å; E56-Q58 VanDerWaalsContact C-N 3.27Å; E56-Q58 PolarHBondContact O-N 3.33Å; E56-A59 PolarHBondContact O-N 2.89Å; E56-A60 PolarHBondContact O-N 3.43Å
57S94.5Very high94.7Very high69 Ų6998.1 Ų98.148%0.48353%0.526SS..Hα-helixtrans-63.5-33.6176.979.60000112.7K53 K54 M55 R61K53-S57 WeakPolarHBondContact O-CB 3.27Å; K53-S57 PolarHBondContact O-N 3.39Å; K54-S57 PolarHBondContact O-N 3.02Å; K54-S57 PolarHBondContact O-OG 3.43Å; M55-S57 VanDerWaalsContact C-N 3.35Å; M55-S57 PolarHBondContact O-N 3.5Å; S57-R61 WeakPolarHBondContact O-CB 3.3Å; S57-R61 PolarHBondContact O-N 2.84Å
58Q96.9Very high94.6Very high113 Ų113103.6 Ų103.653%0.52854%0.535SS..Hα-helixtrans-73.1-40.2175.1-75.1-174.9-4700111.4K54 M55 E56 R61 L62K54-Q58 WeakPolarHBondContact O-CG 3.27Å; K54-Q58 PolarHBondContact O-N 3.37Å; M55-Q58 PolarHBondContact O-N 2.97Å; M55-Q58 VanDerWaalsContact O-N 3.14Å; E56-Q58 VanDerWaalsContact C-N 3.27Å; E56-Q58 PolarHBondContact O-N 3.33Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.06Å; Q58-L62 WeakPolarHBondContact O-CG 3.48Å; Q58-L62 PolarHBondContact O-N 3.01Å
59A96.1Very high94.5Very high42 Ų42102.9 Ų102.935%0.34754%0.535SS..Hα-helixtrans-59.9-46.3174.700000111.8M55 E56 R61 L62 Q63M55-A59 PolarHBondContact O-N 3.38Å; E56-A59 PolarHBondContact O-N 2.89Å; A59-R61 VanDerWaalsContact C-N 3.28Å; A59-R61 PolarHBondContact O-N 3.21Å; A59-L62 PolarHBondContact O-N 2.94Å; A59-Q63 PolarHBondContact O-N 3.27Å
60A94.6Very high94.3Very high59 Ų5999.8 Ų99.849%0.48853%0.529SS..Hα-helixtrans-61.6-36.7175.200000112.4E56 S64E56-A60 PolarHBondContact O-N 3.43Å; A60-S64 PolarHBondContact O-N 3.37Å; A60-S64 VanDerWaalsContact O-N 3.15Å
61R94.7Very high94.2Very high185 Ų185100.7 Ų100.770%0.69853%0.528SS*.Hα-helixtrans-68.7-37.4175.5-176175.1169.1157.2-2.7112.2S57 Q58 A59 S64 L65S57-R61 WeakPolarHBondContact O-CB 3.3Å; S57-R61 PolarHBondContact O-N 2.84Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.06Å; A59-R61 VanDerWaalsContact C-N 3.28Å; A59-R61 PolarHBondContact O-N 3.21Å; R61-S64 PolarHBondContact O-N 3.25Å; R61-L65 WeakPolarHBondContact O-CG 3.28Å; R61-L65 PolarHBondContact O-N 3.3Å; R61-L65 VanDerWaalsContact O-N 3.08Å
62L94.9Very high94Very high103 Ų10398.2 Ų98.254%0.53952%0.518SS..Hα-helixtrans-65.5-46175.8-72.9174.3000111.4Q58 A59 S64 L65 E66Q58-L62 WeakPolarHBondContact O-CG 3.48Å; Q58-L62 PolarHBondContact O-N 3.01Å; A59-L62 PolarHBondContact O-N 2.94Å; L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 PolarHBondContact O-N 3.01Å; L62-L65 CarbonylContact O-C 3.48Å; L62-L65 WeakPolarHBondContact O-CA 3.41Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 PolarHBondContact O-N 3.35Å; L62-E66 WeakPolarHBondContact O-CG 3.22Å; L62-E66 PolarHBondContact O-N 3.5Å
63Q94.1Very high93.9Very high134 Ų13499.3 Ų99.363%0.62652%0.523SS*.Hα-helixtrans-58.9-39.5175.3-71.3176.6-7.700112.5A59 L65 E66 G67A59-Q63 PolarHBondContact O-N 3.27Å; Q63-L65 VanDerWaalsContact C-N 3.31Å; Q63-L65 PolarHBondContact O-N 2.83Å; Q63-E66 PolarHBondContact O-N 3.2Å; Q63-G67 PolarHBondContact O-N 2.85Å
64S93.4Very high93.9Very high73 Ų7399.4 Ų99.451%0.5152%0.524SS..Hα-helixtrans-64.6-35.8174.21790000112.6A60 R61 L62 R68A60-S64 PolarHBondContact O-N 3.37Å; A60-S64 VanDerWaalsContact O-N 3.15Å; R61-S64 PolarHBondContact O-N 3.25Å; L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 PolarHBondContact O-N 3.01Å; S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 2.85Å
65L91.7Very high93.9Very high76 Ų7699.5 Ų99.540%0.39852%0.524SS..Hα-helixtrans-70.6-43.1175.6-74170.7000111.4R61 L62 Q63 G67 R68 T69R61-L65 WeakPolarHBondContact O-CG 3.28Å; R61-L65 PolarHBondContact O-N 3.3Å; R61-L65 VanDerWaalsContact O-N 3.08Å; L62-L65 CarbonylContact O-C 3.48Å; L62-L65 WeakPolarHBondContact O-CA 3.41Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 PolarHBondContact O-N 3.35Å; Q63-L65 VanDerWaalsContact C-N 3.31Å; Q63-L65 PolarHBondContact O-N 2.83Å; L65-G67 VanDerWaalsContact C-N 3.33Å; L65-G67 PolarHBondContact O-N 3.2Å; L65-R68 CarbonylContact O-C 3.55Å; L65-R68 WeakPolarHBondContact O-CA 3.43Å; L65-R68 WeakPolarHBondContact O-CB 3.45Å; L65-R68 PolarHBondContact O-N 3.33Å; L65-T69 WeakPolarHBondContact O-CG2 3.47Å; L65-T69 PolarHBondContact O-N 3.09Å; L65-T69 PolarHBondContact O-OG1 3.48Å
66E93Very high93.8Very high127 Ų12798.6 Ų98.659%0.59352%0.521SS*.Hα-helixtrans-58.1-43.1175.5-72.8170.2179.100111.9L62 Q63 R68 T69 G70L62-E66 WeakPolarHBondContact O-CG 3.22Å; L62-E66 PolarHBondContact O-N 3.5Å; Q63-E66 PolarHBondContact O-N 3.2Å; E66-R68 VanDerWaalsContact C-N 3.31Å; E66-R68 PolarHBondContact O-N 3.48Å; E66-T69 WeakPolarHBondContact CA-OG1 3.45Å; E66-T69 PolarHBondContact O-N 2.93Å; E66-T69 PolarHBondContact O-OG1 3.32Å; E66-G70 PolarHBondContact O-N 3.01Å
67G90.7Very high93.7Very high45 Ų4595.2 Ų95.246%0.46451%0.514SS..Hα-helixtrans-60.8-39.9173.800000112.5Q63 L65 T71Q63-G67 PolarHBondContact O-N 2.85Å; L65-G67 VanDerWaalsContact C-N 3.33Å; L65-G67 PolarHBondContact O-N 3.2Å; G67-T71 WeakPolarHBondContact O-CG2 3.32Å; G67-T71 PolarHBondContact O-N 3.38Å
68R91.7Very high93.8Very high171 Ų17195.8 Ų95.865%0.64551%0.512SS*.Hα-helixtrans-70.4-42.6177.6-71.5170.861.8156.51.5112.1S64 L65 E66 T71 A72S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 2.85Å; L65-R68 CarbonylContact O-C 3.55Å; L65-R68 WeakPolarHBondContact O-CA 3.43Å; L65-R68 WeakPolarHBondContact O-CB 3.45Å; L65-R68 PolarHBondContact O-N 3.33Å; E66-R68 VanDerWaalsContact C-N 3.31Å; E66-R68 PolarHBondContact O-N 3.48Å; R68-T71 PolarHBondContact O-N 2.82Å; R68-T71 PolarHBondContact O-OG1 2.8Å; R68-A72 PolarHBondContact O-N 2.91Å; R68-A72 VanDerWaalsContact O-N 3.07Å
69T92.4Very high93.6Very high73 Ų7393.8 Ų93.845%0.44851%0.51SS..Hα-helixtrans-64.4-42.4177.853.30000110.6L65 E66 T71 A72 E73L65-T69 WeakPolarHBondContact O-CG2 3.47Å; L65-T69 PolarHBondContact O-N 3.09Å; L65-T69 PolarHBondContact O-OG1 3.48Å; E66-T69 WeakPolarHBondContact CA-OG1 3.45Å; E66-T69 PolarHBondContact O-N 2.93Å; E66-T69 PolarHBondContact O-OG1 3.32Å; T69-T71 VanDerWaalsContact C-N 3.32Å; T69-T71 PolarHBondContact O-N 3.43Å; T69-A72 CarbonylContact O-C 3.52Å; T69-A72 WeakPolarHBondContact O-CA 3.07Å; T69-A72 WeakPolarHBondContact O-CB 3.48Å; T69-A72 PolarHBondContact O-N 2.95Å; T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 3.34Å
70G91.8Very high93.6Very high32 Ų3298.1 Ų98.133%0.3352%0.523SS..Hα-helixtrans-59.5-3917500000113.3E66 A72 K74E66-G70 PolarHBondContact O-N 3.01Å; G70-A72 VanDerWaalsContact C-N 3.33Å; G70-A72 PolarHBondContact O-N 2.81Å; G70-K74 PolarHBondContact O-N 3.24Å
71T92.4Very high93.6Very high80 Ų80101.5 Ų101.549%0.49153%0.527SS..Hα-helixtrans-68.3-3117363.20000113.4G67 R68 T69 K75G67-T71 WeakPolarHBondContact O-CG2 3.32Å; G67-T71 PolarHBondContact O-N 3.38Å; R68-T71 PolarHBondContact O-N 2.82Å; R68-T71 PolarHBondContact O-OG1 2.8Å; T69-T71 VanDerWaalsContact C-N 3.32Å; T69-T71 PolarHBondContact O-N 3.43Å; T71-K75 VanDerWaalsContact O-CG 3.3Å; T71-K75 WeakPolarHBondContact O-CG 3.38Å; T71-K75 PolarHBondContact O-N 2.89Å
72A92Very high93.7Very high47 Ų4798 Ų9839%0.38852%0.52SS..Hα-helixtrans-73.3-42.2176.600000111.1R68 T69 G70 K74 K75 L76R68-A72 PolarHBondContact O-N 2.91Å; R68-A72 VanDerWaalsContact O-N 3.07Å; T69-A72 CarbonylContact O-C 3.52Å; T69-A72 WeakPolarHBondContact O-CA 3.07Å; T69-A72 WeakPolarHBondContact O-CB 3.48Å; T69-A72 PolarHBondContact O-N 2.95Å; G70-A72 VanDerWaalsContact C-N 3.33Å; G70-A72 PolarHBondContact O-N 2.81Å; A72-K74 VanDerWaalsContact C-N 3.35Å; A72-K74 PolarHBondContact O-N 3.38Å; A72-K75 PolarHBondContact O-N 3.42Å; A72-L76 WeakPolarHBondContact O-CG 3.5Å; A72-L76 PolarHBondContact O-N 3.29Å
73E93.4Very high93.5Very high127 Ų12796.1 Ų96.159%0.59352%0.519SS*.Hα-helixtrans-59.1-44.6173.8-72.7170.6-178.300111.4T69 K75 L76 A77T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 3.34Å; E73-K75 PolarHBondContact O-N 3.01Å; E73-L76 WeakPolarHBondContact O-CB 3.42Å; E73-L76 PolarHBondContact O-N 2.82Å; E73-A77 PolarHBondContact O-N 3.16Å
74K94.9Very high93.5Very high142 Ų14294 Ų9462%0.61752%0.515SS*.Hα-helixtrans-60-44.2175-175.8173.8179.3174.70112.4G70 A72 L76 A77 D78G70-K74 PolarHBondContact O-N 3.24Å; A72-K74 VanDerWaalsContact C-N 3.35Å; A72-K74 PolarHBondContact O-N 3.38Å; K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.14Å; K74-A77 PolarHBondContact O-N 3.36Å; K74-D78 PolarHBondContact O-N 3.38Å
75K95.2Very high93.5Very high139 Ų13994.7 Ų94.760%0.60451%0.51SS*.Hα-helixtrans-63.6-37.3176.6-72.7172.6-177.6-178.80112.1T71 A72 E73 D78 C79T71-K75 VanDerWaalsContact O-CG 3.3Å; T71-K75 WeakPolarHBondContact O-CG 3.38Å; T71-K75 PolarHBondContact O-N 2.89Å; A72-K75 PolarHBondContact O-N 3.42Å; E73-K75 PolarHBondContact O-N 3.01Å; K75-D78 PolarHBondContact O-N 3.31Å; K75-C79 WeakPolarHBondContact O-CB 3.27Å; K75-C79 PolarHBondContact O-N 2.75Å; K75-C79 PolarHBondContact O-SG 3.42Å
76L95.5Very high93.6Very high109 Ų10997 Ų9757%0.57152%0.517SS*.Hα-helixtrans-64.8-44.8175-74.8166.8000111.1A72 E73 K74 D78 C79 E80A72-L76 WeakPolarHBondContact O-CG 3.5Å; A72-L76 PolarHBondContact O-N 3.29Å; E73-L76 WeakPolarHBondContact O-CB 3.42Å; E73-L76 PolarHBondContact O-N 2.82Å; K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.14Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 2.71Å; L76-C79 WeakPolarHBondContact O-CB 3.49Å; L76-C79 PolarHBondContact O-N 3.25Å; L76-C79 VanDerWaalsContact O-N 3.14Å; L76-E80 WeakPolarHBondContact O-CG 3.44Å; L76-E80 PolarHBondContact O-N 3.35Å
77A94.9Very high93.5Very high53 Ų5392.5 Ų92.544%0.43851%0.505SS..Hα-helixtrans-61.3-41.1175.600000112.4E73 K74 C79 E80 K81E73-A77 PolarHBondContact O-N 3.16Å; K74-A77 PolarHBondContact O-N 3.36Å; A77-C79 VanDerWaalsContact C-N 3.34Å; A77-E80 PolarHBondContact O-N 2.97Å; A77-K81 PolarHBondContact O-N 2.97Å
78D95.3Very high93.6Very high82 Ų8295 Ų9544%0.43951%0.507SS..Hα-helixtrans-63.6-40.2174.2-69.1-28.4000111.4K74 K75 L76 K81 M82K74-D78 PolarHBondContact O-N 3.38Å; K75-D78 PolarHBondContact O-N 3.31Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 2.71Å; D78-K81 PolarHBondContact O-N 3.31Å; D78-M82 WeakPolarHBondContact O-CG 3.44Å; D78-M82 PolarHBondContact O-N 3.25Å; D78-M82 VanDerWaalsContact O-N 3.11Å
79C93.6Very high93.6Very high71 Ų7192.3 Ų92.348%0.4850%0.502SS..Hα-helixtrans-64-42.5174.1-74.60000112.7K75 L76 A77 K81 M82 A83K75-C79 WeakPolarHBondContact O-CB 3.27Å; K75-C79 PolarHBondContact O-N 2.75Å; K75-C79 PolarHBondContact O-SG 3.42Å; L76-C79 WeakPolarHBondContact O-CB 3.49Å; L76-C79 PolarHBondContact O-N 3.25Å; L76-C79 VanDerWaalsContact O-N 3.14Å; A77-C79 VanDerWaalsContact C-N 3.34Å; C79-K81 VanDerWaalsContact C-N 3.35Å; C79-M82 PolarHBondContact O-N 3.2Å; C79-A83 PolarHBondContact O-N 2.89Å
80E94.7Very high93.6Very high133 Ų13391.9 Ų91.962%0.62150%0.497SS*.Hα-helixtrans-61.1-44.2176-74.9175.9177.400111.2L76 A77 M82 A83 V84L76-E80 WeakPolarHBondContact O-CG 3.44Å; L76-E80 PolarHBondContact O-N 3.35Å; A77-E80 PolarHBondContact O-N 2.97Å; E80-M82 PolarHBondContact O-N 3.02Å; E80-A83 WeakPolarHBondContact O-CB 3.44Å; E80-A83 PolarHBondContact O-N 2.8Å; E80-V84 WeakPolarHBondContact O-CG2 3.49Å; E80-V84 PolarHBondContact O-N 3.48Å
81K96.2Very high93.5Very high130 Ų13096.9 Ų96.957%0.56551%0.512SS*.Hα-helixtrans-58.9-47.4176-176.3179.8173.8-174.50112.1A77 D78 C79 A83 V84 E85A77-K81 PolarHBondContact O-N 2.97Å; D78-K81 PolarHBondContact O-N 3.31Å; C79-K81 VanDerWaalsContact C-N 3.35Å; K81-A83 VanDerWaalsContact C-N 3.29Å; K81-A83 PolarHBondContact O-N 2.98Å; K81-V84 PolarHBondContact O-N 3.47Å; K81-E85 WeakPolarHBondContact CE-OE1 3.31Å; K81-E85 WeakPolarHBondContact O-CG 3.4Å; K81-E85 PolarHBondContact O-N 2.97Å
82M95.3Very high93.4Very high112 Ų11295 Ų9555%0.55251%0.508SS*.Hα-helixtrans-60.9-38176.6-72.6-173.3-70.600112.3D78 C79 E80 E85 F86D78-M82 WeakPolarHBondContact O-CG 3.44Å; D78-M82 PolarHBondContact O-N 3.25Å; D78-M82 VanDerWaalsContact O-N 3.11Å; C79-M82 PolarHBondContact O-N 3.2Å; E80-M82 PolarHBondContact O-N 3.02Å; M82-E85 PolarHBondContact O-N 3.32Å; M82-F86 WeakPolarHBondContact O-CB 3.45Å; M82-F86 PolarHBondContact O-N 3.07Å
83A92.3Very high93.4Very high63 Ų6399.1 Ų99.152%0.52152%0.518SS..Hα-helixtrans-66.2-40.1177.400000112.1C79 E80 K81 F86 G87C79-A83 PolarHBondContact O-N 2.89Å; E80-A83 WeakPolarHBondContact O-CB 3.44Å; E80-A83 PolarHBondContact O-N 2.8Å; K81-A83 VanDerWaalsContact C-N 3.29Å; K81-A83 PolarHBondContact O-N 2.98Å; A83-F86 PolarHBondContact O-N 3.25Å; A83-G87 PolarHBondContact O-N 3.12Å
84V93.1Very high93.4Very high89 Ų89101.2 Ų101.254%0.53952%0.52SS..Hα-helixtrans-64.9-46.2175.5172.30000111E80 K81 F86 G87 N88E80-V84 WeakPolarHBondContact O-CG2 3.49Å; E80-V84 PolarHBondContact O-N 3.48Å; K81-V84 PolarHBondContact O-N 3.47Å; V84-F86 VanDerWaalsContact C-N 3.31Å; V84-F86 PolarHBondContact O-N 2.92Å; V84-G87 WeakPolarHBondContact O-CA 3.28Å; V84-G87 PolarHBondContact O-N 3.34Å; V84-G87 VanDerWaalsContact O-N 3.12Å; V84-N88 VanDerWaalsContact O-CG 3.29Å; V84-N88 PolarHBondContact O-N 2.9Å; V84-N88 PolarHBondContact O-OD1 2.88Å
85E93.5Very high93.2Very high87 Ų8797.4 Ų97.441%0.40752%0.515SS..Hα-helixtrans-59.5-41.8176.5-72.9173.3-177.300112K81 M82 N88 Q89K81-E85 WeakPolarHBondContact CE-OE1 3.31Å; K81-E85 WeakPolarHBondContact O-CG 3.4Å; K81-E85 PolarHBondContact O-N 2.97Å; M82-E85 PolarHBondContact O-N 3.32Å; E85-N88 PolarHBondContact O-N 3.28Å; E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 2.93Å
86F94.5Very high93.1Very high125 Ų12594.9 Ų94.955%0.54851%0.511SS..Hα-helixtrans-64.5-40.1174.6-176.3-103.5000112.3M82 A83 V84 Q89 L90M82-F86 WeakPolarHBondContact O-CB 3.45Å; M82-F86 PolarHBondContact O-N 3.07Å; A83-F86 PolarHBondContact O-N 3.25Å; V84-F86 VanDerWaalsContact C-N 3.31Å; V84-F86 PolarHBondContact O-N 2.92Å; F86-Q89 PolarHBondContact O-N 3.08Å; F86-L90 HydrophobicContact CD1-CD1 3.86Å; F86-L90 HydrophobicContact CD1-CG 4.34Å; F86-L90 HydrophobicContact CE1-CD1 3.35Å; F86-L90 HydrophobicContact CE1-CG 3.98Å; F86-L90 HydrophobicContact CZ-CD1 3.88Å; F86-L90 HydrophobicContact CZ-CD2 4.27Å; F86-L90 HydrophobicContact CZ-CG 4.11Å; F86-L90 WeakPolarHBondContact O-CG 3.46Å; F86-L90 PolarHBondContact O-N 2.96Å
87G90.8Very high92.8Very high33 Ų3393.6 Ų93.634%0.3450%0.504SS..Hα-helixtrans-56.8-48.9172.900000112.1A83 V84 Q89 L90 E91A83-G87 PolarHBondContact O-N 3.12Å; V84-G87 WeakPolarHBondContact O-CA 3.28Å; V84-G87 PolarHBondContact O-N 3.34Å; V84-G87 VanDerWaalsContact O-N 3.12Å; G87-Q89 PolarHBondContact O-N 3.49Å; G87-L90 WeakPolarHBondContact O-CB 3.47Å; G87-L90 PolarHBondContact O-N 3.43Å; G87-E91 PolarHBondContact O-N 3.42Å
88N91.3Very high92.4Very high97 Ų9792.8 Ų92.852%0.51950%0.502SS..Hα-helixtrans-63.1-40.4178.7-63.9-15.7000112.1V84 E85 L90 E91 G92V84-N88 VanDerWaalsContact O-CG 3.29Å; V84-N88 PolarHBondContact O-N 2.9Å; V84-N88 PolarHBondContact O-OD1 2.88Å; E85-N88 PolarHBondContact O-N 3.28Å; N88-L90 VanDerWaalsContact C-N 3.34Å; N88-L90 PolarHBondContact O-N 3.4Å; N88-E91 PolarHBondContact O-N 3.35Å; N88-G92 PolarHBondContact O-N 3.47Å
89Q92.4Very high92.2Very high114 Ų11492.4 Ų92.453%0.53350%0.502SS..Hα-helixtrans-63.7-39175.4-73.8177.723.800112.4E85 F86 G87 K93E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 2.93Å; F86-Q89 PolarHBondContact O-N 3.08Å; G87-Q89 PolarHBondContact O-N 3.49Å; Q89-K93 WeakPolarHBondContact O-CG 3.44Å; Q89-K93 PolarHBondContact O-N 3.26Å
90L91.7Very high91.9Very high64 Ų6492.4 Ų92.434%0.33550%0.497SS..Hα-helixtrans-65.6-46175.1-75.5178.9000110.7F86 G87 N88 G92 K93 W94F86-L90 HydrophobicContact CD1-CD1 3.86Å; F86-L90 HydrophobicContact CD1-CG 4.34Å; F86-L90 HydrophobicContact CE1-CD1 3.35Å; F86-L90 HydrophobicContact CE1-CG 3.98Å; F86-L90 HydrophobicContact CZ-CD1 3.88Å; F86-L90 HydrophobicContact CZ-CD2 4.27Å; F86-L90 HydrophobicContact CZ-CG 4.11Å; F86-L90 WeakPolarHBondContact O-CG 3.46Å; F86-L90 PolarHBondContact O-N 2.96Å; G87-L90 WeakPolarHBondContact O-CB 3.47Å; G87-L90 PolarHBondContact O-N 3.43Å; N88-L90 VanDerWaalsContact C-N 3.34Å; N88-L90 PolarHBondContact O-N 3.4Å; L90-G92 VanDerWaalsContact C-N 3.33Å; L90-G92 PolarHBondContact O-N 3.2Å; L90-K93 PolarHBondContact O-N 3.23Å; L90-K93 VanDerWaalsContact O-N 3.12Å; L90-W94 VanDerWaalsContact C-CD1 3.48Å; L90-W94 PolarHBondContact O-N 2.9Å
91E90.5Very high91.4Very high137 Ų13792 Ų9264%0.6450%0.499SS*.Hα-helixtrans-57.9-44.2179.1-170167.1-163.200112.1G87 N88 K93 W94 A95G87-E91 PolarHBondContact O-N 3.42Å; N88-E91 PolarHBondContact O-N 3.35Å; E91-K93 PolarHBondContact O-N 2.88Å; E91-W94 PolarHBondContact O-N 2.97Å; E91-A95 PolarHBondContact O-N 3.24Å
92G90.3Very high90.9Very high41 Ų4192.3 Ų92.342%0.42350%0.502SS..Hα-helixtrans-59.3-43.1173.700000113.3N88 L90 A95 V96N88-G92 PolarHBondContact O-N 3.47Å; L90-G92 VanDerWaalsContact C-N 3.33Å; L90-G92 PolarHBondContact O-N 3.2Å; G92-A95 PolarHBondContact O-N 3.01Å; G92-V96 PolarHBondContact O-N 3.48Å
93K93.1Very high90.5Very high134 Ų13492.2 Ų92.258%0.58350%0.5SS*.Hα-helixtrans-67.3-38.7176.6-69.9177.3-173-179.90112.4Q89 L90 E91 A95 V96 L97Q89-K93 WeakPolarHBondContact O-CG 3.44Å; Q89-K93 PolarHBondContact O-N 3.26Å; L90-K93 PolarHBondContact O-N 3.23Å; L90-K93 VanDerWaalsContact O-N 3.12Å; E91-K93 PolarHBondContact O-N 2.88Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-V96 PolarHBondContact O-N 3.33Å; K93-L97 PolarHBondContact O-N 3.08Å
94W92.4Very high90.1Very high170 Ų17096.8 Ų96.864%0.64451%0.505SS*.Hα-helixtrans-65.1-35.8176.3-72.4120.3000112L90 E91 L97 G98L90-W94 VanDerWaalsContact C-CD1 3.48Å; L90-W94 PolarHBondContact O-N 2.9Å; E91-W94 PolarHBondContact O-N 2.97Å; W94-L97 HydrophobicContact CE3-CD1 3.89Å; W94-L97 HydrophobicContact CZ3-CD1 4.02Å; W94-L97 PolarHBondContact O-N 3.35Å; W94-G98 PolarHBondContact O-N 3.43Å
95A91.7Very high89.8Confident63 Ų6393.7 Ų93.752%0.52149%0.491SS..Hα-helixtrans-61.9-46.2174.800000112E91 G92 K93 L97 G98 T99E91-A95 PolarHBondContact O-N 3.24Å; G92-A95 PolarHBondContact O-N 3.01Å; K93-A95 VanDerWaalsContact C-N 3.32Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 3.38Å; A95-G98 WeakPolarHBondContact O-CA 3.29Å; A95-G98 PolarHBondContact O-N 3.39Å; A95-G98 VanDerWaalsContact O-N 3.09Å; A95-T99 PolarHBondContact O-N 3.44Å; A95-T99 VanDerWaalsContact O-N 3.09Å
