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Integral membrane protein 2

Negative regulator of amyloid-beta peptide production. May inhibit the processing of APP by blocking its access to alpha- and beta-secretase. Binding to the beta-secretase-cleaved APP C-terminal fragment is negligible, suggesting that ITM2C is a poor gamma-secretase cleavage inhibitor. May play a role in TNF-induced cell death and neuronal differentiation.

AlphaFold DB , UniProt , Accession A0A087WRM2, Species MOUSE (Mus musculus, Mouse), Gene Itm2c, Length 232 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low32.9Very low248 Ų248149.5 Ų149.5100%1.22283%0.832SS**  0115.30-163.9166.4159.300107
2V32.5Very low32.9Very low124 Ų124142.5 Ų142.575%0.75282%0.819SS**  trans-105.4142.3-168.3177.10000109.5I4V2-I4 HydrophobicContact CG1-CD1 4.31Å; V2-I4 HydrophobicContact CG1-CG1 4.07Å
3K23.1Very low32.9Very low213 Ų213144.3 Ų144.393%0.92682%0.821SS**  trans-145.3145.5161.6-106.2179.51771750111.3
4I35Very low32.8Very low140 Ų140147.6 Ų147.672%0.71882%0.822SS**  trans-125.7148.5-154-74.1166.6000112.1V2V2-I4 HydrophobicContact CG1-CD1 4.31Å; V2-I4 HydrophobicContact CG1-CG1 4.07Å
5S31.9Very low32.6Very low81 Ų81143.9 Ų143.957%0.56682%0.817SS**  trans7115215486.50000120
6F31.5Very low32.5Very low196 Ų196144.1 Ų144.186%0.8682%0.815SS**  -144.6155.554.7-69.8-91.6000115.9
7Q35.8Very low32.2Very low182 Ų182147.5 Ų147.585%0.8582%0.819SS**  trans-90.2159.2162.4-81.6-175.3-5.100111.1
8P35.3Very low32.1Very low129 Ų129143.2 Ų143.284%0.83881%0.806SS**  trans-120.4157.2141.634.6-22.9000113
9A33.2Very low31.9Very low86 Ų86143.8 Ų143.871%0.71181%0.807SS**  trans-95141.6-166.500000114.5
10V36.1Very low31.8Very low145 Ų145146.7 Ų146.788%0.87981%0.81SS**  trans57.1118.7134.5-172.50000121.8
11A30.3Very low31.5Very low100 Ų100144.9 Ų144.983%0.82682%0.815SS**  -166.8123.7125.100000106.5
12G33.3Very low31.1Very low66 Ų66137.9 Ų137.968%0.6880%0.796SS**  cis107.1106.429.700000108.9
13I32.2Very low30.8Very low166 Ų166136.2 Ų136.285%0.85180%0.796SS**  trans171.7101.8151.6-82.7148.8000106.2
14K32Very low31Very low191 Ų191131.6 Ų131.683%0.8379%0.79SS**  53.5134.693.7-110.8-179.5178.4-179.90113.7
15A30.1Very low30.5Very low91 Ų91128.6 Ų128.675%0.75279%0.793SS**  cis-161.6162.436.400000114
16D29.8Very low30.7Very low147 Ų147131.4 Ų131.479%0.78681%0.81SS**  trans-57.4163176.1-56.3-78.3000116.7
17K27.6Very low30.4Very low203 Ų203126.5 Ų126.588%0.88381%0.805SS**  -170.9126109.7-163.6157.2-177175.70112.8
18A31.1Very low30Very low69 Ų69123.3 Ų123.357%0.5780%0.803SS**  trans-79.8156.3166.600000111.4
19D27.6Very low29.6Very low156 Ų156121.9 Ų121.983%0.83480%0.802SS**  173.2151.7102.4-94.3-37.9000115.1
20K29.7Very low29.2Very low201 Ų201123.8 Ų123.887%0.87481%0.81SS**  trans-60.3157.8175.9-72.9168.1168172.90114.1
21A26Very low28.8Very low109 Ų109121.3 Ų121.390%0.90181%0.805SS**  trans-156.2129.3130.200000111.8
22A27.9Very low29.6Very low101 Ų101122.7 Ų122.784%0.83581%0.806SS**  trans-122.9140.3163.300000107.3
23A27.4Very low29.3Very low89 Ų89124.3 Ų124.374%0.73681%0.813SS**  trans162.6116.5159.800000107.2
24S26.1Very low29.1Very low115 Ų115120.5 Ų120.580%0.80481%0.806SS**  77.8104.36274.70000115.3
25G26.4Very low29Very low77 Ų77121 Ų12179%0.79481%0.811SS**  trans60.1171.9148.300000119.5
26P35.1Very low29.2Very low140 Ų140123.1 Ų123.191%0.90981%0.808SS**  cis-135.6-167.912.139.2-18.2000115.3
27A24.6Very low29Very low93 Ų93124.5 Ų124.577%0.76982%0.815SS**  trans-83.1165.3-167.700000117.1
28S27.6Very low29.2Very low115 Ų115121 Ų12180%0.80481%0.805SS**  trans169109.1135.141.60000108.2
29A26.6Very low29.4Very low99 Ų99123.1 Ų123.182%0.81881%0.811SS**  65103.581.100000114.6
30S26.6Very low29.9Very low126 Ų126122 Ų12288%0.88181%0.813SS**  trans-177.1118.1131.344.30000111.7
31A27.5Very low30Very low94 Ų94116.9 Ų116.978%0.77781%0.808SS**  trans-101.3166.5151.500000106.7
32P46.3Very low30.3Very low129 Ų129122.5 Ų122.584%0.83881%0.805SS**  -138.3174.363.526.7-1.6000111.2
33A26.4Very low30.5Very low100 Ų100123.4 Ų123.483%0.82679%0.792SS**  -164.4153.254.300000111.1
34A28.8Very low31Very low85 Ų85128.4 Ų128.470%0.70280%0.801SS**  trans-76145.2-174.700000113
35E29.4Very low31.4Very low203 Ų203133 Ų13395%0.94980%0.801SS**  trans-140.8133.2139.5-112.7-179.1176.600109.6
36I34.2Very low32Very low134 Ų134134.7 Ų134.769%0.68780%0.797SS**  trans-107.5132.5-165.4-67.5163.1000107.2L38I36-L38 HydrophobicContact CG2-CD1 3.53Å
37L26.6Very low32.6Very low177 Ų177134.1 Ų134.193%0.92779%0.794SS**  trans-149.9122.8152.2-137.3145.1000111.5
38L31.2Very low33.2Very low129 Ų129141 Ų14168%0.67580%0.8SS**  trans-82133.8-172.5-87.980.2000113.6I36I36-L38 HydrophobicContact CG2-CD1 3.53Å
39T35.3Very low34.4Very low114 Ų114144.7 Ų144.770%0.69980%0.804SS**  33.9150.9127.512.30000122.9
40P38.7Very low35.2Very low133 Ų133149.5 Ų149.586%0.86480%0.801SS**  -140.4171.291.834.4-15.9000116.3
41A32.3Very low36.6Very low93 Ų93149 Ų14977%0.76980%0.797SS**  trans-81178.9-160.500000117
42R31.6Very low37.5Very low226 Ų226153.8 Ų153.885%0.85380%0.795SS**  trans100.7127.4152.2-135.5-177.8170.2111.71.8113.6
43E30.8Very low38Very low120 Ų120157.8 Ų157.856%0.56180%0.8SS**  cis-159.9133.831.5-168.5154.5110.700109.6R45E43-R45 IonicContact OE1-NH2 3.84Å
44E38.6Very low39.4Very low195 Ų195155.7 Ų155.791%0.91179%0.788SS**  trans-68.3135.2168.9-78.8-174.1127.100111.1
45R34.3Very low40.9Very low212 Ų212154.6 Ų154.680%0.878%0.784SS**  trans-135.2146.8160.6-83.2-169.2-167.2-175.65.2110.2E43E43-R45 IonicContact OE1-NH2 3.84Å
46P40.5Very low42.7Very low111 Ų111149 Ų14972%0.72177%0.768SS**PPolyproline II helixtrans-70.4163.1-154.728.2-35.8000113.9R48P46-R48 PolarHBondContact O-N 2.85Å; P46-R48 VanDerWaalsContact O-N 3.15Å
47P46Very low44.2Very low129 Ų129147.9 Ų147.984%0.83877%0.767SS**PPolyproline II helixtrans-60.8122.5-176.724.7-32.6000109.9H49P47-H49 PolarHBondContact O-N 2.78Å
48R38Very low46.4Very low238 Ų238141.2 Ų141.290%0.89874%0.741SS**PPolyproline II helixtrans-56125.2169.5-73.9-155.5172.7-161.70.6108.8P46 R50P46-R48 PolarHBondContact O-N 2.85Å; P46-R48 VanDerWaalsContact O-N 3.15Å; R48-R50 VanDerWaalsContact C-N 3.31Å; R48-R50 PolarHBondContact O-N 3.25Å
49H51.9Low48.5Very low192 Ų192136.4 Ų136.489%0.88972%0.723SS**  trans-52.598.1160.4-101-72.6000108.7P47 S51P47-H49 PolarHBondContact O-N 2.78Å; H49-S51 PolarHBondContact O-N 3.18Å
50R43.6Very low50.8Low199 Ų199135.5 Ų135.575%0.75172%0.717SS**  trans-9183.3168.3-162.7173.7-167167.63.8106.8R48 R52R48-R50 VanDerWaalsContact C-N 3.31Å; R48-R50 PolarHBondContact O-N 3.25Å; R50-R52 HydrophobicContact CG-CB 4.21Å; R50-R52 PolarHBondContact O-N 3.11Å
51S57.1Low53Low116 Ų116132.2 Ų132.281%0.81170%0.696SS**  trans-69.675162.759.10000108.8H49 K53H49-S51 PolarHBondContact O-N 3.18Å; S51-K53 PolarHBondContact O-N 3.02Å
52R45.5Very low55.6Low195 Ų195136.9 Ų136.974%0.73670%0.695SS**  trans-97.274.3165.5-158.4161.9100.1165.73.6108.7R50 G54R50-R52 HydrophobicContact CG-CB 4.21Å; R50-R52 PolarHBondContact O-N 3.11Å; R52-G54 PolarHBondContact O-N 3.24Å
53K56.8Low58.3Low213 Ų213132.2 Ų132.293%0.92669%0.686SS**  trans-70.670.6154.3-91.9-178.6174.61770107.7S51 G55S51-K53 PolarHBondContact O-N 3.02Å; K53-G55 PolarHBondContact O-N 2.82Å
54G56.3Low61Low56 Ų56129.2 Ų129.258%0.57768%0.679SS**  trans-85.192.916100000106.3R52 S56R52-G54 PolarHBondContact O-N 3.24Å; G54-S56 PolarHBondContact O-N 2.77Å
55G60.2Low63.6Low61 Ų61126 Ų12663%0.62967%0.666SS**  trans-54.9123.6173.200000108.9K53 V57K53-G55 PolarHBondContact O-N 2.82Å; G55-V57 VanDerWaalsContact C-N 3.34Å; G55-V57 PolarHBondContact O-N 2.9Å
56S66.4Low66.3Low86 Ų86117.6 Ų117.660%0.60164%0.644SS**  trans-65.995.1177.5-179.30000108.5G54 G58 G59 V60G54-S56 PolarHBondContact O-N 2.77Å; S56-G58 PolarHBondContact O-N 3.11Å; S56-G59 WeakPolarHBondContact O-CA 2.87Å; S56-G59 PolarHBondContact O-N 3.17Å; S56-G59 PolarHBondContact OG-N 2.84Å; S56-V60 PolarHBondContact O-N 3.32Å
57V67.3Low68.8Low111 Ų111117.7 Ų117.767%0.67364%0.637SS**Hα-helixtrans-54.1-38.1179.1178.70000110.3G55 V60 C61G55-V57 VanDerWaalsContact C-N 3.34Å; G55-V57 PolarHBondContact O-N 2.9Å; V57-V60 PolarHBondContact O-N 2.84Å; V57-C61 PolarHBondContact O-N 2.81Å; V57-C61 PolarHBondContact O-SG 2.98Å
58G71.1Confident71.2Confident36 Ų36115.1 Ų115.137%0.37162%0.618SS.*Hα-helixtrans-62.5-44.3174.300000113S56 V60 C61 Y62S56-G58 PolarHBondContact O-N 3.11Å; G58-V60 VanDerWaalsContact C-N 3.33Å; G58-V60 PolarHBondContact O-N 3.48Å; G58-C61 PolarHBondContact O-N 2.82Å; G58-Y62 WeakPolarHBondContact O-CD2 3.04Å; G58-Y62 PolarHBondContact O-N 3.43Å
