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Nuclear factor interleukin-3-regulated protein

Acts as a transcriptional regulator that recognizes and binds to the sequence 5'-[GA]TTA[CT]GTAA[CT]-3', a sequence present in many cellular and viral promoters. Represses transcription from promoters with activating transcription factor (ATF) sites. Represses promoter activity in osteoblasts. Represses transcriptional activity of PER1. Represses transcriptional activity of PER2 via the B-site on the promoter. Activates transcription from the interleukin-3 promoter in T-cells. Competes for the same consensus-binding site with PAR DNA-binding factors (DBP, HLF and TEF). Component of the circadian clock that acts as a negative regulator for the circadian expression of PER2 oscillation in the cell-autonomous core clock. Protects pro-B cells from programmed cell death.

AlphaFold DB , UniProt , Accession A0A096N905, Species PAPAN (Papio anubis, Olive baboon), Gene NFIL3, Length 462 aa.

Structure Viewer
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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
1M44Very low42Very low228 Ų228184.8 Ų184.8100%1.12387%0.871SS**  0168.60-84.7179.267.800109.9
2Q41.6Very low41.3Very low173 Ų173180.6 Ų180.681%0.80885%0.851SS**  trans74.974.6168.8-69.4168.2-21.200118.2
3L40.4Very low40.9Very low170 Ų170179.5 Ų179.589%0.8985%0.845SS**  13.1114.7121-63.4163.8000116.6
4R50Low40.3Very low249 Ų249173 Ų17394%0.9484%0.837SS**PPolyproline II helixtrans-88.3124.2154.3-82.1-172.7174133.50.8109.7
5K45.3Very low39.6Very low198 Ų198169.6 Ų169.686%0.86184%0.838SS**PPolyproline II helixtrans-68.7147.5-179.2-70.3176.1174.1177.10111.4
6M39.5Very low39.4Very low182 Ų182168.7 Ų168.790%0.89784%0.836SS**PPolyproline II helixtrans-65.5148.1160.1-63.1-176.471.600110.3
7Q47Very low39.1Very low191 Ų191167.1 Ų167.189%0.89383%0.832SS**  trans-113134.1160.8-85.8-176.3-21.300110.7
8T37.8Very low38.7Very low135 Ų135162.9 Ų162.983%0.82883%0.828SS**  trans-88139.417850.30000111
9I39.5Very low38.2Very low175 Ų175160.8 Ų160.890%0.89783%0.829SS**  trans-129.1130.2163.6-58178.5000108.1
10K41Very low37.9Very low180 Ų180158.2 Ų158.278%0.78383%0.826SS**  trans-147.3125.4-174169.9-177.3173.3-176.50110.8
11K35.7Very low37.5Very low152 Ų152158 Ų15866%0.66183%0.826SS**  trans58.1156.9164.7-86.5-167.8146.3-155.10116.7
12E33.8Very low37.1Very low134 Ų134152.6 Ų152.663%0.62681%0.805SS**  cis-141.91504-116.1158.9167.200107.7
13Q36.3Very low36.8Very low166 Ų166151.1 Ų151.178%0.77680%0.803SS**  61.6131.983.4-140.4157.4-8.300112.6
14A31.9Very low36.6Very low89 Ų89152.6 Ų152.674%0.73680%0.802SS**  cis-158.9167.219.500000113.4
15S29.7Very low35.9Very low122 Ų122147.9 Ų147.985%0.85379%0.793SS**  -171.9149.8127.355.80000112.6
16L37Very low35.7Very low155 Ų155146 Ų14681%0.81279%0.789SS**  trans-89.4179.3170.9-63.4126000109.3
17D34.5Very low35.4Very low142 Ų142142.8 Ų142.876%0.75978%0.779SS**  cis-166.8-176.621.8-141.2-32000113.1
18A31.5Very low34.7Very low92 Ų92140.6 Ų140.676%0.7677%0.773SS**  trans83.8139.2164.700000118.3
19S28.8Very low34.4Very low122 Ų122141.5 Ų141.585%0.85377%0.773SS**  cis-148.5165.911.756.20000113.7
20S32.9Very low34.3Very low108 Ų108139 Ų13976%0.75577%0.77SS**  trans-113151.9-173.853.70000113.7
21N29.4Very low33.9Very low156 Ų156135.4 Ų135.483%0.83478%0.775SS**  -167166.9124.7-132.6-61.1000112.9
22V34.8Very low34Very low113 Ų113135.4 Ų135.469%0.68578%0.781SS**  trans-131168.6-168.9-170.40000110.5
23D35.6Very low34Very low142 Ų142135.9 Ų135.976%0.75979%0.793SS**  trans80.6113.3162.1-68.9-43.7000122.3
24K37.4Very low34.1Very low202 Ų202135.7 Ų135.788%0.87879%0.792SS**  -172.9110.2123.6-96.8159.7-174.1176.20107.4
25M34.6Very low34.3Very low150 Ų150138.4 Ų138.474%0.73980%0.799SS**  102.3134.651.6179.9-172.1161.300111.4
26M40.9Very low34.4Very low158 Ų158137.8 Ų137.878%0.77880%0.795SS**  trans71.5152.8177.7-63.9-145.2162.900116.5
27V34Very low34.6Very low114 Ų114138.8 Ų138.869%0.69180%0.796SS**  cis-170.4148-8.7132.10000104.9
28L32.6Very low34.5Very low145 Ų145138.6 Ų138.676%0.75979%0.794SS**  cis-153.4172.40.3-126.7175.3000108.7
29N31.5Very low34.5Very low155 Ų155138 Ų13883%0.82979%0.785SS**  trans-164.6121155.8-112.4-18.7000111.3
30S37.2Very low34.5Very low122 Ų122138.4 Ų138.485%0.85378%0.782SS**  trans177.5124.1157.9-84.90000112.3
31A32.3Very low34.6Very low105 Ų105140 Ų14087%0.86879%0.788SS**  trans-164.2111.4141.700000109.1
32L37.9Very low34.8Very low151 Ų151136 Ų13679%0.79178%0.783SS**  trans-88.8158.2168.3-84162.9000110
33T32.3Very low35.2Very low144 Ų144139.7 Ų139.788%0.88379%0.793SS**  trans-148.6123145.7-44.20000108.7
34E39Very low35.2Very low163 Ų163141.1 Ų141.176%0.76280%0.795SS**  trans-112.8-170.8174.3-65-162.2158.400110.9
35V36.7Very low35.6Very low145 Ų145138.3 Ų138.388%0.87979%0.789SS**  trans110.8127.5179.6170.90000111
36S32.5Very low35.8Very low109 Ų109137.5 Ų137.576%0.76279%0.786SS**  cis-161.5173.8-5.91760000110.4
37E39.8Very low35.6Very low177 Ų177137.2 Ų137.283%0.82779%0.787SS**  trans-79.5156.3-168.2-43-176.715000115.6
38D33.3Very low35.8Very low137 Ų137137 Ų13773%0.73379%0.791SS**  163.1143.997.1-164.221.1000115.5
39S31.3Very low36Very low81 Ų81139.2 Ų139.257%0.56680%0.797SS**  trans49.8137.7147.4-77.20000127.8
40T29.2Very low36.2Very low129 Ų129135.4 Ų135.479%0.79180%0.795SS**  trans96.5118.1142.261.60000124.2
41T34.9Very low36.2Very low143 Ų143135.6 Ų135.688%0.87780%0.796SS**  trans22.8132.9142.948.80000124.8
42G32.8Very low36.8Very low70 Ų70136.6 Ų136.672%0.72279%0.791SS**  trans151.8117.4159.300000109.7
43E43Very low37Very low192 Ų192132.3 Ų132.390%0.89778%0.783SS**  63.1143.668-74-68.9168.600114.9
44E36Very low38Very low171 Ų171134.5 Ų134.580%0.79978%0.78SS**  trans63.7125.3-165.9-76-169.1131.900116
45L45.3Very low38.2Very low144 Ų144133.1 Ų133.175%0.75478%0.778SS**  cis65.990.724.3-140.9177000113
46L39.1Very low39Very low132 Ų132136.5 Ų136.569%0.69178%0.781SS**  173.5147.1124.7-93.1173.7000116.3
47L37.4Very low40.1Very low153 Ų153135.8 Ų135.880%0.80178%0.776SS**  trans76.5111.6148.3-65.8166.1000123.3
48S38.6Very low40.7Very low110 Ų110132.4 Ų132.477%0.76977%0.772SS**  trans-55.8130.4149.71550000114.1
49E35.4Very low42Very low191 Ų191130.9 Ų130.989%0.89378%0.779SS**  177.3147.6123.4-97.8-168.4162.300107.5
50G36.1Very low43.4Very low75 Ų75132 Ų13277%0.77379%0.785SS**  cis179145-8.400000107.3
51S36.9Very low45.3Very low126 Ų126136.7 Ų136.788%0.88179%0.788SS**  trans-149.4129.2173.8-167.10000113.7G53S51-G53 PolarHBondContact O-N 3.29Å
52V46.4Very low47.4Very low126 Ų126141.2 Ų141.276%0.76479%0.789SS**  trans-85.5101.4-174.7174.70000110.3K54V52-K54 HydrophobicContact CG1-CG 4.2Å
53G41.7Very low49.5Very low60 Ų60146.5 Ų146.562%0.61979%0.792SS**  trans-100.980.5170.800000112.8S51 N55S51-G53 PolarHBondContact O-N 3.29Å; G53-N55 PolarHBondContact O-N 3.2Å; G53-N55 PolarHBondContact O-OD1 3.1Å
54K51.8Low51.6Low191 Ų191149 Ų14983%0.8379%0.793SS**  trans-74.970.8173.4-84.1-178.3178.3168.70111.5V52 K56V52-K54 HydrophobicContact CG1-CG 4.2Å; K54-K56 PolarHBondContact O-N 3Å
55N43.4Very low53.9Low133 Ų133149.5 Ų149.571%0.71180%0.796SS**  trans-9090-179.4-61.923000109.4G53 S57G53-N55 PolarHBondContact O-N 3.2Å; G53-N55 PolarHBondContact O-OD1 3.1Å; N55-S57 PolarHBondContact O-N 3.15Å
56K55Low55.7Low217 Ų217149.6 Ų149.694%0.94379%0.791SS**  trans-71.164.9165.6-72.7-178178.1176.40110.1K54K54-K56 PolarHBondContact O-N 3Å
57S54.1Low57.9Low94 Ų94146.8 Ų146.866%0.65778%0.775SS**  trans-92.8135.8170.554.20000110.3N55N55-S57 PolarHBondContact O-N 3.15Å
58S54Low60.5Low106 Ų106142.4 Ų142.474%0.74176%0.756SS**  trans-24.4139.7171.153.10000115.5C60S58-C60 PolarHBondContact O-N 3.09Å
59A58.8Low62.6Low105 Ų105142.3 Ų142.387%0.86875%0.747SS**  trans-60.269.5179.700000114.9R61A59-R61 PolarHBondContact O-N 3Å; A59-R61 VanDerWaalsContact O-N 3.11Å
60C62.1Low65.2Low104 Ų104141.3 Ų141.370%0.70374%0.742SS**  trans-71.2102.1164.2-173.70000107.1S58 R62S58-C60 PolarHBondContact O-N 3.09Å; C60-R62 PolarHBondContact O-N 3.16Å; C60-R62 VanDerWaalsContact O-N 3.1Å
61R68.6Low67.7Low227 Ų227145 Ų14586%0.85774%0.737SS**  trans-53.2121.2174.1-63.6-178.1-179.7-149.6-2.6107.8A59 K63A59-R61 PolarHBondContact O-N 3Å; A59-R61 VanDerWaalsContact O-N 3.11Å; R61-K63 PolarHBondContact O-N 3.4Å; R61-K63 VanDerWaalsContact O-N 3.11Å
62R78.9Confident70.4Confident239 Ų239140.8 Ų140.890%0.90270%0.703SS**  trans-44.9123.3175-78.5-173-76146.5-6.8108.4C60 R64C60-R62 PolarHBondContact O-N 3.16Å; C60-R62 VanDerWaalsContact O-N 3.1Å; R62-R64 PolarHBondContact O-N 2.98Å
63K77.7Confident72.8Confident180 Ų180138.8 Ų138.878%0.78369%0.688SS**  trans-57.2132.4178.4-71.1-74.9-175.3165.60107.1R61 E65R61-K63 PolarHBondContact O-N 3.4Å; R61-K63 VanDerWaalsContact O-N 3.11Å; K63-E65 PolarHBondContact O-N 3.43Å
64R86.4Confident75.3Confident245 Ų245139.9 Ų139.993%0.92569%0.691SS**  trans-81.890.6-175-164.6177.7-170-174.92107.3R62 F66R62-R64 PolarHBondContact O-N 2.98Å; R64-F66 PolarHBondContact O-N 2.76Å
65E85.3Confident77.4Confident181 Ų181136.6 Ų136.685%0.84668%0.68SS**PPolyproline II helixtrans-59.6127173.8-72.2167.9-151.600109K63K63-E65 PolarHBondContact O-N 3.43Å
66F82.8Confident79.8Confident147 Ų147132.1 Ų132.165%0.64565%0.654SS**PPolyproline II helixtrans-83.6139.5173.1-164.2-102.6000107.7R64 P68 K72R64-F66 PolarHBondContact O-N 2.76Å; F66-P68 VanDerWaalsContact O-CD 3.3Å; F66-P68 WeakPolarHBondContact O-CD 3.38Å; F66-K72 VanDerWaalsContact CE1-NZ 3.33Å
67I84.8Confident81.8Confident73 Ų73128.1 Ų128.137%0.37463%0.633SS.*PPolyproline II helixtrans-71120175.8-71168.3000107.1K71 K72 Y76I67-K71 HydrophobicContact CG2-CB 3.79Å; I67-K72 HydrophobicContact CG2-CG 4.06Å; I67-K72 WeakPolarHBondContact O-CE 3.39Å; I67-Y76 HydrophobicContact CB-CE2 4.38Å; I67-Y76 HydrophobicContact CD1-CD2 3.55Å; I67-Y76 HydrophobicContact CD1-CE2 3.63Å
68P91.2Very high83.8Confident60 Ų60127.1 Ų127.139%0.3962%0.618SS.*PPolyproline II helixtrans-54.8150176.8-2534.9000111.3F66 E70 K71 K72F66-P68 VanDerWaalsContact O-CD 3.3Å; F66-P68 WeakPolarHBondContact O-CD 3.38Å; P68-E70 WeakPolarHBondContact CB-OE2 3.46Å; P68-E70 PolarHBondContact O-N 3.15Å; P68-K71 HydrophobicContact CG-CD 4.47Å; P68-K71 WeakPolarHBondContact O-CA 3.29Å; P68-K71 PolarHBondContact O-N 3.11Å; P68-K72 PolarHBondContact O-N 3.19Å
69D84.5Confident85.9Confident109 Ų109128.6 Ų128.658%0.58361%0.611SS**G310 helixtrans-62.2-31.9-171.8-71.5-32.5000112.2K71 K72D69-K71 PolarHBondContact O-N 3.48Å; D69-K72 PolarHBondContact O-N 2.85Å; D69-K72 WeakPolarHBondContact OD1-CD 3.48Å; D69-K72 WeakPolarHBondContact OD1-CE 3.44Å; D69-K72 IonicContact OD1-NZ 2.7Å; D69-K72 PolarHBondContact OD1-NZ 2.93Å
70E89.9Confident87.7Confident170 Ų170128.3 Ų128.379%0.79459%0.587SS**G310 helixtrans-65.3-17.4175.4-48.674.8-162.500112.9P68P68-E70 WeakPolarHBondContact CB-OE2 3.46Å; P68-E70 PolarHBondContact O-N 3.15Å
71K88.1Confident89.4Confident151 Ų151130.4 Ų130.466%0.65758%0.58SS**G310 helixtrans-107.97.1-179.6-62.9-176.3-177.91780113I67 P68 D69 D73I67-K71 HydrophobicContact CG2-CB 3.79Å; P68-K71 HydrophobicContact CG-CD 4.47Å; P68-K71 WeakPolarHBondContact O-CA 3.29Å; P68-K71 PolarHBondContact O-N 3.11Å; D69-K71 PolarHBondContact O-N 3.48Å; K71-D73 VanDerWaalsContact C-N 3.32Å; K71-D73 PolarHBondContact O-N 2.87Å; K71-D73 VanDerWaalsContact O-N 3.1Å
72K94.1Very high90.8Very high38 Ų38125.1 Ų125.117%0.16556%0.564CS.*  trans-84.972.8176.6-67.8-177.5178.9170.20111.4F66 I67 P68 D69 Y76 W77F66-K72 VanDerWaalsContact CE1-NZ 3.33Å; I67-K72 HydrophobicContact CG2-CG 4.06Å; I67-K72 WeakPolarHBondContact O-CE 3.39Å; P68-K72 PolarHBondContact O-N 3.19Å; D69-K72 PolarHBondContact O-N 2.85Å; D69-K72 WeakPolarHBondContact OD1-CD 3.48Å; D69-K72 WeakPolarHBondContact OD1-CE 3.44Å; D69-K72 IonicContact OD1-NZ 2.7Å; D69-K72 PolarHBondContact OD1-NZ 2.93Å; K72-Y76 HydrophobicContact CB-CD1 3.74Å; K72-Y76 HydrophobicContact CB-CE1 4.13Å; K72-Y76 HydrophobicContact CB-CG 4.5Å; K72-Y76 HydrophobicContact CD-CD1 4.28Å; K72-Y76 HydrophobicContact CD-CE1 3.81Å; K72-Y76 HydrophobicContact CG-CD1 3.73Å; K72-Y76 HydrophobicContact CG-CE1 3.68Å; K72-Y76 HydrophobicContact CG-CG 4.46Å; K72-W77 HydrophobicContact CB-CZ2 4.25Å; K72-W77 HydrophobicContact CD-CH2 4.3Å; K72-W77 HydrophobicContact CD-CZ2 3.75Å; K72-W77 PolarHBondContact O-NE1 3.16Å; K72-W77 VanDerWaalsContact O-NE1 3.15Å
73D95.3Very high91.8Very high84 Ų84118.3 Ų118.345%0.44955%0.545SS..  trans-69172.4176.873.9-19.1000113.6K71 M75 Y76 W77K71-D73 VanDerWaalsContact C-N 3.32Å; K71-D73 PolarHBondContact O-N 2.87Å; K71-D73 VanDerWaalsContact O-N 3.1Å; D73-M75 PolarHBondContact O-N 3.2Å; D73-M75 WeakPolarHBondContact OD2-CB 3.29Å; D73-Y76 WeakPolarHBondContact O-CB 3.39Å; D73-Y76 PolarHBondContact O-N 3.3Å; D73-Y76 VanDerWaalsContact O-N 3.14Å; D73-Y76 WeakPolarHBondContact OD1-CA 3.48Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.43Å; D73-Y76 PolarHBondContact OD1-N 3.33Å; D73-W77 PolarHBondContact O-N 3.02Å; D73-W77 VanDerWaalsContact O-N 3.11Å
74A95.1Very high92.8Very high84 Ų84113.7 Ų113.769%0.69453%0.529SS*.Hα-helixtrans-58.8-34.3177.400000112.5W77 E78A74-W77 PolarHBondContact O-N 3.28Å; A74-E78 PolarHBondContact O-N 3.08Å
75M95Very high93.3Very high122 Ų122106.7 Ų106.760%0.60151%0.507SS*.Hα-helixtrans-68-37.6176.7-61.1-169.474.600112.3D73 K79D73-M75 PolarHBondContact O-N 3.2Å; D73-M75 WeakPolarHBondContact OD2-CB 3.29Å; M75-K79 WeakPolarHBondContact O-CB 3.43Å; M75-K79 VanDerWaalsContact O-CG 3.24Å; M75-K79 WeakPolarHBondContact O-CG 3.27Å; M75-K79 PolarHBondContact O-N 3.27Å
