A0A060WRB0_ONCMY Loading...

Glucocorticoid modulatory element binding protein 2

AlphaFold DB , UniProt , Accession A0A060WRB0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 508 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low33.1Very low249 Ų249143.9 Ų143.9100%1.22781%0.81SS**  0136.40-61176.8-178.500106.8
2A34.8Very low32.6Very low103 Ų103145.9 Ų145.985%0.85181%0.808SS**  cis-131.3-169.2-2.200000110.5
3S33.7Very low32.5Very low116 Ų116142.8 Ų142.881%0.81180%0.795SS**  trans-120.3168.1-166.2-49.60000113
4S39.4Very low32.3Very low104 Ų104141.1 Ų141.173%0.72779%0.79SS**  trans71.7168157.8-131.80000115
5E32.9Very low32.2Very low176 Ų176139.1 Ų139.182%0.82278%0.782SS**  cis-137.3131.59.9-58.6173.2168.600108.5
6V35.5Very low32.1Very low127 Ų127138.8 Ų138.877%0.7778%0.784SS**  34.3118.893-176.40000116.1V8V6-V8 HydrophobicContact CG1-CG2 4.44Å
7N29Very low32.2Very low158 Ų158137.9 Ų137.985%0.84578%0.782SS**  trans-146.8154.9148.9-163.75.6000109.7
8V30.7Very low32.3Very low98 Ų98137.5 Ų137.559%0.59478%0.783SS**  trans-131.5147.9-168.6176.10000110.1V6 V10V6-V8 HydrophobicContact CG1-CG2 4.44Å; V8-V10 HydrophobicContact CG1-CG2 4.03Å
9H27.6Very low32.9Very low184 Ų184137.1 Ų137.185%0.85279%0.787SS**  trans-144.9154.7162.9-110.558.2000112.6
10V34Very low32.6Very low113 Ų113138.8 Ų138.869%0.68579%0.793SS**  trans-153.2149.6-161.1179.70000106.4V8V8-V10 HydrophobicContact CG1-CG2 4.03Å
11E31.2Very low32.4Very low155 Ų155135.3 Ų135.372%0.72479%0.787SS**  cis-110.6-1229.3-158.2-169.190.300113.4V13E11-V13 PolarHBondContact OE1-N 3.19Å
12E27.1Very low32.2Very low168 Ų168128.8 Ų128.879%0.78577%0.773SS**  cis-138.3138.910.1-176.5-174.9122.300110.5
13V30.7Very low31.9Very low106 Ų106126.9 Ų126.964%0.64276%0.763SS**  trans-126.4116-179.91790000112.2E11 V15E11-V13 PolarHBondContact OE1-N 3.19Å; V13-V15 HydrophobicContact CG1-CG2 4.32Å
14V29.3Very low31.7Very low119 Ų119131.6 Ų131.672%0.72177%0.772SS**  trans-90.1117.2173.81790000110.5
15V31Very low31.2Very low111 Ų111130.4 Ų130.467%0.67378%0.777SS**  trans-98.1138.2175.8177.90000110.2V13 T17V13-V15 HydrophobicContact CG1-CG2 4.32Å; V15-T17 HydrophobicContact CG1-CG2 4.06Å
16V30.4Very low30.9Very low134 Ų134127.9 Ų127.981%0.81278%0.779SS**  trans-120.3107.91701800000109.3
17T34.9Very low30.6Very low123 Ų123126.5 Ų126.576%0.75578%0.78SS**PPolyproline II helixtrans-100.1132173.646.20000111.1V15V15-T17 HydrophobicContact CG1-CG2 4.06Å
18T33.4Very low30.7Very low131 Ų131123.9 Ų123.980%0.80478%0.781SS**PPolyproline II helixtrans-82143.8166.847.60000111.2
19P43.3Very low30.8Very low130 Ų130128.1 Ų128.184%0.84479%0.794SS**PPolyproline II helixtrans-84.2164179.735.3-36.2000113.3
20D28.1Very low31Very low171 Ų171125 Ų12591%0.91479%0.788SS**  trans-124.4159.5171.5-17315.4000109.8
21G27.8Very low30.8Very low65 Ų65128.9 Ų128.967%0.6780%0.795SS**  trans-169.4123.6-17600000114.7
22A32.2Very low30.6Very low113 Ų113128 Ų12893%0.93480%0.801SS**  trans-75.4169.6-179.200000113.6
23G28.5Very low30.5Very low62 Ų62126 Ų12664%0.63980%0.8SS**  cis-178-152.56.400000112.8
24E28.9Very low30.3Very low215 Ų215129.2 Ų129.2100%1.00581%0.813SS**  trans67.2145.9-171-48.2-173.7108.200113.8
25G28.7Very low30.2Very low80 Ų80129.4 Ų129.483%0.82581%0.813SS**  cis160.9147.6-9.100000110.6
26S27.2Very low30Very low123 Ų123128.7 Ų128.786%0.8682%0.82SS**  cis-166.9167.3-10.3-164.30000111.8
27A28.3Very low29.9Very low97 Ų97128.5 Ų128.580%0.80282%0.819SS**  trans59.8113.2160.600000122.9
28A31.8Very low29.5Very low103 Ų103131.6 Ų131.685%0.85183%0.825SS**  trans-158.3156.714000000110.7
29E32.5Very low29.2Very low188 Ų188133.7 Ų133.788%0.87983%0.83SS**  trans-89.8175.1-175.5-56.3-178123.300111.6
30V31.1Very low28.3Very low119 Ų119133.8 Ų133.872%0.72183%0.828SS**  cis-158.7136.342.7171.60000113.2
31K30.1Very low28.4Very low193 Ų193134.3 Ų134.384%0.83983%0.825SS**  trans27.9123.9153.6-61.5169.9-179.11690121.9
32T26.9Very low28.5Very low137 Ų137137.2 Ų137.284%0.8483%0.832SS**  trans-75.9154148.847.40000112
33V25.9Very low28.2Very low127 Ų127135.6 Ų135.677%0.7783%0.827SS**  trans-139.5122.5161.1177.30000109.1V35V33-V35 HydrophobicContact CG1-CG2 4.08Å
34L26.2Very low28.2Very low173 Ų173142 Ų14291%0.90684%0.84SS**  trans-100140164.5-76.9158.7000108.3
35V26Very low28Very low122 Ų122141 Ų14174%0.73984%0.836SS**  trans-129.1111.6164.9178.30000108.1V33 T37V33-V35 HydrophobicContact CG1-CG2 4.08Å; V35-T37 HydrophobicContact CG1-CG2 4.24Å
36A27.4Very low28.1Very low97 Ų97145 Ų14580%0.80284%0.837SS**  trans-89.9146.4159.300000108.4
37T29.5Very low28.2Very low129 Ų129143.6 Ų143.679%0.79183%0.833SS**  trans-120.5108.1170.447.60000109.2V35V35-T37 HydrophobicContact CG1-CG2 4.24Å
38E26.6Very low28.1Very low189 Ų189147 Ų14788%0.88384%0.838SS**  trans-68153.9164.5-60-179.7119.800109.7
