A0A096N9Y2_PAPAN Loading...

DnaJ heat shock protein family (Hsp40) member C18

AlphaFold DB , UniProt , Accession A0A096N9Y2, Species PAPAN (Papio anubis, Olive baboon), Gene DNAJC18, Length 358 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
1M38.2Very low41Very low251 Ų251138.4 Ų138.4100%1.23680%0.797SS**  0110.10-73.1-179-179.500107.5
2A35.8Very low41.5Very low105 Ų105133.8 Ų133.887%0.86877%0.773SS**  trans-80.6137.7174.800000109.4
3A35.2Very low41.9Very low101 Ų101134.7 Ų134.784%0.83577%0.766SS**  trans-136.5115160.600000108
4T37.7Very low42.4Very low140 Ų140129 Ų12986%0.85974%0.744SS**PPolyproline II helixtrans-75.8120.9-177.944.80000110.8
5L41.1Very low42.7Very low179 Ų179131.7 Ų131.794%0.93774%0.739SS**PPolyproline II helixtrans-86.5128.1164.7-75.3167.3000109.3
6G34.6Very low43.4Very low65 Ų65129.4 Ų129.467%0.6772%0.723SS**PPolyproline II helixtrans-81.5131.6-165.100000114.6G8G6-G8 PolarHBondContact O-N 2.7Å
7S50.1Low43.9Very low92 Ų92125.8 Ų125.864%0.64370%0.702SS**SBend35.41.6125.5-162.50000123.2
8G42.1Very low44.3Very low53 Ų53121.9 Ų121.955%0.54669%0.688SS.*SBendtrans-93.8-27.1-179.600000114.3G6G6-G8 PolarHBondContact O-N 2.7Å
9E47.8Very low44.7Very low164 Ų164120.5 Ų120.577%0.76668%0.682SS**SBendtrans-95.8-7-168.8-63.6179153.600113.9T12E9-T12 PolarHBondContact O-OG1 3.46Å
10R48.6Very low44.8Very low183 Ų183124 Ų12469%0.69168%0.684SS**Hα-helixtrans-76.5-20.2179.4-91.7175.653.7-133.4-6.3114.5A14R10-A14 WeakPolarHBondContact O-CB 3.26Å; R10-A14 PolarHBondContact O-N 3.33Å
11W39.6Very low44.8Very low189 Ų189126.7 Ų126.772%0.71668%0.684SS**Hα-helixtrans-88.4-28.3-176.8-65.8100.9000112.9Y15W11-Y15 VanDerWaalsContact O-CB 3.3Å; W11-Y15 WeakPolarHBondContact O-CB 3.35Å; W11-Y15 PolarHBondContact O-N 2.71Å; W11-Y15 VanDerWaalsContact O-N 3.07Å
12T47.8Very low44.8Very low83 Ų83121 Ų12151%0.50966%0.658SS.*Hα-helixtrans-74.6-41.7177.748.80000111.1E9 Y15 I16E9-T12 PolarHBondContact O-OG1 3.46Å; T12-Y15 PolarHBondContact O-N 2.86Å; T12-I16 WeakPolarHBondContact O-CB 3.3Å; T12-I16 VanDerWaalsContact O-CG1 3.26Å; T12-I16 WeakPolarHBondContact O-CG1 3.27Å; T12-I16 PolarHBondContact O-N 3.07Å
13E46.4Very low44.7Very low146 Ų146125.3 Ų125.368%0.68266%0.658SS**Hα-helixtrans-66.6-39.8173.3-76.2-165.9149.100112.4Y15 I16 D17E13-Y15 VanDerWaalsContact C-N 3.31Å; E13-Y15 PolarHBondContact O-N 2.81Å; E13-I16 PolarHBondContact O-N 3.41Å; E13-D17 VanDerWaalsContact O-CB 3.27Å; E13-D17 WeakPolarHBondContact O-CB 3.27Å; E13-D17 PolarHBondContact O-N 2.89Å
14A48.8Very low44.6Very low55 Ų55130 Ų13046%0.45566%0.655SS.*Hα-helixtrans-65.7-32.8176.300000112.8R10 A18R10-A14 WeakPolarHBondContact O-CB 3.26Å; R10-A14 PolarHBondContact O-N 3.33Å; A14-A18 VanDerWaalsContact O-CB 3.27Å; A14-A18 WeakPolarHBondContact O-CB 3.5Å; A14-A18 PolarHBondContact O-N 3.11Å
15Y47.2Very low44.4Very low170 Ų170128.8 Ų128.867%0.66765%0.65SS**Hα-helixtrans-74.3-41.3175.8-174.1-102.3000112W11 T12 E13 D17 A18 V19W11-Y15 VanDerWaalsContact O-CB 3.3Å; W11-Y15 WeakPolarHBondContact O-CB 3.35Å; W11-Y15 PolarHBondContact O-N 2.71Å; W11-Y15 VanDerWaalsContact O-N 3.07Å; T12-Y15 PolarHBondContact O-N 2.86Å; E13-Y15 VanDerWaalsContact C-N 3.31Å; E13-Y15 PolarHBondContact O-N 2.81Å; Y15-D17 VanDerWaalsContact C-N 3.34Å; Y15-A18 PolarHBondContact O-N 3.49Å; Y15-V19 HydrophobicContact CE1-CG2 4.33Å; Y15-V19 VanDerWaalsContact O-CG2 3.31Å; Y15-V19 WeakPolarHBondContact O-CG2 3.4Å; Y15-V19 PolarHBondContact O-N 3.31Å
16I54.1Low44Very low95 Ų95129 Ų12949%0.48765%0.646SS.*Hα-helixtrans-66.8-37.2176.1-67.8168.1000110.9T12 E13 V19 R20T12-I16 WeakPolarHBondContact O-CB 3.3Å; T12-I16 VanDerWaalsContact O-CG1 3.26Å; T12-I16 WeakPolarHBondContact O-CG1 3.27Å; T12-I16 PolarHBondContact O-N 3.07Å; E13-I16 PolarHBondContact O-N 3.41Å; I16-V19 PolarHBondContact O-N 3.47Å; I16-R20 PolarHBondContact O-N 3.19Å; I16-R20 VanDerWaalsContact O-N 3.07Å
17D51.1Low43.8Very low68 Ų68133.6 Ų133.636%0.36466%0.655SS.*Hα-helixtrans-74.5-29.7177.9-16052.9000112.8E13 Y15 R20 R21E13-D17 VanDerWaalsContact O-CB 3.27Å; E13-D17 WeakPolarHBondContact O-CB 3.27Å; E13-D17 PolarHBondContact O-N 2.89Å; Y15-D17 VanDerWaalsContact C-N 3.34Å; D17-R20 PolarHBondContact O-N 3.39Å; D17-R21 PolarHBondContact O-N 3.06Å; D17-R21 IonicContact OD2-CZ 3.44Å; D17-R21 IonicContact OD2-NE 3.33Å; D17-R21 PolarHBondContact OD2-NE 3.16Å; D17-R21 IonicContact OD2-NH2 2.7Å; D17-R21 PolarHBondContact OD2-NH2 3.38Å
18A50.5Low42.8Very low55 Ų55135.5 Ų135.546%0.45566%0.663SS.*Hα-helixtrans-70.5-35.3171.200000112.7A14 Y15 N22A14-A18 VanDerWaalsContact O-CB 3.27Å; A14-A18 WeakPolarHBondContact O-CB 3.5Å; A14-A18 PolarHBondContact O-N 3.11Å; Y15-A18 PolarHBondContact O-N 3.49Å; A18-N22 PolarHBondContact O-N 3.4Å
19V52.1Low42.7Very low95 Ų95138.8 Ų138.858%0.57668%0.675SS**Hα-helixtrans-70.1-34.5173.8172.60000111.2Y15 I16Y15-V19 HydrophobicContact CE1-CG2 4.33Å; Y15-V19 VanDerWaalsContact O-CG2 3.31Å; Y15-V19 WeakPolarHBondContact O-CG2 3.4Å; Y15-V19 PolarHBondContact O-N 3.31Å; I16-V19 PolarHBondContact O-N 3.47Å
20R47.9Very low41.8Very low190 Ų190136.6 Ų136.672%0.71768%0.678SS**Hα-helixtrans-72.6-26.1178.2-144.4-176.1-71.3175.9-1.8113.4I16 D17I16-R20 PolarHBondContact O-N 3.19Å; I16-R20 VanDerWaalsContact O-N 3.07Å; D17-R20 PolarHBondContact O-N 3.39Å
21R43.7Very low40.8Very low182 Ų182136.9 Ų136.969%0.68769%0.687SS**Hα-helixtrans-83-18177.7-84.1-173.9-99.8154.4-8.8114.7D17 K23D17-R21 PolarHBondContact O-N 3.06Å; D17-R21 IonicContact OD2-CZ 3.44Å; D17-R21 IonicContact OD2-NE 3.33Å; D17-R21 PolarHBondContact OD2-NE 3.16Å; D17-R21 IonicContact OD2-NH2 2.7Å; D17-R21 PolarHBondContact OD2-NH2 3.38Å; R21-K23 PolarHBondContact O-N 2.96Å
22N38.8Very low40.1Very low130 Ų130133 Ų13370%0.69569%0.688SS**  trans-84.869.6177.5-136.227.3000110.3A18 Y24A18-N22 PolarHBondContact O-N 3.4Å; N22-Y24 PolarHBondContact O-N 2.98Å; N22-Y24 VanDerWaalsContact O-N 3.12Å
23K33.1Very low39.2Very low197 Ų197137.6 Ų137.686%0.85770%0.704SS**  trans-68.6102.5174.2-135.8-176.7-175.4-169.90108.1R21R21-K23 PolarHBondContact O-N 2.96Å
24Y32.8Very low38.4Very low200 Ų200138.1 Ų138.178%0.78471%0.711SS**PPolyproline II helixtrans-63.4136.7157.3-93.4-94.9000107.9N22 E26N22-Y24 PolarHBondContact O-N 2.98Å; N22-Y24 VanDerWaalsContact O-N 3.12Å; Y24-E26 PolarHBondContact O-N 2.9Å
25P34.5Very low37.8Very low114 Ų114141 Ų14174%0.7473%0.725SS**PPolyproline II helixtrans-65.5129.9171.326.3-29.6000109.3
26E31.7Very low36.8Very low183 Ų183139 Ų13986%0.85574%0.735SS**PPolyproline II helixtrans-65.7131.5164.9-71-179.3156.500108.9Y24Y24-E26 PolarHBondContact O-N 2.9Å
27D31.5Very low35.4Very low161 Ų161137.4 Ų137.486%0.86174%0.741SS**  trans-139.5125.1152.4-84.3-40000108.3
28T29.6Very low34.3Very low132 Ų132140.3 Ų140.381%0.8177%0.766SS**  trans-128.2166.7167.657.40000107.4
29P39Very low33.3Very low122 Ų122143.6 Ų143.679%0.79278%0.784SS**  -121.6148.1-60.134-19.8000109.5
30S28.6Very low32.7Very low119 Ų119146.5 Ų146.583%0.83280%0.796SS**  trans-127.5113.5162.464.10000109.7
31E27.2Very low31.8Very low188 Ų188143.5 Ų143.588%0.87980%0.803SS**  trans-47135168.1-65.2168.1133.700111.3
32S26.8Very low31.3Very low107 Ų107140.5 Ų140.575%0.74881%0.805SS**  167.3119.9116.345.60000111.8
33H28.5Very low31.1Very low181 Ų181143.5 Ų143.584%0.83881%0.811SS**  trans53.4101146.5-70.7-63.6000120.7
34D28.6Very low30.9Very low156 Ų156138.5 Ų138.583%0.83481%0.807SS**  -55140.8129.5-79.7-39.2000109.3
35P37.4Very low30.8Very low116 Ų116138.1 Ų138.175%0.75381%0.812SS**  -145.6155.482.636.8-19000116.5
36C25.6Very low30.7Very low128 Ų128142.3 Ų142.387%0.86582%0.819SS**  trans86.6121.5143-167.30000118.7
37G24.9Very low30.7Very low61 Ų61141.1 Ų141.163%0.62981%0.813SS**  113.8111.7110.400000116.7
38C28.5Very low30.9Very low130 Ų130142.3 Ų142.388%0.87881%0.811SS**  trans-17.6137.3161.3-65.70000116.7
39C29.2Very low30.8Very low123 Ų123144.1 Ų144.183%0.83181%0.808SS**  trans-127.297.8155.3-82.70000110.7
40N38.3Very low30.3Very low156 Ų156143.3 Ų143.383%0.83481%0.805SS**  trans-56.4126.3148.5-86.7-35.2000108.8
41C30.4Very low30.5Very low128 Ų128145.3 Ų145.387%0.86580%0.801SS**  trans-133.980.9161.3-84.70000109.7
42V32.8Very low30.6Very low118 Ų118143.8 Ų143.872%0.71580%0.799SS**  trans-101.9127.3161.7165.90000107.6
43K33.3Very low30.7Very low193 Ų193147.2 Ų147.284%0.83980%0.803SS**  trans81.9130.6164.5-67.8161.4-173.1-178.70118.3
44A29.1Very low30.5Very low92 Ų92148.6 Ų148.676%0.7680%0.801SS**  trans126.9125.8154.300000108.4
45Q31.8Very low30.4Very low192 Ų192147.7 Ų147.790%0.89780%0.801SS**  cis-154.2152.217-63.4176.8-37.800108.9
46K32Very low30.3Very low202 Ų202150.2 Ų150.288%0.87880%0.803SS**  trans-103.4104.8168.9-152.7178.3-171.8178.80108.1
47E31.7Very low30.6Very low158 Ų158150.7 Ų150.774%0.73880%0.802SS**  trans11.8141.6151-51.6175.9157.300122
48K35.7Very low30.7Very low186 Ų186159.5 Ų159.581%0.80982%0.816SS**  160.1151.3105.5-86.8-177.3-175.1177.10109.7
49K28.1Very low31.1Very low171 Ų171163 Ų16374%0.74382%0.82SS**  cis178.2139.3-6.1178.7-174.3-175.2-163.70106.1
50S27.7Very low31.2Very low105 Ų105160.5 Ų160.573%0.73481%0.814SS**  trans163.2108.714346.10000108.8
51E32.3Very low31.2Very low160 Ų160162.6 Ų162.675%0.74882%0.819SS**  80.2109.990.1-118.9165.7-135.900112.4
52N29.4Very low31.6Very low157 Ų157159.7 Ų159.784%0.8481%0.811SS**  161163.6122.3-71.4-12.5000113.8
53E28.8Very low32Very low178 Ų178159.4 Ų159.483%0.83281%0.814SS**  trans-95156-145-162.7157.5104.100116
54W24.6Very low32.9Very low211 Ų211152.9 Ų152.980%0.79979%0.793SS**  trans61.9107.5156.5-105.658000121.3
55T27.3Very low34.4Very low137 Ų137156 Ų15684%0.8479%0.794SS**  -168.4137.1113.517.40000111.1
56Q35.3Very low36Very low168 Ų168150.7 Ų150.779%0.78577%0.766SS**  trans-63.5165.3177.5-85170.9-19.800112.8
57T31.2Very low38.4Very low139 Ų139143.8 Ų143.885%0.85374%0.744SS**  trans75.692.8170.725.30000116.8
58R27.3Very low40.5Very low245 Ų245143.5 Ų143.593%0.92574%0.742SS**  -157.8116.2127.8-107.4168179.5-151.1-2.2109.7G60R58-G60 PolarHBondContact O-N 2.72Å
59Q37.5Very low42.5Very low205 Ų205142.2 Ų142.296%0.95874%0.739SS**  trans-50.4120.9153.2-74.6168-29.700106.9
60G30.2Very low44.9Very low69 Ų69136.6 Ų136.671%0.71172%0.716SS**  trans-148.296.9179.600000107.1R58 G62R58-G60 PolarHBondContact O-N 2.72Å; G60-G62 VanDerWaalsContact C-N 3.33Å; G60-G62 PolarHBondContact O-N 3.11Å
61E39Very low47.3Very low200 Ų200133.5 Ų133.594%0.93569%0.691SS**  trans-56.490.4175-67.9163135.600110.2S63E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 2.79Å
62G37.7Very low49.7Very low68 Ų68130.7 Ų130.770%0.70168%0.68SS**  trans-81.988156.600000107.4G60 S64G60-G62 VanDerWaalsContact C-N 3.33Å; G60-G62 PolarHBondContact O-N 3.11Å; G62-S64 PolarHBondContact O-N 2.98Å
63S42.4Very low52.1Low111 Ų111123.7 Ų123.778%0.77665%0.645SS**  trans-42.9105.4176.4-177.70000110.5E61 M65E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 2.79Å; S63-M65 PolarHBondContact O-N 2.97Å; S63-M65 VanDerWaalsContact O-N 3.14Å
64S52Low54.5Low57 Ų57115.4 Ų115.440%0.39961%0.606SS.*  trans-63.6112.3175.2173.50000107.7G62 Y66G62-S64 PolarHBondContact O-N 2.98Å; S64-Y66 PolarHBondContact O-N 3.46Å; S64-Y66 WeakPolarHBondContact OG-CD2 3.28Å; S64-Y66 WeakPolarHBondContact OG-CE1 3.26Å; S64-Y66 WeakPolarHBondContact OG-CE2 3.25Å; S64-Y66 PolarHBondContact OG-O 3.3Å
65M60Low57.2Low157 Ų157109.8 Ų109.877%0.77359%0.589SS**SBendtrans-62.312.1175.7-75-165.879.600114.2S63 C115S63-M65 PolarHBondContact O-N 2.97Å; S63-M65 VanDerWaalsContact O-N 3.14Å; M65-C115 HydrophobicContact CB-CB 4.46Å
66Y66.8Low59.8Low81 Ų81109.3 Ų109.332%0.31857%0.572SS.*SBendtrans-141.8144.2-179.853.2-98.4000110.2S64 L71 A116S64-Y66 PolarHBondContact O-N 3.46Å; S64-Y66 WeakPolarHBondContact OG-CD2 3.28Å; S64-Y66 WeakPolarHBondContact OG-CE1 3.26Å; S64-Y66 WeakPolarHBondContact OG-CE2 3.25Å; S64-Y66 PolarHBondContact OG-O 3.3Å; Y66-L71 HydrophobicContact CD2-CD1 3.68Å; Y66-L71 HydrophobicContact CD2-CD2 4.12Å; Y66-L71 HydrophobicContact CD2-CG 3.48Å; Y66-L71 VanDerWaalsContact CD2-CG 3.48Å; Y66-L71 HydrophobicContact CE2-CD1 3.15Å; Y66-L71 HydrophobicContact CE2-CD2 3.91Å; Y66-L71 HydrophobicContact CE2-CG 3.44Å; Y66-L71 VanDerWaalsContact CE2-CG 3.44Å; Y66-A116 HydrophobicContact CG-CB 4.08Å
67S81.1Confident62.1Low57 Ų57101.4 Ų101.440%0.39954%0.535SS..  trans-72.9147.6173.8168.20000111E69 Q70 L71S67-E69 PolarHBondContact O-N 2.91Å; S67-E69 PolarHBondContact OG-N 2.55Å; S67-Q70 WeakPolarHBondContact O-CA 3.44Å; S67-Q70 WeakPolarHBondContact O-CB 3.37Å; S67-Q70 PolarHBondContact O-N 3.48Å; S67-L71 PolarHBondContact O-N 3.42Å
68E76.3Confident64.3Low152 Ų152100.6 Ų100.671%0.7152%0.52SS*.Hα-helixtrans-56.5-35.1174.1-172.6174.3-176.800111.7Q70 L71 L72E68-Q70 VanDerWaalsContact C-N 3.31Å; E68-Q70 PolarHBondContact O-N 3.45Å; E68-L71 PolarHBondContact O-N 3.05Å; E68-L72 HydrophobicContact CG-CD1 4.42Å; E68-L72 WeakPolarHBondContact O-CG 3.41Å; E68-L72 PolarHBondContact O-N 3.4Å
69E76.9Confident66.7Low159 Ų15996.7 Ų96.774%0.74351%0.509SS*.Hα-helixtrans-64.1-35.3174.4-61.5-175.117100112.5S67 G73S67-E69 PolarHBondContact O-N 2.91Å; S67-E69 PolarHBondContact OG-N 2.55Å; E69-G73 PolarHBondContact O-N 2.82Å
70Q78.9Confident68.6Low53 Ų5388.2 Ų88.225%0.24847%0.473CS..Hα-helixtrans-69.2-40.9178.8-69.4174.5-43.100110.8S67 E68 G73 V74 K113 A116S67-Q70 WeakPolarHBondContact O-CA 3.44Å; S67-Q70 WeakPolarHBondContact O-CB 3.37Å; S67-Q70 PolarHBondContact O-N 3.48Å; E68-Q70 VanDerWaalsContact C-N 3.31Å; E68-Q70 PolarHBondContact O-N 3.45Å; Q70-G73 PolarHBondContact O-N 2.92Å; Q70-V74 WeakPolarHBondContact O-CG2 3.44Å; Q70-V74 PolarHBondContact O-N 3.36Å; Q70-K113 PolarHBondContact NE2-O 3.02Å; Q70-A116 HydrophobicContact CB-CB 4.28Å
71L79Confident70.4Confident40 Ų4094.9 Ų94.921%0.20948%0.476CS..Hα-helixtrans-61.4-50173.3-86.7179.7000112.4Y66 S67 E68 G73 V74 Q75 A116 P117Y66-L71 HydrophobicContact CD2-CD1 3.68Å; Y66-L71 HydrophobicContact CD2-CD2 4.12Å; Y66-L71 HydrophobicContact CD2-CG 3.48Å; Y66-L71 VanDerWaalsContact CD2-CG 3.48Å; Y66-L71 HydrophobicContact CE2-CD1 3.15Å; Y66-L71 HydrophobicContact CE2-CD2 3.91Å; Y66-L71 HydrophobicContact CE2-CG 3.44Å; Y66-L71 VanDerWaalsContact CE2-CG 3.44Å; S67-L71 PolarHBondContact O-N 3.42Å; E68-L71 PolarHBondContact O-N 3.05Å; L71-G73 PolarHBondContact O-N 3.07Å; L71-V74 PolarHBondContact O-N 2.96Å; L71-Q75 WeakPolarHBondContact O-CG 3.39Å; L71-Q75 PolarHBondContact O-N 3.42Å; L71-A116 HydrophobicContact CD2-CB 4.19Å; L71-P117 HydrophobicContact CD2-CG 3.63Å
72L81.1Confident72.5Confident101 Ų10188.4 Ų88.453%0.52945%0.448SS..Hα-helixtrans-60.9-38.1179.8-70.4172.9000111.1E68 Q75 R76E68-L72 HydrophobicContact CG-CD1 4.42Å; E68-L72 WeakPolarHBondContact O-CG 3.41Å; E68-L72 PolarHBondContact O-N 3.4Å; L72-Q75 PolarHBondContact O-N 3.25Å; L72-R76 WeakPolarHBondContact O-CB 3.43Å; L72-R76 PolarHBondContact O-N 3.14Å
73G80.8Confident74.9Confident10 Ų1087 Ų8710%0.10342%0.421CS..Hα-helixtrans-61.9-46.7174.100000113.5E69 Q70 L71 R76 I77E69-G73 PolarHBondContact O-N 2.82Å; Q70-G73 PolarHBondContact O-N 2.92Å; L71-G73 PolarHBondContact O-N 3.07Å; G73-R76 PolarHBondContact O-N 3.28Å; G73-I77 PolarHBondContact O-N 3.32Å; G73-I77 VanDerWaalsContact O-N 3.16Å
74V80.2Confident77Confident3 Ų382.6 Ų82.62%0.01839%0.388CS..Hα-helixtrans-64.2-44.1177.7170.10000110.3Q70 L71 R76 I77 K78 F109 A116 G118 A119 A122Q70-V74 WeakPolarHBondContact O-CG2 3.44Å; Q70-V74 PolarHBondContact O-N 3.36Å; L71-V74 PolarHBondContact O-N 2.96Å; V74-R76 VanDerWaalsContact C-N 3.3Å; V74-R76 PolarHBondContact O-N 3.4Å; V74-I77 PolarHBondContact O-N 2.92Å; V74-K78 HydrophobicContact CG1-CD 4.01Å; V74-K78 HydrophobicContact CG1-CG 4.46Å; V74-K78 WeakPolarHBondContact O-CG 3.46Å; V74-K78 PolarHBondContact O-N 3.48Å; V74-F109 HydrophobicContact CB-CE1 4.44Å; V74-F109 HydrophobicContact CG2-CD1 3.83Å; V74-F109 HydrophobicContact CG2-CE1 3.66Å; V74-A116 HydrophobicContact CG2-CB 4.27Å; V74-G118 VanDerWaalsContact CG1-C 3.47Å; V74-G118 WeakPolarHBondContact CG1-O 3.34Å; V74-A119 HydrophobicContact CG2-CB 4.07Å; V74-A122 HydrophobicContact CG1-CB 4.18Å; V74-A122 HydrophobicContact CG2-CB 4.35Å
75Q79.9Confident78.7Confident93 Ų9384.5 Ų84.544%0.43539%0.391SS..Hα-helixtrans-62.7-37.1177.6-72.4-178.311.500112.3L71 L72 K79L71-Q75 WeakPolarHBondContact O-CG 3.39Å; L71-Q75 PolarHBondContact O-N 3.42Å; L72-Q75 PolarHBondContact O-N 3.25Å; Q75-K79 WeakPolarHBondContact O-CB 3.48Å; Q75-K79 VanDerWaalsContact O-CG 3.25Å; Q75-K79 WeakPolarHBondContact O-CG 3.12Å; Q75-K79 PolarHBondContact O-N 3.19Å; Q75-K79 VanDerWaalsContact O-N 3.07Å
76R83.1Confident79.9Confident127 Ų12777.5 Ų77.548%0.47936%0.356SS..Hα-helixtrans-61.5-51.7175.4-170.1-172.477.1-151.83.9111L72 G73 V74 K78 K79 C80L72-R76 WeakPolarHBondContact O-CB 3.43Å; L72-R76 PolarHBondContact O-N 3.14Å; G73-R76 PolarHBondContact O-N 3.28Å; V74-R76 VanDerWaalsContact C-N 3.3Å; V74-R76 PolarHBondContact O-N 3.4Å; R76-K78 VanDerWaalsContact C-N 3.28Å; R76-K78 PolarHBondContact O-N 3.22Å; R76-K79 PolarHBondContact O-N 2.75Å; R76-C80 PolarHBondContact O-N 2.96Å; R76-C80 PolarHBondContact O-SG 3.1Å
77I82Confident80.9Confident3 Ų373.9 Ų73.92%0.01534%0.343CS..Hα-helixtrans-61.5-39.2-178.8-68.1162.5000111.1G73 V74 K79 C80 I86 F109 A122 A125 I126G73-I77 PolarHBondContact O-N 3.32Å; G73-I77 VanDerWaalsContact O-N 3.16Å; V74-I77 PolarHBondContact O-N 2.92Å; I77-K79 VanDerWaalsContact C-N 3.28Å; I77-K79 PolarHBondContact O-N 3.38Å; I77-C80 PolarHBondContact O-N 2.86Å; I77-I86 HydrophobicContact CG2-CG2 4.16Å; I77-F109 HydrophobicContact CD1-CD1 4.08Å; I77-F109 HydrophobicContact CD1-CD2 3.74Å; I77-F109 HydrophobicContact CD1-CE1 3.78Å; I77-F109 HydrophobicContact CD1-CE2 3.41Å; I77-F109 VanDerWaalsContact CD1-CE2 3.41Å; I77-F109 HydrophobicContact CD1-CG 4.06Å; I77-F109 HydrophobicContact CD1-CZ 3.43Å; I77-F109 VanDerWaalsContact CD1-CZ 3.43Å; I77-A122 HydrophobicContact CB-CB 4.04Å; I77-A122 HydrophobicContact CD1-CB 4.07Å; I77-A122 HydrophobicContact CG2-CB 3.84Å; I77-A125 HydrophobicContact CG2-CB 3.99Å; I77-I126 HydrophobicContact CD1-CD1 3.6Å; I77-I126 HydrophobicContact CD1-CG1 4.09Å; I77-I126 HydrophobicContact CG2-CG1 4.48Å
78K77.5Confident81.2Confident122 Ų12274.1 Ų74.153%0.5335%0.354SS..Hα-helixtrans-69.5-23.2176.6-70.2-175.970.2153.70113.9V74 R76 D121V74-K78 HydrophobicContact CG1-CD 4.01Å; V74-K78 HydrophobicContact CG1-CG 4.46Å; V74-K78 WeakPolarHBondContact O-CG 3.46Å; V74-K78 PolarHBondContact O-N 3.48Å; R76-K78 VanDerWaalsContact C-N 3.28Å; R76-K78 PolarHBondContact O-N 3.22Å; K78-D121 IonicContact NZ-OD2 2.89Å; K78-D121 PolarHBondContact NZ-OD2 3.36Å
79K78.1Confident81.8Confident163 Ų16368.3 Ų68.371%0.70933%0.329SS*.Hα-helixtrans-85.4-30.4176.8-76.6174.9-178.2179.80112.4Q75 R76 I77 R81Q75-K79 WeakPolarHBondContact O-CB 3.48Å; Q75-K79 VanDerWaalsContact O-CG 3.25Å; Q75-K79 WeakPolarHBondContact O-CG 3.12Å; Q75-K79 PolarHBondContact O-N 3.19Å; Q75-K79 VanDerWaalsContact O-N 3.07Å; R76-K79 PolarHBondContact O-N 2.75Å; I77-K79 VanDerWaalsContact C-N 3.28Å; I77-K79 PolarHBondContact O-N 3.38Å; K79-R81 PolarHBondContact O-N 3.48Å
80C77.1Confident82.3Confident27 Ų2764.5 Ų64.518%0.18232%0.319CS..  trans-64.9130.9175.7-67.80000110R76 I77 E85 I86R76-C80 PolarHBondContact O-N 2.96Å; R76-C80 PolarHBondContact O-SG 3.1Å; I77-C80 PolarHBondContact O-N 2.86Å; C80-E85 HydrophobicContact CB-CB 4Å; C80-I86 HydrophobicContact CB-CG1 3.72Å
81R69.3Low82.6Confident209 Ų20968.5 Ų68.579%0.78933%0.332SS*.  trans-94.1-43.3175.2-66.9-178.6177.5177.6-2.2110.1K79K79-R81 PolarHBondContact O-N 3.48Å