76Y95.1Very high94Very high38 Ų38100.5 Ų100.515%0.14949%0.486CS..Hα-helixtrans-61.3-49.3172.5168.3-96.8000110.8I67 K72 D73 E78 K79 R80I67-Y76 HydrophobicContact CB-CE2 4.38Å; I67-Y76 HydrophobicContact CD1-CD2 3.55Å; I67-Y76 HydrophobicContact CD1-CE2 3.63Å; K72-Y76 HydrophobicContact CB-CD1 3.74Å; K72-Y76 HydrophobicContact CB-CE1 4.13Å; K72-Y76 HydrophobicContact CB-CG 4.5Å; K72-Y76 HydrophobicContact CD-CD1 4.28Å; K72-Y76 HydrophobicContact CD-CE1 3.81Å; K72-Y76 HydrophobicContact CG-CD1 3.73Å; K72-Y76 HydrophobicContact CG-CE1 3.68Å; K72-Y76 HydrophobicContact CG-CG 4.46Å; D73-Y76 WeakPolarHBondContact O-CB 3.39Å; D73-Y76 PolarHBondContact O-N 3.3Å; D73-Y76 VanDerWaalsContact O-N 3.14Å; D73-Y76 WeakPolarHBondContact OD1-CA 3.48Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.43Å; D73-Y76 PolarHBondContact OD1-N 3.33Å; Y76-E78 VanDerWaalsContact C-N 3.32Å; Y76-E78 PolarHBondContact O-N 2.95Å; Y76-K79 PolarHBondContact O-N 3.16Å; Y76-R80 VanDerWaalsContact O-CB 3.32Å; Y76-R80 WeakPolarHBondContact O-CB 3.47Å; Y76-R80 PolarHBondContact O-N 3.2Å
77W95.6Very high94.7Very high134 Ų13495.2 Ų95.251%0.50847%0.47SS..Hα-helixtrans-62.2-39.4179.6-72.7113.7000112.4K72 D73 A74 R80 R81K72-W77 HydrophobicContact CB-CZ2 4.25Å; K72-W77 HydrophobicContact CD-CH2 4.3Å; K72-W77 HydrophobicContact CD-CZ2 3.75Å; K72-W77 PolarHBondContact O-NE1 3.16Å; K72-W77 VanDerWaalsContact O-NE1 3.15Å; D73-W77 PolarHBondContact O-N 3.02Å; D73-W77 VanDerWaalsContact O-N 3.11Å; A74-W77 PolarHBondContact O-N 3.28Å; W77-R80 WeakPolarHBondContact O-CB 3.27Å; W77-R80 PolarHBondContact O-N 3.45Å; W77-R81 WeakPolarHBondContact O-CB 3.5Å; W77-R81 PolarHBondContact O-N 2.82Å
78E97.3Very high95.4Very high73 Ų7399.4 Ų99.434%0.34149%0.486SS..Hα-helixtrans-65.1-45.1173.1179137.5-78.300112.8A74 Y76 R80 R81 K82A74-E78 PolarHBondContact O-N 3.08Å; Y76-E78 VanDerWaalsContact C-N 3.32Å; Y76-E78 PolarHBondContact O-N 2.95Å; E78-R80 VanDerWaalsContact C-N 3.27Å; E78-R80 PolarHBondContact O-N 3.02Å; E78-R81 PolarHBondContact O-N 3Å; E78-R81 IonicContact OE1-CZ 3.71Å; E78-R81 IonicContact OE1-NH1 2.9Å; E78-R81 PolarHBondContact OE1-NH1 3.02Å; E78-R81 IonicContact OE1-NH2 3.24Å; E78-R81 PolarHBondContact OE1-NH2 3.33Å; E78-K82 VanDerWaalsContact CD-NZ 3.29Å; E78-K82 HydrophobicContact CG-CD 3.8Å; E78-K82 HydrophobicContact CG-CG 4.43Å; E78-K82 WeakPolarHBondContact O-CB 3.15Å; E78-K82 WeakPolarHBondContact O-CG 3.41Å; E78-K82 PolarHBondContact O-N 3.42Å; E78-K82 IonicContact OE2-NZ 2.76Å; E78-K82 PolarHBondContact OE2-NZ 3.27Å
79K96.8Very high95.7Very high137 Ų137103.3 Ų103.360%0.59649%0.493SS*.Hα-helixtrans-59-39.9173.6-74.1166.7-176.8169.50111.3M75 Y76 N83M75-K79 WeakPolarHBondContact O-CB 3.43Å; M75-K79 VanDerWaalsContact O-CG 3.24Å; M75-K79 WeakPolarHBondContact O-CG 3.27Å; M75-K79 PolarHBondContact O-N 3.27Å; Y76-K79 PolarHBondContact O-N 3.16Å; K79-N83 VanDerWaalsContact O-CB 3.31Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-N 3.19Å
80R97.4Very high96.4Very high99 Ų99101.3 Ų101.337%0.37449%0.487SS..Hα-helixtrans-64.9-44.5177.3-17075.4-172.986.311.6111.4Y76 W77 E78 N83 N84Y76-R80 VanDerWaalsContact O-CB 3.32Å; Y76-R80 WeakPolarHBondContact O-CB 3.47Å; Y76-R80 PolarHBondContact O-N 3.2Å; W77-R80 WeakPolarHBondContact O-CB 3.27Å; W77-R80 PolarHBondContact O-N 3.45Å; E78-R80 VanDerWaalsContact C-N 3.27Å; E78-R80 PolarHBondContact O-N 3.02Å; R80-N83 PolarHBondContact O-N 2.82Å; R80-N84 PolarHBondContact NH1-OD1 3.48Å; R80-N84 PolarHBondContact O-N 3.04Å
81R98.3Very high96.8Very high148 Ų148101.3 Ų101.356%0.55848%0.48SS*.Hα-helixtrans-59.7-53.3175.2-155.8-163.9-44.3123.57.3110.9W77 E78 N83 N84 E85W77-R81 WeakPolarHBondContact O-CB 3.5Å; W77-R81 PolarHBondContact O-N 2.82Å; E78-R81 PolarHBondContact O-N 3Å; E78-R81 IonicContact OE1-CZ 3.71Å; E78-R81 IonicContact OE1-NH1 2.9Å; E78-R81 PolarHBondContact OE1-NH1 3.02Å; E78-R81 IonicContact OE1-NH2 3.24Å; E78-R81 PolarHBondContact OE1-NH2 3.33Å; R81-N83 VanDerWaalsContact C-N 3.33Å; R81-N83 PolarHBondContact O-N 3.34Å; R81-N84 PolarHBondContact O-N 3.29Å; R81-E85 PolarHBondContact O-N 3.42Å
82K98.4Very high97.3Very high116 Ų11698.5 Ų98.550%0.50447%0.469SS..Hα-helixtrans-59-39.7177.9-73.2169.3174.7166.70112E78 A86E78-K82 VanDerWaalsContact CD-NZ 3.29Å; E78-K82 HydrophobicContact CG-CD 3.8Å; E78-K82 HydrophobicContact CG-CG 4.43Å; E78-K82 WeakPolarHBondContact O-CB 3.15Å; E78-K82 WeakPolarHBondContact O-CG 3.41Å; E78-K82 PolarHBondContact O-N 3.42Å; E78-K82 IonicContact OE2-NZ 2.76Å; E78-K82 PolarHBondContact OE2-NZ 3.27Å; K82-A86 WeakPolarHBondContact O-CB 3.3Å; K82-A86 PolarHBondContact O-N 3.41Å
83N98.3Very high97.5Very high96 Ų96104.6 Ų104.651%0.51350%0.496SS..Hα-helixtrans-68.9-41.3176.1-178.8-108.2000113.4K79 R80 R81 E85 A86 A87K79-N83 VanDerWaalsContact O-CB 3.31Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-N 3.19Å; R80-N83 PolarHBondContact O-N 2.82Å; R81-N83 VanDerWaalsContact C-N 3.33Å; R81-N83 PolarHBondContact O-N 3.34Å; N83-E85 VanDerWaalsContact C-N 3.34Å; N83-A86 PolarHBondContact O-N 3.43Å; N83-A87 WeakPolarHBondContact O-CB 3.33Å; N83-A87 PolarHBondContact O-N 3.49Å
84N98.4Very high97.7Very high82 Ų82107.8 Ų107.844%0.43950%0.501SS..Hα-helixtrans-61.3-43.6174.3-81.9-16.8000111.4R80 R81 A87 K88R80-N84 PolarHBondContact NH1-OD1 3.48Å; R80-N84 PolarHBondContact O-N 3.04Å; R81-N84 PolarHBondContact O-N 3.29Å; N84-A87 PolarHBondContact O-N 2.92Å; N84-K88 PolarHBondContact O-N 3.3Å
85E98.6Very high97.8Very high99 Ų99111.1 Ų111.146%0.46350%0.496SS..Hα-helixtrans-66.2-43.5178.6-162.8-156.8-157.400112R81 N83 A87 K88 R89R81-E85 PolarHBondContact O-N 3.42Å; N83-E85 VanDerWaalsContact C-N 3.34Å; E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.44Å; E85-K88 PolarHBondContact O-N 3.33Å; E85-R89 PolarHBondContact O-N 3.14Å; E85-R89 IonicContact OE1-CZ 2.74Å; E85-R89 IonicContact OE1-NH1 2.75Å; E85-R89 IonicContact OE1-NH2 2.78Å; E85-R89 PolarHBondContact OE1-NH2 3.32Å; E85-R89 IonicContact OE2-CZ 3.41Å; E85-R89 VanDerWaalsContact OE2-CZ 3.23Å; E85-R89 IonicContact OE2-NH1 3.76Å; E85-R89 PolarHBondContact OE2-NH1 3.4Å; E85-R89 IonicContact OE2-NH2 2.59Å; E85-R89 PolarHBondContact OE2-NH2 2.98Å
86A98.4Very high98Very high50 Ų50110.6 Ų110.641%0.41350%0.495SS..Hα-helixtrans-60.6-39.5172.400000112.1K82 N83 S90K82-A86 WeakPolarHBondContact O-CB 3.3Å; K82-A86 PolarHBondContact O-N 3.41Å; N83-A86 PolarHBondContact O-N 3.43Å; A86-S90 WeakPolarHBondContact O-CB 3.46Å; A86-S90 PolarHBondContact O-N 3.39Å
87A98.6Very high98.1Very high37 Ų37113 Ų11331%0.30651%0.51SS..Hα-helixtrans-66.7-38.5174.800000112.4N83 N84 E85 S90 R91N83-A87 WeakPolarHBondContact O-CB 3.33Å; N83-A87 PolarHBondContact O-N 3.49Å; N84-A87 PolarHBondContact O-N 2.92Å; E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.44Å; A87-S90 PolarHBondContact O-N 2.94Å; A87-R91 VanDerWaalsContact O-CG 3.31Å; A87-R91 WeakPolarHBondContact O-CG 3.21Å; A87-R91 PolarHBondContact O-N 3.39Å
88K98.5Very high98.2Very high161 Ų161110.5 Ų110.570%0.751%0.507SS*.Hα-helixtrans-61.3-53.6173.3-173176.8179.8178.60110.6N84 E85 S90 R91 E92N84-K88 PolarHBondContact O-N 3.3Å; E85-K88 PolarHBondContact O-N 3.33Å; K88-S90 VanDerWaalsContact C-N 3.31Å; K88-S90 PolarHBondContact O-N 2.98Å; K88-R91 PolarHBondContact O-N 3.17Å; K88-E92 PolarHBondContact O-N 3.47Å
89R98.4Very high98.2Very high142 Ų142110.6 Ų110.654%0.53651%0.509SS..Hα-helixtrans-57.9-40.6175.9-67.2-168-164.990-7.6112.6E85 E92 K93E85-R89 PolarHBondContact O-N 3.14Å; E85-R89 IonicContact OE1-CZ 2.74Å; E85-R89 IonicContact OE1-NH1 2.75Å; E85-R89 IonicContact OE1-NH2 2.78Å; E85-R89 PolarHBondContact OE1-NH2 3.32Å; E85-R89 IonicContact OE2-CZ 3.41Å; E85-R89 VanDerWaalsContact OE2-CZ 3.23Å; E85-R89 IonicContact OE2-NH1 3.76Å; E85-R89 PolarHBondContact OE2-NH1 3.4Å; E85-R89 IonicContact OE2-NH2 2.59Å; E85-R89 PolarHBondContact OE2-NH2 2.98Å; R89-E92 PolarHBondContact O-N 3.44Å; R89-K93 WeakPolarHBondContact O-CB 3.48Å; R89-K93 PolarHBondContact O-N 2.88Å
90S98.7Very high98.2Very high67 Ų67107.8 Ų107.847%0.46950%0.504SS..Hα-helixtrans-66-40179.6176.20000112.7A86 A87 K88 R94A86-S90 WeakPolarHBondContact O-CB 3.46Å; A86-S90 PolarHBondContact O-N 3.39Å; A87-S90 PolarHBondContact O-N 2.94Å; K88-S90 VanDerWaalsContact C-N 3.31Å; K88-S90 PolarHBondContact O-N 2.98Å; S90-R94 PolarHBondContact O-N 3.41Å
91R98.8Very high98.2Very high169 Ų169107.8 Ų107.864%0.63851%0.511SS*.Hα-helixtrans-65.2-43.8173.6-73.5172.7179.4-170.1-0.7111.3A87 K88 R94 R95A87-R91 VanDerWaalsContact O-CG 3.31Å; A87-R91 WeakPolarHBondContact O-CG 3.21Å; A87-R91 PolarHBondContact O-N 3.39Å; K88-R91 PolarHBondContact O-N 3.17Å; R91-R94 WeakPolarHBondContact O-CB 3.29Å; R91-R94 PolarHBondContact O-N 3.1Å; R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.08Å
92E98.4Very high98Very high93 Ų93103.1 Ų103.144%0.43550%0.495SS..Hα-helixtrans-68.9-41.5-178.1-154.252.6-12700112.4K88 R89 R94 R95 L96K88-E92 PolarHBondContact O-N 3.47Å; R89-E92 PolarHBondContact O-N 3.44Å; E92-R94 PolarHBondContact O-N 3.45Å; E92-R95 PolarHBondContact O-N 3.41Å; E92-R95 WeakPolarHBondContact OE2-CD 3.26Å; E92-R95 IonicContact OE2-CZ 3.01Å; E92-R95 IonicContact OE2-NH1 2.69Å; E92-R95 PolarHBondContact OE2-NH1 3Å; E92-L96 PolarHBondContact O-N 3.33Å
93K98.4Very high97.9Very high166 Ų166100.8 Ų100.872%0.72249%0.488SS*.Hα-helixtrans-57.2-36.4171.1-178.7172.9179.8175.10112.2R89 N97R89-K93 WeakPolarHBondContact O-CB 3.48Å; R89-K93 PolarHBondContact O-N 2.88Å; K93-N97 WeakPolarHBondContact O-CB 3.44Å; K93-N97 PolarHBondContact O-N 3.48Å; K93-N97 VanDerWaalsContact O-N 3.15Å
94R98.5Very high97.8Very high151 Ų151102.5 Ų102.557%0.5749%0.491SS*.Hα-helixtrans-68.2-51175.1-171.6-175-63.6137.65111.1S90 R91 E92 L96 N97 D98S90-R94 PolarHBondContact O-N 3.41Å; R91-R94 WeakPolarHBondContact O-CB 3.29Å; R91-R94 PolarHBondContact O-N 3.1Å; E92-R94 PolarHBondContact O-N 3.45Å; R94-L96 VanDerWaalsContact C-N 3.3Å; R94-L96 PolarHBondContact O-N 3.38Å; R94-N97 CarbonylContact O-C 3.55Å; R94-N97 WeakPolarHBondContact O-CA 3.48Å; R94-N97 WeakPolarHBondContact O-CB 3Å; R94-N97 PolarHBondContact O-N 3.31Å; R94-D98 WeakPolarHBondContact CG-OD2 3.28Å; R94-D98 PolarHBondContact O-N 3.24Å
95R98.4Very high97.7Very high154 Ų154103 Ų10358%0.58149%0.493SS*.Hα-helixtrans-53.3-46.2178.3-72167.3170.1172.8-12.2112.5R91 E92 N97 D98 L99R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.08Å; E92-R95 PolarHBondContact O-N 3.41Å; E92-R95 WeakPolarHBondContact OE2-CD 3.26Å; E92-R95 IonicContact OE2-CZ 3.01Å; E92-R95 IonicContact OE2-NH1 2.69Å; E92-R95 PolarHBondContact OE2-NH1 3Å; R95-N97 VanDerWaalsContact C-N 3.33Å; R95-N97 PolarHBondContact O-N 3.32Å; R95-D98 PolarHBondContact O-N 3.31Å; R95-L99 WeakPolarHBondContact O-CB 3.4Å; R95-L99 PolarHBondContact O-N 3.13Å
96L97.9Very high97.5Very high111 Ų11199.5 Ų99.558%0.58148%0.477SS*.Hα-helixtrans-63.8-38.3176.2-178.661.3000112E92 R94 V100E92-L96 PolarHBondContact O-N 3.33Å; R94-L96 VanDerWaalsContact C-N 3.3Å; R94-L96 PolarHBondContact O-N 3.38Å; L96-V100 HydrophobicContact CD1-CG2 4.47Å; L96-V100 WeakPolarHBondContact O-CB 3.39Å; L96-V100 VanDerWaalsContact O-CG2 3.25Å; L96-V100 WeakPolarHBondContact O-CG2 3.37Å; L96-V100 PolarHBondContact O-N 3.32Å
97N98.1Very high97.3Very high87 Ų8799 Ų9947%0.46547%0.473SS..Hα-helixtrans-68.2-42176.1-178.6-136.9000112.3K93 R94 R95 V100 L101K93-N97 WeakPolarHBondContact O-CB 3.44Å; K93-N97 PolarHBondContact O-N 3.48Å; K93-N97 VanDerWaalsContact O-N 3.15Å; R94-N97 CarbonylContact O-C 3.55Å; R94-N97 WeakPolarHBondContact O-CA 3.48Å; R94-N97 WeakPolarHBondContact O-CB 3Å; R94-N97 PolarHBondContact O-N 3.31Å; R95-N97 VanDerWaalsContact C-N 3.33Å; R95-N97 PolarHBondContact O-N 3.32Å; N97-V100 PolarHBondContact O-N 2.93Å; N97-L101 VanDerWaalsContact O-CG 3.31Å; N97-L101 WeakPolarHBondContact O-CG 3.31Å; N97-L101 PolarHBondContact O-N 3.08Å
98D97.3Very high97.2Very high83 Ų83101.3 Ų101.344%0.44448%0.48SS..Hα-helixtrans-59.7-46.8175.6-59.7-25000110.1R94 R95 V100 L101 E102R94-D98 WeakPolarHBondContact CG-OD2 3.28Å; R94-D98 PolarHBondContact O-N 3.24Å; R95-D98 PolarHBondContact O-N 3.31Å; D98-V100 PolarHBondContact O-N 3.47Å; D98-L101 PolarHBondContact O-N 2.81Å; D98-E102 PolarHBondContact O-N 2.8Å
99L96.9Very high97Very high74 Ų7494.9 Ų94.939%0.38746%0.459SS..Hα-helixtrans-62.3-39.2175.5177.562.8000113.3R95 L101 E102 N103R95-L99 WeakPolarHBondContact O-CB 3.4Å; R95-L99 PolarHBondContact O-N 3.13Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-E102 PolarHBondContact O-N 3.34Å; L99-N103 WeakPolarHBondContact O-CB 3.44Å; L99-N103 PolarHBondContact O-N 2.82Å; L99-N103 PolarHBondContact O-ND2 3.27Å
100V97.3Very high96.8Very high79 Ų7993 Ų9348%0.47946%0.456SS..Hα-helixtrans-66.9-37.1175.7166.10000111.2L96 N97 D98 K104L96-V100 HydrophobicContact CD1-CG2 4.47Å; L96-V100 WeakPolarHBondContact O-CB 3.39Å; L96-V100 VanDerWaalsContact O-CG2 3.25Å; L96-V100 WeakPolarHBondContact O-CG2 3.37Å; L96-V100 PolarHBondContact O-N 3.32Å; N97-V100 PolarHBondContact O-N 2.93Å; D98-V100 PolarHBondContact O-N 3.47Å; V100-K104 VanDerWaalsContact O-CB 3.28Å; V100-K104 WeakPolarHBondContact O-CB 3.5Å; V100-K104 PolarHBondContact O-N 2.99Å