39L25.3Very low28Very low175 Ų175145.1 Ų145.192%0.91683%0.828SS**  trans-121.2113.2178.7-155.578.8000110.4
40T25.3Very low27.7Very low132 Ų132141.6 Ų141.681%0.8183%0.825SS**  trans-81.2145.7-179.8-51.70000111.4
41Q29.6Very low27.8Very low181 Ų181143.5 Ų143.585%0.84683%0.829SS**  trans-61.4159172.9-62.8173.4-12.900112.4
42P29.9Very low27.8Very low126 Ų126142.4 Ų142.482%0.81883%0.827SS**  -145.8153.9115.337.9-25000115.9
43G26.3Very low28.1Very low80 Ų80140.9 Ų140.983%0.82582%0.822SS**  trans86.1110.5139.500000118.9
44E29.5Very low28.3Very low197 Ų197142.1 Ų142.192%0.92182%0.819SS**  trans-94.2140.2155.3-61.3175.1110.200109.6
45E24.3Very low28.6Very low194 Ų194140.9 Ų140.991%0.90782%0.82SS**  trans-151.2168.2150.9-136.2-177.6146.300111.3
46L30.3Very low28.7Very low162 Ų162142.6 Ų142.685%0.84882%0.824SS**  trans-104.8178.9-157.5-76.279.8000115.2
47A30.1Very low28.8Very low95 Ų95142 Ų14279%0.78582%0.819SS**  trans100.2115.417300000113.9
48D25Very low28.9Very low167 Ų167142.4 Ų142.489%0.89382%0.822SS**  cis80.7140.838.3-162.729.4000114.6
49G29.6Very low29Very low64 Ų64139.3 Ų139.366%0.6682%0.816SS**  trans109.190.9-164.200000111.5
50S26.7Very low29.1Very low114 Ų114136.2 Ų136.280%0.79781%0.805SS**  68.4103.255.8-1660000114.3
51I34Very low29.5Very low159 Ų159137.7 Ų137.782%0.81581%0.807SS**  -175.8163.5107.8-165.5156000111.2
52E30.1Very low29.6Very low170 Ų170136 Ų13679%0.79481%0.809SS**  trans-85.1154.1-175.7-57.7140.512900113.1
53S32Very low29.9Very low106 Ų106137.4 Ų137.474%0.74180%0.802SS**  173.4158.899.5-111.10000114.1
54E31.2Very low30.3Very low152 Ų152140.2 Ų140.271%0.7179%0.794SS**  trans-69.5157-176.455.1-95.669.600116.4
55T32.7Very low30.5Very low148 Ų148135.2 Ų135.291%0.90879%0.786SS**  -162.6158.212710.40000112.1
56D26.6Very low30.8Very low157 Ų157132.5 Ų132.584%0.8478%0.783SS**  trans-76.7160.1-166.4-178.934000115.5
57A29.9Very low30.9Very low84 Ų84131.9 Ų131.969%0.69478%0.779SS**  trans147130148.400000114
58T32.1Very low31.1Very low139 Ų139133.9 Ų133.985%0.85378%0.781SS**  trans-79.8128.8-173.7-64.80000114.5
59T28.1Very low31.4Very low123 Ų123133.7 Ų133.776%0.75577%0.773SS**  trans-148124.1160.7-21.50000114.8
60T27.8Very low31.5Very low111 Ų111138 Ų13868%0.68178%0.78SS**  trans37.3130.5149.656.40000124.1
61L33.2Very low31.9Very low162 Ų162137.8 Ų137.885%0.84878%0.779SS**  trans48.7121.6132.1-67.5160.8000120.4K63L61-K63 PolarHBondContact O-N 3.35Å
62T32.5Very low31.7Very low145 Ų145133.5 Ų133.589%0.8977%0.773SS**  trans-71.4106.2174.650.10000113.8
63K36.7Very low32.5Very low157 Ų157134.7 Ų134.768%0.68378%0.779SS**  trans-27.2163.3135.9-73.2163.7148.1-89.70114.8L61L61-K63 PolarHBondContact O-N 3.35Å
64E33.7Very low32.8Very low138 Ų138137.6 Ų137.665%0.64578%0.783SS**  cis-159149.2-7.5-106.8154.1163.700105
65A33.4Very low33.4Very low93 Ų93137 Ų13777%0.76978%0.784SS**  56.466.557.600000114.3L67A65-L67 PolarHBondContact O-N 3.41Å
66V30.6Very low33.9Very low137 Ų137135.7 Ų135.783%0.8378%0.776SS**  trans-75111.2169.5177.10000110.1
67L32.9Very low34.9Very low148 Ų148134.7 Ų134.778%0.77577%0.766SS**  trans-80.4125.3172.4177.978.1000110.5A65A65-L67 PolarHBondContact O-N 3.41Å
68V33.6Very low36.3Very low137 Ų137134.4 Ų134.483%0.8376%0.764SS**  trans-125.6133.3153.1-177.40000108.1
69K31.1Very low38.4Very low163 Ų163131.2 Ų131.271%0.70974%0.742SS**  trans-118.7144-171.7174.6179.4178.4178.50109.4
70L33.6Very low41.3Very low155 Ų155128.4 Ų128.481%0.81272%0.724SS**  trans150.199.3155.5-83.2164.1000106.2
71S35Very low44.5Very low110 Ų110126.8 Ų126.877%0.76971%0.714SS**  88.410182.2-75.90000111.7
72G29.4Very low47.5Very low68 Ų68122.2 Ų122.270%0.70169%0.686SS**  trans168.397178.100000108.8M74G72-M74 PolarHBondContact O-N 2.96Å
73E45.8Very low50.4Low195 Ų195118.7 Ų118.791%0.91167%0.666SS**  trans-73.1103.9-177.752.4-1127700113.1
74M38.9Very low53.3Low168 Ų168111.3 Ų111.383%0.82863%0.634SS**  trans-141.4133.6161.4-172168.7-179.800110.3G72 V76G72-M74 PolarHBondContact O-N 2.96Å; M74-V76 PolarHBondContact O-N 2.99Å
75D43.4Very low56.3Low139 Ų139106.7 Ų106.774%0.74362%0.615SS**  trans-64.2124172.6173.229.6000110.7E77D75-E77 PolarHBondContact OD1-N 3.39Å
76V43.7Very low59.2Low121 Ų121102.3 Ų102.373%0.73358%0.578SS**  trans-138.978.5166.4-171.40000107.7M74 A78M74-V76 PolarHBondContact O-N 2.99Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.33Å
77E48.2Very low62Low135 Ų13597.7 Ų97.763%0.63156%0.559SS**  trans-53.993.9168.1-173.7-154.2-160.900110D75 D79 K96D75-E77 PolarHBondContact OD1-N 3.39Å; E77-D79 PolarHBondContact O-N 3.19Å; E77-D79 VanDerWaalsContact O-N 3.12Å; E77-K96 VanDerWaalsContact CD-NZ 3.29Å; E77-K96 PolarHBondContact O-NZ 2.81Å; E77-K96 WeakPolarHBondContact OE2-CE 3.27Å; E77-K96 IonicContact OE2-NZ 2.71Å; E77-K96 PolarHBondContact OE2-NZ 3.39Å