96V91.7Very high89.3Confident86 Ų8693.4 Ų93.452%0.52149%0.492SS..Hα-helixtrans-63.1-39.9175.9177.30000111.8G92 K93 G98 T99 L100G92-V96 PolarHBondContact O-N 3.48Å; K93-V96 PolarHBondContact O-N 3.33Å; V96-G98 VanDerWaalsContact C-N 3.27Å; V96-G98 PolarHBondContact O-N 3.44Å; V96-T99 PolarHBondContact O-N 2.75Å; V96-T99 PolarHBondContact O-OG1 2.96Å; V96-L100 HydrophobicContact CG1-CD1 4.28Å; V96-L100 WeakPolarHBondContact O-CG 3.34Å; V96-L100 PolarHBondContact O-N 3.43Å; V96-L100 VanDerWaalsContact O-N 3.08Å
97L88.7Confident88.5Confident81 Ų8192.2 Ų92.242%0.42449%0.491SS..Hα-helixtrans-64.3-35.2173.5-74.5172000111.9K93 W94 A95 L100 L101K93-L97 PolarHBondContact O-N 3.08Å; W94-L97 HydrophobicContact CE3-CD1 3.89Å; W94-L97 HydrophobicContact CZ3-CD1 4.02Å; W94-L97 PolarHBondContact O-N 3.35Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 3.38Å; L97-L100 HydrophobicContact CD2-CD1 4.44Å; L97-L100 PolarHBondContact O-N 2.79Å; L97-L101 WeakPolarHBondContact O-CB 3.49Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 3.37Å
98G87.9Confident88.1Confident37 Ų3796.1 Ų96.138%0.38150%0.5SS..Hα-helixtrans-59.8-45.317400000112.8W94 A95 V96 L101 Q102W94-G98 PolarHBondContact O-N 3.43Å; A95-G98 WeakPolarHBondContact O-CA 3.29Å; A95-G98 PolarHBondContact O-N 3.39Å; A95-G98 VanDerWaalsContact O-N 3.09Å; V96-G98 VanDerWaalsContact C-N 3.27Å; V96-G98 PolarHBondContact O-N 3.44Å; G98-L101 PolarHBondContact O-N 3.39Å; G98-Q102 PolarHBondContact O-N 2.75Å; G98-Q102 VanDerWaalsContact O-N 3.11Å
99T90.5Very high87.5Confident73 Ų7398.6 Ų98.645%0.44850%0.502SS..Hα-helixtrans-67-43.8177.960.10000111.7A95 V96 L101 Q102 E103A95-T99 PolarHBondContact O-N 3.44Å; A95-T99 VanDerWaalsContact O-N 3.09Å; V96-T99 PolarHBondContact O-N 2.75Å; V96-T99 PolarHBondContact O-OG1 2.96Å; T99-L101 VanDerWaalsContact C-N 3.33Å; T99-L101 PolarHBondContact O-N 2.82Å; T99-Q102 WeakPolarHBondContact O-CB 3.49Å; T99-Q102 PolarHBondContact O-N 3.16Å; T99-Q102 VanDerWaalsContact O-N 3.07Å; T99-E103 PolarHBondContact O-N 3.26Å
100L87.9Confident86.8Confident71 Ų71101.7 Ų101.737%0.37251%0.509SS..Hα-helixtrans-58.1-45.6175.3-73169.7000111.2V96 L97 Q102 E103 Y104V96-L100 HydrophobicContact CG1-CD1 4.28Å; V96-L100 WeakPolarHBondContact O-CG 3.34Å; V96-L100 PolarHBondContact O-N 3.43Å; V96-L100 VanDerWaalsContact O-N 3.08Å; L97-L100 HydrophobicContact CD2-CD1 4.44Å; L97-L100 PolarHBondContact O-N 2.79Å; L100-Q102 VanDerWaalsContact C-N 3.25Å; L100-Q102 PolarHBondContact O-N 3.21Å; L100-E103 PolarHBondContact O-N 3.04Å; L100-Y104 WeakPolarHBondContact O-CD2 3.47Å; L100-Y104 PolarHBondContact O-N 3.36Å
101L84.1Confident85.8Confident126 Ų126103.5 Ų103.566%0.6652%0.519SS*.Hα-helixtrans-60.9-35.2176.9-74.5170.4000112.4L97 G98 T99 G105L97-L101 WeakPolarHBondContact O-CB 3.49Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 3.37Å; G98-L101 PolarHBondContact O-N 3.39Å; T99-L101 VanDerWaalsContact C-N 3.33Å; T99-L101 PolarHBondContact O-N 2.82Å; L101-G105 PolarHBondContact O-N 2.85Å
102Q85.2Confident84.9Confident135 Ų135101.2 Ų101.263%0.63151%0.508SS*.Hα-helixtrans-67.3-43174.9-175.3173.7-700111.8G98 T99 L100 G105 L106G98-Q102 PolarHBondContact O-N 2.75Å; G98-Q102 VanDerWaalsContact O-N 3.11Å; T99-Q102 WeakPolarHBondContact O-CB 3.49Å; T99-Q102 PolarHBondContact O-N 3.16Å; T99-Q102 VanDerWaalsContact O-N 3.07Å; L100-Q102 VanDerWaalsContact C-N 3.25Å; L100-Q102 PolarHBondContact O-N 3.21Å; Q102-G105 PolarHBondContact O-N 3.41Å; Q102-L106 WeakPolarHBondContact O-CG 3.46Å; Q102-L106 PolarHBondContact O-N 3.09Å
103E86.9Confident84.1Confident110 Ų110104 Ų10451%0.51451%0.513SS..Hα-helixtrans-62.6-44.7174.5-70.5179.2172.100112T99 L100 G105 L106 L107T99-E103 PolarHBondContact O-N 3.26Å; L100-E103 PolarHBondContact O-N 3.04Å; E103-G105 VanDerWaalsContact C-N 3.28Å; E103-G105 PolarHBondContact O-N 3.41Å; E103-L106 WeakPolarHBondContact O-CB 3.38Å; E103-L106 PolarHBondContact O-N 3.46Å; E103-L106 VanDerWaalsContact O-N 3.09Å; E103-L107 WeakPolarHBondContact O-CG 3.09Å; E103-L107 PolarHBondContact O-N 3.4Å
104Y85.1Confident82.5Confident159 Ų159101.5 Ų101.562%0.62451%0.509SS*.Hα-helixtrans-58-41.4173.6-86.9-73.8000111.8L100 L106 L107 Q108L100-Y104 WeakPolarHBondContact O-CD2 3.47Å; L100-Y104 PolarHBondContact O-N 3.36Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 3.05Å; Y104-L107 PolarHBondContact O-N 2.69Å; Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 PolarHBondContact O-N 2.72Å
105G84.9Confident81.3Confident24 Ų2497.7 Ų97.725%0.24750%0.498CS..Hα-helixtrans-63.3-36.6175.400000113.3L101 Q102 E103 R109L101-G105 PolarHBondContact O-N 2.85Å; Q102-G105 PolarHBondContact O-N 3.41Å; E103-G105 VanDerWaalsContact C-N 3.28Å; E103-G105 PolarHBondContact O-N 3.41Å; G105-R109 WeakPolarHBondContact O-CG 3.44Å; G105-R109 PolarHBondContact O-N 3.25Å
106L84.2Confident80Confident82 Ų8299.3 Ų99.343%0.42950%0.498SS..Hα-helixtrans-70-45.4174.9-71.5167.2000111.8Q102 E103 Y104 Q108 R109 R110Q102-L106 WeakPolarHBondContact O-CG 3.46Å; Q102-L106 PolarHBondContact O-N 3.09Å; E103-L106 WeakPolarHBondContact O-CB 3.38Å; E103-L106 PolarHBondContact O-N 3.46Å; E103-L106 VanDerWaalsContact O-N 3.09Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 3.05Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 2.93Å; L106-R109 PolarHBondContact O-N 2.89Å; L106-R110 WeakPolarHBondContact O-CG 3.29Å; L106-R110 PolarHBondContact O-N 2.8Å
107L77.3Confident78.4Confident99 Ų9999.3 Ų99.352%0.51850%0.495SS..Hα-helixtrans-59-41.4175.6-75.7167.7000111.3E103 Y104 R110 L111E103-L107 WeakPolarHBondContact O-CG 3.09Å; E103-L107 PolarHBondContact O-N 3.4Å; Y104-L107 PolarHBondContact O-N 2.69Å; L107-R110 WeakPolarHBondContact O-CB 3.36Å; L107-R110 PolarHBondContact O-N 2.8Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 PolarHBondContact O-N 2.73Å
108Q83Confident76.7Confident116 Ų116100.6 Ų100.654%0.54250%0.502SS..Hα-helixtrans-65-41.6178-167.9175.3-21.900112.1Y104 L106 R110 L111 E112Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 PolarHBondContact O-N 2.72Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 2.93Å; Q108-R110 VanDerWaalsContact C-N 3.34Å; Q108-R110 PolarHBondContact O-N 3.31Å; Q108-L111 WeakPolarHBondContact O-CB 3.36Å; Q108-L111 PolarHBondContact O-N 3.33Å; Q108-E112 PolarHBondContact NE2-OE1 3.36Å; Q108-E112 WeakPolarHBondContact O-CG 3.42Å; Q108-E112 PolarHBondContact O-N 2.99Å
109R78.1Confident75.3Confident149 Ų149107.7 Ų107.756%0.56252%0.517SS*.Hα-helixtrans-64-38.4173.5-70.7-177.2-146.9122.16.4112.4G105 L106 L111 E112 N113G105-R109 WeakPolarHBondContact O-CG 3.44Å; G105-R109 PolarHBondContact O-N 3.25Å; L106-R109 PolarHBondContact O-N 2.89Å; R109-L111 VanDerWaalsContact C-N 3.35Å; R109-E112 PolarHBondContact O-N 2.74Å; R109-N113 WeakPolarHBondContact O-CB 3.38Å; R109-N113 VanDerWaalsContact O-CG 3.26Å; R109-N113 PolarHBondContact O-N 3.28Å
110R78.5Confident73.8Confident179 Ų179109.9 Ų109.968%0.67553%0.526SS*.Hα-helixtrans-62.4-44.2174.5-73.4178.5175.5-174.5-1.4110.9L106 L107 Q108 N113 V114L106-R110 WeakPolarHBondContact O-CG 3.29Å; L106-R110 PolarHBondContact O-N 2.8Å; L107-R110 WeakPolarHBondContact O-CB 3.36Å; L107-R110 PolarHBondContact O-N 2.8Å; Q108-R110 VanDerWaalsContact C-N 3.34Å; Q108-R110 PolarHBondContact O-N 3.31Å; R110-N113 PolarHBondContact O-N 2.93Å; R110-V114 WeakPolarHBondContact O-CG2 3.17Å; R110-V114 PolarHBondContact O-N 2.89Å
111L69.5Low71.9Confident102 Ų102117.8 Ų117.853%0.53455%0.551SS.*Hα-helixtrans-61.8-48.1176.4-16596.2000111.4L107 Q108 R109 N113 V114 E115L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 PolarHBondContact O-N 2.73Å; Q108-L111 WeakPolarHBondContact O-CB 3.36Å; Q108-L111 PolarHBondContact O-N 3.33Å; R109-L111 VanDerWaalsContact C-N 3.35Å; L111-N113 VanDerWaalsContact C-N 3.29Å; L111-N113 PolarHBondContact O-N 2.86Å; L111-V114 PolarHBondContact O-N 3.07Å; L111-V114 VanDerWaalsContact O-N 3.14Å; L111-E115 WeakPolarHBondContact O-CG 3.44Å; L111-E115 PolarHBondContact O-N 3.11Å
112E71.4Confident70.1Confident89 Ų89118.2 Ų118.242%0.41655%0.554SS.*Hα-helixtrans-60.3-39.1177-75.1172.6-167.300111.6Q108 R109 E115 N116Q108-E112 PolarHBondContact NE2-OE1 3.36Å; Q108-E112 WeakPolarHBondContact O-CG 3.42Å; Q108-E112 PolarHBondContact O-N 2.99Å; R109-E112 PolarHBondContact O-N 2.74Å; E112-E115 PolarHBondContact O-N 3.35Å; E112-N116 WeakPolarHBondContact O-CB 3.43Å; E112-N116 PolarHBondContact O-N 3.06Å; E112-N116 PolarHBondContact O-ND2 2.87Å
113N73.6Confident68.1Low100 Ų100117.2 Ų117.254%0.53555%0.547SS..Hα-helixtrans-62.5-45.7173.6-76.3-7.3000111.7R109 R110 L111 N116 L117R109-N113 WeakPolarHBondContact O-CB 3.38Å; R109-N113 VanDerWaalsContact O-CG 3.26Å; R109-N113 PolarHBondContact O-N 3.28Å; R110-N113 PolarHBondContact O-N 2.93Å; L111-N113 VanDerWaalsContact C-N 3.29Å; L111-N113 PolarHBondContact O-N 2.86Å; N113-N116 PolarHBondContact O-N 2.87Å; N113-L117 VanDerWaalsContact O-CG 3.28Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 3.31Å
114V60.2Low65.8Low81 Ų81123.5 Ų123.549%0.49157%0.567SS.*Hα-helixtrans-63.1-43.4176.1173.10000111.2R110 L111 N116 L117 L118R110-V114 WeakPolarHBondContact O-CG2 3.17Å; R110-V114 PolarHBondContact O-N 2.89Å; L111-V114 PolarHBondContact O-N 3.07Å; L111-V114 VanDerWaalsContact O-N 3.14Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 3.18Å; V114-L117 WeakPolarHBondContact O-CB 3.32Å; V114-L117 PolarHBondContact O-N 3.23Å; V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 HydrophobicContact CG1-CG 4.41Å; V114-L118 WeakPolarHBondContact O-CG 3.41Å; V114-L118 PolarHBondContact O-N 3.39Å
115E66.3Low63.9Low90 Ų90123 Ų12342%0.42157%0.573SS.*Hα-helixtrans-60.9-40.7175.3-75.3-175.8-175.500112.1L111 E112 L118 R119L111-E115 WeakPolarHBondContact O-CG 3.44Å; L111-E115 PolarHBondContact O-N 3.11Å; E112-E115 PolarHBondContact O-N 3.35Å; E115-L118 PolarHBondContact O-N 2.92Å; E115-R119 WeakPolarHBondContact O-CB 3.28Å; E115-R119 WeakPolarHBondContact O-CG 3.27Å; E115-R119 PolarHBondContact O-N 3.32Å
116N65.2Low61.6Low96 Ų96127.9 Ų127.951%0.51359%0.593SS.*Hα-helixtrans-65.3-39.4175.9-73.6-35.8000111.7E112 N113 V114 R119 N120E112-N116 WeakPolarHBondContact O-CB 3.43Å; E112-N116 PolarHBondContact O-N 3.06Å; E112-N116 PolarHBondContact O-ND2 2.87Å; N113-N116 PolarHBondContact O-N 2.87Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 3.18Å; N116-R119 PolarHBondContact O-N 2.96Å; N116-N120 PolarHBondContact O-N 3.33Å
117L57.8Low59.2Low86 Ų86135.3 Ų135.345%0.4562%0.615SS.*Hα-helixtrans-62.3-44.7173.2-69.2173.8000111.2N113 V114 N120 F123N113-L117 VanDerWaalsContact O-CG 3.28Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 3.31Å; V114-L117 WeakPolarHBondContact O-CB 3.32Å; V114-L117 PolarHBondContact O-N 3.23Å; L117-N120 PolarHBondContact O-N 3.1Å; L117-F123 HydrophobicContact CB-CD2 3.96Å; L117-F123 HydrophobicContact CB-CE2 3.99Å; L117-F123 HydrophobicContact CD1-CE2 4.19Å; L117-F123 HydrophobicContact CD1-CZ 4.41Å; L117-F123 HydrophobicContact CD2-CD2 4.31Å; L117-F123 HydrophobicContact CD2-CE2 3.92Å; L117-F123 HydrophobicContact CG-CE2 4.24Å
118L53.7Low57.2Low109 Ų109136.1 Ų136.157%0.57162%0.619SS**Hα-helixtrans-68-34.7177.6-68.1173.1000113.1V114 E115V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 HydrophobicContact CG1-CG 4.41Å; V114-L118 WeakPolarHBondContact O-CG 3.41Å; V114-L118 PolarHBondContact O-N 3.39Å; E115-L118 PolarHBondContact O-N 2.92Å
119R58.8Low54.9Low186 Ų186135.1 Ų135.170%0.70262%0.623SS**Hα-helixtrans-70.3-34.9176.6-79.7-178.2-171.2-89.2-1.8112.4E115 N116 R121E115-R119 WeakPolarHBondContact O-CB 3.28Å; E115-R119 WeakPolarHBondContact O-CG 3.27Å; E115-R119 PolarHBondContact O-N 3.32Å; N116-R119 PolarHBondContact O-N 2.96Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 3.44Å
120N57.3Low52.7Low118 Ų118134.7 Ų134.763%0.63164%0.639SS**SBendtrans-7093.5168.1-109.5-11.3000107.3N116 L117 N122 F123N116-N120 PolarHBondContact O-N 3.33Å; L117-N120 PolarHBondContact O-N 3.1Å; N120-N122 PolarHBondContact O-N 3.37Å; N120-F123 PolarHBondContact O-N 2.84Å
121R49.5Very low50.9Low237 Ų237129.8 Ų129.889%0.89465%0.645SS**THydrogen-bonded Turntrans-52.71.2-174.5-59178.790.9171.66.7115.9R119 F123R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 3.44Å; R121-F123 VanDerWaalsContact C-N 3.31Å
122N45.5Very low49.4Very low136 Ų136127.9 Ų127.973%0.72764%0.64SS**THydrogen-bonded Turntrans-86.23.3172.8-61.6-9.3000112.9N120 W124N120-N122 PolarHBondContact O-N 3.37Å; N122-W124 PolarHBondContact O-N 3.13Å
123F43.4Very low48Very low114 Ų114132.8 Ų132.850%0.566%0.66SS.*SBendtrans-78.4110.9171.1-131.2-96.4000109.7L117 N120 R121 I125L117-F123 HydrophobicContact CB-CD2 3.96Å; L117-F123 HydrophobicContact CB-CE2 3.99Å; L117-F123 HydrophobicContact CD1-CE2 4.19Å; L117-F123 HydrophobicContact CD1-CZ 4.41Å; L117-F123 HydrophobicContact CD2-CD2 4.31Å; L117-F123 HydrophobicContact CD2-CE2 3.92Å; L117-F123 HydrophobicContact CG-CE2 4.24Å; N120-F123 PolarHBondContact O-N 2.84Å; R121-F123 VanDerWaalsContact C-N 3.31Å; F123-I125 VanDerWaalsContact C-N 3.32Å; F123-I125 PolarHBondContact O-N 2.74Å
124W39.1Very low46.2Very low242 Ų242131.4 Ų131.492%0.91767%0.669SS**  trans-5885.6-179.7-55.787.1000110.9N122 L126N122-W124 PolarHBondContact O-N 3.13Å; W124-L126 PolarHBondContact O-N 2.99Å
125I44.6Very low44.9Very low148 Ų148136 Ų13676%0.75969%0.685SS**  trans-62.6111.8164.9-61.6173.2000105.2F123 R127F123-I125 VanDerWaalsContact C-N 3.32Å; F123-I125 PolarHBondContact O-N 2.74Å; I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 3.35Å
126L36.2Very low43.3Very low127 Ų127135.7 Ų135.767%0.66570%0.699SS**  trans-41.696.6168.4-75160.9000108.6W124 L128 C149W124-L126 PolarHBondContact O-N 2.99Å; L126-L128 PolarHBondContact O-N 3.08Å; L126-C149 HydrophobicContact CD2-CB 4.24Å
127R34.5Very low41.9Very low237 Ų237136.5 Ų136.589%0.89471%0.709SS**  trans-78.297-179.4-155.1175.4-171.5151.70.1104.4I125I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 3.35Å
128L35.7Very low40.9Very low116 Ų116142.3 Ų142.361%0.60773%0.731SS**  trans-48.9128.6170.8-89.682.7000107.5L126 S132L126-L128 PolarHBondContact O-N 3.08Å; L128-S132 WeakPolarHBondContact CD2-OG 3.48Å
129P33Very low39.8Very low95 Ų95142.9 Ų142.962%0.61774%0.738SS**  trans-53.2144.6-179.1-24.531.7000110.9G131 S132P129-G131 PolarHBondContact O-N 2.97Å; P129-S132 PolarHBondContact O-N 3.17Å; P129-S132 PolarHBondContact O-OG 3.24Å
130P33.7Very low38.4Very low140 Ų140139.1 Ų139.191%0.90974%0.741SS**THydrogen-bonded Turntrans-58.8111.8176.224.3-31.1000109.1
131G39.1Very low37Very low76 Ų76144.6 Ų144.678%0.78475%0.752SS**THydrogen-bonded Turntrans138-18.417800000115.5P129 K133P129-G131 PolarHBondContact O-N 2.97Å; G131-K133 PolarHBondContact O-N 2.95Å
132S39.1Very low36.2Very low63 Ų63137.8 Ų137.844%0.44174%0.741SS.*  trans-81.3106.9177.1570000110.6L128 P129 G134L128-S132 WeakPolarHBondContact CD2-OG 3.48Å; P129-S132 PolarHBondContact O-N 3.17Å; P129-S132 PolarHBondContact O-OG 3.24Å; S132-G134 PolarHBondContact O-N 2.97Å
133K41Very low35.7Very low191 Ų191139 Ų13983%0.8375%0.747SS**  trans-70.167.3173.7-66.6-179179177.50111.2G131 E135G131-K133 PolarHBondContact O-N 2.95Å; K133-E135 PolarHBondContact O-N 3.11Å
134G37Very low35.2Very low71 Ų71141.5 Ų141.573%0.73276%0.76SS**SBendtrans52.212.6160.100000119S132 A136S132-G134 PolarHBondContact O-N 2.97Å; G134-A136 PolarHBondContact O-N 3.41Å
135E32.6Very low35.1Very low177 Ų177136.9 Ų136.983%0.82775%0.753SS**  trans-87.7113.2-179.2-80.7171.9167.700108.9K133K133-E135 PolarHBondContact O-N 3.11Å
136A32.1Very low34.7Very low85 Ų85137.8 Ų137.870%0.70276%0.76SS**  trans-55.6125.7171.400000109.1G134 K138G134-A136 PolarHBondContact O-N 3.41Å; A136-K138 PolarHBondContact O-N 3.29Å; A136-K138 VanDerWaalsContact O-N 3.08Å
137P36.9Very low34.7Very low112 Ų112134.1 Ų134.173%0.72775%0.753SS**  trans-57.5117.6-179.5-24.533.4000110.6V139P137-V139 HydrophobicContact CB-CG2 3.94Å; P137-V139 PolarHBondContact O-N 3.2Å
138K35.5Very low34.9Very low209 Ų209127.3 Ų127.391%0.90974%0.737SS**  trans-72.383.3169.1-77.5172177.1174.20107.7A136 S140A136-K138 PolarHBondContact O-N 3.29Å; A136-K138 VanDerWaalsContact O-N 3.08Å; K138-S140 PolarHBondContact O-N 3.4Å; K138-S140 VanDerWaalsContact O-N 3.12Å
139V32Very low35.3Very low121 Ų121125.8 Ų125.873%0.73374%0.736SS**  trans-78.899.5-177.7-175.70000109.5P137P137-V139 HydrophobicContact CB-CG2 3.94Å; P137-V139 PolarHBondContact O-N 3.2Å
140S28.8Very low35.5Very low107 Ų107124.8 Ų124.875%0.74872%0.722SS**  trans-113.787.1154.7-570000106.4K138K138-S140 PolarHBondContact O-N 3.4Å; K138-S140 VanDerWaalsContact O-N 3.12Å
141R28.6Very low36.6Very low232 Ų232121.9 Ų121.988%0.87570%0.701SS**SBendtrans-172150.6165.6-110.3153.8-161.7158.34.8115.3
142S31.8Very low37.5Very low94 Ų94126.5 Ų126.566%0.65770%0.702SS**  trans-46.8137.2178.343.50000113.4E144S142-E144 PolarHBondContact O-N 3Å
143L34.7Very low38.3Very low163 Ų163130.5 Ų130.585%0.85371%0.714SS**SBendtrans-63.415.9-169.6-146.192.1000116.3
144E33.6Very low38.9Very low166 Ų166126.1 Ų126.178%0.77670%0.697SS**SBendtrans-112.4106.8-178.1-79.7173.2153.100109.1S142S142-E144 PolarHBondContact O-N 3Å
145N35.9Very low40.3Very low145 Ų145126 Ų12678%0.77568%0.675SS**SBendtrans83.7135.2178.4-53.9-29.9000115.6
146D36.3Very low41.9Very low166 Ų166124.7 Ų124.789%0.88867%0.668SS**  trans91.465.4164.5-45.4-26.4000117.6
147G37.2Very low43.7Very low51 Ų51127.2 Ų127.253%0.52667%0.67SS.*  trans-15312.8153.900000113.9C149 Y166G147-C149 PolarHBondContact O-N 3.19Å; G147-Y166 PolarHBondContact O-OH 2.99Å
148V39.3Very low45.1Very low93 Ų93123.4 Ų123.456%0.56464%0.643SS**  trans-83.6104.5-177.8-173.90000107.7F150V148-F150 HydrophobicContact CG1-CB 3.94Å; V148-F150 HydrophobicContact CG1-CD2 4.37Å; V148-F150 WeakPolarHBondContact CG1-O 3.49Å; V148-F150 PolarHBondContact O-N 3.39Å