101L97.3Very high96.8Very high99 Ų9995.2 Ų95.252%0.51846%0.459SS..Hα-helixtrans-69-40.3174.9-69.8170.8000111.8N97 D98 L99 K104 L105N97-L101 VanDerWaalsContact O-CG 3.31Å; N97-L101 WeakPolarHBondContact O-CG 3.31Å; N97-L101 PolarHBondContact O-N 3.08Å; D98-L101 PolarHBondContact O-N 2.81Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L101-K104 PolarHBondContact O-N 3.5Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 PolarHBondContact O-N 3.47Å
102E94.9Very high96.7Very high49 Ų4990.7 Ų90.723%0.22945%0.448CS..Hα-helixtrans-60.7-52.7173.8-176.4-178.4-171.400111.4D98 L99 K104 L105 I106 Y152D98-E102 PolarHBondContact O-N 2.8Å; L99-E102 PolarHBondContact O-N 3.34Å; E102-K104 VanDerWaalsContact C-N 3.27Å; E102-K104 PolarHBondContact O-N 3.48Å; E102-L105 WeakPolarHBondContact O-CB 3.44Å; E102-L105 PolarHBondContact O-N 3.29Å; E102-L105 VanDerWaalsContact O-N 3.09Å; E102-I106 HydrophobicContact CG-CD1 4.26Å; E102-I106 WeakPolarHBondContact O-CG1 3.45Å; E102-I106 PolarHBondContact O-N 3.28Å; E102-Y152 HydrophobicContact CG-CD1 3.91Å; E102-Y152 HydrophobicContact CG-CE1 4.45Å
103N95.4Very high96.5Very high68 Ų6887.3 Ų87.336%0.36444%0.435SS..Hα-helixtrans-60.9-36.1177.5-71.2-26.1000112.2L99 I106 A107 K156L99-N103 WeakPolarHBondContact O-CB 3.44Å; L99-N103 PolarHBondContact O-N 2.82Å; L99-N103 PolarHBondContact O-ND2 3.27Å; N103-I106 PolarHBondContact O-N 3.08Å; N103-A107 PolarHBondContact O-N 2.93Å; N103-K156 PolarHBondContact OD1-NZ 3.23Å
104K97.1Very high96.4Very high131 Ų13183 Ų8357%0.5742%0.424SS*.Hα-helixtrans-68-38.1174.5-179.7172.2178.6174.50112.4V100 L101 E102 I106 L108V100-K104 VanDerWaalsContact O-CB 3.28Å; V100-K104 WeakPolarHBondContact O-CB 3.5Å; V100-K104 PolarHBondContact O-N 2.99Å; L101-K104 PolarHBondContact O-N 3.5Å; E102-K104 VanDerWaalsContact C-N 3.27Å; E102-K104 PolarHBondContact O-N 3.48Å; K104-I106 VanDerWaalsContact C-N 3.34Å; K104-L108 HydrophobicContact CD-CD1 4.5Å; K104-L108 HydrophobicContact CG-CD1 3.92Å; K104-L108 HydrophobicContact CG-CG 4.31Å; K104-L108 WeakPolarHBondContact O-CB 3.36Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.4Å; K104-L108 PolarHBondContact O-N 2.92Å
105L95.9Very high96.4Very high93 Ų9380.9 Ų80.949%0.48742%0.423SS..Hα-helixtrans-63.7-42.4175.8178.361.6000111.1L101 E102 G109 Y152L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 PolarHBondContact O-N 3.47Å; E102-L105 WeakPolarHBondContact O-CB 3.44Å; E102-L105 PolarHBondContact O-N 3.29Å; E102-L105 VanDerWaalsContact O-N 3.09Å; L105-G109 PolarHBondContact O-N 2.91Å; L105-Y152 HydrophobicContact CD2-CE1 4.3Å; L105-Y152 HydrophobicContact CD2-CE2 4.3Å; L105-Y152 VanDerWaalsContact CD2-OH 3.31Å; L105-Y152 WeakPolarHBondContact CD2-OH 3.46Å
106I94.4Very high96.4Very high25 Ų2578.1 Ų78.113%0.12842%0.415CS..Hα-helixtrans-58.5-58.7175.1-69.1168.4000110E102 N103 K104 L108 G109 E110 F149 Y152E102-I106 HydrophobicContact CG-CD1 4.26Å; E102-I106 WeakPolarHBondContact O-CG1 3.45Å; E102-I106 PolarHBondContact O-N 3.28Å; N103-I106 PolarHBondContact O-N 3.08Å; K104-I106 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 2.85Å; I106-G109 WeakPolarHBondContact O-CA 3.47Å; I106-G109 PolarHBondContact O-N 2.69Å; I106-E110 PolarHBondContact O-N 3.23Å; I106-F149 HydrophobicContact CB-CE1 4.06Å; I106-F149 HydrophobicContact CG1-CE1 4.35Å; I106-F149 HydrophobicContact CG2-CD1 4.15Å; I106-F149 HydrophobicContact CG2-CE1 3.71Å; I106-F149 WeakPolarHBondContact O-CE1 3.21Å; I106-F149 WeakPolarHBondContact O-CZ 3.42Å; I106-Y152 HydrophobicContact CD1-CG 4.41Å; I106-Y152 HydrophobicContact CG1-CD2 4.41Å; I106-Y152 HydrophobicContact CG1-CG 4.32Å
107A94.7Very high96.3Very high39 Ų3974.7 Ų74.732%0.32240%0.402SS..Hα-helixtrans-57.6-45-177.900000112.8N103 G109 E110 E111N103-A107 PolarHBondContact O-N 2.93Å; A107-G109 VanDerWaalsContact C-N 3.27Å; A107-G109 PolarHBondContact O-N 3.49Å; A107-E110 PolarHBondContact O-N 3.07Å; A107-E111 WeakPolarHBondContact O-CG 3.47Å; A107-E111 PolarHBondContact O-N 3.35Å
108L96.6Very high96.3Very high87 Ų8775.8 Ų75.846%0.45541%0.405SS..Hα-helixtrans-64.1-31.1176.1-73.1175.5000112.7K104 I106 N112K104-L108 HydrophobicContact CD-CD1 4.5Å; K104-L108 HydrophobicContact CG-CD1 3.92Å; K104-L108 HydrophobicContact CG-CG 4.31Å; K104-L108 WeakPolarHBondContact O-CB 3.36Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.4Å; K104-L108 PolarHBondContact O-N 2.92Å; I106-L108 PolarHBondContact O-N 2.85Å; L108-N112 WeakPolarHBondContact O-CB 3.4Å; L108-N112 PolarHBondContact O-N 3.26Å
109G94.9Very high96.4Very high25 Ų2576 Ų7626%0.25841%0.406SS..Hα-helixtrans-69.9-40.3174.400000112.5L105 I106 A107 N112 A113L105-G109 PolarHBondContact O-N 2.91Å; I106-G109 WeakPolarHBondContact O-CA 3.47Å; I106-G109 PolarHBondContact O-N 2.69Å; A107-G109 VanDerWaalsContact C-N 3.27Å; A107-G109 PolarHBondContact O-N 3.49Å; G109-N112 PolarHBondContact O-N 2.92Å; G109-A113 WeakPolarHBondContact O-CB 3.49Å; G109-A113 PolarHBondContact O-N 2.9Å
110E94Very high96.4Very high103 Ų10373.4 Ų73.448%0.48139%0.392SS..Hα-helixtrans-66.9-46.5177.9-67.6174.1166.500111I106 A107 N112 A113 T114 F149I106-E110 PolarHBondContact O-N 3.23Å; A107-E110 PolarHBondContact O-N 3.07Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 2.91Å; E110-A113 PolarHBondContact O-N 3.05Å; E110-T114 WeakPolarHBondContact O-CB 3.41Å; E110-T114 PolarHBondContact O-N 3.48Å; E110-T114 PolarHBondContact O-OG1 3.11Å; E110-F149 HydrophobicContact CB-CZ 4.49Å; E110-F149 HydrophobicContact CG-CE1 3.75Å; E110-F149 HydrophobicContact CG-CE2 4.39Å; E110-F149 HydrophobicContact CG-CZ 3.63Å
111E97.1Very high96.4Very high113 Ų11371 Ų7153%0.52838%0.379SS..Hα-helixtrans-56.6-46.2171.1-72.4174.3-168.400111A107 A113 T114 L115A107-E111 WeakPolarHBondContact O-CG 3.47Å; A107-E111 PolarHBondContact O-N 3.35Å; E111-A113 PolarHBondContact O-N 3Å; E111-T114 PolarHBondContact O-N 2.99Å; E111-L115 WeakPolarHBondContact O-CB 3.48Å; E111-L115 VanDerWaalsContact O-CG 3.28Å; E111-L115 WeakPolarHBondContact O-CG 3.14Å; E111-L115 PolarHBondContact O-N 3.38Å
112N96.5Very high96.5Very high75 Ų7570.2 Ų70.240%0.40138%0.375SS..Hα-helixtrans-66.7-38.6-178.6-165.5-89.4000112.9L108 G109 E110 K116L108-N112 WeakPolarHBondContact O-CB 3.4Å; L108-N112 PolarHBondContact O-N 3.26Å; G109-N112 PolarHBondContact O-N 2.92Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 2.91Å; N112-K116 WeakPolarHBondContact O-CB 3.44Å; N112-K116 WeakPolarHBondContact O-CD 3.21Å; N112-K116 VanDerWaalsContact O-CG 3.26Å; N112-K116 WeakPolarHBondContact O-CG 3.5Å; N112-K116 PolarHBondContact O-N 3.24Å; N112-K116 WeakPolarHBondContact OD1-CD 3.47Å; N112-K116 WeakPolarHBondContact OD1-CE 3.42Å; N112-K116 PolarHBondContact OD1-NZ 2.96Å
113A95.9Very high96.6Very high21 Ų2171.8 Ų71.817%0.17438%0.381CS..Hα-helixtrans-63.9-44.117400000111.1G109 E110 E111 K116 A117 T145G109-A113 WeakPolarHBondContact O-CB 3.49Å; G109-A113 PolarHBondContact O-N 2.9Å; E110-A113 PolarHBondContact O-N 3.05Å; E111-A113 PolarHBondContact O-N 3Å; A113-K116 PolarHBondContact O-N 3.3Å; A113-A117 PolarHBondContact O-N 3.23Å; A113-T145 HydrophobicContact CB-CG2 4.17Å
114T96.4Very high96.7Very high77 Ų7771.3 Ų71.347%0.47238%0.378SS..Hα-helixtrans-61-52.6177.3-55.10000111.3E110 E111 K116 A117 E118E110-T114 WeakPolarHBondContact O-CB 3.41Å; E110-T114 PolarHBondContact O-N 3.48Å; E110-T114 PolarHBondContact O-OG1 3.11Å; E111-T114 PolarHBondContact O-N 2.99Å; T114-K116 VanDerWaalsContact C-N 3.27Å; T114-K116 PolarHBondContact O-N 3.31Å; T114-A117 WeakPolarHBondContact O-CB 3.13Å; T114-A117 PolarHBondContact O-N 3.05Å; T114-E118 PolarHBondContact O-N 3.45Å
115L98.3Very high96.7Very high106 Ų10672.4 Ų72.456%0.55538%0.382SS*.Hα-helixtrans-59.4-35.4177.9-70.9170000112.8E111 L119E111-L115 WeakPolarHBondContact O-CB 3.48Å; E111-L115 VanDerWaalsContact O-CG 3.28Å; E111-L115 WeakPolarHBondContact O-CG 3.14Å; E111-L115 PolarHBondContact O-N 3.38Å; L115-L119 VanDerWaalsContact O-CB 3.27Å; L115-L119 WeakPolarHBondContact O-CB 3.44Å; L115-L119 PolarHBondContact O-N 2.96Å
116K97.1Very high96.8Very high96 Ų9675.3 Ų75.342%0.41739%0.391SS..Hα-helixtrans-69.5-39174.7-77.5167.4170.6163.90112.3N112 A113 T114 L119 L120 L141N112-K116 WeakPolarHBondContact O-CB 3.44Å; N112-K116 WeakPolarHBondContact O-CD 3.21Å; N112-K116 VanDerWaalsContact O-CG 3.26Å; N112-K116 WeakPolarHBondContact O-CG 3.5Å; N112-K116 PolarHBondContact O-N 3.24Å; N112-K116 WeakPolarHBondContact OD1-CD 3.47Å; N112-K116 WeakPolarHBondContact OD1-CE 3.42Å; N112-K116 PolarHBondContact OD1-NZ 2.96Å; A113-K116 PolarHBondContact O-N 3.3Å; T114-K116 VanDerWaalsContact C-N 3.27Å; T114-K116 PolarHBondContact O-N 3.31Å; K116-L119 PolarHBondContact O-N 3.47Å; K116-L120 WeakPolarHBondContact O-CG 3.43Å; K116-L120 PolarHBondContact O-N 2.95Å; K116-L141 HydrophobicContact CB-CD1 3.69Å; K116-L141 HydrophobicContact CB-CD2 3.99Å; K116-L141 HydrophobicContact CD-CD2 3.71Å; K116-L141 HydrophobicContact CG-CD2 4.39Å
117A96.9Very high96.8Very high38 Ų3877 Ų7731%0.31442%0.415SS..Hα-helixtrans-66.1-43.4175.300000111.6A113 T114 L120 S121 I138A113-A117 PolarHBondContact O-N 3.23Å; T114-A117 WeakPolarHBondContact O-CB 3.13Å; T114-A117 PolarHBondContact O-N 3.05Å; A117-L120 PolarHBondContact O-N 2.91Å; A117-S121 PolarHBondContact O-N 2.81Å; A117-I138 HydrophobicContact CB-CD1 4.38Å
118E98.1Very high96.9Very high110 Ų11081.3 Ų81.351%0.51443%0.432SS..Hα-helixtrans-59.4-47.6172.9-71.8179.4-172.900111.8T114 L120 S121 L122T114-E118 PolarHBondContact O-N 3.45Å; E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.28Å; E118-S121 WeakPolarHBondContact O-CB 3.47Å; E118-S121 PolarHBondContact O-N 3.07Å; E118-S121 VanDerWaalsContact O-N 3.11Å; E118-L122 WeakPolarHBondContact O-CG 3.32Å; E118-L122 PolarHBondContact O-N 3.14Å
119L98.1Very high96.9Very high89 Ų8979.1 Ų79.147%0.46642%0.421SS..Hα-helixtrans-59.8-40.7177178.862.2000112.3L115 K116 L122 K123L115-L119 VanDerWaalsContact O-CB 3.27Å; L115-L119 WeakPolarHBondContact O-CB 3.44Å; L115-L119 PolarHBondContact O-N 2.96Å; K116-L119 PolarHBondContact O-N 3.47Å; L119-L122 PolarHBondContact O-N 3.16Å; L119-K123 HydrophobicContact CD1-CG 4.49Å; L119-K123 HydrophobicContact CG-CD 4.35Å; L119-K123 WeakPolarHBondContact O-CB 3.42Å; L119-K123 VanDerWaalsContact O-CG 3.29Å; L119-K123 WeakPolarHBondContact O-CG 3.46Å; L119-K123 PolarHBondContact O-N 2.75Å
120L97.8Very high97Very high18 Ų1880.8 Ų80.89%0.09443%0.428CS..Hα-helixtrans-65.9-40.9173.9-75.1177.2000111.7K116 A117 E118 L122 K123 L124 I129 Y134 E137 I138 L141K116-L120 WeakPolarHBondContact O-CG 3.43Å; K116-L120 PolarHBondContact O-N 2.95Å; A117-L120 PolarHBondContact O-N 2.91Å; E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.28Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 2.9Å; L120-K123 PolarHBondContact O-N 3.48Å; L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 PolarHBondContact O-N 2.98Å; L120-I129 HydrophobicContact CD2-CD1 3.91Å; L120-Y134 HydrophobicContact CB-CD2 3.84Å; L120-Y134 HydrophobicContact CB-CE2 3.79Å; L120-E137 HydrophobicContact CD1-CB 3.67Å; L120-E137 HydrophobicContact CD2-CB 3.95Å; L120-E137 HydrophobicContact CD2-CG 4.47Å; L120-I138 HydrophobicContact CB-CD1 4.31Å; L120-I138 HydrophobicContact CD1-CD1 3.75Å; L120-I138 HydrophobicContact CD1-CG1 4.02Å; L120-L141 HydrophobicContact CD1-CD1 3.45Å; L120-L141 VanDerWaalsContact CD1-CD1 3.45Å; L120-L141 HydrophobicContact CD1-CG 4.29Å; L120-L141 HydrophobicContact CG-CD1 4.46Å
121S97.4Very high97.1Very high30 Ų3080 Ų8021%0.2143%0.434CS..Hα-helixtrans-60.1-44175.5-171.20000111.5A117 E118 L124 K125A117-S121 PolarHBondContact O-N 2.81Å; E118-S121 WeakPolarHBondContact O-CB 3.47Å; E118-S121 PolarHBondContact O-N 3.07Å; E118-S121 VanDerWaalsContact O-N 3.11Å; S121-L124 PolarHBondContact O-N 3.11Å; S121-K125 WeakPolarHBondContact O-CB 3.28Å; S121-K125 WeakPolarHBondContact O-CD 3.47Å; S121-K125 VanDerWaalsContact O-CG 3.27Å; S121-K125 WeakPolarHBondContact O-CG 3.45Å; S121-K125 PolarHBondContact O-N 3.14Å; S121-K125 PolarHBondContact OG-NZ 3.3Å
122L98.3Very high97.1Very high82 Ų8279.5 Ų79.543%0.42944%0.439SS..Hα-helixtrans-64.7-47.2175.5-68.6170.8000111.5E118 L119 L120 L124 K125 F126E118-L122 WeakPolarHBondContact O-CG 3.32Å; E118-L122 PolarHBondContact O-N 3.14Å; L119-L122 PolarHBondContact O-N 3.16Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 2.9Å; L122-L124 VanDerWaalsContact C-N 3.27Å; L122-L124 PolarHBondContact O-N 3.22Å; L122-K125 PolarHBondContact O-N 3.06Å; L122-K125 VanDerWaalsContact O-N 3.14Å; L122-F126 HydrophobicContact CB-CD2 4.44Å; L122-F126 HydrophobicContact CB-CE2 4.45Å; L122-F126 HydrophobicContact CD2-CE2 4.2Å; L122-F126 WeakPolarHBondContact O-CD2 3.47Å; L122-F126 PolarHBondContact O-N 3.48Å
123K97.6Very high97.1Very high81 Ų8177.4 Ų77.435%0.35243%0.432SS..Hα-helixtrans-56.9-39.8176.2-77.3175.5176.5-176.10112.4L119 L120 G127 L128 I129L119-K123 HydrophobicContact CD1-CG 4.49Å; L119-K123 HydrophobicContact CG-CD 4.35Å; L119-K123 WeakPolarHBondContact O-CB 3.42Å; L119-K123 VanDerWaalsContact O-CG 3.29Å; L119-K123 WeakPolarHBondContact O-CG 3.46Å; L119-K123 PolarHBondContact O-N 2.75Å; L120-K123 PolarHBondContact O-N 3.48Å; K123-G127 PolarHBondContact O-N 2.8Å; K123-L128 HydrophobicContact CB-CB 4.27Å; K123-L128 HydrophobicContact CG-CB 4.44Å; K123-L128 HydrophobicContact CG-CD1 4.33Å; K123-L128 WeakPolarHBondContact O-CB 3.28Å; K123-L128 PolarHBondContact O-N 3.44Å; K123-I129 HydrophobicContact CB-CD1 3.75Å; K123-I129 HydrophobicContact CB-CG1 3.88Å; K123-I129 HydrophobicContact CB-CG2 4.3Å; K123-I129 HydrophobicContact CD-CG2 4.49Å; K123-I129 PolarHBondContact O-N 3.31Å