82N82.9Confident83Confident63 Ų6373.5 Ų73.534%0.33736%0.359SS..SBendtrans-76139.7-176.2-60.3-39.7000113.8Y84 E85 I86 Y142 D147N82-Y84 VanDerWaalsContact C-N 3.31Å; N82-Y84 PolarHBondContact O-N 3.46Å; N82-E85 HydrophobicContact CB-CB 4.17Å; N82-E85 HydrophobicContact CB-CG 3.94Å; N82-E85 PolarHBondContact ND2-OE1 3.09Å; N82-E85 PolarHBondContact O-N 3.13Å; N82-E85 VanDerWaalsContact O-N 3.14Å; N82-I86 WeakPolarHBondContact O-CG1 3.36Å; N82-I86 PolarHBondContact O-N 3.46Å; N82-Y142 WeakPolarHBondContact CA-OH 3.23Å; N82-D147 VanDerWaalsContact CA-OD2 3.26Å; N82-D147 WeakPolarHBondContact CA-OD2 3.32Å
83Y87.3Confident83.2Confident38 Ų3868.8 Ų68.815%0.14934%0.335CS..Hα-helixtrans-61.9-35.5175.9-66.6-36000113.3I86 L87 A129 V132 Y142Y83-I86 HydrophobicContact CD1-CD1 4.06Å; Y83-I86 PolarHBondContact O-N 3.12Å; Y83-L87 PolarHBondContact O-N 3.05Å; Y83-L87 VanDerWaalsContact O-N 3.08Å; Y83-A129 HydrophobicContact CD1-CB 3.59Å; Y83-A129 HydrophobicContact CG-CB 3.94Å; Y83-V132 HydrophobicContact CD2-CB 4.08Å; Y83-V132 HydrophobicContact CD2-CG1 3.98Å; Y83-V132 HydrophobicContact CE2-CB 3.96Å; Y83-V132 HydrophobicContact CE2-CG1 3.87Å; Y83-V132 HydrophobicContact CE2-CG2 3.91Å; Y83-Y142 HydrophobicContact CD2-CD1 4.08Å; Y83-Y142 AromaticContact CD2-CD2 3.5Å; Y83-Y142 HydrophobicContact CD2-CD2 3.5Å; Y83-Y142 VanDerWaalsContact CD2-CD2 3.5Å; Y83-Y142 AromaticContact CD2-CE1 3.78Å; Y83-Y142 HydrophobicContact CD2-CE1 3.78Å; Y83-Y142 AromaticContact CD2-CE2 3.16Å; Y83-Y142 HydrophobicContact CD2-CE2 3.16Å; Y83-Y142 AromaticContact CD2-CG 3.94Å; Y83-Y142 HydrophobicContact CD2-CG 3.94Å; Y83-Y142 AromaticContact CD2-CZ 3.31Å; Y83-Y142 AromaticContact CE2-CD2 3.49Å; Y83-Y142 HydrophobicContact CE2-CD2 3.49Å; Y83-Y142 VanDerWaalsContact CE2-CD2 3.49Å; Y83-Y142 AromaticContact CE2-CE2 3.32Å; Y83-Y142 HydrophobicContact CE2-CE2 3.32Å; Y83-Y142 HydrophobicContact CE2-CG 4.26Å; Y83-Y142 AromaticContact CE2-CZ 3.98Å; Y83-Y142 HydrophobicContact CG-CE1 4.32Å; Y83-Y142 HydrophobicContact CG-CE2 4.04Å; Y83-Y142 AromaticContact CG-CZ 3.82Å; Y83-Y142 PolarHBondContact N-OH 2.81Å
84Y87.9Confident83.6Confident20 Ų2070.9 Ų70.98%0.07835%0.348CS..Hα-helixtrans-64.6-39.4174.7-64.2-76.6000112.2N82 L87 G88 V89 S90 R91 L133 R139 Y142 D143N82-Y84 VanDerWaalsContact C-N 3.31Å; N82-Y84 PolarHBondContact O-N 3.46Å; Y84-L87 PolarHBondContact O-N 2.98Å; Y84-G88 WeakPolarHBondContact O-CA 3.48Å; Y84-G88 PolarHBondContact O-N 3.07Å; Y84-V89 HydrophobicContact CD1-CG2 4.07Å; Y84-V89 PolarHBondContact O-N 3.4Å; Y84-S90 WeakPolarHBondContact CD1-O 3.35Å; Y84-R91 HydrophobicContact CD2-CG 4.38Å; Y84-R91 HydrophobicContact CE1-CG 4.44Å; Y84-R91 HydrophobicContact CE2-CG 3.96Å; Y84-L133 HydrophobicContact CD1-CD1 3.85Å; Y84-L133 HydrophobicContact CD1-CD2 4.38Å; Y84-L133 HydrophobicContact CD2-CD2 4.44Å; Y84-L133 HydrophobicContact CE1-CD1 3.92Å; Y84-L133 HydrophobicContact CE1-CD2 3.73Å; Y84-L133 HydrophobicContact CE1-CG 4.42Å; Y84-L133 HydrophobicContact CE2-CD2 3.8Å; Y84-L133 HydrophobicContact CG-CD1 4.21Å; Y84-L133 WeakPolarHBondContact OH-CD2 3.31Å; Y84-R139 PolarHBondContact OH-NE 3.44Å; Y84-Y142 HydrophobicContact CD2-CE1 4.05Å; Y84-Y142 HydrophobicContact CE2-CD1 4.07Å; Y84-Y142 AromaticContact CE2-CE1 3.77Å; Y84-Y142 HydrophobicContact CE2-CE1 3.77Å; Y84-D143 PolarHBondContact OH-OD1 3.25Å; Y84-D143 PolarHBondContact OH-OD2 2.79Å
85E86.3Confident83.8Confident96 Ų9674 Ų7445%0.44936%0.364SS..Hα-helixtrans-71.6-37.9177.2-68.8174.1-162.900112.1C80 N82 L87 G88C80-E85 HydrophobicContact CB-CB 4Å; N82-E85 HydrophobicContact CB-CB 4.17Å; N82-E85 HydrophobicContact CB-CG 3.94Å; N82-E85 PolarHBondContact ND2-OE1 3.09Å; N82-E85 PolarHBondContact O-N 3.13Å; N82-E85 VanDerWaalsContact O-N 3.14Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.03Å; E85-G88 PolarHBondContact O-N 3.44Å; E85-G88 VanDerWaalsContact O-N 3.1Å
86I86.4Confident84Confident10 Ų1076 Ų765%0.05137%0.374CS..Hα-helixtrans-58.8-45174.6-71.5164.3000110.3I77 C80 N82 Y83 G88 L105 I126 A129I77-I86 HydrophobicContact CG2-CG2 4.16Å; C80-I86 HydrophobicContact CB-CG1 3.72Å; N82-I86 WeakPolarHBondContact O-CG1 3.36Å; N82-I86 PolarHBondContact O-N 3.46Å; Y83-I86 HydrophobicContact CD1-CD1 4.06Å; Y83-I86 PolarHBondContact O-N 3.12Å; I86-G88 VanDerWaalsContact C-N 3.33Å; I86-L105 WeakPolarHBondContact O-CD1 3.5Å; I86-I126 HydrophobicContact CG2-CG1 4.1Å; I86-A129 HydrophobicContact CB-CB 4.21Å; I86-A129 HydrophobicContact CG2-CB 3.89Å
87L87.3Confident84.2Confident6 Ų674.8 Ų74.83%0.03137%0.374CS..Hα-helixtrans-78.4-16.2176.1-66.2-176.6000113.4Y83 Y84 E85 V89 L98 L105 I126 A129 F130 L133Y83-L87 PolarHBondContact O-N 3.05Å; Y83-L87 VanDerWaalsContact O-N 3.08Å; Y84-L87 PolarHBondContact O-N 2.98Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.03Å; L87-V89 HydrophobicContact CB-CG1 4.45Å; L87-V89 HydrophobicContact CB-CG2 3.97Å; L87-L98 HydrophobicContact CD1-CD2 3.78Å; L87-L105 HydrophobicContact CD2-CD1 4.26Å; L87-L105 WeakPolarHBondContact O-CD1 3.45Å; L87-I126 HydrophobicContact CD2-CG2 4.04Å; L87-A129 HydrophobicContact CD1-CB 4.36Å; L87-A129 HydrophobicContact CD2-CB 4.26Å; L87-A129 HydrophobicContact CG-CB 3.95Å; L87-F130 HydrophobicContact CD1-CB 4.38Å; L87-F130 HydrophobicContact CD2-CB 4.45Å; L87-L133 HydrophobicContact CD1-CD1 3.83Å
88G86.3Confident84.5Confident61 Ų6174.7 Ų74.763%0.62937%0.373SS*.THydrogen-bonded Turntrans68.538.4-178.200000113.1Y84 E85 I86Y84-G88 WeakPolarHBondContact O-CA 3.48Å; Y84-G88 PolarHBondContact O-N 3.07Å; E85-G88 PolarHBondContact O-N 3.44Å; E85-G88 VanDerWaalsContact O-N 3.1Å; I86-G88 VanDerWaalsContact C-N 3.33Å
89V89.5Confident85Confident31 Ų3171.8 Ų71.819%0.18836%0.36CS..  trans-121.6160.4-179.2-63.60000111.1Y84 L87 A93 L98 A101Y84-V89 HydrophobicContact CD1-CG2 4.07Å; Y84-V89 PolarHBondContact O-N 3.4Å; L87-V89 HydrophobicContact CB-CG1 4.45Å; L87-V89 HydrophobicContact CB-CG2 3.97Å; V89-A93 HydrophobicContact CB-CB 3.9Å; V89-A93 HydrophobicContact CG2-CB 4.16Å; V89-L98 HydrophobicContact CG2-CD2 3.82Å; V89-A101 HydrophobicContact CG1-CB 3.51Å
90S88.4Confident85.4Confident78 Ų7871.1 Ų71.155%0.54536%0.358SS..  trans-71.2158172.4-171.30000111.2Y84 D92 A93Y84-S90 WeakPolarHBondContact CD1-O 3.35Å; S90-D92 PolarHBondContact O-N 3.01Å; S90-A93 WeakPolarHBondContact O-CB 3.39Å; S90-A93 PolarHBondContact O-N 3.35Å; S90-A93 VanDerWaalsContact O-N 3.09Å
91R85.4Confident85.9Confident137 Ų13770.7 Ų70.752%0.51736%0.356SS..THydrogen-bonded Turntrans-60.8-31173.2-167.7177.8-175.7-174.71.5112.3Y84 A93 R139 D143Y84-R91 HydrophobicContact CD2-CG 4.38Å; Y84-R91 HydrophobicContact CE1-CG 4.44Å; Y84-R91 HydrophobicContact CE2-CG 3.96Å; R91-A93 VanDerWaalsContact C-N 3.25Å; R91-A93 PolarHBondContact O-N 3Å; R91-R139 PolarHBondContact O-NH2 2.91Å; R91-D143 IonicContact CZ-OD1 3.32Å; R91-D143 IonicContact NE-OD1 2.86Å; R91-D143 PolarHBondContact NE-OD1 2.87Å; R91-D143 PolarHBondContact NH2-O 2.71Å; R91-D143 VanDerWaalsContact NH2-O 3.11Å; R91-D143 IonicContact NH2-OD1 2.89Å; R91-D143 PolarHBondContact NH2-OD1 3.48Å
92D85.6Confident86.8Confident145 Ų14560.8 Ų60.878%0.77532%0.319SS*.THydrogen-bonded Turntrans-85.811.2177.8-54.9-46.8000113.4S90S90-D92 PolarHBondContact O-N 3.01Å
93A86.3Confident87Confident3 Ų362.5 Ų62.53%0.02532%0.32CS..  trans-62.2140.6-176.600000112.3V89 S90 R91 E97 R139V89-A93 HydrophobicContact CB-CB 3.9Å; V89-A93 HydrophobicContact CG2-CB 4.16Å; S90-A93 WeakPolarHBondContact O-CB 3.39Å; S90-A93 PolarHBondContact O-N 3.35Å; S90-A93 VanDerWaalsContact O-N 3.09Å; R91-A93 VanDerWaalsContact C-N 3.25Å; R91-A93 PolarHBondContact O-N 3Å; A93-E97 WeakPolarHBondContact CA-OE2 3.29Å; A93-E97 HydrophobicContact CB-CB 4.32Å; A93-R139 PolarHBondContact O-NH1 3.23Å; A93-R139 PolarHBondContact O-NH2 2.85Å
94S88.7Confident87.1Confident54 Ų5467.2 Ų67.238%0.37834%0.342SS..  trans-75.8160175.266.40000111.9E96 E97 L98S94-E96 PolarHBondContact O-N 3.16Å; S94-E97 PolarHBondContact N-OE2 3.46Å; S94-E97 VanDerWaalsContact N-OE2 3.13Å; S94-E97 WeakPolarHBondContact O-CB 3.39Å; S94-E97 PolarHBondContact O-N 3.43Å; S94-E97 WeakPolarHBondContact OG-CG 3.36Å; S94-E97 PolarHBondContact OG-N 3.48Å; S94-L98 PolarHBondContact O-N 3.21Å
95D85.4Confident87Confident67 Ų6767 Ų6736%0.35834%0.342SS..Hα-helixtrans-58.9-32178.4-66-9000112.7K99 R139D95-K99 WeakPolarHBondContact O-CB 3.35Å; D95-K99 VanDerWaalsContact O-CG 3.27Å; D95-K99 WeakPolarHBondContact O-CG 3.35Å; D95-K99 PolarHBondContact O-N 2.82Å; D95-R139 IonicContact OD1-NH1 4Å
96E84.2Confident87Confident135 Ų13562.4 Ų62.463%0.63132%0.32SS*.Hα-helixtrans-68.5-39.4176.3-63.3-169.8175.500112S94 K99 K100S94-E96 PolarHBondContact O-N 3.16Å; E96-K99 PolarHBondContact O-N 3.33Å; E96-K100 WeakPolarHBondContact O-CB 3.3Å; E96-K100 PolarHBondContact O-N 2.96Å
97E86.4Confident86.9Confident103 Ų10365.5 Ų65.548%0.48134%0.337SS..Hα-helixtrans-67.6-42175.8-72.4173165.800111.5A93 S94 K99 K100 A101A93-E97 WeakPolarHBondContact CA-OE2 3.29Å; A93-E97 HydrophobicContact CB-CB 4.32Å; S94-E97 PolarHBondContact N-OE2 3.46Å; S94-E97 VanDerWaalsContact N-OE2 3.13Å; S94-E97 WeakPolarHBondContact O-CB 3.39Å; S94-E97 PolarHBondContact O-N 3.43Å; S94-E97 WeakPolarHBondContact OG-CG 3.36Å; S94-E97 PolarHBondContact OG-N 3.48Å; E97-K99 PolarHBondContact O-N 3.16Å; E97-K100 PolarHBondContact O-N 2.91Å; E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 3.2Å
98L88.5Confident86.7Confident1 Ų171 Ų711%0.00536%0.36CS..Hα-helixtrans-57.7-47.6173.2-72.5169.9000111.1L87 V89 S94 K100 A101 Y102 F130 L133L87-L98 HydrophobicContact CD1-CD2 3.78Å; V89-L98 HydrophobicContact CG2-CD2 3.82Å; S94-L98 PolarHBondContact O-N 3.21Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 2.89Å; L98-A101 PolarHBondContact O-N 3.3Å; L98-Y102 WeakPolarHBondContact O-CB 3.39Å; L98-Y102 PolarHBondContact O-N 3.21Å; L98-F130 HydrophobicContact CB-CD2 4.41Å; L98-F130 HydrophobicContact CB-CE2 4.16Å; L98-L133 HydrophobicContact CD1-CB 4.16Å; L98-L133 HydrophobicContact CD2-CB 4.07Å; L98-L133 HydrophobicContact CD2-CD1 4.04Å
99K87Confident86.7Confident60 Ų6068.6 Ų68.626%0.26133%0.333SS..Hα-helixtrans-62.6-38.9176.6-74.2169.5-176.7177.30112.1D95 E96 E97 R103 F130D95-K99 WeakPolarHBondContact O-CB 3.35Å; D95-K99 VanDerWaalsContact O-CG 3.27Å; D95-K99 WeakPolarHBondContact O-CG 3.35Å; D95-K99 PolarHBondContact O-N 2.82Å; E96-K99 PolarHBondContact O-N 3.33Å; E97-K99 PolarHBondContact O-N 3.16Å; K99-R103 WeakPolarHBondContact O-CB 3.22Å; K99-R103 WeakPolarHBondContact O-CG 3.46Å; K99-R103 PolarHBondContact O-N 3.43Å; K99-R103 VanDerWaalsContact O-N 3.11Å; K99-R103 PolarHBondContact O-NE 2.98Å; K99-R103 VanDerWaalsContact O-NE 3.14Å; K99-F130 HydrophobicContact CB-CE2 4.42Å; K99-F130 HydrophobicContact CG-CE2 3.91Å; K99-F130 HydrophobicContact CG-CZ 3.75Å
100K86.9Confident86.4Confident149 Ų14968.8 Ų68.865%0.64833%0.331SS*.Hα-helixtrans-68.8-42.3178.3-170.8178.3-179.6-179.90111.8E96 E97 L98 K104E96-K100 WeakPolarHBondContact O-CB 3.3Å; E96-K100 PolarHBondContact O-N 2.96Å; E97-K100 PolarHBondContact O-N 2.91Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 2.89Å; K100-K104 PolarHBondContact O-N 3.02Å
101A88.6Confident85.9Confident18 Ų1867.4 Ų67.415%0.14932%0.32CS..Hα-helixtrans-64.3-47.4176.900000111.4V89 E97 L98 R103 K104 L105V89-A101 HydrophobicContact CG1-CB 3.51Å; E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 3.2Å; L98-A101 PolarHBondContact O-N 3.3Å; A101-R103 PolarHBondContact O-N 3.05Å; A101-K104 PolarHBondContact O-N 3.35Å; A101-L105 WeakPolarHBondContact O-CG 3.33Å; A101-L105 PolarHBondContact O-N 3.35Å
102Y88.4Confident85.6Confident1 Ų167.2 Ų67.20%0.00433%0.33CS..Hα-helixtrans-56.6-50.2176176.1-107.2000111.8L98 K104 L105 A106 I126 F130 L175 F179L98-Y102 WeakPolarHBondContact O-CB 3.39Å; L98-Y102 PolarHBondContact O-N 3.21Å; Y102-K104 VanDerWaalsContact C-N 3.3Å; Y102-K104 PolarHBondContact O-N 3.08Å; Y102-L105 PolarHBondContact O-N 2.96Å; Y102-A106 HydrophobicContact CE1-CB 4.37Å; Y102-A106 HydrophobicContact CE2-CB 4.19Å; Y102-A106 WeakPolarHBondContact O-CB 3.37Å; Y102-A106 PolarHBondContact O-N 3.26Å; Y102-I126 HydrophobicContact CD2-CG2 3.75Å; Y102-I126 HydrophobicContact CE2-CG2 3.99Å; Y102-F130 VanDerWaalsContact CB-CD2 3.49Å; Y102-F130 HydrophobicContact CD1-CD1 4.21Å; Y102-F130 HydrophobicContact CD1-CE1 4.39Å; Y102-F130 HydrophobicContact CD1-CG 4.27Å; Y102-F130 HydrophobicContact CD2-CB 3.55Å; Y102-F130 HydrophobicContact CD2-CD1 4.27Å; Y102-F130 HydrophobicContact CD2-CD2 4.38Å; Y102-F130 AromaticContact CD2-CG 3.8Å; Y102-F130 HydrophobicContact CD2-CG 3.8Å; Y102-F130 HydrophobicContact CE2-CB 4.17Å; Y102-F130 HydrophobicContact CG-CB 3.96Å; Y102-F130 HydrophobicContact CG-CD1 4.07Å; Y102-F130 AromaticContact CG-CD2 3.91Å; Y102-F130 HydrophobicContact CG-CD2 3.91Å; Y102-F130 HydrophobicContact CG-CE2 4.46Å; Y102-F130 AromaticContact CG-CG 3.68Å; Y102-F130 HydrophobicContact CG-CG 3.68Å; Y102-L175 HydrophobicContact CE1-CD2 4.19Å; Y102-L175 HydrophobicContact CE1-CG 4.09Å; Y102-L175 HydrophobicContact CE2-CD2 3.89Å; Y102-L175 WeakPolarHBondContact OH-CD2 3.44Å; Y102-L175 WeakPolarHBondContact OH-CG 3.45Å; Y102-F179 HydrophobicContact CD1-CD2 4.3Å; Y102-F179 HydrophobicContact CE1-CB 4.39Å; Y102-F179 HydrophobicContact CE1-CD2 4.37Å; Y102-F179 HydrophobicContact CE1-CG 4.37Å
103R86.4Confident85.3Confident100 Ų10067.1 Ų67.138%0.37732%0.322SS..Hα-helixtrans-50.2-49.5175.9-86.7-179.7-85.6-14511.5113.2K99 A101 L107 F179 F180K99-R103 WeakPolarHBondContact O-CB 3.22Å; K99-R103 WeakPolarHBondContact O-CG 3.46Å; K99-R103 PolarHBondContact O-N 3.43Å; K99-R103 VanDerWaalsContact O-N 3.11Å; K99-R103 PolarHBondContact O-NE 2.98Å; K99-R103 VanDerWaalsContact O-NE 3.14Å; A101-R103 PolarHBondContact O-N 3.05Å; R103-L107 WeakPolarHBondContact O-CG 3.3Å; R103-L107 PolarHBondContact O-N 3.44Å; R103-F179 HydrophobicContact CB-CE1 4.47Å; R103-F179 HydrophobicContact CG-CD1 3.72Å; R103-F179 HydrophobicContact CG-CE1 3Å; R103-F179 HydrophobicContact CG-CE2 4Å; R103-F179 HydrophobicContact CG-CZ 3.16Å; R103-F180 HydrophobicContact CB-CZ 4.21Å; R103-F180 HydrophobicContact CG-CE1 4.47Å; R103-F180 HydrophobicContact CG-CZ 3.9Å
104K88.4Confident84.9Confident137 Ų13767.1 Ų67.160%0.59632%0.322SS*.Hα-helixtrans-67-40.2-175.7-174.4178.7179.8-178.90111.3K100 A101 Y102 K108K100-K104 PolarHBondContact O-N 3.02Å; A101-K104 PolarHBondContact O-N 3.35Å; Y102-K104 VanDerWaalsContact C-N 3.3Å; Y102-K104 PolarHBondContact O-N 3.08Å; K104-K108 VanDerWaalsContact O-CG 3.23Å; K104-K108 WeakPolarHBondContact O-CG 3.46Å; K104-K108 PolarHBondContact O-N 3.41Å
105L87.4Confident84.3Confident14 Ų1468 Ų687%0.07333%0.327CS..Hα-helixtrans-76.9-42.6-179.3-70172.8000112I86 L87 A101 Y102 L107 K108 F109 I126I86-L105 WeakPolarHBondContact O-CD1 3.5Å; L87-L105 HydrophobicContact CD2-CD1 4.26Å; L87-L105 WeakPolarHBondContact O-CD1 3.45Å; A101-L105 WeakPolarHBondContact O-CG 3.33Å; A101-L105 PolarHBondContact O-N 3.35Å; Y102-L105 PolarHBondContact O-N 2.96Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.05Å; L105-K108 PolarHBondContact O-N 3.3Å; L105-F109 HydrophobicContact CD2-CD2 4.28Å; L105-F109 HydrophobicContact CD2-CE2 3.94Å; L105-F109 WeakPolarHBondContact O-CD2 3.49Å; L105-F109 PolarHBondContact O-N 3.46Å; L105-I126 HydrophobicContact CB-CD1 3.88Å; L105-I126 HydrophobicContact CB-CG1 4.35Å; L105-I126 HydrophobicContact CB-CG2 3.99Å
106A85.1Confident83.9Confident0 Ų065 Ų650%031%0.311CS..Hα-helixtrans-59.2-39.3178.700000112.1Y102 H110 F123 F176 F180Y102-A106 HydrophobicContact CE1-CB 4.37Å; Y102-A106 HydrophobicContact CE2-CB 4.19Å; Y102-A106 WeakPolarHBondContact O-CB 3.37Å; Y102-A106 PolarHBondContact O-N 3.26Å; A106-H110 WeakPolarHBondContact O-CB 3.36Å; A106-H110 PolarHBondContact O-N 2.99Å; A106-F123 HydrophobicContact CB-CE2 4.08Å; A106-F176 HydrophobicContact CB-CD2 3.94Å; A106-F176 HydrophobicContact CB-CE2 4.18Å; A106-F180 HydrophobicContact CB-CE2 4.36Å
107L85.3Confident83.6Confident76 Ų7662.4 Ų62.440%0.39831%0.307SS..Hα-helixtrans-69.3-32.1174.4-71.7171.2000113.6R103 L105 F176 F180R103-L107 WeakPolarHBondContact O-CG 3.3Å; R103-L107 PolarHBondContact O-N 3.44Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.05Å; L107-F176 HydrophobicContact CD2-CE2 4.4Å; L107-F176 HydrophobicContact CD2-CZ 4.4Å; L107-F180 HydrophobicContact CD1-CE1 4.01Å; L107-F180 HydrophobicContact CD1-CZ 4.19Å; L107-F180 HydrophobicContact CD2-CD1 4.47Å; L107-F180 HydrophobicContact CD2-CE1 4.02Å; L107-F180 HydrophobicContact CD2-CZ 4.21Å; L107-F180 HydrophobicContact CG-CE1 4.03Å; L107-F180 HydrophobicContact CG-CZ 3.9Å
108K83.6Confident83.2Confident120 Ų12058.5 Ų58.552%0.52229%0.294SS..Hα-helixtrans-79.2-32.8-179.2-77-179.5175.5-146.90113.2K104 L105K104-K108 VanDerWaalsContact O-CG 3.23Å; K104-K108 WeakPolarHBondContact O-CG 3.46Å; K104-K108 PolarHBondContact O-N 3.41Å; L105-K108 PolarHBondContact O-N 3.3Å
109F84.3Confident82.6Confident12 Ų1258.6 Ų58.65%0.05330%0.295CS..SBendtrans-108.512.7-176.7-68-81.2000112.9V74 I77 L105 N114 A122 I126V74-F109 HydrophobicContact CB-CE1 4.44Å; V74-F109 HydrophobicContact CG2-CD1 3.83Å; V74-F109 HydrophobicContact CG2-CE1 3.66Å; I77-F109 HydrophobicContact CD1-CD1 4.08Å; I77-F109 HydrophobicContact CD1-CD2 3.74Å; I77-F109 HydrophobicContact CD1-CE1 3.78Å; I77-F109 HydrophobicContact CD1-CE2 3.41Å; I77-F109 VanDerWaalsContact CD1-CE2 3.41Å; I77-F109 HydrophobicContact CD1-CG 4.06Å; I77-F109 HydrophobicContact CD1-CZ 3.43Å; I77-F109 VanDerWaalsContact CD1-CZ 3.43Å; L105-F109 HydrophobicContact CD2-CD2 4.28Å; L105-F109 HydrophobicContact CD2-CE2 3.94Å; L105-F109 WeakPolarHBondContact O-CD2 3.49Å; L105-F109 PolarHBondContact O-N 3.46Å; F109-N114 WeakPolarHBondContact CD1-ND2 3.41Å; F109-A122 HydrophobicContact CD1-CB 4.34Å; F109-I126 HydrophobicContact CB-CD1 3.91Å; F109-I126 HydrophobicContact CD2-CD1 3.67Å; F109-I126 HydrophobicContact CE2-CD1 4.48Å; F109-I126 HydrophobicContact CG-CD1 3.92Å
110H83.4Confident82.3Confident34 Ų3459 Ų5916%0.15730%0.303CS..  trans-59133.3175.2-166-88.4000110.2A106 D112 K113 N114 F176A106-H110 WeakPolarHBondContact O-CB 3.36Å; A106-H110 PolarHBondContact O-N 2.99Å; H110-D112 IonicContact CE1-OD1 3.92Å; H110-D112 IonicContact CE1-OD2 3.72Å; H110-D112 PolarHBondContact CE1-OD2 3.43Å; H110-D112 VanDerWaalsContact CE1-OD2 3.24Å; H110-D112 VanDerWaalsContact ND1-CB 3.34Å; H110-D112 WeakPolarHBondContact ND1-CB 3.27Å; H110-D112 PolarHBondContact ND1-N 3.37Å; H110-D112 VanDerWaalsContact ND1-N 3.14Å; H110-D112 IonicContact ND1-OD1 3.24Å; H110-D112 IonicContact ND1-OD2 2.81Å; H110-D112 PolarHBondContact O-N 3.06Å; H110-D112 VanDerWaalsContact O-N 3.14Å; H110-K113 PolarHBondContact O-N 3.2Å; H110-N114 PolarHBondContact O-N 2.94Å; H110-F176 AromaticContact CD2-CE1 3.86Å; H110-F176 AromaticContact CD2-CE2 3.88Å; H110-F176 AromaticContact CD2-CZ 3.67Å; H110-F176 AromaticContact NE2-CE1 3.82Å
111P79.7Confident82Confident49 Ų4955.9 Ų55.932%0.31829%0.293SS..THydrogen-bonded Turntrans-57.8-31.1-176.822.1-33.9000113.2K113P111-K113 VanDerWaalsContact C-N 3.33Å; P111-K113 PolarHBondContact O-N 3.02Å
112D79Confident81.7Confident133 Ų13355 Ų5571%0.71129%0.286SS*.THydrogen-bonded Turntrans-72.2-22.8177.5-59.2-1.7000114.1H110H110-D112 IonicContact CE1-OD1 3.92Å; H110-D112 IonicContact CE1-OD2 3.72Å; H110-D112 PolarHBondContact CE1-OD2 3.43Å; H110-D112 VanDerWaalsContact CE1-OD2 3.24Å; H110-D112 VanDerWaalsContact ND1-CB 3.34Å; H110-D112 WeakPolarHBondContact ND1-CB 3.27Å; H110-D112 PolarHBondContact ND1-N 3.37Å; H110-D112 VanDerWaalsContact ND1-N 3.14Å; H110-D112 IonicContact ND1-OD1 3.24Å; H110-D112 IonicContact ND1-OD2 2.81Å; H110-D112 PolarHBondContact O-N 3.06Å; H110-D112 VanDerWaalsContact O-N 3.14Å
113K77.4Confident81.5Confident144 Ų14455.1 Ų55.163%0.62629%0.286SS*.THydrogen-bonded Turntrans-107.7-20.6-176.5-65.7-170.3177.7-1720113.3Q70 H110 P111Q70-K113 PolarHBondContact NE2-O 3.02Å; H110-K113 PolarHBondContact O-N 3.2Å; P111-K113 VanDerWaalsContact C-N 3.33Å; P111-K113 PolarHBondContact O-N 3.02Å