149C43.8Very low46.8Very low85 Ų85119.1 Ų119.157%0.57463%0.626SS**  trans-71.924173.6-65.80000113.5L126 G147L126-C149 HydrophobicContact CD2-CB 4.24Å; G147-C149 PolarHBondContact O-N 3.19Å
150F37.5Very low48.6Very low73 Ų73119.3 Ų119.332%0.3262%0.623SS.*SBendtrans-131.5141.7-179.9-63.2-81.2000108V148 E154 W155 L158V148-F150 HydrophobicContact CG1-CB 3.94Å; V148-F150 HydrophobicContact CG1-CD2 4.37Å; V148-F150 WeakPolarHBondContact CG1-O 3.49Å; V148-F150 PolarHBondContact O-N 3.39Å; F150-E154 HydrophobicContact CB-CB 4.09Å; F150-E154 HydrophobicContact CD1-CB 4.02Å; F150-W155 HydrophobicContact CB-CB 4.28Å; F150-W155 HydrophobicContact CD2-CE3 4.11Å; F150-L158 HydrophobicContact CD1-CD1 4.49Å; F150-L158 HydrophobicContact CE1-CD1 4.3Å; F150-L158 HydrophobicContact CE2-CD1 4.4Å; F150-L158 HydrophobicContact CZ-CD1 4.25Å
151T55.9Low50.6Low79 Ų79121.4 Ų121.449%0.48562%0.615SS.*  trans-61.7151.5159.457.70000109.1Q153 E154 W155T151-Q153 PolarHBondContact O-N 3.43Å; T151-Q153 VanDerWaalsContact O-N 3.1Å; T151-E154 PolarHBondContact N-OE2 3.08Å; T151-E154 PolarHBondContact O-N 2.96Å; T151-E154 WeakPolarHBondContact OG1-CG 3.42Å; T151-E154 PolarHBondContact OG1-N 3.49Å; T151-E154 PolarHBondContact OG1-OE2 2.85Å; T151-W155 PolarHBondContact O-N 3.35Å
152E57.8Low52.2Low173 Ų173113.5 Ų113.581%0.80859%0.588SS**Hα-helixtrans-51.1-37.4176.5-87.2-176.7149.700111.9W155 E156E152-W155 PolarHBondContact O-N 3.09Å; E152-E156 WeakPolarHBondContact O-CG 3.48Å; E152-E156 PolarHBondContact O-N 3.43Å
153Q55.6Low54.2Low148 Ų148110.5 Ų110.569%0.69256%0.563SS**Hα-helixtrans-64.5-40.7176.6-69.2179.3-3.300113.2T151 N157T151-Q153 PolarHBondContact O-N 3.43Å; T151-Q153 VanDerWaalsContact O-N 3.1Å; Q153-N157 PolarHBondContact O-N 2.91Å; Q153-N157 VanDerWaalsContact O-N 3.17Å; Q153-N157 PolarHBondContact O-ND2 2.92Å
154E53.7Low55.8Low99 Ų99106.6 Ų106.646%0.46354%0.54SS..Hα-helixtrans-69.5-36.6176.4-73.7164.6151.100111.4F150 T151 N157 L158F150-E154 HydrophobicContact CB-CB 4.09Å; F150-E154 HydrophobicContact CD1-CB 4.02Å; T151-E154 PolarHBondContact N-OE2 3.08Å; T151-E154 PolarHBondContact O-N 2.96Å; T151-E154 WeakPolarHBondContact OG1-CG 3.42Å; T151-E154 PolarHBondContact OG1-N 3.49Å; T151-E154 PolarHBondContact OG1-OE2 2.85Å; E154-N157 PolarHBondContact O-N 3.32Å; E154-L158 PolarHBondContact O-N 3.43Å
155W66.6Low57.1Low69 Ų69103.4 Ų103.426%0.26153%0.528SS..Hα-helixtrans-65.9-42.2175.3-178.1-103.5000111.9F150 T151 E152 N157 L158 K163 Y166F150-W155 HydrophobicContact CB-CB 4.28Å; F150-W155 HydrophobicContact CD2-CE3 4.11Å; T151-W155 PolarHBondContact O-N 3.35Å; E152-W155 PolarHBondContact O-N 3.09Å; W155-N157 VanDerWaalsContact C-N 3.26Å; W155-N157 PolarHBondContact O-N 3.15Å; W155-L158 HydrophobicContact CD2-CD1 4.34Å; W155-L158 HydrophobicContact CE3-CD1 3.54Å; W155-L158 HydrophobicContact CZ3-CD1 3.91Å; W155-L158 WeakPolarHBondContact O-CB 3.34Å; W155-L158 PolarHBondContact O-N 3.08Å; W155-K163 HydrophobicContact CD2-CG 4.38Å; W155-K163 HydrophobicContact CE3-CG 4.5Å; W155-K163 HydrophobicContact CH2-CB 3.75Å; W155-K163 HydrophobicContact CH2-CG 3.78Å; W155-K163 HydrophobicContact CZ2-CB 3.78Å; W155-K163 HydrophobicContact CZ2-CD 4.04Å; W155-K163 HydrophobicContact CZ2-CG 3.63Å; W155-K163 HydrophobicContact CZ3-CG 4.22Å; W155-K163 WeakPolarHBondContact O-CE 3.25Å; W155-K163 PolarHBondContact O-NZ 2.81Å; W155-Y166 HydrophobicContact CH2-CD1 4.04Å; W155-Y166 AromaticContact CZ3-CD1 3.93Å; W155-Y166 HydrophobicContact CZ3-CD1 3.93Å; W155-Y166 HydrophobicContact CZ3-CG 4.34Å
156E67.5Low58.7Low148 Ų14899.7 Ų99.769%0.69250%0.504SS*.Hα-helixtrans-60.2-38.3174.8-78-174.2167.100112.1E152 L158E152-E156 WeakPolarHBondContact O-CG 3.48Å; E152-E156 PolarHBondContact O-N 3.43Å; E156-L158 PolarHBondContact O-N 3.09Å
157N69.3Low60.3Low138 Ų13897.2 Ų97.274%0.73848%0.482SS*.THydrogen-bonded Turntrans-70.9-10.4178.5-71.8-28.4000114.6Q153 E154 W155Q153-N157 PolarHBondContact O-N 2.91Å; Q153-N157 VanDerWaalsContact O-N 3.17Å; Q153-N157 PolarHBondContact O-ND2 2.92Å; E154-N157 PolarHBondContact O-N 3.32Å; W155-N157 VanDerWaalsContact C-N 3.26Å; W155-N157 PolarHBondContact O-N 3.15Å
158L65.8Low61.7Low32 Ų3298.3 Ų98.317%0.16848%0.476CS..SBendtrans-76.8138.3176.9-70.4169000111.6F150 E154 W155 E156 Q162 K163F150-L158 HydrophobicContact CD1-CD1 4.49Å; F150-L158 HydrophobicContact CE1-CD1 4.3Å; F150-L158 HydrophobicContact CE2-CD1 4.4Å; F150-L158 HydrophobicContact CZ-CD1 4.25Å; E154-L158 PolarHBondContact O-N 3.43Å; W155-L158 HydrophobicContact CD2-CD1 4.34Å; W155-L158 HydrophobicContact CE3-CD1 3.54Å; W155-L158 HydrophobicContact CZ3-CD1 3.91Å; W155-L158 WeakPolarHBondContact O-CB 3.34Å; W155-L158 PolarHBondContact O-N 3.08Å; E156-L158 PolarHBondContact O-N 3.09Å; L158-Q162 HydrophobicContact CB-CB 4.32Å; L158-Q162 HydrophobicContact CD2-CB 4.11Å; L158-K163 HydrophobicContact CB-CG 3.9Å; L158-K163 WeakPolarHBondContact O-CE 3.44Å; L158-K163 PolarHBondContact O-NZ 3.4Å
159E70.7Confident63Low119 Ų11997.3 Ų97.356%0.55647%0.47SS*.  trans-66.2151.4171.6-63.1179.5-171.600110.5W161 Q162 K163E159-W161 PolarHBondContact O-N 3.32Å; E159-W161 VanDerWaalsContact O-N 3.15Å; E159-W161 VanDerWaalsContact OE2-CD1 3.29Å; E159-W161 PolarHBondContact OE2-NE1 3.11Å; E159-Q162 HydrophobicContact CB-CG 4.26Å; E159-Q162 WeakPolarHBondContact O-CB 3.44Å; E159-Q162 PolarHBondContact O-N 3.07Å; E159-K163 PolarHBondContact O-N 2.83Å; E159-K163 VanDerWaalsContact O-N 3.15Å
160D70.9Confident64Low126 Ų12696 Ų9667%0.67446%0.456SS*.Hα-helixtrans-58.2-34.9-174.2-66.9-33.7000113Q162 K163 E164D160-Q162 VanDerWaalsContact C-N 3.32Å; D160-Q162 PolarHBondContact O-N 3.47Å; D160-K163 PolarHBondContact O-N 3.44Å; D160-E164 VanDerWaalsContact O-CB 3.31Å; D160-E164 WeakPolarHBondContact O-CB 3.42Å; D160-E164 PolarHBondContact O-N 2.99Å
161W70.1Confident65Low150 Ų15097.8 Ų97.857%0.56847%0.465SS*.Hα-helixtrans-69.3-28.5176.475.6-93.5000112.9E159 L165E159-W161 PolarHBondContact O-N 3.32Å; E159-W161 VanDerWaalsContact O-N 3.15Å; E159-W161 VanDerWaalsContact OE2-CD1 3.29Å; E159-W161 PolarHBondContact OE2-NE1 3.11Å; W161-L165 HydrophobicContact CZ3-CD2 4.27Å; W161-L165 WeakPolarHBondContact O-CB 3.49Å; W161-L165 PolarHBondContact O-N 2.95Å
162Q62.8Low64.9Low66 Ų6696.8 Ų96.831%0.30846%0.462SS..Hα-helixtrans-74.1-41.5177-62179.3-61.200110.7L158 E159 D160 E164 L165 Y166L158-Q162 HydrophobicContact CB-CB 4.32Å; L158-Q162 HydrophobicContact CD2-CB 4.11Å; E159-Q162 HydrophobicContact CB-CG 4.26Å; E159-Q162 WeakPolarHBondContact O-CB 3.44Å; E159-Q162 PolarHBondContact O-N 3.07Å; D160-Q162 VanDerWaalsContact C-N 3.32Å; D160-Q162 PolarHBondContact O-N 3.47Å; Q162-E164 VanDerWaalsContact C-N 3.3Å; Q162-E164 PolarHBondContact O-N 3.06Å; Q162-L165 PolarHBondContact O-N 3.48Å; Q162-Y166 PolarHBondContact O-N 2.94Å
163K73Confident65.3Low31 Ų3192.6 Ų92.614%0.13545%0.445CS..Hα-helixtrans-60.1-43.5172.5-64.9174.8177153.20110.7W155 L158 E159 D160 Y166 R167W155-K163 HydrophobicContact CD2-CG 4.38Å; W155-K163 HydrophobicContact CE3-CG 4.5Å; W155-K163 HydrophobicContact CH2-CB 3.75Å; W155-K163 HydrophobicContact CH2-CG 3.78Å; W155-K163 HydrophobicContact CZ2-CB 3.78Å; W155-K163 HydrophobicContact CZ2-CD 4.04Å; W155-K163 HydrophobicContact CZ2-CG 3.63Å; W155-K163 HydrophobicContact CZ3-CG 4.22Å; W155-K163 WeakPolarHBondContact O-CE 3.25Å; W155-K163 PolarHBondContact O-NZ 2.81Å; L158-K163 HydrophobicContact CB-CG 3.9Å; L158-K163 WeakPolarHBondContact O-CE 3.44Å; L158-K163 PolarHBondContact O-NZ 3.4Å; E159-K163 PolarHBondContact O-N 2.83Å; E159-K163 VanDerWaalsContact O-N 3.15Å; D160-K163 PolarHBondContact O-N 3.44Å; K163-Y166 PolarHBondContact O-N 3.09Å; K163-R167 WeakPolarHBondContact O-CG 3.44Å; K163-R167 PolarHBondContact O-N 2.74Å
164E69.4Low65.3Low81 Ų8191.5 Ų91.538%0.37944%0.435SS..Hα-helixtrans-64.8-43.7177.5-171.154.5-141.100112.1D160 Q162 Y166 R167 N168D160-E164 VanDerWaalsContact O-CB 3.31Å; D160-E164 WeakPolarHBondContact O-CB 3.42Å; D160-E164 PolarHBondContact O-N 2.99Å; Q162-E164 VanDerWaalsContact C-N 3.3Å; Q162-E164 PolarHBondContact O-N 3.06Å; E164-Y166 VanDerWaalsContact C-N 3.33Å; E164-Y166 PolarHBondContact O-N 3.06Å; E164-R167 PolarHBondContact O-N 2.73Å; E164-R167 IonicContact OE2-CZ 3.35Å; E164-R167 IonicContact OE2-NE 2.69Å; E164-R167 PolarHBondContact OE2-NE 3.49Å; E164-R167 IonicContact OE2-NH2 2.68Å; E164-R167 PolarHBondContact OE2-NH2 3.44Å; E164-N168 WeakPolarHBondContact O-CB 3.4Å; E164-N168 PolarHBondContact O-N 2.84Å; E164-N168 PolarHBondContact O-ND2 3.38Å; E164-N168 PolarHBondContact OE1-ND2 3.49Å
165L59.5Low65.5Low100 Ų10092.3 Ų92.352%0.52444%0.439SS..Hα-helixtrans-59.8-44.3175.1-175.570.7000111.6W161 Q162 N168 V169W161-L165 HydrophobicContact CZ3-CD2 4.27Å; W161-L165 WeakPolarHBondContact O-CB 3.49Å; W161-L165 PolarHBondContact O-N 2.95Å; Q162-L165 PolarHBondContact O-N 3.48Å; L165-N168 PolarHBondContact O-N 3.36Å; L165-V169 VanDerWaalsContact O-CG2 3.28Å; L165-V169 WeakPolarHBondContact O-CG2 3.4Å; L165-V169 PolarHBondContact O-N 3.12Å
166Y69.4Low65Low67 Ų6792.5 Ų92.526%0.26345%0.448SS..Hα-helixtrans-62.9-45.5177.6-178.9-98000111.7G147 W155 Q162 K163 E164 N168 V169 M170G147-Y166 PolarHBondContact O-OH 2.99Å; W155-Y166 HydrophobicContact CH2-CD1 4.04Å; W155-Y166 AromaticContact CZ3-CD1 3.93Å; W155-Y166 HydrophobicContact CZ3-CD1 3.93Å; W155-Y166 HydrophobicContact CZ3-CG 4.34Å; Q162-Y166 PolarHBondContact O-N 2.94Å; K163-Y166 PolarHBondContact O-N 3.09Å; E164-Y166 VanDerWaalsContact C-N 3.33Å; E164-Y166 PolarHBondContact O-N 3.06Å; Y166-N168 PolarHBondContact O-N 3.22Å; Y166-V169 PolarHBondContact O-N 3.49Å; Y166-M170 HydrophobicContact CD1-CG 4.07Å; Y166-M170 HydrophobicContact CD2-CG 4.33Å; Y166-M170 HydrophobicContact CE1-CG 3.67Å; Y166-M170 HydrophobicContact CE2-CG 3.94Å; Y166-M170 HydrophobicContact CE2-SD 4.21Å; Y166-M170 HydrophobicContact CG-CG 4.39Å; Y166-M170 WeakPolarHBondContact O-CB 3.28Å; Y166-M170 VanDerWaalsContact O-CG 3.3Å; Y166-M170 WeakPolarHBondContact O-CG 3.32Å; Y166-M170 PolarHBondContact O-N 3.24Å
167R69.9Low64.1Low114 Ų11490.6 Ų90.643%0.4344%0.442SS..Hα-helixtrans-56.4-50.8175-77-170-68.7-98.43.2111.6K163 E164 V169 M170 E171K163-R167 WeakPolarHBondContact O-CG 3.44Å; K163-R167 PolarHBondContact O-N 2.74Å; E164-R167 PolarHBondContact O-N 2.73Å; E164-R167 IonicContact OE2-CZ 3.35Å; E164-R167 IonicContact OE2-NE 2.69Å; E164-R167 PolarHBondContact OE2-NE 3.49Å; E164-R167 IonicContact OE2-NH2 2.68Å; E164-R167 PolarHBondContact OE2-NH2 3.44Å; R167-V169 VanDerWaalsContact C-N 3.34Å; R167-V169 PolarHBondContact O-N 3.33Å; R167-M170 PolarHBondContact O-N 2.89Å; R167-E171 VanDerWaalsContact O-CB 3.27Å; R167-E171 WeakPolarHBondContact O-CB 3.46Å; R167-E171 PolarHBondContact O-N 2.97Å
168N66.6Low63.5Low74 Ų7488.2 Ų88.240%0.39643%0.432SS..Hα-helixtrans-61.2-40.6-179.5-76.4-61000112.7E164 L165 Y166 S172E164-N168 WeakPolarHBondContact O-CB 3.4Å; E164-N168 PolarHBondContact O-N 2.84Å; E164-N168 PolarHBondContact O-ND2 3.38Å; E164-N168 PolarHBondContact OE1-ND2 3.49Å; L165-N168 PolarHBondContact O-N 3.36Å; Y166-N168 PolarHBondContact O-N 3.22Å; N168-S172 VanDerWaalsContact O-CB 3.32Å; N168-S172 WeakPolarHBondContact O-CB 3.2Å; N168-S172 PolarHBondContact O-N 3.19Å
169V67.7Low62.7Low72 Ų7290.2 Ų90.244%0.43645%0.449SS..Hα-helixtrans-67.7-44.2177.3171.30000110.9L165 Y166 R167 N173L165-V169 VanDerWaalsContact O-CG2 3.28Å; L165-V169 WeakPolarHBondContact O-CG2 3.4Å; L165-V169 PolarHBondContact O-N 3.12Å; Y166-V169 PolarHBondContact O-N 3.49Å; R167-V169 VanDerWaalsContact C-N 3.34Å; R167-V169 PolarHBondContact O-N 3.33Å; V169-N173 WeakPolarHBondContact O-CB 3.36Å; V169-N173 PolarHBondContact O-N 2.7Å; V169-N173 PolarHBondContact O-ND2 3.22Å
170M63.5Low61.6Low56 Ų5689.6 Ų89.628%0.27645%0.449SS..Hα-helixtrans-64.6-44.7177.9-71.3-58.5-65.600111.2Y166 R167 N173 Y174Y166-M170 HydrophobicContact CD1-CG 4.07Å; Y166-M170 HydrophobicContact CD2-CG 4.33Å; Y166-M170 HydrophobicContact CE1-CG 3.67Å; Y166-M170 HydrophobicContact CE2-CG 3.94Å; Y166-M170 HydrophobicContact CE2-SD 4.21Å; Y166-M170 HydrophobicContact CG-CG 4.39Å; Y166-M170 WeakPolarHBondContact O-CB 3.28Å; Y166-M170 VanDerWaalsContact O-CG 3.3Å; Y166-M170 WeakPolarHBondContact O-CG 3.32Å; Y166-M170 PolarHBondContact O-N 3.24Å; R167-M170 PolarHBondContact O-N 2.89Å; M170-N173 WeakPolarHBondContact O-CB 3.41Å; M170-N173 PolarHBondContact O-N 2.93Å; M170-Y174 HydrophobicContact CE-CE2 3.81Å; M170-Y174 WeakPolarHBondContact O-CD2 3.31Å; M170-Y174 PolarHBondContact O-N 2.95Å
171E60.2Low60.9Low111 Ų11190.2 Ų90.252%0.51945%0.446SS..Hα-helixtrans-59.9-49.4177-171.9168.6-152.400111.4R167 N173 Y174 E175R167-E171 VanDerWaalsContact O-CB 3.27Å; R167-E171 WeakPolarHBondContact O-CB 3.46Å; R167-E171 PolarHBondContact O-N 2.97Å; E171-N173 VanDerWaalsContact C-N 3.29Å; E171-N173 PolarHBondContact O-N 3.37Å; E171-Y174 CarbonylContact O-C 3.58Å; E171-Y174 PolarHBondContact O-N 3.36Å; E171-E175 WeakPolarHBondContact O-CG 3.24Å; E171-E175 PolarHBondContact O-N 3.3Å
172S52Low60.1Low59 Ų5987.7 Ų87.741%0.41345%0.446SS..Hα-helixtrans-60.4-37.7176.3-175.30000112.8N168 T176N168-S172 VanDerWaalsContact O-CB 3.32Å; N168-S172 WeakPolarHBondContact O-CB 3.2Å; N168-S172 PolarHBondContact O-N 3.19Å; S172-T176 WeakPolarHBondContact O-CB 3.41Å; S172-T176 PolarHBondContact O-N 2.85Å; S172-T176 PolarHBondContact O-OG1 3.3Å
173N67.4Low59.1Low85 Ų8590.7 Ų90.746%0.45546%0.464SS..Hα-helixtrans-65.9-41.5174.3-70.9-22.8000111.6V169 M170 E171 T176 L177V169-N173 WeakPolarHBondContact O-CB 3.36Å; V169-N173 PolarHBondContact O-N 2.7Å; V169-N173 PolarHBondContact O-ND2 3.22Å; M170-N173 WeakPolarHBondContact O-CB 3.41Å; M170-N173 PolarHBondContact O-N 2.93Å; E171-N173 VanDerWaalsContact C-N 3.29Å; E171-N173 PolarHBondContact O-N 3.37Å; N173-T176 PolarHBondContact O-N 2.97Å; N173-L177 WeakPolarHBondContact O-CB 3.3Å; N173-L177 WeakPolarHBondContact O-CG 3.33Å; N173-L177 PolarHBondContact O-N 3.39Å
174Y55.7Low57.7Low124 Ų12491.3 Ų91.349%0.48648%0.479SS..Hα-helixtrans-65.7-44.2175.1-81-66.7000112M170 E171 T176 L177 V178M170-Y174 HydrophobicContact CE-CE2 3.81Å; M170-Y174 WeakPolarHBondContact O-CD2 3.31Å; M170-Y174 PolarHBondContact O-N 2.95Å; E171-Y174 CarbonylContact O-C 3.58Å; E171-Y174 PolarHBondContact O-N 3.36Å; Y174-T176 VanDerWaalsContact C-N 3.27Å; Y174-T176 PolarHBondContact O-N 3.42Å; Y174-L177 PolarHBondContact O-N 3.49Å; Y174-L177 VanDerWaalsContact O-N 3.16Å; Y174-V178 WeakPolarHBondContact O-CB 3.31Å; Y174-V178 VanDerWaalsContact O-CG2 3.28Å; Y174-V178 WeakPolarHBondContact O-CG2 3.45Å; Y174-V178 PolarHBondContact O-N 2.94Å
175E58.6Low56.3Low116 Ų11692.9 Ų92.954%0.54249%0.486SS..Hα-helixtrans-58.2-41.1173.9-73.8-177.6156.200111.7E171 V178 S179E171-E175 WeakPolarHBondContact O-CG 3.24Å; E171-E175 PolarHBondContact O-N 3.3Å; E175-V178 PolarHBondContact O-N 3.44Å; E175-S179 VanDerWaalsContact O-CB 3.31Å; E175-S179 WeakPolarHBondContact O-CB 3.38Å; E175-S179 PolarHBondContact O-N 2.68Å; E175-S179 PolarHBondContact O-OG 3.22Å
176T54.3Low55.3Low73 Ų7394 Ų9445%0.44850%0.497SS..Hα-helixtrans-64.7-44.4175.8-56.30000110.9S172 N173 Y174 S179 L180S172-T176 WeakPolarHBondContact O-CB 3.41Å; S172-T176 PolarHBondContact O-N 2.85Å; S172-T176 PolarHBondContact O-OG1 3.3Å; N173-T176 PolarHBondContact O-N 2.97Å; Y174-T176 VanDerWaalsContact C-N 3.27Å; Y174-T176 PolarHBondContact O-N 3.42Å; T176-S179 PolarHBondContact O-N 3.25Å; T176-L180 HydrophobicContact CG2-CD1 4.26Å; T176-L180 WeakPolarHBondContact O-CB 3.42Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.38Å; T176-L180 PolarHBondContact O-N 3.47Å
177L48.7Very low53.7Low108 Ų10898.8 Ų98.857%0.56552%0.522SS*.Hα-helixtrans-65.2-39176.7-75.3169.4000112.4N173 Y174 L180 K181N173-L177 WeakPolarHBondContact O-CB 3.3Å; N173-L177 WeakPolarHBondContact O-CG 3.33Å; N173-L177 PolarHBondContact O-N 3.39Å; Y174-L177 PolarHBondContact O-N 3.49Å; Y174-L177 VanDerWaalsContact O-N 3.16Å; L177-L180 PolarHBondContact O-N 3.05Å; L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.44Å
178V57.1Low52.1Low88 Ų8896.4 Ų96.453%0.53353%0.533SS..Hα-helixtrans-65.3-44.6174.1171.20000110.2Y174 E175 L180 K181 V182Y174-V178 WeakPolarHBondContact O-CB 3.31Å; Y174-V178 VanDerWaalsContact O-CG2 3.28Å; Y174-V178 WeakPolarHBondContact O-CG2 3.45Å; Y174-V178 PolarHBondContact O-N 2.94Å; E175-V178 PolarHBondContact O-N 3.44Å; V178-L180 VanDerWaalsContact C-N 3.29Å; V178-L180 PolarHBondContact O-N 2.96Å; V178-K181 WeakPolarHBondContact O-CB 3.5Å; V178-K181 PolarHBondContact O-N 3.38Å; V178-V182 HydrophobicContact CG1-CG2 4.45Å; V178-V182 WeakPolarHBondContact O-CG2 3.26Å; V178-V182 PolarHBondContact O-N 3.36Å
179S48.7Very low50.5Low74 Ų74100.8 Ų100.852%0.51755%0.552SS.*Hα-helixtrans-60-39.6175.9-600000111.8E175 T176 L183E175-S179 VanDerWaalsContact O-CB 3.31Å; E175-S179 WeakPolarHBondContact O-CB 3.38Å; E175-S179 PolarHBondContact O-N 2.68Å; E175-S179 PolarHBondContact O-OG 3.22Å; T176-S179 PolarHBondContact O-N 3.25Å; S179-L183 WeakPolarHBondContact O-CG 3.19Å; S179-L183 PolarHBondContact O-N 2.85Å
180L47.8Very low48.8Very low106 Ų106101.4 Ų101.456%0.55556%0.564SS**Hα-helixtrans-69.5-34.7173.6-71.3169.2000112.7T176 L177 V178 L183 G184T176-L180 HydrophobicContact CG2-CD1 4.26Å; T176-L180 WeakPolarHBondContact O-CB 3.42Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.38Å; T176-L180 PolarHBondContact O-N 3.47Å; L177-L180 PolarHBondContact O-N 3.05Å; V178-L180 VanDerWaalsContact C-N 3.29Å; V178-L180 PolarHBondContact O-N 2.96Å; L180-L183 PolarHBondContact O-N 3.4Å; L180-G184 PolarHBondContact O-N 3.31Å
181K56.1Low47.4Very low140 Ų140108.1 Ų108.161%0.60960%0.595SS**Hα-helixtrans-68.3-39.6175.8-167.7105.2-178.6-173.80111.8L177 V178 L183 G184 Q185L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.44Å; V178-K181 WeakPolarHBondContact O-CB 3.5Å; V178-K181 PolarHBondContact O-N 3.38Å; K181-L183 PolarHBondContact O-N 3.49Å; K181-G184 WeakPolarHBondContact O-CA 3.3Å; K181-G184 PolarHBondContact O-N 3.34Å; K181-Q185 PolarHBondContact O-N 3.25Å; K181-Q185 VanDerWaalsContact O-N 3.15Å