124L97.6Very high97.1Very high58 Ų5879.4 Ų79.430%0.30444%0.436SS..Hα-helixtrans-66.9-47175.3-178.465.7000111.4L120 S121 L122 F126 G127 I129 Y134L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 PolarHBondContact O-N 2.98Å; S121-L124 PolarHBondContact O-N 3.11Å; L122-L124 VanDerWaalsContact C-N 3.27Å; L122-L124 PolarHBondContact O-N 3.22Å; L124-F126 VanDerWaalsContact C-N 3.28Å; L124-F126 PolarHBondContact O-N 3.43Å; L124-G127 PolarHBondContact O-N 3.12Å; L124-I129 HydrophobicContact CB-CD1 4.43Å; L124-I129 HydrophobicContact CB-CG1 4.22Å; L124-Y134 HydrophobicContact CB-CD2 4.01Å; L124-Y134 HydrophobicContact CB-CG 4.35Å; L124-Y134 HydrophobicContact CD2-CD1 3.88Å; L124-Y134 HydrophobicContact CD2-CD2 4.03Å; L124-Y134 HydrophobicContact CD2-CE1 4.24Å; L124-Y134 HydrophobicContact CD2-CE2 4.38Å; L124-Y134 HydrophobicContact CD2-CG 3.78Å; L124-Y134 HydrophobicContact CG-CG 4.47Å
125K96.9Very high97.1Very high154 Ų15478.1 Ų78.167%0.6743%0.433SS*.Hα-helixtrans-59-36.1178.6-75.9162.8177.3155.20113.1S121 L122 G127S121-K125 WeakPolarHBondContact O-CB 3.28Å; S121-K125 WeakPolarHBondContact O-CD 3.47Å; S121-K125 VanDerWaalsContact O-CG 3.27Å; S121-K125 WeakPolarHBondContact O-CG 3.45Å; S121-K125 PolarHBondContact O-N 3.14Å; S121-K125 PolarHBondContact OG-NZ 3.3Å; L122-K125 PolarHBondContact O-N 3.06Å; L122-K125 VanDerWaalsContact O-N 3.14Å; K125-G127 VanDerWaalsContact C-N 3.34Å
126F97.6Very high97Very high154 Ų15479.7 Ų79.768%0.67544%0.437SS*.THydrogen-bonded Turntrans-88.57176.3-66.8-64.2000114.1L122 L124 L128L122-F126 HydrophobicContact CB-CD2 4.44Å; L122-F126 HydrophobicContact CB-CE2 4.45Å; L122-F126 HydrophobicContact CD2-CE2 4.2Å; L122-F126 WeakPolarHBondContact O-CD2 3.47Å; L122-F126 PolarHBondContact O-N 3.48Å; L124-F126 VanDerWaalsContact C-N 3.28Å; L124-F126 PolarHBondContact O-N 3.43Å; F126-L128 HydrophobicContact CB-CD1 4.32Å; F126-L128 HydrophobicContact CB-CG 4.08Å; F126-L128 PolarHBondContact O-N 2.87Å
127G95.3Very high97Very high61 Ų6178.5 Ų78.563%0.62943%0.433SS*.THydrogen-bonded Turntrans67.214.3178.700000115K123 L124 K125 I129K123-G127 PolarHBondContact O-N 2.8Å; L124-G127 PolarHBondContact O-N 3.12Å; K125-G127 VanDerWaalsContact C-N 3.34Å; G127-I129 VanDerWaalsContact C-N 3.25Å; G127-I129 PolarHBondContact O-N 3.25Å
128L96.6Very high96.9Very high129 Ų12979.1 Ų79.168%0.67543%0.431SS*.SBendtrans-74.3-16.8179.3-59.4177.8000112.8K123 F126K123-L128 HydrophobicContact CB-CB 4.27Å; K123-L128 HydrophobicContact CG-CB 4.44Å; K123-L128 HydrophobicContact CG-CD1 4.33Å; K123-L128 WeakPolarHBondContact O-CB 3.28Å; K123-L128 PolarHBondContact O-N 3.44Å; F126-L128 HydrophobicContact CB-CD1 4.32Å; F126-L128 HydrophobicContact CB-CG 4.08Å; F126-L128 PolarHBondContact O-N 2.87Å
129I96.6Very high96.7Very high42 Ų4280.1 Ų80.122%0.21544%0.435CS..SBendtrans-138.415117361.9-178.9000110L120 K123 L124 G127 A133 Y134L120-I129 HydrophobicContact CD2-CD1 3.91Å; K123-I129 HydrophobicContact CB-CD1 3.75Å; K123-I129 HydrophobicContact CB-CG1 3.88Å; K123-I129 HydrophobicContact CB-CG2 4.3Å; K123-I129 HydrophobicContact CD-CG2 4.49Å; K123-I129 PolarHBondContact O-N 3.31Å; L124-I129 HydrophobicContact CB-CD1 4.43Å; L124-I129 HydrophobicContact CB-CG1 4.22Å; G127-I129 VanDerWaalsContact C-N 3.25Å; G127-I129 PolarHBondContact O-N 3.25Å; I129-A133 HydrophobicContact CB-CB 4.47Å; I129-Y134 HydrophobicContact CD1-CD2 4.14Å
130S97.2Very high96.5Very high60 Ų6081.7 Ų81.742%0.4244%0.438SS..  trans-73.1158.417266.30000111.7T132 A133 Y134S130-T132 PolarHBondContact O-N 3.44Å; S130-T132 PolarHBondContact OG-OG1 2.65Å; S130-A133 PolarHBondContact O-N 2.66Å; S130-A133 WeakPolarHBondContact OG-CB 3.15Å; S130-A133 PolarHBondContact OG-N 3.34Å; S130-A133 VanDerWaalsContact OG-N 3.11Å; S130-Y134 PolarHBondContact O-N 2.88Å
131S96.6Very high96.4Very high86 Ų8682.2 Ų82.260%0.60144%0.441SS*.Hα-helixtrans-56.7-36.5172.3-173.80000112.4Y134 A135S131-Y134 PolarHBondContact O-N 3.48Å; S131-A135 PolarHBondContact O-N 3.01Å
132T96.5Very high96.1Very high102 Ų10284.3 Ų84.363%0.62646%0.456SS*.Hα-helixtrans-65.8-44175.949.50000112.8S130 A135 Q136S130-T132 PolarHBondContact O-N 3.44Å; S130-T132 PolarHBondContact OG-OG1 2.65Å; T132-A135 PolarHBondContact O-N 3.44Å; T132-Q136 WeakPolarHBondContact O-CG 3.4Å; T132-Q136 PolarHBondContact O-N 2.89Å
133A96.1Very high95.8Very high31 Ų3185.5 Ų85.526%0.25646%0.462SS..Hα-helixtrans-68.4-37.817700000111.8I129 S130 Q136 E137I129-A133 HydrophobicContact CB-CB 4.47Å; S130-A133 PolarHBondContact O-N 2.66Å; S130-A133 WeakPolarHBondContact OG-CB 3.15Å; S130-A133 PolarHBondContact OG-N 3.34Å; S130-A133 VanDerWaalsContact OG-N 3.11Å; A133-Q136 PolarHBondContact O-N 2.89Å; A133-E137 PolarHBondContact O-N 3.49Å
134Y97.1Very high95.5Very high64 Ų6484.4 Ų84.425%0.25147%0.465SS..Hα-helixtrans-57.6-49.5172.5172.5-94.8000111.7L120 L124 I129 S130 S131 Q136 E137 I138L120-Y134 HydrophobicContact CB-CD2 3.84Å; L120-Y134 HydrophobicContact CB-CE2 3.79Å; L124-Y134 HydrophobicContact CB-CD2 4.01Å; L124-Y134 HydrophobicContact CB-CG 4.35Å; L124-Y134 HydrophobicContact CD2-CD1 3.88Å; L124-Y134 HydrophobicContact CD2-CD2 4.03Å; L124-Y134 HydrophobicContact CD2-CE1 4.24Å; L124-Y134 HydrophobicContact CD2-CE2 4.38Å; L124-Y134 HydrophobicContact CD2-CG 3.78Å; L124-Y134 HydrophobicContact CG-CG 4.47Å; I129-Y134 HydrophobicContact CD1-CD2 4.14Å; S130-Y134 PolarHBondContact O-N 2.88Å; S131-Y134 PolarHBondContact O-N 3.48Å; Y134-Q136 VanDerWaalsContact C-N 3.35Å; Y134-Q136 PolarHBondContact O-N 2.98Å; Y134-E137 PolarHBondContact O-N 2.96Å; Y134-I138 HydrophobicContact CD1-CG1 4.24Å; Y134-I138 HydrophobicContact CD2-CG1 4.17Å; Y134-I138 HydrophobicContact CE1-CG1 3.85Å; Y134-I138 HydrophobicContact CE2-CD1 3.95Å; Y134-I138 HydrophobicContact CE2-CG1 3.77Å; Y134-I138 HydrophobicContact CG-CG1 4.38Å; Y134-I138 WeakPolarHBondContact O-CB 2.98Å; Y134-I138 VanDerWaalsContact O-CG1 3.29Å; Y134-I138 WeakPolarHBondContact O-CG1 3.17Å; Y134-I138 PolarHBondContact O-N 2.99Å
135A95.9Very high95.1Very high50 Ų5083.7 Ų83.741%0.41346%0.463SS..Hα-helixtrans-60.7-42179.800000112.5S131 T132 Q139S131-A135 PolarHBondContact O-N 3.01Å; T132-A135 PolarHBondContact O-N 3.44Å; A135-Q139 WeakPolarHBondContact O-CG 3.43Å; A135-Q139 PolarHBondContact O-N 3.41Å; A135-Q139 VanDerWaalsContact O-N 3.08Å
136Q96.6Very high94.6Very high138 Ų13878.7 Ų78.765%0.64545%0.45SS*.Hα-helixtrans-63.7-46.7176.5-72.4177.2-12.400112.4T132 A133 Y134 Q139 K140T132-Q136 WeakPolarHBondContact O-CG 3.4Å; T132-Q136 PolarHBondContact O-N 2.89Å; A133-Q136 PolarHBondContact O-N 2.89Å; Y134-Q136 VanDerWaalsContact C-N 3.35Å; Y134-Q136 PolarHBondContact O-N 2.98Å; Q136-Q139 PolarHBondContact O-N 3.3Å; Q136-K140 WeakPolarHBondContact O-CB 3.31Å; Q136-K140 PolarHBondContact O-N 3.38Å
137E95.6Very high94Very high72 Ų7276 Ų7634%0.33645%0.446SS..Hα-helixtrans-68.3-36.4178.9-73.6-67167.100112L120 A133 Y134 K140 L141L120-E137 HydrophobicContact CD1-CB 3.67Å; L120-E137 HydrophobicContact CD2-CB 3.95Å; L120-E137 HydrophobicContact CD2-CG 4.47Å; A133-E137 PolarHBondContact O-N 3.49Å; Y134-E137 PolarHBondContact O-N 2.96Å; E137-K140 PolarHBondContact O-N 3.09Å; E137-K140 IonicContact OE1-NZ 2.82Å; E137-K140 PolarHBondContact OE1-NZ 3.39Å; E137-K140 WeakPolarHBondContact OE2-CD 3.29Å; E137-K140 IonicContact OE2-NZ 2.82Å; E137-K140 PolarHBondContact OE2-NZ 3.28Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.31Å; E137-L141 PolarHBondContact O-N 3.29Å
138I95.3Very high93.3Very high51 Ų5180.1 Ų80.126%0.26244%0.444SS..Hα-helixtrans-62.7-43.7174-69.6-71.4000111.7A117 L120 Y134 K140 L141 S142A117-I138 HydrophobicContact CB-CD1 4.38Å; L120-I138 HydrophobicContact CB-CD1 4.31Å; L120-I138 HydrophobicContact CD1-CD1 3.75Å; L120-I138 HydrophobicContact CD1-CG1 4.02Å; Y134-I138 HydrophobicContact CD1-CG1 4.24Å; Y134-I138 HydrophobicContact CD2-CG1 4.17Å; Y134-I138 HydrophobicContact CE1-CG1 3.85Å; Y134-I138 HydrophobicContact CE2-CD1 3.95Å; Y134-I138 HydrophobicContact CE2-CG1 3.77Å; Y134-I138 HydrophobicContact CG-CG1 4.38Å; Y134-I138 WeakPolarHBondContact O-CB 2.98Å; Y134-I138 VanDerWaalsContact O-CG1 3.29Å; Y134-I138 WeakPolarHBondContact O-CG1 3.17Å; Y134-I138 PolarHBondContact O-N 2.99Å; I138-K140 VanDerWaalsContact C-N 3.35Å; I138-K140 PolarHBondContact O-N 3.45Å; I138-L141 PolarHBondContact O-N 3.05Å; I138-S142 WeakPolarHBondContact O-CB 3.43Å; I138-S142 PolarHBondContact O-N 3.25Å
139Q95.1Very high92.7Very high131 Ų13175.5 Ų75.561%0.61242%0.418SS*.Hα-helixtrans-61.4-43.4174.4-75-177.5-3.900111.8A135 Q136 S142 N143A135-Q139 WeakPolarHBondContact O-CG 3.43Å; A135-Q139 PolarHBondContact O-N 3.41Å; A135-Q139 VanDerWaalsContact O-N 3.08Å; Q136-Q139 PolarHBondContact O-N 3.3Å; Q139-S142 PolarHBondContact O-N 3.09Å; Q139-N143 WeakPolarHBondContact O-CB 2.96Å; Q139-N143 VanDerWaalsContact O-CG 3.26Å; Q139-N143 PolarHBondContact O-N 3.21Å; Q139-N143 PolarHBondContact O-ND2 3.47Å
140K94.1Very high91.8Very high121 Ų12179.5 Ų79.553%0.52644%0.436SS..Hα-helixtrans-64-39.1176.8175.3175.5154.8-143.10112.7Q136 E137 I138 S144Q136-K140 WeakPolarHBondContact O-CB 3.31Å; Q136-K140 PolarHBondContact O-N 3.38Å; E137-K140 PolarHBondContact O-N 3.09Å; E137-K140 IonicContact OE1-NZ 2.82Å; E137-K140 PolarHBondContact OE1-NZ 3.39Å; E137-K140 WeakPolarHBondContact OE2-CD 3.29Å; E137-K140 IonicContact OE2-NZ 2.82Å; E137-K140 PolarHBondContact OE2-NZ 3.28Å; I138-K140 VanDerWaalsContact C-N 3.35Å; I138-K140 PolarHBondContact O-N 3.45Å; K140-S144 WeakPolarHBondContact O-CB 3.06Å; K140-S144 PolarHBondContact O-N 3.07Å
141L94.1Very high90.5Very high30 Ų3082.4 Ų82.416%0.15745%0.447CS..Hα-helixtrans-62.9-47.1172-72.3-176.9000111.2K116 L120 E137 I138 S144 T145K116-L141 HydrophobicContact CB-CD1 3.69Å; K116-L141 HydrophobicContact CB-CD2 3.99Å; K116-L141 HydrophobicContact CD-CD2 3.71Å; K116-L141 HydrophobicContact CG-CD2 4.39Å; L120-L141 HydrophobicContact CD1-CD1 3.45Å; L120-L141 VanDerWaalsContact CD1-CD1 3.45Å; L120-L141 HydrophobicContact CD1-CG 4.29Å; L120-L141 HydrophobicContact CG-CD1 4.46Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.31Å; E137-L141 PolarHBondContact O-N 3.29Å; I138-L141 PolarHBondContact O-N 3.05Å; L141-S144 PolarHBondContact O-N 3.41Å; L141-T145 WeakPolarHBondContact O-CB 3.36Å; L141-T145 PolarHBondContact O-N 3.47Å; L141-T145 PolarHBondContact O-OG1 3.09Å
142S92.2Very high89.2Confident73 Ų7381.9 Ų81.951%0.5143%0.433SS..Hα-helixtrans-59.3-50178.5-1780000111.6I138 Q139 S144 T145 A146I138-S142 WeakPolarHBondContact O-CB 3.43Å; I138-S142 PolarHBondContact O-N 3.25Å; Q139-S142 PolarHBondContact O-N 3.09Å; S142-S144 PolarHBondContact O-N 3.42Å; S142-T145 WeakPolarHBondContact O-CB 3.39Å; S142-T145 PolarHBondContact O-N 3.23Å; S142-A146 WeakPolarHBondContact O-CB 3.28Å; S142-A146 PolarHBondContact O-N 3.14Å
143N92.3Very high87.5Confident107 Ų10783.3 Ų83.357%0.57243%0.432SS*.Hα-helixtrans-62.3-44.8178.7-68.1-15.6000112.4Q139 A146 V147Q139-N143 WeakPolarHBondContact O-CB 2.96Å; Q139-N143 VanDerWaalsContact O-CG 3.26Å; Q139-N143 PolarHBondContact O-N 3.21Å; Q139-N143 PolarHBondContact O-ND2 3.47Å; N143-A146 PolarHBondContact O-N 3.33Å; N143-V147 WeakPolarHBondContact O-CG2 3.38Å; N143-V147 PolarHBondContact O-N 3.46Å; N143-V147 VanDerWaalsContact O-N 3.12Å
144S89.8Confident85.6Confident59 Ų5985.2 Ų85.241%0.41344%0.441SS..Hα-helixtrans-62.7-43.5177.5-175.40000111.6K140 L141 S142 V147 Y148K140-S144 WeakPolarHBondContact O-CB 3.06Å; K140-S144 PolarHBondContact O-N 3.07Å; L141-S144 PolarHBondContact O-N 3.41Å; S142-S144 PolarHBondContact O-N 3.42Å; S144-V147 PolarHBondContact O-N 3.12Å; S144-Y148 WeakPolarHBondContact O-CD2 3.5Å; S144-Y148 PolarHBondContact O-N 3.27Å
145T90.1Very high83.7Confident42 Ų4284.8 Ų84.826%0.25845%0.447SS..Hα-helixtrans-59.5-54.4175.9-58.60000109.8A113 L141 S142 V147 Y148 F149A113-T145 HydrophobicContact CB-CG2 4.17Å; L141-T145 WeakPolarHBondContact O-CB 3.36Å; L141-T145 PolarHBondContact O-N 3.47Å; L141-T145 PolarHBondContact O-OG1 3.09Å; S142-T145 WeakPolarHBondContact O-CB 3.39Å; S142-T145 PolarHBondContact O-N 3.23Å; T145-V147 VanDerWaalsContact C-N 3.32Å; T145-V147 PolarHBondContact O-N 2.86Å; T145-Y148 PolarHBondContact O-N 3.25Å; T145-F149 HydrophobicContact CG2-CD2 3.58Å; T145-F149 HydrophobicContact CG2-CE2 3.7Å; T145-F149 WeakPolarHBondContact O-CD2 3.47Å; T145-F149 PolarHBondContact O-N 2.91Å
146A86.4Confident81.7Confident49 Ų4987 Ų8741%0.40545%0.447SS..Hα-helixtrans-52.4-46.9179.900000112.7S142 N143 Y148 F149 Q150S142-A146 WeakPolarHBondContact O-CB 3.28Å; S142-A146 PolarHBondContact O-N 3.14Å; N143-A146 PolarHBondContact O-N 3.33Å; A146-Y148 PolarHBondContact O-N 3.35Å; A146-F149 PolarHBondContact O-N 3.28Å; A146-Q150 VanDerWaalsContact O-CB 3.28Å; A146-Q150 WeakPolarHBondContact O-CB 3.42Å; A146-Q150 PolarHBondContact O-N 3.03Å
147V85Confident79.3Confident97 Ų9783.9 Ų83.959%0.58844%0.441SS*.Hα-helixtrans-59.3-44.9177.6172.10000112.1N143 S144 T145N143-V147 WeakPolarHBondContact O-CG2 3.38Å; N143-V147 PolarHBondContact O-N 3.46Å; N143-V147 VanDerWaalsContact O-N 3.12Å; S144-V147 PolarHBondContact O-N 3.12Å; T145-V147 VanDerWaalsContact C-N 3.32Å; T145-V147 PolarHBondContact O-N 2.86Å