59G76.9Confident73.9Confident29 Ų29108.7 Ų108.730%0.29961%0.605SS.*Hα-helixtrans-61.5-40.517600000112.6S56 C61 Y62 L63S56-G59 WeakPolarHBondContact O-CA 2.87Å; S56-G59 PolarHBondContact O-N 3.17Å; S56-G59 PolarHBondContact OG-N 2.84Å; G59-C61 VanDerWaalsContact C-N 3.35Å; G59-C61 PolarHBondContact O-N 3.12Å; G59-Y62 PolarHBondContact O-N 2.65Å; G59-L63 WeakPolarHBondContact O-CB 3.48Å; G59-L63 WeakPolarHBondContact O-CG 3.48Å; G59-L63 PolarHBondContact O-N 3.27Å
60V83Confident76Confident95 Ų95104.9 Ų104.958%0.57659%0.591SS**Hα-helixtrans-64.9-38.3176.6178.50000111.5S56 V57 G58 S64S56-V60 PolarHBondContact O-N 3.32Å; V57-V60 PolarHBondContact O-N 2.84Å; G58-V60 VanDerWaalsContact C-N 3.33Å; G58-V60 PolarHBondContact O-N 3.48Å; V60-S64 WeakPolarHBondContact O-CB 3.4Å; V60-S64 PolarHBondContact O-N 2.84Å; V60-S64 PolarHBondContact O-OG 3.5Å
61C84.2Confident78.4Confident64 Ų64100.2 Ų100.243%0.43258%0.58SS.*Hα-helixtrans-68.5-37.8176.6-67.40000113.5V57 G58 G59 S64 M65V57-C61 PolarHBondContact O-N 2.81Å; V57-C61 PolarHBondContact O-SG 2.98Å; G58-C61 PolarHBondContact O-N 2.82Å; G59-C61 VanDerWaalsContact C-N 3.35Å; G59-C61 PolarHBondContact O-N 3.12Å; C61-S64 WeakPolarHBondContact CA-OG 3.27Å; C61-S64 PolarHBondContact O-N 3.35Å; C61-S64 PolarHBondContact O-OG 3.01Å; C61-M65 WeakPolarHBondContact O-CB 3.36Å; C61-M65 VanDerWaalsContact O-CG 3.29Å; C61-M65 WeakPolarHBondContact O-CG 3.48Å; C61-M65 PolarHBondContact O-N 2.81Å
62Y87.3Confident80.2Confident191 Ų191100 Ų10075%0.74957%0.568SS**Hα-helixtrans-71.8-36.5175.8-72-65.9000112.1G58 G59 G66G58-Y62 WeakPolarHBondContact O-CD2 3.04Å; G58-Y62 PolarHBondContact O-N 3.43Å; G59-Y62 PolarHBondContact O-N 2.65Å; Y62-G66 PolarHBondContact O-N 3.11Å
63L87.9Confident82.6Confident127 Ų12792.6 Ų92.667%0.66555%0.552SS**Hα-helixtrans-64.8-41173.2-68.9173000111.3G59 G66 M67G59-L63 WeakPolarHBondContact O-CB 3.48Å; G59-L63 WeakPolarHBondContact O-CG 3.48Å; G59-L63 PolarHBondContact O-N 3.27Å; L63-G66 PolarHBondContact O-N 3.16Å; L63-M67 WeakPolarHBondContact O-CB 3.21Å; L63-M67 WeakPolarHBondContact O-CG 3.44Å; L63-M67 PolarHBondContact O-N 3.34Å
64S88.9Confident84.4Confident58 Ų5887.9 Ų87.941%0.40654%0.537SS..Hα-helixtrans-66.5-43.1176.767.90000112.2V60 C61 M67 V68V60-S64 WeakPolarHBondContact O-CB 3.4Å; V60-S64 PolarHBondContact O-N 2.84Å; V60-S64 PolarHBondContact O-OG 3.5Å; C61-S64 WeakPolarHBondContact CA-OG 3.27Å; C61-S64 PolarHBondContact O-N 3.35Å; C61-S64 PolarHBondContact O-OG 3.01Å; S64-M67 PolarHBondContact O-N 2.79Å; S64-V68 WeakPolarHBondContact O-CG2 3.36Å; S64-V68 PolarHBondContact O-N 3.41Å
65M91.6Very high86.2Confident128 Ų12889 Ų8963%0.63153%0.532SS*.Hα-helixtrans-64.3-41.5175.5-71.1-64.6-177.500112.2C61 M67 V68 V69C61-M65 WeakPolarHBondContact O-CB 3.36Å; C61-M65 VanDerWaalsContact O-CG 3.29Å; C61-M65 WeakPolarHBondContact O-CG 3.48Å; C61-M65 PolarHBondContact O-N 2.81Å; M65-M67 VanDerWaalsContact C-N 3.34Å; M65-M67 PolarHBondContact O-N 3.09Å; M65-V68 PolarHBondContact O-N 3.16Å; M65-V69 WeakPolarHBondContact O-CG2 3.45Å; M65-V69 PolarHBondContact O-N 3.22Å
66G92.3Very high87.8Confident34 Ų3493.1 Ų93.135%0.35153%0.533SS..Hα-helixtrans-60.8-42.2174.400000112.4Y62 L63 V68 V69 L70Y62-G66 PolarHBondContact O-N 3.11Å; L63-G66 PolarHBondContact O-N 3.16Å; G66-V68 PolarHBondContact O-N 3.2Å; G66-V69 PolarHBondContact O-N 3.24Å; G66-L70 VanDerWaalsContact O-CG 3.31Å; G66-L70 WeakPolarHBondContact O-CG 3.49Å; G66-L70 PolarHBondContact O-N 2.72Å
67M93.4Very high89Confident114 Ų11491.2 Ų91.256%0.56252%0.522SS*.Hα-helixtrans-63.2-40.5174.8-72.4-66.4-73.700112.1L63 S64 M65 L70 L71L63-M67 WeakPolarHBondContact O-CB 3.21Å; L63-M67 WeakPolarHBondContact O-CG 3.44Å; L63-M67 PolarHBondContact O-N 3.34Å; S64-M67 PolarHBondContact O-N 2.79Å; M65-M67 VanDerWaalsContact C-N 3.34Å; M65-M67 PolarHBondContact O-N 3.09Å; M67-L70 PolarHBondContact O-N 2.74Å; M67-L71 WeakPolarHBondContact O-CB 3.31Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.19Å
68V95.1Very high90.1Very high74 Ų7489 Ų8945%0.44851%0.512SS..Hα-helixtrans-63.1-44.3176.6172.20000111.3S64 M65 G66 L70 L71 M72S64-V68 WeakPolarHBondContact O-CG2 3.36Å; S64-V68 PolarHBondContact O-N 3.41Å; M65-V68 PolarHBondContact O-N 3.16Å; G66-V68 PolarHBondContact O-N 3.2Å; V68-L70 PolarHBondContact O-N 2.91Å; V68-L71 PolarHBondContact O-N 3.23Å; V68-M72 VanDerWaalsContact O-CG 3.32Å; V68-M72 WeakPolarHBondContact O-CG 3.32Å; V68-M72 PolarHBondContact O-N 2.95Å
69V95.1Very high91Very high103 Ų10390.8 Ų90.862%0.62452%0.515SS*.Hα-helixtrans-64.3-41.3178.2174.30000111.4M65 G66 M72 G73M65-V69 WeakPolarHBondContact O-CG2 3.45Å; M65-V69 PolarHBondContact O-N 3.22Å; G66-V69 PolarHBondContact O-N 3.24Å; V69-M72 PolarHBondContact O-N 3.39Å; V69-G73 PolarHBondContact O-N 3.13Å
70L95.3Very high91.5Very high112 Ų11297 Ų9759%0.58653%0.531SS*.Hα-helixtrans-63.2-43.5175.6-72.9172.3000112G66 M67 V68 G73 L74G66-L70 VanDerWaalsContact O-CG 3.31Å; G66-L70 WeakPolarHBondContact O-CG 3.49Å; G66-L70 PolarHBondContact O-N 2.72Å; M67-L70 PolarHBondContact O-N 2.74Å; V68-L70 PolarHBondContact O-N 2.91Å; L70-G73 PolarHBondContact O-N 3.37Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.86Å
71L94.6Very high91.6Very high102 Ų10297.2 Ų97.253%0.53453%0.528SS..Hα-helixtrans-63-43177-72170.9000111.4M67 V68 L74 V75M67-L71 WeakPolarHBondContact O-CB 3.31Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.19Å; V68-L71 PolarHBondContact O-N 3.23Å; L71-L74 PolarHBondContact O-N 2.89Å; L71-V75 WeakPolarHBondContact O-CG2 3.22Å; L71-V75 PolarHBondContact O-N 3.09Å
72M95.4Very high91.6Very high110 Ų110100.2 Ų100.254%0.54253%0.531SS..Hα-helixtrans-61.9-44.9174.5-69.4-61.9178.700111.2V68 V69 L74 V75 F76V68-M72 VanDerWaalsContact O-CG 3.32Å; V68-M72 WeakPolarHBondContact O-CG 3.32Å; V68-M72 PolarHBondContact O-N 2.95Å; V69-M72 PolarHBondContact O-N 3.39Å; M72-L74 VanDerWaalsContact C-N 3.34Å; M72-L74 PolarHBondContact O-N 3.18Å; M72-V75 PolarHBondContact O-N 3.47Å; M72-F76 WeakPolarHBondContact O-CD2 3.36Å; M72-F76 PolarHBondContact O-N 3.18Å
73G95.1Very high91.2Very high40 Ų4099 Ų9941%0.41253%0.525SS..Hα-helixtrans-58.4-41.9175.200000113.2V69 L70 F76 A77V69-G73 PolarHBondContact O-N 3.13Å; L70-G73 PolarHBondContact O-N 3.37Å; G73-F76 PolarHBondContact O-N 3.28Å; G73-A77 VanDerWaalsContact O-CB 3.23Å; G73-A77 WeakPolarHBondContact O-CB 3.17Å; G73-A77 PolarHBondContact O-N 3.41Å
74L95.2Very high90.7Very high115 Ų115100.5 Ų100.560%0.60252%0.523SS*.Hα-helixtrans-66.1-37.6175.4-73.6171.9000112.3L70 L71 M72 S78L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.86Å; L71-L74 PolarHBondContact O-N 2.89Å; M72-L74 VanDerWaalsContact C-N 3.34Å; M72-L74 PolarHBondContact O-N 3.18Å; L74-S78 WeakPolarHBondContact O-CB 3.26Å; L74-S78 PolarHBondContact O-N 3.43Å; L74-S78 PolarHBondContact O-OG 3.03Å
75V94.6Very high89.7Confident80 Ų80103.7 Ų103.749%0.48553%0.53SS..Hα-helixtrans-66.3-46.1175.1173.30000110.3L71 M72 S78 V79L71-V75 WeakPolarHBondContact O-CG2 3.22Å; L71-V75 PolarHBondContact O-N 3.09Å; M72-V75 PolarHBondContact O-N 3.47Å; V75-S78 WeakPolarHBondContact CA-OG 3.03Å; V75-S78 PolarHBondContact O-N 3.31Å; V75-S78 PolarHBondContact O-OG 3.31Å; V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CB 3.44Å; V75-V79 VanDerWaalsContact O-CG2 3.25Å; V75-V79 WeakPolarHBondContact O-CG2 3.22Å; V75-V79 PolarHBondContact O-N 2.87Å
76F92.4Very high88.3Confident147 Ų147103.3 Ų103.365%0.64553%0.525SS*.Hα-helixtrans-66.4-41.2177.5-76.1-69.6000112.7M72 G73 V79 Y80M72-F76 WeakPolarHBondContact O-CD2 3.36Å; M72-F76 PolarHBondContact O-N 3.18Å; G73-F76 PolarHBondContact O-N 3.28Å; F76-V79 PolarHBondContact O-N 3.28Å; F76-Y80 WeakPolarHBondContact O-CB 3.08Å; F76-Y80 PolarHBondContact O-N 2.87Å
77A91.5Very high86.7Confident45 Ų45105.5 Ų105.537%0.37253%0.528SS..Hα-helixtrans-64.9-42.1175.300000111.6G73 Y80 I81G73-A77 VanDerWaalsContact O-CB 3.23Å; G73-A77 WeakPolarHBondContact O-CB 3.17Å; G73-A77 PolarHBondContact O-N 3.41Å; A77-Y80 PolarHBondContact O-N 3.12Å; A77-I81 VanDerWaalsContact O-CB 3.31Å; A77-I81 WeakPolarHBondContact O-CB 3.44Å; A77-I81 WeakPolarHBondContact O-CD1 3.35Å; A77-I81 WeakPolarHBondContact O-CG1 3.14Å; A77-I81 PolarHBondContact O-N 3.39Å
78S91Very high84.9Confident65 Ų65102.8 Ų102.846%0.45552%0.524SS..Hα-helixtrans-66.8-41.8176.862.40000111.6L74 V75 Y82L74-S78 WeakPolarHBondContact O-CB 3.26Å; L74-S78 PolarHBondContact O-N 3.43Å; L74-S78 PolarHBondContact O-OG 3.03Å; V75-S78 WeakPolarHBondContact CA-OG 3.03Å; V75-S78 PolarHBondContact O-N 3.31Å; V75-S78 PolarHBondContact O-OG 3.31Å; S78-Y82 WeakPolarHBondContact O-CA 3.4Å; S78-Y82 WeakPolarHBondContact O-CB 3.48Å; S78-Y82 PolarHBondContact O-N 2.92Å