78A57.8Low64.7Low78 Ų7897.8 Ų97.865%0.64556%0.56SS**  trans-50.2119-169.400000112.3V76 V80V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.33Å; A78-V80 PolarHBondContact O-N 2.93Å
79D75.9Confident67.7Low73 Ų7393 Ų9339%0.3953%0.531SS..  trans-64110.4-179.7-110.730.8000109.2E77 V81 V94 K96E77-D79 PolarHBondContact O-N 3.19Å; E77-D79 VanDerWaalsContact O-N 3.12Å; D79-V81 WeakPolarHBondContact O-CG1 3.42Å; D79-V81 PolarHBondContact O-N 3.32Å; D79-V81 VanDerWaalsContact O-N 3.12Å; D79-V94 HydrophobicContact CB-CG1 4.38Å; D79-V94 WeakPolarHBondContact OD2-CG1 3.26Å; D79-K96 WeakPolarHBondContact OD1-CD 3.49Å; D79-K96 WeakPolarHBondContact OD1-CE 3.28Å; D79-K96 IonicContact OD1-NZ 3.59Å; D79-K96 PolarHBondContact OD1-NZ 3Å
80V90.9Very high70.7Confident63 Ų6393 Ų9338%0.38253%0.531SS..  trans-61117.7-179.6179.80000108.9A78 Y82 W95A78-V80 PolarHBondContact O-N 2.93Å; V80-Y82 HydrophobicContact CG1-CD2 4.45Å; V80-Y82 HydrophobicContact CG1-CE2 3.67Å; V80-W95 HydrophobicContact CB-CB 4.17Å; V80-W95 HydrophobicContact CB-CE3 4.04Å; V80-W95 HydrophobicContact CG1-CB 4.25Å; V80-W95 HydrophobicContact CG1-CE3 4.25Å; V80-W95 HydrophobicContact CG2-CE3 4.33Å; V80-W95 WeakPolarHBondContact O-CB 3.4Å; V80-W95 PolarHBondContact O-N 2.91Å
81V94.6Very high73.7Confident78 Ų7886.2 Ų86.247%0.47350%0.497SS..EExtended strand (participates in β ladder)trans-122.8137.6-173.2-81.40000111.7D79 T92 L93 V94D79-V81 WeakPolarHBondContact O-CG1 3.42Å; D79-V81 PolarHBondContact O-N 3.32Å; D79-V81 VanDerWaalsContact O-N 3.12Å; V81-T92 HydrophobicContact CB-CG2 3.56Å; V81-T92 HydrophobicContact CG1-CG2 3.67Å; V81-T92 HydrophobicContact CG2-CG2 4.41Å; V81-L93 WeakPolarHBondContact CA-O 3.16Å; V81-V94 HydrophobicContact CG1-CG2 4.2Å
82Y94.8Very high76.6Confident65 Ų6583.3 Ų83.326%0.25548%0.475SS..EExtended strand (participates in β ladder)trans-116.9123.6179-66.6-90.9000110.5V80 V84 L93 W95 V138 L152V80-Y82 HydrophobicContact CG1-CD2 4.45Å; V80-Y82 HydrophobicContact CG1-CE2 3.67Å; Y82-V84 PolarHBondContact O-N 3.1Å; Y82-L93 PolarHBondContact N-O 3.34Å; Y82-L93 PolarHBondContact O-N 2.87Å; Y82-W95 HydrophobicContact CD2-CB 4.09Å; Y82-W95 HydrophobicContact CE2-CB 3.81Å; Y82-W95 AromaticContact CE2-CG 3.92Å; Y82-W95 HydrophobicContact CE2-CG 3.92Å; Y82-V138 HydrophobicContact CD1-CG1 4.33Å; Y82-L152 HydrophobicContact CD1-CD1 4.34Å; Y82-L152 HydrophobicContact CD2-CD1 3.69Å; Y82-L152 HydrophobicContact CE1-CD1 4.06Å; Y82-L152 HydrophobicContact CE2-CD1 3.35Å; Y82-L152 HydrophobicContact CG-CD1 4.17Å
83P95.3Very high79.8Confident72 Ų7280.1 Ų80.147%0.46844%0.442SS..EExtended strand (participates in β ladder)trans-67.512017627.5-33.6000110.2V138P83-V138 WeakPolarHBondContact O-CA 3.38Å
84V96.5Very high82.1Confident2 Ų271.4 Ų71.41%0.01240%0.402CS..EExtended strand (participates in β ladder)trans-114151.3-178.5-74.80000112.2Y82 K90 A91 L93 V108 F120 I136 R137 V138 I143Y82-V84 PolarHBondContact O-N 3.1Å; V84-K90 WeakPolarHBondContact O-CA 3.27Å; V84-A91 VanDerWaalsContact CG2-C 3.5Å; V84-A91 HydrophobicContact CG2-CB 3.96Å; V84-A91 VanDerWaalsContact CG2-O 3.27Å; V84-A91 WeakPolarHBondContact CG2-O 3.33Å; V84-A91 PolarHBondContact N-O 2.99Å; V84-A91 PolarHBondContact O-N 2.82Å; V84-L93 HydrophobicContact CG1-CB 3.73Å; V84-L93 HydrophobicContact CG1-CD2 4.44Å; V84-L93 HydrophobicContact CG2-CB 4.15Å; V84-V108 HydrophobicContact CG2-CG1 4.13Å; V84-F120 HydrophobicContact CG2-CE1 4.29Å; V84-I136 HydrophobicContact CB-CG2 3.78Å; V84-I136 HydrophobicContact CG1-CG2 3.84Å; V84-R137 CarbonylContact C-O 3.49Å; V84-R137 WeakPolarHBondContact CA-O 3.26Å; V84-V138 HydrophobicContact CG1-CG2 3.59Å; V84-I143 HydrophobicContact CG1-CD1 4.11Å
85T95.8Very high84.8Confident41 Ų4167.1 Ų67.125%0.25238%0.376SS..EExtended strand (participates in β ladder)trans-135.3144.1-179.454.80000110V89 K90 I136 R137T85-V89 CarbonylContact C-O 3.51Å; T85-V89 VanDerWaalsContact CA-O 3.3Å; T85-V89 WeakPolarHBondContact CA-O 3.45Å; T85-K90 HydrophobicContact CG2-CG 4.18Å; T85-I136 CarbonylContact O-C 3.59Å; T85-I136 WeakPolarHBondContact O-CA 3.49Å; T85-R137 PolarHBondContact N-O 3.29Å; T85-R137 PolarHBondContact O-N 2.95Å; T85-R137 PolarHBondContact OG1-O 3.47Å
86C95.1Very high87.1Confident0 Ų062.3 Ų62.30%035%0.349CS..EExtended strand (participates in β ladder)trans-141.4110.7171.9-168.50000108.8D88 V89 F120 A124 A135 I136C86-D88 PolarHBondContact O-N 2.97Å; C86-V89 PolarHBondContact N-O 3.25Å; C86-V89 PolarHBondContact O-N 2.86Å; C86-V89 VanDerWaalsContact O-N 3.13Å; C86-F120 HydrophobicContact CB-CD1 3.98Å; C86-F120 HydrophobicContact CB-CE1 3.45Å; C86-F120 VanDerWaalsContact CB-CE1 3.45Å; C86-F120 HydrophobicContact CB-CZ 3.84Å; C86-A124 HydrophobicContact CB-CB 3.72Å; C86-A124 VanDerWaalsContact O-CB 3.29Å; C86-A124 WeakPolarHBondContact O-CB 3.31Å; C86-A135 PolarHBondContact SG-O 2.9Å; C86-A135 VanDerWaalsContact SG-O 3.33Å; C86-I136 HydrophobicContact CB-CG1 4.49Å