148Y81.1Confident76.9Confident149 Ų14986.4 Ų86.458%0.58446%0.456SS*.Hα-helixtrans-65-41.2178-77.7-65.6000112.5S144 T145 A146 Y152S144-Y148 WeakPolarHBondContact O-CD2 3.5Å; S144-Y148 PolarHBondContact O-N 3.27Å; T145-Y148 PolarHBondContact O-N 3.25Å; A146-Y148 PolarHBondContact O-N 3.35Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.43Å; Y148-Y152 WeakPolarHBondContact O-CE2 3.39Å
149F83.1Confident74.9Confident31 Ų3190.1 Ų90.114%0.13648%0.481CS..Hα-helixtrans-82.4-28.5-174.1-72.1-75.9000114.3I106 E110 T145 A146 D151 Y152 Q153I106-F149 HydrophobicContact CB-CE1 4.06Å; I106-F149 HydrophobicContact CG1-CE1 4.35Å; I106-F149 HydrophobicContact CG2-CD1 4.15Å; I106-F149 HydrophobicContact CG2-CE1 3.71Å; I106-F149 WeakPolarHBondContact O-CE1 3.21Å; I106-F149 WeakPolarHBondContact O-CZ 3.42Å; E110-F149 HydrophobicContact CB-CZ 4.49Å; E110-F149 HydrophobicContact CG-CE1 3.75Å; E110-F149 HydrophobicContact CG-CE2 4.39Å; E110-F149 HydrophobicContact CG-CZ 3.63Å; T145-F149 HydrophobicContact CG2-CD2 3.58Å; T145-F149 HydrophobicContact CG2-CE2 3.7Å; T145-F149 WeakPolarHBondContact O-CD2 3.47Å; T145-F149 PolarHBondContact O-N 2.91Å; A146-F149 PolarHBondContact O-N 3.28Å; F149-D151 VanDerWaalsContact C-N 3.33Å; F149-D151 PolarHBondContact O-N 3.4Å; F149-Y152 PolarHBondContact O-N 2.91Å; F149-Q153 PolarHBondContact O-N 3.06Å
150Q77.6Confident72.4Confident126 Ų12688.1 Ų88.159%0.58948%0.482SS*.Hα-helixtrans-56.4-44.5179.5-168.9101.63100112.2A146 Y152 Q153 T154A146-Q150 VanDerWaalsContact O-CB 3.28Å; A146-Q150 WeakPolarHBondContact O-CB 3.42Å; A146-Q150 PolarHBondContact O-N 3.03Å; Q150-Y152 VanDerWaalsContact C-N 3.34Å; Q150-Y152 PolarHBondContact O-N 3.02Å; Q150-Q153 PolarHBondContact O-N 3.49Å; Q150-T154 PolarHBondContact O-N 3.1Å; Q150-T154 VanDerWaalsContact O-N 3.14Å; Q150-T154 PolarHBondContact O-OG1 3.01Å
151D70.6Confident69.7Low122 Ų12286.6 Ų86.665%0.65249%0.486SS*.Hα-helixtrans-66.7-33.2-177.1-73.1-14.2000112.5F149F149-D151 VanDerWaalsContact C-N 3.33Å; F149-D151 PolarHBondContact O-N 3.4Å
152Y67.9Low67Low75 Ų7595 Ų9529%0.29452%0.522SS..Hα-helixtrans-84.6-26.3176-55.8-71.2000113.5E102 L105 I106 Y148 F149 Q150 S155E102-Y152 HydrophobicContact CG-CD1 3.91Å; E102-Y152 HydrophobicContact CG-CE1 4.45Å; L105-Y152 HydrophobicContact CD2-CE1 4.3Å; L105-Y152 HydrophobicContact CD2-CE2 4.3Å; L105-Y152 VanDerWaalsContact CD2-OH 3.31Å; L105-Y152 WeakPolarHBondContact CD2-OH 3.46Å; I106-Y152 HydrophobicContact CD1-CG 4.41Å; I106-Y152 HydrophobicContact CG1-CD2 4.41Å; I106-Y152 HydrophobicContact CG1-CG 4.32Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.43Å; Y148-Y152 WeakPolarHBondContact O-CE2 3.39Å; F149-Y152 PolarHBondContact O-N 2.91Å; Q150-Y152 VanDerWaalsContact C-N 3.34Å; Q150-Y152 PolarHBondContact O-N 3.02Å; Y152-S155 PolarHBondContact O-OG 3.33Å
153Q62.1Low64.6Low132 Ų13297.8 Ų97.862%0.61754%0.536SS*.Hα-helixtrans-71.1-39.9176.1-147.981.423.500111F149 Q150 S155 K156 S157F149-Q153 PolarHBondContact O-N 3.06Å; Q150-Q153 PolarHBondContact O-N 3.49Å; Q153-S155 VanDerWaalsContact C-N 3.3Å; Q153-S155 PolarHBondContact O-N 3.09Å; Q153-K156 PolarHBondContact O-N 2.96Å; Q153-S157 PolarHBondContact O-N 2.98Å
154T56.4Low61.9Low71 Ų71100.3 Ų100.344%0.43655%0.549SS..Hα-helixtrans-73-21.1-175.2-44.10000112.8Q150 S157Q150-T154 PolarHBondContact O-N 3.1Å; Q150-T154 VanDerWaalsContact O-N 3.14Å; Q150-T154 PolarHBondContact O-OG1 3.01Å; T154-S157 PolarHBondContact O-OG 2.97Å
155S57.3Low59.6Low54 Ų54105.9 Ų105.938%0.37857%0.569SS.*Hα-helixtrans-71.1-34.2173.772.70000112.3Y152 Q153Y152-S155 PolarHBondContact O-OG 3.33Å; Q153-S155 VanDerWaalsContact C-N 3.3Å; Q153-S155 PolarHBondContact O-N 3.09Å
156K53Low57.3Low96 Ų96112.5 Ų112.542%0.41760%0.596SS.*Hα-helixtrans-80.8-34.4-176.7-69.4-179177.8172.70113.2N103 Q153 N158 V159N103-K156 PolarHBondContact OD1-NZ 3.23Å; Q153-K156 PolarHBondContact O-N 2.96Å; K156-N158 PolarHBondContact O-N 2.79Å; K156-V159 PolarHBondContact O-N 3.38Å
157S46.8Very low54.8Low73 Ų73118.3 Ų118.351%0.5162%0.615SS.*Hα-helixtrans-66.8-35.9179.256.50000113.3Q153 T154 V159 S160Q153-S157 PolarHBondContact O-N 2.98Å; T154-S157 PolarHBondContact O-OG 2.97Å; S157-V159 VanDerWaalsContact C-N 3.26Å; S157-V159 PolarHBondContact O-N 3.01Å; S157-S160 PolarHBondContact O-N 3.34Å
158N44.5Very low52.7Low125 Ų125118.5 Ų118.567%0.66862%0.618SS**THydrogen-bonded Turntrans-72.7-9.4-178.6-101.4-24.8000115.2K156K156-N158 PolarHBondContact O-N 2.79Å
159V52.7Low50.8Low129 Ų129116.1 Ų116.178%0.78263%0.63SS**THydrogen-bonded Turntrans-91.3-10.6176-177.60000111.6K156 S157K156-V159 PolarHBondContact O-N 3.38Å; S157-V159 VanDerWaalsContact C-N 3.26Å; S157-V159 PolarHBondContact O-N 3.01Å
160S43.2Very low48.6Very low89 Ų89122.8 Ų122.862%0.62266%0.663SS**SBendtrans-97.2-4.2-175-165.90000115.1S157 F162S157-S160 PolarHBondContact O-N 3.34Å; S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.01Å
161S37.6Very low46.9Very low89 Ų89122.6 Ų122.662%0.62267%0.67SS**SBendtrans-87.520.1-17164.20000115.4
162F38.4Very low45.5Very low207 Ų207121.5 Ų121.591%0.90868%0.678SS**  trans-136.853.5175.4-121.3-80.3000111.5S160S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.01Å
163V41.8Very low44.1Very low132 Ų132123.1 Ų123.180%0.870%0.701SS**SBendtrans-122.3132.1159.6-179.40000107.2
164D35.1Very low43.5Very low160 Ų160122.9 Ų122.986%0.85671%0.714SS**  trans-66153-169-162.720000113.3H166D164-H166 PolarHBondContact O-N 3.31Å
165E41.2Very low42.8Very low176 Ų176124.5 Ų124.582%0.82273%0.726SS**  trans-89.693.5-165.7-173.8-174.2164.400111.9
166H41.4Very low42.4Very low180 Ų180129.5 Ų129.583%0.83375%0.747SS**  trans-161.694159.9-106.9-72.8000112.8D164D164-H166 PolarHBondContact O-N 3.31Å
167E35Very low42.3Very low172 Ų172130.2 Ų130.280%0.80476%0.764SS**SBendtrans171.7145.7132.8-93.9-66.492.900110.2
168P40.3Very low42Very low100 Ų100132.2 Ų132.265%0.64977%0.773SS**  trans-79.1144.5-163.930.8-34.4000114.3M170P168-M170 PolarHBondContact O-N 3.27Å
169A41.8Very low42Very low100 Ų100133.4 Ų133.483%0.82678%0.778SS**  trans-66.6119.9-179.200000113.1
170M36.8Very low41.2Very low171 Ų171134.9 Ų134.984%0.84277%0.774SS**  trans-120.697.1163.1-75.8-67.1-179.700110.5P168P168-M170 PolarHBondContact O-N 3.27Å
171V40.4Very low41.1Very low122 Ų122139.3 Ų139.374%0.73978%0.784SS**  trans39.5110.2152.1-173.60000117.7S173V171-S173 PolarHBondContact O-N 3.01Å
172A42.8Very low41Very low99 Ų99139.9 Ų139.982%0.81879%0.788SS**  trans-60.5120.1159.500000111.2
173S37Very low41.3Very low109 Ų109135.7 Ų135.776%0.76278%0.782SS**  trans-160.5131.5155.9-85.30000112.2V171V171-S173 PolarHBondContact O-N 3.01Å
174S49.3Very low41Very low127 Ų127138.4 Ų138.489%0.88879%0.786SS**  trans-79.3115.5174.7152.20000111
175C43.6Very low40.8Very low104 Ų104135.9 Ų135.970%0.70378%0.781SS**  trans-163.1130.9147.6490000112.5
176I47Very low40.4Very low160 Ų160132.2 Ų132.282%0.82178%0.775SS**  trans-74.4128.9164.6-69.2165.5000107.9V178I176-V178 HydrophobicContact CG2-CG2 4.03Å
177S50.8Low39.9Very low110 Ų110131.3 Ų131.377%0.76978%0.775SS**  trans-136110.3168.5-77.20000110.2
178V41.5Very low39.6Very low116 Ų116127.8 Ų127.870%0.70377%0.77SS**  trans-94.6116.9179.8178.50000108.8I176I176-V178 HydrophobicContact CG2-CG2 4.03Å
179I45.3Very low39.2Very low149 Ų149130.6 Ų130.676%0.76478%0.779SS**  trans48.8113.9157.4-51.6165.2000116.5
180K35.4Very low39Very low161 Ų161131.2 Ų131.270%0.777%0.773SS**  -168.6136.3120.1-109.4175175.1-172.90116
181H40.9Very low38.9Very low181 Ų181127.9 Ų127.984%0.83877%0.766SS**  trans72.5102.2152.4-58-36.6000120.6
182S34.8Very low38.5Very low101 Ų101130.5 Ų130.571%0.70677%0.77SS**  trans-59.1148.8148166.90000111.8
183P45.1Very low38Very low120 Ų120132 Ų13278%0.77977%0.769SS**  trans-117.9128.3139.233.4-24.9000111.4
184Q35.8Very low37.7Very low188 Ų188131.2 Ų131.288%0.87976%0.763SS**  trans-73.3141.6161.5-73.2-177.8-32.400110.2
185S29.8Very low36.8Very low107 Ų107130.1 Ų130.175%0.74876%0.755SS**  trans-152.1104157.4-1750000105.3
186S33Very low36.2Very low100 Ų100131 Ų13170%0.69976%0.758SS**  62.1130.794.4-56.60000111.9
187L31.2Very low35.2Very low161 Ų161132.1 Ų132.184%0.84376%0.759SS**  cis171.6161.7-1.5-114172.7000102.4
188S29.4Very low34.2Very low98 Ų98134.8 Ų134.869%0.68576%0.759SS**  trans64.3114.3159.5-172.60000118.6
189D32.4Very low33.8Very low158 Ų158134.7 Ų134.785%0.84576%0.759SS**  -139.8150.5116-151.5-1.9000110.9
190V36.3Very low33.2Very low114 Ų114135.1 Ų135.169%0.69176%0.758SS**  trans-144.2126.6-170-76.30000110.7
191S35.9Very low32.9Very low100 Ų100135.6 Ų135.670%0.69976%0.762SS**  trans175.5126.6153.1-102.10000108.6
192E32.2Very low32.4Very low178 Ų178132.3 Ų132.383%0.83276%0.76SS**  71.6137.589.3-69.4-178.3144.500113
193V30.9Very low32Very low130 Ų130132.6 Ų132.679%0.78876%0.762SS**  cis-159.8144.116.240.90000112.2
194S31.4Very low31.4Very low93 Ų93132.8 Ų132.865%0.6576%0.761SS**  trans6.5137.5151.7-169.80000121.6
195S29.6Very low31.2Very low103 Ų103132.6 Ų132.672%0.7276%0.76SS**  17512496.6-69.90000117
196V30.8Very low31.2Very low124 Ų124131.5 Ų131.575%0.75277%0.765SS**  54.5118.9126.1-175.50000122.2
197E27.5Very low31Very low183 Ų183131.9 Ų131.986%0.85577%0.768SS**  -164.3114.2123-149.7154.2-162.700109.7
198H30.1Very low30.8Very low165 Ų165129.7 Ų129.776%0.76477%0.765SS**  42.6126113.4-84.733.9000116
199T32Very low30.8Very low114 Ų114136.6 Ų136.670%0.69978%0.776SS**  -157.6155.850.790000114.9
200Q32Very low30.6Very low159 Ų159134.4 Ų134.474%0.74377%0.773SS**  trans60.2140.4154.1-67173.3-74.300119.2
201E29.6Very low31.6Very low170 Ų170133.7 Ų133.779%0.79477%0.77SS**  cis-153.2177.2-0.3-130.9162.3-134.800112.3
202S30.8Very low31.3Very low113 Ų113136.3 Ų136.379%0.7977%0.772SS**  trans-93.8175.6-158-166.30000117.6
203S26.8Very low31.2Very low107 Ų107133.1 Ų133.175%0.74876%0.76SS**  trans81.7139.1164.9-83.60000119.5
204V31.6Very low31.4Very low123 Ų123135.9 Ų135.975%0.74576%0.762SS**  cis-158.1-178.1-12.7930000112.4
205Q32.1Very low31.4Very low185 Ų185139.4 Ų139.486%0.86477%0.766SS**  trans-53.7156.5177-59.6161.1-61.500116.8
206G29.1Very low31.7Very low84 Ų84141.8 Ų141.887%0.86677%0.765SS**  trans-173.4125.4160.400000114.4
207S28.8Very low31.8Very low108 Ų108142.9 Ų142.976%0.75577%0.765SS**  trans-105.4140.3-174.5-173.90000113.2
208C28.1Very low32.2Very low114 Ų114140.3 Ų140.377%0.7776%0.756SS**  trans49.6145.8148.1-65.10000123.9
209R27.9Very low32.3Very low244 Ų244141.2 Ų141.292%0.92176%0.758SS**  trans88.5111.5158.5-65.7-170.1175.9-139.30.8120.7
210S28.1Very low32.2Very low112 Ų112144.3 Ų144.378%0.78376%0.764SS**  -0.3167.5119.6-92.80000120.7
211P57.2Low32.1Very low98 Ų98145.2 Ų145.264%0.63677%0.769SS**  cis-142.1-157-9.627.8-0.6000114.2
212E30.4Very low32.7Very low155 Ų155141.7 Ų141.772%0.72476%0.761SS**  trans106.6115.8137.2-82.9173.1-148.700124.8
213N31.2Very low32.9Very low112 Ų112143.9 Ų143.960%0.59976%0.76SS**  101.2143.2117.3-84.4-34.4000124.6
214K33.9Very low33.1Very low187 Ų187146.2 Ų146.281%0.81376%0.759SS**  trans94.6115.4159.3-45.2-169.4-174.8173.50117.9
215F32.6Very low33.1Very low167 Ų167147.9 Ų147.973%0.73276%0.763SS**  cis78.6134.248.8-73.2-59.5000113.1
216Q36.1Very low32.9Very low153 Ų153147.7 Ų147.772%0.71576%0.763SS**  cis-174.7-1784.3-172.8154.412.200113
217I32.1Very low32.8Very low147 Ų147147.7 Ų147.775%0.75475%0.749SS**  trans100.9135.3153.2-59.6-177.3000117.9
218I35.2Very low32.8Very low129 Ų129153.2 Ų153.266%0.66276%0.755SS**  cis-169.6141.8-26.1-106.1162.2000109.3
219K33.5Very low32.9Very low184 Ų184155.1 Ų155.180%0.876%0.763SS**  trans51.9156.3159.8-74.7177.8175.3-179.60119.7
220Q28.4Very low32.9Very low179 Ų179153.5 Ų153.584%0.83676%0.757SS**  cis-154.8163.721.3-142.7160.721.500112
221E30Very low32.9Very low178 Ų178154 Ų15483%0.83275%0.747SS**  trans-90.7-175.2177.6-116.2-162.1179.400112.9
222P43.2Very low31.6Very low96 Ų96156 Ų15662%0.62376%0.758SS**  cis-143.1178.517.443.4-24.1000119.1
223M34.1Very low31.8Very low160 Ų160158 Ų15879%0.78876%0.758SS**  trans59.2142.4152.4-75.3172.679.300119.9
224E32.7Very low31.9Very low155 Ų155159 Ų15972%0.72476%0.764SS**  cis-154.3173.35.9-96.2-120.3142.600111.6
225L29.8Very low31.9Very low159 Ų159157 Ų15783%0.83276%0.762SS**  trans99.586.4150.3-144.370.3000119.9
226E27.9Very low31.8Very low181 Ų181160.2 Ų160.285%0.84677%0.769SS**  trans-69.7165.1149.5-56.7176110.400110.2
227S28.7Very low31.5Very low83 Ų83156.4 Ų156.458%0.5877%0.771SS**  cis-136.1177.49.5-40.80000107.9
228Y27.1Very low31.8Very low225 Ų225154.6 Ų154.688%0.88277%0.772SS**  -153.9168.951.5-37.7-80.9000111.8
229T30.1Very low32.1Very low154 Ų154159.9 Ų159.995%0.94579%0.785SS**  trans-83.8172.7-166.718.10000116.9
230R29.7Very low32.5Very low210 Ų210157.4 Ų157.479%0.79279%0.786SS**  trans-132.2141.3-153.9-170.1-144.6-103.5-127.38.9113.1
231E28.2Very low33.1Very low123 Ų123153 Ų15358%0.57578%0.78SS**  trans60.4152149-81.2176.9-97.900120.6
232T29.4Very low33.9Very low139 Ų139150.1 Ų150.185%0.85378%0.779SS**  -155.6152.674.2-46.80000113.3
233R34.6Very low33.9Very low197 Ų197153 Ų15374%0.74379%0.788SS**  trans-78.1-173.9169.8-52.3-178.8177.8-179.2-2.3111.1
234D32.7Very low34.2Very low133 Ų133156.4 Ų156.471%0.71179%0.793SS**  cis-142.9137.614.1-76.7-65.8000107.6
235D33.7Very low34.6Very low146 Ų146157.5 Ų157.578%0.78180%0.798SS**  91.2146.881.4-159.220.1000115.5
236R31.3Very low35.2Very low233 Ų233157.3 Ų157.388%0.87980%0.798SS**  trans69.3109.1173.3-88.5180172.5-145.4-4.6121.4