79V90.5Very high82.7Confident74 Ų74102.9 Ų102.945%0.44852%0.519SS..Hα-helixtrans-64.3-40.9172.9172.50000111V75 F76 Y82 R83V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CB 3.44Å; V75-V79 VanDerWaalsContact O-CG2 3.25Å; V75-V79 WeakPolarHBondContact O-CG2 3.22Å; V75-V79 PolarHBondContact O-N 2.87Å; F76-V79 PolarHBondContact O-N 3.28Å; V79-Y82 PolarHBondContact O-N 3.26Å; V79-R83 HydrophobicContact CG1-CG 4.09Å; V79-R83 VanDerWaalsContact O-CB 3.24Å; V79-R83 WeakPolarHBondContact O-CB 3.24Å; V79-R83 WeakPolarHBondContact O-CG 2.98Å; V79-R83 PolarHBondContact O-N 3.11Å
80Y87.7Confident80.7Confident158 Ų158102.5 Ų102.562%0.6251%0.513SS*.Hα-helixtrans-65.8-46.1178.3-177.1-97.3000111.6F76 A77 Y82 R83 Y84F76-Y80 WeakPolarHBondContact O-CB 3.08Å; F76-Y80 PolarHBondContact O-N 2.87Å; A77-Y80 PolarHBondContact O-N 3.12Å; Y80-Y82 VanDerWaalsContact C-N 3.33Å; Y80-R83 PolarHBondContact O-N 3.24Å; Y80-Y84 WeakPolarHBondContact O-CB 3.25Å; Y80-Y84 PolarHBondContact O-N 2.84Å
81I85.4Confident78.3Confident100 Ų100100 Ų10051%0.51351%0.509SS..Hα-helixtrans-66.9-36.4175-65.5165.1000110.3A77 F85 F86A77-I81 VanDerWaalsContact O-CB 3.31Å; A77-I81 WeakPolarHBondContact O-CB 3.44Å; A77-I81 WeakPolarHBondContact O-CD1 3.35Å; A77-I81 WeakPolarHBondContact O-CG1 3.14Å; A77-I81 PolarHBondContact O-N 3.39Å; I81-F85 HydrophobicContact CG2-CB 4.15Å; I81-F85 VanDerWaalsContact O-CA 3.26Å; I81-F85 WeakPolarHBondContact O-CA 3.49Å; I81-F85 WeakPolarHBondContact O-CB 3.36Å; I81-F85 PolarHBondContact O-N 3.28Å; I81-F86 PolarHBondContact O-N 3.21Å
82Y82.3Confident75.8Confident128 Ų128101.1 Ų101.150%0.50251%0.506SS..Iπ-helixtrans-69.5-39.9176.9-175.2-95.4000111.7S78 V79 Y80 F86 L87S78-Y82 WeakPolarHBondContact O-CA 3.4Å; S78-Y82 WeakPolarHBondContact O-CB 3.48Å; S78-Y82 PolarHBondContact O-N 2.92Å; V79-Y82 PolarHBondContact O-N 3.26Å; Y80-Y82 VanDerWaalsContact C-N 3.33Å; Y82-F86 HydrophobicContact CD2-CB 3.61Å; Y82-F86 HydrophobicContact CD2-CD1 4.27Å; Y82-F86 AromaticContact CD2-CD2 3.92Å; Y82-F86 HydrophobicContact CD2-CD2 3.92Å; Y82-F86 AromaticContact CD2-CG 3.7Å; Y82-F86 HydrophobicContact CD2-CG 3.7Å; Y82-F86 HydrophobicContact CE2-CB 3.86Å; Y82-F86 AromaticContact CE2-CD1 3.93Å; Y82-F86 HydrophobicContact CE2-CD1 3.93Å; Y82-F86 HydrophobicContact CE2-CD2 4.37Å; Y82-F86 AromaticContact CE2-CG 3.82Å; Y82-F86 HydrophobicContact CE2-CG 3.82Å; Y82-F86 HydrophobicContact CG-CB 4.01Å; Y82-F86 CarbonylContact O-C 3.42Å; Y82-F86 WeakPolarHBondContact O-CA 3.25Å; Y82-F86 WeakPolarHBondContact O-CB 3.17Å; Y82-F86 PolarHBondContact O-N 2.87Å; Y82-L87 PolarHBondContact O-N 3.48Å
83R79.6Confident73.2Confident165 Ų16598.9 Ų98.962%0.62350%0.496SS*.Iπ-helixtrans-72.5-42.8176.2-72.1-69-165.5144.5-0.8111.8V79 Y80 L87V79-R83 HydrophobicContact CG1-CG 4.09Å; V79-R83 VanDerWaalsContact O-CB 3.24Å; V79-R83 WeakPolarHBondContact O-CB 3.24Å; V79-R83 WeakPolarHBondContact O-CG 2.98Å; V79-R83 PolarHBondContact O-N 3.11Å; Y80-R83 PolarHBondContact O-N 3.24Å; R83-L87 HydrophobicContact CB-CD1 4.31Å; R83-L87 HydrophobicContact CG-CD1 4.33Å; R83-L87 VanDerWaalsContact O-CB 3.26Å; R83-L87 WeakPolarHBondContact O-CB 3.26Å
84Y77.2Confident70.6Confident158 Ų158100.7 Ų100.762%0.6250%0.496SS*.Iπ-helixtrans-82.5-46.1-175.1-173.5-95000112.2Y80 A88Y80-Y84 WeakPolarHBondContact O-CB 3.25Å; Y80-Y84 PolarHBondContact O-N 2.84Å; Y84-A88 WeakPolarHBondContact O-CB 3.41Å
85F68.8Low67.9Low126 Ų12698.9 Ų98.955%0.55348%0.484SS*.Iπ-helixtrans-87.3-54.2179.5-141.8-92.4000110I81 Q89I81-F85 HydrophobicContact CG2-CB 4.15Å; I81-F85 VanDerWaalsContact O-CA 3.26Å; I81-F85 WeakPolarHBondContact O-CA 3.49Å; I81-F85 WeakPolarHBondContact O-CB 3.36Å; I81-F85 PolarHBondContact O-N 3.28Å; F85-Q89 WeakPolarHBondContact O-CA 3.18Å; F85-Q89 WeakPolarHBondContact O-CB 3.03Å; F85-Q89 PolarHBondContact O-N 3.42Å
86F61.3Low65Low120 Ų120103.4 Ų103.453%0.52650%0.497SS..Iπ-helixtrans-70.3-40-175.9-102.7-95000114.7I81 Y82 L90I81-F86 PolarHBondContact O-N 3.21Å; Y82-F86 HydrophobicContact CD2-CB 3.61Å; Y82-F86 HydrophobicContact CD2-CD1 4.27Å; Y82-F86 AromaticContact CD2-CD2 3.92Å; Y82-F86 HydrophobicContact CD2-CD2 3.92Å; Y82-F86 AromaticContact CD2-CG 3.7Å; Y82-F86 HydrophobicContact CD2-CG 3.7Å; Y82-F86 HydrophobicContact CE2-CB 3.86Å; Y82-F86 AromaticContact CE2-CD1 3.93Å; Y82-F86 HydrophobicContact CE2-CD1 3.93Å; Y82-F86 HydrophobicContact CE2-CD2 4.37Å; Y82-F86 AromaticContact CE2-CG 3.82Å; Y82-F86 HydrophobicContact CE2-CG 3.82Å; Y82-F86 HydrophobicContact CG-CB 4.01Å; Y82-F86 CarbonylContact O-C 3.42Å; Y82-F86 WeakPolarHBondContact O-CA 3.25Å; Y82-F86 WeakPolarHBondContact O-CB 3.17Å; Y82-F86 PolarHBondContact O-N 2.87Å; F86-L90 VanDerWaalsContact O-CB 3.25Å; F86-L90 WeakPolarHBondContact O-CB 3.44Å; F86-L90 PolarHBondContact O-N 2.89Å
87L59.4Low62.1Low80 Ų80103.1 Ų103.142%0.41950%0.497SS..Hα-helixtrans-74.1-37.2175.7-65.7168.9000112.7Y82 R83 Q89 L90 A91Y82-L87 PolarHBondContact O-N 3.48Å; R83-L87 HydrophobicContact CB-CD1 4.31Å; R83-L87 HydrophobicContact CG-CD1 4.33Å; R83-L87 VanDerWaalsContact O-CB 3.26Å; R83-L87 WeakPolarHBondContact O-CB 3.26Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-L90 PolarHBondContact O-N 2.02Å; L87-A91 PolarHBondContact O-N 3.23Å
88A55.8Low59.3Low57 Ų57106.1 Ų106.147%0.47152%0.515SS..Hα-helixtrans-70.1-33.6174.400000111.3Y84 R92Y84-A88 WeakPolarHBondContact O-CB 3.41Å; A88-R92 WeakPolarHBondContact O-CB 2.96Å; A88-R92 PolarHBondContact O-N 2.97Å; A88-R92 VanDerWaalsContact O-N 3.16Å
89Q49.2Very low56.5Low76 Ų76106.8 Ų106.836%0.35553%0.532SS..Hα-helixtrans-74.3-33.6173.5-163.871.32000111.5F85 L87 A91 R92 D93F85-Q89 WeakPolarHBondContact O-CA 3.18Å; F85-Q89 WeakPolarHBondContact O-CB 3.03Å; F85-Q89 PolarHBondContact O-N 3.42Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; Q89-A91 VanDerWaalsContact C-N 3.33Å; Q89-R92 CarbonylContact O-C 3.46Å; Q89-R92 WeakPolarHBondContact O-CA 3.47Å; Q89-R92 WeakPolarHBondContact O-CB 3.38Å; Q89-R92 PolarHBondContact O-N 3.12Å; Q89-D93 WeakPolarHBondContact CG-OD2 3.33Å; Q89-D93 PolarHBondContact NE2-OD2 3.36Å; Q89-D93 WeakPolarHBondContact O-CB 3.38Å; Q89-D93 PolarHBondContact O-N 3.23Å
90L52.3Low53.7Low95 Ų95108.7 Ų108.750%0.49754%0.544SS..Hα-helixtrans-65-37.5171.2-121.9127.4000111.5F86 L87 R92 D93 N94F86-L90 VanDerWaalsContact O-CB 3.25Å; F86-L90 WeakPolarHBondContact O-CB 3.44Å; F86-L90 PolarHBondContact O-N 2.89Å; L87-L90 PolarHBondContact O-N 2.02Å; L90-R92 PolarHBondContact O-N 3.01Å; L90-D93 CarbonylContact O-C 3.34Å; L90-N94 PolarHBondContact O-N 2.76Å; L90-N94 PolarHBondContact O-OD1 3.08Å
91A44.1Very low50.9Low60 Ų60108.5 Ų108.550%0.49655%0.552SS.*Hα-helixtrans-69.4-19.8171.900000113.1L87 Q89 N94L87-A91 PolarHBondContact O-N 3.23Å; Q89-A91 VanDerWaalsContact C-N 3.33Å; A91-N94 PolarHBondContact O-ND2 3.37Å
92R42Very low48.3Very low125 Ų125112.6 Ų112.647%0.47256%0.563SS.*Hα-helixtrans-91.7-34.1176.1-93.9-94.2176.8114.1-4.2113.2A88 Q89 L90 E125A88-R92 WeakPolarHBondContact O-CB 2.96Å; A88-R92 PolarHBondContact O-N 2.97Å; A88-R92 VanDerWaalsContact O-N 3.16Å; Q89-R92 CarbonylContact O-C 3.46Å; Q89-R92 WeakPolarHBondContact O-CA 3.47Å; Q89-R92 WeakPolarHBondContact O-CB 3.38Å; Q89-R92 PolarHBondContact O-N 3.12Å; L90-R92 PolarHBondContact O-N 3.01Å; R92-E125 WeakPolarHBondContact CD-OE2 2.85Å; R92-E125 IonicContact CZ-OE1 3.43Å; R92-E125 IonicContact CZ-OE2 3.53Å; R92-E125 IonicContact NE-OE1 2.84Å; R92-E125 PolarHBondContact NE-OE1 3.05Å; R92-E125 IonicContact NE-OE2 3.89Å; R92-E125 PolarHBondContact NE-OE2 3.23Å; R92-E125 IonicContact NH2-OE1 2.76Å; R92-E125 PolarHBondContact NH2-OE1 3.41Å; R92-E125 IonicContact NH2-OE2 3.24Å
93D41.6Very low45.8Very low63 Ų63115.5 Ų115.534%0.33758%0.581SS.*  trans-109.652.3177.7-70.3-42.9000108.6Q89 L90 F95Q89-D93 WeakPolarHBondContact CG-OD2 3.33Å; Q89-D93 PolarHBondContact NE2-OD2 3.36Å; Q89-D93 WeakPolarHBondContact O-CB 3.38Å; Q89-D93 PolarHBondContact O-N 3.23Å; L90-D93 CarbonylContact O-C 3.34Å; D93-F95 HydrophobicContact CB-CD2 4.34Å; D93-F95 PolarHBondContact O-N 3.09Å
94N39.9Very low43.5Very low77 Ų77111.7 Ų111.741%0.41257%0.573SS.*  trans-68.977.3166.9-65.6-58.4000108.5L90 A91 F96L90-N94 PolarHBondContact O-N 2.76Å; L90-N94 PolarHBondContact O-OD1 3.08Å; A91-N94 PolarHBondContact O-ND2 3.37Å; N94-F96 VanDerWaalsContact C-N 3.34Å; N94-F96 HydrophobicContact CB-CD2 3.97Å; N94-F96 HydrophobicContact CB-CE2 3.42Å; N94-F96 VanDerWaalsContact CB-CE2 3.42Å; N94-F96 HydrophobicContact CB-CZ 3.9Å; N94-F96 WeakPolarHBondContact O-CD2 3.49Å; N94-F96 PolarHBondContact O-N 2.82Å
95F38.6Very low41.7Very low78 Ų78109.7 Ų109.734%0.34258%0.582SS.*  trans-69.694.2164-90.7-94.1000107.8D93 H97 D119 K121D93-F95 HydrophobicContact CB-CD2 4.34Å; D93-F95 PolarHBondContact O-N 3.09Å; F95-H97 PolarHBondContact O-N 3.09Å; F95-D119 HydrophobicContact CE1-CB 3.98Å; F95-K121 HydrophobicContact CE1-CG 4.34Å; F95-K121 HydrophobicContact CE2-CG 4.09Å; F95-K121 HydrophobicContact CZ-CD 4.19Å; F95-K121 HydrophobicContact CZ-CG 3.59Å