182V53.5Low46.1Very low96 Ų96110.9 Ų110.958%0.58261%0.612SS**Hα-helixtrans-60.8-32.9174.21730000110.8V178 G184V178-V182 HydrophobicContact CG1-CG2 4.45Å; V178-V182 WeakPolarHBondContact O-CG2 3.26Å; V178-V182 PolarHBondContact O-N 3.36Å; V182-G184 VanDerWaalsContact C-N 3.32Å
183L42.1Very low45Very low130 Ų130111.2 Ų111.268%0.68163%0.625SS**Hα-helixtrans-74.7-19.3172.8-64.8175.8000113.8S179 L180 K181S179-L183 WeakPolarHBondContact O-CG 3.19Å; S179-L183 PolarHBondContact O-N 2.85Å; L180-L183 PolarHBondContact O-N 3.4Å; K181-L183 PolarHBondContact O-N 3.49Å
184G42.7Very low43.1Very low44 Ų44113.9 Ų113.945%0.45464%0.644SS.*Hα-helixtrans-92-19.3-179.300000114.9L180 K181 V182 T186 E187L180-G184 PolarHBondContact O-N 3.31Å; K181-G184 WeakPolarHBondContact O-CA 3.3Å; K181-G184 PolarHBondContact O-N 3.34Å; V182-G184 VanDerWaalsContact C-N 3.32Å; G184-T186 VanDerWaalsContact C-N 3.32Å; G184-T186 PolarHBondContact O-N 2.73Å; G184-E187 PolarHBondContact O-N 2.83Å
185Q41.2Very low42Very low114 Ų114116.9 Ų116.953%0.53366%0.663SS.*THydrogen-bonded Turntrans-840.8-176.4-76.7-176.4-3800114.8K181 E187K181-Q185 PolarHBondContact O-N 3.25Å; K181-Q185 VanDerWaalsContact O-N 3.15Å; Q185-E187 PolarHBondContact O-N 2.92Å
186T37.5Very low40.5Very low122 Ų122119.6 Ų119.675%0.74868%0.677SS**THydrogen-bonded Turntrans-79.2-4.8166.849.50000113.2G184G184-T186 VanDerWaalsContact C-N 3.32Å; G184-T186 PolarHBondContact O-N 2.73Å
187E35.8Very low39.2Very low168 Ų168124.6 Ų124.679%0.78570%0.701SS**SBendtrans-111.881.5180-62.7-171.5176.300110.9G184 Q185G184-E187 PolarHBondContact O-N 2.83Å; Q185-E187 PolarHBondContact O-N 2.92Å
188G37.2Very low38.3Very low65 Ų65122.7 Ų122.767%0.6771%0.707SS**  trans57.980.3151.200000116.7A190G188-A190 PolarHBondContact O-N 2.85Å
189E32.1Very low36.8Very low166 Ų166125.3 Ų125.378%0.77672%0.718SS**  trans-67.772.9146.4-67.7-176.8171.100108.1E191E189-E191 PolarHBondContact O-N 3Å
190A33.6Very low35.8Very low85 Ų85128.3 Ų128.370%0.70273%0.728SS**  trans-73.4108.2157.900000106G188 L192G188-A190 PolarHBondContact O-N 2.85Å; A190-L192 PolarHBondContact O-N 3.45Å
191E34.1Very low34.8Very low196 Ų196131.1 Ų131.192%0.91674%0.738SS**  trans-41.8103.5176.9-61.2178.6147.700111.3E189 G193E189-E191 PolarHBondContact O-N 3Å; E191-G193 VanDerWaalsContact C-N 3.26Å; E191-G193 PolarHBondContact O-N 2.77Å
192L31.6Very low33.5Very low170 Ų170133 Ų13389%0.8975%0.749SS**  trans-74.690.3163.8-79.2171.7000107.4A190 T194A190-L192 PolarHBondContact O-N 3.45Å; L192-T194 PolarHBondContact O-N 3.01Å
193G29.8Very low32.2Very low65 Ų65137.3 Ų137.367%0.6776%0.763SS**  trans-47.7125.6163.700000110.2E191 E195E191-G193 VanDerWaalsContact C-N 3.26Å; E191-G193 PolarHBondContact O-N 2.77Å; G193-E195 PolarHBondContact O-N 2.96Å; G193-E195 VanDerWaalsContact O-N 3.07Å
194T27Very low31.6Very low142 Ų142134.6 Ų134.687%0.87177%0.766SS**  trans-72.390.4171.8-60.80000108.2L192L192-T194 PolarHBondContact O-N 3.01Å
195E31.8Very low31Very low186 Ų186138.8 Ų138.887%0.86979%0.785SS**  trans-129.796.1168.3-71.5-168.2157.500110.2G193G193-E195 PolarHBondContact O-N 2.96Å; G193-E195 VanDerWaalsContact O-N 3.07Å
196M28.9Very low30.3Very low173 Ų173137.3 Ų137.385%0.85280%0.8SS**  trans20.2118.9146.3-71.4-174.845.300119.4G198M196-G198 PolarHBondContact O-N 3.06Å; M196-G198 VanDerWaalsContact O-N 3.1Å
197L26.8Very low30Very low179 Ų179135 Ų13594%0.93780%0.801SS**  trans-38.8106.6148.2-80.7144.6000111.9
198G29.2Very low29.5Very low68 Ų68132.1 Ų132.170%0.70181%0.806SS**  trans-129.195.4166.900000109.1M196M196-G198 PolarHBondContact O-N 3.06Å; M196-G198 VanDerWaalsContact O-N 3.1Å
199D26.6Very low29.3Very low143 Ų143137.9 Ų137.977%0.76582%0.815SS**  trans13.9127.4146.3-64-32.3000120.4
200L26.9Very low29.5Very low136 Ų136135.1 Ų135.171%0.71281%0.811SS**  trans78.4119.3131.6-64.6169.2000119.7
201E26.2Very low29.5Very low166 Ų166136.6 Ų136.678%0.77682%0.824SS**  trans96133.4132.2-71.5171.4-177.900120.4
202E30.1Very low29.1Very low180 Ų180130.5 Ų130.584%0.84181%0.813SS**  trans89.888.3152.4-61.2-104.213100118.9
203E25.5Very low29Very low186 Ų186126.1 Ų126.187%0.86981%0.809SS**  trans-2.1120.6133.7-65.2-73.9132.600117.3
204G29.6Very low29Very low72 Ų72129.1 Ų129.174%0.74281%0.814SS**  trans-159.8105.3164.100000111.5
205P29.2Very low29.1Very low132 Ų132131 Ų13186%0.85782%0.815SS**  trans-91120178.832.5-28.1000110.5
206G27.3Very low29.2Very low83 Ų83129 Ų12986%0.85681%0.81SS**  trans159.1107.1167.900000114.1
207G30.2Very low29.3Very low74 Ų74130.3 Ų130.376%0.76381%0.81SS**  trans16771.5170.800000112.8H209G207-H209 PolarHBondContact O-N 3.45Å
208A26.5Very low29.5Very low108 Ų108130 Ų13089%0.89380%0.804SS**  trans-60.8119.6163.400000109
209H33.3Very low29.6Very low185 Ų185135.3 Ų135.386%0.85681%0.811SS**  trans-121.3141.8167.6-127.5-99.4000110.1G207G207-H209 PolarHBondContact O-N 3.45Å
210P35Very low29.7Very low108 Ų108136.8 Ų136.870%0.70182%0.818SS**  trans-88.7141.3-152.233.2-29.6000112.8G212P210-G212 PolarHBondContact O-N 3.2Å; P210-G212 VanDerWaalsContact O-N 3.12Å
211A33.6Very low30Very low116 Ų116138.8 Ų138.896%0.95982%0.823SS**  trans-66.4102.2170.200000110.3
212G27Very low30Very low68 Ų68140.8 Ų140.870%0.70183%0.825SS**  trans-146.850.1178.100000111.9P210P210-G212 PolarHBondContact O-N 3.2Å; P210-G212 VanDerWaalsContact O-N 3.12Å
213G27.9Very low30Very low78 Ų78137.7 Ų137.780%0.80482%0.819SS**  trans-85.9107.1175.200000111.2
214V31.5Very low30.3Very low128 Ų128137.1 Ų137.178%0.77682%0.816SS**  trans-68127.8176.7175.40000110.1I216V214-I216 PolarHBondContact O-N 2.69Å
215M28.4Very low30.5Very low181 Ų181142.4 Ų142.489%0.89282%0.821SS**  trans-72.1111.2174.8-69.9-134.6-78.500110.9K217M215-K217 PolarHBondContact O-N 3.35Å
216I32.7Very low30.6Very low146 Ų146139.1 Ų139.175%0.74981%0.811SS**  trans-84.4109.1170.6-59.7171.5000107.6V214 Q218V214-I216 PolarHBondContact O-N 2.69Å; I216-Q218 HydrophobicContact CG2-CG 4.29Å; I216-Q218 PolarHBondContact O-N 3.12Å
217K32.5Very low31Very low199 Ų199141.3 Ų141.387%0.86581%0.811SS**  trans-72.8104167.6-83.7178.4171.3177.80108.5M215 E219M215-K217 PolarHBondContact O-N 3.35Å; K217-E219 PolarHBondContact O-N 3.44Å
218Q29.8Very low31.2Very low172 Ų172142.2 Ų142.280%0.80481%0.811SS**  trans-86.1102.9164-77178.4-32.500108.4I216 L220I216-Q218 HydrophobicContact CG2-CG 4.29Å; I216-Q218 PolarHBondContact O-N 3.12Å; Q218-L220 PolarHBondContact O-N 3.3Å
219E31.4Very low31.6Very low181 Ų181144.7 Ų144.785%0.84681%0.809SS**  trans-70.9103162.6-91171.4150.600108.1K217 Q221K217-E219 PolarHBondContact O-N 3.44Å; E219-Q221 PolarHBondContact O-N 3.48Å
220L29.5Very low31.6Very low174 Ų174143.8 Ų143.891%0.91181%0.81SS**  trans-62.899.2170.1-83.6147.1000109.2Q218 Y222Q218-L220 PolarHBondContact O-N 3.3Å; L220-Y222 PolarHBondContact O-N 3.28Å; L220-Y222 VanDerWaalsContact O-N 3.16Å
221Q32.1Very low31.4Very low178 Ų178144.6 Ų144.683%0.83282%0.815SS**  trans-74.398167-72.1178.8-2.300108.2E219 T223E219-Q221 PolarHBondContact O-N 3.48Å; Q221-T223 PolarHBondContact O-N 2.94Å; Q221-T223 VanDerWaalsContact O-N 3.15Å
222Y26.5Very low31.4Very low207 Ų207141.9 Ų141.981%0.81280%0.799SS**  trans-74.697.8172.8-166.5-96.1000108.8L220 Q224L220-Y222 PolarHBondContact O-N 3.28Å; L220-Y222 VanDerWaalsContact O-N 3.16Å; Y222-Q224 HydrophobicContact CD1-CG 4.18Å; Y222-Q224 HydrophobicContact CE1-CG 4.19Å; Y222-Q224 PolarHBondContact O-N 3.24Å
223T31.2Very low31.7Very low115 Ų115148 Ų14871%0.70681%0.809SS**  trans-70.3105.7167.334.90000108.6Q221 E225Q221-T223 PolarHBondContact O-N 2.94Å; Q221-T223 VanDerWaalsContact O-N 3.15Å; T223-E225 PolarHBondContact O-N 3.27Å
224Q31.4Very low32Very low174 Ų174153.3 Ų153.381%0.81381%0.81SS**  trans-63.8102166.1-86.9178.4-11.800108.5Y222 G226Y222-Q224 HydrophobicContact CD1-CG 4.18Å; Y222-Q224 HydrophobicContact CE1-CG 4.19Å; Y222-Q224 PolarHBondContact O-N 3.24Å; Q224-G226 PolarHBondContact O-N 3.46Å
225E33.2Very low31.7Very low183 Ų183152.7 Ų152.786%0.85581%0.812SS**  trans-71.3111.2164-62.5-146.6154.400108.1T223T223-E225 PolarHBondContact O-N 3.27Å
226G30.6Very low31.8Very low63 Ų63149.9 Ų149.965%0.64981%0.808SS**PPolyproline II helixtrans-64.4140.4175.300000110.6Q224 A228Q224-G226 PolarHBondContact O-N 3.46Å; G226-A228 PolarHBondContact O-N 3.25Å
227P37Very low31.8Very low129 Ų129150.5 Ų150.584%0.83881%0.812SS**PPolyproline II helixtrans-64.7132.5179.626-31.9000110.5D229P227-D229 PolarHBondContact O-N 3.05Å
228A34.1Very low31.8Very low94 Ų94145.5 Ų145.578%0.77781%0.808SS**PPolyproline II helixtrans-56131.3-179.400000112.5G226 L230G226-A228 PolarHBondContact O-N 3.25Å; A228-L230 PolarHBondContact O-N 3.24Å
229D34Very low31.9Very low159 Ų159146.1 Ų146.185%0.8581%0.811SS**  trans-52114.8169.7-79.2-51.1000111.2P227P227-D229 PolarHBondContact O-N 3.05Å
230L33.4Very low32.1Very low166 Ų166146.7 Ų146.787%0.86981%0.813SS**  trans-109.1114.3158.5-78.9173.2000108.5A228 G232A228-L230 PolarHBondContact O-N 3.24Å; L230-G232 PolarHBondContact O-N 3.47Å
231P32.1Very low32.3Very low126 Ų126147 Ų14782%0.81881%0.81SS**  trans-82.510817530.9-28.4000109.2
232G33.5Very low32.4Very low59 Ų59142.7 Ų142.761%0.60881%0.805SS**  trans-125.796.9172.300000109.8L230 F234L230-G232 PolarHBondContact O-N 3.47Å; G232-F234 PolarHBondContact O-N 2.58Å
233E32.8Very low32.5Very low197 Ų197142.2 Ų142.292%0.92181%0.807SS**  trans-57.1103.5172.3-66.6177.1149.500110.4
234F33.2Very low32.5Very low188 Ų188144.6 Ų144.683%0.82582%0.815SS**  trans-116.999.1158-75-78.6000107.4G232 C236G232-F234 PolarHBondContact O-N 2.58Å; F234-C236 PolarHBondContact O-N 2.83Å; F234-C236 VanDerWaalsContact O-N 3.07Å; F234-C236 PolarHBondContact O-SG 3.22Å
235S27Very low32.5Very low116 Ų116141.4 Ų141.481%0.81181%0.812SS**  trans-67.298.1171.843.20000109.3I237S235-I237 PolarHBondContact O-N 3.07Å
236C28.8Very low32.3Very low121 Ų121138.5 Ų138.582%0.81881%0.809SS**  trans-71116172.4-420000108.8F234 A238F234-C236 PolarHBondContact O-N 2.83Å; F234-C236 VanDerWaalsContact O-N 3.07Å; F234-C236 PolarHBondContact O-SG 3.22Å; C236-A238 PolarHBondContact O-N 3.17Å
237I33.2Very low32.3Very low159 Ų159143.9 Ų143.982%0.81582%0.817SS**  trans-67.8127.4173.6-49.3167.6000107.3S235 E239S235-I237 PolarHBondContact O-N 3.07Å; I237-E239 PolarHBondContact O-N 3.4Å
238A32.3Very low32.2Very low95 Ų95146.3 Ų146.379%0.78582%0.817SS**  trans-69.9111.2178.200000110.2C236C236-A238 PolarHBondContact O-N 3.17Å
239E33.1Very low32Very low185 Ų185148.7 Ų148.786%0.86482%0.822SS**  trans-83.1115.3167.7-77.6-177.8149.900109.5I237 Q241I237-E239 PolarHBondContact O-N 3.4Å; E239-Q241 PolarHBondContact O-N 3.43Å
240E34.1Very low32Very low193 Ų193148.6 Ų148.690%0.90282%0.816SS**  trans-63.2125.8175.4-79.3177.6112.700111.6A242E240-A242 PolarHBondContact O-N 2.78Å; E240-A242 VanDerWaalsContact O-N 3.09Å
241Q33.9Very low31.8Very low179 Ų179148.3 Ų148.384%0.83682%0.815SS**  trans-72.492.8171.9-71175.2-17.800110.5E239 F243E239-Q241 PolarHBondContact O-N 3.43Å; Q241-F243 PolarHBondContact O-N 3.26Å
242A34.3Very low32Very low88 Ų88154.5 Ų154.573%0.72782%0.822SS**  trans-80.4100166.400000110.1E240 L244E240-A242 PolarHBondContact O-N 2.78Å; E240-A242 VanDerWaalsContact O-N 3.09Å; A242-L244 PolarHBondContact O-N 2.83Å
243F28.7Very low31.5Very low198 Ų198155.5 Ų155.587%0.86883%0.833SS**  trans-62.1109.6165.6-96.6-101.8000109.9Q241Q241-F243 PolarHBondContact O-N 3.26Å
244L32.8Very low31.6Very low165 Ų165150 Ų15086%0.86483%0.829SS**  trans-102.8107.7167-74.3166.2000108.5A242A242-L244 PolarHBondContact O-N 2.83Å
245S29.6Very low31.4Very low106 Ų106150.4 Ų150.474%0.74183%0.833SS**  trans-75.4133.3175.8-160.80000110.5E247S245-E247 PolarHBondContact O-N 2.96Å
246P29.7Very low31.4Very low122 Ų122148.3 Ų148.379%0.79283%0.83SS**  trans-9594.6-178.733.4-27.6000111.4
247E30.6Very low31.6Very low176 Ų176148 Ų14882%0.82283%0.829SS**  trans-136.9120.6161.2-73-171.9132.900107S245S245-E247 PolarHBondContact O-N 2.96Å
248Q35.1Very low31.2Very low181 Ų181145.7 Ų145.785%0.84683%0.827SS**  trans159.474.6157.3-77.5-100.6-40.600107.4
249T30.5Very low31.2Very low144 Ų144147.6 Ų147.688%0.88383%0.828SS**  trans-114.373.9167.6-37.40000107.2
250E33Very low30.8Very low156 Ų156145.4 Ų145.473%0.72982%0.822SS**  trans-97.2128.4175.2-83.2-86.7140.800109.9
251L29.3Very low30.6Very low161 Ų161143.6 Ų143.684%0.84382%0.817SS**  trans-41.6126.8175.1-91.466.2000114.2
252W35.7Very low30.2Very low255 Ų255142.5 Ų142.597%0.96681%0.812SS**  trans-120.491.1154.4-74.164.8000108.9
253G24.7Very low30.1Very low80 Ų80144.4 Ų144.483%0.82582%0.815SS**  trans-84.3101.2163.900000109.3
254G33.5Very low30.1Very low81 Ų81138.5 Ų138.584%0.83581%0.81SS**  trans-107.9101.7171.800000110.2
255Q29.3Very low30.4Very low198 Ų198137 Ų13793%0.92581%0.811SS**  trans-82.3141.8172.3-67.6178.2-8.400110.7
256G27.8Very low30.7Very low71 Ų71135.9 Ų135.973%0.73282%0.816SS**  trans92.6110.4146.900000116.7
257S31.9Very low30.5Very low115 Ų115137.6 Ų137.680%0.80482%0.818SS**  174.4119.795.541.10000109.6V259S257-V259 PolarHBondContact O-N 2.84Å
258S25.7Very low30.8Very low110 Ų110134.1 Ų134.177%0.76981%0.813SS**  trans-66116.9169.2176.80000108.8
259V32.6Very low30.5Very low135 Ų135131.3 Ų131.382%0.81881%0.809SS**  trans-111.9116.5163.5177.70000107S257S257-V259 PolarHBondContact O-N 2.84Å
260L24Very low30.7Very low140 Ų140132.3 Ų132.373%0.73381%0.808SS**  trans-123.1109-175.3-164.3150.2000106.1
261L29.3Very low30.5Very low154 Ų154133 Ų13381%0.80681%0.811SS**  trans-164.7102.1165.6-103.3126.8000105.8
262E25.3Very low30.6Very low156 Ų156133.8 Ų133.873%0.72981%0.81SS**  77.6138.182.7-83.2-86.9128.800113.1
263T33.1Very low30.8Very low129 Ų129127.6 Ų127.679%0.79180%0.803SS**  trans89.796.416472.20000119.3
264G29.4Very low31.1Very low74 Ų74130.5 Ų130.576%0.76380%0.804SS**  102.3140.2105.100000117.9
265P38.3Very low31Very low134 Ų134129.8 Ų129.887%0.8780%0.797SS**  trans-102.2139.8-154.636-24.9000113.7
266G35.4Very low31.1Very low82 Ų82125.6 Ų125.685%0.84579%0.789SS**  trans-103.2107167.100000110.1
267D26.3Very low31.3Very low157 Ų157133.9 Ų133.984%0.8480%0.799SS**  trans-81.5118.4176.9-163.55.5000109.3
268S37.7Very low31.3Very low103 Ų103134.6 Ų134.672%0.7280%0.798SS**  trans-161.792.6161.360.70000110.9
269T27.3Very low31.7Very low123 Ų123135 Ų13576%0.75580%0.797SS**  trans-12.6120.1145.949.10000116
270L34.8Very low31.7Very low164 Ų164134.2 Ų134.286%0.85980%0.798SS**  trans-151.191.7153.9-115.3159000110
271E29.8Very low32Very low172 Ų172132.4 Ų132.480%0.80480%0.797SS**  trans25.8119146.3-59.5-65.9100.800119.6
272E30.3Very low32.2Very low177 Ų177130.1 Ų130.183%0.82779%0.794SS**  trans-70.5144167.2-62.6-140.8130.200113.4
273P40.1Very low32.4Very low125 Ų125133.5 Ų133.581%0.81280%0.8SS**  trans-97.2115.5151.121.8-6.2000110.4G275P273-G275 PolarHBondContact O-N 2.77Å
274V31.8Very low32.3Very low140 Ų140133.7 Ų133.785%0.84880%0.801SS**  trans-59118.3171.2175.30000110.6
275G31.7Very low32.6Very low66 Ų66136.9 Ų136.968%0.6881%0.806SS**  trans-140.275.1178.100000111.9P273 R277P273-G275 PolarHBondContact O-N 2.77Å; G275-R277 PolarHBondContact O-N 2.64Å
276S31Very low32.3Very low110 Ų110134 Ų13477%0.76980%0.8SS**  trans-22.9105.8170.7450000117
277R32Very low31.9Very low246 Ų246135.7 Ų135.793%0.92880%0.798SS**  trans-101.2111.9154.7-88.7-174.8-179.1-159.50.8109.6G275 P279G275-R277 PolarHBondContact O-N 2.64Å; R277-P279 WeakPolarHBondContact O-CD 3.43Å
278V32Very low32.2Very low130 Ų130133.8 Ų133.879%0.78879%0.794SS**  trans-65.7124.1175.7178.90000109.8
279P33.2Very low32.2Very low117 Ų117138.8 Ų138.876%0.7680%0.803SS**  trans-86119.1174.1-1.820.2000110.6R277 S281R277-P279 WeakPolarHBondContact O-CD 3.43Å; P279-S281 PolarHBondContact O-N 3.21Å
280S33.4Very low32.5Very low120 Ų120142.3 Ų142.384%0.83981%0.811SS**  trans-69.799.6171.5-60.70000110.6S282S280-S282 PolarHBondContact O-N 3.2Å
281S30.8Very low32.4Very low101 Ų101144.4 Ų144.471%0.70681%0.813SS**  trans-68106.3170.8148.60000110.9P279P279-S281 PolarHBondContact O-N 3.21Å
282S33.2Very low32.4Very low107 Ų107141.9 Ų141.975%0.74881%0.814SS**  trans-104.590.7158.751.70000109.5S280 T284S280-S282 PolarHBondContact O-N 3.2Å; S282-T284 PolarHBondContact O-N 2.75Å; S282-T284 VanDerWaalsContact O-N 3.09Å
283R29.2Very low32.7Very low227 Ų227141.6 Ų141.686%0.85781%0.813SS**  trans-59.1107169.8-79.2178.7179.2-172.5-0.9109.6
284T31.7Very low32.4Very low132 Ų132147.3 Ų147.381%0.8182%0.818SS**  trans-100.8111.7159.336.80000107.9S282 G286S282-T284 PolarHBondContact O-N 2.75Å; S282-T284 VanDerWaalsContact O-N 3.09Å; T284-G286 PolarHBondContact O-N 3.11Å; T284-G286 VanDerWaalsContact O-N 3.1Å
285V34.4Very low32.1Very low142 Ų142147.4 Ų147.486%0.86181%0.809SS**  trans-70.2101.9178.7176.90000107.9
286G32.1Very low32.3Very low72 Ų72150.6 Ų150.674%0.74282%0.815SS**PPolyproline II helixtrans-71.9121.2173.900000111T284T284-G286 PolarHBondContact O-N 3.11Å; T284-G286 VanDerWaalsContact O-N 3.1Å
287C27.1Very low32.1Very low119 Ų119152.7 Ų152.780%0.80481%0.813SS**PPolyproline II helixtrans-87.1136.2175.5-164.20000110.3
288P33.3Very low32.2Very low117 Ų117147.9 Ų147.976%0.7681%0.805SS**PPolyproline II helixtrans-86.7118-168.199.7000111
289K36.9Very low32Very low207 Ų207149.6 Ų149.690%0.981%0.81SS**PPolyproline II helixtrans-92.8121.9166.5-76.8-175178179.10109.8
290Q34.1Very low32Very low197 Ų197150.6 Ų150.692%0.92180%0.804SS**PPolyproline II helixtrans-62.8134.8-174.7-67.6-178.6-29.500112.2
291K32.4Very low31.8Very low208 Ų208152.5 Ų152.590%0.90480%0.8SS**PPolyproline II helixtrans-72.7116.6170.5-71.2171.6174.4177.20109
292S29.6Very low31.5Very low119 Ų119153.2 Ų153.283%0.83280%0.803SS**  trans-101104.2157.476.80000108.8R294S292-R294 PolarHBondContact O-N 3.4Å
293H36.3Very low31.2Very low172 Ų172152 Ų15280%0.79681%0.807SS**  trans-73.4114.2174.6-155.2-102.5000108.5
294R33.4Very low31.3Very low245 Ų245149.9 Ų149.993%0.92581%0.807SS**  trans-140.476.6163.3-151.7172.9175165.6-1.7109.3S292S292-R294 PolarHBondContact O-N 3.4Å
295Q26.8Very low31.3Very low141 Ų141147.1 Ų147.166%0.65981%0.805SS**  trans-69.3128.2161.2-167.275.810.400108
296V35.6Very low31.2Very low134 Ų134148.8 Ų148.881%0.81281%0.808SS**  trans-175.693.4139.8170.70000107.5