114N78.4Confident81.5Confident3 Ų355 Ų552%0.01629%0.289CS..  trans-124.998.3-177.5-172.2-11.2000110.2F109 H110 A116 A119F109-N114 WeakPolarHBondContact CD1-ND2 3.41Å; H110-N114 PolarHBondContact O-N 2.94Å; N114-A116 PolarHBondContact O-N 3.22Å; N114-A116 WeakPolarHBondContact OD1-CB 3.5Å; N114-A116 PolarHBondContact OD1-N 3.45Å; N114-A119 HydrophobicContact CB-CB 4.22Å; N114-A119 VanDerWaalsContact O-CB 3.27Å; N114-A119 WeakPolarHBondContact O-CB 3.46Å
115C76.9Confident81.3Confident71 Ų7149.8 Ų49.848%0.4827%0.271SS..  trans-86.413.2177.8-60.60000113.2M65M65-C115 HydrophobicContact CB-CB 4.46Å
116A77.2Confident81.2Confident4 Ų449.1 Ų49.13%0.03327%0.267CS..SBendtrans-66.4143.7178.900000111.5Y66 Q70 L71 V74 N114 G118 A119Y66-A116 HydrophobicContact CG-CB 4.08Å; Q70-A116 HydrophobicContact CB-CB 4.28Å; L71-A116 HydrophobicContact CD2-CB 4.19Å; V74-A116 HydrophobicContact CG2-CB 4.27Å; N114-A116 PolarHBondContact O-N 3.22Å; N114-A116 WeakPolarHBondContact OD1-CB 3.5Å; N114-A116 PolarHBondContact OD1-N 3.45Å; A116-G118 PolarHBondContact O-N 2.93Å; A116-G118 VanDerWaalsContact O-N 3.14Å; A116-A119 VanDerWaalsContact O-CB 3.27Å; A116-A119 WeakPolarHBondContact O-CB 3.44Å; A116-A119 PolarHBondContact O-N 3.23Å
117P77.6Confident81.2Confident82 Ų8249.1 Ų49.153%0.53227%0.268SS..THydrogen-bonded Turntrans-59.3119.8176.924.2-34.6000111L71L71-P117 HydrophobicContact CD2-CG 3.63Å
118G77.8Confident81.2Confident21 Ų2148 Ų4822%0.21626%0.262CS..THydrogen-bonded Turntrans905.6-178.100000115.3V74 A116 T120 D121 A122V74-G118 VanDerWaalsContact CG1-C 3.47Å; V74-G118 WeakPolarHBondContact CG1-O 3.34Å; A116-G118 PolarHBondContact O-N 2.93Å; A116-G118 VanDerWaalsContact O-N 3.14Å; G118-T120 VanDerWaalsContact C-N 3.27Å; G118-T120 PolarHBondContact O-N 2.83Å; G118-D121 PolarHBondContact O-N 3.2Å; G118-D121 VanDerWaalsContact O-N 3.16Å; G118-A122 PolarHBondContact O-N 3.14Å
119A76.4Confident81.3Confident3 Ų342.2 Ų42.23%0.02524%0.237CC..Hα-helixtrans-58-38.9174.700000112.5V74 N114 A116 D121 A122 F123V74-A119 HydrophobicContact CG2-CB 4.07Å; N114-A119 HydrophobicContact CB-CB 4.22Å; N114-A119 VanDerWaalsContact O-CB 3.27Å; N114-A119 WeakPolarHBondContact O-CB 3.46Å; A116-A119 VanDerWaalsContact O-CB 3.27Å; A116-A119 WeakPolarHBondContact O-CB 3.44Å; A116-A119 PolarHBondContact O-N 3.23Å; A119-D121 PolarHBondContact O-N 3.23Å; A119-A122 PolarHBondContact O-N 2.88Å; A119-F123 WeakPolarHBondContact O-CB 3.47Å; A119-F123 PolarHBondContact O-N 3.28Å
120T79.4Confident81.5Confident69 Ų6942 Ų4242%0.42324%0.236SC..Hα-helixtrans-61.3-41175-46.90000112.5G118 F123 K124G118-T120 VanDerWaalsContact C-N 3.27Å; G118-T120 PolarHBondContact O-N 2.83Å; T120-F123 PolarHBondContact O-N 3.05Å; T120-K124 VanDerWaalsContact O-CG 3.32Å; T120-K124 WeakPolarHBondContact O-CG 3.39Å; T120-K124 PolarHBondContact O-N 3.22Å
121D81.9Confident81.6Confident83 Ų8340.6 Ų40.644%0.44423%0.23SC..Hα-helixtrans-67.5-42178-61.6-19.9000110.8K78 G118 A119 K124 A125K78-D121 IonicContact NZ-OD2 2.89Å; K78-D121 PolarHBondContact NZ-OD2 3.36Å; G118-D121 PolarHBondContact O-N 3.2Å; G118-D121 VanDerWaalsContact O-N 3.16Å; A119-D121 PolarHBondContact O-N 3.23Å; D121-K124 PolarHBondContact O-N 3.44Å; D121-A125 PolarHBondContact O-N 3.47Å
122A82.1Confident81.8Confident0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-64.2-40.8176.300000111.7V74 I77 F109 G118 A119 A125 I126V74-A122 HydrophobicContact CG1-CB 4.18Å; V74-A122 HydrophobicContact CG2-CB 4.35Å; I77-A122 HydrophobicContact CB-CB 4.04Å; I77-A122 HydrophobicContact CD1-CB 4.07Å; I77-A122 HydrophobicContact CG2-CB 3.84Å; F109-A122 HydrophobicContact CD1-CB 4.34Å; G118-A122 PolarHBondContact O-N 3.14Å; A119-A122 PolarHBondContact O-N 2.88Å; A122-A125 PolarHBondContact O-N 2.93Å; A122-I126 WeakPolarHBondContact O-CD1 3.28Å; A122-I126 VanDerWaalsContact O-CG1 3.28Å; A122-I126 WeakPolarHBondContact O-CG1 3.45Å; A122-I126 PolarHBondContact O-N 3.46Å
123F84.6Confident82.2Confident3 Ų332 Ų321%0.01318%0.182CC..Hα-helixtrans-61.8-43.4175.2-176.2-103.3000111.8A106 A119 T120 A125 I126 G127 P172 E173 F176A106-F123 HydrophobicContact CB-CE2 4.08Å; A119-F123 WeakPolarHBondContact O-CB 3.47Å; A119-F123 PolarHBondContact O-N 3.28Å; T120-F123 PolarHBondContact O-N 3.05Å; F123-A125 PolarHBondContact O-N 3.28Å; F123-I126 PolarHBondContact O-N 3.28Å; F123-G127 PolarHBondContact O-N 3.34Å; F123-P172 HydrophobicContact CD1-CB 4.07Å; F123-P172 HydrophobicContact CE1-CB 3.77Å; F123-E173 HydrophobicContact CE1-CG 4.48Å; F123-F176 HydrophobicContact CE2-CD2 4.41Å; F123-F176 HydrophobicContact CZ-CB 4.12Å; F123-F176 HydrophobicContact CZ-CD2 4.26Å; F123-F176 HydrophobicContact CZ-CG 4.37Å
124K84.6Confident82.5Confident97 Ų9725.9 Ų25.942%0.42216%0.157SC..Hα-helixtrans-61.6-43.4174.3-72.8174.3178.1-179.30112.3T120 D121 I126 G127 N128 P172T120-K124 VanDerWaalsContact O-CG 3.32Å; T120-K124 WeakPolarHBondContact O-CG 3.39Å; T120-K124 PolarHBondContact O-N 3.22Å; D121-K124 PolarHBondContact O-N 3.44Å; K124-I126 VanDerWaalsContact C-N 3.33Å; K124-I126 PolarHBondContact O-N 3.35Å; K124-G127 PolarHBondContact O-N 2.95Å; K124-N128 WeakPolarHBondContact O-CB 3.27Å; K124-N128 VanDerWaalsContact O-CG 3.3Å; K124-N128 PolarHBondContact O-N 2.96Å; K124-P172 HydrophobicContact CB-CG 4.41Å; K124-P172 HydrophobicContact CG-CG 4.23Å
125A84.4Confident82.7Confident27 Ų2726 Ų2622%0.22316%0.157CC..Hα-helixtrans-61.2-41.5176.200000112I77 D121 A122 F123 A129I77-A125 HydrophobicContact CG2-CB 3.99Å; D121-A125 PolarHBondContact O-N 3.47Å; A122-A125 PolarHBondContact O-N 2.93Å; F123-A125 PolarHBondContact O-N 3.28Å; A125-A129 VanDerWaalsContact O-CB 3.3Å; A125-A129 WeakPolarHBondContact O-CB 3.06Å; A125-A129 PolarHBondContact O-N 2.95Å
126I86.3Confident83.1Confident0 Ų025.9 Ų25.90%016%0.156CC..Hα-helixtrans-62.6-45.5175.1-68.2159000111.3I77 I86 L87 Y102 L105 F109 A122 F123 K124 A129 F130I77-I126 HydrophobicContact CD1-CD1 3.6Å; I77-I126 HydrophobicContact CD1-CG1 4.09Å; I77-I126 HydrophobicContact CG2-CG1 4.48Å; I86-I126 HydrophobicContact CG2-CG1 4.1Å; L87-I126 HydrophobicContact CD2-CG2 4.04Å; Y102-I126 HydrophobicContact CD2-CG2 3.75Å; Y102-I126 HydrophobicContact CE2-CG2 3.99Å; L105-I126 HydrophobicContact CB-CD1 3.88Å; L105-I126 HydrophobicContact CB-CG1 4.35Å; L105-I126 HydrophobicContact CB-CG2 3.99Å; F109-I126 HydrophobicContact CB-CD1 3.91Å; F109-I126 HydrophobicContact CD2-CD1 3.67Å; F109-I126 HydrophobicContact CE2-CD1 4.48Å; F109-I126 HydrophobicContact CG-CD1 3.92Å; A122-I126 WeakPolarHBondContact O-CD1 3.28Å; A122-I126 VanDerWaalsContact O-CG1 3.28Å; A122-I126 WeakPolarHBondContact O-CG1 3.45Å; A122-I126 PolarHBondContact O-N 3.46Å; F123-I126 PolarHBondContact O-N 3.28Å; K124-I126 VanDerWaalsContact C-N 3.33Å; K124-I126 PolarHBondContact O-N 3.35Å; I126-A129 PolarHBondContact O-N 2.95Å; I126-F130 PolarHBondContact O-N 3.43Å; I126-F130 VanDerWaalsContact O-N 3.07Å
127G85.6Confident83.2Confident1 Ų129 Ų291%0.0117%0.172CC..Hα-helixtrans-61.1-46.8178.100000112.5F123 K124 F130 A131F123-G127 PolarHBondContact O-N 3.34Å; K124-G127 PolarHBondContact O-N 2.95Å; G127-F130 PolarHBondContact O-N 2.84Å; G127-A131 WeakPolarHBondContact O-CB 3.27Å; G127-A131 PolarHBondContact O-N 3.35Å
128N83.8Confident83.4Confident51 Ų5127.1 Ų27.127%0.27316%0.156SC..Hα-helixtrans-63.3-45.7177.8-71-7.5000111.8K124 F130 A131 V132K124-N128 WeakPolarHBondContact O-CB 3.27Å; K124-N128 VanDerWaalsContact O-CG 3.3Å; K124-N128 PolarHBondContact O-N 2.96Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.5Å; N128-A131 PolarHBondContact O-N 3.29Å; N128-V132 WeakPolarHBondContact O-CG2 2.85Å; N128-V132 PolarHBondContact O-N 3.31Å
129A87.2Confident83.9Confident0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-56.9-44.8177.300000111.6Y83 I86 L87 A125 I126 L133Y83-A129 HydrophobicContact CD1-CB 3.59Å; Y83-A129 HydrophobicContact CG-CB 3.94Å; I86-A129 HydrophobicContact CB-CB 4.21Å; I86-A129 HydrophobicContact CG2-CB 3.89Å; L87-A129 HydrophobicContact CD1-CB 4.36Å; L87-A129 HydrophobicContact CD2-CB 4.26Å; L87-A129 HydrophobicContact CG-CB 3.95Å; A125-A129 VanDerWaalsContact O-CB 3.3Å; A125-A129 WeakPolarHBondContact O-CB 3.06Å; A125-A129 PolarHBondContact O-N 2.95Å; I126-A129 PolarHBondContact O-N 2.95Å; A129-L133 VanDerWaalsContact O-CB 3.3Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.22Å; A129-L133 WeakPolarHBondContact O-CG 3.05Å; A129-L133 PolarHBondContact O-N 3.37Å
130F87.7Confident84.2Confident7 Ų733.3 Ų33.33%0.03118%0.179CC..Hα-helixtrans-68.8-42.5177.4-178.1-98.6000112.5L87 L98 K99 Y102 I126 G127 N128 V132 L133 S134 L175 F192L87-F130 HydrophobicContact CD1-CB 4.38Å; L87-F130 HydrophobicContact CD2-CB 4.45Å; L98-F130 HydrophobicContact CB-CD2 4.41Å; L98-F130 HydrophobicContact CB-CE2 4.16Å; K99-F130 HydrophobicContact CB-CE2 4.42Å; K99-F130 HydrophobicContact CG-CE2 3.91Å; K99-F130 HydrophobicContact CG-CZ 3.75Å; Y102-F130 VanDerWaalsContact CB-CD2 3.49Å; Y102-F130 HydrophobicContact CD1-CD1 4.21Å; Y102-F130 HydrophobicContact CD1-CE1 4.39Å; Y102-F130 HydrophobicContact CD1-CG 4.27Å; Y102-F130 HydrophobicContact CD2-CB 3.55Å; Y102-F130 HydrophobicContact CD2-CD1 4.27Å; Y102-F130 HydrophobicContact CD2-CD2 4.38Å; Y102-F130 AromaticContact CD2-CG 3.8Å; Y102-F130 HydrophobicContact CD2-CG 3.8Å; Y102-F130 HydrophobicContact CE2-CB 4.17Å; Y102-F130 HydrophobicContact CG-CB 3.96Å; Y102-F130 HydrophobicContact CG-CD1 4.07Å; Y102-F130 AromaticContact CG-CD2 3.91Å; Y102-F130 HydrophobicContact CG-CD2 3.91Å; Y102-F130 HydrophobicContact CG-CE2 4.46Å; Y102-F130 AromaticContact CG-CG 3.68Å; Y102-F130 HydrophobicContact CG-CG 3.68Å; I126-F130 PolarHBondContact O-N 3.43Å; I126-F130 VanDerWaalsContact O-N 3.07Å; G127-F130 PolarHBondContact O-N 2.84Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.5Å; F130-V132 VanDerWaalsContact C-N 3.28Å; F130-V132 PolarHBondContact O-N 3.06Å; F130-L133 PolarHBondContact O-N 3.02Å; F130-S134 WeakPolarHBondContact O-CB 3.36Å; F130-S134 PolarHBondContact O-N 3.42Å; F130-S134 PolarHBondContact O-OG 3.14Å; F130-L175 HydrophobicContact CD1-CD1 4.2Å; F130-L175 HydrophobicContact CD1-CD2 3.76Å; F130-L175 HydrophobicContact CD1-CG 4.45Å; F130-L175 HydrophobicContact CE1-CD1 4.18Å; F130-F192 HydrophobicContact CE1-CE2 4.16Å; F130-F192 HydrophobicContact CE1-CZ 4.44Å
131A84.7Confident84.2Confident4 Ų436.3 Ų36.33%0.03318%0.183CC..Hα-helixtrans-61.2-36.1-179.700000112.9G127 N128 A168 F192G127-A131 WeakPolarHBondContact O-CB 3.27Å; G127-A131 PolarHBondContact O-N 3.35Å; N128-A131 PolarHBondContact O-N 3.29Å; A131-A168 HydrophobicContact CB-CB 3.51Å; A131-F192 HydrophobicContact CB-CE1 4.39Å
132V84.3Confident84.3Confident3 Ų332.9 Ų32.92%0.01816%0.164CC..Hα-helixtrans-74.6-49.2175.4176.90000110.9Y83 N128 F130 S134 K138 R139 Y142 F166Y83-V132 HydrophobicContact CD2-CB 4.08Å; Y83-V132 HydrophobicContact CD2-CG1 3.98Å; Y83-V132 HydrophobicContact CE2-CB 3.96Å; Y83-V132 HydrophobicContact CE2-CG1 3.87Å; Y83-V132 HydrophobicContact CE2-CG2 3.91Å; N128-V132 WeakPolarHBondContact O-CG2 2.85Å; N128-V132 PolarHBondContact O-N 3.31Å; F130-V132 VanDerWaalsContact C-N 3.28Å; F130-V132 PolarHBondContact O-N 3.06Å; V132-S134 PolarHBondContact O-N 3.01Å; V132-K138 HydrophobicContact CG1-CB 4.26Å; V132-R139 PolarHBondContact O-N 2.89Å; V132-Y142 HydrophobicContact CG1-CD2 4.49Å; V132-Y142 HydrophobicContact CG1-CG 4.2Å; V132-F166 HydrophobicContact CG1-CD1 4.07Å; V132-F166 HydrophobicContact CG1-CE1 4.02Å; V132-F166 HydrophobicContact CG2-CD1 4.02Å
133L86.8Confident84.4Confident0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-74.4-22.8-173.9-66.6-180000114.4Y84 L87 L98 A129 F130 R139 Y142Y84-L133 HydrophobicContact CD1-CD1 3.85Å; Y84-L133 HydrophobicContact CD1-CD2 4.38Å; Y84-L133 HydrophobicContact CD2-CD2 4.44Å; Y84-L133 HydrophobicContact CE1-CD1 3.92Å; Y84-L133 HydrophobicContact CE1-CD2 3.73Å; Y84-L133 HydrophobicContact CE1-CG 4.42Å; Y84-L133 HydrophobicContact CE2-CD2 3.8Å; Y84-L133 HydrophobicContact CG-CD1 4.21Å; Y84-L133 WeakPolarHBondContact OH-CD2 3.31Å; L87-L133 HydrophobicContact CD1-CD1 3.83Å; L98-L133 HydrophobicContact CD1-CB 4.16Å; L98-L133 HydrophobicContact CD2-CB 4.07Å; L98-L133 HydrophobicContact CD2-CD1 4.04Å; A129-L133 VanDerWaalsContact O-CB 3.3Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.22Å; A129-L133 WeakPolarHBondContact O-CG 3.05Å; A129-L133 PolarHBondContact O-N 3.37Å; F130-L133 PolarHBondContact O-N 3.02Å; L133-R139 HydrophobicContact CD2-CG 4.19Å; L133-Y142 HydrophobicContact CD2-CD1 3.98Å; L133-Y142 HydrophobicContact CD2-CE1 4.32Å
134S84.4Confident84.2Confident15 Ų1541.4 Ų41.411%0.10521%0.205CC..THydrogen-bonded Turntrans-81.8-14.8179.759.90000114F130 V132 F192F130-S134 WeakPolarHBondContact O-CB 3.36Å; F130-S134 PolarHBondContact O-N 3.42Å; F130-S134 PolarHBondContact O-OG 3.14Å; V132-S134 PolarHBondContact O-N 3.01Å; S134-F192 WeakPolarHBondContact OG-CD2 2.97Å; S134-F192 WeakPolarHBondContact OG-CE2 3.11Å
135N83.4Confident83.5Confident4 Ų444.6 Ų44.62%0.02122%0.216CC..SBendtrans-95.5121.9171.8-176.5-25.7000109.2D137 K138 R139 F192N135-D137 VanDerWaalsContact C-N 3.27Å; N135-D137 PolarHBondContact O-N 2.95Å; N135-D137 WeakPolarHBondContact OD1-CB 3.11Å; N135-D137 PolarHBondContact OD1-N 2.89Å; N135-K138 HydrophobicContact CB-CB 3.99Å; N135-K138 HydrophobicContact CB-CD 4.24Å; N135-K138 HydrophobicContact CB-CG 4.03Å; N135-K138 PolarHBondContact O-N 3.12Å; N135-R139 WeakPolarHBondContact O-CB 3.41Å; N135-R139 PolarHBondContact O-N 3.28Å; N135-F192 HydrophobicContact CB-CB 3.56Å; N135-F192 HydrophobicContact CB-CG 4.37Å; N135-F192 PolarHBondContact ND2-O 3.24Å
136P83.8Confident82.6Confident70 Ų7045.1 Ų45.146%0.45522%0.224SC..Hα-helixtrans-58.4-37.8179.724.7-34.5000112.9L140P136-L140 WeakPolarHBondContact O-CB 3.39Å; P136-L140 PolarHBondContact O-N 3.35Å
137D80.8Confident81.2Confident68 Ų6847.5 Ų47.536%0.36424%0.237SC..Hα-helixtrans-70.6-42.5-179.1-63.7-25.3000111.3N135 R141 N194N135-D137 VanDerWaalsContact C-N 3.27Å; N135-D137 PolarHBondContact O-N 2.95Å; N135-D137 WeakPolarHBondContact OD1-CB 3.11Å; N135-D137 PolarHBondContact OD1-N 2.89Å; D137-R141 WeakPolarHBondContact O-CG 3.46Å; D137-R141 PolarHBondContact O-N 2.92Å; D137-R141 VanDerWaalsContact O-N 3.16Å; D137-N194 PolarHBondContact OD2-ND2 3.3Å; D137-N194 VanDerWaalsContact OD2-ND2 3.12Å
138K82.3Confident79.4Confident44 Ų4454.9 Ų54.919%0.19127%0.271CS..Hα-helixtrans-74-35.3178.4-59.8-175.8179.1-1720111.6V132 N135 R141 Y142 D169V132-K138 HydrophobicContact CG1-CB 4.26Å; N135-K138 HydrophobicContact CB-CB 3.99Å; N135-K138 HydrophobicContact CB-CD 4.24Å; N135-K138 HydrophobicContact CB-CG 4.03Å; N135-K138 PolarHBondContact O-N 3.12Å; K138-R141 PolarHBondContact O-N 3.35Å; K138-Y142 WeakPolarHBondContact O-CB 3.2Å; K138-Y142 PolarHBondContact O-N 3.23Å; K138-D169 IonicContact NZ-OD2 3.68Å; K138-D169 PolarHBondContact NZ-OD2 3.05Å
139R86.6Confident77.5Confident40 Ų4060.1 Ų60.115%0.15129%0.294CS..Hα-helixtrans-61.2-46.6172.4-178.9177.4176.4167.33.2110.8Y84 R91 A93 D95 V132 L133 N135 R141 Y142 D143Y84-R139 PolarHBondContact OH-NE 3.44Å; R91-R139 PolarHBondContact O-NH2 2.91Å; A93-R139 PolarHBondContact O-NH1 3.23Å; A93-R139 PolarHBondContact O-NH2 2.85Å; D95-R139 IonicContact OD1-NH1 4Å; V132-R139 PolarHBondContact O-N 2.89Å; L133-R139 HydrophobicContact CD2-CG 4.19Å; N135-R139 WeakPolarHBondContact O-CB 3.41Å; N135-R139 PolarHBondContact O-N 3.28Å; R139-R141 PolarHBondContact O-N 3.07Å; R139-Y142 PolarHBondContact O-N 2.64Å; R139-D143 IonicContact NE-OD2 3.36Å; R139-D143 WeakPolarHBondContact O-CB 3.37Å; R139-D143 PolarHBondContact O-N 3.11Å
140L83.6Confident75.1Confident113 Ų11364.2 Ų64.259%0.59232%0.318SS*.Hα-helixtrans-59.6-46.5177.3-175.468.9000111.6P136 Y142 D143 E144P136-L140 WeakPolarHBondContact O-CB 3.39Å; P136-L140 PolarHBondContact O-N 3.35Å; L140-Y142 PolarHBondContact O-N 3.05Å; L140-D143 PolarHBondContact O-N 3.32Å; L140-E144 WeakPolarHBondContact O-CB 3.37Å; L140-E144 PolarHBondContact O-N 3.02Å
141R80.3Confident72.6Confident133 Ų13369.6 Ų69.650%0.50235%0.352SS..Hα-helixtrans-61.3-43.2175.4-69.6178.6-172.6-172.83.8112D137 K138 R139 D143 E144 Y145 F166D137-R141 WeakPolarHBondContact O-CG 3.46Å; D137-R141 PolarHBondContact O-N 2.92Å; D137-R141 VanDerWaalsContact O-N 3.16Å; K138-R141 PolarHBondContact O-N 3.35Å; R139-R141 PolarHBondContact O-N 3.07Å; R141-D143 VanDerWaalsContact C-N 3.33Å; R141-D143 PolarHBondContact O-N 2.89Å; R141-E144 PolarHBondContact O-N 3.2Å; R141-Y145 VanDerWaalsContact O-CD2 3.29Å; R141-Y145 WeakPolarHBondContact O-CD2 3.48Å; R141-Y145 PolarHBondContact O-N 3.26Å; R141-F166 HydrophobicContact CB-CZ 4.35Å
142Y82.9Confident70.1Confident11 Ų1177.8 Ų77.84%0.04339%0.387CS..Hα-helixtrans-63.1-40.1176.4179.4-104000112.1N82 Y83 Y84 V132 L133 K138 R139 L140 E144 G146 D147 F166N82-Y142 WeakPolarHBondContact CA-OH 3.23Å; Y83-Y142 HydrophobicContact CD2-CD1 4.08Å; Y83-Y142 AromaticContact CD2-CD2 3.5Å; Y83-Y142 HydrophobicContact CD2-CD2 3.5Å; Y83-Y142 VanDerWaalsContact CD2-CD2 3.5Å; Y83-Y142 AromaticContact CD2-CE1 3.78Å; Y83-Y142 HydrophobicContact CD2-CE1 3.78Å; Y83-Y142 AromaticContact CD2-CE2 3.16Å; Y83-Y142 HydrophobicContact CD2-CE2 3.16Å; Y83-Y142 AromaticContact CD2-CG 3.94Å; Y83-Y142 HydrophobicContact CD2-CG 3.94Å; Y83-Y142 AromaticContact CD2-CZ 3.31Å; Y83-Y142 AromaticContact CE2-CD2 3.49Å; Y83-Y142 HydrophobicContact CE2-CD2 3.49Å; Y83-Y142 VanDerWaalsContact CE2-CD2 3.49Å; Y83-Y142 AromaticContact CE2-CE2 3.32Å; Y83-Y142 HydrophobicContact CE2-CE2 3.32Å; Y83-Y142 HydrophobicContact CE2-CG 4.26Å; Y83-Y142 AromaticContact CE2-CZ 3.98Å; Y83-Y142 HydrophobicContact CG-CE1 4.32Å; Y83-Y142 HydrophobicContact CG-CE2 4.04Å; Y83-Y142 AromaticContact CG-CZ 3.82Å; Y83-Y142 PolarHBondContact N-OH 2.81Å; Y84-Y142 HydrophobicContact CD2-CE1 4.05Å; Y84-Y142 HydrophobicContact CE2-CD1 4.07Å; Y84-Y142 AromaticContact CE2-CE1 3.77Å; Y84-Y142 HydrophobicContact CE2-CE1 3.77Å; V132-Y142 HydrophobicContact CG1-CD2 4.49Å; V132-Y142 HydrophobicContact CG1-CG 4.2Å; L133-Y142 HydrophobicContact CD2-CD1 3.98Å; L133-Y142 HydrophobicContact CD2-CE1 4.32Å; K138-Y142 WeakPolarHBondContact O-CB 3.2Å; K138-Y142 PolarHBondContact O-N 3.23Å; R139-Y142 PolarHBondContact O-N 2.64Å; L140-Y142 PolarHBondContact O-N 3.05Å; Y142-E144 VanDerWaalsContact C-N 3.31Å; Y142-E144 PolarHBondContact O-N 3.45Å; Y142-G146 VanDerWaalsContact O-CA 3.28Å; Y142-G146 WeakPolarHBondContact O-CA 3.3Å; Y142-G146 PolarHBondContact O-N 3.14Å; Y142-D147 HydrophobicContact CE2-CB 4.16Å; Y142-D147 PolarHBondContact OH-OD2 2.92Å; Y142-F166 HydrophobicContact CD2-CE1 4.42Å
143D85.4Confident67.8Low46 Ų4684.3 Ų84.325%0.24643%0.427CS..Hα-helixtrans-68-28.5177.1-85.3-43.3000113.3Y84 R91 R139 L140 R141Y84-D143 PolarHBondContact OH-OD1 3.25Å; Y84-D143 PolarHBondContact OH-OD2 2.79Å; R91-D143 IonicContact CZ-OD1 3.32Å; R91-D143 IonicContact NE-OD1 2.86Å; R91-D143 PolarHBondContact NE-OD1 2.87Å; R91-D143 PolarHBondContact NH2-O 2.71Å; R91-D143 VanDerWaalsContact NH2-O 3.11Å; R91-D143 IonicContact NH2-OD1 2.89Å; R91-D143 PolarHBondContact NH2-OD1 3.48Å; R139-D143 IonicContact NE-OD2 3.36Å; R139-D143 WeakPolarHBondContact O-CB 3.37Å; R139-D143 PolarHBondContact O-N 3.11Å; L140-D143 PolarHBondContact O-N 3.32Å; R141-D143 VanDerWaalsContact C-N 3.33Å; R141-D143 PolarHBondContact O-N 2.89Å
144E79.1Confident65.2Low135 Ų13587.9 Ų87.963%0.63146%0.457SS*.Hα-helixtrans-83.5-45.1-179.8-172.4176.2-162.600112.8L140 R141 Y142L140-E144 WeakPolarHBondContact O-CB 3.37Å; L140-E144 PolarHBondContact O-N 3.02Å; R141-E144 PolarHBondContact O-N 3.2Å; Y142-E144 VanDerWaalsContact C-N 3.31Å; Y142-E144 PolarHBondContact O-N 3.45Å