96F35.1Very low40.6Very low175 Ų175111.2 Ų111.277%0.76860%0.595SS**  trans-79.999.7168-65.6-77.8000108.2N94 C98N94-F96 VanDerWaalsContact C-N 3.34Å; N94-F96 HydrophobicContact CB-CD2 3.97Å; N94-F96 HydrophobicContact CB-CE2 3.42Å; N94-F96 VanDerWaalsContact CB-CE2 3.42Å; N94-F96 HydrophobicContact CB-CZ 3.9Å; N94-F96 WeakPolarHBondContact O-CD2 3.49Å; N94-F96 PolarHBondContact O-N 2.82Å; F96-C98 PolarHBondContact O-N 2.91Å; F96-C98 VanDerWaalsContact O-N 3.09Å
97H31.1Very low39.8Very low140 Ų140109.1 Ų109.165%0.64860%0.595SS**  trans-71.899.1166.5-67.9-68.2000108.6F95 D119F95-H97 PolarHBondContact O-N 3.09Å; H97-D119 IonicContact CE1-OD1 3.53Å
98C32.3Very low38.7Very low108 Ų108110.5 Ų110.573%0.7361%0.612SS**  trans-108.992.3168.8-1580000108F96 V100F96-C98 PolarHBondContact O-N 2.91Å; F96-C98 VanDerWaalsContact O-N 3.09Å; C98-V100 PolarHBondContact O-N 2.81Å
99G32.8Very low38.2Very low80 Ų80116.2 Ų116.283%0.82563%0.629SS**  trans-73.5113.3168.400000108.9
100V30.2Very low37.9Very low114 Ų114119.3 Ų119.369%0.69165%0.646SS**  trans-94.8108.2173.4-176.70000107.9C98 Y102C98-V100 PolarHBondContact O-N 2.81Å; V100-Y102 PolarHBondContact O-N 2.84Å
101L30.7Very low37.4Very low153 Ų153126.9 Ų126.980%0.80167%0.668SS**  trans-72.7105.8171.7-118.6149.6000108.2
102Y29.6Very low37.1Very low187 Ų187129 Ų12973%0.73368%0.675SS**  trans-9398.2179.7-147.3-89.8000109.4V100 D104V100-Y102 PolarHBondContact O-N 2.84Å; Y102-D104 HydrophobicContact CD1-CB 4.44Å
103E31.1Very low36.7Very low188 Ų188132.8 Ų132.888%0.87969%0.689SS**  trans-87.6102.8163.4-95.6-159.9151.700109.1
104D31.3Very low36.6Very low85 Ų85136.4 Ų136.446%0.45571%0.708SS.*  trans-79.7114.4166.1-109-31.7000108.9Y102 L106 S107Y102-D104 HydrophobicContact CD1-CB 4.44Å; D104-L106 PolarHBondContact O-N 3.27Å; D104-S107 WeakPolarHBondContact CB-OG 3.46Å; D104-S107 PolarHBondContact O-N 3.05Å; D104-S107 PolarHBondContact O-OG 3.27Å
105S39.2Very low36.2Very low117 Ų117139.1 Ų139.182%0.81872%0.718SS**THydrogen-bonded Turntrans-68.22.9176.354.20000114.2
106L45.7Very low36Very low158 Ų158141.9 Ų141.983%0.82774%0.736SS**THydrogen-bonded Turntrans-105.8-8.2176.4-66.9174.4000113.5D104 S108D104-L106 PolarHBondContact O-N 3.27Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.01Å
107S42.8Very low35.9Very low75 Ų75141.6 Ų141.652%0.52474%0.737SS.*  trans-96.134.2179.252.40000112.4D104 Q109D104-S107 WeakPolarHBondContact CB-OG 3.46Å; D104-S107 PolarHBondContact O-N 3.05Å; D104-S107 PolarHBondContact O-OG 3.27Å; S107-Q109 PolarHBondContact O-N 3.35Å
108S37.5Very low36Very low110 Ų110142.1 Ų142.177%0.76974%0.739SS**THydrogen-bonded Turntrans-69.113.9-17968.70000115.2L106L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.01Å
109Q45.1Very low36.1Very low176 Ų176142.4 Ų142.482%0.82273%0.734SS**THydrogen-bonded Turntrans-138.2-11.9-172.9-154.5146.11.100117.7S107S107-Q109 PolarHBondContact O-N 3.35Å
110I42.5Very low36.2Very low141 Ų141142.5 Ų142.572%0.72372%0.718SS**  trans-132.3107.8177.5-65.7179.9000111T112I110-T112 PolarHBondContact O-N 3Å
111R41.4Very low36.4Very low255 Ų255142.9 Ų142.996%0.96271%0.711SS**  trans-66.877.4-176.4-134.5-177.9-178.9170.9-1.8111.9
112T37.7Very low36.7Very low103 Ų103141.7 Ų141.763%0.63270%0.704SS**  trans-139.689.7165.123.10000109.2I110 L114I110-T112 PolarHBondContact O-N 3Å; T112-L114 PolarHBondContact O-N 3.39Å; T112-L114 VanDerWaalsContact O-N 3.11Å
113R34.8Very low36.9Very low205 Ų205140.6 Ų140.677%0.77470%0.699SS**  trans-64.596.6167.4-179.2-179.7174.3176.5-2.6107.6E115R113-E115 IonicContact CZ-OE1 3.74Å; R113-E115 IonicContact NE-OE1 3.39Å; R113-E115 PolarHBondContact NE-OE1 3.06Å; R113-E115 IonicContact NH2-OE1 2.76Å; R113-E115 PolarHBondContact NH2-OE1 3.5Å
114L38.3Very low37.5Very low139 Ų139137.4 Ų137.473%0.72869%0.688SS**  trans-93.3102.5167.5-95.788.8000108.1T112T112-L114 PolarHBondContact O-N 3.39Å; T112-L114 VanDerWaalsContact O-N 3.11Å
115E33.1Very low38.3Very low134 Ų134138.7 Ų138.763%0.62669%0.691SS**  trans-77.6110.1158.4-86.9163.4-177.200106.5R113R113-E115 IonicContact CZ-OE1 3.74Å; R113-E115 IonicContact NE-OE1 3.39Å; R113-E115 PolarHBondContact NE-OE1 3.06Å; R113-E115 IonicContact NH2-OE1 2.76Å; R113-E115 PolarHBondContact NH2-OE1 3.5Å
116L33.6Very low38.2Very low136 Ų136141.5 Ų141.571%0.71269%0.691SS**  trans-95.8109.1174.6-160.581.6000107.8E118L116-E118 HydrophobicContact CG-CG 4.42Å
117E33.7Very low37.8Very low169 Ų169141.3 Ų141.379%0.7969%0.691SS**  trans-104.9103.8179.1-167.7158.6-178.900108.1
118E33.3Very low37.5Very low151 Ų151147.7 Ų147.771%0.70671%0.705SS**  trans-124.7123.3178.8-77.4-170.4152.100111.5L116 V120L116-E118 HydrophobicContact CG-CG 4.42Å; E118-V120 PolarHBondContact O-N 3.01Å
119D32.8Very low37.2Very low114 Ų114150.8 Ų150.861%0.6171%0.708SS**  trans-79.9108.6177.7-83.9-29.7000111.1F95 H97F95-D119 HydrophobicContact CE1-CB 3.98Å; H97-D119 IonicContact CE1-OD1 3.53Å
120V35.9Very low36.5Very low83 Ų83152.5 Ų152.550%0.50371%0.706SS.*  trans-112115.4176.5-175.50000110.8E118 T221E118-V120 PolarHBondContact O-N 3.01Å; V120-T221 HydrophobicContact CG1-CG2 4.41Å
121K33.9Very low36Very low122 Ų122151.1 Ų151.153%0.5370%0.699SS.*  trans-85.2116.2178.1-71.3-176.7177.3-1740111.5F95 Y123F95-K121 HydrophobicContact CE1-CG 4.34Å; F95-K121 HydrophobicContact CE2-CG 4.09Å; F95-K121 HydrophobicContact CZ-CD 4.19Å; F95-K121 HydrophobicContact CZ-CG 3.59Å; K121-Y123 HydrophobicContact CB-CE2 4.15Å
122I37Very low35.3Very low128 Ų128145.5 Ų145.566%0.65669%0.688SS**  trans-101.7114.1174.3-56.1173.7000108.7
123Y34.3Very low35.1Very low164 Ų164143.6 Ų143.664%0.64368%0.676SS**  trans-90.9120.3175.6-65.9-84.5000110K121K121-Y123 HydrophobicContact CB-CE2 4.15Å
124L43.6Very low34.8Very low120 Ų120139 Ų13963%0.62867%0.673SS**  trans-85.8-2.1-177.5-70.6110.5000114.4
125E47.2Very low34.6Very low113 Ų113138.4 Ų138.453%0.52868%0.675SS.*SBendtrans-88.8-6.7-168.7-101.289.2179.900117.5R92R92-E125 WeakPolarHBondContact CD-OE2 2.85Å; R92-E125 IonicContact CZ-OE1 3.43Å; R92-E125 IonicContact CZ-OE2 3.53Å; R92-E125 IonicContact NE-OE1 2.84Å; R92-E125 PolarHBondContact NE-OE1 3.05Å; R92-E125 IonicContact NE-OE2 3.89Å; R92-E125 PolarHBondContact NE-OE2 3.23Å; R92-E125 IonicContact NH2-OE1 2.76Å; R92-E125 PolarHBondContact NH2-OE1 3.41Å; R92-E125 IonicContact NH2-OE2 3.24Å
126E38.8Very low35.1Very low176 Ų176134.8 Ų134.882%0.82266%0.663SS**SBendtrans-122.7100.9-178.9-68.2-171.5174.800111.7
127N36.4Very low35.6Very low154 Ų154137.8 Ų137.882%0.82467%0.673SS**  trans4786.6156.4-64-50.2000117.3E129N127-E129 PolarHBondContact O-N 2.84Å
128Y36.5Very low36.2Very low208 Ų208135 Ų13582%0.81666%0.659SS**  trans-83108151.453.9-88.1000109.1R130Y128-R130 PolarHBondContact O-N 2.87Å
129E30.4Very low36.7Very low176 Ų176129.7 Ų129.782%0.82265%0.645SS**  trans-73.9118.2162.9-72.4-176.3174.100108.2N127 I131N127-E129 PolarHBondContact O-N 2.84Å; E129-I131 PolarHBondContact O-N 2.99Å
130R30.3Very low37Very low211 Ų211128.9 Ų128.980%0.79666%0.663SS**  trans-71.5100.4-178.7-159.3178.5-167.3-175.94.8109.1Y128 N132Y128-R130 PolarHBondContact O-N 2.87Å; R130-N132 PolarHBondContact O-N 2.78Å; R130-N132 VanDerWaalsContact O-N 3.09Å
131I33.4Very low37.4Very low113 Ų113128.1 Ų128.158%0.57967%0.672SS**  trans-77.895.7175-53.9175.6000108.5E129 V133E129-I131 PolarHBondContact O-N 2.99Å; I131-V133 VanDerWaalsContact C-N 3.33Å; I131-V133 HydrophobicContact CG2-CG2 3.65Å; I131-V133 PolarHBondContact O-N 3.49Å; I131-V133 VanDerWaalsContact O-N 3.08Å
132N26.9Very low37.5Very low137 Ų137126.3 Ų126.373%0.73367%0.668SS**  trans-74.989.3165.2-85.3-17.9000108.3R130 P134R130-N132 PolarHBondContact O-N 2.78Å; R130-N132 VanDerWaalsContact O-N 3.09Å; N132-P134 WeakPolarHBondContact O-CD 3.4Å
133V32.5Very low37.5Very low62 Ų62123.3 Ų123.338%0.37666%0.657SS.*  trans-70.7118.3169.5-174.20000107.1I131 V135 I215I131-V133 VanDerWaalsContact C-N 3.33Å; I131-V133 HydrophobicContact CG2-CG2 3.65Å; I131-V133 PolarHBondContact O-N 3.49Å; I131-V133 VanDerWaalsContact O-N 3.08Å; V133-V135 PolarHBondContact O-N 3.38Å; V133-I215 HydrophobicContact CB-CD1 4.41Å; V133-I215 HydrophobicContact CG1-CD1 3.67Å; V133-I215 HydrophobicContact CG1-CG1 4.42Å; V133-I215 HydrophobicContact CG2-CD1 3.95Å; V133-I215 HydrophobicContact CG2-CG1 4.14Å; V133-I215 HydrophobicContact CG2-CG2 4.11Å
134P28.8Very low37.8Very low108 Ų108117 Ų11770%0.70164%0.639SS**  trans-59.2128175.324.1-31.4000108.3N132 P136N132-P134 WeakPolarHBondContact O-CD 3.4Å; P134-P136 WeakPolarHBondContact O-CD 3.18Å; P134-P136 VanDerWaalsContact O-N 3.07Å