297Q26.4Very low31.4Very low154 Ų154154.2 Ų154.272%0.7281%0.811SS**  trans-0.9131134.7-156.2167.8-15.200117.8
298L34.6Very low31.9Very low145 Ų145156.8 Ų156.876%0.75982%0.816SS**  trans-168.679.8147.7-102.3161.2000108.5Q300L298-Q300 PolarHBondContact O-N 3.03Å
299D27.6Very low32.3Very low166 Ų166160.6 Ų160.689%0.88882%0.821SS**  trans-76.899.1160.1-69.8-49.7000107
300Q32.5Very low32.8Very low138 Ų138159.8 Ų159.865%0.64582%0.817SS**  trans-141.3101.1170.1-153.6166.67.500111.5L298L298-Q300 PolarHBondContact O-N 3.03Å
301E29.7Very low33.4Very low160 Ų160155.9 Ų155.975%0.74880%0.802SS**  trans66.6119.5131.3-61.5178.1146.900120.9
302C24.4Very low34.6Very low116 Ų116152.4 Ų152.478%0.78480%0.799SS**  79.398.7127.1-150.50000118.4Q304C302-Q304 PolarHBondContact O-N 3.42Å
303G27.8Very low36.7Very low80 Ų80148.9 Ų148.983%0.82577%0.774SS**  64.946.7109.800000117.3
304Q31.3Very low38.7Very low184 Ų184146.8 Ų146.886%0.8676%0.759SS**  trans-102.4116.5162.5-65.2-171.412.200109.3C302 L306C302-Q304 PolarHBondContact O-N 3.42Å; Q304-L306 PolarHBondContact O-N 3.34Å
305G30.8Very low41.2Very low74 Ų74139.2 Ų139.276%0.76374%0.742SS**  trans-40.8130.1-173.400000113.2K307G305-K307 PolarHBondContact O-N 2.95Å
306L33.6Very low43.9Very low176 Ų176137 Ų13792%0.92173%0.729SS**  trans-62.579.9172.2-70.3164.5000108.9Q304 L308Q304-L306 PolarHBondContact O-N 3.34Å; L306-L308 PolarHBondContact O-N 3.12Å
307K34.6Very low46.3Very low187 Ų187135.7 Ų135.781%0.81371%0.714SS**  trans-56109.5155-85.8178175.2170.20104.9G305 K309G305-K307 PolarHBondContact O-N 2.95Å; K307-K309 VanDerWaalsContact C-N 3.3Å; K307-K309 PolarHBondContact O-N 2.65Å
308L37.9Very low49.2Very low173 Ų173128.4 Ų128.491%0.90668%0.68SS**  trans-49.496.7178.7-161.575000107.6L306 K310L306-L308 PolarHBondContact O-N 3.12Å; L308-K310 PolarHBondContact O-N 3.21Å
309K42.4Very low51.1Low196 Ų196126.6 Ų126.685%0.85268%0.679SS**  trans-67.7107-178.6-74.4-179.2178.4174.50104.9K307 D311K307-K309 VanDerWaalsContact C-N 3.3Å; K307-K309 PolarHBondContact O-N 2.65Å; K309-D311 PolarHBondContact O-N 2.87Å
310K47.2Very low53.5Low191 Ų191125.2 Ų125.283%0.8367%0.667SS**  trans-46.8113.7167.6-86.7-177.7173.5-178.60106.8L308 T312L308-K310 PolarHBondContact O-N 3.21Å; K310-T312 PolarHBondContact O-N 3.29Å
311D45.9Very low56Low114 Ų114121.1 Ų121.161%0.6165%0.653SS**  trans-63.3101.6-175.1-156-31.5000107.6K309 S313 R314K309-D311 PolarHBondContact O-N 2.87Å; D311-S313 PolarHBondContact O-N 3.08Å; D311-S313 PolarHBondContact OD1-OG 3Å; D311-R314 PolarHBondContact O-N 3.41Å; D311-R314 VanDerWaalsContact O-N 3.11Å
312T59.1Low58.5Low136 Ų136120.4 Ų120.483%0.83465%0.65SS**THydrogen-bonded Turntrans-62.9-12.9-173.652.70000112.1K310 R314K310-T312 PolarHBondContact O-N 3.29Å; T312-R314 VanDerWaalsContact C-N 3.27Å; T312-R314 PolarHBondContact O-N 3.48Å
313S73.2Confident61.4Low45 Ų45118.3 Ų118.332%0.31563%0.63SS.*THydrogen-bonded Turntrans-70.7-17.6176.872.10000114.1D311 R326D311-S313 PolarHBondContact O-N 3.08Å; D311-S313 PolarHBondContact OD1-OG 3Å; S313-R326 WeakPolarHBondContact O-CG 3.43Å
314R79Confident64.2Low127 Ų127116.9 Ų116.948%0.47961%0.605SS.*  trans-139.770-175.3-67.9178.3163.7-134.25.3112.7D311 T312 Y316 T324 F325 R326D311-R314 PolarHBondContact O-N 3.41Å; D311-R314 VanDerWaalsContact O-N 3.11Å; T312-R314 VanDerWaalsContact C-N 3.27Å; T312-R314 PolarHBondContact O-N 3.48Å; R314-Y316 VanDerWaalsContact C-N 3.27Å; R314-Y316 PolarHBondContact O-N 3.44Å; R314-T324 PolarHBondContact NH1-O 2.87Å; R314-F325 CarbonylContact C-O 3.54Å; R314-F325 WeakPolarHBondContact CA-O 3.37Å; R314-R326 HydrophobicContact CG-CB 4.46Å
315P83.9Confident67Low87 Ų87109.4 Ų109.457%0.56557%0.57SS**  trans-75.1-10.8-172.830-34.9000114.5
316Y84.5Confident69.9Low95 Ų95112.7 Ų112.737%0.37356%0.559SS.*EExtended strand (participates in β ladder)trans-102.4102.4-172.5-58.1-72.4000111.5R314 T324 F325 R326 K328R314-Y316 VanDerWaalsContact C-N 3.27Å; R314-Y316 PolarHBondContact O-N 3.44Å; Y316-T324 CarbonylContact O-C 3.58Å; Y316-T324 WeakPolarHBondContact O-CA 3.38Å; Y316-F325 PolarHBondContact N-O 2.97Å; Y316-F325 PolarHBondContact O-N 2.81Å; Y316-R326 WeakPolarHBondContact CE2-O 3.25Å; Y316-K328 HydrophobicContact CD1-CB 4.28Å; Y316-K328 HydrophobicContact CE1-CB 4.01Å; Y316-K328 HydrophobicContact CE1-CG 4.42Å; Y316-K328 HydrophobicContact CE2-CB 4.37Å
317E85Confident72.4Confident106 Ų106110.7 Ų110.750%0.49554%0.541SS..EExtended strand (participates in β ladder)trans-98.6143-179.6-168.6174.816700111.7T324E317-T324 HydrophobicContact CB-CG2 4.18Å; E317-T324 HydrophobicContact CG-CG2 4.03Å
318C87.4Confident75Confident1 Ų1109.1 Ų109.11%0.00753%0.534CS..  trans-84124.5172.6179.50000110.8E320 C321 E322 I323 F325 L331 H334 H338C318-E320 PolarHBondContact O-N 3.04Å; C318-E320 PolarHBondContact SG-N 2.78Å; C318-C321 PolarHBondContact O-N 3.25Å; C318-C321 VanDerWaalsContact SG-SG 3.6Å; C318-E322 WeakPolarHBondContact O-CA 3.47Å; C318-E322 PolarHBondContact O-N 3.29Å; C318-I323 PolarHBondContact N-O 2.86Å; C318-F325 HydrophobicContact CB-CE2 4.3Å; C318-L331 HydrophobicContact CB-CD1 3.74Å; C318-H334 VanDerWaalsContact SG-CD2 3.57Å; C318-H334 PolarHBondContact SG-NE2 3.12Å; C318-H338 PolarHBondContact SG-NE2 3.21Å
319S75.6Confident77.3Confident107 Ų107108.7 Ų108.775%0.74853%0.527SS*.THydrogen-bonded Turntrans-64.9-22.8178.351.80000114.8
320E78.4Confident79.5Confident137 Ų137103.3 Ų103.364%0.6451%0.505SS*.THydrogen-bonded Turntrans-88-24-176.6-60.2-66.1150.500113.2C318C318-E320 PolarHBondContact O-N 3.04Å; C318-E320 PolarHBondContact SG-N 2.78Å
321C84.9Confident81.4Confident52 Ų5295.4 Ų95.435%0.35147%0.472SS..THydrogen-bonded Turntrans-150.19.2-172.965.20000114.9C318 I323 H334C318-C321 PolarHBondContact O-N 3.25Å; C318-C321 VanDerWaalsContact SG-SG 3.6Å; C321-I323 HydrophobicContact CB-CG1 4.5Å; C321-I323 PolarHBondContact O-N 2.76Å; C321-H334 PolarHBondContact SG-CE1 3.28Å; C321-H334 PolarHBondContact SG-NE2 3.08Å
322E81.3Confident83.2Confident145 Ų14592 Ų9268%0.67846%0.459SS*.  trans59.814173.1-57.6177.9178.700114.9C318 T324C318-E322 WeakPolarHBondContact O-CA 3.47Å; C318-E322 PolarHBondContact O-N 3.29Å; E322-T324 PolarHBondContact O-N 3.2Å
323I85.9Confident84Confident71 Ų7189 Ų8936%0.36444%0.441SS..  trans-69.9124.4175.3-59.9175.9000109.2C318 C321 F325C318-I323 PolarHBondContact N-O 2.86Å; C321-I323 HydrophobicContact CB-CG1 4.5Å; C321-I323 PolarHBondContact O-N 2.76Å; I323-F325 HydrophobicContact CB-CE2 3.92Å; I323-F325 HydrophobicContact CB-CZ 4.03Å; I323-F325 HydrophobicContact CG2-CD2 4.39Å; I323-F325 HydrophobicContact CG2-CE1 4.02Å; I323-F325 HydrophobicContact CG2-CE2 3.66Å; I323-F325 HydrophobicContact CG2-CZ 3.43Å; I323-F325 VanDerWaalsContact CG2-CZ 3.43Å; I323-F325 VanDerWaalsContact O-CD2 3.3Å; I323-F325 WeakPolarHBondContact O-CD2 3.48Å; I323-F325 VanDerWaalsContact O-CE2 3.24Å; I323-F325 WeakPolarHBondContact O-CE2 3.38Å
324T86.4Confident84.6Confident50 Ų5088.1 Ų88.131%0.30743%0.432SS..EExtended strand (participates in β ladder)trans-91.5138.4176.962.30000112.4R314 Y316 E317 E322R314-T324 PolarHBondContact NH1-O 2.87Å; Y316-T324 CarbonylContact O-C 3.58Å; Y316-T324 WeakPolarHBondContact O-CA 3.38Å; E317-T324 HydrophobicContact CB-CG2 4.18Å; E317-T324 HydrophobicContact CG-CG2 4.03Å; E322-T324 PolarHBondContact O-N 3.2Å
325F91.2Very high84.5Confident28 Ų2885.6 Ų85.612%0.12343%0.428CS..EExtended strand (participates in β ladder)trans-124.7147.5-176.1-62.7-83000110.8R314 Y316 C318 I323 Q330 L331 H334R314-F325 CarbonylContact C-O 3.54Å; R314-F325 WeakPolarHBondContact CA-O 3.37Å; Y316-F325 PolarHBondContact N-O 2.97Å; Y316-F325 PolarHBondContact O-N 2.81Å; C318-F325 HydrophobicContact CB-CE2 4.3Å; I323-F325 HydrophobicContact CB-CE2 3.92Å; I323-F325 HydrophobicContact CB-CZ 4.03Å; I323-F325 HydrophobicContact CG2-CD2 4.39Å; I323-F325 HydrophobicContact CG2-CE1 4.02Å; I323-F325 HydrophobicContact CG2-CE2 3.66Å; I323-F325 HydrophobicContact CG2-CZ 3.43Å; I323-F325 VanDerWaalsContact CG2-CZ 3.43Å; I323-F325 VanDerWaalsContact O-CD2 3.3Å; I323-F325 WeakPolarHBondContact O-CD2 3.48Å; I323-F325 VanDerWaalsContact O-CE2 3.24Å; I323-F325 WeakPolarHBondContact O-CE2 3.38Å; F325-Q330 HydrophobicContact CB-CB 4.1Å; F325-Q330 HydrophobicContact CD1-CB 3.59Å; F325-Q330 HydrophobicContact CE1-CB 4.38Å; F325-Q330 HydrophobicContact CG-CB 4.11Å; F325-L331 HydrophobicContact CB-CB 4.38Å; F325-L331 HydrophobicContact CD2-CB 3.87Å; F325-L331 HydrophobicContact CD2-CD1 3.8Å; F325-L331 HydrophobicContact CD2-CG 4.42Å; F325-L331 HydrophobicContact CE2-CD1 3.87Å; F325-L331 HydrophobicContact CG-CB 4.25Å; F325-H334 HydrophobicContact CE1-CB 4.01Å; F325-H334 HydrophobicContact CE2-CB 3.94Å; F325-H334 AromaticContact CE2-CD2 3.51Å; F325-H334 AromaticContact CE2-CG 3.73Å; F325-H334 HydrophobicContact CZ-CB 3.4Å; F325-H334 AromaticContact CZ-CD2 3.57Å; F325-H334 AromaticContact CZ-CG 3.29Å; F325-H334 AromaticContact CZ-ND1 3.86Å
326R89.7Confident84.2Confident142 Ų14288.9 Ų88.954%0.53643%0.429SS..SBendtrans-75.6-33.7177.6-179176.5-107.6-169.6-6.3112.1S313 R314 Y316S313-R326 WeakPolarHBondContact O-CG 3.43Å; R314-R326 HydrophobicContact CG-CB 4.46Å; Y316-R326 WeakPolarHBondContact CE2-O 3.25Å
327Y87.1Confident83.3Confident135 Ų13587.9 Ų87.953%0.52944%0.436SS..SBendtrans-128.9144.2-176.8-55-66.2000112Q329 Q330 L331Y327-Q329 PolarHBondContact O-N 3.18Å; Y327-Q330 WeakPolarHBondContact O-CB 3.47Å; Y327-Q330 PolarHBondContact O-N 3.22Å; Y327-L331 PolarHBondContact O-N 3.3Å
328K88.6Confident82.9Confident153 Ų15385.7 Ų85.767%0.66543%0.425SS*.Hα-helixtrans-57-32.6177.3-167.1176.4-176.8177.40113.4Y316 Q330 L331 A332Y316-K328 HydrophobicContact CD1-CB 4.28Å; Y316-K328 HydrophobicContact CE1-CB 4.01Å; Y316-K328 HydrophobicContact CE1-CG 4.42Å; Y316-K328 HydrophobicContact CE2-CB 4.37Å; K328-Q330 VanDerWaalsContact C-N 3.32Å; K328-Q330 PolarHBondContact O-N 3.09Å; K328-L331 PolarHBondContact O-N 3.07Å; K328-A332 PolarHBondContact O-N 3.44Å
329Q86.4Confident81.5Confident165 Ų16589.9 Ų89.977%0.77146%0.455SS*.Hα-helixtrans-62.2-36.9175.4-92.5176.8-14.300112.8Y327 A332 T333Y327-Q329 PolarHBondContact O-N 3.18Å; Q329-A332 PolarHBondContact O-N 3.05Å; Q329-T333 WeakPolarHBondContact O-CG2 3.43Å; Q329-T333 PolarHBondContact O-N 3.39Å; Q329-T333 PolarHBondContact O-OG1 3.49Å
330Q89.4Confident80Confident82 Ų8287.9 Ų87.938%0.38345%0.451SS..Hα-helixtrans-69.7-41.8178.2-65.6177.9-23.900111.1F325 Y327 K328 A332 T333 H334F325-Q330 HydrophobicContact CB-CB 4.1Å; F325-Q330 HydrophobicContact CD1-CB 3.59Å; F325-Q330 HydrophobicContact CE1-CB 4.38Å; F325-Q330 HydrophobicContact CG-CB 4.11Å; Y327-Q330 WeakPolarHBondContact O-CB 3.47Å; Y327-Q330 PolarHBondContact O-N 3.22Å; K328-Q330 VanDerWaalsContact C-N 3.32Å; K328-Q330 PolarHBondContact O-N 3.09Å; Q330-A332 VanDerWaalsContact C-N 3.35Å; Q330-A332 PolarHBondContact O-N 3.47Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.35Å; Q330-T333 PolarHBondContact O-N 3.27Å; Q330-T333 PolarHBondContact O-OG1 3.48Å; Q330-H334 VanDerWaalsContact O-CB 3.3Å; Q330-H334 WeakPolarHBondContact O-CB 3.47Å; Q330-H334 PolarHBondContact O-N 3.32Å
331L87.2Confident77.8Confident25 Ų2592.3 Ų92.313%0.13146%0.462CS..Hα-helixtrans-60-45.2172176.961.1000110.8C318 F325 Y327 K328 T333 H334 L335C318-L331 HydrophobicContact CB-CD1 3.74Å; F325-L331 HydrophobicContact CB-CB 4.38Å; F325-L331 HydrophobicContact CD2-CB 3.87Å; F325-L331 HydrophobicContact CD2-CD1 3.8Å; F325-L331 HydrophobicContact CD2-CG 4.42Å; F325-L331 HydrophobicContact CE2-CD1 3.87Å; F325-L331 HydrophobicContact CG-CB 4.25Å; Y327-L331 PolarHBondContact O-N 3.3Å; K328-L331 PolarHBondContact O-N 3.07Å; L331-T333 PolarHBondContact O-N 3.23Å; L331-H334 CarbonylContact O-C 3.59Å; L331-H334 WeakPolarHBondContact O-CA 3.44Å; L331-H334 WeakPolarHBondContact O-CB 3.26Å; L331-H334 PolarHBondContact O-N 3.44Å; L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 HydrophobicContact CD1-CD2 4.31Å; L331-L335 HydrophobicContact CD1-CG 4.05Å; L331-L335 HydrophobicContact CG-CD1 4.15Å; L331-L335 HydrophobicContact CG-CG 4.28Å; L331-L335 WeakPolarHBondContact O-CG 3.47Å; L331-L335 PolarHBondContact O-N 3.48Å
332A82.2Confident75Confident42 Ų4293.8 Ų93.835%0.34749%0.486SS..Hα-helixtrans-64.2-37.7178.700000113.3K328 Q329 Q330 H334 R336K328-A332 PolarHBondContact O-N 3.44Å; Q329-A332 PolarHBondContact O-N 3.05Å; Q330-A332 VanDerWaalsContact C-N 3.35Å; Q330-A332 PolarHBondContact O-N 3.47Å; A332-H334 VanDerWaalsContact C-N 3.29Å; A332-R336 PolarHBondContact O-N 3.19Å; A332-R336 PolarHBondContact O-NH1 3.5Å
333T77.2Confident72.3Confident74 Ų7491.6 Ų91.645%0.45449%0.487SS..Hα-helixtrans-64.5-36.7171.148.10000112Q329 Q330 L331Q329-T333 WeakPolarHBondContact O-CG2 3.43Å; Q329-T333 PolarHBondContact O-N 3.39Å; Q329-T333 PolarHBondContact O-OG1 3.49Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.35Å; Q330-T333 PolarHBondContact O-N 3.27Å; Q330-T333 PolarHBondContact O-OG1 3.48Å; L331-T333 PolarHBondContact O-N 3.23Å
334H85.6Confident69.2Low27 Ų2794.1 Ų94.113%0.12551%0.509CS..Hα-helixtrans-73.4-39179.2169.370.6000112.4C318 C321 F325 Q330 L331 A332 R336 S337 H338C318-H334 VanDerWaalsContact SG-CD2 3.57Å; C318-H334 PolarHBondContact SG-NE2 3.12Å; C321-H334 PolarHBondContact SG-CE1 3.28Å; C321-H334 PolarHBondContact SG-NE2 3.08Å; F325-H334 HydrophobicContact CE1-CB 4.01Å; F325-H334 HydrophobicContact CE2-CB 3.94Å; F325-H334 AromaticContact CE2-CD2 3.51Å; F325-H334 AromaticContact CE2-CG 3.73Å; F325-H334 HydrophobicContact CZ-CB 3.4Å; F325-H334 AromaticContact CZ-CD2 3.57Å; F325-H334 AromaticContact CZ-CG 3.29Å; F325-H334 AromaticContact CZ-ND1 3.86Å; Q330-H334 VanDerWaalsContact O-CB 3.3Å; Q330-H334 WeakPolarHBondContact O-CB 3.47Å; Q330-H334 PolarHBondContact O-N 3.32Å; L331-H334 CarbonylContact O-C 3.59Å; L331-H334 WeakPolarHBondContact O-CA 3.44Å; L331-H334 WeakPolarHBondContact O-CB 3.26Å; L331-H334 PolarHBondContact O-N 3.44Å; A332-H334 VanDerWaalsContact C-N 3.29Å; H334-R336 PolarHBondContact O-N 3.25Å; H334-S337 WeakPolarHBondContact O-CA 3.41Å; H334-S337 VanDerWaalsContact O-CB 3.3Å; H334-S337 WeakPolarHBondContact O-CB 3.35Å; H334-S337 PolarHBondContact O-N 3.07Å; H334-S337 PolarHBondContact O-OG 3.49Å; H334-H338 AromaticContact CD2-NE2 3.86Å; H334-H338 AromaticContact CE1-NE2 3.53Å; H334-H338 AromaticContact NE2-CD2 3.87Å; H334-H338 AromaticContact NE2-CE1 3.96Å; H334-H338 AromaticContact NE2-NE2 3.05Å; H334-H338 PolarHBondContact NE2-NE2 2.93Å
335L77.6Confident66.3Low74 Ų7498.5 Ų98.539%0.38754%0.536SS..Hα-helixtrans-61-29.5174.7-69.5174.8000112.3L331 S337 H338 S339L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 HydrophobicContact CD1-CD2 4.31Å; L331-L335 HydrophobicContact CD1-CG 4.05Å; L331-L335 HydrophobicContact CG-CD1 4.15Å; L331-L335 HydrophobicContact CG-CG 4.28Å; L331-L335 WeakPolarHBondContact O-CG 3.47Å; L331-L335 PolarHBondContact O-N 3.48Å; L335-S337 PolarHBondContact O-N 2.99Å; L335-H338 WeakPolarHBondContact O-CB 3.45Å; L335-H338 PolarHBondContact O-N 3.44Å; L335-H338 VanDerWaalsContact O-N 3.08Å; L335-S339 PolarHBondContact O-N 3Å
336R77Confident63.2Low155 Ų155102.7 Ų102.759%0.58557%0.566SS**Hα-helixtrans-67.4-17.6171.1-68.6-169.8-64.5-91.813114.1A332 H334 S339A332-R336 PolarHBondContact O-N 3.19Å; A332-R336 PolarHBondContact O-NH1 3.5Å; H334-R336 PolarHBondContact O-N 3.25Å; R336-S339 VanDerWaalsContact CA-OG 3.32Å; R336-S339 WeakPolarHBondContact CA-OG 3.32Å; R336-S339 PolarHBondContact O-OG 3.37Å
337S66.4Low60Low75 Ų75104.9 Ų104.952%0.52458%0.583SS.*Hα-helixtrans-78.2-25.8171.473.10000112.3H334 L335H334-S337 WeakPolarHBondContact O-CA 3.41Å; H334-S337 VanDerWaalsContact O-CB 3.3Å; H334-S337 WeakPolarHBondContact O-CB 3.35Å; H334-S337 PolarHBondContact O-N 3.07Å; H334-S337 PolarHBondContact O-OG 3.49Å; L335-S337 PolarHBondContact O-N 2.99Å
338H74.8Confident57Low59 Ų59107.5 Ų107.527%0.27360%0.6SS.*Hα-helixtrans-74.1-34.6169.9-64-56.2000111.9C318 H334 L335 G340 W341C318-H338 PolarHBondContact SG-NE2 3.21Å; H334-H338 AromaticContact CD2-NE2 3.86Å; H334-H338 AromaticContact CE1-NE2 3.53Å; H334-H338 AromaticContact NE2-CD2 3.87Å; H334-H338 AromaticContact NE2-CE1 3.96Å; H334-H338 AromaticContact NE2-NE2 3.05Å; H334-H338 PolarHBondContact NE2-NE2 2.93Å; L335-H338 WeakPolarHBondContact O-CB 3.45Å; L335-H338 PolarHBondContact O-N 3.44Å; L335-H338 VanDerWaalsContact O-N 3.08Å; H338-G340 PolarHBondContact O-N 3.35Å; H338-W341 PolarHBondContact O-N 2.94Å
339S58.5Low54Low90 Ų90105 Ų10563%0.62960%0.599SS**THydrogen-bonded Turntrans-67.613.3175.268.60000114.7L335 R336 W341L335-S339 PolarHBondContact O-N 3Å; R336-S339 VanDerWaalsContact CA-OG 3.32Å; R336-S339 WeakPolarHBondContact CA-OG 3.32Å; R336-S339 PolarHBondContact O-OG 3.37Å; S339-W341 PolarHBondContact O-N 3.32Å
340G44Very low51.2Low64 Ų64105.1 Ų105.166%0.6660%0.6SS**THydrogen-bonded Turntrans-74.7-4.5164.300000113.7H338H338-G340 PolarHBondContact O-N 3.35Å
341W31.6Very low48.1Very low230 Ų230109.7 Ų109.787%0.87162%0.621SS**SBendtrans-113.8110.6-176.9-76.455000110H338 S339 S343H338-W341 PolarHBondContact O-N 2.94Å; S339-W341 PolarHBondContact O-N 3.32Å; W341-S343 PolarHBondContact O-N 3.4Å
342G26.3Very low45.3Very low84 Ų84113.7 Ų113.787%0.86665%0.651SS**  trans-64.4121.5167.300000109.8
343S24.2Very low42.6Very low99 Ų99120 Ų12069%0.69268%0.678SS**  trans-147.2103.4152710000106.8W341W341-S343 PolarHBondContact O-N 3.4Å
344C21.7Very low40.2Very low124 Ų124127.5 Ų127.584%0.83870%0.698SS**  74.198.8103-67.70000112.2
345T25.8Very low37.5Very low141 Ų141131.7 Ų131.787%0.86573%0.728SS**  trans-138.1139.9137.151.20000109.8
346P26.7Very low35Very low117 Ų117139.6 Ų139.676%0.7675%0.752SS**  trans-87.7144.2-169.33.618.5000111.6
347E20.9Very low32.7Very low188 Ų188138.1 Ų138.188%0.87976%0.762SS**  trans10.5109144.2-53.1-85.9106.600116.3
348E25.4Very low30.9Very low190 Ų190145.9 Ų145.989%0.88878%0.78SS**  trans-138.6140.9146.3-96-97.3119.300107.9
349P25.7Very low28.6Very low100 Ų100151.3 Ų151.365%0.64981%0.811SS**  trans-106.1160.8-160.136-21.7000113.4