145Y70.8Confident63.1Low164 Ų16492.5 Ų92.564%0.64349%0.486SS*.Hα-helixtrans-95.7-14.7-176-65.6-80.5000113.8R141R141-Y145 VanDerWaalsContact O-CD2 3.29Å; R141-Y145 WeakPolarHBondContact O-CD2 3.48Å; R141-Y145 PolarHBondContact O-N 3.26Å
146G64.1Low60.9Low38 Ų38104 Ų10439%0.39253%0.529SS..THydrogen-bonded Turntrans66.5178.3-179.300000114.2Y142 E148Y142-G146 VanDerWaalsContact O-CA 3.28Å; Y142-G146 WeakPolarHBondContact O-CA 3.3Å; Y142-G146 PolarHBondContact O-N 3.14Å; G146-E148 PolarHBondContact O-N 3.36Å; G146-E148 VanDerWaalsContact O-N 3.11Å
147D57.2Low58.4Low50 Ų50105.1 Ų105.127%0.26755%0.545SS..THydrogen-bonded Turntrans-8024.8177.3-130.1-37.5000113N82 Y142 Q149N82-D147 VanDerWaalsContact CA-OD2 3.26Å; N82-D147 WeakPolarHBondContact CA-OD2 3.32Å; Y142-D147 HydrophobicContact CE2-CB 4.16Å; Y142-D147 PolarHBondContact OH-OD2 2.92Å; D147-Q149 VanDerWaalsContact C-N 3.3Å; D147-Q149 PolarHBondContact O-N 2.83Å
148E47.9Very low56.1Low157 Ų157112.9 Ų112.973%0.73457%0.569SS**  trans-64.999.7175.3-75.6-163163.200107.7G146 V150G146-E148 PolarHBondContact O-N 3.36Å; G146-E148 VanDerWaalsContact O-N 3.11Å; E148-V150 HydrophobicContact CB-CG2 4.26Å; E148-V150 WeakPolarHBondContact O-CG2 3.39Å; E148-V150 PolarHBondContact O-N 3.25Å
149Q44.8Very low53.6Low161 Ų161116.6 Ų116.675%0.75260%0.598SS**  trans-55.687.8152.5-72.1-169.26.900106.7D147 T151D147-Q149 VanDerWaalsContact C-N 3.3Å; D147-Q149 PolarHBondContact O-N 2.83Å; Q149-T151 PolarHBondContact O-N 3.09Å
150V35.8Very low51.1Low85 Ų85125.1 Ų125.152%0.51563%0.632SS.*  trans-65.885.1169.1177.20000106.4E148 F152E148-V150 HydrophobicContact CB-CG2 4.26Å; E148-V150 WeakPolarHBondContact O-CG2 3.39Å; E148-V150 PolarHBondContact O-N 3.25Å; V150-F152 HydrophobicContact CB-CD2 4.36Å; V150-F152 HydrophobicContact CG1-CB 3.79Å; V150-F152 HydrophobicContact CG1-CD2 2.87Å; V150-F152 HydrophobicContact CG1-CE2 3.4Å; V150-F152 VanDerWaalsContact CG1-CE2 3.4Å; V150-F152 HydrophobicContact CG1-CG 3.55Å; V150-F152 HydrophobicContact CG1-CZ 4.49Å; V150-F152 PolarHBondContact O-N 3.45Å
151T36.8Very low48.7Very low120 Ų120126 Ų12674%0.73664%0.637SS**  trans-69.765.7155.339.40000106.9Q149 T153Q149-T151 PolarHBondContact O-N 3.09Å; T151-T153 PolarHBondContact O-N 3.16Å
152F30.9Very low46.7Very low177 Ų177129.8 Ų129.878%0.77665%0.652SS**  trans-68.693.6164.2-99.1-55.8000107.2V150 A154V150-F152 HydrophobicContact CB-CD2 4.36Å; V150-F152 HydrophobicContact CG1-CB 3.79Å; V150-F152 HydrophobicContact CG1-CD2 2.87Å; V150-F152 HydrophobicContact CG1-CE2 3.4Å; V150-F152 VanDerWaalsContact CG1-CE2 3.4Å; V150-F152 HydrophobicContact CG1-CG 3.55Å; V150-F152 HydrophobicContact CG1-CZ 4.49Å; V150-F152 PolarHBondContact O-N 3.45Å; F152-A154 PolarHBondContact O-N 2.89Å
153T37.2Very low44.7Very low139 Ų139138.1 Ų138.185%0.85369%0.685SS**  trans-71.976.9157.341.50000107.9T151T151-T153 PolarHBondContact O-N 3.16Å
154A31.4Very low42.8Very low75 Ų75145.5 Ų145.562%0.6271%0.71SS**  trans-103.5121.7169.700000109.5F152F152-A154 PolarHBondContact O-N 2.89Å
155P39.5Very low41.1Very low112 Ų112144 Ų14473%0.72771%0.706SS**SBendtrans-81.1132.6-179.631.8-29.8000109.7
156R37.8Very low39.8Very low245 Ų245139.6 Ų139.693%0.92569%0.69SS**SBendtrans82.265.7169.7-50.9-173167.3104.4-0.4117.1
157A31.3Very low39.1Very low95 Ų95143 Ų14379%0.78570%0.696SS**SBendtrans-153.2147.4145.600000108.7
158R31.8Very low38.9Very low231 Ų231141.6 Ų141.687%0.87269%0.691SS**  trans-56.3143.8-175.9-62.7-159174.7-1440.9111.3Y160R158-Y160 VanDerWaalsContact C-N 3.32Å; R158-Y160 PolarHBondContact O-N 2.96Å
159P31.5Very low39.3Very low122 Ų122140.7 Ų140.779%0.79269%0.691SS**  trans-77.983.3-170.333.3-33.3000109.9N161P159-N161 PolarHBondContact O-N 3.01Å
160Y32.1Very low40.1Very low219 Ų219135.3 Ų135.386%0.85967%0.667SS**  trans-72.7106.8153.8-97.2-93.5000106.7R158 Y162R158-Y160 VanDerWaalsContact C-N 3.32Å; R158-Y160 PolarHBondContact O-N 2.96Å; Y160-Y162 PolarHBondContact O-N 2.94Å
161N33.6Very low41.7Very low131 Ų131134.7 Ų134.770%0.70166%0.664SS**  trans-53.4100.6174.1-89.6-25.3000110.2P159 Y163 R164P159-N161 PolarHBondContact O-N 3.01Å; N161-Y163 PolarHBondContact O-N 3.43Å; N161-Y163 VanDerWaalsContact O-N 3.09Å; N161-R164 PolarHBondContact O-N 2.73Å
162Y38.3Very low43.2Very low212 Ų212129.7 Ų129.783%0.83163%0.633SS**G310 helixtrans-63.3-6.3167.8-134.2-93.1000112.7Y160 R164Y160-Y162 PolarHBondContact O-N 2.94Å; Y162-R164 PolarHBondContact O-N 3.14Å
163Y42.2Very low45Very low187 Ų187124.9 Ų124.973%0.73361%0.613SS**G310 helixtrans-64.9-14.6173.5-138.1-93.8000114N161N161-Y163 PolarHBondContact O-N 3.43Å; N161-Y163 VanDerWaalsContact O-N 3.09Å
164R43.9Very low46.5Very low201 Ų201123.1 Ų123.176%0.75860%0.595SS**G310 helixtrans-88.1-8.5-171.5-150.2178.6176.7-169.2-8.1114.7N161 Y162N161-R164 PolarHBondContact O-N 2.73Å; Y162-R164 PolarHBondContact O-N 3.14Å
165D43.9Very low48.4Very low102 Ų102119.9 Ų119.955%0.54557%0.567SS.*SBendtrans-90.6-18.2-175.9-146.736.8000113.2
166F43.7Very low50.1Low73 Ų73115.8 Ų115.832%0.3254%0.538SS..SBendtrans-114.12.5173.1-83.9-85.1000113.5V132 R141 Y142 A168V132-F166 HydrophobicContact CG1-CD1 4.07Å; V132-F166 HydrophobicContact CG1-CE1 4.02Å; V132-F166 HydrophobicContact CG2-CD1 4.02Å; R141-F166 HydrophobicContact CB-CZ 4.35Å; Y142-F166 HydrophobicContact CD2-CE1 4.42Å; F166-A168 PolarHBondContact O-N 2.94Å
167E49.4Very low51.9Low110 Ų110108.8 Ų108.851%0.51452%0.519SS..SBendtrans-74.6124.5172.9-160.4165.4-161.700108.4D169E167-D169 PolarHBondContact O-N 2.96Å
168A53.7Low53.9Low19 Ų19106.6 Ų106.616%0.15750%0.496CS..  trans-56.1127.8178.800000109.6A131 F166 I170A131-A168 HydrophobicContact CB-CB 3.51Å; F166-A168 PolarHBondContact O-N 2.94Å; A168-I170 VanDerWaalsContact CB-O 3.3Å; A168-I170 WeakPolarHBondContact CB-O 3.37Å; A168-I170 PolarHBondContact O-N 3.46Å
169D55.6Low55.7Low139 Ų13997.1 Ų97.174%0.74346%0.461SS*.SBendtrans-62.5-6175.1-58.1-64.8000112.7K138 E167K138-D169 IonicContact NZ-OD2 3.68Å; K138-D169 PolarHBondContact NZ-OD2 3.05Å; E167-D169 PolarHBondContact O-N 2.96Å
170I60.9Low57.7Low48 Ų4894.9 Ų94.925%0.24644%0.439CS..SBendtrans-127.7130-177.2-56.8177.1000107.7A168 E174 L175 F192A168-I170 VanDerWaalsContact CB-O 3.3Å; A168-I170 WeakPolarHBondContact CB-O 3.37Å; A168-I170 PolarHBondContact O-N 3.46Å; I170-E174 HydrophobicContact CG2-CB 3.71Å; I170-E174 HydrophobicContact CG2-CG 3.7Å; I170-L175 HydrophobicContact CG2-CB 4.11Å; I170-F192 HydrophobicContact CD1-CE1 3.97Å
171T70.3Confident59.2Low72 Ų7286.5 Ų86.544%0.44242%0.419SS..  trans-65.4147.9176.659.70000111E173 E174 L175T171-E173 WeakPolarHBondContact CB-OE2 3.5Å; T171-E173 PolarHBondContact O-N 2.83Å; T171-E173 VanDerWaalsContact O-N 3.11Å; T171-E174 PolarHBondContact O-N 2.94Å; T171-E174 WeakPolarHBondContact OG1-CB 3.33Å; T171-E174 PolarHBondContact OG1-N 2.89Å; T171-L175 WeakPolarHBondContact O-CB 3.14Å; T171-L175 PolarHBondContact O-N 3.2Å
172P68Low60Low14 Ų1483.9 Ų83.99%0.09142%0.423CS..Hα-helixtrans-53.3-32.8175.9-28.837000113.3F123 K124 F176F123-P172 HydrophobicContact CD1-CB 4.07Å; F123-P172 HydrophobicContact CE1-CB 3.77Å; K124-P172 HydrophobicContact CB-CG 4.41Å; K124-P172 HydrophobicContact CG-CG 4.23Å; P172-F176 WeakPolarHBondContact O-CB 3.35Å; P172-F176 PolarHBondContact O-N 2.94Å
173E69.4Low60.4Low76 Ų7681.6 Ų81.636%0.35542%0.419SS..Hα-helixtrans-70.1-41.2175.2-59.978.7-170.800112.1F123 T171 F176 N177F123-E173 HydrophobicContact CE1-CG 4.48Å; T171-E173 WeakPolarHBondContact CB-OE2 3.5Å; T171-E173 PolarHBondContact O-N 2.83Å; T171-E173 VanDerWaalsContact O-N 3.11Å; E173-F176 WeakPolarHBondContact O-CB 3.43Å; E173-F176 PolarHBondContact O-N 2.8Å; E173-N177 WeakPolarHBondContact O-CB 3.4Å; E173-N177 PolarHBondContact O-N 3.28Å; E173-N177 PolarHBondContact O-ND2 3.06Å
174E67.8Low60.6Low103 Ų10377 Ų7748%0.48140%0.404SS..Hα-helixtrans-69.5-39.4175.4-174.4173.4-165.400111.7I170 T171 F176 N177 V178I170-E174 HydrophobicContact CG2-CB 3.71Å; I170-E174 HydrophobicContact CG2-CG 3.7Å; T171-E174 PolarHBondContact O-N 2.94Å; T171-E174 WeakPolarHBondContact OG1-CB 3.33Å; T171-E174 PolarHBondContact OG1-N 2.89Å; E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 2.86Å; E174-N177 PolarHBondContact O-N 2.96Å; E174-V178 WeakPolarHBondContact O-CB 3.07Å; E174-V178 VanDerWaalsContact O-CG2 3.24Å; E174-V178 WeakPolarHBondContact O-CG2 3.43Å; E174-V178 PolarHBondContact O-N 3.37Å
175L72.5Confident60.8Low6 Ų670.8 Ų70.83%0.03139%0.389CS..Hα-helixtrans-60.4-42.3171.1178.363.8000111.3Y102 F130 I170 T171 F179 F192Y102-L175 HydrophobicContact CE1-CD2 4.19Å; Y102-L175 HydrophobicContact CE1-CG 4.09Å; Y102-L175 HydrophobicContact CE2-CD2 3.89Å; Y102-L175 WeakPolarHBondContact OH-CD2 3.44Å; Y102-L175 WeakPolarHBondContact OH-CG 3.45Å; F130-L175 HydrophobicContact CD1-CD1 4.2Å; F130-L175 HydrophobicContact CD1-CD2 3.76Å; F130-L175 HydrophobicContact CD1-CG 4.45Å; F130-L175 HydrophobicContact CE1-CD1 4.18Å; I170-L175 HydrophobicContact CG2-CB 4.11Å; T171-L175 WeakPolarHBondContact O-CB 3.14Å; T171-L175 PolarHBondContact O-N 3.2Å; L175-F179 WeakPolarHBondContact O-CB 3.5Å; L175-F179 PolarHBondContact O-N 3.11Å; L175-F192 HydrophobicContact CD1-CZ 3.79Å
176F74.4Confident60.8Low26 Ų2673.1 Ų73.111%0.11441%0.407CS..Hα-helixtrans-63.9-44.1173.8-176.9-90.1000111.8A106 L107 H110 F123 P172 E173 E174 V178 F179 F180A106-F176 HydrophobicContact CB-CD2 3.94Å; A106-F176 HydrophobicContact CB-CE2 4.18Å; L107-F176 HydrophobicContact CD2-CE2 4.4Å; L107-F176 HydrophobicContact CD2-CZ 4.4Å; H110-F176 AromaticContact CD2-CE1 3.86Å; H110-F176 AromaticContact CD2-CE2 3.88Å; H110-F176 AromaticContact CD2-CZ 3.67Å; H110-F176 AromaticContact NE2-CE1 3.82Å; F123-F176 HydrophobicContact CE2-CD2 4.41Å; F123-F176 HydrophobicContact CZ-CB 4.12Å; F123-F176 HydrophobicContact CZ-CD2 4.26Å; F123-F176 HydrophobicContact CZ-CG 4.37Å; P172-F176 WeakPolarHBondContact O-CB 3.35Å; P172-F176 PolarHBondContact O-N 2.94Å; E173-F176 WeakPolarHBondContact O-CB 3.43Å; E173-F176 PolarHBondContact O-N 2.8Å; E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 2.86Å; F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 3.19Å; F176-F179 CarbonylContact O-C 3.51Å; F176-F179 WeakPolarHBondContact O-CA 3.5Å; F176-F179 PolarHBondContact O-N 3.14Å; F176-F180 HydrophobicContact CD1-CB 4.34Å; F176-F180 HydrophobicContact CD1-CD2 4.16Å; F176-F180 AromaticContact CD2-CD2 3.31Å; F176-F180 HydrophobicContact CD2-CD2 3.31Å; F176-F180 AromaticContact CD2-CE2 3.55Å; F176-F180 HydrophobicContact CD2-CE2 3.55Å; F176-F180 HydrophobicContact CD2-CG 4.35Å; F176-F180 HydrophobicContact CE1-CB 3.91Å; F176-F180 HydrophobicContact CE1-CD2 4.04Å; F176-F180 HydrophobicContact CE1-CG 4.21Å; F176-F180 HydrophobicContact CE2-CB 4.48Å; F176-F180 AromaticContact CE2-CD2 3.18Å; F176-F180 HydrophobicContact CE2-CD2 3.18Å; F176-F180 AromaticContact CE2-CE2 3.37Å; F176-F180 HydrophobicContact CE2-CE2 3.37Å; F176-F180 AromaticContact CE2-CG 3.9Å; F176-F180 HydrophobicContact CE2-CG 3.9Å; F176-F180 HydrophobicContact CE2-CZ 4.21Å; F176-F180 AromaticContact CG-CD2 3.82Å; F176-F180 HydrophobicContact CG-CD2 3.82Å; F176-F180 HydrophobicContact CG-CE2 4.45Å; F176-F180 HydrophobicContact CZ-CB 3.99Å; F176-F180 AromaticContact CZ-CD2 3.56Å; F176-F180 HydrophobicContact CZ-CD2 3.56Å; F176-F180 HydrophobicContact CZ-CE2 4.15Å; F176-F180 AromaticContact CZ-CG 3.82Å; F176-F180 HydrophobicContact CZ-CG 3.82Å; F176-F180 WeakPolarHBondContact O-CB 3.24Å; F176-F180 WeakPolarHBondContact O-CD2 3.34Å; F176-F180 PolarHBondContact O-N 2.83Å
177N75.8Confident61.1Low99 Ų9971.9 Ų71.953%0.52942%0.415SS..Hα-helixtrans-66-36.5178.3-71-25.6000112.3E173 E174 F179 G181E173-N177 WeakPolarHBondContact O-CB 3.4Å; E173-N177 PolarHBondContact O-N 3.28Å; E173-N177 PolarHBondContact O-ND2 3.06Å; E174-N177 PolarHBondContact O-N 2.96Å; N177-F179 VanDerWaalsContact C-N 3.29Å; N177-F179 PolarHBondContact O-N 3.49Å; N177-G181 WeakPolarHBondContact O-CA 3.43Å; N177-G181 PolarHBondContact O-N 2.87Å
178V73.6Confident60.8Low48 Ų4873.3 Ų73.329%0.29143%0.426SS..Hα-helixtrans-61.2-43.5170.4168.40000109.5E174 F176 F184 M191E174-V178 WeakPolarHBondContact O-CB 3.07Å; E174-V178 VanDerWaalsContact O-CG2 3.24Å; E174-V178 WeakPolarHBondContact O-CG2 3.43Å; E174-V178 PolarHBondContact O-N 3.37Å; F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 3.19Å; V178-F184 HydrophobicContact CG1-CE2 4.24Å; V178-F184 WeakPolarHBondContact O-CD2 3.32Å; V178-F184 WeakPolarHBondContact O-CE2 3.07Å; V178-M191 HydrophobicContact CG1-CE 3.11Å; V178-M191 HydrophobicContact CG1-SD 3.65Å
179F69.1Low60.4Low32 Ų3276.4 Ų76.414%0.1444%0.44CS..Hα-helixtrans-70-40.5-179.8-154-72.1000115.4Y102 R103 L175 F176 N177 F184Y102-F179 HydrophobicContact CD1-CD2 4.3Å; Y102-F179 HydrophobicContact CE1-CB 4.39Å; Y102-F179 HydrophobicContact CE1-CD2 4.37Å; Y102-F179 HydrophobicContact CE1-CG 4.37Å; R103-F179 HydrophobicContact CB-CE1 4.47Å; R103-F179 HydrophobicContact CG-CD1 3.72Å; R103-F179 HydrophobicContact CG-CE1 3Å; R103-F179 HydrophobicContact CG-CE2 4Å; R103-F179 HydrophobicContact CG-CZ 3.16Å; L175-F179 WeakPolarHBondContact O-CB 3.5Å; L175-F179 PolarHBondContact O-N 3.11Å; F176-F179 CarbonylContact O-C 3.51Å; F176-F179 WeakPolarHBondContact O-CA 3.5Å; F176-F179 PolarHBondContact O-N 3.14Å; N177-F179 VanDerWaalsContact C-N 3.29Å; N177-F179 PolarHBondContact O-N 3.49Å; F179-F184 VanDerWaalsContact CA-CE2 3.49Å; F179-F184 HydrophobicContact CB-CE2 4.42Å; F179-F184 HydrophobicContact CD2-CE2 4.23Å; F179-F184 HydrophobicContact CD2-CZ 4.08Å; F179-F184 HydrophobicContact CE2-CZ 4.18Å; F179-F184 HydrophobicContact CG-CE2 4.4Å
180F72.9Confident59.9Low75 Ų7575.2 Ų75.233%0.32943%0.429SS..Hα-helixtrans-122.4-9.2-167.8-64.9-82.3000114R103 A106 L107 F176 G182R103-F180 HydrophobicContact CB-CZ 4.21Å; R103-F180 HydrophobicContact CG-CE1 4.47Å; R103-F180 HydrophobicContact CG-CZ 3.9Å; A106-F180 HydrophobicContact CB-CE2 4.36Å; L107-F180 HydrophobicContact CD1-CE1 4.01Å; L107-F180 HydrophobicContact CD1-CZ 4.19Å; L107-F180 HydrophobicContact CD2-CD1 4.47Å; L107-F180 HydrophobicContact CD2-CE1 4.02Å; L107-F180 HydrophobicContact CD2-CZ 4.21Å; L107-F180 HydrophobicContact CG-CE1 4.03Å; L107-F180 HydrophobicContact CG-CZ 3.9Å; F176-F180 HydrophobicContact CD1-CB 4.34Å; F176-F180 HydrophobicContact CD1-CD2 4.16Å; F176-F180 AromaticContact CD2-CD2 3.31Å; F176-F180 HydrophobicContact CD2-CD2 3.31Å; F176-F180 AromaticContact CD2-CE2 3.55Å; F176-F180 HydrophobicContact CD2-CE2 3.55Å; F176-F180 HydrophobicContact CD2-CG 4.35Å; F176-F180 HydrophobicContact CE1-CB 3.91Å; F176-F180 HydrophobicContact CE1-CD2 4.04Å; F176-F180 HydrophobicContact CE1-CG 4.21Å; F176-F180 HydrophobicContact CE2-CB 4.48Å; F176-F180 AromaticContact CE2-CD2 3.18Å; F176-F180 HydrophobicContact CE2-CD2 3.18Å; F176-F180 AromaticContact CE2-CE2 3.37Å; F176-F180 HydrophobicContact CE2-CE2 3.37Å; F176-F180 AromaticContact CE2-CG 3.9Å; F176-F180 HydrophobicContact CE2-CG 3.9Å; F176-F180 HydrophobicContact CE2-CZ 4.21Å; F176-F180 AromaticContact CG-CD2 3.82Å; F176-F180 HydrophobicContact CG-CD2 3.82Å; F176-F180 HydrophobicContact CG-CE2 4.45Å; F176-F180 HydrophobicContact CZ-CB 3.99Å; F176-F180 AromaticContact CZ-CD2 3.56Å; F176-F180 HydrophobicContact CZ-CD2 3.56Å; F176-F180 HydrophobicContact CZ-CE2 4.15Å; F176-F180 AromaticContact CZ-CG 3.82Å; F176-F180 HydrophobicContact CZ-CG 3.82Å; F176-F180 WeakPolarHBondContact O-CB 3.24Å; F176-F180 WeakPolarHBondContact O-CD2 3.34Å; F176-F180 PolarHBondContact O-N 2.83Å; F180-G182 VanDerWaalsContact C-N 3.33Å; F180-G182 PolarHBondContact O-N 3.06Å
181G63.3Low59.4Low43 Ų4376.3 Ų76.344%0.44343%0.434SS..SBendtrans-89.624.1-176.900000115.3N177 H183N177-G181 WeakPolarHBondContact O-CA 3.43Å; N177-G181 PolarHBondContact O-N 2.87Å; G181-H183 PolarHBondContact O-N 3Å; G181-H183 PolarHBondContact O-ND1 3.47Å
182G50.4Low58.6Low76 Ų7674.3 Ų74.378%0.78442%0.419SS*.SBendtrans76.78.8166.600000117.1F180F180-G182 VanDerWaalsContact C-N 3.33Å; F180-G182 PolarHBondContact O-N 3.06Å
183H46.6Very low57.3Low164 Ų16477.1 Ų77.176%0.75944%0.439SS*.  trans-110.643179.1-75.373.8000112.7G181 P185G181-H183 PolarHBondContact O-N 3Å; G181-H183 PolarHBondContact O-ND1 3.47Å; H183-P185 VanDerWaalsContact O-CD 3.32Å; H183-P185 WeakPolarHBondContact O-CD 3.04Å
184F47.8Very low56Low91 Ų9178.5 Ų78.540%0.39945%0.449SS..  trans-85.9116.2172.2-112-99.4000110.3V178 F179 T186 M191V178-F184 HydrophobicContact CG1-CE2 4.24Å; V178-F184 WeakPolarHBondContact O-CD2 3.32Å; V178-F184 WeakPolarHBondContact O-CE2 3.07Å; F179-F184 VanDerWaalsContact CA-CE2 3.49Å; F179-F184 HydrophobicContact CB-CE2 4.42Å; F179-F184 HydrophobicContact CD2-CE2 4.23Å; F179-F184 HydrophobicContact CD2-CZ 4.08Å; F179-F184 HydrophobicContact CE2-CZ 4.18Å; F179-F184 HydrophobicContact CG-CE2 4.4Å; F184-T186 PolarHBondContact O-N 2.81Å; F184-M191 HydrophobicContact CE1-CE 4.21Å; F184-M191 HydrophobicContact CE2-CE 3.82Å; F184-M191 HydrophobicContact CZ-CE 3.66Å; F184-M191 HydrophobicContact CZ-SD 4.04Å
185P47Very low54.6Low71 Ų7179.7 Ų79.746%0.46146%0.463SS..  trans-65.8123.3158.2-4.622.6000106.3H183 G187 I189H183-P185 VanDerWaalsContact O-CD 3.32Å; H183-P185 WeakPolarHBondContact O-CD 3.04Å; P185-G187 PolarHBondContact O-N 2.76Å; P185-I189 HydrophobicContact CB-CD1 3.63Å; P185-I189 HydrophobicContact CG-CD1 3.6Å
186T45.4Very low52.7Low151 Ų15185.1 Ų85.193%0.92650%0.496SS*.SBendtrans-65.684.4174.652.50000109.3F184F184-T186 PolarHBondContact O-N 2.81Å
187G48.7Very low50.9Low47 Ų4791.9 Ų91.949%0.48553%0.534SS..SBendtrans-173.6153.1178.500000111.4P185 I189P185-G187 PolarHBondContact O-N 2.76Å; G187-I189 PolarHBondContact O-N 3.22Å
188N43.5Very low49Very low139 Ų13993.6 Ų93.674%0.74354%0.543SS*.  trans-68.780.3170.3-79.8-20.7000109.3
189I44.5Very low47Very low85 Ų8595.7 Ų95.744%0.43657%0.565SS.*  trans-93121.6172.2-69.5167.1000107.6P185 G187 M191P185-I189 HydrophobicContact CB-CD1 3.63Å; P185-I189 HydrophobicContact CG-CD1 3.6Å; G187-I189 PolarHBondContact O-N 3.22Å; I189-M191 VanDerWaalsContact C-N 3.25Å; I189-M191 HydrophobicContact CG2-CG 4.32Å; I189-M191 PolarHBondContact O-N 3.45Å
190H45.3Very low45.5Very low114 Ų114101.1 Ų101.153%0.52859%0.591SS.*  trans-67.688.5164.3-64.9-79.2000107.6F192 S193H190-F192 PolarHBondContact O-N 2.75Å; H190-S193 PolarHBondContact O-N 3.37Å
191M51.7Low43.9Very low70 Ų70106.1 Ų106.135%0.34561%0.609SS.*THydrogen-bonded Turntrans-59.2-4.6-178.1-90.1178.8165.800114.7V178 F184 I189V178-M191 HydrophobicContact CG1-CE 3.11Å; V178-M191 HydrophobicContact CG1-SD 3.65Å; F184-M191 HydrophobicContact CE1-CE 4.21Å; F184-M191 HydrophobicContact CE2-CE 3.82Å; F184-M191 HydrophobicContact CZ-CE 3.66Å; F184-M191 HydrophobicContact CZ-SD 4.04Å; I189-M191 VanDerWaalsContact C-N 3.25Å; I189-M191 HydrophobicContact CG2-CG 4.32Å; I189-M191 PolarHBondContact O-N 3.45Å
192F52.5Low42.7Very low31 Ų31115.6 Ų115.614%0.13663%0.633CS.*THydrogen-bonded Turntrans-132.12.2-171.1-58.6-81.8000114.5F130 A131 S134 N135 I170 L175 H190 N194F130-F192 HydrophobicContact CE1-CE2 4.16Å; F130-F192 HydrophobicContact CE1-CZ 4.44Å; A131-F192 HydrophobicContact CB-CE1 4.39Å; S134-F192 WeakPolarHBondContact OG-CD2 2.97Å; S134-F192 WeakPolarHBondContact OG-CE2 3.11Å; N135-F192 HydrophobicContact CB-CB 3.56Å; N135-F192 HydrophobicContact CB-CG 4.37Å; N135-F192 PolarHBondContact ND2-O 3.24Å; I170-F192 HydrophobicContact CD1-CE1 3.97Å; L175-F192 HydrophobicContact CD1-CZ 3.79Å; H190-F192 PolarHBondContact O-N 2.75Å; F192-N194 PolarHBondContact O-N 3.31Å
193S40.6Very low41.9Very low72 Ų72122.9 Ų122.950%0.50364%0.637SS.*SBendtrans-7499.8176.865.60000109.7H190H190-S193 PolarHBondContact O-N 3.37Å