135V34.8Very low37.6Very low127 Ų127113.8 Ų113.877%0.7762%0.623SS**  trans-58.1114.9176.3-176.30000106.9V133 Q137V133-V135 PolarHBondContact O-N 3.38Å; V135-Q137 PolarHBondContact O-N 3.19Å
136P44Very low37.4Very low58 Ų58110.7 Ų110.738%0.37761%0.609SS.*  trans-57.3139.3172.7-1729.1000108P134 F138P134-P136 WeakPolarHBondContact O-CD 3.18Å; P134-P136 VanDerWaalsContact O-N 3.07Å; P136-F138 HydrophobicContact CB-CD2 4.04Å; P136-F138 HydrophobicContact CB-CE1 4.1Å; P136-F138 HydrophobicContact CB-CE2 3.57Å; P136-F138 HydrophobicContact CB-CZ 3.61Å; P136-F138 HydrophobicContact CG-CD2 4.4Å; P136-F138 HydrophobicContact CG-CE1 4.48Å; P136-F138 HydrophobicContact CG-CE2 3.51Å; P136-F138 HydrophobicContact CG-CZ 3.56Å; P136-F138 WeakPolarHBondContact O-CD2 3.11Å; P136-F138 PolarHBondContact O-N 2.74Å
137Q43.9Very low37.3Very low199 Ų199103.1 Ų103.193%0.9357%0.574SS**  trans-70.683.4175.4-65.9-178.216.600108.5V135 G139V135-Q137 PolarHBondContact O-N 3.19Å; Q137-G139 PolarHBondContact O-N 2.76Å
138F44.8Very low37.4Very low110 Ų11096.9 Ų96.948%0.48254%0.54SS..  trans-77.1121.1172.7-63.7-70.4000108.3P136 D142 A144P136-F138 HydrophobicContact CB-CD2 4.04Å; P136-F138 HydrophobicContact CB-CE1 4.1Å; P136-F138 HydrophobicContact CB-CE2 3.57Å; P136-F138 HydrophobicContact CB-CZ 3.61Å; P136-F138 HydrophobicContact CG-CD2 4.4Å; P136-F138 HydrophobicContact CG-CE1 4.48Å; P136-F138 HydrophobicContact CG-CE2 3.51Å; P136-F138 HydrophobicContact CG-CZ 3.56Å; P136-F138 WeakPolarHBondContact O-CD2 3.11Å; P136-F138 PolarHBondContact O-N 2.74Å; F138-D142 HydrophobicContact CD1-CB 4.33Å; F138-A144 HydrophobicContact CE1-CB 4.31Å
139G44.8Very low37.4Very low41 Ų4188.8 Ų88.842%0.42351%0.511SS..  trans-64.8148.7162.800000109.6Q137 G141 D142Q137-G139 PolarHBondContact O-N 2.76Å; G139-G141 PolarHBondContact O-N 3.01Å; G139-D142 WeakPolarHBondContact CA-OD2 3.14Å; G139-D142 PolarHBondContact N-OD2 2.76Å; G139-D142 PolarHBondContact O-N 3.4Å; G139-D142 VanDerWaalsContact O-N 3.11Å
140G38.6Very low37.7Very low96 Ų9682.8 Ų82.899%0.9948%0.482SS*.THydrogen-bonded Turntrans-59.4103.8173.500000110.3
141G43.4Very low38Very low67 Ų6780.2 Ų80.269%0.69148%0.479SS*.THydrogen-bonded Turntrans120.8-4.5-179.100000115.5G139 P143G139-G141 PolarHBondContact O-N 3.01Å; G141-P143 WeakPolarHBondContact O-CD 3.32Å
142D36.1Very low38Very low84 Ų8484.8 Ų84.845%0.44949%0.489SS..PPolyproline II helixtrans-71.1124.9-179.6-69.7-20.6000111.4F138 G139 A144F138-D142 HydrophobicContact CD1-CB 4.33Å; G139-D142 WeakPolarHBondContact CA-OD2 3.14Å; G139-D142 PolarHBondContact N-OD2 2.76Å; G139-D142 PolarHBondContact O-N 3.4Å; G139-D142 VanDerWaalsContact O-N 3.11Å; D142-A144 PolarHBondContact O-N 2.97Å
143P38.8Very low38.5Very low65 Ų6590.9 Ų90.942%0.42250%0.502SS..PPolyproline II helixtrans-72.6127.2174.429-31.7000109.8G141G141-P143 WeakPolarHBondContact O-CD 3.32Å
144A39.3Very low38.6Very low31 Ų3190.7 Ų90.726%0.25651%0.512SS..EExtended strand (participates in β ladder)trans-103.2125.6172.200000109.6F138 D142 M167F138-A144 HydrophobicContact CE1-CB 4.31Å; D142-A144 PolarHBondContact O-N 2.97Å; A144-M167 PolarHBondContact O-N 2.82Å
145D38.8Very low39.1Very low54 Ų5491.6 Ų91.629%0.28952%0.516SS..EExtended strand (participates in β ladder)trans-93.6117.6173.4-164.518.4000108.2Q164D145-Q164 PolarHBondContact OD2-NE2 3.36Å
146I43Very low39.1Very low48 Ų4896 Ų9625%0.24652%0.52CS..EExtended strand (participates in β ladder)trans-106.8117.9178-57.1179000107.4E165 M167 T226I146-E165 PolarHBondContact N-O 3.42Å; I146-E165 PolarHBondContact O-N 2.92Å; I146-E165 VanDerWaalsContact O-N 3.13Å; I146-M167 HydrophobicContact CD1-CB 4.48Å; I146-M167 HydrophobicContact CD1-CG 4.18Å; I146-T226 HydrophobicContact CG2-CG2 3.74Å
147I38.6Very low38.4Very low16 Ų16100.5 Ų100.58%0.08254%0.541CS..EExtended strand (participates in β ladder)trans-104.4124.8-179.3-74.5167.6000109.2I162 Q164 T226I147-I162 HydrophobicContact CB-CG2 4.4Å; I147-I162 HydrophobicContact CD1-CG2 4.44Å; I147-I162 HydrophobicContact CG1-CG2 4.21Å; I147-I162 HydrophobicContact CG2-CG2 3.41Å; I147-I162 VanDerWaalsContact CG2-CG2 3.41Å; I147-Q164 HydrophobicContact CD1-CG 4.25Å; I147-Q164 HydrophobicContact CG1-CG 3.84Å; I147-T226 VanDerWaalsContact O-CA 3.22Å; I147-T226 WeakPolarHBondContact O-CA 3.42Å; I147-T226 WeakPolarHBondContact O-CB 3.48Å; I147-T226 WeakPolarHBondContact O-CG2 3.31Å; I147-T226 PolarHBondContact O-OG1 3.44Å
148H37.4Very low37.9Very low24 Ų2495.8 Ų95.811%0.11153%0.527CS..EExtended strand (participates in β ladder)trans-99.9119.2171.7-62.1-112.9000109.2F150 I163 E219 V224H148-F150 HydrophobicContact CB-CD2 4.27Å; H148-F150 HydrophobicContact CB-CE2 3.58Å; H148-F150 HydrophobicContact CB-CZ 4.02Å; H148-I163 PolarHBondContact N-O 2.78Å; H148-E219 IonicContact CE1-OE1 3.48Å; H148-E219 IonicContact CE1-OE2 3.81Å; H148-E219 PolarHBondContact CE1-OE2 2.75Å; H148-E219 IonicContact ND1-OE1 3.61Å; H148-E219 IonicContact ND1-OE2 2.99Å; H148-E219 PolarHBondContact ND1-OE2 3.34Å; H148-V224 HydrophobicContact CB-CG1 4.5Å
149D36.2Very low37.1Very low37 Ų3798.5 Ų98.520%0.19854%0.541CS..EExtended strand (participates in β ladder)trans-99.2106.9172.1-166.2-2.7000110E225D149-E225 PolarHBondContact N-O 3.44Å
150F36.9Very low36.7Very low51 Ų5199.7 Ų99.722%0.22454%0.54CS..  trans-92.9100.6176.9-64.6-85000110H148 R152 Y161 I163 F222H148-F150 HydrophobicContact CB-CD2 4.27Å; H148-F150 HydrophobicContact CB-CE2 3.58Å; H148-F150 HydrophobicContact CB-CZ 4.02Å; F150-R152 PolarHBondContact O-N 2.69Å; F150-Y161 HydrophobicContact CB-CE2 4.21Å; F150-Y161 AromaticContact CD2-CE2 3.9Å; F150-Y161 HydrophobicContact CD2-CE2 3.9Å; F150-Y161 HydrophobicContact CG-CE2 4.33Å; F150-I163 HydrophobicContact CD2-CD1 4.4Å; F150-I163 HydrophobicContact CE2-CD1 3.99Å; F150-F222 AromaticContact CD1-CE2 3.94Å; F150-F222 HydrophobicContact CD1-CE2 3.94Å; F150-F222 AromaticContact CE1-CE2 3.61Å; F150-F222 HydrophobicContact CE1-CE2 3.61Å; F150-F222 AromaticContact CE1-CZ 3.98Å; F150-F222 HydrophobicContact CE1-CZ 3.98Å
151Q35.9Very low36.4Very low156 Ų156100 Ų10073%0.72951%0.513SS*.  trans-90.194175.2-154.8163.537.500111R153Q151-R153 PolarHBondContact O-N 3.06Å
152R34.5Very low36.1Very low210 Ų21099.3 Ų99.379%0.79249%0.492SS*.  trans-71.3119.6169.1-87.9-170.8173.9-138.6-0.9110.3F150 G154F150-R152 PolarHBondContact O-N 2.69Å; R152-G154 PolarHBondContact O-N 2.73Å
153R36.4Very low36.3Very low264 Ų26497.3 Ų97.3100%0.99648%0.481SS*.  trans-81.286.6165.2-113-175.1171.8-140.60.1109.3Q151Q151-R153 PolarHBondContact O-N 3.06Å
154G34.8Very low36.4Very low58 Ų5896.2 Ų96.260%0.59847%0.47SS*.  trans-130.7138.2168.100000109.3R152R152-G154 PolarHBondContact O-N 2.73Å
155T39.5Very low36.9Very low127 Ų12796.9 Ų96.978%0.77947%0.468SS*.SBendtrans-63.4137.317742.20000109.6
156Y35.7Very low37.2Very low219 Ų21997.6 Ų97.686%0.85947%0.47SS*.SBendtrans80.991.2-179.7-50.3-80.4000115.2
157L28.6Very low37.5Very low154 Ų15497.4 Ų97.481%0.80647%0.468SS*.  trans73.4109.6168-69.1149.6000116.8Q159L157-Q159 PolarHBondContact O-N 3.16Å
158P32.9Very low38.1Very low99 Ų9998.9 Ų98.964%0.64348%0.478SS*.  trans-7398.4173.530.3-31.5000109.6T160P158-T160 VanDerWaalsContact C-N 3.28Å; P158-T160 PolarHBondContact O-N 2.84Å
159Q29.6Very low38.8Very low168 Ų168101.2 Ų101.279%0.78549%0.494SS*.  trans-72.691.1161-69.7-168.1-0.700108L157 Y161L157-Q159 PolarHBondContact O-N 3.16Å; Q159-Y161 WeakPolarHBondContact O-CD1 3.4Å; Q159-Y161 PolarHBondContact O-N 2.87Å
160T36Very low40.1Very low66 Ų66102.8 Ų102.841%0.40551%0.505SS..  trans-79103.2168.941.80000107.4P158P158-T160 VanDerWaalsContact C-N 3.28Å; P158-T160 PolarHBondContact O-N 2.84Å
161Y31.6Very low40.9Very low103 Ų103105 Ų10540%0.40452%0.516SS..  trans-104.7118.8170.553.5-89.2000108.5F150 Q159 I163F150-Y161 HydrophobicContact CB-CE2 4.21Å; F150-Y161 AromaticContact CD2-CE2 3.9Å; F150-Y161 HydrophobicContact CD2-CE2 3.9Å; F150-Y161 HydrophobicContact CG-CE2 4.33Å; Q159-Y161 WeakPolarHBondContact O-CD1 3.4Å; Q159-Y161 PolarHBondContact O-N 2.87Å; Y161-I163 HydrophobicContact CD2-CD1 4.11Å; Y161-I163 HydrophobicContact CD2-CG1 4Å; Y161-I163 HydrophobicContact CE2-CD1 4.13Å; Y161-I163 HydrophobicContact CE2-CG1 4.49Å
162I36.7Very low42.4Very low52 Ų52101.2 Ų101.227%0.26750%0.498SS..EExtended strand (participates in β ladder)trans-89.6116.7176.2-64.7-178.8000106.5I147 Q164I147-I162 HydrophobicContact CB-CG2 4.4Å; I147-I162 HydrophobicContact CD1-CG2 4.44Å; I147-I162 HydrophobicContact CG1-CG2 4.21Å; I147-I162 HydrophobicContact CG2-CG2 3.41Å; I147-I162 VanDerWaalsContact CG2-CG2 3.41Å; I162-Q164 HydrophobicContact CG2-CG 4.33Å