237G30Very low36.2Very low73 Ų73159.4 Ų159.475%0.75380%0.8SS**  trans132.284.7132.100000117.8
238S37.2Very low36.7Very low110 Ų110164.3 Ų164.377%0.76982%0.816SS**  trans-160.894.6159.3-87.10000112.5
239Y41.3Very low37.1Very low240 Ų240157.1 Ų157.194%0.94181%0.811SS**  trans-125.848.2173.6-123-78.5000110.6
240T42.3Very low37.3Very low132 Ų132157.6 Ų157.681%0.8181%0.807SS**  trans-140.70.2-174.1560000115.6
241A40.5Very low37.8Very low86 Ų86152.5 Ų152.571%0.71180%0.804SS**  trans-120.751-161.400000115.4
242S46.6Very low38.3Very low117 Ų117156.7 Ų156.782%0.81882%0.821SS**SBendtrans-144.711179.6-50.10000117
243I43.1Very low38.6Very low158 Ų158156 Ų15681%0.8182%0.822SS**SBendtrans-98.6-17-177-62.8-176.6000113.3
244Y42.2Very low38.8Very low230 Ų230149.5 Ų149.590%0.90282%0.816SS**  trans-114.860.1-174.6-81.2-83.5000114.3
245Q41.2Very low39Very low178 Ų178153.5 Ų153.583%0.83282%0.823SS**  trans-135.541.7173.8-155.1-177.75.800113.4
246N41.9Very low38.9Very low156 Ų156152.6 Ų152.683%0.83483%0.828SS**SBendtrans-14522.3178.9-90.1-50.4000115.2
247Y48.5Very low39.2Very low224 Ų224149.8 Ų149.888%0.87882%0.824SS**  trans-140.174.4177.4-96.2-86.5000113.2
248M39.7Very low39.7Very low186 Ų186151.8 Ų151.892%0.91683%0.827SS**SBendtrans-154.1142.5143.9-97-56.1100.100108.9
249G35.7Very low40.1Very low75 Ų75152.2 Ų152.277%0.77383%0.827SS**  trans-62.4151.1-148.600000118.1
250N33.1Very low40.2Very low163 Ų163146.5 Ų146.587%0.87282%0.819SS**  trans-136.3118.4153.5-151.391000110.3
251S41.3Very low40.2Very low103 Ų103148.4 Ų148.472%0.7282%0.823SS**  trans-68.9146.2178.9-50.20000111.6
252F38Very low40.2Very low211 Ų211152 Ų15293%0.92583%0.83SS**  trans14.8113.5163.2-75.4-91000119.7
253S35.8Very low39.7Very low125 Ų125155.3 Ų155.387%0.87483%0.832SS**  -155.3149.9122.1-164.70000110.9
254G39Very low39.4Very low60 Ų60154 Ų15462%0.61983%0.831SS**  trans-101.7-178.8-179.200000113.9
255Y37.3Very low38.9Very low218 Ų218150 Ų15086%0.85583%0.826SS**  trans67.889.1174.2-72.5-87.5000117.6
256S32.1Very low38.7Very low127 Ų127152.1 Ų152.189%0.88883%0.826SS**PPolyproline II helixtrans-75.9125152.3-72.80000110.8
257H37.2Very low38.3Very low174 Ų174149.6 Ų149.681%0.80682%0.821SS**PPolyproline II helixtrans-78.3151.6162-73.9-95.3000110.7
258S39.7Very low37.5Very low115 Ų115144.3 Ų144.380%0.80482%0.817SS**PPolyproline II helixtrans-75145.7179.1-58.60000111.9
259P45.7Very low37.2Very low119 Ų119139.8 Ų139.877%0.77380%0.803SS**PPolyproline II helixtrans-78.5150.3176.732.9-34.7000111.9
260P43.4Very low37.1Very low120 Ų120143.6 Ų143.678%0.77981%0.806SS**PPolyproline II helixtrans-79154.5178.432.7-34.9000112.8
261L42.9Very low37Very low172 Ų172141 Ų14190%0.90180%0.8SS**PPolyproline II helixtrans-68.8134.8171.4-67166.2000110.8
262L40.7Very low37.3Very low162 Ų162142.3 Ų142.385%0.84881%0.806SS**  trans-130.8156.6160.3-79.5-179.5000111.5
263Q34.6Very low37.3Very low185 Ų185143.1 Ų143.186%0.86480%0.803SS**  trans-86.8156.5-154.8-65.8161-70.700114.1
264V38.3Very low37.7Very low131 Ų131143.9 Ų143.979%0.79480%0.803SS**  trans-64.5132.6170.2169.50000111
265N31.6Very low37.9Very low147 Ų147145.3 Ų145.379%0.78680%0.803SS**  trans-159.4114.3143.7-104.4-32.2000114.3
266R37Very low38Very low221 Ų221143.1 Ų143.183%0.83480%0.801SS**  trans43.5118.3140.4-80.1-171.9175-135.5-0.9123
267S32.2Very low38.5Very low104 Ų104144 Ų14473%0.72780%0.801SS**  118.9144113.3-75.60000120
268S32.8Very low38.5Very low113 Ų113143 Ų14379%0.7980%0.802SS**  trans73.3139.9149.9-168.40000118.3
269S34Very low38.8Very low90 Ų90145.3 Ų145.363%0.62981%0.805SS**  cis-166.8179.1-17.253.50000110.7
270N32.6Very low38.5Very low156 Ų156142.8 Ų142.883%0.83480%0.801SS**  trans79121158.3-68.23.7000121.6
271S31.9Very low38.4Very low108 Ų108143.7 Ų143.776%0.75580%0.803SS**  trans-76.3-177.9159-46.50000111.6
272P47.8Very low38.7Very low130 Ų130141.9 Ų141.984%0.84480%0.799SS**  -130.7166.699.537.4-30.7000115
273R36.1Very low38.8Very low228 Ų228137.8 Ų137.886%0.8680%0.796SS**  trans-77161.1174.6-60163.2106.496.7-8110.8
274T44.3Very low39.2Very low142 Ų142138.2 Ų138.287%0.87180%0.795SS**  trans-122.4116.6143.151.80000109.6
275S43Very low39.4Very low89 Ų89137.8 Ų137.862%0.62280%0.798SS**  trans-58.5129.2162440000110.4
276E41.3Very low40.1Very low172 Ų172136.2 Ų136.280%0.80480%0.798SS**  95.69967.594.2-154.635.800113.8
277T41.9Very low40.5Very low145 Ų145133.9 Ų133.989%0.8980%0.803SS**  trans-173.8148.7159.141.50000105.4
278D37.3Very low41.1Very low154 Ų154131.3 Ų131.382%0.82479%0.793SS**  cis-152.9162.2-20.4-179.724.8000105.9
279D46.3Very low41.7Very low164 Ų164133.7 Ų133.788%0.87779%0.791SS**  trans-69.8136.4-171.9-91.2-63.6000114
280G38.4Very low42.4Very low66 Ų66136.4 Ų136.468%0.6880%0.799SS**  trans-174.694.5179.200000118.2
281V42.1Very low43.5Very low138 Ų138135.9 Ų135.984%0.83679%0.792SS**  trans63.3105149.3179.60000119G283V281-G283 PolarHBondContact O-N 2.69Å
282V48.5Very low44.5Very low134 Ų134138.9 Ų138.981%0.81279%0.793SS**  trans1295.4136.7-170.30000117
283G42.2Very low44.4Very low76 Ų76140.9 Ų140.978%0.78479%0.792SS**  trans-124110.2163.100000110.5V281V281-G283 PolarHBondContact O-N 2.69Å
284K43.3Very low44.8Very low194 Ų194136 Ų13684%0.84379%0.787SS**  trans-69.6131.8179.5-66.7173.2179.2175.10110.1S286K284-S286 PolarHBondContact O-N 2.72Å
285S42.4Very low44.8Very low123 Ų123135 Ų13586%0.8678%0.783SS**  trans-58.4115.716355.70000109.8
286S46.6Very low44.9Very low113 Ų113140.3 Ų140.379%0.7980%0.795SS**  trans-125.780.4166.7-171.60000108.2K284 G288K284-S286 PolarHBondContact O-N 2.72Å; S286-G288 PolarHBondContact O-N 3.11Å
287D46.6Very low45.2Very low172 Ų172134.6 Ų134.692%0.9278%0.782SS**  trans-6596.7168.4-175.930.5000107.8
288G44.3Very low45.6Very low51 Ų51133.4 Ų133.453%0.52678%0.777SS.*  trans-106.4111.4-169.900000112.5S286S286-G288 PolarHBondContact O-N 3.11Å
289E44.3Very low45.6Very low162 Ų162133.7 Ų133.776%0.75778%0.776SS**  trans5371.8139.4-49.4-73.498.500117E291E289-E291 PolarHBondContact O-N 2.96Å
290D48.8Very low45Very low147 Ų147134 Ų13479%0.78677%0.773SS**  trans-74.960.9152.9-175.825.8000110.1Q292D290-Q292 PolarHBondContact O-N 3.34Å
291E55.9Low44.8Very low146 Ų146135.7 Ų135.768%0.68277%0.774SS**  trans-8391.9164.3-75.3-135142.200108.9E289 Q293E289-E291 PolarHBondContact O-N 2.96Å; E291-Q293 VanDerWaalsContact C-N 3.33Å; E291-Q293 PolarHBondContact O-N 2.95Å
292Q53.3Low44.7Very low170 Ų170135.2 Ų135.279%0.79477%0.774SS**  trans-59.497.8163.1-78.9-167.4-17.400109.9D290 V294D290-Q292 PolarHBondContact O-N 3.34Å; Q292-V294 PolarHBondContact O-N 3.42Å
293Q45.5Very low44.1Very low173 Ų173134.6 Ų134.681%0.80877%0.77SS**  trans-63.3103.5174.9-68.7176.7600109.6E291 P295E291-Q293 VanDerWaalsContact C-N 3.33Å; E291-Q293 PolarHBondContact O-N 2.95Å; Q293-P295 WeakPolarHBondContact O-CD 3.25Å
294V44.9Very low44Very low124 Ų124140.1 Ų140.175%0.75278%0.775SS**  trans-59.6123.7165.7-178.10000107.5Q292 K296Q292-V294 PolarHBondContact O-N 3.42Å; V294-K296 PolarHBondContact O-N 3.26Å
295P43.2Very low43.6Very low122 Ų122138.8 Ų138.879%0.79278%0.776SS**  trans-55.3115.2179.4-28.236.1000110.9Q293 G297Q293-P295 WeakPolarHBondContact O-CD 3.25Å; P295-G297 PolarHBondContact O-N 3.14Å; P295-G297 VanDerWaalsContact O-N 3.15Å
296K45.9Very low43.1Very low200 Ų200142.3 Ų142.387%0.8778%0.776SS**  trans-70.7111177-69.4-177.1-179.9175.40108.2V294V294-K296 PolarHBondContact O-N 3.26Å
297G46.9Very low42.7Very low52 Ų52145.6 Ų145.654%0.53678%0.779SS.*  trans-59.9158174.500000112.1P295 I299P295-G297 PolarHBondContact O-N 3.14Å; P295-G297 VanDerWaalsContact O-N 3.15Å; G297-I299 PolarHBondContact O-N 3.31Å
298P50.2Low41.9Very low120 Ų120144.1 Ų144.178%0.77978%0.776SS**  trans-56125.4-175.6-26.735.6000113.1H300P298-H300 PolarHBondContact O-N 2.89Å
299I37.3Very low41.4Very low160 Ų160150.1 Ų150.182%0.82179%0.79SS**  trans-84.6108.3175.6-51.8172.4000107.7G297G297-I299 PolarHBondContact O-N 3.31Å
300H33.8Very low40.7Very low172 Ų172146.8 Ų146.880%0.79679%0.79SS**PPolyproline II helixtrans-85.9136.2170.2-78.2-84.5000111.1P298P298-H300 PolarHBondContact O-N 2.89Å
301S34.6Very low39.9Very low100 Ų100145.9 Ų145.970%0.69979%0.79SS**PPolyproline II helixtrans-73.6156.5176.647.40000112.3
302P39.3Very low39.5Very low129 Ų129145.5 Ų145.584%0.83880%0.797SS**PPolyproline II helixtrans-79.2126.9176.331.8-32.4000110.8
303V36.1Very low38.5Very low121 Ų121143.5 Ų143.573%0.73380%0.796SS**  trans-114.5116161.7174.40000107.3L305V303-L305 PolarHBondContact O-N 3.21Å
304E41.2Very low38.6Very low192 Ų192144.6 Ų144.690%0.89780%0.798SS**  trans-65.5128.9170.7-68.3-179.2116.600110.2
305L34.7Very low38.3Very low166 Ų166144.4 Ų144.487%0.86980%0.797SS**  trans-134.5142.4162.2-97.1168.6000110.8V303V303-L305 PolarHBondContact O-N 3.21Å
306K32.3Very low38.2Very low197 Ų197144 Ų14486%0.85780%0.795SS**  trans-83.3153.3-154.4-64.5174.6177.9176.20113.4
307H36.6Very low38.1Very low182 Ų182142.7 Ų142.784%0.84379%0.791SS**  trans-57.1136.9174.2-64.7-75.6000113.6
308V30Very low38.4Very low141 Ų141146.5 Ų146.586%0.85580%0.804SS**  trans-137.3136.7156.4-178.90000108
309H35.2Very low38.3Very low177 Ų177146.1 Ų146.182%0.81980%0.796SS**  trans-98.9132.5-176.1-67.1-95.7000112.6
310A29.1Very low39.3Very low92 Ų92141.3 Ų141.376%0.7678%0.776SS**  trans168.1148.9155.200000108
311T32.6Very low40.6Very low128 Ų128137.2 Ų137.279%0.78577%0.767SS**  cis-153.4147.4-12.113.70000106.7V313T311-V313 PolarHBondContact O-N 3.46Å
312V45.8Very low42.2Very low138 Ų138136.6 Ų136.684%0.83677%0.768SS**  trans-73.5112.8-177.3175.50000111.2
313V34.3Very low43.8Very low127 Ų127134 Ų13477%0.7775%0.746SS**  trans-110.2121.8162.2178.50000108.6T311 V315T311-V313 PolarHBondContact O-N 3.46Å; V313-V315 PolarHBondContact O-N 3.37Å
314K47Very low46Very low196 Ų196132.3 Ų132.385%0.85274%0.738SS**  trans-94.287.6-165.5-156.8167.4-173.5174.60110.6
315V39.2Very low47.5Very low120 Ų120129.1 Ų129.173%0.72772%0.723SS**  trans-79.7135.6173.2-177.20000109.4V313 E317V313-V315 PolarHBondContact O-N 3.37Å; V315-E317 PolarHBondContact O-N 2.81Å
316P40.6Very low49.6Very low115 Ų115129.8 Ų129.875%0.74772%0.719SS**  trans-58126.7-177.1-27.536.1000113.8V318P316-V318 PolarHBondContact O-N 2.96Å
317E43.4Very low51.5Low171 Ų171124.7 Ų124.780%0.79970%0.701SS**  trans-73.1111.6-178.8-169.4176.2-169.900110.7V315 N319V315-E317 PolarHBondContact O-N 2.81Å; E317-N319 PolarHBondContact O-N 2.92Å; E317-N319 PolarHBondContact O-OD1 3.35Å
318V53.2Low53.4Low132 Ų132120.2 Ų120.280%0.868%0.676SS**  trans-81.3100.7172.4-174.50000108.8P316 S320P316-V318 PolarHBondContact O-N 2.96Å; V318-S320 PolarHBondContact O-N 3.28Å; V318-S320 PolarHBondContact O-OG 3.01Å
319N49Very low55.5Low113 Ų113118.3 Ų118.360%0.60466%0.66SS**  trans-45.784.6-169-57.2-31.1000116E317 S321 A322E317-N319 PolarHBondContact O-N 2.92Å; E317-N319 PolarHBondContact O-OD1 3.35Å; N319-S321 PolarHBondContact O-N 3.44Å; N319-A322 PolarHBondContact O-N 2.98Å
320S56.9Low57.3Low59 Ų59116.4 Ų116.441%0.41365%0.65SS.*THydrogen-bonded Turntrans-69.22173.5-67.60000114V318 R328V318-S320 PolarHBondContact O-N 3.28Å; V318-S320 PolarHBondContact O-OG 3.01Å; S320-R328 PolarHBondContact O-NE 3.3Å
321S62.2Low59.1Low85 Ų85113.8 Ų113.859%0.59463%0.627SS**THydrogen-bonded Turntrans-71.7-33.717562.90000112.6N319 L323 R328N319-S321 PolarHBondContact O-N 3.44Å; S321-L323 PolarHBondContact O-N 3.5Å; S321-R328 PolarHBondContact O-NH2 3.22Å
322A67.3Low60.6Low88 Ų88115.7 Ų115.773%0.72763%0.625SS**SBendtrans-69.8-16.6-177.200000114.1N319N319-A322 PolarHBondContact O-N 2.98Å
323L73.8Confident61.5Low73 Ų73112.7 Ų112.738%0.38262%0.615SS.*SBendtrans-77.1139.5178.7-68176.6000112S321 H325 L327 R328S321-L323 PolarHBondContact O-N 3.5Å; L323-H325 PolarHBondContact O-N 3.31Å; L323-L327 HydrophobicContact CB-CB 4.26Å; L323-R328 PolarHBondContact O-NH2 3Å; L323-R328 VanDerWaalsContact O-NH2 3.13Å
324P82.3Confident62.5Low87 Ų87113.4 Ų113.457%0.56561%0.611SS**  trans-48.5139.6169.2-28.633.8000112K326 L327 R328P324-K326 PolarHBondContact O-N 3.34Å; P324-L327 HydrophobicContact CG-CD1 4.46Å; P324-L327 WeakPolarHBondContact O-CA 3.43Å; P324-L327 WeakPolarHBondContact O-CB 3.46Å; P324-L327 PolarHBondContact O-N 3.3Å; P324-R328 PolarHBondContact O-N 3.46Å; P324-R328 VanDerWaalsContact O-N 3.14Å
325H72Confident62.8Low125 Ų125111.7 Ų111.758%0.57961%0.606SS**Hα-helixtrans-49.3-38.2-169.3-17868.2000114.7L323 L327 R328 I329L323-H325 PolarHBondContact O-N 3.31Å; H325-L327 PolarHBondContact O-N 3.41Å; H325-R328 WeakPolarHBondContact O-CB 3.35Å; H325-R328 PolarHBondContact O-N 3.03Å; H325-I329 WeakPolarHBondContact O-CG1 3.3Å; H325-I329 PolarHBondContact O-N 3.2Å; H325-I329 VanDerWaalsContact O-N 3.12Å
326K78Confident63.3Low180 Ų180113 Ų11378%0.78361%0.608SS**Hα-helixtrans-62.3-39.3175.2-70.6-167.9172.8-168.10113.8P324 K330P324-K326 PolarHBondContact O-N 3.34Å; K326-K330 PolarHBondContact O-N 3.19Å
327L72.6Confident63.7Low90 Ų90114.8 Ų114.847%0.47160%0.604SS.*Hα-helixtrans-73.9-32.9177.1-65179.9000111.3L323 P324 H325 K330 A331L323-L327 HydrophobicContact CB-CB 4.26Å; P324-L327 HydrophobicContact CG-CD1 4.46Å; P324-L327 WeakPolarHBondContact O-CA 3.43Å; P324-L327 WeakPolarHBondContact O-CB 3.46Å; P324-L327 PolarHBondContact O-N 3.3Å; H325-L327 PolarHBondContact O-N 3.41Å; L327-K330 PolarHBondContact O-N 3.26Å; L327-A331 WeakPolarHBondContact O-CB 3.31Å; L327-A331 PolarHBondContact O-N 2.96Å