194N42.2Very low41.4Very low105 Ų105125.8 Ų125.856%0.56164%0.641SS**  trans47.484.3156.6-55.8-25.3000114D137 F192 T196D137-N194 PolarHBondContact OD2-ND2 3.3Å; D137-N194 VanDerWaalsContact OD2-ND2 3.12Å; F192-N194 PolarHBondContact O-N 3.31Å; N194-T196 VanDerWaalsContact C-N 3.27Å; N194-T196 PolarHBondContact O-N 3.31Å
195V38.5Very low40.7Very low128 Ų128132 Ų13278%0.77666%0.662SS**  trans-60.696.9160.81780000107.1D197V195-D197 PolarHBondContact O-N 3.23Å
196T32.3Very low40.1Very low120 Ų120136.5 Ų136.574%0.73668%0.676SS**  trans-63100.6161.747.70000107.7N194 D198N194-T196 VanDerWaalsContact C-N 3.27Å; N194-T196 PolarHBondContact O-N 3.31Å; T196-D198 PolarHBondContact O-N 3.37Å
197D36.9Very low39.5Very low169 Ų169140.2 Ų140.290%0.90467%0.673SS**SBendtrans43.411.8141.4-111.2-10.2000122.1V195V195-D197 PolarHBondContact O-N 3.23Å
198D36.1Very low38.8Very low135 Ų135146.5 Ų146.572%0.72269%0.69SS**  trans-141.650-174.1-143.67.5000114.5T196T196-D198 PolarHBondContact O-N 3.37Å
199A30.8Very low38.7Very low91 Ų91148.2 Ų148.275%0.75269%0.693SS**  trans-123.585.616900000110.9
200H37.8Very low38.3Very low146 Ų146155 Ų15568%0.67671%0.714SS**  trans-65.5127.4174-93.5-62.6000113.4
201Y40.7Very low38Very low180 Ų180155.9 Ų155.971%0.70673%0.727SS**  trans64.6101.8149.9-65.8-75.4000121.3
202Y37.4Very low37.2Very low242 Ų242160.2 Ų160.295%0.94975%0.746SS**  -14887.1120-79.8-69.5000111.1R204Y202-R204 PolarHBondContact O-N 3.46Å
203R34.5Very low36.6Very low230 Ų230165.4 Ų165.487%0.86878%0.781SS**  trans-80.892.9171.6-171.8-178.9-104.2170.7-4.8109.4R205R203-R205 PolarHBondContact O-N 2.74Å
204R34.7Very low36.3Very low225 Ų225169.6 Ų169.685%0.84979%0.792SS**  trans-72.2112.8171.3-167.7177.6-96.8171.2-6109.4Y202 H206Y202-R204 PolarHBondContact O-N 3.46Å; R204-H206 PolarHBondContact O-N 3.23Å
205R33.3Very low36.2Very low221 Ų221174.8 Ų174.883%0.83481%0.81SS**  trans-82.1105-176.7-144.3-178.7-165.5173.73.5109.2R203R203-R205 PolarHBondContact O-N 2.74Å
206H34.3Very low36Very low166 Ų166177 Ų17777%0.76981%0.812SS**  trans-10998.7158.1-87-69.9000108.5R204 H208R204-H206 PolarHBondContact O-N 3.23Å; H206-H208 PolarHBondContact O-N 3.31Å
207R32.4Very low36.2Very low229 Ų229180.6 Ų180.686%0.86482%0.82SS**  trans-86.999.6171-171.9177.2-158.8173.44.5107.3E209R207-E209 PolarHBondContact O-N 3.25Å
208H35.8Very low36.3Very low178 Ų178181.7 Ų181.782%0.82482%0.82SS**  trans-71.5115.5160.2-100-70.5000108.5H206 R210H206-H208 PolarHBondContact O-N 3.31Å; H208-R210 PolarHBondContact O-N 2.85Å
209E39.4Very low36.4Very low176 Ų176184.1 Ų184.182%0.82283%0.827SS**  trans-54.3116.7162.3-166173.4176.100109.2R207R207-E209 PolarHBondContact O-N 3.25Å
210R36.1Very low37Very low228 Ų228188.9 Ų188.986%0.8683%0.833SS**  trans-136.2102.6164.3-118.7-176.3-170.4-168.43.1108.7H208 Q212H208-R210 PolarHBondContact O-N 2.85Å; R210-Q212 PolarHBondContact O-N 3.3Å
211T39.6Very low37.3Very low131 Ų131190.7 Ų190.780%0.80484%0.84SS**  trans-48.3116.2160.9-19.10000108.8
212Q34.8Very low37.5Very low161 Ų161187.2 Ų187.275%0.75284%0.839SS**  trans-127.7107.6161.8-96.1-177-4.500108.2R210 Q214R210-Q212 PolarHBondContact O-N 3.3Å; Q212-Q214 PolarHBondContact O-N 3.25Å
213T40.5Very low38.2Very low141 Ų141184.8 Ų184.887%0.86584%0.836SS**  trans-52.5107.8157.534.20000110
214Q33.7Very low39.4Very low159 Ų159177.6 Ų177.674%0.74382%0.818SS**  trans-131.9119.8153.1-90.5-179.6-16.700108.2Q212 E216Q212-Q214 PolarHBondContact O-N 3.25Å; Q214-E216 PolarHBondContact O-N 2.94Å
215K40.7Very low40.6Very low215 Ų215171.7 Ų171.794%0.93581%0.807SS**  trans-62.6110.8164.4-74.1173.7171.6-179.20107.2
216E33.8Very low42.1Very low174 Ų174168.9 Ų168.981%0.81380%0.798SS**  trans-134.1143.1156.8-75.5-175.5169.400107.2Q214Q214-E216 PolarHBondContact O-N 2.94Å
217E36.5Very low43.8Very low195 Ų195164 Ų16491%0.91178%0.782SS**  trans-63146.4-157.3-67156.8150.300113.4E219E217-E219 PolarHBondContact O-N 2.98Å; E217-E219 VanDerWaalsContact O-N 3.08Å
218E40.2Very low45.5Very low192 Ų192155.5 Ų155.590%0.89776%0.761SS**  trans-56.5105.8165.9-91.2169.814300110.3
219E37.1Very low47.1Very low187 Ų187153.5 Ų153.587%0.87475%0.75SS**  trans-122.397.5147.3-100.6-166.8164.200108.4E217 K221E217-E219 PolarHBondContact O-N 2.98Å; E217-E219 VanDerWaalsContact O-N 3.08Å; E219-K221 PolarHBondContact O-N 3.23Å
220E43.4Very low49.1Very low190 Ų190150.8 Ų150.889%0.88874%0.74SS**  trans-58.4101.7167.4-77.5-169.313500110
221K43.5Very low51Low185 Ų185147.1 Ų147.180%0.80473%0.733SS**  trans-100.5122.1155.8-108.1176.3-179.7168.30108.6E219 Q223E219-K221 PolarHBondContact O-N 3.23Å; K221-Q223 PolarHBondContact O-N 3.01Å
222P46.5Very low53.1Low107 Ų107146 Ų14670%0.69572%0.721SS**  trans-60.6131.1-177.824.2-31.7000109T224P222-T224 PolarHBondContact O-N 2.9Å
223Q52.1Low55.6Low190 Ų190143 Ų14389%0.88871%0.71SS**  trans-65.385.8173.3-63.7-172.92.200108.3K221 T225K221-Q223 PolarHBondContact O-N 3.01Å; Q223-T225 PolarHBondContact O-N 3.38Å
224T59.5Low57.9Low80 Ų80140 Ų14049%0.49169%0.693SS.*  trans-65.5129173.757.60000108P222 Y226 S227P222-T224 PolarHBondContact O-N 2.9Å; T224-Y226 PolarHBondContact O-N 3.28Å; T224-S227 PolarHBondContact O-N 3.31Å; T224-S227 PolarHBondContact O-OG 2.88Å
225T60.4Low60.5Low101 Ų101136.7 Ų136.762%0.6268%0.683SS**THydrogen-bonded Turntrans-44.8-20.8175.948.90000114.3Q223 S227 A228 F229Q223-T225 PolarHBondContact O-N 3.38Å; T225-S227 VanDerWaalsContact C-N 3.33Å; T225-S227 PolarHBondContact O-N 3.19Å; T225-A228 PolarHBondContact O-N 2.81Å; T225-F229 WeakPolarHBondContact O-CD2 3.34Å
226Y64.6Low62.9Low161 Ų161131.1 Ų131.163%0.63166%0.663SS**Hα-helixtrans-58.8-27.8173.1-61.3-68000115.6T224 A228 F229 I230T224-Y226 PolarHBondContact O-N 3.28Å; Y226-A228 VanDerWaalsContact C-N 3.34Å; Y226-A228 PolarHBondContact O-N 3.29Å; Y226-F229 PolarHBondContact O-N 3.35Å; Y226-I230 WeakPolarHBondContact O-CG1 3.2Å; Y226-I230 PolarHBondContact O-N 3.46Å
227S68.5Low65.7Low63 Ų63125.8 Ų125.844%0.44164%0.642SS.*Hα-helixtrans-68.9-31.4179.765.70000113.1T224 T225 Q231T224-S227 PolarHBondContact O-N 3.31Å; T224-S227 PolarHBondContact O-OG 2.88Å; T225-S227 VanDerWaalsContact C-N 3.33Å; T225-S227 PolarHBondContact O-N 3.19Å; S227-Q231 WeakPolarHBondContact O-CG 3.41Å; S227-Q231 PolarHBondContact O-N 3.48Å
228A68.6Low68.3Low51 Ų51122 Ų12242%0.42163%0.627SS.*Hα-helixtrans-70.2-36.4174.700000112T225 Y226 Q231 L232T225-A228 PolarHBondContact O-N 2.81Å; Y226-A228 VanDerWaalsContact C-N 3.34Å; Y226-A228 PolarHBondContact O-N 3.29Å; A228-Q231 PolarHBondContact O-N 2.9Å; A228-L232 PolarHBondContact O-N 2.04Å
229F70.9Confident70.7Confident136 Ų136116.9 Ų116.960%0.59661%0.609SS**Hα-helixtrans-67.7-38.5176.6-68.2-74.1000112.3T225 Y226 Q231 L232 L233T225-F229 WeakPolarHBondContact O-CD2 3.34Å; Y226-F229 PolarHBondContact O-N 3.35Å; F229-Q231 VanDerWaalsContact C-N 3.3Å; F229-Q231 PolarHBondContact O-N 3.15Å; F229-L232 PolarHBondContact O-N 3.39Å; F229-L233 PolarHBondContact O-N 2.93Å; F229-L233 VanDerWaalsContact O-N 3.15Å
230I80.6Confident73.4Confident119 Ų119111.8 Ų111.861%0.6159%0.587SS**Hα-helixtrans-66.3-33.6177.4-64.8167.7000111.2Y226 P234Y226-I230 WeakPolarHBondContact O-CG1 3.2Å; Y226-I230 PolarHBondContact O-N 3.46Å; I230-P234 WeakPolarHBondContact O-CD 3.32Å
231Q76.4Confident75.7Confident152 Ų152107.1 Ų107.171%0.7157%0.567SS**Hα-helixtrans-70.5-27.9176.3-73.2178.73.300113.6S227 A228 F229S227-Q231 WeakPolarHBondContact O-CG 3.41Å; S227-Q231 PolarHBondContact O-N 3.48Å; A228-Q231 PolarHBondContact O-N 2.9Å; F229-Q231 VanDerWaalsContact C-N 3.3Å; F229-Q231 PolarHBondContact O-N 3.15Å
232L82.8Confident77.9Confident107 Ų107100.9 Ų100.956%0.5655%0.546SS*.Hα-helixtrans-87.6-17.7178.4-68174.3000113.2A228 F229 V235 L236A228-L232 PolarHBondContact O-N 2.04Å; F229-L232 PolarHBondContact O-N 3.39Å; L232-V235 PolarHBondContact O-N 2.92Å; L232-L236 WeakPolarHBondContact O-CB 3.33Å; L232-L236 PolarHBondContact O-N 3.36Å
233L88.5Confident80Confident99 Ų9999.1 Ų99.152%0.51853%0.534SS..Hα-helixtrans-55.1-44.9-177.6-162.5157.5000113.3F229 V235 L236 V237F229-L233 PolarHBondContact O-N 2.93Å; F229-L233 VanDerWaalsContact O-N 3.15Å; L233-V235 PolarHBondContact O-N 2.85Å; L233-L236 PolarHBondContact O-N 3.49Å; L233-V237 HydrophobicContact CD2-CG2 3.73Å; L233-V237 WeakPolarHBondContact O-CB 3.36Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.03Å; L233-V237 PolarHBondContact O-N 3.29Å
234P88.6Confident81.7Confident77 Ų7794 Ų9450%0.551%0.511SS..Hα-helixtrans-64.1-38.4178.8-21.233.3000113.3I230 I238I230-P234 WeakPolarHBondContact O-CD 3.32Å; P234-I238 WeakPolarHBondContact O-CG1 3.34Å; P234-I238 PolarHBondContact O-N 3.4Å; P234-I238 VanDerWaalsContact O-N 3.14Å
235V88.4Confident83Confident89 Ų8994 Ų9454%0.53951%0.512SS..Hα-helixtrans-68.5-43.9177.3179.30000110L232 L233 V237 I238 V239L232-V235 PolarHBondContact O-N 2.92Å; L233-V235 PolarHBondContact O-N 2.85Å; V235-V237 VanDerWaalsContact C-N 3.33Å; V235-V237 PolarHBondContact O-N 3.46Å; V235-I238 PolarHBondContact O-N 2.88Å; V235-V239 WeakPolarHBondContact O-CG2 3.4Å; V235-V239 PolarHBondContact O-N 3.06Å
236L90.1Very high84Confident98 Ų9895.5 Ų95.551%0.51351%0.512SS..Hα-helixtrans-63.4-39.6178.7-167.9152.8000111L232 L233 V239 I240L232-L236 WeakPolarHBondContact O-CB 3.33Å; L232-L236 PolarHBondContact O-N 3.36Å; L233-L236 PolarHBondContact O-N 3.49Å; L236-V239 PolarHBondContact O-N 3.32Å; L236-I240 HydrophobicContact CD2-CD1 3.3Å; L236-I240 HydrophobicContact CD2-CG1 3.98Å; L236-I240 HydrophobicContact CG-CD1 4.45Å; L236-I240 WeakPolarHBondContact O-CB 3.44Å; L236-I240 VanDerWaalsContact O-CG1 3.26Å; L236-I240 WeakPolarHBondContact O-CG1 3.24Å; L236-I240 PolarHBondContact O-N 3.47Å
237V93.3Very high84.7Confident62 Ų6294.6 Ų94.638%0.37652%0.517SS..Hα-helixtrans-62.7-44174.3168.10000111.7L233 V235 V239 I240 I241L233-V237 HydrophobicContact CD2-CG2 3.73Å; L233-V237 WeakPolarHBondContact O-CB 3.36Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.03Å; L233-V237 PolarHBondContact O-N 3.29Å; V235-V237 VanDerWaalsContact C-N 3.33Å; V235-V237 PolarHBondContact O-N 3.46Å; V237-V239 VanDerWaalsContact C-N 3.35Å; V237-V239 PolarHBondContact O-N 3.33Å; V237-I240 PolarHBondContact O-N 3.4Å; V237-I241 HydrophobicContact CG1-CD1 3.62Å; V237-I241 HydrophobicContact CG1-CG1 4.29Å; V237-I241 WeakPolarHBondContact O-CB 3.32Å; V237-I241 VanDerWaalsContact O-CG1 3.22Å; V237-I241 WeakPolarHBondContact O-CG1 3.16Å; V237-I241 PolarHBondContact O-N 3.33Å
238I90.3Very high85.1Confident116 Ų11697.8 Ų97.860%0.59553%0.528SS*.Hα-helixtrans-63.8-42.3177.3-67.1165000111.1P234 V235 I241 S242P234-I238 WeakPolarHBondContact O-CG1 3.34Å; P234-I238 PolarHBondContact O-N 3.4Å; P234-I238 VanDerWaalsContact O-N 3.14Å; V235-I238 PolarHBondContact O-N 2.88Å; I238-I241 PolarHBondContact O-N 3.27Å; I238-S242 WeakPolarHBondContact O-CB 3.4Å; I238-S242 PolarHBondContact O-N 3.49Å
239V91.6Very high85.3Confident84 Ų8498.6 Ų98.651%0.50954%0.535SS..Hα-helixtrans-63.4-44.9176.4172.70000110.5V235 L236 V237 S242 V243V235-V239 WeakPolarHBondContact O-CG2 3.4Å; V235-V239 PolarHBondContact O-N 3.06Å; L236-V239 PolarHBondContact O-N 3.32Å; V237-V239 VanDerWaalsContact C-N 3.35Å; V237-V239 PolarHBondContact O-N 3.33Å; V239-S242 PolarHBondContact O-N 2.94Å; V239-V243 VanDerWaalsContact O-CG2 3.3Å; V239-V243 WeakPolarHBondContact O-CG2 3.34Å; V239-V243 PolarHBondContact O-N 3.46Å
240I92.8Very high85.4Confident81 Ų8198.3 Ų98.342%0.41554%0.544SS..Hα-helixtrans-61.4-46.5176.1-74.8-176.9000110.9L236 V237 S242 V243 I244L236-I240 HydrophobicContact CD2-CD1 3.3Å; L236-I240 HydrophobicContact CD2-CG1 3.98Å; L236-I240 HydrophobicContact CG-CD1 4.45Å; L236-I240 WeakPolarHBondContact O-CB 3.44Å; L236-I240 VanDerWaalsContact O-CG1 3.26Å; L236-I240 WeakPolarHBondContact O-CG1 3.24Å; L236-I240 PolarHBondContact O-N 3.47Å; V237-I240 PolarHBondContact O-N 3.4Å; I240-S242 VanDerWaalsContact C-N 3.33Å; I240-S242 PolarHBondContact O-N 3.43Å; I240-V243 PolarHBondContact O-N 3.2Å; I240-I244 HydrophobicContact CG2-CD1 3.41Å; I240-I244 VanDerWaalsContact CG2-CD1 3.41Å; I240-I244 HydrophobicContact CG2-CG1 4.09Å; I240-I244 WeakPolarHBondContact O-CB 3.29Å; I240-I244 VanDerWaalsContact O-CG1 3.22Å; I240-I244 WeakPolarHBondContact O-CG1 3.47Å; I240-I244 PolarHBondContact O-N 3.22Å
241I92.6Very high85.2Confident92 Ų9298 Ų9847%0.47254%0.544SS..Hα-helixtrans-60.1-46.2177.7-69.7166.5000109.8V237 I238 V243 I244 T245V237-I241 HydrophobicContact CG1-CD1 3.62Å; V237-I241 HydrophobicContact CG1-CG1 4.29Å; V237-I241 WeakPolarHBondContact O-CB 3.32Å; V237-I241 VanDerWaalsContact O-CG1 3.22Å; V237-I241 WeakPolarHBondContact O-CG1 3.16Å; V237-I241 PolarHBondContact O-N 3.33Å; I238-I241 PolarHBondContact O-N 3.27Å; I241-V243 PolarHBondContact O-N 3.32Å; I241-I244 PolarHBondContact O-N 3.22Å; I241-T245 HydrophobicContact CG2-CG2 4.19Å; I241-T245 WeakPolarHBondContact O-CB 3.44Å; I241-T245 VanDerWaalsContact O-CG2 3.24Å; I241-T245 WeakPolarHBondContact O-CG2 3.5Å; I241-T245 PolarHBondContact O-N 2.9Å; I241-T245 PolarHBondContact O-OG1 3.24Å; I241-T245 VanDerWaalsContact O-OG1 3.11Å
242S89Confident85.7Confident53 Ų5394.4 Ų94.437%0.37153%0.534SS..Hα-helixtrans-58.6-45.7177.4-175.90000111.9I238 V239 I240 T245 Q246I238-S242 WeakPolarHBondContact O-CB 3.4Å; I238-S242 PolarHBondContact O-N 3.49Å; V239-S242 PolarHBondContact O-N 2.94Å; I240-S242 VanDerWaalsContact C-N 3.33Å; I240-S242 PolarHBondContact O-N 3.43Å; S242-T245 WeakPolarHBondContact CA-OG1 3.49Å; S242-T245 PolarHBondContact O-N 2.94Å; S242-T245 PolarHBondContact O-OG1 3.31Å; S242-Q246 WeakPolarHBondContact O-CG 3.44Å; S242-Q246 PolarHBondContact O-N 3Å; S242-Q246 VanDerWaalsContact O-N 3.08Å; S242-Q246 PolarHBondContact OG-NE2 3.01Å
243V89.8Confident85.9Confident71 Ų7191.4 Ų91.443%0.4352%0.521SS..Hα-helixtrans-66.8-43.6177.5174.20000111.6V239 I240 I241 T245 Q246 L247V239-V243 VanDerWaalsContact O-CG2 3.3Å; V239-V243 WeakPolarHBondContact O-CG2 3.34Å; V239-V243 PolarHBondContact O-N 3.46Å; I240-V243 PolarHBondContact O-N 3.2Å; I241-V243 PolarHBondContact O-N 3.32Å; V243-T245 VanDerWaalsContact C-N 3.34Å; V243-T245 PolarHBondContact O-N 2.9Å; V243-Q246 PolarHBondContact O-N 2.88Å; V243-L247 HydrophobicContact CG1-CD1 3.98Å; V243-L247 HydrophobicContact CG1-CG 4.41Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 2.92Å
244I88.3Confident86.1Confident82 Ų8288 Ų8842%0.42150%0.501SS..Hα-helixtrans-62.5-42.1177.3-70.7173.8000110.5I240 I241 Q246 L247 L248I240-I244 HydrophobicContact CG2-CD1 3.41Å; I240-I244 VanDerWaalsContact CG2-CD1 3.41Å; I240-I244 HydrophobicContact CG2-CG1 4.09Å; I240-I244 WeakPolarHBondContact O-CB 3.29Å; I240-I244 VanDerWaalsContact O-CG1 3.22Å; I240-I244 WeakPolarHBondContact O-CG1 3.47Å; I240-I244 PolarHBondContact O-N 3.22Å; I241-I244 PolarHBondContact O-N 3.22Å; I244-Q246 VanDerWaalsContact C-N 3.3Å; I244-Q246 PolarHBondContact O-N 3.45Å; I244-L247 PolarHBondContact O-N 3.35Å; I244-L248 HydrophobicContact CG2-CD1 3.64Å; I244-L248 HydrophobicContact CG2-CG 4.23Å; I244-L248 WeakPolarHBondContact O-CB 3.48Å; I244-L248 WeakPolarHBondContact O-CG 3.39Å; I244-L248 PolarHBondContact O-N 3.34Å
245T86.4Confident86.3Confident81 Ų8184.9 Ų84.950%0.49748%0.481SS..Hα-helixtrans-63.3-35.8176.5570000112.3I241 S242 V243 A249I241-T245 HydrophobicContact CG2-CG2 4.19Å; I241-T245 WeakPolarHBondContact O-CB 3.44Å; I241-T245 VanDerWaalsContact O-CG2 3.24Å; I241-T245 WeakPolarHBondContact O-CG2 3.5Å; I241-T245 PolarHBondContact O-N 2.9Å; I241-T245 PolarHBondContact O-OG1 3.24Å; I241-T245 VanDerWaalsContact O-OG1 3.11Å; S242-T245 WeakPolarHBondContact CA-OG1 3.49Å; S242-T245 PolarHBondContact O-N 2.94Å; S242-T245 PolarHBondContact O-OG1 3.31Å; V243-T245 VanDerWaalsContact C-N 3.34Å; V243-T245 PolarHBondContact O-N 2.9Å; T245-A249 WeakPolarHBondContact O-CB 3.38Å; T245-A249 PolarHBondContact O-N 3.29Å
246Q81.4Confident86.5Confident132 Ų13282.1 Ų82.162%0.61746%0.463SS*.Hα-helixtrans-70.6-35.1174.2-69.8171.833.300112.5S242 V243 I244S242-Q246 WeakPolarHBondContact O-CG 3.44Å; S242-Q246 PolarHBondContact O-N 3Å; S242-Q246 VanDerWaalsContact O-N 3.08Å; S242-Q246 PolarHBondContact OG-NE2 3.01Å; V243-Q246 PolarHBondContact O-N 2.88Å; I244-Q246 VanDerWaalsContact C-N 3.3Å; I244-Q246 PolarHBondContact O-N 3.45Å
247L80.1Confident86.6Confident141 Ų14182.1 Ų82.174%0.73846%0.459SS*.Hα-helixtrans-73.5-30176.5-69.7172.7000112.9V243 I244V243-L247 HydrophobicContact CG1-CD1 3.98Å; V243-L247 HydrophobicContact CG1-CG 4.41Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 2.92Å; I244-L247 PolarHBondContact O-N 3.35Å
248L76.9Confident86.6Confident131 Ų13185.8 Ų85.869%0.68647%0.467SS*.Hα-helixtrans-89.2-6.9176.1-67.8174.4000113.4I244 T250I244-L248 HydrophobicContact CG2-CD1 3.64Å; I244-L248 HydrophobicContact CG2-CG 4.23Å; I244-L248 WeakPolarHBondContact O-CB 3.48Å; I244-L248 WeakPolarHBondContact O-CG 3.39Å; I244-L248 PolarHBondContact O-N 3.34Å; L248-T250 PolarHBondContact O-N 3.35Å
249A72.5Confident86.5Confident67 Ų6784.8 Ų84.855%0.55446%0.459SS*.  trans-65.197.9176.900000109.8T245T245-A249 WeakPolarHBondContact O-CB 3.38Å; T245-A249 PolarHBondContact O-N 3.29Å
250T72.4Confident86.2Confident130 Ų13084.2 Ų84.280%0.79846%0.458SS*.PPolyproline II helixtrans-70.2129.9170.753.70000108.8L248L248-T250 PolarHBondContact O-N 3.35Å
251N76.9Confident85.8Confident113 Ų11386.4 Ų86.460%0.60448%0.476SS*.PPolyproline II helixtrans-56.5142.4173.1-67-53.2000110
252P86.2Confident85.4Confident76 Ų7685.5 Ų85.549%0.49447%0.471SS..PPolyproline II helixtrans-60.4156.3178.824-32.4000111.6Y254 Y264P252-Y254 VanDerWaalsContact C-N 3.25Å; P252-Y254 PolarHBondContact O-N 3.08Å; P252-Y264 WeakPolarHBondContact O-CE1 3.25Å; P252-Y264 VanDerWaalsContact O-CZ 3.29Å; P252-Y264 PolarHBondContact O-OH 2.97Å
253P87.9Confident85.2Confident45 Ų4584.5 Ų84.529%0.29247%0.47SS..SBendtrans-73-15-177.624.2-29.8000114.3Y287 L295P253-Y287 HydrophobicContact CB-CE2 3.75Å; P253-Y287 WeakPolarHBondContact CB-OH 3.24Å; P253-L295 HydrophobicContact CG-CD1 4.17Å
254Y92.4Very high85.2Confident28 Ų2881.5 Ų81.511%0.1145%0.451CS..EExtended strand (participates in β ladder)trans-147.4170.3-179.664.4-90.2000112P252 F278 L295 I299 D302P252-Y254 VanDerWaalsContact C-N 3.25Å; P252-Y254 PolarHBondContact O-N 3.08Å; Y254-F278 CarbonylContact C-O 3.59Å; Y254-F278 WeakPolarHBondContact CA-O 3.45Å; Y254-L295 HydrophobicContact CD1-CD1 3.82Å; Y254-L295 HydrophobicContact CD1-CG 4.37Å; Y254-L295 HydrophobicContact CE1-CD1 3.66Å; Y254-L295 HydrophobicContact CE1-CG 4.5Å; Y254-I299 HydrophobicContact CD1-CD1 3.96Å; Y254-I299 HydrophobicContact CD1-CG1 3.74Å; Y254-I299 HydrophobicContact CD2-CD1 4.29Å; Y254-I299 HydrophobicContact CD2-CG1 3.74Å; Y254-I299 HydrophobicContact CE1-CD1 4.29Å; Y254-I299 HydrophobicContact CE1-CG1 3.6Å; Y254-I299 HydrophobicContact CE2-CB 4.38Å; Y254-I299 HydrophobicContact CE2-CG1 3.61Å; Y254-I299 HydrophobicContact CG-CD1 3.97Å; Y254-I299 HydrophobicContact CG-CG1 3.82Å; Y254-D302 PolarHBondContact OH-OD2 3.14Å
255S94Very high85.3Confident11 Ų1180.4 Ų80.48%0.07745%0.448CS..EExtended strand (participates in β ladder)trans-139.6138.4168.21740000109.9F257 F278S255-F257 WeakPolarHBondContact CB-O 3.5Å; S255-F257 PolarHBondContact O-N 3.12Å; S255-F257 PolarHBondContact OG-N 3.04Å; S255-F257 PolarHBondContact OG-O 3.32Å; S255-F278 PolarHBondContact N-O 3.22Å; S255-F278 PolarHBondContact O-N 3.43Å
256L92.7Very high85.5Confident31 Ų3179.5 Ų79.516%0.16244%0.44CS..SBendtrans-69.5-15.1173.6-64.4176000112.8V275 I299 Y303L256-V275 HydrophobicContact CD2-CG1 4.31Å; L256-I299 HydrophobicContact CD2-CG2 3.92Å; L256-Y303 HydrophobicContact CD1-CD2 4.43Å; L256-Y303 HydrophobicContact CD2-CD2 4.36Å