87G89.6Confident89.5Confident40 Ų4061.8 Ų61.841%0.41234%0.337SS..THydrogen-bonded Turntrans53.7-125.9-160.200000110
88D90.6Very high91.7Very high150 Ų15055.4 Ų55.480%0.80231%0.307SS*.THydrogen-bonded Turntrans-89.9-9.8-176.9-43.8-78.7000112.7C86C86-D88 PolarHBondContact O-N 2.97Å
89V94.8Very high93.5Very high37 Ų3753.6 Ų53.622%0.22429%0.288CS..EExtended strand (participates in β ladder)trans-84.3134.6-178.5-168.50000110.6T85 C86 F110 F120 A124T85-V89 CarbonylContact C-O 3.51Å; T85-V89 VanDerWaalsContact CA-O 3.3Å; T85-V89 WeakPolarHBondContact CA-O 3.45Å; C86-V89 PolarHBondContact N-O 3.25Å; C86-V89 PolarHBondContact O-N 2.86Å; C86-V89 VanDerWaalsContact O-N 3.13Å; V89-F110 HydrophobicContact CG1-CD2 4.05Å; V89-F110 HydrophobicContact CG1-CE2 3.3Å; V89-F110 HydrophobicContact CG1-CZ 3.63Å; V89-F120 HydrophobicContact CB-CE2 4.29Å; V89-F120 HydrophobicContact CG1-CE2 3.79Å; V89-A124 HydrophobicContact CB-CB 4.22Å; V89-A124 HydrophobicContact CG2-CB 3.96Å
90K95.4Very high94.3Very high164 Ų16450.5 Ų50.571%0.71327%0.272SS*.EExtended strand (participates in β ladder)trans-113142.8-179.6-54.1-177.7-178.9175.20110.5V84 T85 F110V84-K90 WeakPolarHBondContact O-CA 3.27Å; T85-K90 HydrophobicContact CG2-CG 4.18Å; K90-F110 VanDerWaalsContact O-CD2 3.24Å; K90-F110 WeakPolarHBondContact O-CD2 3.4Å; K90-F110 WeakPolarHBondContact O-CE2 3.5Å
91A96.1Very high94.3Very high11 Ų1149.2 Ų49.29%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-154.7-179.517800000110.5V84 V108 Q109 F110 F120V84-A91 VanDerWaalsContact CG2-C 3.5Å; V84-A91 HydrophobicContact CG2-CB 3.96Å; V84-A91 VanDerWaalsContact CG2-O 3.27Å; V84-A91 WeakPolarHBondContact CG2-O 3.33Å; V84-A91 PolarHBondContact N-O 2.99Å; V84-A91 PolarHBondContact O-N 2.82Å; A91-V108 HydrophobicContact CB-CG1 3.5Å; A91-Q109 WeakPolarHBondContact CB-O 3.22Å; A91-F110 HydrophobicContact CB-CB 3.99Å; A91-F110 HydrophobicContact CB-CD2 4Å; A91-F110 HydrophobicContact CB-CG 4.44Å; A91-F120 HydrophobicContact CB-CD2 4.01Å; A91-F120 HydrophobicContact CB-CE1 4.34Å; A91-F120 HydrophobicContact CB-CE2 3.38Å; A91-F120 HydrophobicContact CB-CZ 3.58Å
92T96.2Very high94.2Very high50 Ų5045.5 Ų45.531%0.30724%0.242SC..EExtended strand (participates in β ladder)trans-124.1122.1-178.7-58.30000110.6V81 V108 Q109V81-T92 HydrophobicContact CB-CG2 3.56Å; V81-T92 HydrophobicContact CG1-CG2 3.67Å; V81-T92 HydrophobicContact CG2-CG2 4.41Å; T92-V108 CarbonylContact O-C 3.58Å; T92-V108 WeakPolarHBondContact O-CA 3.19Å; T92-Q109 PolarHBondContact N-O 2.88Å; T92-Q109 PolarHBondContact O-N 2.9Å
93L95.6Very high94.1Very high1 Ų145.3 Ų45.31%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-86.9117.1176.1178.572.9000109.8V81 Y82 V84 W95 F98 C107 V108 I143 L152V81-L93 WeakPolarHBondContact CA-O 3.16Å; Y82-L93 PolarHBondContact N-O 3.34Å; Y82-L93 PolarHBondContact O-N 2.87Å; V84-L93 HydrophobicContact CG1-CB 3.73Å; V84-L93 HydrophobicContact CG1-CD2 4.44Å; V84-L93 HydrophobicContact CG2-CB 4.15Å; L93-W95 PolarHBondContact O-N 3.5Å; L93-F98 HydrophobicContact CD1-CB 4.28Å; L93-F98 HydrophobicContact CD1-CD2 3.81Å; L93-F98 HydrophobicContact CD1-CE2 4.41Å; L93-F98 HydrophobicContact CD1-CG 4.17Å; L93-F98 HydrophobicContact CD2-CD1 4.41Å; L93-F98 HydrophobicContact CD2-CD2 4.35Å; L93-F98 HydrophobicContact CD2-CG 4.26Å; L93-C107 HydrophobicContact CD1-CB 4.23Å; L93-V108 HydrophobicContact CD1-CG2 3.82Å; L93-I143 HydrophobicContact CD2-CD1 4.35Å; L93-L152 HydrophobicContact CD2-CD2 4.22Å
94V95.6Very high94.1Very high12 Ų1247 Ų477%0.07325%0.25CC..EExtended strand (participates in β ladder)trans-84.1108.3176.3-174.10000109.1D79 V81 K96 K97 F98 C107 L114D79-V94 HydrophobicContact CB-CG1 4.38Å; D79-V94 WeakPolarHBondContact OD2-CG1 3.26Å; V81-V94 HydrophobicContact CG1-CG2 4.2Å; V94-K96 PolarHBondContact O-N 3.44Å; V94-K97 HydrophobicContact CB-CB 4.35Å; V94-K97 HydrophobicContact CB-CG 4.14Å; V94-K97 HydrophobicContact CG1-CB 4.4Å; V94-K97 HydrophobicContact CG1-CG 3.79Å; V94-K97 PolarHBondContact O-N 3.19Å; V94-K97 VanDerWaalsContact O-N 3.11Å; V94-F98 PolarHBondContact O-N 3.31Å; V94-C107 PolarHBondContact N-O 3.24Å; V94-L114 HydrophobicContact CG2-CD1 4.25Å