328R76.7Confident63.5Low88 Ų88113.5 Ų113.533%0.33261%0.607SS.*Hα-helixtrans-62.1-41.2173.3-165.6-175.1-56.1143.66.5112.6S320 S321 L323 P324 H325 K332S320-R328 PolarHBondContact O-NE 3.3Å; S321-R328 PolarHBondContact O-NH2 3.22Å; L323-R328 PolarHBondContact O-NH2 3Å; L323-R328 VanDerWaalsContact O-NH2 3.13Å; P324-R328 PolarHBondContact O-N 3.46Å; P324-R328 VanDerWaalsContact O-N 3.14Å; H325-R328 WeakPolarHBondContact O-CB 3.35Å; H325-R328 PolarHBondContact O-N 3.03Å; R328-K332 PolarHBondContact O-N 2.85Å; R328-K332 VanDerWaalsContact O-N 3.14Å
329I74.1Confident62.9Low100 Ų100113.8 Ų113.851%0.51360%0.6SS.*Hα-helixtrans-63.3-46.5174.1-65.4167.1000110.2H325 A331 K332 A333H325-I329 WeakPolarHBondContact O-CG1 3.3Å; H325-I329 PolarHBondContact O-N 3.2Å; H325-I329 VanDerWaalsContact O-N 3.12Å; I329-A331 PolarHBondContact O-N 2.95Å; I329-K332 PolarHBondContact O-N 3.3Å; I329-A333 PolarHBondContact O-N 3.47Å; I329-A333 VanDerWaalsContact O-N 3.14Å
330K73.1Confident62.4Low138 Ų138112.6 Ų112.660%0.661%0.606SS**Hα-helixtrans-62-42.4179-165.7-179.4180-173.10112.4K326 L327 A333 M334K326-K330 PolarHBondContact O-N 3.19Å; L327-K330 PolarHBondContact O-N 3.26Å; K330-A333 PolarHBondContact O-N 3.15Å; K330-M334 PolarHBondContact O-N 3.5Å
331A67.4Low61.2Low36 Ų36119.3 Ų119.330%0.29863%0.628SS.*Hα-helixtrans-63.9-39.6177.800000112.6L327 I329 A333 M334L327-A331 WeakPolarHBondContact O-CB 3.31Å; L327-A331 PolarHBondContact O-N 2.96Å; I329-A331 PolarHBondContact O-N 2.95Å; A331-A333 VanDerWaalsContact C-N 3.32Å; A331-A333 PolarHBondContact O-N 2.97Å; A331-M334 PolarHBondContact O-N 3.27Å
332K64.6Low60Low168 Ų168122.1 Ų122.173%0.7364%0.636SS**Hα-helixtrans-66.5-31.1174.3-80.2-164.6166.8-163.50113.4R328 I329 M334R328-K332 PolarHBondContact O-N 2.85Å; R328-K332 VanDerWaalsContact O-N 3.14Å; I329-K332 PolarHBondContact O-N 3.3Å; K332-M334 VanDerWaalsContact C-N 3.31Å; K332-M334 PolarHBondContact O-N 3.27Å
333A63.5Low58.7Low75 Ų75125.6 Ų125.662%0.6264%0.643SS**Hα-helixtrans-76.6-12.9179.600000114.3I329 K330 A331I329-A333 PolarHBondContact O-N 3.47Å; I329-A333 VanDerWaalsContact O-N 3.14Å; K330-A333 PolarHBondContact O-N 3.15Å; A331-A333 VanDerWaalsContact C-N 3.32Å; A331-A333 PolarHBondContact O-N 2.97Å
334M55.6Low57Low143 Ų143130.5 Ų130.570%0.70466%0.664SS**THydrogen-bonded Turntrans-96.2-4.5-177.9-7118066.900114.3K330 A331 K332 I336K330-M334 PolarHBondContact O-N 3.5Å; A331-M334 PolarHBondContact O-N 3.27Å; K332-M334 VanDerWaalsContact C-N 3.31Å; K332-M334 PolarHBondContact O-N 3.27Å; M334-I336 VanDerWaalsContact C-N 3.28Å; M334-I336 PolarHBondContact O-N 3.49Å; M334-I336 VanDerWaalsContact O-N 3.09Å
335Q54.2Low54.7Low160 Ų160136.5 Ų136.575%0.74868%0.681SS**  trans-86.660.5179.4-64.6-174.611.200111.8
336I49.7Very low52.7Low148 Ų148139 Ų13976%0.75969%0.693SS**  trans-134.2118.7171.8-59.1-178.2000109.9M334M334-I336 VanDerWaalsContact C-N 3.28Å; M334-I336 PolarHBondContact O-N 3.49Å; M334-I336 VanDerWaalsContact O-N 3.09Å
337K47.2Very low50.5Low151 Ų151135 Ų13566%0.65769%0.694SS**  trans64.587.6164.4-160.7158.5-174.6163.40118.1E339K337-E339 WeakPolarHBondContact CE-OE1 3.39Å; K337-E339 WeakPolarHBondContact CE-OE2 3.31Å; K337-E339 IonicContact NZ-OE1 3.46Å; K337-E339 PolarHBondContact NZ-OE1 2.75Å; K337-E339 IonicContact NZ-OE2 3.23Å; K337-E339 PolarHBondContact NZ-OE2 2.87Å
338V39.5Very low48.9Very low145 Ų145136.5 Ų136.588%0.87971%0.707SS**  trans-109.4108.4142.6174.70000106.2
339E41.4Very low46.8Very low138 Ų138141.8 Ų141.865%0.64574%0.735SS**  trans-81.1132166.2-93.2166.1-178.700108.3K337K337-E339 WeakPolarHBondContact CE-OE1 3.39Å; K337-E339 WeakPolarHBondContact CE-OE2 3.31Å; K337-E339 IonicContact NZ-OE1 3.46Å; K337-E339 PolarHBondContact NZ-OE1 2.75Å; K337-E339 IonicContact NZ-OE2 3.23Å; K337-E339 PolarHBondContact NZ-OE2 2.87Å
340A38.6Very low44.9Very low87 Ų87146.3 Ų146.372%0.71975%0.751SS**  trans-82.8132.217300000109.6
341F32Very low43Very low200 Ų200147.5 Ų147.588%0.87776%0.763SS**  trans-101.7109.7154.5-98.2-87.5000107.1
342D37.3Very low41.1Very low145 Ų145151.6 Ų151.678%0.77579%0.79SS**  trans-65.9133.6159.9-74.7-46.1000108.3
343N38.9Very low39.5Very low161 Ų161149 Ų14986%0.86179%0.792SS**  trans-147.7103.1156.1-145.265.8000108.3
344E38.3Very low38.7Very low176 Ų176150.9 Ų150.982%0.82280%0.799SS**  trans-63.1131.3179.6-55.6172.1146.900110
345F32.9Very low37.6Very low212 Ų212152.1 Ų152.193%0.9381%0.806SS**  trans-155.8127141-129.9-86.2000111.6
346E31.6Very low36.6Very low177 Ų177150.7 Ų150.783%0.82780%0.804SS**  trans-98124-172.9-179.9178.6-16700110.4
347A30.9Very low35.8Very low97 Ų97151.8 Ų151.880%0.80281%0.808SS**  trans-156.698.3164.300000111.7
348T38.5Very low35.2Very low122 Ų122150.1 Ų150.175%0.74881%0.81SS**  trans-43136171.1530000116
349Q32.8Very low35Very low199 Ų199149.1 Ų149.193%0.9381%0.81SS**  -161.1138.6124.2-110.1170.844.800112.2
350K33.8Very low34.9Very low194 Ų194152.2 Ų152.284%0.84382%0.821SS**  trans-100.2139.1-176.4-78.4-178.4175.9177.10111.7
351L33.8Very low34.6Very low164 Ų164160 Ų16086%0.85983%0.832SS**  trans40.4122.3135.8-55.7169.8000119.1
352S28.9Very low34.4Very low122 Ų122157.5 Ų157.585%0.85382%0.823SS**  -163.1153.6106.861.70000113.2
353S29.3Very low34.2Very low112 Ų112158.4 Ų158.478%0.78382%0.82SS**  trans-152.2175.3162.464.10000106.9
354P47.9Very low33.8Very low116 Ų116157.7 Ų157.775%0.75381%0.812SS**  -117.4166.2-72.437.1-26.4000110.6
355I32.5Very low33.4Very low168 Ų168156 Ų15686%0.86281%0.808SS**  trans-145.4134.3162.3-112.7151.4000112.5
356D33.2Very low33.2Very low130 Ų130154.7 Ų154.770%0.69580%0.804SS**  trans-92.6138.4175.6174.422.2000108.8
357M31.9Very low33.3Very low172 Ų172154.8 Ų154.885%0.84780%0.802SS**  trans-151.3110.4163-87.3-53167.800112
358T34.8Very low33.4Very low115 Ų115158.8 Ų158.871%0.70680%0.804SS**  trans-70.8147.4161.661.30000111.3
359S36.1Very low32.9Very low125 Ų125158.8 Ų158.887%0.87481%0.808SS**  trans-161.9126.4153.3-90.40000113.5
360K37.8Very low32.9Very low202 Ų202153.2 Ų153.288%0.87880%0.797SS**  trans-67.3150.4166.5-71.7174.2172176.20111
361R34.3Very low33.7Very low251 Ų251149.8 Ų149.895%0.94779%0.794SS**  trans-149.4156.5137.3-123.7177.2-81.4172.8-5111
362H27.1Very low33.6Very low147 Ų147146.6 Ų146.668%0.68179%0.785SS**  trans-141.3168.7-167173.1-87.3000108.6
363F33Very low33.8Very low164 Ų164148.2 Ų148.272%0.71978%0.781SS**  trans81.9136.4-175.9-66.3-74.5000114.9
364E30Very low34.1Very low146 Ų146149.2 Ų149.268%0.68278%0.783SS**  cis-159.5166.8-9.8-148175.2156.400112.5
365L31.3Very low33.4Very low141 Ų141151.1 Ų151.174%0.73878%0.781SS**  trans24.2122.7151.6-105.757.7000121.2
366E26.8Very low33.3Very low184 Ų184148.9 Ų148.986%0.8678%0.78SS**  -150.8154.5110.2-144.1176.7169.900110.6
367K33.8Very low33.4Very low180 Ų180148 Ų14878%0.78379%0.785SS**  trans-154.397.7-160.1179.9-159.6-175.8-178.40113.2
368H32.8Very low33.6Very low181 Ų181147.8 Ų147.884%0.83879%0.786SS**  trans-143.6128.1167.4-75.4-65.9000116
369S28.1Very low33.8Very low121 Ų121149 Ų14985%0.84679%0.793SS**  trans55.7117.9151.4-133.60000123.2
370A33.4Very low34.3Very low83 Ų83147.8 Ų147.869%0.68678%0.783SS**  trans-87-168.5146.600000108.9
371P50.3Low34.2Very low122 Ų122148.4 Ų148.479%0.79279%0.786SS**  cis-141.3173.51342.9-23.8000118.5
372S31.5Very low34.6Very low96 Ų96141.3 Ų141.367%0.67177%0.774SS**  136.1127.7126-162.80000117
373M33.6Very low35.3Very low156 Ų156140.4 Ų140.477%0.76878%0.779SS**  trans55.8145.3154.2-68.616361.100118.6
374V36.9Very low35.8Very low133 Ų133139.7 Ų139.781%0.80678%0.778SS**  cis-141.5175.535.6-178.60000111.3
375H33.3Very low36.4Very low156 Ų156138.4 Ų138.472%0.72278%0.78SS**  trans-84.6166.9-159.2-62.6-102.9000120.2
376S29.7Very low37.2Very low121 Ų121137.5 Ų137.585%0.84678%0.78SS**  trans78.2148.6148.9-82.80000119.5
377S34.1Very low38.1Very low113 Ų113133.1 Ų133.179%0.7976%0.763SS**  cis-139.3160.813.953.60000115
378L36.8Very low39Very low167 Ų167131.3 Ų131.387%0.87476%0.76SS**  trans-96.7154172-77.4158.7000111.6
379T38.8Very low39.7Very low140 Ų140131 Ų13186%0.85976%0.759SS**  trans-165156.5135.116.80000110.2
380P47.1Very low40.3Very low100 Ų100131.3 Ų131.365%0.64975%0.751SS**  trans-124.6147.5-14839.5-26.3000115.7
381F35.7Very low40.8Very low215 Ų215138.1 Ų138.194%0.94376%0.759SS**  trans-154.598.5145.1-85.6-65.8000110.5
382S42.4Very low40.4Very low101 Ų101136.4 Ų136.471%0.70675%0.751SS**  trans-137.797165.2-169.90000108.6Q384S382-Q384 PolarHBondContact O-N 3.23Å; S382-Q384 VanDerWaalsContact O-N 3.16Å
383V42.9Very low41Very low129 Ų129139.7 Ų139.778%0.78276%0.76SS**  trans-77.196.3167.8177.90000106.6V385V383-V385 PolarHBondContact O-N 2.89Å; V383-V385 VanDerWaalsContact O-N 3.15Å
384Q42.5Very low41Very low149 Ų149141 Ų14170%0.69676%0.761SS**  trans-69.7106.6172.8-66.5-175.3-7.600108.8S382 T386S382-Q384 PolarHBondContact O-N 3.23Å; S382-Q384 VanDerWaalsContact O-N 3.16Å; Q384-T386 VanDerWaalsContact C-N 3.27Å; Q384-T386 HydrophobicContact CB-CG2 4.26Å; Q384-T386 PolarHBondContact O-N 3.28Å
385V42.8Very low41.1Very low119 Ų119139.1 Ų139.172%0.72175%0.754SS**  trans-77.382.7170.7-177.20000108.5V383 N387V383-V385 PolarHBondContact O-N 2.89Å; V383-V385 VanDerWaalsContact O-N 3.15Å; V385-N387 PolarHBondContact O-N 3.44Å
386T47.7Very low41Very low122 Ų122140.4 Ų140.475%0.74876%0.76SS**  trans-94.170.8173.552.50000111.1Q384Q384-T386 VanDerWaalsContact C-N 3.27Å; Q384-T386 HydrophobicContact CB-CG2 4.26Å; Q384-T386 PolarHBondContact O-N 3.28Å
387N45.7Very low41.1Very low91 Ų91141.9 Ų141.949%0.48775%0.753SS.*  trans-153.8110.5148.6-172.71.4000110.4V385 Q389 D390V385-N387 PolarHBondContact O-N 3.44Å; N387-Q389 PolarHBondContact OD1-N 3.45Å; N387-D390 PolarHBondContact ND2-OD2 3.25Å
388I53.9Low41Very low143 Ų143148.5 Ų148.573%0.73376%0.761SS**  trans-133.324.9167.9-32.5178.1000109.7
389Q46.7Very low40.9Very low175 Ų175149.2 Ų149.282%0.81876%0.759SS**  trans-96-10.2-176.1-85.4168.4-30.200113.9N387N387-Q389 PolarHBondContact OD1-N 3.45Å
390D41.2Very low40.6Very low127 Ų127151 Ų15168%0.67976%0.758SS**SBendtrans-87.1-7.8178-61.7-44.5000114.4N387 S392N387-D390 PolarHBondContact ND2-OD2 3.25Å; D390-S392 PolarHBondContact O-N 2.98Å; D390-S392 VanDerWaalsContact O-N 3.09Å
391W43.3Very low39.8Very low225 Ų225156.2 Ų156.285%0.85277%0.77SS**  trans-86.753.6174.9-78.266.6000112.2L393W391-L393 PolarHBondContact O-N 2.95Å
392S41.8Very low39.6Very low87 Ų87153.2 Ų153.261%0.60876%0.76SS**  trans-74112.617178.30000110.3D390 K394D390-S392 PolarHBondContact O-N 2.98Å; D390-S392 VanDerWaalsContact O-N 3.09Å; S392-K394 PolarHBondContact O-N 3.34Å
393L44.2Very low39.1Very low165 Ų165155.1 Ų155.186%0.86476%0.761SS**  trans-62.7105168.9-91.281.5000109.4W391W391-L393 PolarHBondContact O-N 2.95Å
394K33.3Very low38.5Very low183 Ų183155.1 Ų155.180%0.79677%0.767SS**  trans-91.393.2158.7-73.2-71.3-177.41750108.7S392 E396S392-K394 PolarHBondContact O-N 3.34Å; K394-E396 PolarHBondContact O-N 3Å; K394-E396 VanDerWaalsContact O-N 3.15Å
395S39.3Very low37.8Very low93 Ų93151.9 Ų151.965%0.6577%0.773SS**  trans-70.2100164177.10000108.3H397S395-H397 PolarHBondContact O-N 3.44Å; S395-H397 VanDerWaalsContact O-N 3.1Å
396E31.2Very low37.3Very low183 Ų183155.4 Ų155.486%0.85578%0.779SS**  trans-72.7100.3170.1-76.9-166.8139.700109.7K394K394-E396 PolarHBondContact O-N 3Å; K394-E396 VanDerWaalsContact O-N 3.15Å
397H32.6Very low36.5Very low152 Ų152156.3 Ų156.370%0.70478%0.784SS**  trans-66.3134.2163-87.882.3000109.8S395 H399S395-H397 PolarHBondContact O-N 3.44Å; S395-H397 VanDerWaalsContact O-N 3.1Å; H397-H399 PolarHBondContact O-N 3.38Å
398W30.5Very low36Very low253 Ų253160 Ų16096%0.95880%0.799SS**  trans-56.2117.2173.2-73.582.9000111.6
399H34.5Very low34.9Very low181 Ų181160.8 Ų160.884%0.83880%0.804SS**  trans-100.7103.2166.8-85.7-59.5000111.4H397H397-H399 PolarHBondContact O-N 3.38Å
400Q34.4Very low34.1Very low178 Ų178156.9 Ų156.983%0.83280%0.797SS**  trans-66.4127.5163.2-179.3178.22.700109.4
401K30Very low33.7Very low209 Ų209161 Ų16191%0.90981%0.809SS**  trans-145.1122167-145171.8-171.9177.80111.8
402E30.5Very low33.2Very low153 Ų153159.5 Ų159.572%0.71581%0.808SS**  trans-86.3158-178.3-99.1-175.213300113.4
403L33.2Very low32.7Very low141 Ų141162 Ų16274%0.73882%0.82SS**  trans60.3111.1145.4-68.6163.1000119.9
404S28.8Very low31.9Very low128 Ų128157.7 Ų157.790%0.89582%0.815SS**  144.8139.4102.563.30000113.8
405G27.5Very low31.7Very low81 Ų81155.4 Ų155.484%0.83582%0.816SS**  trans168.6121.8177.500000110.8
406K34.1Very low31.4Very low194 Ų194157.7 Ų157.784%0.84383%0.826SS**  trans-140.6115.5-160.1175.6-173.9179.2-178.70112.2
407T30.9Very low31.4Very low140 Ų140156.3 Ų156.386%0.85982%0.82SS**  trans-165.4108.5166.915.90000107.6
408Q35.3Very low31.4Very low169 Ų169158.1 Ų158.179%0.7983%0.831SS**  61.197.870.7-71.2-139.3-70.100116.4
409N30.3Very low31.4Very low159 Ų159154.5 Ų154.585%0.8582%0.822SS**  trans178.9119.7130.1-89.7-23.1000107
410S29.2Very low31.2Very low94 Ų94154 Ų15466%0.65783%0.825SS**  cis77.984.848.1-172.70000114.7
411F32.9Very low31.1Very low212 Ų212150.7 Ų150.793%0.9382%0.822SS**  trans-143.4133.8143-87-73.1000110.8
412K32.8Very low31.1Very low194 Ų194143.8 Ų143.884%0.84381%0.81SS**  trans-90.4164.6162.6-49.2173.1-179.7176.10106.5
413T30.7Very low31.1Very low140 Ų140147.6 Ų147.686%0.85982%0.819SS**  cis-164.5154.230.8-63.40000107.5
414G27.7Very low31.2Very low74 Ų74150.7 Ų150.776%0.76383%0.827SS**  trans166.595.4166.200000114.5