350E26Very low27.2Very low168 Ų168155.9 Ų155.979%0.78582%0.819SS**  trans81.4113.1152.4-57.9-100.3106.200119.5
351E24.4Very low26.4Very low178 Ų178158.1 Ų158.183%0.83282%0.822SS**  trans45.391.8139.8-71-172.1128.600119.5
352S28.9Very low26.5Very low108 Ų108156 Ų15676%0.75582%0.822SS**  trans-140.899.9152.1-173.10000110.9R354S352-R354 PolarHBondContact O-N 3.34Å
353L24.9Very low27.1Very low176 Ų176158 Ų15892%0.92182%0.817SS**  trans-34.8105.2171.1-64.5159.1000114.2
354R27.1Very low27.8Very low231 Ų231162.5 Ų162.587%0.87282%0.824SS**  trans-145.5152.6158-78.7-157.9-151.1-100.3-0.5112.1S352S352-R354 PolarHBondContact O-N 3.34Å
355P29.7Very low28.8Very low115 Ų115166.1 Ų166.175%0.74783%0.826SS**  -90.3154.3-126.733.6-36.3000113.9
356R24.7Very low29.9Very low240 Ų240163.2 Ų163.291%0.90682%0.816SS**  trans-35121.3178.3-81.3-179.9171-138.9-1.2112.7R358R356-R358 PolarHBondContact O-N 3.47Å
357P30Very low31.1Very low123 Ų123167 Ų16780%0.79982%0.821SS**  trans-59.5123.9173.3-18.429.6000109.2L359P357-L359 PolarHBondContact O-N 3.41Å; P357-L359 VanDerWaalsContact O-N 3.11Å
358R26.7Very low33.8Very low238 Ų238162.6 Ų162.690%0.89880%0.803SS**  trans-46.4122.5164.6-87.5-177.6173.2-160.9-1.6107.8R356 K360R356-R358 PolarHBondContact O-N 3.47Å; R358-K360 VanDerWaalsContact C-N 3.28Å; R358-K360 PolarHBondContact O-N 2.98Å
359L26.5Very low36.4Very low174 Ų174156.7 Ų156.791%0.91178%0.775SS**  trans-51.595.9169.6-76157.8000107.6P357P357-L359 PolarHBondContact O-N 3.41Å; P357-L359 VanDerWaalsContact O-N 3.11Å
360K29.2Very low39Very low186 Ų186156.4 Ų156.481%0.80977%0.765SS**  trans-61.2136.3167.5-75.3-178.2179.9176.30105.7R358 Q362R358-K360 VanDerWaalsContact C-N 3.28Å; R358-K360 PolarHBondContact O-N 2.98Å; K360-Q362 PolarHBondContact O-N 3.29Å
361P28.9Very low41.6Very low111 Ų111148.4 Ų148.472%0.72173%0.727SS**  trans-49.6132.4-178.3-19.829.1000107.3T363P361-T363 PolarHBondContact O-N 2.96Å
362Q32.3Very low44.1Very low186 Ų186146.2 Ų146.287%0.86972%0.721SS**  trans-60.290.6172-66.8-151.9-200107.1K360 K364K360-Q362 PolarHBondContact O-N 3.29Å; Q362-K364 PolarHBondContact O-N 3.32Å
363T38.7Very low46.5Very low125 Ų125146.1 Ų146.177%0.76772%0.716SS**  trans-63.594.7160.752.90000102.2P361 K365P361-T363 PolarHBondContact O-N 2.96Å; T363-K365 PolarHBondContact O-N 3.06Å
364K40Very low49.2Very low194 Ų194140.4 Ų140.484%0.84369%0.69SS**  trans-36.5109.4177.4-66.7176.9178.5179.20105.5Q362 A366Q362-K364 PolarHBondContact O-N 3.32Å; K364-A366 PolarHBondContact O-N 3.13Å
365K41.5Very low51.4Low200 Ų200134.8 Ų134.887%0.8768%0.677SS**  trans-47.1111.8-177.1-79.6175.9176.1175.50105T363 K367T363-K365 PolarHBondContact O-N 3.06Å; K365-K367 PolarHBondContact O-N 3.28Å
366A49.9Very low53.8Low80 Ų80137.2 Ų137.266%0.66167%0.671SS**  trans-52.5119.9-179.500000105.3K364 L368K364-A366 PolarHBondContact O-N 3.13Å; A366-L368 VanDerWaalsContact C-N 3.29Å; A366-L368 HydrophobicContact CB-CD1 4.47Å; A366-L368 WeakPolarHBondContact O-CD1 3.17Å; A366-L368 PolarHBondContact O-N 3.4Å
367K51.5Low56.1Low197 Ų197128.8 Ų128.886%0.85765%0.649SS**  trans-6795.5-175.3-168.1173.8-175.3177.50106.2K365K365-K367 PolarHBondContact O-N 3.28Å
368L77.5Confident58.5Low95 Ų95124.6 Ų124.650%0.49762%0.618SS.*  trans-66.1148.3174.5-90.371.8000108.5A366 S377 F378A366-L368 VanDerWaalsContact C-N 3.29Å; A366-L368 HydrophobicContact CB-CD1 4.47Å; A366-L368 WeakPolarHBondContact O-CD1 3.17Å; A366-L368 PolarHBondContact O-N 3.4Å; L368-S377 VanDerWaalsContact CD2-CB 3.42Å; L368-F378 WeakPolarHBondContact CA-O 3.48Å
369H79.5Confident60.6Low65 Ų65118.8 Ų118.830%0.30161%0.614SS.*EExtended strand (participates in β ladder)trans-91.6109.3175.8-64.2-75.4000108F378 K381 L384H369-F378 HydrophobicContact CB-CB 4.31Å; H369-F378 PolarHBondContact N-O 3.24Å; H369-F378 WeakPolarHBondContact O-CB 2.98Å; H369-F378 WeakPolarHBondContact O-CD2 3.19Å; H369-F378 PolarHBondContact O-N 3.33Å; H369-K381 PolarHBondContact CD2-N 3.5Å; H369-K381 PolarHBondContact NE2-N 2.83Å; H369-L384 HydrophobicContact CB-CB 3.85Å; H369-L384 HydrophobicContact CB-CD2 3.7Å; H369-L384 HydrophobicContact CB-CG 4.34Å
370Q80.1Confident62.5Low94 Ų94113.2 Ų113.244%0.43959%0.589SS.*EExtended strand (participates in β ladder)trans-94142.5-178.7-164.9168.616.200110.3L375 R376 L384Q370-L375 WeakPolarHBondContact CG-O 3.45Å; Q370-L375 PolarHBondContact NE2-O 2.98Å; Q370-R376 CarbonylContact C-O 3.35Å; Q370-R376 WeakPolarHBondContact CA-O 3.36Å; Q370-L384 WeakPolarHBondContact O-CD2 3.49Å
371C82.1Confident64.8Low0 Ų0111 Ų1110%058%0.58CS.*  trans-82.6127.1170177.90000110.2V373 L375 R376 F378 L384 H387 H391C371-V373 VanDerWaalsContact C-N 3.25Å; C371-V373 PolarHBondContact O-N 2.88Å; C371-L375 WeakPolarHBondContact O-CA 3.49Å; C371-L375 PolarHBondContact O-N 3.33Å; C371-R376 PolarHBondContact N-O 2.77Å; C371-F378 HydrophobicContact CB-CE2 4.23Å; C371-L384 VanDerWaalsContact CA-CD1 3.48Å; C371-L384 HydrophobicContact CB-CD1 3.63Å; C371-H387 VanDerWaalsContact CB-CD2 3.45Å; C371-H387 WeakPolarHBondContact CB-CD2 3.41Å; C371-H387 WeakPolarHBondContact CB-NE2 3.1Å; C371-H387 VanDerWaalsContact SG-CD2 3.51Å; C371-H387 PolarHBondContact SG-NE2 3.29Å; C371-H391 PolarHBondContact SG-NE2 3.44Å
372D77.2Confident67Low132 Ų132110.5 Ų110.571%0.70657%0.574SS**THydrogen-bonded Turntrans-71.8-20.9-176.9-51.6-40.5000113.1
373V77.5Confident68.9Low106 Ų106103 Ų10364%0.64254%0.542SS*.THydrogen-bonded Turntrans-83-46.5-178.7-176.50000111.8C371C371-V373 VanDerWaalsContact C-N 3.25Å; C371-V373 PolarHBondContact O-N 2.88Å
374C83.2Confident70.8Confident56 Ų5697.9 Ų97.938%0.37851%0.51SS..THydrogen-bonded Turntrans-117.99-176.481.50000114.2R376 H387C374-R376 PolarHBondContact O-N 2.86Å; C374-R376 WeakPolarHBondContact SG-CB 3.5Å; C374-H387 PolarHBondContact SG-CE1 3.48Å; C374-H387 PolarHBondContact SG-NE2 3.21Å
375L73.6Confident72.4Confident113 Ų11391.1 Ų91.159%0.59249%0.485SS*.  trans5521.5177.3-58.7-177.4000115.4Q370 C371Q370-L375 WeakPolarHBondContact CG-O 3.45Å; Q370-L375 PolarHBondContact NE2-O 2.98Å; C371-L375 WeakPolarHBondContact O-CA 3.49Å; C371-L375 PolarHBondContact O-N 3.33Å
376R78.2Confident73.5Confident167 Ų16784.8 Ų84.863%0.6346%0.463SS*.  trans-83.8133.6-177.7-157.8167.7-175.6159.8-0.1110.1Q370 C371 C374 F378Q370-R376 CarbonylContact C-O 3.35Å; Q370-R376 WeakPolarHBondContact CA-O 3.36Å; C371-R376 PolarHBondContact N-O 2.77Å; C374-R376 PolarHBondContact O-N 2.86Å; C374-R376 WeakPolarHBondContact SG-CB 3.5Å; R376-F378 HydrophobicContact CB-CE2 3.97Å; R376-F378 HydrophobicContact CB-CZ 4.28Å; R376-F378 HydrophobicContact CG-CE2 4.32Å; R376-F378 HydrophobicContact CG-CZ 4.23Å; R376-F378 VanDerWaalsContact O-CD2 3.26Å; R376-F378 WeakPolarHBondContact O-CD2 3.41Å; R376-F378 VanDerWaalsContact O-CE2 3.25Å; R376-F378 WeakPolarHBondContact O-CE2 3.5Å
377S74Confident74.9Confident63 Ų6382.5 Ų82.544%0.44144%0.438SS..EExtended strand (participates in β ladder)trans-98.8135-173.7-52.90000111.8L368L368-S377 VanDerWaalsContact CD2-CB 3.42Å
378F79.9Confident75.8Confident35 Ų3576 Ų7615%0.15441%0.411CS..EExtended strand (participates in β ladder)trans-122.1144.6-174-66.4-87.4000111.2L368 H369 C371 R376 S383 L384 H387L368-F378 WeakPolarHBondContact CA-O 3.48Å; H369-F378 HydrophobicContact CB-CB 4.31Å; H369-F378 PolarHBondContact N-O 3.24Å; H369-F378 WeakPolarHBondContact O-CB 2.98Å; H369-F378 WeakPolarHBondContact O-CD2 3.19Å; H369-F378 PolarHBondContact O-N 3.33Å; C371-F378 HydrophobicContact CB-CE2 4.23Å; R376-F378 HydrophobicContact CB-CE2 3.97Å; R376-F378 HydrophobicContact CB-CZ 4.28Å; R376-F378 HydrophobicContact CG-CE2 4.32Å; R376-F378 HydrophobicContact CG-CZ 4.23Å; R376-F378 VanDerWaalsContact O-CD2 3.26Å; R376-F378 WeakPolarHBondContact O-CD2 3.41Å; R376-F378 VanDerWaalsContact O-CE2 3.25Å; R376-F378 WeakPolarHBondContact O-CE2 3.5Å; F378-S383 WeakPolarHBondContact CB-OG 3.45Å; F378-L384 HydrophobicContact CB-CB 4.2Å; F378-L384 HydrophobicContact CD2-CB 4.05Å; F378-L384 HydrophobicContact CD2-CD1 3.79Å; F378-L384 HydrophobicContact CE2-CD1 4.06Å; F378-L384 HydrophobicContact CG-CB 4.22Å; F378-H387 HydrophobicContact CE1-CB 3.8Å; F378-H387 HydrophobicContact CE2-CB 3.89Å; F378-H387 AromaticContact CE2-CD2 3.47Å; F378-H387 VanDerWaalsContact CE2-CD2 3.47Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.48Å; F378-H387 AromaticContact CE2-CG 3.64Å; F378-H387 HydrophobicContact CZ-CB 3.33Å; F378-H387 AromaticContact CZ-CD2 3.54Å; F378-H387 AromaticContact CZ-CG 3.19Å; F378-H387 AromaticContact CZ-ND1 3.76Å
379S72.2Confident75.2Confident115 Ų11577.7 Ų77.780%0.80441%0.411SS*.SBendtrans-77.7-19.2179.656.50000113.6
380C66.1Low74.4Confident57 Ų5778.3 Ų78.339%0.38542%0.422SS..SBendtrans-140146.917778.10000112.7V382 S383 L384C380-V382 VanDerWaalsContact C-N 3.26Å; C380-V382 PolarHBondContact O-N 3.16Å; C380-S383 PolarHBondContact O-N 2.98Å; C380-S383 VanDerWaalsContact O-N 3.12Å; C380-S383 PolarHBondContact O-OG 2.99Å; C380-S383 VanDerWaalsContact SG-CB 3.53Å; C380-S383 PolarHBondContact SG-N 3.39Å; C380-S383 VanDerWaalsContact SG-N 3.35Å; C380-S383 PolarHBondContact SG-OG 3.44Å; C380-L384 PolarHBondContact O-N 3.38Å
381K77.4Confident74Confident141 Ų14176.5 Ų76.561%0.61341%0.413SS*.Hα-helixtrans-57.6-37.3-180-171.4177178.3-178.20112.7H369 S383 L384 V385H369-K381 PolarHBondContact CD2-N 3.5Å; H369-K381 PolarHBondContact NE2-N 2.83Å; K381-S383 VanDerWaalsContact C-N 3.33Å; K381-S383 PolarHBondContact O-N 3.24Å; K381-L384 PolarHBondContact O-N 3.21Å; K381-V385 HydrophobicContact CG-CG2 4.44Å; K381-V385 WeakPolarHBondContact O-CG2 3.46Å; K381-V385 PolarHBondContact O-N 3.15Å
382V73.7Confident72.6Confident99 Ų9983.5 Ų83.560%0.645%0.45SS*.Hα-helixtrans-60.2-44.6177.7179.90000110.7C380 L384 V385 T386C380-V382 VanDerWaalsContact C-N 3.26Å; C380-V382 PolarHBondContact O-N 3.16Å; V382-L384 PolarHBondContact O-N 3.02Å; V382-V385 PolarHBondContact O-N 3.49Å; V382-T386 PolarHBondContact O-N 3.46Å; V382-T386 PolarHBondContact O-OG1 3.43Å
383S74.1Confident71Confident30 Ų3085.3 Ų85.321%0.2145%0.454CS..Hα-helixtrans-66.4-35.5178.363.30000113.2F378 C380 K381 T386 H387F378-S383 WeakPolarHBondContact CB-OG 3.45Å; C380-S383 PolarHBondContact O-N 2.98Å; C380-S383 VanDerWaalsContact O-N 3.12Å; C380-S383 PolarHBondContact O-OG 2.99Å; C380-S383 VanDerWaalsContact SG-CB 3.53Å; C380-S383 PolarHBondContact SG-N 3.39Å; C380-S383 VanDerWaalsContact SG-N 3.35Å; C380-S383 PolarHBondContact SG-OG 3.44Å; K381-S383 VanDerWaalsContact C-N 3.33Å; K381-S383 PolarHBondContact O-N 3.24Å; S383-T386 VanDerWaalsContact CA-OG1 3.26Å; S383-T386 WeakPolarHBondContact CA-OG1 3.02Å; S383-T386 PolarHBondContact O-OG1 3.26Å; S383-H387 WeakPolarHBondContact O-CB 3.45Å; S383-H387 PolarHBondContact O-N 3.34Å
384L76.9Confident69.2Low17 Ų1787 Ų879%0.08946%0.455CS..Hα-helixtrans-63-49.3171.6170.763.6000111.1H369 Q370 C371 F378 C380 K381 V382 T386 H387 Q388H369-L384 HydrophobicContact CB-CB 3.85Å; H369-L384 HydrophobicContact CB-CD2 3.7Å; H369-L384 HydrophobicContact CB-CG 4.34Å; Q370-L384 WeakPolarHBondContact O-CD2 3.49Å; C371-L384 VanDerWaalsContact CA-CD1 3.48Å; C371-L384 HydrophobicContact CB-CD1 3.63Å; F378-L384 HydrophobicContact CB-CB 4.2Å; F378-L384 HydrophobicContact CD2-CB 4.05Å; F378-L384 HydrophobicContact CD2-CD1 3.79Å; F378-L384 HydrophobicContact CE2-CD1 4.06Å; F378-L384 HydrophobicContact CG-CB 4.22Å; C380-L384 PolarHBondContact O-N 3.38Å; K381-L384 PolarHBondContact O-N 3.21Å; V382-L384 PolarHBondContact O-N 3.02Å; L384-T386 VanDerWaalsContact C-N 3.34Å; L384-T386 PolarHBondContact O-N 3.23Å; L384-H387 CarbonylContact O-C 3.58Å; L384-H387 WeakPolarHBondContact O-CA 3.41Å; L384-H387 WeakPolarHBondContact O-CB 3.49Å; L384-H387 PolarHBondContact O-N 3.35Å; L384-H387 VanDerWaalsContact O-N 3.08Å; L384-Q388 HydrophobicContact CD1-CG 3.95Å; L384-Q388 HydrophobicContact CG-CG 4.32Å; L384-Q388 WeakPolarHBondContact O-CG 3.38Å; L384-Q388 PolarHBondContact O-N 3.18Å
385V73.3Confident66.7Low51 Ų5186.8 Ų86.831%0.30946%0.462SS..Hα-helixtrans-62.6-42.3-178.4172.50000110.8K381 V382 H387 Q388 R389K381-V385 HydrophobicContact CG-CG2 4.44Å; K381-V385 WeakPolarHBondContact O-CG2 3.46Å; K381-V385 PolarHBondContact O-N 3.15Å; V382-V385 PolarHBondContact O-N 3.49Å; V385-H387 VanDerWaalsContact C-N 3.29Å; V385-H387 PolarHBondContact O-N 2.93Å; V385-Q388 PolarHBondContact O-N 3.03Å; V385-R389 WeakPolarHBondContact O-CG 3.47Å; V385-R389 PolarHBondContact O-N 2.99Å
386T64.7Low65Low68 Ų6887.8 Ų87.842%0.41748%0.476SS..Hα-helixtrans-63-35.7173.544.80000112.7V382 S383 L384 R389V382-T386 PolarHBondContact O-N 3.46Å; V382-T386 PolarHBondContact O-OG1 3.43Å; S383-T386 VanDerWaalsContact CA-OG1 3.26Å; S383-T386 WeakPolarHBondContact CA-OG1 3.02Å; S383-T386 PolarHBondContact O-OG1 3.26Å; L384-T386 VanDerWaalsContact C-N 3.34Å; L384-T386 PolarHBondContact O-N 3.23Å; T386-R389 PolarHBondContact O-N 3.5Å
387H79.9Confident62.9Low31 Ų3185.7 Ų85.714%0.14449%0.486CS..Hα-helixtrans-70.1-40.2174.4166.372.2000112C371 C374 F378 S383 L384 V385 R389 C390 H391C371-H387 VanDerWaalsContact CB-CD2 3.45Å; C371-H387 WeakPolarHBondContact CB-CD2 3.41Å; C371-H387 WeakPolarHBondContact CB-NE2 3.1Å; C371-H387 VanDerWaalsContact SG-CD2 3.51Å; C371-H387 PolarHBondContact SG-NE2 3.29Å; C374-H387 PolarHBondContact SG-CE1 3.48Å; C374-H387 PolarHBondContact SG-NE2 3.21Å; F378-H387 HydrophobicContact CE1-CB 3.8Å; F378-H387 HydrophobicContact CE2-CB 3.89Å; F378-H387 AromaticContact CE2-CD2 3.47Å; F378-H387 VanDerWaalsContact CE2-CD2 3.47Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.48Å; F378-H387 AromaticContact CE2-CG 3.64Å; F378-H387 HydrophobicContact CZ-CB 3.33Å; F378-H387 AromaticContact CZ-CD2 3.54Å; F378-H387 AromaticContact CZ-CG 3.19Å; F378-H387 AromaticContact CZ-ND1 3.76Å; S383-H387 WeakPolarHBondContact O-CB 3.45Å; S383-H387 PolarHBondContact O-N 3.34Å; L384-H387 CarbonylContact O-C 3.58Å; L384-H387 WeakPolarHBondContact O-CA 3.41Å; L384-H387 WeakPolarHBondContact O-CB 3.49Å; L384-H387 PolarHBondContact O-N 3.35Å; L384-H387 VanDerWaalsContact O-N 3.08Å; V385-H387 VanDerWaalsContact C-N 3.29Å; V385-H387 PolarHBondContact O-N 2.93Å; H387-R389 PolarHBondContact O-N 2.86Å; H387-C390 WeakPolarHBondContact O-CB 3.45Å; H387-C390 PolarHBondContact O-N 3.35Å; H387-H391 AromaticContact CD2-NE2 3.99Å; H387-H391 AromaticContact CE1-NE2 3.57Å; H387-H391 AromaticContact NE2-CD2 3.97Å; H387-H391 AromaticContact NE2-NE2 3.13Å; H387-H391 PolarHBondContact NE2-NE2 3.31Å; H387-H391 VanDerWaalsContact NE2-NE2 3.13Å
388Q70.9Confident60.8Low61 Ų6187.1 Ų87.129%0.28550%0.502SS..Hα-helixtrans-61.9-31.5175.6-75.8173.2-32.100112.2L384 V385 C390 H391 L392L384-Q388 HydrophobicContact CD1-CG 3.95Å; L384-Q388 HydrophobicContact CG-CG 4.32Å; L384-Q388 WeakPolarHBondContact O-CG 3.38Å; L384-Q388 PolarHBondContact O-N 3.18Å; V385-Q388 PolarHBondContact O-N 3.03Å; Q388-C390 PolarHBondContact O-N 2.84Å; Q388-H391 WeakPolarHBondContact O-CB 3.41Å; Q388-H391 PolarHBondContact O-N 2.99Å; Q388-L392 WeakPolarHBondContact O-CD1 3.4Å; Q388-L392 PolarHBondContact O-N 3.14Å
389R65.2Low58.3Low130 Ų13088.7 Ų88.749%0.49153%0.528SS..Hα-helixtrans-64-22.8172.2-69.1174.3-172.8174.90.5113.2V385 T386 H387 H391 L392 E452V385-R389 WeakPolarHBondContact O-CG 3.47Å; V385-R389 PolarHBondContact O-N 2.99Å; T386-R389 PolarHBondContact O-N 3.5Å; H387-R389 PolarHBondContact O-N 2.86Å; R389-H391 VanDerWaalsContact C-N 3.25Å; R389-H391 PolarHBondContact O-N 3.12Å; R389-L392 PolarHBondContact O-N 3.33Å; R389-E452 IonicContact CZ-OE1 3.73Å; R389-E452 IonicContact NH1-OE1 3.01Å; R389-E452 PolarHBondContact NH1-OE1 3.29Å; R389-E452 IonicContact NH2-OE1 3.45Å; R389-E452 PolarHBondContact NH2-OE1 2.95Å
390C61.8Low56.1Low78 Ų7892.5 Ų92.553%0.52753%0.533SS..Hα-helixtrans-68.9-26171.3-57.30000111.9H387 Q388H387-C390 WeakPolarHBondContact O-CB 3.45Å; H387-C390 PolarHBondContact O-N 3.35Å; Q388-C390 PolarHBondContact O-N 2.84Å
391H72.5Confident54.4Low56 Ų5696.7 Ų96.726%0.25955%0.547SS..Hα-helixtrans-79.3-27.1174.2-61.1-61.5000112.4C371 H387 Q388 R389 Q393 E394C371-H391 PolarHBondContact SG-NE2 3.44Å; H387-H391 AromaticContact CD2-NE2 3.99Å; H387-H391 AromaticContact CE1-NE2 3.57Å; H387-H391 AromaticContact NE2-CD2 3.97Å; H387-H391 AromaticContact NE2-NE2 3.13Å; H387-H391 PolarHBondContact NE2-NE2 3.31Å; H387-H391 VanDerWaalsContact NE2-NE2 3.13Å; Q388-H391 WeakPolarHBondContact O-CB 3.41Å; Q388-H391 PolarHBondContact O-N 2.99Å; R389-H391 VanDerWaalsContact C-N 3.25Å; R389-H391 PolarHBondContact O-N 3.12Å; H391-Q393 PolarHBondContact O-N 3.37Å; H391-E394 PolarHBondContact O-N 3.11Å
392L51.5Low51.9Low148 Ų14895.5 Ų95.578%0.77555%0.551SS**Hα-helixtrans-72-18.1177-91.486.8000113.4Q388 R389 E394Q388-L392 WeakPolarHBondContact O-CD1 3.4Å; Q388-L392 PolarHBondContact O-N 3.14Å; R389-L392 PolarHBondContact O-N 3.33Å; L392-E394 VanDerWaalsContact C-N 3.26Å
393Q44.5Very low49.6Very low169 Ų16999.4 Ų99.479%0.7956%0.563SS**THydrogen-bonded Turntrans-80.1-14.6176.7-154.8164.61000112.2H391H391-Q393 PolarHBondContact O-N 3.37Å
394E39.6Very low47.2Very low143 Ų143104 Ų10467%0.66858%0.581SS**SBendtrans-98.6100.2173-57.9-66.1143.700107.5H391 L392H391-E394 PolarHBondContact O-N 3.11Å; L392-E394 VanDerWaalsContact C-N 3.26Å
395G31.4Very low44.8Very low51 Ų51114.5 Ų114.553%0.52662%0.619SS.*  trans-56161.7169.600000111.4S397G395-S397 PolarHBondContact O-N 3.45Å
396P37Very low42.5Very low134 Ų134119.8 Ų119.887%0.8764%0.638SS**SBendtrans-65.413.4-166.5-18.631.4000117.1A398P396-A398 PolarHBondContact O-N 2.95Å
397S34Very low40.8Very low123 Ų123120.9 Ų120.986%0.8665%0.649SS**  trans-82.850.3-177.2-61.90000112.8G395G395-S397 PolarHBondContact O-N 3.45Å
398A29.5Very low38.3Very low93 Ų93125.3 Ų125.377%0.76968%0.68SS**  trans-15360163.500000109.9P396 Q400P396-A398 PolarHBondContact O-N 2.95Å; A398-Q400 PolarHBondContact O-N 2.98Å
399G27.9Very low36.2Very low68 Ų68129.2 Ų129.270%0.70170%0.703SS**  trans-58.5122.2159.800000109.6
400Q26.8Very low34.5Very low194 Ų194127.1 Ų127.191%0.90771%0.708SS**  trans55.169152.5-57.3176.3-12.200115.8A398A398-Q400 PolarHBondContact O-N 2.98Å