95W94Very high94Very high77 Ų7749.5 Ų49.529%0.29226%0.263SS..G310 helixtrans-65-43.2-169.2-175.555.5000113V80 Y82 L93 K97 F98 D153 Y155V80-W95 HydrophobicContact CB-CB 4.17Å; V80-W95 HydrophobicContact CB-CE3 4.04Å; V80-W95 HydrophobicContact CG1-CB 4.25Å; V80-W95 HydrophobicContact CG1-CE3 4.25Å; V80-W95 HydrophobicContact CG2-CE3 4.33Å; V80-W95 WeakPolarHBondContact O-CB 3.4Å; V80-W95 PolarHBondContact O-N 2.91Å; Y82-W95 HydrophobicContact CD2-CB 4.09Å; Y82-W95 HydrophobicContact CE2-CB 3.81Å; Y82-W95 AromaticContact CE2-CG 3.92Å; Y82-W95 HydrophobicContact CE2-CG 3.92Å; L93-W95 PolarHBondContact O-N 3.5Å; W95-K97 PolarHBondContact O-N 3.33Å; W95-F98 WeakPolarHBondContact O-CB 3.24Å; W95-F98 PolarHBondContact O-N 3.4Å; W95-D153 PolarHBondContact NE1-O 2.93Å; W95-Y155 HydrophobicContact CD2-CD2 4.48Å; W95-Y155 HydrophobicContact CE3-CD2 4.35Å; W95-Y155 HydrophobicContact CH2-CD2 4.48Å; W95-Y155 HydrophobicContact CZ3-CD2 4.36Å; W95-Y155 WeakPolarHBondContact O-CB 3.41Å
96K93.6Very high94Very high38 Ų3853.3 Ų53.317%0.16528%0.276CS..G310 helixtrans-59.8-17.4176.9-57.8-167.9-156.1150.80113.5E77 D79 V94 Y155E77-K96 VanDerWaalsContact CD-NZ 3.29Å; E77-K96 PolarHBondContact O-NZ 2.81Å; E77-K96 WeakPolarHBondContact OE2-CE 3.27Å; E77-K96 IonicContact OE2-NZ 2.71Å; E77-K96 PolarHBondContact OE2-NZ 3.39Å; D79-K96 WeakPolarHBondContact OD1-CD 3.49Å; D79-K96 WeakPolarHBondContact OD1-CE 3.28Å; D79-K96 IonicContact OD1-NZ 3.59Å; D79-K96 PolarHBondContact OD1-NZ 3Å; V94-K96 PolarHBondContact O-N 3.44Å; K96-Y155 HydrophobicContact CG-CE2 4.33Å
97K93.6Very high94Very high110 Ų11053.3 Ų53.348%0.47828%0.276SS..G310 helixtrans-97.4-11.7173.7-52.9-59.2-179.2-174.20113.4V94 W95 V99 I105 C107V94-K97 HydrophobicContact CB-CB 4.35Å; V94-K97 HydrophobicContact CB-CG 4.14Å; V94-K97 HydrophobicContact CG1-CB 4.4Å; V94-K97 HydrophobicContact CG1-CG 3.79Å; V94-K97 PolarHBondContact O-N 3.19Å; V94-K97 VanDerWaalsContact O-N 3.11Å; W95-K97 PolarHBondContact O-N 3.33Å; K97-V99 PolarHBondContact O-N 2.85Å; K97-I105 WeakPolarHBondContact O-CG2 3.39Å; K97-C107 HydrophobicContact CB-CB 3.8Å; K97-C107 WeakPolarHBondContact O-CB 3.34Å
98F94.9Very high94.3Very high1 Ų151.4 Ų51.40%0.00426%0.256CS..  trans-79.763.3-177.3-174.9-121.9000112L93 V94 W95 C107 W132 M147 F154 Y155L93-F98 HydrophobicContact CD1-CB 4.28Å; L93-F98 HydrophobicContact CD1-CD2 3.81Å; L93-F98 HydrophobicContact CD1-CE2 4.41Å; L93-F98 HydrophobicContact CD1-CG 4.17Å; L93-F98 HydrophobicContact CD2-CD1 4.41Å; L93-F98 HydrophobicContact CD2-CD2 4.35Å; L93-F98 HydrophobicContact CD2-CG 4.26Å; V94-F98 PolarHBondContact O-N 3.31Å; W95-F98 WeakPolarHBondContact O-CB 3.24Å; W95-F98 PolarHBondContact O-N 3.4Å; F98-C107 HydrophobicContact CB-CB 4.43Å; F98-W132 AromaticContact CE2-CH2 3.78Å; F98-W132 HydrophobicContact CE2-CH2 3.78Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CH2 4.05Å; F98-W132 HydrophobicContact CZ-CZ3 4.35Å; F98-M147 HydrophobicContact CE1-CE 4.03Å; F98-M147 HydrophobicContact CZ-CE 4.16Å; F98-M147 HydrophobicContact CZ-SD 4.34Å; F98-F154 AromaticContact CD1-CD1 3.88Å; F98-F154 HydrophobicContact CD1-CD1 3.88Å; F98-F154 HydrophobicContact CD2-CD1 4.22Å; F98-F154 HydrophobicContact CD2-CE1 4.46Å; F98-F154 AromaticContact CE1-CD1 3.59Å; F98-F154 HydrophobicContact CE1-CD1 3.59Å; F98-F154 HydrophobicContact CE1-CE1 4.02Å; F98-F154 HydrophobicContact CE1-CG 4.29Å; F98-F154 AromaticContact CE2-CD1 3.96Å; F98-F154 HydrophobicContact CE2-CD1 3.96Å; F98-F154 AromaticContact CE2-CE1 3.84Å; F98-F154 HydrophobicContact CE2-CE1 3.84Å; F98-F154 HydrophobicContact CG-CD1 4.19Å; F98-F154 AromaticContact CZ-CD1 3.64Å; F98-F154 HydrophobicContact CZ-CD1 3.64Å; F98-F154 AromaticContact CZ-CE1 3.59Å; F98-F154 HydrophobicContact CZ-CE1 3.59Å; F98-F154 CarbonylContact O-C 3.54Å; F98-F154 WeakPolarHBondContact O-CA 3.42Å; F98-F154 WeakPolarHBondContact O-CB 3.47Å; F98-Y155 PolarHBondContact O-N 2.64Å
99V94.3Very high94.6Very high41 Ų4148.3 Ų48.325%0.24824%0.237CC..  trans-83151.3179.9-179.10000110.9K97 G102 I105 Y155 V160K97-V99 PolarHBondContact O-N 2.85Å; V99-G102 VanDerWaalsContact O-CA 3.24Å; V99-G102 WeakPolarHBondContact O-CA 3.23Å; V99-G102 PolarHBondContact O-N 2.96Å; V99-I105 HydrophobicContact CB-CD1 4.29Å; V99-I105 VanDerWaalsContact O-CD1 3.25Å; V99-I105 WeakPolarHBondContact O-CD1 3.42Å; V99-Y155 HydrophobicContact CG2-CD1 4.34Å; V99-V160 HydrophobicContact CG1-CB 4.41Å; V99-V160 HydrophobicContact CG1-CG1 3.74Å
100C93.9Very high94.6Very high8 Ų848 Ų485%0.05423%0.233CC..THydrogen-bonded Turntrans-64.7135.3178.2-173.60000111.6F154 H157 V160 S162 C165C100-F154 HydrophobicContact CB-CB 4.01Å; C100-F154 HydrophobicContact CB-CD1 4.36Å; C100-F154 HydrophobicContact CB-CD2 3.68Å; C100-F154 HydrophobicContact CB-CE2 4.12Å; C100-F154 HydrophobicContact CB-CG 3.79Å; C100-H157 PolarHBondContact SG-NE2 3.48Å; C100-H157 VanDerWaalsContact SG-NE2 3.42Å; C100-V160 VanDerWaalsContact CB-O 3.25Å; C100-V160 WeakPolarHBondContact CB-O 3.42Å; C100-S162 PolarHBondContact SG-N 3.49Å; C100-C165 WeakPolarHBondContact SG-CB 3.24Å