257F91.6Very high86.1Confident98 Ų9876.6 Ų76.643%0.4343%0.434SS..SBendtrans-123.9150.7-179.4-51.1-77.6000110.9S255 K259 Y306S255-F257 WeakPolarHBondContact CB-O 3.5Å; S255-F257 PolarHBondContact O-N 3.12Å; S255-F257 PolarHBondContact OG-N 3.04Å; S255-F257 PolarHBondContact OG-O 3.32Å; F257-K259 PolarHBondContact O-N 2.98Å; F257-Y306 HydrophobicContact CE1-CE1 4.36Å; F257-Y306 HydrophobicContact CE2-CE2 4.27Å; F257-Y306 HydrophobicContact CZ-CD1 4.36Å; F257-Y306 HydrophobicContact CZ-CD2 4.22Å; F257-Y306 AromaticContact CZ-CE1 3.82Å; F257-Y306 HydrophobicContact CZ-CE1 3.82Å; F257-Y306 AromaticContact CZ-CE2 3.65Å; F257-Y306 HydrophobicContact CZ-CE2 3.65Å; F257-Y306 AromaticContact CZ-CZ 3.44Å; F257-Y306 VanDerWaalsContact CZ-CZ 3.44Å
258Y91.9Very high86.7Confident139 Ų13973.1 Ų73.155%0.54541%0.411SS..  trans-60.8123.8174.2178.7-101.1000110.6T265 F278Y258-T265 HydrophobicContact CE2-CG2 4.46Å; Y258-F278 AromaticContact CD2-CD1 3.9Å; Y258-F278 HydrophobicContact CD2-CD1 3.9Å; Y258-F278 AromaticContact CD2-CE1 3.86Å; Y258-F278 HydrophobicContact CD2-CE1 3.86Å; Y258-F278 HydrophobicContact CG-CE1 4.35Å; Y258-F278 VanDerWaalsContact N-CD2 3.29Å; Y258-F278 VanDerWaalsContact N-CE2 3.31Å
259K88.8Confident87.6Confident94 Ų9472.8 Ų72.841%0.40941%0.406SS..BIsolated β-bridgetrans-140.191.9178.5-68.1-176.1-177.5179.60109.9F257 T261 L262 Y264F257-K259 PolarHBondContact O-N 2.98Å; K259-T261 VanDerWaalsContact C-N 3.26Å; K259-T261 PolarHBondContact O-N 3.22Å; K259-L262 HydrophobicContact CB-CD1 4.48Å; K259-L262 HydrophobicContact CD-CD1 3.81Å; K259-L262 PolarHBondContact O-N 2.91Å; K259-Y264 HydrophobicContact CB-CD2 4.14Å; K259-Y264 PolarHBondContact O-N 2.85Å
260S84.8Confident88.6Confident72 Ų7269.7 Ų69.750%0.50338%0.38SS..G310 helixtrans-62.4-32.2179.257.50000113.3L262 G263S260-L262 PolarHBondContact O-N 3.43Å; S260-G263 PolarHBondContact O-N 2.87Å
261T85.3Confident89.4Confident128 Ų12869.9 Ų69.979%0.78537%0.372SS*.G310 helixtrans-64-26.8-179.453.10000113.5K259K259-T261 VanDerWaalsContact C-N 3.26Å; K259-T261 PolarHBondContact O-N 3.22Å
262L83.3Confident89.8Confident72 Ų7270.5 Ų70.538%0.37738%0.375SS..G310 helixtrans-101.72.9-180-62.2175.9000112.6K259 S260 Y264K259-L262 HydrophobicContact CB-CD1 4.48Å; K259-L262 HydrophobicContact CD-CD1 3.81Å; K259-L262 PolarHBondContact O-N 2.91Å; S260-L262 PolarHBondContact O-N 3.43Å; L262-Y264 VanDerWaalsContact C-N 3.31Å; L262-Y264 HydrophobicContact CB-CD2 3.6Å; L262-Y264 HydrophobicContact CB-CE2 3.43Å; L262-Y264 VanDerWaalsContact CB-CE2 3.43Å; L262-Y264 HydrophobicContact CB-CG 4.49Å; L262-Y264 HydrophobicContact CD1-CD2 4.22Å; L262-Y264 HydrophobicContact CD1-CE2 3.67Å; L262-Y264 HydrophobicContact CG-CE2 4.19Å; L262-Y264 PolarHBondContact O-N 3.35Å
263G84.7Confident89.9Confident33 Ų3369.3 Ų69.334%0.3437%0.365SS..THydrogen-bonded Turntrans78.86.8-17900000115.1S260 T265S260-G263 PolarHBondContact O-N 2.87Å; G263-T265 VanDerWaalsContact C-N 3.35Å; G263-T265 PolarHBondContact O-N 3.5Å
264Y90.4Very high90Very high7 Ų773.8 Ų73.83%0.02738%0.381CS..BIsolated β-bridgetrans-8081174.9-52.3-56.2000110.8P252 K259 L262 V279P252-Y264 WeakPolarHBondContact O-CE1 3.25Å; P252-Y264 VanDerWaalsContact O-CZ 3.29Å; P252-Y264 PolarHBondContact O-OH 2.97Å; K259-Y264 HydrophobicContact CB-CD2 4.14Å; K259-Y264 PolarHBondContact O-N 2.85Å; L262-Y264 VanDerWaalsContact C-N 3.31Å; L262-Y264 HydrophobicContact CB-CD2 3.6Å; L262-Y264 HydrophobicContact CB-CE2 3.43Å; L262-Y264 VanDerWaalsContact CB-CE2 3.43Å; L262-Y264 HydrophobicContact CB-CG 4.49Å; L262-Y264 HydrophobicContact CD1-CD2 4.22Å; L262-Y264 HydrophobicContact CD1-CE2 3.67Å; L262-Y264 HydrophobicContact CG-CE2 4.19Å; L262-Y264 PolarHBondContact O-N 3.35Å; Y264-V279 WeakPolarHBondContact CA-O 3.27Å
265T90.9Very high90Very high60 Ų6072.6 Ų72.637%0.36838%0.377SS..  trans-106.3-22.3-176.756.20000113.6Y258 G263 V279Y258-T265 HydrophobicContact CE2-CG2 4.46Å; G263-T265 VanDerWaalsContact C-N 3.35Å; G263-T265 PolarHBondContact O-N 3.5Å; T265-V279 PolarHBondContact N-O 2.84Å
266I91.5Very high90Very high62 Ų6274.8 Ų74.832%0.31839%0.391SS..EExtended strand (participates in β ladder)trans-90117.2-174.2-57.6-178.7000108.6R268 F278 V279 K281I266-R268 HydrophobicContact CG2-CG 4.33Å; I266-F278 CarbonylContact O-C 3.59Å; I266-F278 VanDerWaalsContact O-CA 3.29Å; I266-F278 WeakPolarHBondContact O-CA 3.36Å; I266-V279 HydrophobicContact CB-CG2 3.95Å; I266-V279 HydrophobicContact CG2-CG2 4.19Å; I266-V279 PolarHBondContact N-O 3.3Å; I266-V279 VanDerWaalsContact N-O 3.14Å; I266-V279 PolarHBondContact O-N 3.46Å; I266-K281 HydrophobicContact CD1-CB 4.46Å; I266-K281 HydrophobicContact CD1-CG 4.22Å
267S93.9Very high90.1Very high71 Ų7173.3 Ų73.350%0.49738%0.383SS..EExtended strand (participates in β ladder)trans-81.8134.2174.8-169.50000110.4
268R92.8Very high90.3Very high68 Ų6870.3 Ų70.326%0.25737%0.37SS..EExtended strand (participates in β ladder)trans-136.9164.6174.7-63.9-170.972.9138.82.2109.8I266 P276 Y277 V279 D284I266-R268 HydrophobicContact CG2-CG 4.33Å; R268-P276 CarbonylContact O-C 3.54Å; R268-P276 VanDerWaalsContact O-CA 3.31Å; R268-P276 WeakPolarHBondContact O-CA 3.35Å; R268-Y277 HydrophobicContact CB-CD1 4.21Å; R268-Y277 HydrophobicContact CB-CD2 4.37Å; R268-Y277 HydrophobicContact CB-CE1 3.71Å; R268-Y277 HydrophobicContact CB-CE2 3.88Å; R268-Y277 PolarHBondContact N-O 2.77Å; R268-Y277 WeakPolarHBondContact O-CD1 3.35Å; R268-Y277 PolarHBondContact O-N 2.93Å; R268-V279 HydrophobicContact CG-CG2 4.2Å; R268-D284 IonicContact CZ-OD1 3.76Å; R268-D284 IonicContact NH1-OD1 2.65Å; R268-D284 PolarHBondContact NH1-OD1 2.91Å
269E94.6Very high90.4Very high123 Ų12363.8 Ų63.858%0.57535%0.345SS*.EExtended strand (participates in β ladder)trans-125.9144.3177.2-67.3177.9-179.200110V275E269-V275 WeakPolarHBondContact CA-O 3.05Å
270T93.7Very high90.6Very high3 Ų362.1 Ų62.12%0.01834%0.34CS..  trans-74.5152.2177.267.30000111.2N272 Q274 V275 Y277 E296 I299 E300T270-N272 PolarHBondContact O-N 3.43Å; T270-Q274 VanDerWaalsContact O-CA 3.24Å; T270-Q274 WeakPolarHBondContact O-CA 3.37Å; T270-Q274 PolarHBondContact O-N 2.87Å; T270-Q274 PolarHBondContact OG1-N 3.43Å; T270-V275 HydrophobicContact CG2-CB 4.1Å; T270-V275 PolarHBondContact N-O 3.43Å; T270-V275 VanDerWaalsContact N-O 3.15Å; T270-V275 PolarHBondContact OG1-N 2.86Å; T270-Y277 HydrophobicContact CG2-CD1 3.85Å; T270-Y277 HydrophobicContact CG2-CE1 3.79Å; T270-E296 HydrophobicContact CG2-CB 4.17Å; T270-E296 HydrophobicContact CG2-CG 4.17Å; T270-I299 HydrophobicContact CG2-CB 4.28Å; T270-I299 HydrophobicContact CG2-CG2 3.86Å; T270-E300 WeakPolarHBondContact CB-OE1 3.49Å; T270-E300 HydrophobicContact CG2-CG 3.99Å; T270-E300 PolarHBondContact OG1-OE1 2.93Å
271Q88.8Confident90.8Very high133 Ų13366.4 Ų66.462%0.62135%0.35SS*.THydrogen-bonded Turntrans-66.9-34.3-174.8-71.2169.325.600114.3E296Q271-E296 VanDerWaalsContact CG-OE2 3.27Å; Q271-E296 WeakPolarHBondContact CG-OE2 3.47Å; Q271-E296 PolarHBondContact N-OE2 2.92Å; Q271-E296 VanDerWaalsContact N-OE2 3.15Å
272N86.1Confident90.9Very high126 Ų12664.9 Ų64.967%0.67434%0.337SS*.THydrogen-bonded Turntrans-97.6-53.7-168-177.638.5000111.8T270 E300T270-N272 PolarHBondContact O-N 3.43Å; N272-E300 WeakPolarHBondContact CB-OE1 3.28Å; N272-E300 PolarHBondContact N-OE1 3.39Å; N272-E300 PolarHBondContact ND2-OE2 3.04Å
273L87.3Confident91.3Very high52 Ų5261.5 Ų61.527%0.27232%0.319SS..THydrogen-bonded Turntrans-97.70.4-179.2-65.3179.3000114.4V275 E300 I304 L351L273-V275 HydrophobicContact CB-CG2 3.73Å; L273-V275 PolarHBondContact O-N 3.42Å; L273-E300 HydrophobicContact CB-CG 4.09Å; L273-E300 HydrophobicContact CD1-CB 3.99Å; L273-E300 HydrophobicContact CD1-CG 4.02Å; L273-E300 HydrophobicContact CG-CG 4.26Å; L273-E300 PolarHBondContact N-OE1 3.28Å; L273-I304 HydrophobicContact CD1-CD1 4.04Å; L273-I304 HydrophobicContact CD1-CG1 4.49Å; L273-L351 HydrophobicContact CD2-CD2 4.33Å
274Q91.2Very high91.5Very high138 Ų13863.5 Ų63.565%0.64532%0.322SS*.  trans51.339.5-178.2-63.3178.9-20.600112.4T270 P276T270-Q274 VanDerWaalsContact O-CA 3.24Å; T270-Q274 WeakPolarHBondContact O-CA 3.37Å; T270-Q274 PolarHBondContact O-N 2.87Å; T270-Q274 PolarHBondContact OG1-N 3.43Å; Q274-P276 WeakPolarHBondContact O-CD 3.42Å
275V92.9Very high91.4Very high3 Ų370.6 Ų70.62%0.01835%0.353CS..  trans-77.5124.1-178.7175.20000108.8L256 E269 T270 L273 Y277 I299 E300 Y303L256-V275 HydrophobicContact CD2-CG1 4.31Å; E269-V275 WeakPolarHBondContact CA-O 3.05Å; T270-V275 HydrophobicContact CG2-CB 4.1Å; T270-V275 PolarHBondContact N-O 3.43Å; T270-V275 VanDerWaalsContact N-O 3.15Å; T270-V275 PolarHBondContact OG1-N 2.86Å; L273-V275 HydrophobicContact CB-CG2 3.73Å; L273-V275 PolarHBondContact O-N 3.42Å; V275-Y277 WeakPolarHBondContact O-CD1 3.36Å; V275-Y277 PolarHBondContact O-N 3.37Å; V275-I299 HydrophobicContact CG1-CG2 4.48Å; V275-E300 HydrophobicContact CG2-CG 4.42Å; V275-Y303 HydrophobicContact CB-CD1 4.34Å; V275-Y303 HydrophobicContact CB-CG 4.31Å; V275-Y303 HydrophobicContact CG1-CD1 3.88Å; V275-Y303 HydrophobicContact CG1-CD2 3.5Å; V275-Y303 VanDerWaalsContact CG1-CD2 3.5Å; V275-Y303 HydrophobicContact CG1-CE1 4.35Å; V275-Y303 HydrophobicContact CG1-CE2 4.01Å; V275-Y303 HydrophobicContact CG1-CG 3.41Å; V275-Y303 VanDerWaalsContact CG1-CG 3.41Å; V275-Y303 HydrophobicContact CG2-CD1 3.46Å; V275-Y303 VanDerWaalsContact CG2-CD1 3.46Å; V275-Y303 HydrophobicContact CG2-CE1 3.88Å; V275-Y303 HydrophobicContact CG2-CG 3.86Å
276P93.9Very high91.2Very high57 Ų5771 Ų7137%0.3736%0.363SS..EExtended strand (participates in β ladder)trans-72.1129.6176.428.8-33.6000110.8R268 Q274R268-P276 CarbonylContact O-C 3.54Å; R268-P276 VanDerWaalsContact O-CA 3.31Å; R268-P276 WeakPolarHBondContact O-CA 3.35Å; Q274-P276 WeakPolarHBondContact O-CD 3.42Å
277Y94.7Very high91Very high0 Ų071.5 Ų71.50%036%0.361CS..EExtended strand (participates in β ladder)trans-138.6155.5175.568.4-83.2000111.2R268 T270 V275 V279 F283 E296 I299R268-Y277 HydrophobicContact CB-CD1 4.21Å; R268-Y277 HydrophobicContact CB-CD2 4.37Å; R268-Y277 HydrophobicContact CB-CE1 3.71Å; R268-Y277 HydrophobicContact CB-CE2 3.88Å; R268-Y277 PolarHBondContact N-O 2.77Å; R268-Y277 WeakPolarHBondContact O-CD1 3.35Å; R268-Y277 PolarHBondContact O-N 2.93Å; T270-Y277 HydrophobicContact CG2-CD1 3.85Å; T270-Y277 HydrophobicContact CG2-CE1 3.79Å; V275-Y277 WeakPolarHBondContact O-CD1 3.36Å; V275-Y277 PolarHBondContact O-N 3.37Å; Y277-V279 HydrophobicContact CD2-CG1 3.5Å; Y277-V279 HydrophobicContact CE2-CG1 3.42Å; Y277-V279 VanDerWaalsContact CE2-CG1 3.42Å; Y277-F283 HydrophobicContact CE2-CE1 4.41Å; Y277-F283 HydrophobicContact CE2-CZ 4.05Å; Y277-E296 PolarHBondContact OH-OE1 3.36Å; Y277-I299 HydrophobicContact CD1-CD1 4.23Å; Y277-I299 HydrophobicContact CD1-CG2 4.25Å; Y277-I299 HydrophobicContact CD2-CD1 3.71Å; Y277-I299 HydrophobicContact CE1-CD1 4.3Å; Y277-I299 HydrophobicContact CE2-CD1 3.8Å; Y277-I299 HydrophobicContact CG-CD1 3.95Å; Y277-I299 HydrophobicContact CG-CG2 4.23Å
278F95.1Very high90.9Very high36 Ų3675.9 Ų75.916%0.15837%0.367CS..EExtended strand (participates in β ladder)trans-114.3133.5-175.2-61.5-92.7000110.8Y254 S255 Y258 I266Y254-F278 CarbonylContact C-O 3.59Å; Y254-F278 WeakPolarHBondContact CA-O 3.45Å; S255-F278 PolarHBondContact N-O 3.22Å; S255-F278 PolarHBondContact O-N 3.43Å; Y258-F278 AromaticContact CD2-CD1 3.9Å; Y258-F278 HydrophobicContact CD2-CD1 3.9Å; Y258-F278 AromaticContact CD2-CE1 3.86Å; Y258-F278 HydrophobicContact CD2-CE1 3.86Å; Y258-F278 HydrophobicContact CG-CE1 4.35Å; Y258-F278 VanDerWaalsContact N-CD2 3.29Å; Y258-F278 VanDerWaalsContact N-CE2 3.31Å; I266-F278 CarbonylContact O-C 3.59Å; I266-F278 VanDerWaalsContact O-CA 3.29Å; I266-F278 WeakPolarHBondContact O-CA 3.36Å
279V94.4Very high90.8Very high1 Ų175.5 Ų75.51%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-130.3166-176.8-59.10000112Y264 T265 I266 R268 Y277 F283Y264-V279 WeakPolarHBondContact CA-O 3.27Å; T265-V279 PolarHBondContact N-O 2.84Å; I266-V279 HydrophobicContact CB-CG2 3.95Å; I266-V279 HydrophobicContact CG2-CG2 4.19Å; I266-V279 PolarHBondContact N-O 3.3Å; I266-V279 VanDerWaalsContact N-O 3.14Å; I266-V279 PolarHBondContact O-N 3.46Å; R268-V279 HydrophobicContact CG-CG2 4.2Å; Y277-V279 HydrophobicContact CD2-CG1 3.5Å; Y277-V279 HydrophobicContact CE2-CG1 3.42Å; Y277-V279 VanDerWaalsContact CE2-CG1 3.42Å; V279-F283 HydrophobicContact CB-CB 3.79Å; V279-F283 HydrophobicContact CB-CD1 4.21Å; V279-F283 HydrophobicContact CB-CD2 3.65Å; V279-F283 HydrophobicContact CB-CE2 4.24Å; V279-F283 HydrophobicContact CB-CG 3.62Å; V279-F283 HydrophobicContact CG1-CD1 4.15Å; V279-F283 HydrophobicContact CG1-CD2 3.52Å; V279-F283 HydrophobicContact CG1-CE1 4.2Å; V279-F283 HydrophobicContact CG1-CE2 3.58Å; V279-F283 HydrophobicContact CG1-CG 3.8Å; V279-F283 HydrophobicContact CG1-CZ 3.92Å; V279-F283 HydrophobicContact CG2-CB 3.75Å; V279-F283 HydrophobicContact CG2-CD1 3.95Å; V279-F283 HydrophobicContact CG2-CD2 4.29Å; V279-F283 HydrophobicContact CG2-CG 3.74Å
280D91.6Very high90.7Very high59 Ų5973.1 Ų73.132%0.31639%0.386SS..  trans-77.6174.6175.182.1-8.5000112N282 F283D280-N282 VanDerWaalsContact C-N 3.26Å; D280-N282 PolarHBondContact O-N 2.93Å; D280-N282 PolarHBondContact OD1-N 3.45Å; D280-F283 WeakPolarHBondContact O-CB 3.37Å; D280-F283 WeakPolarHBondContact OD1-CA 3.48Å; D280-F283 WeakPolarHBondContact OD1-CB 3.36Å; D280-F283 PolarHBondContact OD1-N 3.33Å
281K89.7Confident90.6Very high163 Ų16375.5 Ų75.571%0.70940%0.402SS*.THydrogen-bonded Turntrans-73-16.5179.6-61.1-179.3-178.6178.80113.8I266I266-K281 HydrophobicContact CD1-CB 4.46Å; I266-K281 HydrophobicContact CD1-CG 4.22Å
282N87.9Confident90.8Very high95 Ų9570.1 Ų70.151%0.50838%0.378SS..THydrogen-bonded Turntrans-98.9-2.9-176.5-70.3-34.9000112.8D280 D284 K285 A286D280-N282 VanDerWaalsContact C-N 3.26Å; D280-N282 PolarHBondContact O-N 2.93Å; D280-N282 PolarHBondContact OD1-N 3.45Å; N282-D284 VanDerWaalsContact C-N 3.32Å; N282-D284 PolarHBondContact O-N 2.97Å; N282-K285 WeakPolarHBondContact O-CB 3.41Å; N282-K285 PolarHBondContact O-N 3.5Å; N282-A286 PolarHBondContact O-N 3.02Å
283F90.5Very high91.2Very high2 Ų269 Ų691%0.00937%0.368CS..Hα-helixtrans-53.1-45.8-175.9-175.6-95.9000113.2Y277 V279 D280 K285 A286 Y287 L292 L295Y277-F283 HydrophobicContact CE2-CE1 4.41Å; Y277-F283 HydrophobicContact CE2-CZ 4.05Å; V279-F283 HydrophobicContact CB-CB 3.79Å; V279-F283 HydrophobicContact CB-CD1 4.21Å; V279-F283 HydrophobicContact CB-CD2 3.65Å; V279-F283 HydrophobicContact CB-CE2 4.24Å; V279-F283 HydrophobicContact CB-CG 3.62Å; V279-F283 HydrophobicContact CG1-CD1 4.15Å; V279-F283 HydrophobicContact CG1-CD2 3.52Å; V279-F283 HydrophobicContact CG1-CE1 4.2Å; V279-F283 HydrophobicContact CG1-CE2 3.58Å; V279-F283 HydrophobicContact CG1-CG 3.8Å; V279-F283 HydrophobicContact CG1-CZ 3.92Å; V279-F283 HydrophobicContact CG2-CB 3.75Å; V279-F283 HydrophobicContact CG2-CD1 3.95Å; V279-F283 HydrophobicContact CG2-CD2 4.29Å; V279-F283 HydrophobicContact CG2-CG 3.74Å; D280-F283 WeakPolarHBondContact O-CB 3.37Å; D280-F283 WeakPolarHBondContact OD1-CA 3.48Å; D280-F283 WeakPolarHBondContact OD1-CB 3.36Å; D280-F283 PolarHBondContact OD1-N 3.33Å; F283-K285 PolarHBondContact O-N 3.27Å; F283-K285 VanDerWaalsContact O-N 3.1Å; F283-A286 PolarHBondContact O-N 3.46Å; F283-Y287 AromaticContact CD2-CD2 3.71Å; F283-Y287 HydrophobicContact CD2-CD2 3.71Å; F283-Y287 HydrophobicContact CD2-CE2 4.28Å; F283-Y287 AromaticContact CE2-CD2 3.57Å; F283-Y287 HydrophobicContact CE2-CD2 3.57Å; F283-Y287 HydrophobicContact CE2-CE2 4.17Å; F283-Y287 HydrophobicContact CE2-CG 4.11Å; F283-Y287 HydrophobicContact CG-CD2 4.42Å; F283-Y287 HydrophobicContact CZ-CD2 4.19Å; F283-Y287 HydrophobicContact CZ-CG 4.31Å; F283-Y287 PolarHBondContact O-N 3.41Å; F283-L292 HydrophobicContact CE1-CD1 3.68Å; F283-L292 HydrophobicContact CZ-CD1 3.8Å; F283-L295 HydrophobicContact CE2-CD2 3.47Å; F283-L295 VanDerWaalsContact CE2-CD2 3.47Å; F283-L295 HydrophobicContact CZ-CD2 3.59Å
284D89.1Confident91.4Very high75 Ų7571.2 Ų71.240%0.40138%0.38SS..Hα-helixtrans-60.8-23.5179.5-72.2-52.5000113.2R268 N282 R288R268-D284 IonicContact CZ-OD1 3.76Å; R268-D284 IonicContact NH1-OD1 2.65Å; R268-D284 PolarHBondContact NH1-OD1 2.91Å; N282-D284 VanDerWaalsContact C-N 3.32Å; N282-D284 PolarHBondContact O-N 2.97Å; D284-R288 WeakPolarHBondContact O-CG 3.38Å; D284-R288 PolarHBondContact O-NE 2.98Å; D284-R288 PolarHBondContact O-NH2 3.39Å
285K88.3Confident91.5Very high156 Ų15665.5 Ų65.568%0.67835%0.354SS*.Hα-helixtrans-83.7-30176.5-62.4177.5-178.11720111.9N282 F283N282-K285 WeakPolarHBondContact O-CB 3.41Å; N282-K285 PolarHBondContact O-N 3.5Å; F283-K285 PolarHBondContact O-N 3.27Å; F283-K285 VanDerWaalsContact O-N 3.1Å
286A86.4Confident91.6Very high69 Ų6965.7 Ų65.757%0.5736%0.355SS*.Hα-helixtrans-88-36.1-175.400000113.2N282 F283N282-A286 PolarHBondContact O-N 3.02Å; F283-A286 PolarHBondContact O-N 3.46Å
287Y89.2Confident91.6Very high71 Ų7169.6 Ų69.628%0.27837%0.366SS..  trans-123.9117.9-174.8-62.4-83.9000111P253 F283 L295P253-Y287 HydrophobicContact CB-CE2 3.75Å; P253-Y287 WeakPolarHBondContact CB-OH 3.24Å; F283-Y287 AromaticContact CD2-CD2 3.71Å; F283-Y287 HydrophobicContact CD2-CD2 3.71Å; F283-Y287 HydrophobicContact CD2-CE2 4.28Å; F283-Y287 AromaticContact CE2-CD2 3.57Å; F283-Y287 HydrophobicContact CE2-CD2 3.57Å; F283-Y287 HydrophobicContact CE2-CE2 4.17Å; F283-Y287 HydrophobicContact CE2-CG 4.11Å; F283-Y287 HydrophobicContact CG-CD2 4.42Å; F283-Y287 HydrophobicContact CZ-CD2 4.19Å; F283-Y287 HydrophobicContact CZ-CG 4.31Å; F283-Y287 PolarHBondContact O-N 3.41Å; Y287-L295 HydrophobicContact CD1-CB 4.38Å; Y287-L295 HydrophobicContact CD1-CD2 3.75Å; Y287-L295 HydrophobicContact CD2-CD2 4.1Å; Y287-L295 HydrophobicContact CE1-CD2 3.91Å; Y287-L295 HydrophobicContact CE2-CD2 4.25Å; Y287-L295 HydrophobicContact CG-CD2 3.85Å
288R91.1Very high91.6Very high163 Ų16372.8 Ų72.862%0.61539%0.385SS*.  trans-148.4145.1179-68.2-170.6178.5123.12.9111.2D284 A290 S291D284-R288 WeakPolarHBondContact O-CG 3.38Å; D284-R288 PolarHBondContact O-NE 2.98Å; D284-R288 PolarHBondContact O-NH2 3.39Å; R288-A290 PolarHBondContact O-N 3.36Å; R288-S291 PolarHBondContact N-OG 3.38Å; R288-S291 PolarHBondContact O-N 3.31Å; R288-S291 PolarHBondContact O-OG 3Å; R288-S291 VanDerWaalsContact O-OG 3.1Å
289G91.2Very high91.6Very high60 Ų6071 Ų7162%0.61938%0.378SS*.THydrogen-bonded Turntrans61.7-122.5175.200000112.1S291 L292 H293G289-S291 PolarHBondContact O-N 3.04Å; G289-L292 WeakPolarHBondContact O-CB 3.4Å; G289-L292 PolarHBondContact O-N 3.31Å; G289-H293 PolarHBondContact O-N 3.49Å; G289-H293 VanDerWaalsContact O-N 3.16Å
290A91.8Very high91.6Very high74 Ų7472 Ų7261%0.61238%0.382SS*.Hα-helixtrans-61.3-40.8-176.900000113.3R288 L292 H293 D294R288-A290 PolarHBondContact O-N 3.36Å; A290-L292 VanDerWaalsContact C-N 3.26Å; A290-L292 PolarHBondContact O-N 3.25Å; A290-H293 WeakPolarHBondContact O-CB 3.33Å; A290-H293 PolarHBondContact O-N 2.9Å; A290-H293 VanDerWaalsContact O-N 3.13Å; A290-D294 PolarHBondContact O-N 3.44Å
291S91.1Very high91.7Very high53 Ų5375.4 Ų75.437%0.37139%0.394SS..Hα-helixtrans-67.9-27.8179.663.40000113R288 G289 L295R288-S291 PolarHBondContact N-OG 3.38Å; R288-S291 PolarHBondContact O-N 3.31Å; R288-S291 PolarHBondContact O-OG 3Å; R288-S291 VanDerWaalsContact O-OG 3.1Å; G289-S291 PolarHBondContact O-N 3.04Å; S291-L295 WeakPolarHBondContact O-CB 3.36Å; S291-L295 PolarHBondContact O-N 3.1Å