401H29.5Very low33Very low146 Ų146131.7 Ų131.768%0.67673%0.727SS**  trans-106.3112.3148-161.4-102.7000109.5
402V26.1Very low30.8Very low115 Ų115134.6 Ų134.670%0.69775%0.748SS**  trans-41.1144.2171.9171.60000110.6E404V402-E404 PolarHBondContact O-N 2.72Å
403Q24.4Very low29.5Very low181 Ų181132 Ų13285%0.84675%0.749SS**  trans-42.472.6170.3-171.5174.5-34.200113.2
404E24.5Very low28.6Very low126 Ų126130 Ų13059%0.58974%0.743SS**  trans-84.1119.8165.1-70.5-137.7148.200107.9V402 F406V402-E404 PolarHBondContact O-N 2.72Å; E404-F406 HydrophobicContact CB-CD2 4.26Å; E404-F406 HydrophobicContact CB-CE2 3.9Å; E404-F406 WeakPolarHBondContact O-CD2 3.4Å; E404-F406 PolarHBondContact O-N 3Å
405R25.4Very low28.1Very low239 Ų239129.6 Ų129.690%0.90275%0.752SS**  trans-63.280178.6-65.5175.5174.6142.6-3.1108.9S407R405-S407 PolarHBondContact O-N 2.76Å
406F24.6Very low27.9Very low161 Ų161131 Ų13171%0.70677%0.767SS**  trans-72.5100.4169.3-78.3-76.2000108.7E404E404-F406 HydrophobicContact CB-CD2 4.26Å; E404-F406 HydrophobicContact CB-CE2 3.9Å; E404-F406 WeakPolarHBondContact O-CD2 3.4Å; E404-F406 PolarHBondContact O-N 3Å
407S29.5Very low27.6Very low91 Ų91131.4 Ų131.464%0.63676%0.756SS**  trans-61.9131.2165.2-1670000108.3R405 N409R405-S407 PolarHBondContact O-N 2.76Å; S407-N409 PolarHBondContact O-N 2.95Å
408P27.1Very low27.5Very low124 Ų124133.2 Ų133.281%0.80576%0.755SS**THydrogen-bonded Turntrans-71.46.2-161.7-15.430.3000115.9
409N27.3Very low27.6Very low143 Ų143133.3 Ų133.377%0.76575%0.748SS**THydrogen-bonded Turntrans-109.48.6-169-7414000114.5S407 L411S407-N409 PolarHBondContact O-N 2.95Å; N409-L411 PolarHBondContact O-N 3.46Å
410S30.5Very low27.7Very low86 Ų86139.8 Ų139.860%0.60175%0.751SS**  trans-83.293.4173.1171.70000110.7V412S410-V412 PolarHBondContact O-N 3.29Å
411L29.7Very low28.1Very low174 Ų174139.9 Ų139.991%0.91174%0.743SS**  trans-73.152.4178.2-72.5168000113.2N409 A413N409-L411 PolarHBondContact O-N 3.46Å; L411-A413 PolarHBondContact O-N 3.45Å
412V26.9Very low28.5Very low117 Ų117142.5 Ų142.571%0.70975%0.752SS**  trans-86.6104.3170.5-176.70000108.1S410 L414S410-V412 PolarHBondContact O-N 3.29Å; V412-L414 PolarHBondContact O-N 2.92Å
413A23.7Very low29.3Very low95 Ų95139.5 Ų139.579%0.78574%0.737SS**  trans-68.6113.7-179.600000110.7L411L411-A413 PolarHBondContact O-N 3.45Å
414L24.6Very low30.4Very low127 Ų127142.2 Ų142.267%0.66574%0.739SS**  trans-92.3131.6165.4-75.8168.4000109.7V412 G416V412-L414 PolarHBondContact O-N 2.92Å; L414-G416 PolarHBondContact O-N 3.18Å
415P28.9Very low31.6Very low133 Ų133140.9 Ų140.986%0.86474%0.744SS**THydrogen-bonded Turntrans-62.1127.6171.6-18.831.4000110.5
416G27.9Very low33.1Very low81 Ų81131.6 Ų131.684%0.83572%0.716SS**THydrogen-bonded Turntrans110.1-15.6170.800000116.4L414 I418L414-G416 PolarHBondContact O-N 3.18Å; G416-I418 PolarHBondContact O-N 2.93Å
417H31.9Very low35.3Very low142 Ų142125.5 Ų125.566%0.65769%0.69SS**  trans-80.4111.2168-89.4-76.3000109.5P419H417-P419 WeakPolarHBondContact O-CD 3.43Å; H417-P419 WeakPolarHBondContact O-CG 3.48Å
418I29.9Very low37.5Very low162 Ų162126.1 Ų126.183%0.83169%0.685SS**  trans-72.2102159.3-60170.3000105.5G416 W420G416-I418 PolarHBondContact O-N 2.93Å; I418-W420 PolarHBondContact O-N 3.26Å
419P32.4Very low39.2Very low94 Ų94120.2 Ų120.261%0.6165%0.647SS**  trans-68.9131.9-175.6-15.634.2000106.8H417 R421H417-P419 WeakPolarHBondContact O-CD 3.43Å; H417-P419 WeakPolarHBondContact O-CG 3.48Å; P419-R421 PolarHBondContact O-N 3.43Å
420W29.3Very low41.3Very low204 Ų204117.1 Ų117.177%0.77365%0.649SS**  trans-58.183.9160-122.977000106.5I418 K422 L427I418-W420 PolarHBondContact O-N 3.26Å; W420-K422 PolarHBondContact O-N 3.27Å; W420-L427 HydrophobicContact CH2-CD2 4.31Å; W420-L427 HydrophobicContact CZ3-CD2 4.02Å
421R35.3Very low42.9Very low196 Ų196120.5 Ų120.574%0.7465%0.65SS**  trans-62.3110.7-178.2-111-179.6158-111.7-2.4104.2P419 S423P419-R421 PolarHBondContact O-N 3.43Å; R421-S423 PolarHBondContact O-N 2.67Å
422K39.4Very low44.5Very low201 Ų201114.9 Ų114.987%0.87462%0.624SS**  trans-6238.2154.8-80.8178.1174.9170.70110.4W420 R424W420-K422 PolarHBondContact O-N 3.27Å; K422-R424 VanDerWaalsContact C-N 3.35Å; K422-R424 PolarHBondContact O-N 2.83Å
423S41.8Very low46.4Very low53 Ų53111.8 Ų111.837%0.37162%0.616SS.*  trans-52.7107.7159.1169.70000104.8R421 S425 S426R421-S423 PolarHBondContact O-N 2.67Å; S423-S425 PolarHBondContact O-N 3.48Å; S423-S426 PolarHBondContact O-N 3.03Å
424R47.4Very low48.7Very low237 Ų237113.4 Ų113.489%0.89461%0.605SS**THydrogen-bonded Turntrans-67.412.9-157.5-150.9166.7172.4172.9-3.9113.6K422K422-R424 VanDerWaalsContact C-N 3.35Å; K422-R424 PolarHBondContact O-N 2.83Å
425S50.5Low51Low99 Ų99111.1 Ų111.169%0.69260%0.6SS**THydrogen-bonded Turntrans-151.7-1.8-177.5-59.90000116.1S423S423-S425 PolarHBondContact O-N 3.48Å
426S57Low52.9Low44 Ų44106.7 Ų106.731%0.30857%0.567SS.*  trans-137.8115.1-177.2-162.50000112.2S423 S435S423-S426 PolarHBondContact O-N 3.03Å; S426-S435 VanDerWaalsContact OG-CB 3.32Å; S426-S435 WeakPolarHBondContact OG-CB 3.4Å
427L70Confident55.1Low33 Ų33106.8 Ų106.817%0.17356%0.555CS.*EExtended strand (participates in β ladder)trans-105.4116.8179.2-62.7169.2000108.6W420 S435 F436 P439 L442W420-L427 HydrophobicContact CH2-CD2 4.31Å; W420-L427 HydrophobicContact CZ3-CD2 4.02Å; L427-S435 CarbonylContact O-C 3.57Å; L427-S435 WeakPolarHBondContact O-CA 3.44Å; L427-F436 PolarHBondContact N-O 3.22Å; L427-F436 PolarHBondContact O-N 2.85Å; L427-P439 HydrophobicContact CD1-CB 3.72Å; L427-P439 HydrophobicContact CD1-CG 3.52Å; L427-P439 VanDerWaalsContact CD1-N 3.26Å; L427-L442 HydrophobicContact CB-CB 4.34Å; L427-L442 HydrophobicContact CB-CD2 3.76Å
428I75.2Confident56.9Low103 Ų103105.2 Ų105.253%0.52855%0.548SS..EExtended strand (participates in β ladder)trans-101.1139.1-171.1-58.5173.4000110.2G433 K434I428-G433 WeakPolarHBondContact CG2-O 3.45Å; I428-K434 CarbonylContact C-O 3.42Å; I428-K434 WeakPolarHBondContact CA-O 3.3Å
429C64.5Low58.6Low1 Ų1101.5 Ų101.51%0.00753%0.534CS..  trans-74.9123.1171.1-1760000111Y431 G433 K434 F436 L442 H445 H449C429-Y431 PolarHBondContact O-N 3.23Å; C429-Y431 PolarHBondContact SG-N 3.33Å; C429-G433 VanDerWaalsContact O-CA 3.28Å; C429-G433 WeakPolarHBondContact O-CA 3.4Å; C429-G433 PolarHBondContact O-N 3.07Å; C429-K434 PolarHBondContact N-O 3.42Å; C429-F436 HydrophobicContact CB-CE2 4.14Å; C429-L442 HydrophobicContact CB-CD1 3.78Å; C429-H445 PolarHBondContact SG-CD2 2.88Å; C429-H445 PolarHBondContact SG-NE2 3.08Å; C429-H445 VanDerWaalsContact SG-NE2 3.4Å; C429-H449 VanDerWaalsContact SG-CD2 3.56Å; C429-H449 PolarHBondContact SG-NE2 2.97Å
430G71.3Confident60.5Low78 Ų78100.6 Ų100.680%0.80453%0.53SS*.THydrogen-bonded Turntrans-65-19.1176.900000115.1
431Y63.6Low62.7Low157 Ų15792.9 Ų92.962%0.61650%0.504SS*.THydrogen-bonded Turntrans-86.8-36.4-179.8-65.3-78.8000113.6C429 H449C429-Y431 PolarHBondContact O-N 3.23Å; C429-Y431 PolarHBondContact SG-N 3.33Å; Y431-H449 HydrophobicContact CD1-CB 4.22Å; Y431-H449 HydrophobicContact CD2-CB 3.64Å; Y431-H449 AromaticContact CD2-CD2 3.69Å; Y431-H449 AromaticContact CD2-CG 3.75Å; Y431-H449 HydrophobicContact CE2-CB 4.04Å; Y431-H449 HydrophobicContact CG-CB 3.75Å; Y431-H449 AromaticContact CG-CD2 3.89Å; Y431-H449 AromaticContact CG-CG 3.68Å
432C63.6Low64.6Low55 Ų5583.9 Ų83.937%0.37247%0.47SS..THydrogen-bonded Turntrans-133.14.1-172.768.90000114.6K434 H445 H449C432-K434 PolarHBondContact O-N 2.95Å; C432-K434 VanDerWaalsContact O-N 3.08Å; C432-H445 PolarHBondContact SG-NE2 3.23Å; C432-H449 PolarHBondContact SG-NE2 3.49Å
433G67.2Low66.3Low52 Ų5277.7 Ų77.754%0.53645%0.45SS..  trans69.83.2178.500000115.4I428 C429 S435I428-G433 WeakPolarHBondContact CG2-O 3.45Å; C429-G433 VanDerWaalsContact O-CA 3.28Å; C429-G433 WeakPolarHBondContact O-CA 3.4Å; C429-G433 PolarHBondContact O-N 3.07Å; G433-S435 PolarHBondContact O-N 3.26Å
434K71.5Confident67.9Low130 Ų13080.1 Ų80.157%0.56545%0.451SS*.  trans-65.6131.7178.5-73.7-177.1-179.2-174.40111.3I428 C429 C432 F436I428-K434 CarbonylContact C-O 3.42Å; I428-K434 WeakPolarHBondContact CA-O 3.3Å; C429-K434 PolarHBondContact N-O 3.42Å; C432-K434 PolarHBondContact O-N 2.95Å; C432-K434 VanDerWaalsContact O-N 3.08Å; K434-F436 HydrophobicContact CB-CE2 3.73Å; K434-F436 HydrophobicContact CB-CZ 3.88Å; K434-F436 WeakPolarHBondContact O-CD2 3.45Å; K434-F436 WeakPolarHBondContact O-CE2 3.34Å
435S72.4Confident69.5Low78 Ų7869.8 Ų69.855%0.54541%0.412SS..EExtended strand (participates in β ladder)trans-90.5142.3176.158.80000112.7S426 L427 G433S426-S435 VanDerWaalsContact OG-CB 3.32Å; S426-S435 WeakPolarHBondContact OG-CB 3.4Å; L427-S435 CarbonylContact O-C 3.57Å; L427-S435 WeakPolarHBondContact O-CA 3.44Å; G433-S435 PolarHBondContact O-N 3.26Å
436F69.4Low70.6Confident40 Ų4068.1 Ų68.118%0.17539%0.394CS..EExtended strand (participates in β ladder)trans-129.3140.5178.7-60.4-88000110.1L427 C429 K434 D441 L442 H445L427-F436 PolarHBondContact N-O 3.22Å; L427-F436 PolarHBondContact O-N 2.85Å; C429-F436 HydrophobicContact CB-CE2 4.14Å; K434-F436 HydrophobicContact CB-CE2 3.73Å; K434-F436 HydrophobicContact CB-CZ 3.88Å; K434-F436 WeakPolarHBondContact O-CD2 3.45Å; K434-F436 WeakPolarHBondContact O-CE2 3.34Å; F436-D441 HydrophobicContact CB-CB 4.35Å; F436-D441 HydrophobicContact CD1-CB 3.9Å; F436-D441 HydrophobicContact CG-CB 4.46Å; F436-L442 HydrophobicContact CB-CB 4.04Å; F436-L442 HydrophobicContact CD2-CB 3.91Å; F436-L442 HydrophobicContact CD2-CD1 3.62Å; F436-L442 HydrophobicContact CD2-CG 4.35Å; F436-L442 HydrophobicContact CE2-CD1 3.9Å; F436-L442 HydrophobicContact CG-CB 4.05Å; F436-H445 HydrophobicContact CE1-CB 3.69Å; F436-H445 AromaticContact CE1-CG 3.91Å; F436-H445 HydrophobicContact CE2-CB 3.92Å; F436-H445 AromaticContact CE2-CD2 3.41Å; F436-H445 VanDerWaalsContact CE2-CD2 3.41Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.41Å; F436-H445 AromaticContact CE2-CG 3.63Å; F436-H445 HydrophobicContact CZ-CB 3.36Å; F436-H445 AromaticContact CZ-CD2 3.38Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.42Å; F436-H445 AromaticContact CZ-CG 3.1Å; F436-H445 AromaticContact CZ-ND1 3.59Å; F436-H445 AromaticContact CZ-NE2 3.97Å
437S74.4Confident71.6Confident84 Ų8468.5 Ų68.559%0.58739%0.388SS*.SBendtrans-78.4-23.7177.854.90000112.7
438H69.2Low71.5Confident108 Ų10872.2 Ų72.250%0.541%0.407SS..SBendtrans-125.2140.1-178-74.37.2000112.5S440 D441 L442H438-S440 VanDerWaalsContact C-N 3.26Å; H438-S440 PolarHBondContact O-N 3.32Å; H438-D441 PolarHBondContact O-N 3.03Å; H438-D441 VanDerWaalsContact O-N 3.08Å; H438-L442 PolarHBondContact O-N 2.83Å
439P65.6Low71.2Confident85 Ų8570.8 Ų70.855%0.55240%0.398SS*.Hα-helixtrans-59.4-37.1178.1-17.423.7000113.3L427 D441 L442 V443L427-P439 HydrophobicContact CD1-CB 3.72Å; L427-P439 HydrophobicContact CD1-CG 3.52Å; L427-P439 VanDerWaalsContact CD1-N 3.26Å; P439-D441 PolarHBondContact O-N 3.42Å; P439-L442 PolarHBondContact O-N 3.05Å; P439-V443 VanDerWaalsContact O-CG2 3.31Å; P439-V443 WeakPolarHBondContact O-CG2 3.35Å; P439-V443 PolarHBondContact O-N 3.31Å
440S72.8Confident71.5Confident75 Ų7573.9 Ų73.952%0.52442%0.417SS..Hα-helixtrans-60.7-35.4177.149.20000112.4H438 R444H438-S440 VanDerWaalsContact C-N 3.26Å; H438-S440 PolarHBondContact O-N 3.32Å; S440-R444 VanDerWaalsContact O-CB 3.32Å; S440-R444 WeakPolarHBondContact O-CB 3.45Å; S440-R444 PolarHBondContact O-N 2.93Å
441D75.8Confident71.3Confident42 Ų4272.6 Ų72.623%0.22540%0.404CS..Hα-helixtrans-75.5-40.5-179.5-63.5-30.1000111.3F436 H438 P439 R444 H445F436-D441 HydrophobicContact CB-CB 4.35Å; F436-D441 HydrophobicContact CD1-CB 3.9Å; F436-D441 HydrophobicContact CG-CB 4.46Å; H438-D441 PolarHBondContact O-N 3.03Å; H438-D441 VanDerWaalsContact O-N 3.08Å; P439-D441 PolarHBondContact O-N 3.42Å; D441-R444 PolarHBondContact O-N 3.39Å; D441-R444 IonicContact OD1-CZ 3.92Å; D441-R444 IonicContact OD1-NH2 3.83Å; D441-R444 PolarHBondContact OD1-NH2 3.15Å; D441-H445 VanDerWaalsContact O-CB 3.27Å; D441-H445 WeakPolarHBondContact O-CB 3.4Å; D441-H445 PolarHBondContact O-N 3.4Å
442L75Confident71.7Confident6 Ų668.8 Ų68.83%0.03139%0.392CS..Hα-helixtrans-59.7-47.6172173.460.5000111L427 C429 F436 H438 P439 R444 H445 Q446L427-L442 HydrophobicContact CB-CB 4.34Å; L427-L442 HydrophobicContact CB-CD2 3.76Å; C429-L442 HydrophobicContact CB-CD1 3.78Å; F436-L442 HydrophobicContact CB-CB 4.04Å; F436-L442 HydrophobicContact CD2-CB 3.91Å; F436-L442 HydrophobicContact CD2-CD1 3.62Å; F436-L442 HydrophobicContact CD2-CG 4.35Å; F436-L442 HydrophobicContact CE2-CD1 3.9Å; F436-L442 HydrophobicContact CG-CB 4.05Å; H438-L442 PolarHBondContact O-N 2.83Å; P439-L442 PolarHBondContact O-N 3.05Å; L442-R444 VanDerWaalsContact C-N 3.34Å; L442-R444 PolarHBondContact O-N 2.74Å; L442-H445 WeakPolarHBondContact O-CB 3.45Å; L442-H445 PolarHBondContact O-N 3.45Å; L442-H445 VanDerWaalsContact O-N 3.13Å; L442-Q446 HydrophobicContact CD1-CG 4.11Å; L442-Q446 HydrophobicContact CG-CG 4.47Å; L442-Q446 WeakPolarHBondContact O-CG 3.5Å; L442-Q446 PolarHBondContact O-N 3.26Å
443V73.7Confident72.5Confident72 Ų7273.8 Ų73.844%0.43640%0.403SS..Hα-helixtrans-61.8-43.3179170.80000110.9P439 H445 Q446P439-V443 VanDerWaalsContact O-CG2 3.31Å; P439-V443 WeakPolarHBondContact O-CG2 3.35Å; P439-V443 PolarHBondContact O-N 3.31Å; V443-H445 VanDerWaalsContact C-N 3.29Å; V443-H445 PolarHBondContact O-N 3.47Å; V443-Q446 PolarHBondContact O-N 3.14Å
444R75.5Confident73.1Confident104 Ų10474.8 Ų74.839%0.39240%0.4SS..Hα-helixtrans-61.9-39.5175-179.717663.6-164.2-11.3111.6S440 D441 L442 Q466S440-R444 VanDerWaalsContact O-CB 3.32Å; S440-R444 WeakPolarHBondContact O-CB 3.45Å; S440-R444 PolarHBondContact O-N 2.93Å; D441-R444 PolarHBondContact O-N 3.39Å; D441-R444 IonicContact OD1-CZ 3.92Å; D441-R444 IonicContact OD1-NH2 3.83Å; D441-R444 PolarHBondContact OD1-NH2 3.15Å; L442-R444 VanDerWaalsContact C-N 3.34Å; L442-R444 PolarHBondContact O-N 2.74Å; R444-Q466 HydrophobicContact CG-CG 4.22Å
445H81.2Confident73.6Confident19 Ų1972.2 Ų72.29%0.08839%0.387CS..Hα-helixtrans-67.6-40.9177.9169.771.7000112.5C429 C432 F436 D441 L442 V443 R447 I448 H449C429-H445 PolarHBondContact SG-CD2 2.88Å; C429-H445 PolarHBondContact SG-NE2 3.08Å; C429-H445 VanDerWaalsContact SG-NE2 3.4Å; C432-H445 PolarHBondContact SG-NE2 3.23Å; F436-H445 HydrophobicContact CE1-CB 3.69Å; F436-H445 AromaticContact CE1-CG 3.91Å; F436-H445 HydrophobicContact CE2-CB 3.92Å; F436-H445 AromaticContact CE2-CD2 3.41Å; F436-H445 VanDerWaalsContact CE2-CD2 3.41Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.41Å; F436-H445 AromaticContact CE2-CG 3.63Å; F436-H445 HydrophobicContact CZ-CB 3.36Å; F436-H445 AromaticContact CZ-CD2 3.38Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.42Å; F436-H445 AromaticContact CZ-CG 3.1Å; F436-H445 AromaticContact CZ-ND1 3.59Å; F436-H445 AromaticContact CZ-NE2 3.97Å; D441-H445 VanDerWaalsContact O-CB 3.27Å; D441-H445 WeakPolarHBondContact O-CB 3.4Å; D441-H445 PolarHBondContact O-N 3.4Å; L442-H445 WeakPolarHBondContact O-CB 3.45Å; L442-H445 PolarHBondContact O-N 3.45Å; L442-H445 VanDerWaalsContact O-N 3.13Å; V443-H445 VanDerWaalsContact C-N 3.29Å; V443-H445 PolarHBondContact O-N 3.47Å; H445-R447 PolarHBondContact O-N 3.02Å; H445-R447 VanDerWaalsContact O-N 3.12Å; H445-I448 VanDerWaalsContact O-CB 3.28Å; H445-I448 WeakPolarHBondContact O-CB 3.39Å; H445-I448 WeakPolarHBondContact O-CG1 3.39Å; H445-I448 PolarHBondContact O-N 2.98Å; H445-H449 AromaticContact CD2-NE2 3.97Å; H445-H449 AromaticContact CE1-NE2 3.53Å; H445-H449 AromaticContact NE2-CD2 3.74Å; H445-H449 AromaticContact NE2-NE2 3.06Å; H445-H449 PolarHBondContact NE2-NE2 3.43Å
446Q73.8Confident74.2Confident64 Ų6471.8 Ų71.830%0.29938%0.384SS..Hα-helixtrans-57.9-28.2179.1-78.1176.5-19.700112.9L442 V443 I448 H449 T450L442-Q446 HydrophobicContact CD1-CG 4.11Å; L442-Q446 HydrophobicContact CG-CG 4.47Å; L442-Q446 WeakPolarHBondContact O-CG 3.5Å; L442-Q446 PolarHBondContact O-N 3.26Å; V443-Q446 PolarHBondContact O-N 3.14Å; Q446-I448 PolarHBondContact O-N 2.88Å; Q446-H449 PolarHBondContact O-N 2.98Å; Q446-T450 PolarHBondContact O-N 3.36Å
447R77.9Confident74.8Confident52 Ų5269.9 Ų69.920%0.19638%0.376CS..Hα-helixtrans-62.9-20.6175-61.7179.2-173.6177.5-0.5114.2H445 H449 T450 G451 V465H445-R447 PolarHBondContact O-N 3.02Å; H445-R447 VanDerWaalsContact O-N 3.12Å; R447-H449 VanDerWaalsContact C-N 3.3Å; R447-T450 WeakPolarHBondContact CA-OG1 3.41Å; R447-G451 PolarHBondContact O-N 3.24Å; R447-G451 VanDerWaalsContact O-N 3.09Å; R447-V465 HydrophobicContact CB-CG1 3.54Å; R447-V465 HydrophobicContact CG-CG1 4.49Å
448I68.6Low75.1Confident112 Ų11271.7 Ų71.757%0.57438%0.383SS*.Hα-helixtrans-69.6-33.8173.9-58.3171.3000110.2H445 Q446H445-I448 VanDerWaalsContact O-CB 3.28Å; H445-I448 WeakPolarHBondContact O-CB 3.39Å; H445-I448 WeakPolarHBondContact O-CG1 3.39Å; H445-I448 PolarHBondContact O-N 2.98Å; Q446-I448 PolarHBondContact O-N 2.88Å
449H69.2Low75.6Confident73 Ų7370.8 Ų70.834%0.33838%0.379SS..Hα-helixtrans-83.3-37.7178.1-58.9-65.3000112.1C429 Y431 C432 H445 Q446 R447 G451C429-H449 VanDerWaalsContact SG-CD2 3.56Å; C429-H449 PolarHBondContact SG-NE2 2.97Å; Y431-H449 HydrophobicContact CD1-CB 4.22Å; Y431-H449 HydrophobicContact CD2-CB 3.64Å; Y431-H449 AromaticContact CD2-CD2 3.69Å; Y431-H449 AromaticContact CD2-CG 3.75Å; Y431-H449 HydrophobicContact CE2-CB 4.04Å; Y431-H449 HydrophobicContact CG-CB 3.75Å; Y431-H449 AromaticContact CG-CD2 3.89Å; Y431-H449 AromaticContact CG-CG 3.68Å; C432-H449 PolarHBondContact SG-NE2 3.49Å; H445-H449 AromaticContact CD2-NE2 3.97Å; H445-H449 AromaticContact CE1-NE2 3.53Å; H445-H449 AromaticContact NE2-CD2 3.74Å; H445-H449 AromaticContact NE2-NE2 3.06Å; H445-H449 PolarHBondContact NE2-NE2 3.43Å; Q446-H449 PolarHBondContact O-N 2.98Å; R447-H449 VanDerWaalsContact C-N 3.3Å; H449-G451 VanDerWaalsContact C-N 3.35Å
450T70.8Confident76.4Confident65 Ų6569 Ų6940%0.39937%0.368SS..Hα-helixtrans-81.6-13.6-178.6650000114Q446 R447 E452Q446-T450 PolarHBondContact O-N 3.36Å; R447-T450 WeakPolarHBondContact CA-OG1 3.41Å; T450-E452 PolarHBondContact O-N 2.66Å; T450-E452 PolarHBondContact OG1-N 3.17Å