101P90.8Very high94.2Very high35 Ų3545.7 Ų45.723%0.22723%0.228CC..THydrogen-bonded Turncis-89.67.5534.1-34000115.4I103 W132 F154 S162 C165P101-I103 HydrophobicContact CG-CG2 4.32Å; P101-I103 PolarHBondContact O-N 3.17Å; P101-W132 WeakPolarHBondContact O-CZ2 3.16Å; P101-F154 VanDerWaalsContact C-CE1 3.42Å; P101-F154 VanDerWaalsContact C-CZ 3.49Å; P101-F154 WeakPolarHBondContact O-CE1 3.45Å; P101-F154 WeakPolarHBondContact O-CZ 3.44Å; P101-S162 WeakPolarHBondContact CB-OG 3.43Å; P101-C165 HydrophobicContact CB-CB 4.03Å
102G92.5Very high93.9Very high0 Ų053.6 Ų53.60%026%0.263CS..  trans75.1-41.4178.200000116.1V99 N104 I105 P117V99-G102 VanDerWaalsContact O-CA 3.24Å; V99-G102 WeakPolarHBondContact O-CA 3.23Å; V99-G102 PolarHBondContact O-N 2.96Å; G102-N104 VanDerWaalsContact C-N 3.34Å; G102-N104 PolarHBondContact O-N 2.67Å; G102-I105 PolarHBondContact O-N 3.42Å; G102-P117 VanDerWaalsContact O-CD 3.25Å; G102-P117 WeakPolarHBondContact O-CD 3.27Å; G102-P117 WeakPolarHBondContact O-CG 3.45Å
103I93.1Very high93.7Very high62 Ų6257.6 Ų57.632%0.31828%0.278SS..THydrogen-bonded Turntrans-47.3-45.9-164.6-172.1170000115.8P101 K118 W132P101-I103 HydrophobicContact CG-CG2 4.32Å; P101-I103 PolarHBondContact O-N 3.17Å; I103-K118 HydrophobicContact CG1-CB 4.15Å; I103-K118 VanDerWaalsContact O-CB 3.23Å; I103-K118 WeakPolarHBondContact O-CB 3.39Å; I103-K118 PolarHBondContact O-N 2.88Å; I103-K118 VanDerWaalsContact O-N 3.12Å; I103-W132 HydrophobicContact CB-CZ2 4.36Å; I103-W132 HydrophobicContact CG1-CG 4.37Å
104N94Very high93.6Very high106 Ų10660.9 Ų60.957%0.56730%0.295SS*.THydrogen-bonded Turntrans-107.23.2-179.1-59.2-26.9000112.6G102 K118G102-N104 VanDerWaalsContact C-N 3.34Å; G102-N104 PolarHBondContact O-N 2.67Å; N104-K118 WeakPolarHBondContact OD1-CD 3.4Å
105I94.6Very high93.7Very high55 Ų5561.2 Ų61.228%0.28230%0.296SS..SBendtrans-87.9127.4-174.8-68.8166.4000108.5K97 V99 G102 C107 S116 P117K97-I105 WeakPolarHBondContact O-CG2 3.39Å; V99-I105 HydrophobicContact CB-CD1 4.29Å; V99-I105 VanDerWaalsContact O-CD1 3.25Å; V99-I105 WeakPolarHBondContact O-CD1 3.42Å; G102-I105 PolarHBondContact O-N 3.42Å; I105-C107 PolarHBondContact O-N 2.94Å; I105-C107 VanDerWaalsContact O-N 3.09Å; I105-C107 PolarHBondContact O-SG 3.05Å; I105-S116 WeakPolarHBondContact O-CA 3.34Å; I105-P117 VanDerWaalsContact O-CD 3.24Å; I105-P117 WeakPolarHBondContact O-CD 3.19Å
106K96.1Very high93.8Very high121 Ų12157.7 Ų57.753%0.52628%0.284SS..  trans-70.4105.2-179.9-70.5-176.6168-1650109.8L114 I115K106-L114 HydrophobicContact CB-CD2 4.16Å; K106-L114 HydrophobicContact CB-CG 4.08Å; K106-L114 WeakPolarHBondContact CD-O 3.37Å; K106-L114 WeakPolarHBondContact O-CD2 3.46Å; K106-I115 WeakPolarHBondContact CA-O 3.44Å
107C95.2Very high93.9Very high0 Ų056 Ų560%028%0.276CS..  trans-148.1-7.6-174.259.40000113.8L93 V94 K97 F98 I105 I115L93-C107 HydrophobicContact CD1-CB 4.23Å; V94-C107 PolarHBondContact N-O 3.24Å; K97-C107 HydrophobicContact CB-CB 3.8Å; K97-C107 WeakPolarHBondContact O-CB 3.34Å; F98-C107 HydrophobicContact CB-CB 4.43Å; I105-C107 PolarHBondContact O-N 2.94Å; I105-C107 VanDerWaalsContact O-N 3.09Å; I105-C107 PolarHBondContact O-SG 3.05Å; C107-I115 PolarHBondContact N-O 2.83Å
108V96.3Very high93.9Very high1 Ų156.6 Ų56.61%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-102.8115.2175.4178.10000108V84 A91 T92 L93 I115 P117 F120V84-V108 HydrophobicContact CG2-CG1 4.13Å; A91-V108 HydrophobicContact CB-CG1 3.5Å; T92-V108 CarbonylContact O-C 3.58Å; T92-V108 WeakPolarHBondContact O-CA 3.19Å; L93-V108 HydrophobicContact CD1-CG2 3.82Å; V108-I115 HydrophobicContact CB-CG1 4.29Å; V108-I115 HydrophobicContact CG1-CG1 4.45Å; V108-I115 PolarHBondContact N-O 3.36Å; V108-I115 VanDerWaalsContact O-CG1 3.25Å; V108-I115 WeakPolarHBondContact O-CG1 3.19Å; V108-I115 PolarHBondContact O-N 3.18Å; V108-P117 HydrophobicContact CG2-CG 4.27Å; V108-F120 HydrophobicContact CG1-CB 4.23Å; V108-F120 HydrophobicContact CG1-CD1 4.14Å; V108-F120 HydrophobicContact CG1-CD2 4.18Å; V108-F120 HydrophobicContact CG1-CG 3.93Å
109Q95.8Very high93.9Very high85 Ų8560.4 Ų60.440%0.39730%0.297SS..EExtended strand (participates in β ladder)trans-84.1117.3172.8-168-179.423.500109.4A91 T92 H113 L114A91-Q109 WeakPolarHBondContact CB-O 3.22Å; T92-Q109 PolarHBondContact N-O 2.88Å; T92-Q109 PolarHBondContact O-N 2.9Å; Q109-H113 CarbonylContact C-O 3.55Å; Q109-H113 WeakPolarHBondContact CA-O 3.18Å; Q109-L114 HydrophobicContact CB-CD1 4.26Å