163I41.6Very low44Very low41 Ų4192.5 Ų92.521%0.2147%0.468CS..EExtended strand (participates in β ladder)trans-94.9113.3172.9-53.8-177.4000107.3H148 F150 Y161 E165H148-I163 PolarHBondContact N-O 2.78Å; F150-I163 HydrophobicContact CD2-CD1 4.4Å; F150-I163 HydrophobicContact CE2-CD1 3.99Å; Y161-I163 HydrophobicContact CD2-CD1 4.11Å; Y161-I163 HydrophobicContact CD2-CG1 4Å; Y161-I163 HydrophobicContact CE2-CD1 4.13Å; Y161-I163 HydrophobicContact CE2-CG1 4.49Å; I163-E165 HydrophobicContact CG2-CG 3.94Å
164Q40.9Very low45.5Very low42 Ų4290.6 Ų90.620%0.19646%0.461CS..EExtended strand (participates in β ladder)trans-90118.2172.3-72.5-175.3-64.200109.5D145 I147 I162D145-Q164 PolarHBondContact OD2-NE2 3.36Å; I147-Q164 HydrophobicContact CD1-CG 4.25Å; I147-Q164 HydrophobicContact CG1-CG 3.84Å; I162-Q164 HydrophobicContact CG2-CG 4.33Å
165E48.5Very low47.4Very low45 Ų4592.3 Ų92.321%0.2146%0.456CS..EExtended strand (participates in β ladder)trans-116.7113.4173.5-52.1-149.6147.600110.3I146 I163 M167 R197I146-E165 PolarHBondContact N-O 3.42Å; I146-E165 PolarHBondContact O-N 2.92Å; I146-E165 VanDerWaalsContact O-N 3.13Å; I163-E165 HydrophobicContact CG2-CG 3.94Å; E165-M167 PolarHBondContact O-N 3.4Å; E165-R197 IonicContact OE1-CZ 3.7Å; E165-R197 IonicContact OE1-NH1 2.78Å; E165-R197 PolarHBondContact OE1-NH1 3.47Å; E165-R197 IonicContact OE1-NH2 2.87Å; E165-R197 PolarHBondContact OE1-NH2 3.17Å; E165-R197 IonicContact OE2-CZ 3.92Å; E165-R197 IonicContact OE2-NH1 3.55Å; E165-R197 PolarHBondContact OE2-NH1 2.96Å; E165-R197 IonicContact OE2-NH2 3.12Å
166E46.4Very low48.8Very low70 Ų7087.6 Ų87.633%0.32743%0.425SS..EExtended strand (participates in β ladder)trans-79.7114.9175.2-169.6-179174.700109.2R198E166-R198 HydrophobicContact CB-CB 4.21Å; E166-R198 HydrophobicContact CG-CB 4.02Å; E166-R198 PolarHBondContact O-N 2.84Å; E166-R198 WeakPolarHBondContact OE1-CD 3.34Å; E166-R198 IonicContact OE1-CZ 2.85Å; E166-R198 IonicContact OE1-NE 3.67Å; E166-R198 IonicContact OE1-NH1 3.66Å; E166-R198 PolarHBondContact OE1-NH1 3.24Å
167M49.2Very low50.5Low43 Ų4382.5 Ų82.521%0.21241%0.409CS..EExtended strand (participates in β ladder)trans-110137.8178.6-62.9-63.9-82.700110A144 I146 E165 L195 R197A144-M167 PolarHBondContact O-N 2.82Å; I146-M167 HydrophobicContact CD1-CB 4.48Å; I146-M167 HydrophobicContact CD1-CG 4.18Å; E165-M167 PolarHBondContact O-N 3.4Å; M167-L195 HydrophobicContact CE-CB 3.84Å; M167-R197 VanDerWaalsContact SD-CA 3.52Å; M167-R197 HydrophobicContact SD-CB 3.75Å; M167-R197 HydrophobicContact SD-CG 4.17Å
168V50Low52.4Low47 Ų4779.1 Ų79.129%0.28540%0.403SS..EExtended strand (participates in β ladder)trans-120.1133.6179.7178.70000108.8T170 L195 R196 R198V168-T170 PolarHBondContact O-N 3.33Å; V168-L195 WeakPolarHBondContact O-CA 3.48Å; V168-R196 PolarHBondContact N-O 3.49Å; V168-R196 PolarHBondContact O-N 3.31Å; V168-R198 HydrophobicContact CG2-CB 3.85Å; V168-R198 HydrophobicContact CG2-CG 4.1Å
169V53.9Low54Low74 Ų7477.9 Ų77.945%0.44839%0.391SS..EExtended strand (participates in β ladder)trans-66.6119.4171.2176.80000108.9Y193 L195V169-Y193 HydrophobicContact CG1-CD1 3.83Å; V169-Y193 HydrophobicContact CG1-CG 4.04Å; V169-L195 HydrophobicContact CB-CD2 4.33Å; V169-L195 HydrophobicContact CG2-CD2 3.55Å
170T61.6Low55.9Low70 Ų7071.5 Ų71.543%0.42937%0.37SS..EExtended strand (participates in β ladder)trans-102.3-47.3-176.651.90000113.8V168 R194 R196V168-T170 PolarHBondContact O-N 3.33Å; T170-R194 PolarHBondContact N-O 2.91Å; T170-R194 PolarHBondContact OG1-O 2.79Å; T170-R196 HydrophobicContact CG2-CB 3.28Å; T170-R196 HydrophobicContact CG2-CG 4.25Å
171E54.4Low56.7Low96 Ų9672.4 Ų72.445%0.44938%0.379SS..EExtended strand (participates in β ladder)trans-147.1146.2-172.956.9179.6-173.800111.2Y193 R194E171-Y193 CarbonylContact O-C 3.54Å; E171-Y193 WeakPolarHBondContact O-CA 3.47Å; E171-R194 HydrophobicContact CG-CB 3.47Å; E171-R194 VanDerWaalsContact CG-CB 3.47Å; E171-R194 HydrophobicContact CG-CG 4.23Å; E171-R194 PolarHBondContact O-N 3.47Å; E171-R194 WeakPolarHBondContact OE1-CD 3.17Å; E171-R194 IonicContact OE1-CZ 2.72Å; E171-R194 IonicContact OE1-NE 2.74Å; E171-R194 IonicContact OE1-NH1 3.02Å; E171-R194 PolarHBondContact OE1-NH1 2.85Å
172H66.8Low57.8Low78 Ų7875 Ų7536%0.36139%0.393SS..EExtended strand (participates in β ladder)trans-79.9126.1169-177.5-99.8000109.5R174 T192 Y193H172-R174 PolarHBondContact O-N 3.39Å; H172-T192 PolarHBondContact CD2-O 2.74Å; H172-Y193 HydrophobicContact CB-CD1 4Å; H172-Y193 HydrophobicContact CB-CE1 3.97Å; H172-Y193 AromaticContact CD2-CD1 3.83Å; H172-Y193 AromaticContact CD2-CE1 3.48Å; H172-Y193 VanDerWaalsContact CD2-CE1 3.48Å; H172-Y193 WeakPolarHBondContact CD2-CE1 3.34Å; H172-Y193 AromaticContact CD2-CZ 3.68Å
173V68Low58.5Low26 Ų2676 Ų7616%0.15840%0.398CS..  trans-82.7101.9-178.7-176.30000108.6D175 K176 L179 T192 R194V173-D175 VanDerWaalsContact CG1-O 3.27Å; V173-D175 WeakPolarHBondContact CG1-O 3.45Å; V173-K176 HydrophobicContact CG1-CG 4.48Å; V173-L179 HydrophobicContact CG1-CD1 4.15Å; V173-T192 HydrophobicContact CB-CG2 4.1Å; V173-T192 HydrophobicContact CG2-CG2 4.32Å; V173-T192 PolarHBondContact N-O 3.49Å; V173-R194 HydrophobicContact CG2-CB 4.22Å
174R67.7Low59.2Low225 Ų22577.3 Ų77.385%0.84940%0.4SS*.  trans-81.9-43.7-179.3-54.4-176.8-146.1176.85.9112H172H172-R174 PolarHBondContact O-N 3.39Å
175D76.2Confident59.8Low93 Ų9381.5 Ų81.550%0.49742%0.42SS..  trans-94.6105.9177.9-176.6-24.8000108V173 E177 A178V173-D175 VanDerWaalsContact CG1-O 3.27Å; V173-D175 WeakPolarHBondContact CG1-O 3.45Å; D175-E177 WeakPolarHBondContact OD1-CB 3.17Å; D175-E177 PolarHBondContact OD1-N 2.8Å; D175-E177 VanDerWaalsContact OD1-N 3.11Å; D175-A178 PolarHBondContact OD1-N 3.01Å
176K67.9Low60.1Low29 Ų2984 Ų8413%0.12643%0.434CS..  trans-96.4-13.4-179-65.1171.5-176.6177.20110.7V173 A178 L179 Y184 C187 K190 T192V173-K176 HydrophobicContact CG1-CG 4.48Å; K176-A178 VanDerWaalsContact C-N 3.29Å; K176-L179 WeakPolarHBondContact O-CB 3.31Å; K176-L179 PolarHBondContact O-N 2.84Å; K176-L179 VanDerWaalsContact O-N 3.16Å; K176-Y184 HydrophobicContact CB-CD2 3.89Å; K176-C187 HydrophobicContact CD-CB 4.24Å; K176-C187 PolarHBondContact NZ-O 2.88Å; K176-K190 PolarHBondContact NZ-O 2.89Å; K176-T192 WeakPolarHBondContact CE-OG1 3.05Å
177E71.2Confident60.3Low112 Ų11282 Ų8252%0.52343%0.428SS..G310 helixtrans-66.9-36.1178.3-63.175.2-173.500110.1D175 L179 G180 Y184D175-E177 WeakPolarHBondContact OD1-CB 3.17Å; D175-E177 PolarHBondContact OD1-N 2.8Å; D175-E177 VanDerWaalsContact OD1-N 3.11Å; E177-L179 PolarHBondContact O-N 3.25Å; E177-L179 VanDerWaalsContact O-N 3.16Å; E177-G180 PolarHBondContact O-N 2.76Å; E177-G180 VanDerWaalsContact O-N 3.09Å; E177-Y184 HydrophobicContact CG-CD2 4.08Å; E177-Y184 HydrophobicContact CG-CE2 4.06Å; E177-Y184 WeakPolarHBondContact OE1-CE2 3.26Å
178A70.3Confident61.1Low83 Ų8384.3 Ų84.369%0.68644%0.441SS*.G310 helixtrans-61.9-16.9172.400000114.3D175 K176 G180D175-A178 PolarHBondContact OD1-N 3.01Å; K176-A178 VanDerWaalsContact C-N 3.29Å; A178-G180 VanDerWaalsContact C-N 3.29Å
179L66.4Low61.9Low73 Ų7385.7 Ų85.738%0.38247%0.465SS..G310 helixtrans-84.9-4.1177.1-55.9176.1000112.9V173 K176 E177 I183V173-L179 HydrophobicContact CG1-CD1 4.15Å; K176-L179 WeakPolarHBondContact O-CB 3.31Å; K176-L179 PolarHBondContact O-N 2.84Å; K176-L179 VanDerWaalsContact O-N 3.16Å; E177-L179 PolarHBondContact O-N 3.25Å; E177-L179 VanDerWaalsContact O-N 3.16Å; L179-I183 HydrophobicContact CB-CB 3.95Å; L179-I183 HydrophobicContact CB-CD1 4.45Å; L179-I183 HydrophobicContact CB-CG2 3.75Å; L179-I183 HydrophobicContact CD1-CG2 3.87Å; L179-I183 HydrophobicContact CG-CG2 4.46Å; L179-I183 WeakPolarHBondContact O-CD1 3.29Å
180G68.5Low62.3Low33 Ų3388.2 Ų88.234%0.3447%0.469SS..  trans89.6157.4-177.500000113.4E177 A178 F182 I183 Y184E177-G180 PolarHBondContact O-N 2.76Å; E177-G180 VanDerWaalsContact O-N 3.09Å; A178-G180 VanDerWaalsContact C-N 3.29Å; G180-F182 PolarHBondContact O-N 3.23Å; G180-I183 PolarHBondContact O-N 3.39Å; G180-Y184 WeakPolarHBondContact O-CB 3.23Å; G180-Y184 PolarHBondContact O-N 3.5Å
181S53.3Low61.9Low85 Ų8591 Ų9159%0.59448%0.482SS*.Hα-helixtrans-58.2-41.6-168.51700000113.7Y184 H185S181-Y184 PolarHBondContact O-N 3.02Å; S181-H185 PolarHBondContact O-CD2 3.47Å; S181-H185 PolarHBondContact O-N 3.37Å; S181-H185 VanDerWaalsContact O-N 3.09Å
182F54.9Low62.1Low158 Ų15887.6 Ų87.669%0.69347%0.467SS*.Hα-helixtrans-65.1-46.4-179.6-176.8-104000112.4G180 H185 L186G180-F182 PolarHBondContact O-N 3.23Å; F182-H185 PolarHBondContact O-N 2.99Å; F182-L186 HydrophobicContact CD1-CD1 3.77Å; F182-L186 HydrophobicContact CE1-CD1 3.34Å; F182-L186 HydrophobicContact CE2-CD1 4.41Å; F182-L186 HydrophobicContact CG-CD1 4.47Å; F182-L186 HydrophobicContact CZ-CD1 3.71Å; F182-L186 PolarHBondContact O-N 3.33Å