451G67.1Low76.8Confident51 Ų5173.3 Ų73.353%0.52638%0.38SS..  trans71.15.9-175.900000114.7R447 H449 R453R447-G451 PolarHBondContact O-N 3.24Å; R447-G451 VanDerWaalsContact O-N 3.09Å; H449-G451 VanDerWaalsContact C-N 3.35Å; G451-R453 PolarHBondContact O-N 3.19Å
452E71.2Confident77Confident77 Ų7777.5 Ų77.536%0.3640%0.396SS..  trans-63.8120.1178.8-74.5-175.1-177.600111.1R389 T450 P454R389-E452 IonicContact CZ-OE1 3.73Å; R389-E452 IonicContact NH1-OE1 3.01Å; R389-E452 PolarHBondContact NH1-OE1 3.29Å; R389-E452 IonicContact NH2-OE1 3.45Å; R389-E452 PolarHBondContact NH2-OE1 2.95Å; T450-E452 PolarHBondContact O-N 2.66Å; T450-E452 PolarHBondContact OG1-N 3.17Å; E452-P454 VanDerWaalsContact O-CD 3.31Å; E452-P454 WeakPolarHBondContact O-CD 3.49Å
453R81.2Confident77.2Confident161 Ų16179.3 Ų79.361%0.60841%0.409SS*.  trans-119.576.9179.3-72.1172.2159.2-176.7-1.8111.2G451 Y455 S463 F464 V465G451-R453 PolarHBondContact O-N 3.19Å; R453-Y455 VanDerWaalsContact C-N 3.25Å; R453-Y455 PolarHBondContact O-N 3.18Å; R453-S463 VanDerWaalsContact CD-O 3.29Å; R453-S463 WeakPolarHBondContact CD-O 3.37Å; R453-F464 CarbonylContact C-O 3.55Å; R453-F464 WeakPolarHBondContact CA-O 3.39Å; R453-V465 HydrophobicContact CG-CG2 3.91Å
454P79.8Confident77.4Confident73 Ų7377.9 Ų77.947%0.47440%0.397SS..  trans-74.7-7.9-170.727.8-34000115E452E452-P454 VanDerWaalsContact O-CD 3.31Å; E452-P454 WeakPolarHBondContact O-CD 3.49Å
455Y82.1Confident77.6Confident76 Ų7674.3 Ų74.330%0.29839%0.387SS..EExtended strand (participates in β ladder)trans-11095.8-176.5-57.2-73.4000110.4R453 S463 F464 V465 K467R453-Y455 VanDerWaalsContact C-N 3.25Å; R453-Y455 PolarHBondContact O-N 3.18Å; Y455-S463 CarbonylContact O-C 3.53Å; Y455-S463 WeakPolarHBondContact O-CA 3.45Å; Y455-F464 WeakPolarHBondContact CD2-O 3.47Å; Y455-F464 PolarHBondContact N-O 2.98Å; Y455-F464 WeakPolarHBondContact O-CD2 3.44Å; Y455-F464 PolarHBondContact O-N 3.49Å; Y455-V465 WeakPolarHBondContact CE2-O 3.4Å; Y455-K467 HydrophobicContact CD1-CB 4Å; Y455-K467 HydrophobicContact CD1-CG 4.32Å; Y455-K467 HydrophobicContact CD2-CB 4.44Å; Y455-K467 VanDerWaalsContact CD2-N 3.32Å; Y455-K467 HydrophobicContact CE1-CB 3.78Å; Y455-K467 HydrophobicContact CE1-CG 4.26Å; Y455-K467 HydrophobicContact CE2-CB 4.23Å; Y455-K467 HydrophobicContact CG-CB 4.33Å
456S84.6Confident77.5Confident68 Ų6875.6 Ų75.648%0.47639%0.393SS..EExtended strand (participates in β ladder)trans-90.5147176.254.20000112.6K462 S463S456-K462 CarbonylContact C-O 3.51Å; S456-K462 WeakPolarHBondContact CA-O 3.43Å; S456-S463 WeakPolarHBondContact CB-OG 3.48Å
457C80.8Confident77.9Confident1 Ų178.5 Ų78.51%0.00741%0.405CS..  trans-81.3131.6167.5-177.10000109.5E459 E461 K462 L470 H473 H477C457-E459 VanDerWaalsContact C-N 3.27Å; C457-E459 PolarHBondContact O-N 3.03Å; C457-E459 PolarHBondContact SG-N 2.9Å; C457-E459 VanDerWaalsContact SG-N 3.39Å; C457-E461 WeakPolarHBondContact O-CA 3.49Å; C457-E461 PolarHBondContact O-N 3.22Å; C457-K462 PolarHBondContact N-O 2.88Å; C457-L470 HydrophobicContact CB-CD1 3.84Å; C457-H473 PolarHBondContact SG-NE2 3.25Å; C457-H473 VanDerWaalsContact SG-NE2 3.38Å; C457-H477 PolarHBondContact SG-NE2 3.45Å
458T82.5Confident78.1Confident121 Ų12182.8 Ų82.874%0.74243%0.427SS*.THydrogen-bonded Turntrans-74.5-16.3176.751.30000113.5
459E79.5Confident78.8Confident90 Ų9081.5 Ų81.542%0.42142%0.418SS..THydrogen-bonded Turntrans-93.7-31.7-175.3-59.8-172.2-146.100113.1C457 H477 R481C457-E459 VanDerWaalsContact C-N 3.27Å; C457-E459 PolarHBondContact O-N 3.03Å; C457-E459 PolarHBondContact SG-N 2.9Å; C457-E459 VanDerWaalsContact SG-N 3.39Å; E459-H477 WeakPolarHBondContact OE2-CB 3.47Å; E459-H477 IonicContact OE2-CD2 3.35Å; E459-H477 IonicContact OE2-CG 3.2Å; E459-H477 IonicContact OE2-ND1 3.38Å; E459-R481 IonicContact OE1-NH2 2.75Å; E459-R481 PolarHBondContact OE1-NH2 3.16Å; E459-R481 IonicContact OE2-CZ 3.47Å; E459-R481 IonicContact OE2-NH2 3.9Å; E459-R481 PolarHBondContact OE2-NH2 3.29Å
460C82.4Confident79.4Confident47 Ų4779 Ų7932%0.31841%0.407SS..THydrogen-bonded Turntrans-1359.8-179.770.20000113.8K462 H473C460-K462 PolarHBondContact O-N 2.89Å; C460-H473 PolarHBondContact SG-CE1 3.43Å; C460-H473 PolarHBondContact SG-NE2 3.28Å
461E80.2Confident80.1Confident165 Ų16580 Ų8077%0.77141%0.41SS*.  trans59.91.3177.2-56.4-174.1166.800115.9C457 S463C457-E461 WeakPolarHBondContact O-CA 3.49Å; C457-E461 PolarHBondContact O-N 3.22Å; E461-S463 PolarHBondContact O-N 3.09Å; E461-S463 PolarHBondContact O-OG 3.36Å
462K80.4Confident80.8Confident131 Ų13184 Ų8457%0.5742%0.415SS*.  trans-58.8128.3174.6-71.8-175.9-178.6-177.30110.3S456 C457 C460 F464S456-K462 CarbonylContact C-O 3.51Å; S456-K462 WeakPolarHBondContact CA-O 3.43Å; C457-K462 PolarHBondContact N-O 2.88Å; C460-K462 PolarHBondContact O-N 2.89Å; K462-F464 HydrophobicContact CB-CE2 4.05Å; K462-F464 HydrophobicContact CB-CZ 4.13Å; K462-F464 WeakPolarHBondContact O-CE2 3.5Å
463S79.4Confident81.4Confident44 Ų4481.4 Ų81.431%0.30840%0.402SS..EExtended strand (participates in β ladder)trans-107.9138.5-175.9-63.30000112.2R453 Y455 S456 E461R453-S463 VanDerWaalsContact CD-O 3.29Å; R453-S463 WeakPolarHBondContact CD-O 3.37Å; Y455-S463 CarbonylContact O-C 3.53Å; Y455-S463 WeakPolarHBondContact O-CA 3.45Å; S456-S463 WeakPolarHBondContact CB-OG 3.48Å; E461-S463 PolarHBondContact O-N 3.09Å; E461-S463 PolarHBondContact O-OG 3.36Å
464F78.2Confident81.4Confident42 Ų4276.4 Ų76.418%0.18439%0.386CS..EExtended strand (participates in β ladder)trans-122.9147.5-172.8-59.2-88.6000111.3R453 Y455 K462 Q466 H469 L470 H473R453-F464 CarbonylContact C-O 3.55Å; R453-F464 WeakPolarHBondContact CA-O 3.39Å; Y455-F464 WeakPolarHBondContact CD2-O 3.47Å; Y455-F464 PolarHBondContact N-O 2.98Å; Y455-F464 WeakPolarHBondContact O-CD2 3.44Å; Y455-F464 PolarHBondContact O-N 3.49Å; K462-F464 HydrophobicContact CB-CE2 4.05Å; K462-F464 HydrophobicContact CB-CZ 4.13Å; K462-F464 WeakPolarHBondContact O-CE2 3.5Å; F464-Q466 VanDerWaalsContact C-N 3.32Å; F464-H469 HydrophobicContact CB-CB 4.23Å; F464-H469 HydrophobicContact CD1-CB 3.81Å; F464-H469 HydrophobicContact CG-CB 4.25Å; F464-L470 HydrophobicContact CB-CB 4.39Å; F464-L470 HydrophobicContact CD2-CB 3.86Å; F464-L470 HydrophobicContact CD2-CD1 3.88Å; F464-L470 HydrophobicContact CD2-CG 4.49Å; F464-L470 HydrophobicContact CE2-CD1 4.01Å; F464-L470 HydrophobicContact CG-CB 4.3Å; F464-H473 HydrophobicContact CE1-CB 4.04Å; F464-H473 HydrophobicContact CE2-CB 3.88Å; F464-H473 AromaticContact CE2-CD2 3.54Å; F464-H473 AromaticContact CE2-CG 3.67Å; F464-H473 HydrophobicContact CZ-CB 3.42Å; F464-H473 VanDerWaalsContact CZ-CB 3.42Å; F464-H473 AromaticContact CZ-CD2 3.64Å; F464-H473 AromaticContact CZ-CG 3.28Å; F464-H473 AromaticContact CZ-ND1 3.76Å
465V78.5Confident81.6Confident28 Ų2879.4 Ų79.417%0.1739%0.392CS..SBendtrans-71.3-30.6176.8179.80000111.7R447 R453 Y455R447-V465 HydrophobicContact CB-CG1 3.54Å; R447-V465 HydrophobicContact CG-CG1 4.49Å; R453-V465 HydrophobicContact CG-CG2 3.91Å; Y455-V465 WeakPolarHBondContact CE2-O 3.4Å
466Q80.5Confident81.4Confident46 Ų4680.7 Ų80.722%0.21540%0.403CS..SBendtrans-126.7142.3-175.9-56.3-170.722.500112R444 F464 Q468 H469 L470R444-Q466 HydrophobicContact CG-CG 4.22Å; F464-Q466 VanDerWaalsContact C-N 3.32Å; Q466-Q468 VanDerWaalsContact C-N 3.29Å; Q466-Q468 PolarHBondContact O-N 3.09Å; Q466-H469 PolarHBondContact O-N 3.02Å; Q466-L470 PolarHBondContact O-N 3.43Å
467K82Confident81.1Confident125 Ų12578.4 Ų78.454%0.54338%0.384SS..Hα-helixtrans-60.1-36.9178.3-171.9178.8179.4-179.20112.9Y455 H469 L470 L471Y455-K467 HydrophobicContact CD1-CB 4Å; Y455-K467 HydrophobicContact CD1-CG 4.32Å; Y455-K467 HydrophobicContact CD2-CB 4.44Å; Y455-K467 VanDerWaalsContact CD2-N 3.32Å; Y455-K467 HydrophobicContact CE1-CB 3.78Å; Y455-K467 HydrophobicContact CE1-CG 4.26Å; Y455-K467 HydrophobicContact CE2-CB 4.23Å; Y455-K467 HydrophobicContact CG-CB 4.33Å; K467-H469 VanDerWaalsContact C-N 3.3Å; K467-H469 PolarHBondContact O-N 3.1Å; K467-L470 WeakPolarHBondContact O-CB 3.4Å; K467-L470 PolarHBondContact O-N 3.33Å; K467-L471 HydrophobicContact CG-CD1 4.43Å; K467-L471 WeakPolarHBondContact O-CG 3.47Å; K467-L471 PolarHBondContact O-N 3.49Å
468Q82Confident80.4Confident142 Ų14285 Ų8566%0.66442%0.415SS*.Hα-helixtrans-63.8-36.9-179.5-66.7-175-24.500111.9Q466 L471 Q472Q466-Q468 VanDerWaalsContact C-N 3.29Å; Q466-Q468 PolarHBondContact O-N 3.09Å; Q468-L471 PolarHBondContact O-N 3.19Å; Q468-Q472 PolarHBondContact O-N 2.99Å
469H82.8Confident79.2Confident86 Ų8689.5 Ų89.540%0.39842%0.418SS..Hα-helixtrans-68.1-39.2175.6-57.5164.2000111.7F464 Q466 K467 Q472 H473F464-H469 HydrophobicContact CB-CB 4.23Å; F464-H469 HydrophobicContact CD1-CB 3.81Å; F464-H469 HydrophobicContact CG-CB 4.25Å; Q466-H469 PolarHBondContact O-N 3.02Å; K467-H469 VanDerWaalsContact C-N 3.3Å; K467-H469 PolarHBondContact O-N 3.1Å; H469-Q472 PolarHBondContact O-N 3.26Å; H469-H473 VanDerWaalsContact O-CB 3.27Å; H469-H473 WeakPolarHBondContact O-CB 3.38Å; H469-H473 PolarHBondContact O-N 3.43Å
470L82.3Confident78Confident20 Ų2092 Ų9211%0.10543%0.43CS..Hα-helixtrans-59.6-47.5171.7171.563.9000111.4C457 F464 Q466 K467 Q472 H473 Q474C457-L470 HydrophobicContact CB-CD1 3.84Å; F464-L470 HydrophobicContact CB-CB 4.39Å; F464-L470 HydrophobicContact CD2-CB 3.86Å; F464-L470 HydrophobicContact CD2-CD1 3.88Å; F464-L470 HydrophobicContact CD2-CG 4.49Å; F464-L470 HydrophobicContact CE2-CD1 4.01Å; F464-L470 HydrophobicContact CG-CB 4.3Å; Q466-L470 PolarHBondContact O-N 3.43Å; K467-L470 WeakPolarHBondContact O-CB 3.4Å; K467-L470 PolarHBondContact O-N 3.33Å; L470-Q472 VanDerWaalsContact C-N 3.33Å; L470-Q472 PolarHBondContact O-N 3.19Å; L470-H473 WeakPolarHBondContact O-CB 3.47Å; L470-H473 PolarHBondContact O-N 3.04Å; L470-Q474 HydrophobicContact CD1-CG 4.21Å; L470-Q474 WeakPolarHBondContact O-CG 3.48Å; L470-Q474 PolarHBondContact O-N 3.06Å
471L84.6Confident76.6Confident85 Ų8598.2 Ų98.245%0.44545%0.447SS..Hα-helixtrans-63.2-39179.5-70.6174.6000112.3K467 Q468 Q474K467-L471 HydrophobicContact CG-CD1 4.43Å; K467-L471 WeakPolarHBondContact O-CG 3.47Å; K467-L471 PolarHBondContact O-N 3.49Å; Q468-L471 PolarHBondContact O-N 3.19Å; L471-Q474 PolarHBondContact O-N 2.96Å
472Q81Confident75Confident135 Ų13592.5 Ų92.563%0.63143%0.432SS*.Hα-helixtrans-65.1-42.3174.5-176.3177.110.400111.3Q468 H469 L470 K475Q468-Q472 PolarHBondContact O-N 2.99Å; H469-Q472 PolarHBondContact O-N 3.26Å; L470-Q472 VanDerWaalsContact C-N 3.33Å; L470-Q472 PolarHBondContact O-N 3.19Å; Q472-K475 WeakPolarHBondContact O-CB 3.38Å; Q472-K475 PolarHBondContact O-N 3.48Å
473H84.6Confident73.4Confident23 Ų2389 Ų8911%0.10643%0.434CS..Hα-helixtrans-62.3-41.1176.4167.672.6000112.3C457 C460 F464 H469 L470 K475 I476 H477C457-H473 PolarHBondContact SG-NE2 3.25Å; C457-H473 VanDerWaalsContact SG-NE2 3.38Å; C460-H473 PolarHBondContact SG-CE1 3.43Å; C460-H473 PolarHBondContact SG-NE2 3.28Å; F464-H473 HydrophobicContact CE1-CB 4.04Å; F464-H473 HydrophobicContact CE2-CB 3.88Å; F464-H473 AromaticContact CE2-CD2 3.54Å; F464-H473 AromaticContact CE2-CG 3.67Å; F464-H473 HydrophobicContact CZ-CB 3.42Å; F464-H473 VanDerWaalsContact CZ-CB 3.42Å; F464-H473 AromaticContact CZ-CD2 3.64Å; F464-H473 AromaticContact CZ-CG 3.28Å; F464-H473 AromaticContact CZ-ND1 3.76Å; H469-H473 VanDerWaalsContact O-CB 3.27Å; H469-H473 WeakPolarHBondContact O-CB 3.38Å; H469-H473 PolarHBondContact O-N 3.43Å; L470-H473 WeakPolarHBondContact O-CB 3.47Å; L470-H473 PolarHBondContact O-N 3.04Å; H473-K475 PolarHBondContact O-N 3.4Å; H473-K475 VanDerWaalsContact O-N 3.16Å; H473-I476 VanDerWaalsContact O-CB 3.28Å; H473-I476 WeakPolarHBondContact O-CB 3.45Å; H473-I476 WeakPolarHBondContact O-CG1 3.31Å; H473-I476 PolarHBondContact O-N 2.97Å; H473-H477 AromaticContact CD2-NE2 3.85Å; H473-H477 AromaticContact CE1-NE2 3.48Å; H473-H477 PolarHBondContact CE1-NE2 3.21Å; H473-H477 AromaticContact NE2-CD2 3.86Å; H473-H477 AromaticContact NE2-CE1 3.91Å; H473-H477 AromaticContact NE2-NE2 3.01Å; H473-H477 PolarHBondContact NE2-NE2 2.79Å
474Q81.8Confident71.6Confident56 Ų5694.8 Ų94.826%0.26246%0.46SS..Hα-helixtrans-61.1-24.3177.2-76.4178.4-32.600113.8L470 L471 I476 H477 Q478L470-Q474 HydrophobicContact CD1-CG 4.21Å; L470-Q474 WeakPolarHBondContact O-CG 3.48Å; L470-Q474 PolarHBondContact O-N 3.06Å; L471-Q474 PolarHBondContact O-N 2.96Å; Q474-I476 PolarHBondContact O-N 3.45Å; Q474-H477 PolarHBondContact O-N 2.91Å; Q474-Q478 PolarHBondContact O-N 2.98Å
475K83.1Confident69.5Low137 Ų13797 Ų9760%0.59649%0.486SS*.Hα-helixtrans-68.6-22.7174.3-64.4-180-179.8-175.80113.1Q472 H473 Q478 R479Q472-K475 WeakPolarHBondContact O-CB 3.38Å; Q472-K475 PolarHBondContact O-N 3.48Å; H473-K475 PolarHBondContact O-N 3.4Å; H473-K475 VanDerWaalsContact O-N 3.16Å; K475-Q478 PolarHBondContact O-N 3.24Å; K475-R479 PolarHBondContact O-N 3.33Å
476I78.6Confident67.4Low103 Ų103103.8 Ų103.853%0.52852%0.52SS..Hα-helixtrans-68.1-44.1176.5-55.5172.1000109H473 Q474 Q478 R479 E480H473-I476 VanDerWaalsContact O-CB 3.28Å; H473-I476 WeakPolarHBondContact O-CB 3.45Å; H473-I476 WeakPolarHBondContact O-CG1 3.31Å; H473-I476 PolarHBondContact O-N 2.97Å; Q474-I476 PolarHBondContact O-N 3.45Å; I476-Q478 VanDerWaalsContact C-N 3.27Å; I476-Q478 PolarHBondContact O-N 3.1Å; I476-R479 PolarHBondContact O-N 2.85Å; I476-R479 VanDerWaalsContact O-N 3.09Å; I476-E480 PolarHBondContact O-N 3.26Å
477H77.5Confident65.1Low19 Ų19109.8 Ų109.89%0.08855%0.549CS..Hα-helixtrans-60.8-35173.8-61.9-47.6000112.7C457 E459 H473 Q474 R479 E480 R481C457-H477 PolarHBondContact SG-NE2 3.45Å; E459-H477 WeakPolarHBondContact OE2-CB 3.47Å; E459-H477 IonicContact OE2-CD2 3.35Å; E459-H477 IonicContact OE2-CG 3.2Å; E459-H477 IonicContact OE2-ND1 3.38Å; H473-H477 AromaticContact CD2-NE2 3.85Å; H473-H477 AromaticContact CE1-NE2 3.48Å; H473-H477 PolarHBondContact CE1-NE2 3.21Å; H473-H477 AromaticContact NE2-CD2 3.86Å; H473-H477 AromaticContact NE2-CE1 3.91Å; H473-H477 AromaticContact NE2-NE2 3.01Å; H473-H477 PolarHBondContact NE2-NE2 2.79Å; Q474-H477 PolarHBondContact O-N 2.91Å; H477-R479 PolarHBondContact O-N 2.89Å; H477-E480 PolarHBondContact O-N 3.2Å; H477-R481 VanDerWaalsContact O-CB 3.27Å; H477-R481 WeakPolarHBondContact O-CB 3.32Å; H477-R481 PolarHBondContact O-N 3.21Å
478Q65.6Low62.9Low139 Ų139109.2 Ų109.265%0.6556%0.558SS**Hα-helixtrans-65-36.8174.9-68.7177.34.400112.7Q474 K475 I476 G482Q474-Q478 PolarHBondContact O-N 2.98Å; K475-Q478 PolarHBondContact O-N 3.24Å; I476-Q478 VanDerWaalsContact C-N 3.27Å; I476-Q478 PolarHBondContact O-N 3.1Å; Q478-G482 PolarHBondContact O-N 3.38Å
479R57.6Low60.7Low216 Ų216106.1 Ų106.182%0.81556%0.563SS**Hα-helixtrans-69.9-38.4173.1-87.8-172.8-171.9173.22112.3K475 I476 H477 G482 G483K475-R479 PolarHBondContact O-N 3.33Å; I476-R479 PolarHBondContact O-N 2.85Å; I476-R479 VanDerWaalsContact O-N 3.09Å; H477-R479 PolarHBondContact O-N 2.89Å; R479-G482 PolarHBondContact O-N 2.77Å; R479-G483 PolarHBondContact O-N 3.15Å
480E53.9Low58.3Low143 Ų143112 Ų11267%0.66858%0.582SS**Hα-helixtrans-69.2-39.3-179.7-161.2165.4-156.100111.3I476 H477I476-E480 PolarHBondContact O-N 3.26Å; H477-E480 PolarHBondContact O-N 3.2Å
481R54.3Low56.1Low178 Ų178116.6 Ų116.667%0.67261%0.613SS**Hα-helixtrans-75.4-32.1175.6-151.1-178.8-65.7-143.32.3112.9E459 H477 G483E459-R481 IonicContact OE1-NH2 2.75Å; E459-R481 PolarHBondContact OE1-NH2 3.16Å; E459-R481 IonicContact OE2-CZ 3.47Å; E459-R481 IonicContact OE2-NH2 3.9Å; E459-R481 PolarHBondContact OE2-NH2 3.29Å; H477-R481 VanDerWaalsContact O-CB 3.27Å; H477-R481 WeakPolarHBondContact O-CB 3.32Å; H477-R481 PolarHBondContact O-N 3.21Å; R481-G483 VanDerWaalsContact C-N 3.27Å; R481-G483 PolarHBondContact O-N 3.18Å
482G47.4Very low53.6Low45 Ų45118.6 Ų118.646%0.46463%0.625SS.*THydrogen-bonded Turntrans-80.40.8176.300000114.8Q478 R479 L484Q478-G482 PolarHBondContact O-N 3.38Å; R479-G482 PolarHBondContact O-N 2.77Å; G482-L484 PolarHBondContact O-N 3.35Å
483G46.7Very low51.4Low58 Ų58115.6 Ų115.660%0.59863%0.629SS**THydrogen-bonded Turntrans-64.4-13.1176.700000114.2R479 R481R479-G483 PolarHBondContact O-N 3.15Å; R481-G483 VanDerWaalsContact C-N 3.27Å; R481-G483 PolarHBondContact O-N 3.18Å
484L41.5Very low48.9Very low164 Ų164122 Ų12286%0.85966%0.663SS**SBendtrans-11997.6172.8-60.4177.3000109.4G482G482-L484 PolarHBondContact O-N 3.35Å
485A33.5Very low46.5Very low88 Ų88131.1 Ų131.173%0.72771%0.713SS**SBendtrans80.394.1169.700000117.2
486L33.7Very low44.6Very low171 Ų171130.8 Ų130.890%0.89572%0.719SS**  trans-163.593.6132.2-99.8143.4000108.4
487E33Very low42.9Very low173 Ų173132.3 Ų132.381%0.80873%0.729SS**  trans-51.1138161.3-81.4-72106.800109.9G489E487-G489 PolarHBondContact O-N 3.37Å
488P36Very low40.9Very low113 Ų113138.6 Ų138.673%0.73476%0.764SS**  trans-74.385.4-177.628.9-32.2000111.2R490P488-R490 VanDerWaalsContact C-N 3.31Å; P488-R490 PolarHBondContact O-N 3.42Å
489G35.6Very low39.5Very low76 Ų76138.5 Ų138.578%0.78477%0.771SS**  trans-7084.7165.900000111.1E487 P491E487-G489 PolarHBondContact O-N 3.37Å; G489-P491 WeakPolarHBondContact O-CD 3.43Å
490R32.9Very low38.4Very low210 Ų210133.7 Ų133.779%0.79277%0.768SS**  trans-103.695.2168.2-165.9-170.4-140.6-136.57.2108.8P488 N492P488-R490 VanDerWaalsContact C-N 3.31Å; P488-R490 PolarHBondContact O-N 3.42Å; R490-N492 HydrophobicContact CG-CB 4.42Å; R490-N492 PolarHBondContact O-N 3.19Å
491P35.2Very low37.3Very low117 Ų117133.1 Ų133.176%0.7678%0.775SS**  trans-87.988.316432.7-26000107.6G489G489-P491 WeakPolarHBondContact O-CD 3.43Å
492N31.7Very low36.1Very low127 Ų127129.9 Ų129.968%0.67978%0.782SS**  trans-135.967.3166-91.1-21.4000108.7R490R490-N492 HydrophobicContact CG-CB 4.42Å; R490-N492 PolarHBondContact O-N 3.19Å
493G34.2Very low35.2Very low71 Ų71136.4 Ų136.473%0.73281%0.807SS**  trans-110.4118.6137.400000104.5
494L32.9Very low34.3Very low157 Ų157142.9 Ų142.982%0.82282%0.824SS**  cis48.795.649.5-68.5-175.9000112.9
495L31Very low33.6Very low248 Ų248141 Ų141100%1.29882%0.821SS**  trans73.70157.7-71.8157.4000118.5

Retrieved 495 of 495 residues in 95.4 ms (Link to these results)