110F94.6Very high94Very high30 Ų3058.5 Ų58.513%0.13229%0.285CS..EExtended strand (participates in β ladder)trans-133.3125.8179.4177-111.5000109.5V89 K90 A91 E112 H113 I115 F120 M123V89-F110 HydrophobicContact CG1-CD2 4.05Å; V89-F110 HydrophobicContact CG1-CE2 3.3Å; V89-F110 HydrophobicContact CG1-CZ 3.63Å; K90-F110 VanDerWaalsContact O-CD2 3.24Å; K90-F110 WeakPolarHBondContact O-CD2 3.4Å; K90-F110 WeakPolarHBondContact O-CE2 3.5Å; A91-F110 HydrophobicContact CB-CB 3.99Å; A91-F110 HydrophobicContact CB-CD2 4Å; A91-F110 HydrophobicContact CB-CG 4.44Å; F110-E112 VanDerWaalsContact C-N 3.29Å; F110-E112 PolarHBondContact O-N 3.09Å; F110-H113 PolarHBondContact N-O 3.46Å; F110-H113 PolarHBondContact O-N 2.95Å; F110-I115 HydrophobicContact CB-CD1 3.75Å; F110-I115 HydrophobicContact CB-CG1 4.17Å; F110-I115 HydrophobicContact CD1-CD1 4.27Å; F110-I115 HydrophobicContact CG-CD1 4.33Å; F110-F120 HydrophobicContact CD2-CE2 4.28Å; F110-M123 HydrophobicContact CD1-CE 3.79Å; F110-M123 HydrophobicContact CD1-SD 4.09Å; F110-M123 HydrophobicContact CE1-CE 3.57Å; F110-M123 HydrophobicContact CE1-SD 4.32Å
111N88.4Confident94Very high115 Ų11558.4 Ų58.462%0.61528%0.284SS*.THydrogen-bonded Turntrans44.755.4-174.3-63-1.4000111.7H113N111-H113 PolarHBondContact O-N 3.19Å; N111-H113 PolarHBondContact O-ND1 3.04Å
112E88.3Confident94.2Very high178 Ų17864.8 Ų64.883%0.83231%0.305SS*.THydrogen-bonded Turntrans65.8-18.3-176.5-53.5-176.3147.300116.2F110F110-E112 VanDerWaalsContact C-N 3.29Å; F110-E112 PolarHBondContact O-N 3.09Å
113H92Very high94.1Very high134 Ų13469.8 Ų69.862%0.6233%0.33SS*.EExtended strand (participates in β ladder)trans-86.2137.9-178.4-65.770.3000112.5Q109 F110 N111 I115Q109-H113 CarbonylContact C-O 3.55Å; Q109-H113 WeakPolarHBondContact CA-O 3.18Å; F110-H113 PolarHBondContact N-O 3.46Å; F110-H113 PolarHBondContact O-N 2.95Å; N111-H113 PolarHBondContact O-N 3.19Å; N111-H113 PolarHBondContact O-ND1 3.04Å; H113-I115 HydrophobicContact CB-CG2 4.49Å
114L95.2Very high94.1Very high69 Ų6967.4 Ų67.436%0.36132%0.32SS..EExtended strand (participates in β ladder)trans-88.2110.6174.7-163.572.7000110.9V94 K106 Q109V94-L114 HydrophobicContact CG2-CD1 4.25Å; K106-L114 HydrophobicContact CB-CD2 4.16Å; K106-L114 HydrophobicContact CB-CG 4.08Å; K106-L114 WeakPolarHBondContact CD-O 3.37Å; K106-L114 WeakPolarHBondContact O-CD2 3.46Å; Q109-L114 HydrophobicContact CB-CD1 4.26Å
115I96.1Very high93.9Very high19 Ų1964.8 Ų64.810%0.09732%0.318CS..EExtended strand (participates in β ladder)trans-118.3166-177.463.1171.1000111.8K106 C107 V108 F110 H113 E119 F120 M123K106-I115 WeakPolarHBondContact CA-O 3.44Å; C107-I115 PolarHBondContact N-O 2.83Å; V108-I115 HydrophobicContact CB-CG1 4.29Å; V108-I115 HydrophobicContact CG1-CG1 4.45Å; V108-I115 PolarHBondContact N-O 3.36Å; V108-I115 VanDerWaalsContact O-CG1 3.25Å; V108-I115 WeakPolarHBondContact O-CG1 3.19Å; V108-I115 PolarHBondContact O-N 3.18Å; F110-I115 HydrophobicContact CB-CD1 3.75Å; F110-I115 HydrophobicContact CB-CG1 4.17Å; F110-I115 HydrophobicContact CD1-CD1 4.27Å; F110-I115 HydrophobicContact CG-CD1 4.33Å; H113-I115 HydrophobicContact CB-CG2 4.49Å; I115-E119 HydrophobicContact CB-CB 4.23Å; I115-F120 HydrophobicContact CD1-CB 3.8Å; I115-F120 HydrophobicContact CD1-CD2 4.23Å; I115-F120 HydrophobicContact CD1-CG 4.49Å; I115-F120 HydrophobicContact CG1-CB 4.42Å; I115-M123 HydrophobicContact CD1-SD 3.75Å
116S96.3Very high93.6Very high4 Ų465.6 Ų65.63%0.02832%0.319CS..  trans-82.7156.717567.70000112.6I105 K118 E119 F120I105-S116 WeakPolarHBondContact O-CA 3.34Å; S116-K118 PolarHBondContact O-N 3.32Å; S116-E119 WeakPolarHBondContact CB-OE2 3.29Å; S116-E119 PolarHBondContact N-OE2 3.46Å; S116-E119 PolarHBondContact O-N 3.49Å; S116-E119 VanDerWaalsContact O-N 3.12Å; S116-E119 VanDerWaalsContact OG-CD 3.24Å; S116-E119 WeakPolarHBondContact OG-CG 3.34Å; S116-E119 PolarHBondContact OG-N 2.9Å; S116-E119 PolarHBondContact OG-OE2 3Å; S116-F120 PolarHBondContact O-N 3.18Å
117P95.5Very high93.1Very high1 Ų162.9 Ų62.91%0.00632%0.315CS..Hα-helixtrans-53.7-34.3171.4-28.836.3000113.8G102 I105 V108 V121 W132 I136G102-P117 VanDerWaalsContact O-CD 3.25Å; G102-P117 WeakPolarHBondContact O-CD 3.27Å; G102-P117 WeakPolarHBondContact O-CG 3.45Å; I105-P117 VanDerWaalsContact O-CD 3.24Å; I105-P117 WeakPolarHBondContact O-CD 3.19Å; V108-P117 HydrophobicContact CG2-CG 4.27Å; P117-V121 WeakPolarHBondContact O-CB 3.49Å; P117-V121 VanDerWaalsContact O-CG2 3.24Å; P117-V121 WeakPolarHBondContact O-CG2 3.4Å; P117-V121 PolarHBondContact O-N 2.85Å; P117-V121 VanDerWaalsContact O-N 3.08Å; P117-W132 HydrophobicContact CB-CD2 3.98Å; P117-W132 HydrophobicContact CB-CE3 3.47Å; P117-W132 VanDerWaalsContact CB-CE3 3.47Å; P117-W132 HydrophobicContact CB-CZ3 3.8Å; P117-W132 HydrophobicContact CG-CE3 4.21Å; P117-W132 HydrophobicContact CG-CZ3 4.02Å; P117-I136 HydrophobicContact CB-CD1 3.76Å