415V30.2Very low31.5Very low135 Ų135151.3 Ų151.382%0.81883%0.825SS**  trans-85.1126.2179.9172.70000111
416V33.1Very low32Very low142 Ų142153.1 Ų153.186%0.86183%0.825SS**  trans-144.8133.5133.4175.80000108
417E30.4Very low32.1Very low153 Ų153145.5 Ų145.572%0.71580%0.801SS**  trans-95.7121.5-176.9-177.9178.2-168.600110.6
418M31.9Very low32.8Very low190 Ų190144.1 Ų144.194%0.93679%0.794SS**  trans-136.8126.2156.6-95.7-63.8133.900109
419K31.3Very low33.2Very low178 Ų178144 Ų14477%0.77479%0.794SS**  trans-107.5104.1-161174.7-177.3175.7179.30110
420D30.9Very low34Very low169 Ų169142.3 Ų142.390%0.90479%0.785SS**  trans-127.7104.4164.8-112.6-20.4000110.1
421S31.5Very low34.9Very low110 Ų110144.3 Ų144.377%0.76979%0.788SS**  trans-90.1137.3161.6600000108.4
422G30.1Very low35.6Very low63 Ų63144.1 Ų144.165%0.64978%0.782SS**  cis148.3107.45.200000109.5
423Y30.5Very low36.4Very low233 Ų233140.8 Ų140.891%0.91477%0.773SS**  trans-131101.5165-104.7-90.3000108.3
424K35.9Very low37.5Very low207 Ų207142 Ų14290%0.977%0.766SS**  trans-101.5107.4173.6-75.5-74.7-173.2179.20108.7
425V33.8Very low38.7Very low140 Ų140144.1 Ų144.185%0.84876%0.756SS**  trans-96.4104.7158.6175.90000106.7
426S39.4Very low39.9Very low120 Ų120139.2 Ų139.284%0.83973%0.733SS**  trans-101.3102.9174.1-175.40000109.1
427G35.6Very low41Very low33 Ų33137.9 Ų137.934%0.3472%0.72SS.*  trans-108.3142.6166.100000110.2E429G427-E429 PolarHBondContact O-N 2.88Å; G427-E429 VanDerWaalsContact O-N 3.16Å
428P44.5Very low42.3Very low111 Ų111133.2 Ų133.272%0.72171%0.707SS**THydrogen-bonded Turntrans-67.8-12.9-173.626.9-34.8000114.7N430P428-N430 VanDerWaalsContact C-N 3.3Å; P428-N430 PolarHBondContact O-N 2.88Å
429E45.1Very low43.7Very low168 Ų168127.9 Ų127.979%0.78568%0.683SS**THydrogen-bonded Turntrans-67.8-23-172.3-61.1177.5168.900114.2G427 L431G427-E429 PolarHBondContact O-N 2.88Å; G427-E429 VanDerWaalsContact O-N 3.16Å; E429-L431 PolarHBondContact O-N 3.43Å
430N45.8Very low45.2Very low123 Ų123124.4 Ų124.466%0.65867%0.672SS**Hα-helixtrans-78.7-10.3-174.9-84.4-68.6000115.3P428P428-N430 VanDerWaalsContact C-N 3.3Å; P428-N430 PolarHBondContact O-N 2.88Å
431L49Very low47.1Very low136 Ų136120 Ų12071%0.71266%0.655SS**Hα-helixtrans-80.1-40179.6-72.2171.7000112.5E429 K434 Q435E429-L431 PolarHBondContact O-N 3.43Å; L431-K434 PolarHBondContact O-N 3.22Å; L431-Q435 PolarHBondContact O-N 3.27Å; L431-Q435 VanDerWaalsContact O-N 3.16Å
432Y47.3Very low48.7Very low208 Ų208117.5 Ų117.582%0.81664%0.64SS**Hα-helixtrans-65.5-43.5179.2-88-89.7000112.5K434 Q435 G436Y432-K434 VanDerWaalsContact C-N 3.31Å; Y432-K434 PolarHBondContact O-N 3.49Å; Y432-Q435 PolarHBondContact O-N 3.15Å; Y432-G436 PolarHBondContact O-N 3.02Å; Y432-G436 VanDerWaalsContact O-N 3.1Å
433L49.5Very low50.6Low123 Ų123120.3 Ų120.364%0.64464%0.637SS**Hα-helixtrans-61.2-40.9178.2-128.776000111.8G436 I437L433-G436 PolarHBondContact O-N 3.28Å; L433-I437 WeakPolarHBondContact O-CD1 3.33Å; L433-I437 VanDerWaalsContact O-CG1 3.3Å; L433-I437 WeakPolarHBondContact O-CG1 3.33Å; L433-I437 PolarHBondContact O-N 2.9Å
434K53.1Low52.5Low166 Ų166113 Ų11372%0.72262%0.616SS**Hα-helixtrans-72.9-34.8-176.2-156.1174.5-174.3-177.30112.7L431 Y432 A438L431-K434 PolarHBondContact O-N 3.22Å; Y432-K434 VanDerWaalsContact C-N 3.31Å; Y432-K434 PolarHBondContact O-N 3.49Å; K434-A438 PolarHBondContact O-N 2.71Å
435Q54.3Low54.2Low118 Ų118106.9 Ų106.955%0.55160%0.596SS**Hα-helixtrans-67.9-41.7172.9-168.865.347.900111.6L431 Y432 I437 A438 N439L431-Q435 PolarHBondContact O-N 3.27Å; L431-Q435 VanDerWaalsContact O-N 3.16Å; Y432-Q435 PolarHBondContact O-N 3.15Å; Q435-I437 PolarHBondContact O-N 3.27Å; Q435-A438 PolarHBondContact O-N 2.8Å; Q435-N439 PolarHBondContact NE2-OD1 3.38Å; Q435-N439 VanDerWaalsContact NE2-OD1 3.08Å; Q435-N439 PolarHBondContact O-N 3.37Å; Q435-N439 VanDerWaalsContact O-N 3.08Å; Q435-N439 PolarHBondContact O-OD1 3.34Å
436G54.4Low56Low33 Ų33103.5 Ų103.534%0.3458%0.578SS.*Hα-helixtrans-59.7-45.4177.500000113Y432 L433 A438 N439 L440Y432-G436 PolarHBondContact O-N 3.02Å; Y432-G436 VanDerWaalsContact O-N 3.1Å; L433-G436 PolarHBondContact O-N 3.28Å; G436-A438 VanDerWaalsContact C-N 3.34Å; G436-A438 PolarHBondContact O-N 3.4Å; G436-N439 PolarHBondContact O-N 2.99Å; G436-L440 WeakPolarHBondContact O-CG 3.38Å; G436-L440 PolarHBondContact O-N 3.2Å
437I57.3Low57.5Low113 Ų113102.5 Ų102.558%0.57956%0.563SS**Hα-helixtrans-63.2-38.6179.3-65161.8000111.8L433 Q435 S441L433-I437 WeakPolarHBondContact O-CD1 3.33Å; L433-I437 VanDerWaalsContact O-CG1 3.3Å; L433-I437 WeakPolarHBondContact O-CG1 3.33Å; L433-I437 PolarHBondContact O-N 2.9Å; Q435-I437 PolarHBondContact O-N 3.27Å; I437-S441 PolarHBondContact O-N 3.22Å
438A56.8Low59.1Low55 Ų55108 Ų10846%0.45558%0.578SS.*Hα-helixtrans-67.1-42.6176.900000112.2K434 Q435 G436 S441 A442K434-A438 PolarHBondContact O-N 2.71Å; Q435-A438 PolarHBondContact O-N 2.8Å; G436-A438 VanDerWaalsContact C-N 3.34Å; G436-A438 PolarHBondContact O-N 3.4Å; A438-S441 PolarHBondContact O-N 2.93Å; A438-A442 PolarHBondContact O-N 2.98Å
439N61.7Low60.3Low78 Ų78110.7 Ų110.742%0.41757%0.573SS.*Hα-helixtrans-65.2-43.9178.5-69.28.1000111.6Q435 G436 S441 A442 E443Q435-N439 PolarHBondContact NE2-OD1 3.38Å; Q435-N439 VanDerWaalsContact NE2-OD1 3.08Å; Q435-N439 PolarHBondContact O-N 3.37Å; Q435-N439 VanDerWaalsContact O-N 3.08Å; Q435-N439 PolarHBondContact O-OD1 3.34Å; G436-N439 PolarHBondContact O-N 2.99Å; N439-S441 VanDerWaalsContact C-N 3.27Å; N439-S441 PolarHBondContact O-N 2.95Å; N439-A442 PolarHBondContact O-N 3.27Å; N439-A442 VanDerWaalsContact O-N 3.08Å; N439-E443 PolarHBondContact O-N 2.88Å
440L63Low61.5Low106 Ų106107.4 Ų107.456%0.55556%0.561SS**Hα-helixtrans-58-38175.3-72.1168.8000112.3G436 E443 V444G436-L440 WeakPolarHBondContact O-CG 3.38Å; G436-L440 PolarHBondContact O-N 3.2Å; L440-E443 PolarHBondContact O-N 3.42Å; L440-V444 WeakPolarHBondContact O-CB 3.49Å; L440-V444 VanDerWaalsContact O-CG2 3.28Å; L440-V444 WeakPolarHBondContact O-CG2 3.43Å; L440-V444 PolarHBondContact O-N 2.95Å
441S70.1Confident62.5Low76 Ų76107.2 Ų107.253%0.53156%0.558SS.*Hα-helixtrans-64.7-40.8175.9-170.50000112.1I437 A438 N439 V445I437-S441 PolarHBondContact O-N 3.22Å; A438-S441 PolarHBondContact O-N 2.93Å; N439-S441 VanDerWaalsContact C-N 3.27Å; N439-S441 PolarHBondContact O-N 2.95Å; S441-V445 WeakPolarHBondContact O-CB 3.43Å; S441-V445 VanDerWaalsContact O-CG2 3.31Å; S441-V445 WeakPolarHBondContact O-CG2 3.14Å; S441-V445 PolarHBondContact O-N 2.91Å
442A66.5Low63.3Low57 Ų57104.9 Ų104.947%0.47156%0.559SS.*Hα-helixtrans-68.5-38.8176.800000112.6A438 N439 S446A438-A442 PolarHBondContact O-N 2.98Å; N439-A442 PolarHBondContact O-N 3.27Å; N439-A442 VanDerWaalsContact O-N 3.08Å; A442-S446 WeakPolarHBondContact O-CB 3.49Å; A442-S446 PolarHBondContact O-N 2.74Å; A442-S446 PolarHBondContact O-OG 2.9Å
443E68.7Low63.9Low123 Ų12399.5 Ų99.558%0.57555%0.548SS*.Hα-helixtrans-64.9-45.4174.7-73.8172.9-175.300111.7N439 L440 V445 S446 L447N439-E443 PolarHBondContact O-N 2.88Å; L440-E443 PolarHBondContact O-N 3.42Å; E443-V445 PolarHBondContact O-N 2.98Å; E443-S446 PolarHBondContact O-N 2.83Å; E443-S446 VanDerWaalsContact O-N 3.16Å; E443-L447 WeakPolarHBondContact O-CB 3.49Å; E443-L447 PolarHBondContact O-N 3.17Å
444V71.1Confident63.9Low80 Ų80100.3 Ų100.349%0.48555%0.549SS..Hα-helixtrans-64.3-38.6177.21700000112L440 S446 K448L440-V444 WeakPolarHBondContact O-CB 3.49Å; L440-V444 VanDerWaalsContact O-CG2 3.28Å; L440-V444 WeakPolarHBondContact O-CG2 3.43Å; L440-V444 PolarHBondContact O-N 2.95Å; V444-S446 VanDerWaalsContact C-N 3.35Å; V444-K448 WeakPolarHBondContact O-CB 3.32Å; V444-K448 WeakPolarHBondContact O-CG 3.24Å; V444-K448 PolarHBondContact O-N 3.14Å
445V70.9Confident63.9Low77 Ų7797.8 Ų97.847%0.46755%0.549SS..Hα-helixtrans-67.1-36.6173.81690000111.5S441 E443 R449S441-V445 WeakPolarHBondContact O-CB 3.43Å; S441-V445 VanDerWaalsContact O-CG2 3.31Å; S441-V445 WeakPolarHBondContact O-CG2 3.14Å; S441-V445 PolarHBondContact O-N 2.91Å; E443-V445 PolarHBondContact O-N 2.98Å; V445-R449 WeakPolarHBondContact O-CB 3.42Å; V445-R449 PolarHBondContact O-N 3.33Å; V445-R449 VanDerWaalsContact O-N 3.09Å
446S71.3Confident63.8Low69 Ų6999.9 Ų99.948%0.48356%0.562SS.*Hα-helixtrans-69.5-41.2176.2-58.30000111.8A442 E443 V444 R449 L450A442-S446 WeakPolarHBondContact O-CB 3.49Å; A442-S446 PolarHBondContact O-N 2.74Å; A442-S446 PolarHBondContact O-OG 2.9Å; E443-S446 PolarHBondContact O-N 2.83Å; E443-S446 VanDerWaalsContact O-N 3.16Å; V444-S446 VanDerWaalsContact C-N 3.35Å; S446-R449 WeakPolarHBondContact O-CB 3.41Å; S446-R449 PolarHBondContact O-N 2.59Å; S446-L450 WeakPolarHBondContact O-CB 3.43Å; S446-L450 PolarHBondContact O-N 3.32Å
447L71.4Confident63.3Low99 Ų99103.6 Ų103.652%0.51858%0.583SS.*Hα-helixtrans-65.1-43.3175.8-175.562.1000111.9E443 R449 L450 I451E443-L447 WeakPolarHBondContact O-CB 3.49Å; E443-L447 PolarHBondContact O-N 3.17Å; L447-R449 VanDerWaalsContact C-N 3.3Å; L447-R449 PolarHBondContact O-N 3.19Å; L447-L450 PolarHBondContact O-N 3.1Å; L447-I451 HydrophobicContact CD1-CD1 4.34Å; L447-I451 HydrophobicContact CG-CD1 4.08Å; L447-I451 WeakPolarHBondContact O-CG1 3.05Å; L447-I451 PolarHBondContact O-N 3.15Å
448K70.1Confident62.7Low149 Ų149102.6 Ų102.665%0.64859%0.591SS**Hα-helixtrans-59.8-40173-80.3-173.2173.7-172.40112.4V444 A452V444-K448 WeakPolarHBondContact O-CB 3.32Å; V444-K448 WeakPolarHBondContact O-CG 3.24Å; V444-K448 PolarHBondContact O-N 3.14Å; K448-A452 WeakPolarHBondContact O-CB 3.4Å; K448-A452 PolarHBondContact O-N 3.42Å; K448-A452 VanDerWaalsContact O-N 3.09Å
449R68.4Low62.2Low167 Ų167105.4 Ų105.463%0.6361%0.608SS**Hα-helixtrans-64.2-45.9175.3-164.5-169.7-48.4-119.70.8111.3V445 S446 L447 I451 A452 T453V445-R449 WeakPolarHBondContact O-CB 3.42Å; V445-R449 PolarHBondContact O-N 3.33Å; V445-R449 VanDerWaalsContact O-N 3.09Å; S446-R449 WeakPolarHBondContact O-CB 3.41Å; S446-R449 PolarHBondContact O-N 2.59Å; L447-R449 VanDerWaalsContact C-N 3.3Å; L447-R449 PolarHBondContact O-N 3.19Å; R449-I451 PolarHBondContact O-N 3.11Å; R449-A452 PolarHBondContact O-N 2.73Å; R449-T453 WeakPolarHBondContact O-CG2 3.43Å; R449-T453 PolarHBondContact O-N 3.27Å; R449-T453 VanDerWaalsContact O-N 3.07Å; R449-T453 PolarHBondContact O-OG1 3.24Å; R449-T453 VanDerWaalsContact O-OG1 3.07Å
450L70.1Confident61.5Low99 Ų99109 Ų10952%0.51863%0.627SS.*Hα-helixtrans-59.6-44.1179.6-174.765000112S446 L447 T453S446-L450 WeakPolarHBondContact O-CB 3.43Å; S446-L450 PolarHBondContact O-N 3.32Å; L447-L450 PolarHBondContact O-N 3.1Å; L450-T453 WeakPolarHBondContact CA-OG1 3.11Å; L450-T453 PolarHBondContact O-N 3Å; L450-T453 PolarHBondContact O-OG1 2.78Å
451I67.6Low60.7Low119 Ų119109.5 Ų109.561%0.6164%0.639SS**Hα-helixtrans-64.1-43.3176.3-66.4164.4000110.9L447 R449 T453 Q454L447-I451 HydrophobicContact CD1-CD1 4.34Å; L447-I451 HydrophobicContact CG-CD1 4.08Å; L447-I451 WeakPolarHBondContact O-CG1 3.05Å; L447-I451 PolarHBondContact O-N 3.15Å; R449-I451 PolarHBondContact O-N 3.11Å; I451-T453 PolarHBondContact O-N 2.7Å; I451-Q454 PolarHBondContact O-N 2.76Å
452A64.9Low59.3Low88 Ų88112.8 Ų112.873%0.72769%0.686SS**Hα-helixtrans-67.5-19.1178.300000114K448 R449K448-A452 WeakPolarHBondContact O-CB 3.4Å; K448-A452 PolarHBondContact O-N 3.42Å; K448-A452 VanDerWaalsContact O-N 3.09Å; R449-A452 PolarHBondContact O-N 2.73Å
453T60Low58.9Low95 Ų95115.6 Ų115.658%0.58370%0.697SS**THydrogen-bonded Turntrans-95.2-0.4179.450.20000115.1R449 L450 I451 P455R449-T453 WeakPolarHBondContact O-CG2 3.43Å; R449-T453 PolarHBondContact O-N 3.27Å; R449-T453 VanDerWaalsContact O-N 3.07Å; R449-T453 PolarHBondContact O-OG1 3.24Å; R449-T453 VanDerWaalsContact O-OG1 3.07Å; L450-T453 WeakPolarHBondContact CA-OG1 3.11Å; L450-T453 PolarHBondContact O-N 3Å; L450-T453 PolarHBondContact O-OG1 2.78Å; I451-T453 PolarHBondContact O-N 2.7Å; T453-P455 VanDerWaalsContact O-CD 3.27Å; T453-P455 WeakPolarHBondContact O-CD 3.47Å
454Q50.3Low58.4Low140 Ų140115.2 Ų115.265%0.65470%0.703SS**  trans-89.6111.8173.4-69-149.821.300111.2I451 I456I451-Q454 PolarHBondContact O-N 2.76Å; Q454-I456 PolarHBondContact O-N 3.33Å
455P52.5Low57.7Low113 Ų113117.2 Ų117.273%0.73472%0.715SS**  trans-69.7123.8168.529.4-32.7000109.4T453 S457T453-P455 VanDerWaalsContact O-CD 3.27Å; T453-P455 WeakPolarHBondContact O-CD 3.47Å; P455-S457 PolarHBondContact O-N 2.96Å
456I51.9Low56.9Low162 Ų162119.5 Ų119.583%0.83173%0.73SS**  trans-7398.5173.1-59.2170.2000107.5Q454 A458Q454-I456 PolarHBondContact O-N 3.33Å; I456-A458 PolarHBondContact O-N 3.19Å
457S44.9Very low56Low110 Ų110122.7 Ų122.777%0.76975%0.745SS**  trans-69.496.3168.6-71.60000109.6P455 S459P455-S457 PolarHBondContact O-N 2.96Å; S457-S459 PolarHBondContact O-N 3.03Å
458A43.7Very low55Low92 Ų92124.3 Ų124.376%0.7676%0.76SS**  trans-69.8112.7163.200000108.6I456 D460I456-A458 PolarHBondContact O-N 3.19Å; A458-D460 PolarHBondContact O-N 3.31Å
459S46.9Very low53.9Low114 Ų114122.5 Ų122.580%0.79777%0.768SS**  trans-73.5109.8167.3-68.80000108.9S457S457-S459 PolarHBondContact O-N 3.03Å
460D47.3Very low52.8Low153 Ų153119.1 Ų119.182%0.81878%0.779SS**  trans-60151.1168.5-161.83.1000110.6A458A458-D460 PolarHBondContact O-N 3.31Å
461S46.2Very low51.4Low117 Ų117120.8 Ų120.882%0.81880%0.801SS**  trans-153.289.1178.2-71.70000109.3
462G40.3Very low49.9Very low146 Ų146120.9 Ų120.9100%1.50582%0.818SS**  trans-131.90169.100000110.2

Retrieved 462 of 462 residues in 393.5 ms (Link to these results)