292L93.1Very high91.9Very high19 Ų1970.7 Ų70.710%0.09938%0.376CS..Hα-helixtrans-70.6-42.5172179.164.4000110.6F283 G289 A290 L295 E296F283-L292 HydrophobicContact CE1-CD1 3.68Å; F283-L292 HydrophobicContact CZ-CD1 3.8Å; G289-L292 WeakPolarHBondContact O-CB 3.4Å; G289-L292 PolarHBondContact O-N 3.31Å; A290-L292 VanDerWaalsContact C-N 3.26Å; A290-L292 PolarHBondContact O-N 3.25Å; L292-L295 PolarHBondContact O-N 2.89Å; L292-E296 HydrophobicContact CD1-CG 4.26Å; L292-E296 HydrophobicContact CG-CG 4.42Å; L292-E296 WeakPolarHBondContact O-CB 3.43Å; L292-E296 WeakPolarHBondContact O-CG 3.44Å; L292-E296 PolarHBondContact O-N 3.33Å
293H93.8Very high92.2Very high103 Ų10368.3 Ų68.348%0.47736%0.361SS..Hα-helixtrans-62.9-44.1178.5-17570.2000112.2G289 A290 L295 E296 K297G289-H293 PolarHBondContact O-N 3.49Å; G289-H293 VanDerWaalsContact O-N 3.16Å; A290-H293 WeakPolarHBondContact O-CB 3.33Å; A290-H293 PolarHBondContact O-N 2.9Å; A290-H293 VanDerWaalsContact O-N 3.13Å; H293-L295 VanDerWaalsContact C-N 3.31Å; H293-L295 PolarHBondContact O-N 3.1Å; H293-E296 PolarHBondContact O-N 3.42Å; H293-K297 WeakPolarHBondContact O-CB 3.46Å; H293-K297 PolarHBondContact O-N 3.13Å
294D93.1Very high92.4Very high99 Ų9970.4 Ų70.453%0.52937%0.372SS..Hα-helixtrans-63.8-37.7176.6-70.1-27.9000112.2A290 T298A290-D294 PolarHBondContact O-N 3.44Å; D294-T298 PolarHBondContact O-N 3.32Å; D294-T298 PolarHBondContact O-OG1 3.09Å
295L93.3Very high92.6Very high17 Ų1770.2 Ų70.29%0.08937%0.37CS..Hα-helixtrans-67.4-46.6175.1-17665.7000111.5P253 Y254 F283 Y287 S291 L292 H293 K297 T298 I299P253-L295 HydrophobicContact CG-CD1 4.17Å; Y254-L295 HydrophobicContact CD1-CD1 3.82Å; Y254-L295 HydrophobicContact CD1-CG 4.37Å; Y254-L295 HydrophobicContact CE1-CD1 3.66Å; Y254-L295 HydrophobicContact CE1-CG 4.5Å; F283-L295 HydrophobicContact CE2-CD2 3.47Å; F283-L295 VanDerWaalsContact CE2-CD2 3.47Å; F283-L295 HydrophobicContact CZ-CD2 3.59Å; Y287-L295 HydrophobicContact CD1-CB 4.38Å; Y287-L295 HydrophobicContact CD1-CD2 3.75Å; Y287-L295 HydrophobicContact CD2-CD2 4.1Å; Y287-L295 HydrophobicContact CE1-CD2 3.91Å; Y287-L295 HydrophobicContact CE2-CD2 4.25Å; Y287-L295 HydrophobicContact CG-CD2 3.85Å; S291-L295 WeakPolarHBondContact O-CB 3.36Å; S291-L295 PolarHBondContact O-N 3.1Å; L292-L295 PolarHBondContact O-N 2.89Å; H293-L295 VanDerWaalsContact C-N 3.31Å; H293-L295 PolarHBondContact O-N 3.1Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.21Å; L295-T298 CarbonylContact O-C 3.57Å; L295-T298 WeakPolarHBondContact O-CA 3.45Å; L295-T298 WeakPolarHBondContact O-CB 3.47Å; L295-T298 PolarHBondContact O-N 3.05Å; L295-I299 HydrophobicContact CD2-CD1 4.49Å; L295-I299 HydrophobicContact CG-CD1 3.99Å; L295-I299 HydrophobicContact CG-CG1 4.48Å; L295-I299 WeakPolarHBondContact O-CG1 3.48Å; L295-I299 PolarHBondContact O-N 2.79Å
296E94.8Very high92.9Very high8 Ų866.7 Ų66.74%0.03735%0.354CS..Hα-helixtrans-60.1-39.3177-75.3-177.9-179.600111.8T270 Q271 Y277 L292 H293 T298 I299 E300T270-E296 HydrophobicContact CG2-CB 4.17Å; T270-E296 HydrophobicContact CG2-CG 4.17Å; Q271-E296 VanDerWaalsContact CG-OE2 3.27Å; Q271-E296 WeakPolarHBondContact CG-OE2 3.47Å; Q271-E296 PolarHBondContact N-OE2 2.92Å; Q271-E296 VanDerWaalsContact N-OE2 3.15Å; Y277-E296 PolarHBondContact OH-OE1 3.36Å; L292-E296 HydrophobicContact CD1-CG 4.26Å; L292-E296 HydrophobicContact CG-CG 4.42Å; L292-E296 WeakPolarHBondContact O-CB 3.43Å; L292-E296 WeakPolarHBondContact O-CG 3.44Å; L292-E296 PolarHBondContact O-N 3.33Å; H293-E296 PolarHBondContact O-N 3.42Å; E296-T298 VanDerWaalsContact C-N 3.26Å; E296-T298 PolarHBondContact O-N 3.39Å; E296-I299 WeakPolarHBondContact O-CB 3.34Å; E296-I299 PolarHBondContact O-N 2.94Å; E296-E300 WeakPolarHBondContact O-CB 3.33Å; E296-E300 VanDerWaalsContact O-CG 3.32Å; E296-E300 WeakPolarHBondContact O-CG 3.33Å; E296-E300 PolarHBondContact O-N 3.48Å
297K94Very high93.3Very high139 Ų13963.4 Ų63.460%0.60433%0.327SS*.Hα-helixtrans-60.5-37.5172.9-174.3177.9-177.9178.20112.4H293 L295 K301H293-K297 WeakPolarHBondContact O-CB 3.46Å; H293-K297 PolarHBondContact O-N 3.13Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.21Å; K297-K301 PolarHBondContact O-N 2.71Å; K297-K301 VanDerWaalsContact O-N 3.13Å
298T94.2Very high93.6Very high66 Ų6664.4 Ų64.441%0.40533%0.334SS..Hα-helixtrans-69.5-43.9175.6-53.20000110.8D294 L295 E296 E300 K301 D302D294-T298 PolarHBondContact O-N 3.32Å; D294-T298 PolarHBondContact O-OG1 3.09Å; L295-T298 CarbonylContact O-C 3.57Å; L295-T298 WeakPolarHBondContact O-CA 3.45Å; L295-T298 WeakPolarHBondContact O-CB 3.47Å; L295-T298 PolarHBondContact O-N 3.05Å; E296-T298 VanDerWaalsContact C-N 3.26Å; E296-T298 PolarHBondContact O-N 3.39Å; T298-E300 VanDerWaalsContact C-N 3.33Å; T298-E300 PolarHBondContact O-N 3.45Å; T298-K301 WeakPolarHBondContact O-CB 3.32Å; T298-K301 PolarHBondContact O-N 2.9Å; T298-D302 PolarHBondContact O-N 3.38Å
299I95.3Very high93.8Very high0 Ų060 Ų600%033%0.325CS..Hα-helixtrans-58.1-45.4175.3-67.4165.1000110.9Y254 L256 T270 V275 Y277 L295 E296 K301 D302 Y303Y254-I299 HydrophobicContact CD1-CD1 3.96Å; Y254-I299 HydrophobicContact CD1-CG1 3.74Å; Y254-I299 HydrophobicContact CD2-CD1 4.29Å; Y254-I299 HydrophobicContact CD2-CG1 3.74Å; Y254-I299 HydrophobicContact CE1-CD1 4.29Å; Y254-I299 HydrophobicContact CE1-CG1 3.6Å; Y254-I299 HydrophobicContact CE2-CB 4.38Å; Y254-I299 HydrophobicContact CE2-CG1 3.61Å; Y254-I299 HydrophobicContact CG-CD1 3.97Å; Y254-I299 HydrophobicContact CG-CG1 3.82Å; L256-I299 HydrophobicContact CD2-CG2 3.92Å; T270-I299 HydrophobicContact CG2-CB 4.28Å; T270-I299 HydrophobicContact CG2-CG2 3.86Å; V275-I299 HydrophobicContact CG1-CG2 4.48Å; Y277-I299 HydrophobicContact CD1-CD1 4.23Å; Y277-I299 HydrophobicContact CD1-CG2 4.25Å; Y277-I299 HydrophobicContact CD2-CD1 3.71Å; Y277-I299 HydrophobicContact CE1-CD1 4.3Å; Y277-I299 HydrophobicContact CE2-CD1 3.8Å; Y277-I299 HydrophobicContact CG-CD1 3.95Å; Y277-I299 HydrophobicContact CG-CG2 4.23Å; L295-I299 HydrophobicContact CD2-CD1 4.49Å; L295-I299 HydrophobicContact CG-CD1 3.99Å; L295-I299 HydrophobicContact CG-CG1 4.48Å; L295-I299 WeakPolarHBondContact O-CG1 3.48Å; L295-I299 PolarHBondContact O-N 2.79Å; E296-I299 WeakPolarHBondContact O-CB 3.34Å; E296-I299 PolarHBondContact O-N 2.94Å; I299-K301 VanDerWaalsContact C-N 3.34Å; I299-K301 PolarHBondContact O-N 3Å; I299-D302 PolarHBondContact O-N 3.32Å; I299-Y303 WeakPolarHBondContact O-CB 3.32Å; I299-Y303 PolarHBondContact O-N 2.93Å
300E94Very high94.1Very high20 Ų2057.9 Ų57.99%0.09330%0.301CS..Hα-helixtrans-62.3-41.9178.3-76.7-17717700112T270 N272 L273 V275 E296 T298 Y303 I304T270-E300 WeakPolarHBondContact CB-OE1 3.49Å; T270-E300 HydrophobicContact CG2-CG 3.99Å; T270-E300 PolarHBondContact OG1-OE1 2.93Å; N272-E300 WeakPolarHBondContact CB-OE1 3.28Å; N272-E300 PolarHBondContact N-OE1 3.39Å; N272-E300 PolarHBondContact ND2-OE2 3.04Å; L273-E300 HydrophobicContact CB-CG 4.09Å; L273-E300 HydrophobicContact CD1-CB 3.99Å; L273-E300 HydrophobicContact CD1-CG 4.02Å; L273-E300 HydrophobicContact CG-CG 4.26Å; L273-E300 PolarHBondContact N-OE1 3.28Å; V275-E300 HydrophobicContact CG2-CG 4.42Å; E296-E300 WeakPolarHBondContact O-CB 3.33Å; E296-E300 VanDerWaalsContact O-CG 3.32Å; E296-E300 WeakPolarHBondContact O-CG 3.33Å; E296-E300 PolarHBondContact O-N 3.48Å; T298-E300 VanDerWaalsContact C-N 3.33Å; T298-E300 PolarHBondContact O-N 3.45Å; E300-Y303 PolarHBondContact O-N 3.17Å; E300-I304 WeakPolarHBondContact O-CD1 3.27Å; E300-I304 VanDerWaalsContact O-CG1 3.27Å; E300-I304 WeakPolarHBondContact O-CG1 3.49Å; E300-I304 PolarHBondContact O-N 3.01Å
301K93.7Very high94.3Very high132 Ų13255.2 Ų55.257%0.57428%0.277SS*.Hα-helixtrans-62-50.9174.8-178.6179.4174.8175.50111.4K297 T298 I299 Y303 I304 D305K297-K301 PolarHBondContact O-N 2.71Å; K297-K301 VanDerWaalsContact O-N 3.13Å; T298-K301 WeakPolarHBondContact O-CB 3.32Å; T298-K301 PolarHBondContact O-N 2.9Å; I299-K301 VanDerWaalsContact C-N 3.34Å; I299-K301 PolarHBondContact O-N 3Å; K301-Y303 PolarHBondContact O-N 3.43Å; K301-I304 WeakPolarHBondContact O-CB 3.21Å; K301-I304 PolarHBondContact O-N 2.86Å; K301-I304 VanDerWaalsContact O-N 3.12Å; K301-D305 PolarHBondContact O-N 3.39Å
302D94.7Very high94.6Very high63 Ų6360.6 Ų60.634%0.33729%0.29SS..Hα-helixtrans-60.4-37.2179.5-74-0.3000111.8Y254 T298 I299 D305 Y306Y254-D302 PolarHBondContact OH-OD2 3.14Å; T298-D302 PolarHBondContact O-N 3.38Å; I299-D302 PolarHBondContact O-N 3.32Å; D302-D305 PolarHBondContact O-N 3.01Å; D302-Y306 VanDerWaalsContact O-CB 3.32Å; D302-Y306 WeakPolarHBondContact O-CB 3.2Å; D302-Y306 PolarHBondContact O-N 3.21Å
303Y94.6Very high94.8Very high45 Ų4565.3 Ų65.318%0.17631%0.309CS..Hα-helixtrans-65-43175.7-178.7-104.8000112.1L256 V275 I299 E300 K301 Y306 I307 L351L256-Y303 HydrophobicContact CD1-CD2 4.43Å; L256-Y303 HydrophobicContact CD2-CD2 4.36Å; V275-Y303 HydrophobicContact CB-CD1 4.34Å; V275-Y303 HydrophobicContact CB-CG 4.31Å; V275-Y303 HydrophobicContact CG1-CD1 3.88Å; V275-Y303 HydrophobicContact CG1-CD2 3.5Å; V275-Y303 VanDerWaalsContact CG1-CD2 3.5Å; V275-Y303 HydrophobicContact CG1-CE1 4.35Å; V275-Y303 HydrophobicContact CG1-CE2 4.01Å; V275-Y303 HydrophobicContact CG1-CG 3.41Å; V275-Y303 VanDerWaalsContact CG1-CG 3.41Å; V275-Y303 HydrophobicContact CG2-CD1 3.46Å; V275-Y303 VanDerWaalsContact CG2-CD1 3.46Å; V275-Y303 HydrophobicContact CG2-CE1 3.88Å; V275-Y303 HydrophobicContact CG2-CG 3.86Å; I299-Y303 WeakPolarHBondContact O-CB 3.32Å; I299-Y303 PolarHBondContact O-N 2.93Å; E300-Y303 PolarHBondContact O-N 3.17Å; K301-Y303 PolarHBondContact O-N 3.43Å; Y303-Y306 WeakPolarHBondContact O-CB 3.39Å; Y303-Y306 PolarHBondContact O-N 3.41Å; Y303-I307 HydrophobicContact CD1-CG1 4.22Å; Y303-I307 HydrophobicContact CD2-CG1 4.4Å; Y303-I307 HydrophobicContact CE1-CD1 4.48Å; Y303-I307 HydrophobicContact CE1-CG1 3.83Å; Y303-I307 HydrophobicContact CE2-CD1 4.15Å; Y303-I307 HydrophobicContact CE2-CG1 4.03Å; Y303-I307 HydrophobicContact CG-CG1 4.5Å; Y303-I307 WeakPolarHBondContact O-CB 3.29Å; Y303-I307 VanDerWaalsContact O-CG1 3.29Å; Y303-I307 WeakPolarHBondContact O-CG1 3.49Å; Y303-I307 PolarHBondContact O-N 2.84Å; Y303-L351 HydrophobicContact CD1-CD1 4.44Å; Y303-L351 HydrophobicContact CE1-CD1 4.07Å
304I93.3Very high94.9Very high47 Ų4761.6 Ų61.624%0.24129%0.292CS..Hα-helixtrans-60.8-47.1175.2-68.7163.5000110.1L273 E300 K301 Y306 I307 Q308L273-I304 HydrophobicContact CD1-CD1 4.04Å; L273-I304 HydrophobicContact CD1-CG1 4.49Å; E300-I304 WeakPolarHBondContact O-CD1 3.27Å; E300-I304 VanDerWaalsContact O-CG1 3.27Å; E300-I304 WeakPolarHBondContact O-CG1 3.49Å; E300-I304 PolarHBondContact O-N 3.01Å; K301-I304 WeakPolarHBondContact O-CB 3.21Å; K301-I304 PolarHBondContact O-N 2.86Å; K301-I304 VanDerWaalsContact O-N 3.12Å; I304-Y306 VanDerWaalsContact C-N 3.31Å; I304-Y306 PolarHBondContact O-N 2.95Å; I304-I307 PolarHBondContact O-N 3.13Å; I304-Q308 HydrophobicContact CG2-CG 4.37Å; I304-Q308 WeakPolarHBondContact O-CB 3.25Å; I304-Q308 VanDerWaalsContact O-CG 3.32Å; I304-Q308 WeakPolarHBondContact O-CG 3.45Å; I304-Q308 PolarHBondContact O-N 3.21Å
305D94.1Very high95Very high70 Ų7063.5 Ų63.537%0.37430%0.296SS..Hα-helixtrans-62.8-39.6179.5-69.6-12.9000111.3K301 D302 Q308 T309K301-D305 PolarHBondContact O-N 3.39Å; D302-D305 PolarHBondContact O-N 3.01Å; D305-Q308 PolarHBondContact O-N 3.36Å; D305-T309 WeakPolarHBondContact O-CB 3.36Å; D305-T309 PolarHBondContact O-N 2.57Å; D305-T309 PolarHBondContact O-OG1 2.93Å
306Y95.2Very high95.2Very high82 Ų8266.3 Ų66.332%0.32231%0.308SS..Hα-helixtrans-60.6-48.3172.8166.4-102.4000112.1F257 D302 Y303 I304 T309 S310F257-Y306 HydrophobicContact CE1-CE1 4.36Å; F257-Y306 HydrophobicContact CE2-CE2 4.27Å; F257-Y306 HydrophobicContact CZ-CD1 4.36Å; F257-Y306 HydrophobicContact CZ-CD2 4.22Å; F257-Y306 AromaticContact CZ-CE1 3.82Å; F257-Y306 HydrophobicContact CZ-CE1 3.82Å; F257-Y306 AromaticContact CZ-CE2 3.65Å; F257-Y306 HydrophobicContact CZ-CE2 3.65Å; F257-Y306 AromaticContact CZ-CZ 3.44Å; F257-Y306 VanDerWaalsContact CZ-CZ 3.44Å; D302-Y306 VanDerWaalsContact O-CB 3.32Å; D302-Y306 WeakPolarHBondContact O-CB 3.2Å; D302-Y306 PolarHBondContact O-N 3.21Å; Y303-Y306 WeakPolarHBondContact O-CB 3.39Å; Y303-Y306 PolarHBondContact O-N 3.41Å; I304-Y306 VanDerWaalsContact C-N 3.31Å; I304-Y306 PolarHBondContact O-N 2.95Å; Y306-T309 PolarHBondContact O-N 3.37Å; Y306-S310 WeakPolarHBondContact CE2-OG 3.26Å; Y306-S310 VanDerWaalsContact O-CB 3.25Å; Y306-S310 WeakPolarHBondContact O-CB 3.42Å; Y306-S310 PolarHBondContact O-N 3.37Å; Y306-S310 PolarHBondContact O-OG 3.35Å
307I94.8Very high95.2Very high1 Ų170.9 Ų70.91%0.00533%0.33CS..Hα-helixtrans-66.7-39.4-179.1-69.3-65.1000110.9Y303 I304 S310 C311 N344 K347 L348 L351Y303-I307 HydrophobicContact CD1-CG1 4.22Å; Y303-I307 HydrophobicContact CD2-CG1 4.4Å; Y303-I307 HydrophobicContact CE1-CD1 4.48Å; Y303-I307 HydrophobicContact CE1-CG1 3.83Å; Y303-I307 HydrophobicContact CE2-CD1 4.15Å; Y303-I307 HydrophobicContact CE2-CG1 4.03Å; Y303-I307 HydrophobicContact CG-CG1 4.5Å; Y303-I307 WeakPolarHBondContact O-CB 3.29Å; Y303-I307 VanDerWaalsContact O-CG1 3.29Å; Y303-I307 WeakPolarHBondContact O-CG1 3.49Å; Y303-I307 PolarHBondContact O-N 2.84Å; I304-I307 PolarHBondContact O-N 3.13Å; I307-S310 PolarHBondContact O-N 2.9Å; I307-C311 VanDerWaalsContact O-CB 3.28Å; I307-C311 WeakPolarHBondContact O-CB 3.32Å; I307-C311 PolarHBondContact O-N 2.7Å; I307-N344 WeakPolarHBondContact CG2-O 3.41Å; I307-K347 HydrophobicContact CD1-CD 4.2Å; I307-K347 HydrophobicContact CG2-CB 4.33Å; I307-L348 HydrophobicContact CG2-CB 3.72Å; I307-L348 HydrophobicContact CG2-CD1 4.12Å; I307-L348 HydrophobicContact CG2-CG 4.46Å; I307-L351 HydrophobicContact CG2-CD1 4.48Å
308Q94.5Very high95.3Very high92 Ų9267.2 Ų67.243%0.4331%0.314SS..Hα-helixtrans-60.4-50.8174.2-74.91808.900111.8I304 D305 S310 C311 W312 L348I304-Q308 HydrophobicContact CG2-CG 4.37Å; I304-Q308 WeakPolarHBondContact O-CB 3.25Å; I304-Q308 VanDerWaalsContact O-CG 3.32Å; I304-Q308 WeakPolarHBondContact O-CG 3.45Å; I304-Q308 PolarHBondContact O-N 3.21Å; D305-Q308 PolarHBondContact O-N 3.36Å; Q308-S310 VanDerWaalsContact C-N 3.31Å; Q308-S310 PolarHBondContact O-N 2.71Å; Q308-C311 PolarHBondContact O-N 3.44Å; Q308-W312 PolarHBondContact O-N 2.89Å; Q308-L348 HydrophobicContact CG-CD1 3.57Å; Q308-L348 HydrophobicContact CG-CD2 4.08Å
309T96.3Very high95.4Very high71 Ų7166.4 Ų66.444%0.43631%0.311SS..Hα-helixtrans-63-40.3179.4-56.30000111.3D305 Y306 W312 K313D305-T309 WeakPolarHBondContact O-CB 3.36Å; D305-T309 PolarHBondContact O-N 2.57Å; D305-T309 PolarHBondContact O-OG1 2.93Å; Y306-T309 PolarHBondContact O-N 3.37Å; T309-W312 PolarHBondContact O-N 3.49Å; T309-K313 WeakPolarHBondContact O-CG 3.32Å; T309-K313 PolarHBondContact O-N 3.42Å
310S96.3Very high95.5Very high15 Ų1570.9 Ų70.911%0.10533%0.332CS..Hα-helixtrans-68.4-42.8178.9-59.40000111.8Y306 I307 Q308 W312 K313 E314Y306-S310 WeakPolarHBondContact CE2-OG 3.26Å; Y306-S310 VanDerWaalsContact O-CB 3.25Å; Y306-S310 WeakPolarHBondContact O-CB 3.42Å; Y306-S310 PolarHBondContact O-N 3.37Å; Y306-S310 PolarHBondContact O-OG 3.35Å; I307-S310 PolarHBondContact O-N 2.9Å; Q308-S310 VanDerWaalsContact C-N 3.31Å; Q308-S310 PolarHBondContact O-N 2.71Å; S310-W312 VanDerWaalsContact C-N 3.32Å; S310-W312 PolarHBondContact O-N 2.75Å; S310-K313 WeakPolarHBondContact O-CB 3.45Å; S310-K313 PolarHBondContact O-N 3.37Å; S310-E314 WeakPolarHBondContact O-CG 3.24Å; S310-E314 PolarHBondContact O-N 3.2Å
311C97.1Very high95.5Very high18 Ų1871.1 Ų71.112%0.12233%0.334CS..Hα-helixtrans-60.2-42.5172.6169.80000111.8I307 Q308 K313 E314 K315 C345 L348I307-C311 VanDerWaalsContact O-CB 3.28Å; I307-C311 WeakPolarHBondContact O-CB 3.32Å; I307-C311 PolarHBondContact O-N 2.7Å; Q308-C311 PolarHBondContact O-N 3.44Å; C311-K313 VanDerWaalsContact C-N 3.32Å; C311-K313 PolarHBondContact O-N 3.03Å; C311-E314 PolarHBondContact O-N 3.31Å; C311-K315 WeakPolarHBondContact O-CB 3.46Å; C311-K315 PolarHBondContact O-N 3.15Å; C311-C345 WeakPolarHBondContact CA-SG 3.36Å; C311-C345 HydrophobicContact CB-CB 3.95Å; C311-C345 WeakPolarHBondContact CB-SG 3.22Å; C311-C345 PolarHBondContact O-SG 3.25Å; C311-C345 VanDerWaalsContact O-SG 3.33Å; C311-C345 WeakPolarHBondContact SG-CA 3.43Å; C311-C345 WeakPolarHBondContact SG-CB 3.37Å; C311-C345 CovalentContact SG-SG 2.04Å; C311-C345 PolarHBondContact SG-SG 3.36Å; C311-L348 HydrophobicContact CB-CD2 4.19Å
312W96.4Very high95.6Very high166 Ų16668.2 Ų68.263%0.62933%0.327SS*.Hα-helixtrans-59.4-44.1176-177.485.3000111.5Q308 T309 S310 K315 Q316Q308-W312 PolarHBondContact O-N 2.89Å; T309-W312 PolarHBondContact O-N 3.49Å; S310-W312 VanDerWaalsContact C-N 3.32Å; S310-W312 PolarHBondContact O-N 2.75Å; W312-K315 PolarHBondContact O-N 3.26Å; W312-Q316 WeakPolarHBondContact O-CB 3.49Å; W312-Q316 PolarHBondContact O-N 3.37Å
313K97.1Very high95.7Very high117 Ų11770.2 Ų70.251%0.50934%0.338SS..Hα-helixtrans-62.3-45.1175.3-71.8174.2-179.6177.30112.7T309 S310 C311 K315 Q316 Q317T309-K313 WeakPolarHBondContact O-CG 3.32Å; T309-K313 PolarHBondContact O-N 3.42Å; S310-K313 WeakPolarHBondContact O-CB 3.45Å; S310-K313 PolarHBondContact O-N 3.37Å; C311-K313 VanDerWaalsContact C-N 3.32Å; C311-K313 PolarHBondContact O-N 3.03Å; K313-K315 VanDerWaalsContact C-N 3.35Å; K313-K315 PolarHBondContact O-N 3.33Å; K313-Q316 PolarHBondContact O-N 3.31Å; K313-Q317 WeakPolarHBondContact O-CG 3.33Å; K313-Q317 PolarHBondContact O-N 3.46Å
314E96.2Very high95.8Very high26 Ų2671.7 Ų71.712%0.12135%0.348CS..Hα-helixtrans-60.8-44.2177-72.5177.217400111.6S310 C311 Q316 Q317 K318 L342 E343 N344 C345S310-E314 WeakPolarHBondContact O-CG 3.24Å; S310-E314 PolarHBondContact O-N 3.2Å; C311-E314 PolarHBondContact O-N 3.31Å; E314-Q316 VanDerWaalsContact C-N 3.33Å; E314-Q316 PolarHBondContact O-N 3.42Å; E314-Q317 PolarHBondContact O-N 2.83Å; E314-K318 PolarHBondContact O-N 3.37Å; E314-L342 HydrophobicContact CB-CD2 3.61Å; E314-L342 VanDerWaalsContact OE2-CA 3.27Å; E314-L342 WeakPolarHBondContact OE2-CA 3.5Å; E314-E343 PolarHBondContact OE2-N 3.42Å; E314-N344 WeakPolarHBondContact OE1-CB 3.29Å; E314-N344 PolarHBondContact OE1-N 3.45Å; E314-N344 PolarHBondContact OE1-ND2 3.1Å; E314-N344 PolarHBondContact OE2-N 2.82Å; E314-N344 VanDerWaalsContact OE2-N 3.09Å; E314-C345 PolarHBondContact OE2-N 3.21Å
315K95.9Very high95.9Very high138 Ų13869.8 Ų69.860%0.634%0.34SS*.Hα-helixtrans-63.6-41.4177.1-173179.8180-177.30111.4C311 W312 K313 K318 S319C311-K315 WeakPolarHBondContact O-CB 3.46Å; C311-K315 PolarHBondContact O-N 3.15Å; W312-K315 PolarHBondContact O-N 3.26Å; K313-K315 VanDerWaalsContact C-N 3.35Å; K313-K315 PolarHBondContact O-N 3.33Å; K315-K318 PolarHBondContact O-N 2.85Å; K315-S319 WeakPolarHBondContact O-CB 3.36Å; K315-S319 PolarHBondContact O-N 2.88Å
316Q96.5Very high95.9Very high76 Ų7669.2 Ų69.236%0.35535%0.351SS..Hα-helixtrans-61.8-49.1176.6-176.262.120.400110.9W312 K313 E314 K318 S319 E320W312-Q316 WeakPolarHBondContact O-CB 3.49Å; W312-Q316 PolarHBondContact O-N 3.37Å; K313-Q316 PolarHBondContact O-N 3.31Å; E314-Q316 VanDerWaalsContact C-N 3.33Å; E314-Q316 PolarHBondContact O-N 3.42Å; Q316-K318 VanDerWaalsContact C-N 3.32Å; Q316-K318 PolarHBondContact O-N 2.91Å; Q316-S319 PolarHBondContact O-N 3.45Å; Q316-S319 VanDerWaalsContact O-N 3.15Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.34Å; Q316-E320 PolarHBondContact NE2-OE1 3.26Å; Q316-E320 WeakPolarHBondContact O-CG 3.46Å; Q316-E320 PolarHBondContact O-N 3.2Å
317Q96Very high96Very high104 Ų10471.4 Ų71.449%0.48637%0.367SS..Hα-helixtrans-58.1-43.1176.5-74.3178.6-17.600112.4K313 E314 E320 L321 L340K313-Q317 WeakPolarHBondContact O-CG 3.33Å; K313-Q317 PolarHBondContact O-N 3.46Å; E314-Q317 PolarHBondContact O-N 2.83Å; Q317-E320 PolarHBondContact O-N 3.39Å; Q317-L321 WeakPolarHBondContact O-CG 3.27Å; Q317-L321 PolarHBondContact O-N 3.48Å; Q317-L340 HydrophobicContact CB-CD1 4.45Å