183I51.5Low61.8Low74 Ų7489.5 Ų89.538%0.37947%0.472SS..Hα-helixtrans-68.6-39.4179.6-58.7-175.4000110.1L179 G180 H185 L186 C187L179-I183 HydrophobicContact CB-CB 3.95Å; L179-I183 HydrophobicContact CB-CD1 4.45Å; L179-I183 HydrophobicContact CB-CG2 3.75Å; L179-I183 HydrophobicContact CD1-CG2 3.87Å; L179-I183 HydrophobicContact CG-CG2 4.46Å; L179-I183 WeakPolarHBondContact O-CD1 3.29Å; G180-I183 PolarHBondContact O-N 3.39Å; I183-H185 PolarHBondContact O-N 2.9Å; I183-L186 PolarHBondContact O-N 2.89Å; I183-C187 WeakPolarHBondContact O-CB 3.43Å; I183-C187 PolarHBondContact O-N 2.94Å
184Y55.3Low61.1Low67 Ų6795.3 Ų95.326%0.26349%0.491SS..Hα-helixtrans-53.5-50.8173.5173.2-98.2000111.8K176 E177 G180 S181 L186 C187 N188K176-Y184 HydrophobicContact CB-CD2 3.89Å; E177-Y184 HydrophobicContact CG-CD2 4.08Å; E177-Y184 HydrophobicContact CG-CE2 4.06Å; E177-Y184 WeakPolarHBondContact OE1-CE2 3.26Å; G180-Y184 WeakPolarHBondContact O-CB 3.23Å; G180-Y184 PolarHBondContact O-N 3.5Å; S181-Y184 PolarHBondContact O-N 3.02Å; Y184-L186 VanDerWaalsContact C-N 3.28Å; Y184-L186 PolarHBondContact O-N 3.27Å; Y184-C187 PolarHBondContact O-N 3.4Å; Y184-N188 VanDerWaalsContact O-CB 3.31Å; Y184-N188 WeakPolarHBondContact O-CB 3.37Å; Y184-N188 PolarHBondContact O-N 3.38Å
185H54.7Low60.5Low130 Ų13088.8 Ų88.860%0.60247%0.473SS*.Hα-helixtrans-62.9-33.2-180-74.1-58.8000113.5S181 F182 I183S181-H185 PolarHBondContact O-CD2 3.47Å; S181-H185 PolarHBondContact O-N 3.37Å; S181-H185 VanDerWaalsContact O-N 3.09Å; F182-H185 PolarHBondContact O-N 2.99Å; I183-H185 PolarHBondContact O-N 2.9Å
186L54.4Low59.3Low98 Ų9892.9 Ų92.951%0.51348%0.482SS..Hα-helixtrans-75.8-37.8177.6-75.4166.3000113.3F182 I183 Y184F182-L186 HydrophobicContact CD1-CD1 3.77Å; F182-L186 HydrophobicContact CE1-CD1 3.34Å; F182-L186 HydrophobicContact CE2-CD1 4.41Å; F182-L186 HydrophobicContact CG-CD1 4.47Å; F182-L186 HydrophobicContact CZ-CD1 3.71Å; F182-L186 PolarHBondContact O-N 3.33Å; I183-L186 PolarHBondContact O-N 2.89Å; Y184-L186 VanDerWaalsContact C-N 3.28Å; Y184-L186 PolarHBondContact O-N 3.27Å
187C50.3Low58.5Low28 Ų2895.5 Ų95.519%0.18949%0.49CS..Hα-helixtrans-92.3-1.8-177.5-66.50000113K176 I183 Y184 G189 K190K176-C187 HydrophobicContact CD-CB 4.24Å; K176-C187 PolarHBondContact NZ-O 2.88Å; I183-C187 WeakPolarHBondContact O-CB 3.43Å; I183-C187 PolarHBondContact O-N 2.94Å; Y184-C187 PolarHBondContact O-N 3.4Å; C187-G189 PolarHBondContact O-N 2.99Å; C187-K190 PolarHBondContact O-N 3.31Å
188N66Low57.4Low92 Ų9296.9 Ų96.949%0.49249%0.491SS..THydrogen-bonded Turntrans-63.4130.2178-16310.8000110.3Y184 K190Y184-N188 VanDerWaalsContact O-CB 3.31Å; Y184-N188 WeakPolarHBondContact O-CB 3.37Å; Y184-N188 PolarHBondContact O-N 3.38Å; N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 2.92Å
189G66.2Low56.4Low76 Ų7697 Ų9778%0.78449%0.486SS*.THydrogen-bonded Turntrans739.2-176.600000116.3C187C187-G189 PolarHBondContact O-N 2.99Å
190K62.4Low55.4Low126 Ų126100 Ų10055%0.54851%0.508SS..SBendtrans-116.7139.9178.2-55.1-173.8-176.6-1670112.1K176 C187 N188 T192K176-K190 PolarHBondContact NZ-O 2.89Å; C187-K190 PolarHBondContact O-N 3.31Å; N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 2.92Å; K190-T192 PolarHBondContact O-N 3.41Å; K190-T192 PolarHBondContact O-OG1 3.05Å; K190-T192 VanDerWaalsContact O-OG1 3.11Å
191D53.3Low54.2Low130 Ų130108.6 Ų108.670%0.69553%0.53SS*.  trans-64.3124.7171.3-62.8-31.6000109.2Y193D191-Y193 HydrophobicContact CB-CE2 3.68Å
192T58.7Low53.7Low23 Ų23113 Ų11314%0.14153%0.534CS..  trans-124128.1-172.6-53.50000108.8H172 V173 K176 K190H172-T192 PolarHBondContact CD2-O 2.74Å; V173-T192 HydrophobicContact CB-CG2 4.1Å; V173-T192 HydrophobicContact CG2-CG2 4.32Å; V173-T192 PolarHBondContact N-O 3.49Å; K176-T192 WeakPolarHBondContact CE-OG1 3.05Å; K190-T192 PolarHBondContact O-N 3.41Å; K190-T192 PolarHBondContact O-OG1 3.05Å; K190-T192 VanDerWaalsContact O-OG1 3.11Å
193Y60.7Low53Low119 Ų119114.1 Ų114.147%0.46753%0.533SS..EExtended strand (participates in β ladder)trans-126.8144.7-176.1-60.3-90.5000110.5V169 E171 H172 D191V169-Y193 HydrophobicContact CG1-CD1 3.83Å; V169-Y193 HydrophobicContact CG1-CG 4.04Å; E171-Y193 CarbonylContact O-C 3.54Å; E171-Y193 WeakPolarHBondContact O-CA 3.47Å; H172-Y193 HydrophobicContact CB-CD1 4Å; H172-Y193 HydrophobicContact CB-CE1 3.97Å; H172-Y193 AromaticContact CD2-CD1 3.83Å; H172-Y193 AromaticContact CD2-CE1 3.48Å; H172-Y193 VanDerWaalsContact CD2-CE1 3.48Å; H172-Y193 WeakPolarHBondContact CD2-CE1 3.34Å; H172-Y193 AromaticContact CD2-CZ 3.68Å; D191-Y193 HydrophobicContact CB-CE2 3.68Å
194R54.5Low52.3Low147 Ų147117.3 Ų117.356%0.55555%0.55SS*.EExtended strand (participates in β ladder)trans-83.7131.5172.1-169.7173.2-167.4150.16.7109.3T170 E171 V173T170-R194 PolarHBondContact N-O 2.91Å; T170-R194 PolarHBondContact OG1-O 2.79Å; E171-R194 HydrophobicContact CG-CB 3.47Å; E171-R194 VanDerWaalsContact CG-CB 3.47Å; E171-R194 HydrophobicContact CG-CG 4.23Å; E171-R194 PolarHBondContact O-N 3.47Å; E171-R194 WeakPolarHBondContact OE1-CD 3.17Å; E171-R194 IonicContact OE1-CZ 2.72Å; E171-R194 IonicContact OE1-NE 2.74Å; E171-R194 IonicContact OE1-NH1 3.02Å; E171-R194 PolarHBondContact OE1-NH1 2.85Å; V173-R194 HydrophobicContact CG2-CB 4.22Å
195L53.8Low51.6Low88 Ų88118.8 Ų118.846%0.46156%0.562SS.*EExtended strand (participates in β ladder)trans-100.4139.7173.1-57.4177.6000109M167 V168 V169M167-L195 HydrophobicContact CE-CB 3.84Å; V168-L195 WeakPolarHBondContact O-CA 3.48Å; V169-L195 HydrophobicContact CB-CD2 4.33Å; V169-L195 HydrophobicContact CG2-CD2 3.55Å
196R50.9Low50.5Low180 Ų180122.1 Ų122.168%0.67958%0.575SS**EExtended strand (participates in β ladder)trans-130.4139.7173.3-172.3179.2172.7152-0.3109.6V168 T170V168-R196 PolarHBondContact N-O 3.49Å; V168-R196 PolarHBondContact O-N 3.31Å; T170-R196 HydrophobicContact CG2-CB 3.28Å; T170-R196 HydrophobicContact CG2-CG 4.25Å
197R52.4Low49.8Very low83 Ų83127.7 Ų127.731%0.31359%0.589SS.*EExtended strand (participates in β ladder)trans-66.9133.1177.3-167.3177.6-178.5147.113112.1E165 M167 S199E165-R197 IonicContact OE1-CZ 3.7Å; E165-R197 IonicContact OE1-NH1 2.78Å; E165-R197 PolarHBondContact OE1-NH1 3.47Å; E165-R197 IonicContact OE1-NH2 2.87Å; E165-R197 PolarHBondContact OE1-NH2 3.17Å; E165-R197 IonicContact OE2-CZ 3.92Å; E165-R197 IonicContact OE2-NH1 3.55Å; E165-R197 PolarHBondContact OE2-NH1 2.96Å; E165-R197 IonicContact OE2-NH2 3.12Å; M167-R197 VanDerWaalsContact SD-CA 3.52Å; M167-R197 HydrophobicContact SD-CB 3.75Å; M167-R197 HydrophobicContact SD-CG 4.17Å; R197-S199 PolarHBondContact O-N 3.24Å
198R47.7Very low49.3Very low142 Ų142129.9 Ų129.954%0.53662%0.616SS.*  trans-87.386175.1-158.5-173.4-165.2-179.42.5110.6E166 V168E166-R198 HydrophobicContact CB-CB 4.21Å; E166-R198 HydrophobicContact CG-CB 4.02Å; E166-R198 PolarHBondContact O-N 2.84Å; E166-R198 WeakPolarHBondContact OE1-CD 3.34Å; E166-R198 IonicContact OE1-CZ 2.85Å; E166-R198 IonicContact OE1-NE 3.67Å; E166-R198 IonicContact OE1-NH1 3.66Å; E166-R198 PolarHBondContact OE1-NH1 3.24Å; V168-R198 HydrophobicContact CG2-CB 3.85Å; V168-R198 HydrophobicContact CG2-CG 4.1Å
199S49Very low48.2Very low84 Ų84129.6 Ų129.659%0.58764%0.635SS**  trans64.4149.9174.283.40000116.5R197 R201R197-S199 PolarHBondContact O-N 3.24Å; S199-R201 VanDerWaalsContact C-N 3.25Å; S199-R201 PolarHBondContact O-N 3.04Å; S199-R201 VanDerWaalsContact O-N 3.12Å
200T45.2Very low47.6Very low136 Ų136130.9 Ų130.983%0.83462%0.619SS**SBendtrans-78.917.8-16843.40000115.3R202T200-R202 PolarHBondContact O-N 3.44Å
201R42.4Very low47.1Very low214 Ų214132.8 Ų132.881%0.80864%0.635SS**  trans-9393.4178.9-77-170.8176-167.2-0.4110.7S199 R203S199-R201 VanDerWaalsContact C-N 3.25Å; S199-R201 PolarHBondContact O-N 3.04Å; S199-R201 VanDerWaalsContact O-N 3.12Å; R201-R203 PolarHBondContact O-N 3.48Å
202R43.1Very low46.9Very low179 Ų179128.6 Ų128.668%0.67562%0.616SS**  trans-54.9106.1164-66.4-179.3-176.3-177.40.7108.3T200T200-R202 PolarHBondContact O-N 3.44Å
203R40.1Very low46.3Very low180 Ų180133.7 Ų133.768%0.67964%0.642SS**BIsolated β-bridgetrans-92.1120.7169-83.9-172.9168.3-164.3-2.4108R201R201-R203 PolarHBondContact O-N 3.48Å
204I37.5Very low45.6Very low141 Ų141130.7 Ų130.772%0.72364%0.643SS**  trans-99.7106.4173.2-58.7171000105.5
205N39.9Very low45Very low99 Ų99125.3 Ų125.353%0.52962%0.624SS.*  trans-113.2143.4175.8-81.6-44.5000111.3
206K32.3Very low44.5Very low199 Ų199128.8 Ų128.887%0.86563%0.631SS**  trans-97.1126.8-179.8-161.5178.5-176.7-177.70110.3
207R38.8Very low44.1Very low216 Ų216123.6 Ų123.682%0.81562%0.615SS**  trans10.4115.4169.1-88.4-180-98.9-140.1-7.9118.9
208G40.2Very low43.6Very low73 Ų73126.4 Ų126.475%0.75363%0.629SS**  trans-157.8111.6151.900000108.6
209G44.2Very low43.1Very low87 Ų87123.8 Ų123.890%0.89762%0.623SS**  trans-64.6129.1-16800000114