318K96.2Very high96Very high62 Ų6279 Ų7927%0.2740%0.397SS..Hα-helixtrans-61.5-47.8175.4-173.9165.1-177.5151.90111.4E314 K315 Q316 E320 L321 T322 A337 L340 L342E314-K318 PolarHBondContact O-N 3.37Å; K315-K318 PolarHBondContact O-N 2.85Å; Q316-K318 VanDerWaalsContact C-N 3.32Å; Q316-K318 PolarHBondContact O-N 2.91Å; K318-E320 VanDerWaalsContact C-N 3.34Å; K318-E320 PolarHBondContact O-N 2.81Å; K318-L321 PolarHBondContact O-N 3.11Å; K318-T322 PolarHBondContact O-N 2.74Å; K318-T322 PolarHBondContact O-OG1 3.29Å; K318-A337 WeakPolarHBondContact CE-O 3.46Å; K318-L340 HydrophobicContact CB-CD2 4.31Å; K318-L340 PolarHBondContact NZ-O 2.98Å; K318-L342 HydrophobicContact CB-CD2 4.38Å; K318-L342 HydrophobicContact CD-CD1 4.25Å; K318-L342 HydrophobicContact CD-CD2 4.21Å; K318-L342 HydrophobicContact CD-CG 4.36Å
319S95.4Very high96Very high50 Ų5085.7 Ų85.735%0.3542%0.418SS..Hα-helixtrans-62-41.5179.3-170.80000112.1K315 Q316 T322 N323K315-S319 WeakPolarHBondContact O-CB 3.36Å; K315-S319 PolarHBondContact O-N 2.88Å; Q316-S319 PolarHBondContact O-N 3.45Å; Q316-S319 VanDerWaalsContact O-N 3.15Å; S319-T322 PolarHBondContact O-N 3.32Å; S319-N323 WeakPolarHBondContact O-CB 3.24Å; S319-N323 PolarHBondContact O-N 3.42Å; S319-N323 PolarHBondContact O-ND2 3.48Å
320E96.5Very high96Very high93 Ų9385.3 Ų85.344%0.43541%0.413SS..Hα-helixtrans-61.9-46.4177-75.4172.4-174.600111.1Q316 Q317 K318 T322 N323 L324Q316-E320 WeakPolarHBondContact CG-OE1 3.34Å; Q316-E320 PolarHBondContact NE2-OE1 3.26Å; Q316-E320 WeakPolarHBondContact O-CG 3.46Å; Q316-E320 PolarHBondContact O-N 3.2Å; Q317-E320 PolarHBondContact O-N 3.39Å; K318-E320 VanDerWaalsContact C-N 3.34Å; K318-E320 PolarHBondContact O-N 2.81Å; E320-T322 VanDerWaalsContact C-N 3.34Å; E320-T322 PolarHBondContact O-N 3.31Å; E320-N323 PolarHBondContact O-N 3.44Å; E320-L324 WeakPolarHBondContact O-CB 3.46Å; E320-L324 VanDerWaalsContact O-CG 3.24Å; E320-L324 WeakPolarHBondContact O-CG 3.37Å; E320-L324 PolarHBondContact O-N 3.44Å
321L95.9Very high96Very high26 Ų2689.3 Ų89.314%0.13643%0.43CS..Hα-helixtrans-62.2-41.3175.7-70.5171.9000112.1Q317 K318 A325 L333 K336 A337 L340Q317-L321 WeakPolarHBondContact O-CG 3.27Å; Q317-L321 PolarHBondContact O-N 3.48Å; K318-L321 PolarHBondContact O-N 3.11Å; L321-A325 VanDerWaalsContact O-CB 3.29Å; L321-A325 WeakPolarHBondContact O-CB 3.12Å; L321-A325 PolarHBondContact O-N 3.3Å; L321-L333 HydrophobicContact CD2-CD2 4.36Å; L321-K336 HydrophobicContact CD1-CD 4.41Å; L321-K336 HydrophobicContact CD1-CG 4.24Å; L321-K336 HydrophobicContact CD2-CD 4.36Å; L321-A337 HydrophobicContact CB-CB 3.73Å; L321-L340 HydrophobicContact CD1-CD1 3.88Å
322T95.5Very high95.9Very high70 Ų7098 Ų9843%0.42946%0.46SS..Hα-helixtrans-64.1-42.9176-57.80000111.9K318 S319 E320 A325 G326 A337K318-T322 PolarHBondContact O-N 2.74Å; K318-T322 PolarHBondContact O-OG1 3.29Å; S319-T322 PolarHBondContact O-N 3.32Å; E320-T322 VanDerWaalsContact C-N 3.34Å; E320-T322 PolarHBondContact O-N 3.31Å; T322-A325 PolarHBondContact O-N 2.81Å; T322-G326 PolarHBondContact O-N 3.3Å; T322-A337 WeakPolarHBondContact OG1-CB 3.46Å
323N95.6Very high95.8Very high106 Ų10692.1 Ų92.157%0.56744%0.441SS*.Hα-helixtrans-65.3-44.3178.4-70.9-19.8000111.4S319 E320 G326 L327S319-N323 WeakPolarHBondContact O-CB 3.24Å; S319-N323 PolarHBondContact O-N 3.42Å; S319-N323 PolarHBondContact O-ND2 3.48Å; E320-N323 PolarHBondContact O-N 3.44Å; N323-G326 PolarHBondContact O-N 3.34Å; N323-L327 PolarHBondContact O-N 3.24Å
324L96.7Very high95.7Very high75 Ų7590.5 Ų90.539%0.39343%0.434SS..Hα-helixtrans-63-41.8175.4-70.6171.4000111.5E320 G326 L327 Y328 L333E320-L324 WeakPolarHBondContact O-CB 3.46Å; E320-L324 VanDerWaalsContact O-CG 3.24Å; E320-L324 WeakPolarHBondContact O-CG 3.37Å; E320-L324 PolarHBondContact O-N 3.44Å; L324-G326 VanDerWaalsContact C-N 3.29Å; L324-G326 PolarHBondContact O-N 3.13Å; L324-L327 PolarHBondContact O-N 3.44Å; L324-Y328 HydrophobicContact CD2-CD2 4.48Å; L324-Y328 HydrophobicContact CD2-CE2 3.98Å; L324-Y328 WeakPolarHBondContact O-CD2 3.22Å; L324-Y328 PolarHBondContact O-N 3.38Å; L324-L333 HydrophobicContact CB-CD1 4.32Å
325A96.5Very high95.7Very high8 Ų894.8 Ų94.87%0.06645%0.454CS..Hα-helixtrans-59.8-40.5175.200000111.8L321 T322 R329 D330 L333 K334L321-A325 VanDerWaalsContact O-CB 3.29Å; L321-A325 WeakPolarHBondContact O-CB 3.12Å; L321-A325 PolarHBondContact O-N 3.3Å; T322-A325 PolarHBondContact O-N 2.81Å; A325-R329 WeakPolarHBondContact O-CA 3.34Å; A325-R329 PolarHBondContact O-N 3.16Å; A325-D330 PolarHBondContact O-N 3.19Å; A325-L333 HydrophobicContact CB-CB 3.72Å; A325-K334 HydrophobicContact CB-CB 3.9Å
326G94.3Very high95.7Very high58 Ų5894 Ų9460%0.59845%0.451SS*.Hα-helixtrans-66.4-40.717500000113.4T322 N323 L324T322-G326 PolarHBondContact O-N 3.3Å; N323-G326 PolarHBondContact O-N 3.34Å; L324-G326 VanDerWaalsContact C-N 3.29Å; L324-G326 PolarHBondContact O-N 3.13Å
327L96.1Very high95.6Very high127 Ų12790.5 Ų90.567%0.66544%0.435SS*.Hα-helixtrans-66-46.4180-175.767000112.2N323 L324N323-L327 PolarHBondContact O-N 3.24Å; L324-L327 PolarHBondContact O-N 3.44Å
328Y95.4Very high95.5Very high161 Ų16191.2 Ų91.263%0.63144%0.438SS*.Hα-helixtrans-93.4-4.8-176.4-66.4-72.6000114L324 D330L324-Y328 HydrophobicContact CD2-CD2 4.48Å; L324-Y328 HydrophobicContact CD2-CE2 3.98Å; L324-Y328 WeakPolarHBondContact O-CD2 3.22Å; L324-Y328 PolarHBondContact O-N 3.38Å; Y328-D330 PolarHBondContact O-N 3.34Å
329R94.7Very high95.5Very high232 Ų23292.2 Ų92.288%0.87545%0.453SS*.THydrogen-bonded Turntrans51.935.2-172.9-57.4-177.1178.8-175.8-0.3112.9A325A325-R329 WeakPolarHBondContact O-CA 3.34Å; A325-R329 PolarHBondContact O-N 3.16Å
330D96.1Very high95.5Very high63 Ų6391.7 Ų91.734%0.33745%0.446SS..  trans-93.5112.9-179.4-173.6-5.7000110.8A325 Y328 R332 L333 K334A325-D330 PolarHBondContact O-N 3.19Å; Y328-D330 PolarHBondContact O-N 3.34Å; D330-R332 VanDerWaalsContact C-N 3.25Å; D330-R332 PolarHBondContact O-N 2.84Å; D330-R332 WeakPolarHBondContact OD1-CB 3.3Å; D330-R332 PolarHBondContact OD1-N 3.15Å; D330-L333 HydrophobicContact CB-CB 4.38Å; D330-L333 HydrophobicContact CB-CD1 4.08Å; D330-L333 HydrophobicContact CB-CG 4.24Å; D330-L333 PolarHBondContact O-N 3.31Å; D330-K334 PolarHBondContact O-N 3.2Å
331E94.9Very high95.3Very high99 Ų9995.3 Ų95.346%0.46346%0.46SS..Hα-helixtrans-66.8-26.2-179.6-161.162.5-152.300112.3K334 Q335E331-K334 WeakPolarHBondContact O-CB 3.42Å; E331-K334 PolarHBondContact O-N 3.15Å; E331-K334 IonicContact OE1-NZ 3.96Å; E331-K334 PolarHBondContact OE1-NZ 3.43Å; E331-K334 IonicContact OE2-NZ 3.57Å; E331-Q335 WeakPolarHBondContact O-CG 3.38Å; E331-Q335 PolarHBondContact O-N 3.28Å
332R95.4Very high95.3Very high200 Ų20096.5 Ų96.576%0.75547%0.466SS*.Hα-helixtrans-68.1-41.4178.1-64.1179.1174.2177.2-0.5111.3D330 K334 Q335 K336D330-R332 VanDerWaalsContact C-N 3.25Å; D330-R332 PolarHBondContact O-N 2.84Å; D330-R332 WeakPolarHBondContact OD1-CB 3.3Å; D330-R332 PolarHBondContact OD1-N 3.15Å; R332-K334 VanDerWaalsContact C-N 3.31Å; R332-Q335 PolarHBondContact O-N 2.8Å; R332-K336 WeakPolarHBondContact O-CB 3.46Å; R332-K336 PolarHBondContact O-N 2.89Å
333L94.9Very high95.2Very high43 Ų4398.4 Ų98.423%0.22547%0.471CS..Hα-helixtrans-65.8-37.6175.6-71.4176.9000111.2L321 L324 A325 D330 K336 A337L321-L333 HydrophobicContact CD2-CD2 4.36Å; L324-L333 HydrophobicContact CB-CD1 4.32Å; A325-L333 HydrophobicContact CB-CB 3.72Å; D330-L333 HydrophobicContact CB-CB 4.38Å; D330-L333 HydrophobicContact CB-CD1 4.08Å; D330-L333 HydrophobicContact CB-CG 4.24Å; D330-L333 PolarHBondContact O-N 3.31Å; L333-K336 WeakPolarHBondContact O-CB 3.41Å; L333-K336 PolarHBondContact O-N 3.07Å; L333-A337 PolarHBondContact O-N 3.41Å
334K95.2Very high95.2Very high84 Ų8494.5 Ų94.537%0.36545%0.449SS..Hα-helixtrans-63.2-49.3175.3-174.3172.5155-135.40111.8A325 D330 E331 R332 K336 A337 E338A325-K334 HydrophobicContact CB-CB 3.9Å; D330-K334 PolarHBondContact O-N 3.2Å; E331-K334 WeakPolarHBondContact O-CB 3.42Å; E331-K334 PolarHBondContact O-N 3.15Å; E331-K334 IonicContact OE1-NZ 3.96Å; E331-K334 PolarHBondContact OE1-NZ 3.43Å; E331-K334 IonicContact OE2-NZ 3.57Å; R332-K334 VanDerWaalsContact C-N 3.31Å; K334-K336 VanDerWaalsContact C-N 3.28Å; K334-K336 PolarHBondContact O-N 3.49Å; K334-A337 WeakPolarHBondContact O-CB 3.37Å; K334-A337 PolarHBondContact O-N 3.2Å; K334-A337 VanDerWaalsContact O-N 3.1Å; K334-E338 WeakPolarHBondContact CE-OE1 3.47Å; K334-E338 WeakPolarHBondContact O-CG 3.36Å; K334-E338 PolarHBondContact O-N 3.19Å
335Q96.2Very high95.1Very high115 Ų11592 Ų9254%0.53744%0.438SS..Hα-helixtrans-60.5-37.6174.6-71.6176.9-1.600112.2E331 R332 E338 S339E331-Q335 WeakPolarHBondContact O-CG 3.38Å; E331-Q335 PolarHBondContact O-N 3.28Å; R332-Q335 PolarHBondContact O-N 2.8Å; Q335-E338 PolarHBondContact O-N 3.08Å; Q335-S339 WeakPolarHBondContact O-CB 3.34Å; Q335-S339 PolarHBondContact O-N 3.46Å; Q335-S339 PolarHBondContact O-OG 2.93Å
336K95.7Very high95Very high123 Ų12396.7 Ų96.754%0.53546%0.459SS..Hα-helixtrans-63.5-41.5173.7-170.3179.1178.9-179.20112.1L321 R332 L333 K334 S339 L340L321-K336 HydrophobicContact CD1-CD 4.41Å; L321-K336 HydrophobicContact CD1-CG 4.24Å; L321-K336 HydrophobicContact CD2-CD 4.36Å; R332-K336 WeakPolarHBondContact O-CB 3.46Å; R332-K336 PolarHBondContact O-N 2.89Å; L333-K336 WeakPolarHBondContact O-CB 3.41Å; L333-K336 PolarHBondContact O-N 3.07Å; K334-K336 VanDerWaalsContact C-N 3.28Å; K334-K336 PolarHBondContact O-N 3.49Å; K336-S339 WeakPolarHBondContact CA-OG 3.34Å; K336-S339 PolarHBondContact O-OG 3.19Å; K336-S339 VanDerWaalsContact O-OG 3.1Å; K336-L340 PolarHBondContact O-N 2.94Å
337A95.3Very high95Very high1 Ų198 Ų981%0.00845%0.448CS..Hα-helixtrans-66.1-39.8175.900000111.9K318 L321 T322 L333 K334 L340K318-A337 WeakPolarHBondContact CE-O 3.46Å; L321-A337 HydrophobicContact CB-CB 3.73Å; T322-A337 WeakPolarHBondContact OG1-CB 3.46Å; L333-A337 PolarHBondContact O-N 3.41Å; K334-A337 WeakPolarHBondContact O-CB 3.37Å; K334-A337 PolarHBondContact O-N 3.2Å; K334-A337 VanDerWaalsContact O-N 3.1Å; A337-L340 PolarHBondContact O-N 3.42Å
338E93.8Very high94.8Very high120 Ų12093.2 Ų93.256%0.56142%0.423SS*.Hα-helixtrans-68.4-41.5178.8-73.4174.1-175.600112.2K334 Q335 L340K334-E338 WeakPolarHBondContact CE-OE1 3.47Å; K334-E338 WeakPolarHBondContact O-CG 3.36Å; K334-E338 PolarHBondContact O-N 3.19Å; Q335-E338 PolarHBondContact O-N 3.08Å; E338-L340 VanDerWaalsContact C-N 3.26Å; E338-L340 PolarHBondContact O-N 2.89Å
339S95.5Very high94.6Very high82 Ų8288.8 Ų88.857%0.57342%0.416SS*.Hα-helixtrans-73.2-13.8177.956.70000114.2Q335 K336 K341Q335-S339 WeakPolarHBondContact O-CB 3.34Å; Q335-S339 PolarHBondContact O-N 3.46Å; Q335-S339 PolarHBondContact O-OG 2.93Å; K336-S339 WeakPolarHBondContact CA-OG 3.34Å; K336-S339 PolarHBondContact O-OG 3.19Å; K336-S339 VanDerWaalsContact O-OG 3.1Å; S339-K341 PolarHBondContact O-N 3.03Å
340L94.4Very high94.5Very high40 Ų4083.4 Ų83.421%0.20940%0.398CS..  trans-68107.2176.3-160.8150000109.9Q317 K318 L321 K336 A337 E338 L342Q317-L340 HydrophobicContact CB-CD1 4.45Å; K318-L340 HydrophobicContact CB-CD2 4.31Å; K318-L340 PolarHBondContact NZ-O 2.98Å; L321-L340 HydrophobicContact CD1-CD1 3.88Å; K336-L340 PolarHBondContact O-N 2.94Å; A337-L340 PolarHBondContact O-N 3.42Å; E338-L340 VanDerWaalsContact C-N 3.26Å; E338-L340 PolarHBondContact O-N 2.89Å; L340-L342 HydrophobicContact CD2-CD2 3.82Å
341K93.8Very high94.1Very high168 Ų16882 Ų8273%0.7339%0.39SS*.  trans-77.9133.1175.3-65.7-176.7-179.3179.30109.8S339 E343S339-K341 PolarHBondContact O-N 3.03Å; K341-E343 HydrophobicContact CB-CG 4.27Å; K341-E343 PolarHBondContact O-N 3.3Å
342L94.8Very high93.7Very high52 Ų5281 Ų8127%0.27239%0.388SS..  trans-96.767.4179.3-57172000109.4E314 K318 L340 N344 C345 E346E314-L342 HydrophobicContact CB-CD2 3.61Å; E314-L342 VanDerWaalsContact OE2-CA 3.27Å; E314-L342 WeakPolarHBondContact OE2-CA 3.5Å; K318-L342 HydrophobicContact CB-CD2 4.38Å; K318-L342 HydrophobicContact CD-CD1 4.25Å; K318-L342 HydrophobicContact CD-CD2 4.21Å; K318-L342 HydrophobicContact CD-CG 4.36Å; L340-L342 HydrophobicContact CD2-CD2 3.82Å; L342-N344 PolarHBondContact O-N 2.5Å; L342-C345 HydrophobicContact CB-CB 3.79Å; L342-C345 PolarHBondContact O-N 2.93Å; L342-E346 PolarHBondContact O-N 2.91Å
343E94.4Very high93Very high110 Ų11073.6 Ų73.651%0.51437%0.374SS..Hα-helixtrans-62.5-41.1-172.1-63.6-173.9177.300112.4E314 K341 C345 E346 K347E314-E343 PolarHBondContact OE2-N 3.42Å; K341-E343 HydrophobicContact CB-CG 4.27Å; K341-E343 PolarHBondContact O-N 3.3Å; E343-C345 VanDerWaalsContact C-N 3.34Å; E343-E346 PolarHBondContact O-N 2.65Å; E343-K347 WeakPolarHBondContact O-CG 3.31Å; E343-K347 PolarHBondContact O-N 2.77Å
344N94.8Very high92.2Very high23 Ų2377.4 Ų77.412%0.12339%0.394CS..Hα-helixtrans-73-30.7179.1-66.4-51.3000111.5I307 E314 L342 E346 K347 L348I307-N344 WeakPolarHBondContact CG2-O 3.41Å; E314-N344 WeakPolarHBondContact OE1-CB 3.29Å; E314-N344 PolarHBondContact OE1-N 3.45Å; E314-N344 PolarHBondContact OE1-ND2 3.1Å; E314-N344 PolarHBondContact OE2-N 2.82Å; E314-N344 VanDerWaalsContact OE2-N 3.09Å; L342-N344 PolarHBondContact O-N 2.5Å; N344-E346 VanDerWaalsContact C-N 3.35Å; N344-K347 PolarHBondContact O-N 2.82Å; N344-L348 WeakPolarHBondContact O-CB 3.33Å; N344-L348 PolarHBondContact O-N 3.28Å
345C94.9Very high91.1Very high24 Ų2483.9 Ų83.916%0.16242%0.416CS..Hα-helixtrans-66.7-35.5170.7-64.20000113.1C311 E314 L342 E343 L348 S349C311-C345 WeakPolarHBondContact CA-SG 3.36Å; C311-C345 HydrophobicContact CB-CB 3.95Å; C311-C345 WeakPolarHBondContact CB-SG 3.22Å; C311-C345 PolarHBondContact O-SG 3.25Å; C311-C345 VanDerWaalsContact O-SG 3.33Å; C311-C345 WeakPolarHBondContact SG-CA 3.43Å; C311-C345 WeakPolarHBondContact SG-CB 3.37Å; C311-C345 CovalentContact SG-SG 2.04Å; C311-C345 PolarHBondContact SG-SG 3.36Å; E314-C345 PolarHBondContact OE2-N 3.21Å; L342-C345 HydrophobicContact CB-CB 3.79Å; L342-C345 PolarHBondContact O-N 2.93Å; E343-C345 VanDerWaalsContact C-N 3.34Å; C345-L348 PolarHBondContact O-N 2.83Å; C345-S349 PolarHBondContact O-N 3.36Å
346E95.1Very high89.9Confident105 Ų10588.8 Ų88.849%0.49143%0.429SS..Hα-helixtrans-67.5-39.4173.9-164.4-166.4144.200111.4L342 E343 N344 L348 S349 K350L342-E346 PolarHBondContact O-N 2.91Å; E343-E346 PolarHBondContact O-N 2.65Å; N344-E346 VanDerWaalsContact C-N 3.35Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-S349 PolarHBondContact O-N 3.47Å; E346-S349 PolarHBondContact O-OG 3.32Å; E346-K350 WeakPolarHBondContact O-CG 3.4Å; E346-K350 PolarHBondContact O-N 2.74Å; E346-K350 VanDerWaalsContact O-N 3.13Å; E346-K350 VanDerWaalsContact OE1-CE 3.24Å; E346-K350 WeakPolarHBondContact OE1-CE 3.45Å; E346-K350 IonicContact OE1-NZ 2.71Å; E346-K350 PolarHBondContact OE1-NZ 3.25Å
347K92.7Very high88Confident87 Ų8786.5 Ų86.538%0.37844%0.441SS..Hα-helixtrans-61.8-43.2171.9-68.7171.8-170166.40111.2I307 E343 N344 S349 K350 L351I307-K347 HydrophobicContact CD1-CD 4.2Å; I307-K347 HydrophobicContact CG2-CB 4.33Å; E343-K347 WeakPolarHBondContact O-CG 3.31Å; E343-K347 PolarHBondContact O-N 2.77Å; N344-K347 PolarHBondContact O-N 2.82Å; K347-S349 PolarHBondContact O-N 3.29Å; K347-K350 PolarHBondContact O-N 3.29Å; K347-L351 WeakPolarHBondContact O-CG 3.38Å; K347-L351 PolarHBondContact O-N 2.96Å
348L93.6Very high85.7Confident26 Ų2692.9 Ų92.914%0.13651%0.507CS..Hα-helixtrans-60.9-43.6177.8-173.360.2000112I307 Q308 C311 N344 C345 E346 K350 L351 I352I307-L348 HydrophobicContact CG2-CB 3.72Å; I307-L348 HydrophobicContact CG2-CD1 4.12Å; I307-L348 HydrophobicContact CG2-CG 4.46Å; Q308-L348 HydrophobicContact CG-CD1 3.57Å; Q308-L348 HydrophobicContact CG-CD2 4.08Å; C311-L348 HydrophobicContact CB-CD2 4.19Å; N344-L348 WeakPolarHBondContact O-CB 3.33Å; N344-L348 PolarHBondContact O-N 3.28Å; C345-L348 PolarHBondContact O-N 2.83Å; E346-L348 VanDerWaalsContact C-N 3.34Å; L348-K350 VanDerWaalsContact C-N 3.34Å; L348-K350 PolarHBondContact O-N 2.99Å; L348-L351 PolarHBondContact O-N 3.1Å; L348-I352 HydrophobicContact CD1-CD1 4.25Å; L348-I352 HydrophobicContact CD1-CG1 4.47Å; L348-I352 HydrophobicContact CG-CD1 3.92Å; L348-I352 WeakPolarHBondContact O-CG1 3.4Å; L348-I352 PolarHBondContact O-N 3.27Å
349S91.4Very high85.3Confident68 Ų6891.5 Ų91.548%0.47650%0.504SS..Hα-helixtrans-65.5-38179.568.50000111.9C345 E346 K347 I352 G353C345-S349 PolarHBondContact O-N 3.36Å; E346-S349 PolarHBondContact O-N 3.47Å; E346-S349 PolarHBondContact O-OG 3.32Å; K347-S349 PolarHBondContact O-N 3.29Å; S349-I352 PolarHBondContact O-N 2.73Å; S349-G353 PolarHBondContact O-N 3.39Å
350K91.1Very high84.7Confident119 Ų11992 Ų9252%0.51750%0.5SS..Hα-helixtrans-60.3-46.5171.9-71.4172.6-174.1168.40111.6E346 K347 L348 I352 G353 L354E346-K350 WeakPolarHBondContact O-CG 3.4Å; E346-K350 PolarHBondContact O-N 2.74Å; E346-K350 VanDerWaalsContact O-N 3.13Å; E346-K350 VanDerWaalsContact OE1-CE 3.24Å; E346-K350 WeakPolarHBondContact OE1-CE 3.45Å; E346-K350 IonicContact OE1-NZ 2.71Å; E346-K350 PolarHBondContact OE1-NZ 3.25Å; K347-K350 PolarHBondContact O-N 3.29Å; L348-K350 VanDerWaalsContact C-N 3.34Å; L348-K350 PolarHBondContact O-N 2.99Å; K350-I352 PolarHBondContact O-N 3.05Å; K350-G353 PolarHBondContact O-N 3.14Å; K350-L354 WeakPolarHBondContact O-CG 3.41Å; K350-L354 PolarHBondContact O-N 3.22Å
351L87.7Confident84.2Confident32 Ų3294.9 Ų94.917%0.16852%0.516CS..Hα-helixtrans-62.8-42177.9-69.2171.6000112.6L273 Y303 I307 K347 L348 G353 L354 R355L273-L351 HydrophobicContact CD2-CD2 4.33Å; Y303-L351 HydrophobicContact CD1-CD1 4.44Å; Y303-L351 HydrophobicContact CE1-CD1 4.07Å; I307-L351 HydrophobicContact CG2-CD1 4.48Å; K347-L351 WeakPolarHBondContact O-CG 3.38Å; K347-L351 PolarHBondContact O-N 2.96Å; L348-L351 PolarHBondContact O-N 3.1Å; L351-G353 VanDerWaalsContact C-N 3.33Å; L351-L354 PolarHBondContact O-N 2.95Å; L351-R355 PolarHBondContact O-N 3.27Å
352I86.3Confident83.6Confident79 Ų7990.6 Ų90.641%0.40550%0.504SS..Hα-helixtrans-65.9-38.4175.6-66.7167.8000110.9L348 S349 K350 R355 R356L348-I352 HydrophobicContact CD1-CD1 4.25Å; L348-I352 HydrophobicContact CD1-CG1 4.47Å; L348-I352 HydrophobicContact CG-CD1 3.92Å; L348-I352 WeakPolarHBondContact O-CG1 3.4Å; L348-I352 PolarHBondContact O-N 3.27Å; S349-I352 PolarHBondContact O-N 2.73Å; K350-I352 PolarHBondContact O-N 3.05Å; I352-R355 PolarHBondContact O-N 3.34Å; I352-R356 PolarHBondContact O-N 2.92Å
353G81.1Confident82.9Confident45 Ų4593 Ų9346%0.46452%0.518SS..Hα-helixtrans-61.2-46.8176.600000112.5S349 K350 L351 R355 R356 G357S349-G353 PolarHBondContact O-N 3.39Å; K350-G353 PolarHBondContact O-N 3.14Å; L351-G353 VanDerWaalsContact C-N 3.33Å; G353-R355 VanDerWaalsContact C-N 3.26Å; G353-R355 PolarHBondContact O-N 2.65Å; G353-R356 PolarHBondContact O-N 3.02Å; G353-G357 PolarHBondContact O-N 3.18Å
354L78.2Confident82.2Confident122 Ų12291.9 Ų91.964%0.63952%0.518SS*.Hα-helixtrans-59.3-36.8176.1-70.3169.2000112.3K350 L351K350-L354 WeakPolarHBondContact O-CG 3.41Å; K350-L354 PolarHBondContact O-N 3.22Å; L351-L354 PolarHBondContact O-N 2.95Å
355R71.4Confident81.3Confident220 Ų22096.8 Ų96.883%0.8355%0.547SS*.Hα-helixtrans-74.4-22.9179.6-162.1178.8-170.1-176.84.5114.3L351 I352 G353L351-R355 PolarHBondContact O-N 3.27Å; I352-R355 PolarHBondContact O-N 3.34Å; G353-R355 VanDerWaalsContact C-N 3.26Å; G353-R355 PolarHBondContact O-N 2.65Å
356R71.8Confident80.2Confident218 Ų218102.4 Ų102.482%0.82358%0.576SS**Hα-helixtrans-89.6-18.1179.5-94.8-176.3170.8142.6-2.6113.9I352 G353I352-R356 PolarHBondContact O-N 2.92Å; G353-R356 PolarHBondContact O-N 3.02Å
357G56.5Low79Confident76 Ų76102.2 Ų102.278%0.78458%0.583SS**  trans-1057.9-177.500000115.1G353G353-G357 PolarHBondContact O-N 3.18Å
358G46.3Very low77.8Confident134 Ų134103.5 Ų103.5100%1.38160%0.602SS**  trans-106.10179.500000113.3

Retrieved 358 of 358 residues in 205.8 ms (Link to these results)