210K53.3Low42.7Very low102 Ų102126 Ų12644%0.44363%0.629SS.*  trans-103.9160.8155.6-63.5-167.4-179.5-168.20107.6C212 C229 G230 V232K210-C212 PolarHBondContact O-N 3.34Å; K210-C212 PolarHBondContact O-SG 3.05Å; K210-C229 HydrophobicContact CB-CB 4.29Å; K210-G230 VanDerWaalsContact CD-O 3.26Å; K210-G230 WeakPolarHBondContact CD-O 3.2Å; K210-V232 PolarHBondContact NZ-O 3.15Å
211N50.3Low42.1Very low166 Ų166123.2 Ų123.289%0.88861%0.611SS**  trans-64.2104.6172.4-73.9-18.8000108.2
212C50Low41.7Very low43 Ų43117.1 Ų117.129%0.29159%0.591SS.*EExtended strand (participates in β ladder)trans-116.7140.6-176.1-47.40000110.3K210 L227 I228 C229K210-C212 PolarHBondContact O-N 3.34Å; K210-C212 PolarHBondContact O-SG 3.05Å; C212-L227 HydrophobicContact CB-CB 4.42Å; C212-I228 CarbonylContact C-O 3.46Å; C212-I228 WeakPolarHBondContact CA-O 3.45Å; C212-I228 WeakPolarHBondContact CB-O 3.21Å; C212-C229 HydrophobicContact CB-CB 3.99Å; C212-C229 WeakPolarHBondContact CB-SG 3.49Å; C212-C229 WeakPolarHBondContact SG-CB 3.01Å; C212-C229 CovalentContact SG-SG 2.02Å; C212-C229 PolarHBondContact SG-SG 2.81Å
213N46.7Very low41.4Very low129 Ų129112.9 Ų112.969%0.6958%0.584SS**EExtended strand (participates in β ladder)trans-95.3127.3170.2-73.3-28.9000109.1I228N213-I228 PolarHBondContact N-O 3.34Å; N213-I228 PolarHBondContact O-N 3.23Å
214A45.7Very low41.6Very low57 Ų57104.3 Ų104.347%0.47155%0.552SS.*EExtended strand (participates in β ladder)trans-86.9130176.400000110.1E225 L227A214-E225 HydrophobicContact CB-CG 4.31Å; A214-L227 HydrophobicContact CB-CD2 3.65Å
215I41.6Very low41.8Very low34 Ų34100.3 Ų100.317%0.17453%0.53CS..EExtended strand (participates in β ladder)trans-123.1124.6175.6-59.5167.5000107.6V133 T226 I228V133-I215 HydrophobicContact CB-CD1 4.41Å; V133-I215 HydrophobicContact CG1-CD1 3.67Å; V133-I215 HydrophobicContact CG1-CG1 4.42Å; V133-I215 HydrophobicContact CG2-CD1 3.95Å; V133-I215 HydrophobicContact CG2-CG1 4.14Å; V133-I215 HydrophobicContact CG2-CG2 4.11Å; I215-T226 PolarHBondContact N-O 2.94Å; I215-T226 PolarHBondContact O-N 2.83Å; I215-I228 HydrophobicContact CD1-CD1 3.35Å; I215-I228 HydrophobicContact CD1-CG1 3.99Å
216R43.9Very low42.2Very low160 Ų16095.9 Ų95.960%0.60451%0.507SS*.EExtended strand (participates in β ladder)trans-95.9123.8174.7-66.9-179.6-176.3173.7-0.6109V223 V224 E225R216-V223 HydrophobicContact CB-CG1 4.07Å; R216-V223 HydrophobicContact CG-CG1 4.46Å; R216-V224 WeakPolarHBondContact CA-O 3.2Å; R216-E225 HydrophobicContact CG-CB 4.3Å; R216-E225 HydrophobicContact CG-CG 4.14Å; R216-E225 IonicContact CZ-OE1 2.87Å; R216-E225 IonicContact NE-OE1 3.17Å; R216-E225 PolarHBondContact NE-OE1 3.41Å; R216-E225 IonicContact NH2-OE1 2.74Å; R216-E225 PolarHBondContact NH2-OE1 2.9Å
217H42.8Very low43Very low71 Ų7189.1 Ų89.133%0.32948%0.48SS..EExtended strand (participates in β ladder)trans-146.7164.3-179.673.7-64.4000110.7V224 T226H217-V224 PolarHBondContact N-O 3.2Å; H217-V224 PolarHBondContact O-N 3.03Å; H217-V224 VanDerWaalsContact O-O 3.12Å; H217-T226 PolarHBondContact CE1-OG1 2.96Å
218F41.8Very low43.5Very low143 Ų14381.8 Ų81.863%0.62746%0.456SS*.EExtended strand (participates in β ladder)trans-99.7109.6-179.3-72.5-85.6000109.7N220 F222 V223F218-N220 VanDerWaalsContact C-N 3.3Å; F218-N220 PolarHBondContact O-N 2.88Å; F218-F222 WeakPolarHBondContact CD1-O 3.45Å; F218-V223 HydrophobicContact CD1-CG2 4.18Å; F218-V223 HydrophobicContact CE1-CB 4.33Å; F218-V223 HydrophobicContact CE1-CG2 3.35Å; F218-V223 HydrophobicContact CE2-CG2 4.21Å; F218-V223 HydrophobicContact CZ-CG2 3.38Å
219E35.5Very low44Very low87 Ų8779.8 Ų79.841%0.40743%0.431SS..SBendtrans-96.861.2168.9-165.9-174.9-173.500108.3H148 V224H148-E219 IonicContact CE1-OE1 3.48Å; H148-E219 IonicContact CE1-OE2 3.81Å; H148-E219 PolarHBondContact CE1-OE2 2.75Å; H148-E219 IonicContact ND1-OE1 3.61Å; H148-E219 IonicContact ND1-OE2 2.99Å; H148-E219 PolarHBondContact ND1-OE2 3.34Å; E219-V224 HydrophobicContact CB-CG2 3.94Å
220N41.2Very low44Very low131 Ų13177.9 Ų77.970%0.70141%0.411SS*.SBendtrans106-116.3-173.6-156.614.2000114F218F218-N220 VanDerWaalsContact C-N 3.3Å; F218-N220 PolarHBondContact O-N 2.88Å
221T31.8Very low43.7Very low77 Ų7778 Ų7847%0.47242%0.42SS..SBendtrans-103.10-171.453.70000115.3V120V120-T221 HydrophobicContact CG1-CG2 4.41Å
222F34.5Very low43.2Very low86 Ų8678.7 Ų78.738%0.37743%0.43SS..SBendtrans-125.6146.5-178.248.8-84.8000110.8F150 F218 V224F150-F222 AromaticContact CD1-CE2 3.94Å; F150-F222 HydrophobicContact CD1-CE2 3.94Å; F150-F222 AromaticContact CE1-CE2 3.61Å; F150-F222 HydrophobicContact CE1-CE2 3.61Å; F150-F222 AromaticContact CE1-CZ 3.98Å; F150-F222 HydrophobicContact CE1-CZ 3.98Å; F218-F222 WeakPolarHBondContact CD1-O 3.45Å; F222-V224 HydrophobicContact CD2-CG2 3.31Å; F222-V224 HydrophobicContact CE2-CG2 3.2Å; F222-V224 HydrophobicContact CZ-CG2 4.37Å; F222-V224 PolarHBondContact O-N 2.97Å
223V37.8Very low42.9Very low89 Ų8980.5 Ų80.554%0.53944%0.437SS..EExtended strand (participates in β ladder)trans-72.3113.7173-179.30000107.6R216 F218R216-V223 HydrophobicContact CB-CG1 4.07Å; R216-V223 HydrophobicContact CG-CG1 4.46Å; F218-V223 HydrophobicContact CD1-CG2 4.18Å; F218-V223 HydrophobicContact CE1-CB 4.33Å; F218-V223 HydrophobicContact CE1-CG2 3.35Å; F218-V223 HydrophobicContact CE2-CG2 4.21Å; F218-V223 HydrophobicContact CZ-CG2 3.38Å
224V43.5Very low42.6Very low1 Ų177.9 Ų77.91%0.00642%0.423CS..EExtended strand (participates in β ladder)trans-98.1129.9173.6-177.30000108.7H148 R216 H217 E219 F222H148-V224 HydrophobicContact CB-CG1 4.5Å; R216-V224 WeakPolarHBondContact CA-O 3.2Å; H217-V224 PolarHBondContact N-O 3.2Å; H217-V224 PolarHBondContact O-N 3.03Å; H217-V224 VanDerWaalsContact O-O 3.12Å; E219-V224 HydrophobicContact CB-CG2 3.94Å; F222-V224 HydrophobicContact CD2-CG2 3.31Å; F222-V224 HydrophobicContact CE2-CG2 3.2Å; F222-V224 HydrophobicContact CZ-CG2 4.37Å; F222-V224 PolarHBondContact O-N 2.97Å
225E42.6Very low42.5Very low56 Ų5679.1 Ų79.126%0.26242%0.421SS..EExtended strand (participates in β ladder)trans-94.5117.5168.8-169.6161.7-124.500108.3D149 A214 R216D149-E225 PolarHBondContact N-O 3.44Å; A214-E225 HydrophobicContact CB-CG 4.31Å; R216-E225 HydrophobicContact CG-CB 4.3Å; R216-E225 HydrophobicContact CG-CG 4.14Å; R216-E225 IonicContact CZ-OE1 2.87Å; R216-E225 IonicContact NE-OE1 3.17Å; R216-E225 PolarHBondContact NE-OE1 3.41Å; R216-E225 IonicContact NH2-OE1 2.74Å; R216-E225 PolarHBondContact NH2-OE1 2.9Å
226T48.7Very low42.5Very low7 Ų781.7 Ų81.74%0.04344%0.435CS..EExtended strand (participates in β ladder)trans-108.9130.9176.2-74.30000109.4I146 I147 I215 H217 I228I146-T226 HydrophobicContact CG2-CG2 3.74Å; I147-T226 VanDerWaalsContact O-CA 3.22Å; I147-T226 WeakPolarHBondContact O-CA 3.42Å; I147-T226 WeakPolarHBondContact O-CB 3.48Å; I147-T226 WeakPolarHBondContact O-CG2 3.31Å; I147-T226 PolarHBondContact O-OG1 3.44Å; I215-T226 PolarHBondContact N-O 2.94Å; I215-T226 PolarHBondContact O-N 2.83Å; H217-T226 PolarHBondContact CE1-OG1 2.96Å; T226-I228 HydrophobicContact CG2-CG1 4.48Å
227L48.1Very low42.4Very low56 Ų5676.8 Ų76.829%0.29342%0.424SS..EExtended strand (participates in β ladder)trans-99121.2177.1-62.6174.6000108.9C212 A214C212-L227 HydrophobicContact CB-CB 4.42Å; A214-L227 HydrophobicContact CB-CD2 3.65Å
228I48.7Very low42.4Very low62 Ų6277.2 Ų77.232%0.31843%0.431SS..EExtended strand (participates in β ladder)trans-100.2113.3170.8-57.7-171.2000108.1C212 N213 I215 T226C212-I228 CarbonylContact C-O 3.46Å; C212-I228 WeakPolarHBondContact CA-O 3.45Å; C212-I228 WeakPolarHBondContact CB-O 3.21Å; N213-I228 PolarHBondContact N-O 3.34Å; N213-I228 PolarHBondContact O-N 3.23Å; I215-I228 HydrophobicContact CD1-CD1 3.35Å; I215-I228 HydrophobicContact CD1-CG1 3.99Å; T226-I228 HydrophobicContact CG2-CG1 4.48Å
229C52.1Low42.5Very low32 Ų3272.5 Ų72.522%0.21642%0.417CS..EExtended strand (participates in β ladder)trans-106.9133.9-179-57.80000110.6K210 C212K210-C229 HydrophobicContact CB-CB 4.29Å; C212-C229 HydrophobicContact CB-CB 3.99Å; C212-C229 WeakPolarHBondContact CB-SG 3.49Å; C212-C229 WeakPolarHBondContact SG-CB 3.01Å; C212-C229 CovalentContact SG-SG 2.02Å; C212-C229 PolarHBondContact SG-SG 2.81Å
230G43.4Very low43Very low46 Ų4671.4 Ų71.447%0.47442%0.418SS..  trans-67.6136.1169.800000111.1K210 V232K210-G230 VanDerWaalsContact CD-O 3.26Å; K210-G230 WeakPolarHBondContact CD-O 3.2Å; G230-V232 PolarHBondContact O-N 3.21Å
231V46.4Very low43.2Very low104 Ų10466.4 Ų66.463%0.6339%0.394SS*.  trans-83.6101.1169.8-171.20000107.4
232V40.4Very low44.2Very low181 Ų18165.5 Ų65.5100%1.09739%0.387SS*.  trans-71.80151.5-166.90000107.8K210 G230K210-V232 PolarHBondContact NZ-O 3.15Å; G230-V232 PolarHBondContact O-N 3.21Å

Retrieved 232 of 232 residues in 240.1 ms (Link to these results)