118K94.6Very high92.6Very high124 Ų12468.7 Ų68.754%0.53935%0.351SS..Hα-helixtrans-66.7-45175.7-178.5-175174.7-1670112.3I103 N104 S116 Y122I103-K118 HydrophobicContact CG1-CB 4.15Å; I103-K118 VanDerWaalsContact O-CB 3.23Å; I103-K118 WeakPolarHBondContact O-CB 3.39Å; I103-K118 PolarHBondContact O-N 2.88Å; I103-K118 VanDerWaalsContact O-N 3.12Å; N104-K118 WeakPolarHBondContact OD1-CD 3.4Å; S116-K118 PolarHBondContact O-N 3.32Å; K118-Y122 PolarHBondContact O-N 3.07Å; K118-Y122 VanDerWaalsContact O-N 3.1Å
119E95Very high92Very high81 Ų8172.8 Ų72.838%0.37937%0.373SS..Hα-helixtrans-65.2-43.8176.3-71.1157.214000110.8I115 S116 V121 Y122 M123I115-E119 HydrophobicContact CB-CB 4.23Å; S116-E119 WeakPolarHBondContact CB-OE2 3.29Å; S116-E119 PolarHBondContact N-OE2 3.46Å; S116-E119 PolarHBondContact O-N 3.49Å; S116-E119 VanDerWaalsContact O-N 3.12Å; S116-E119 VanDerWaalsContact OG-CD 3.24Å; S116-E119 WeakPolarHBondContact OG-CG 3.34Å; S116-E119 PolarHBondContact OG-N 2.9Å; S116-E119 PolarHBondContact OG-OE2 3Å; E119-V121 PolarHBondContact O-N 3.39Å; E119-Y122 WeakPolarHBondContact O-CA 3.27Å; E119-Y122 WeakPolarHBondContact O-CB 3.5Å; E119-Y122 PolarHBondContact O-N 3.19Å; E119-Y122 VanDerWaalsContact O-N 3.08Å; E119-M123 WeakPolarHBondContact O-CG 3.47Å; E119-M123 PolarHBondContact O-N 3.12Å
120F95.4Very high91.6Very high0 Ų079 Ų790%040%0.398CS..Hα-helixtrans-59.3-43.8177-178.3-124.3000112.7V84 C86 V89 A91 V108 F110 I115 S116 Y122 M123 A124 I136V84-F120 HydrophobicContact CG2-CE1 4.29Å; C86-F120 HydrophobicContact CB-CD1 3.98Å; C86-F120 HydrophobicContact CB-CE1 3.45Å; C86-F120 VanDerWaalsContact CB-CE1 3.45Å; C86-F120 HydrophobicContact CB-CZ 3.84Å; V89-F120 HydrophobicContact CB-CE2 4.29Å; V89-F120 HydrophobicContact CG1-CE2 3.79Å; A91-F120 HydrophobicContact CB-CD2 4.01Å; A91-F120 HydrophobicContact CB-CE1 4.34Å; A91-F120 HydrophobicContact CB-CE2 3.38Å; A91-F120 HydrophobicContact CB-CZ 3.58Å; V108-F120 HydrophobicContact CG1-CB 4.23Å; V108-F120 HydrophobicContact CG1-CD1 4.14Å; V108-F120 HydrophobicContact CG1-CD2 4.18Å; V108-F120 HydrophobicContact CG1-CG 3.93Å; F110-F120 HydrophobicContact CD2-CE2 4.28Å; I115-F120 HydrophobicContact CD1-CB 3.8Å; I115-F120 HydrophobicContact CD1-CD2 4.23Å; I115-F120 HydrophobicContact CD1-CG 4.49Å; I115-F120 HydrophobicContact CG1-CB 4.42Å; S116-F120 PolarHBondContact O-N 3.18Å; F120-Y122 VanDerWaalsContact C-N 3.29Å; F120-Y122 PolarHBondContact O-N 3.4Å; F120-M123 PolarHBondContact O-N 3.18Å; F120-A124 WeakPolarHBondContact O-CB 3.11Å; F120-A124 PolarHBondContact O-N 2.8Å; F120-I136 HydrophobicContact CD1-CD1 3.84Å; F120-I136 HydrophobicContact CD1-CG1 3.95Å; F120-I136 HydrophobicContact CE1-CG1 4.27Å; F120-I136 HydrophobicContact CE1-CG2 4.2Å
121V94.7Very high91.4Very high6 Ų679.3 Ų79.34%0.03640%0.401CS..Hα-helixtrans-66.5-30.7175.71690000112.3P117 E119 K126 S127 W132 A135 I136P117-V121 WeakPolarHBondContact O-CB 3.49Å; P117-V121 VanDerWaalsContact O-CG2 3.24Å; P117-V121 WeakPolarHBondContact O-CG2 3.4Å; P117-V121 PolarHBondContact O-N 2.85Å; P117-V121 VanDerWaalsContact O-N 3.08Å; E119-V121 PolarHBondContact O-N 3.39Å; V121-K126 HydrophobicContact CG1-CB 4.08Å; V121-K126 CarbonylContact O-C 3.55Å; V121-K126 WeakPolarHBondContact O-CA 3.3Å; V121-K126 PolarHBondContact O-N 3.05Å; V121-S127 PolarHBondContact O-N 2.8Å; V121-W132 HydrophobicContact CG2-CB 4.03Å; V121-A135 HydrophobicContact CG1-CB 3.94Å; V121-A135 HydrophobicContact CG2-CB 3.78Å; V121-I136 HydrophobicContact CG2-CD1 3.96Å; V121-I136 HydrophobicContact CG2-CG1 3.59Å
122Y94.1Very high91.6Very high169 Ų16975 Ų7566%0.66338%0.376SS*.Hα-helixtrans-70.7-49173.3179.8-91000111.9K118 E119 F120 A124 G125K118-Y122 PolarHBondContact O-N 3.07Å; K118-Y122 VanDerWaalsContact O-N 3.1Å; E119-Y122 WeakPolarHBondContact O-CA 3.27Å; E119-Y122 WeakPolarHBondContact O-CB 3.5Å; E119-Y122 PolarHBondContact O-N 3.19Å; E119-Y122 VanDerWaalsContact O-N 3.08Å; F120-Y122 VanDerWaalsContact C-N 3.29Å; F120-Y122 PolarHBondContact O-N 3.4Å; Y122-A124 PolarHBondContact O-N 3.18Å; Y122-G125 PolarHBondContact O-N 3.43Å
123M91.6Very high91.9Very high105 Ų10567.2 Ų67.252%0.51734%0.34SS..Hα-helixtrans-60.8-33.2177.2-65.6177.483.900112.4F110 I115 E119 F120 G125F110-M123 HydrophobicContact CD1-CE 3.79Å; F110-M123 HydrophobicContact CD1-SD 4.09Å; F110-M123 HydrophobicContact CE1-CE 3.57Å; F110-M123 HydrophobicContact CE1-SD 4.32Å; I115-M123 HydrophobicContact CD1-SD 3.75Å; E119-M123 WeakPolarHBondContact O-CG 3.47Å; E119-M123 PolarHBondContact O-N 3.12Å; F120-M123 PolarHBondContact O-N 3.18Å; M123-G125 PolarHBondContact O-N 3.02Å
124A91.8Very high91.9Very high13 Ų1367.4 Ų67.411%0.10734%0.335CS..THydrogen-bonded Turntrans-74.53.3173.800000115.2C86 V89 F120 Y122 K126C86-A124 HydrophobicContact CB-CB 3.72Å; C86-A124 VanDerWaalsContact O-CB 3.29Å; C86-A124 WeakPolarHBondContact O-CB 3.31Å; V89-A124 HydrophobicContact CB-CB 4.22Å; V89-A124 HydrophobicContact CG2-CB 3.96Å; F120-A124 WeakPolarHBondContact O-CB 3.11Å; F120-A124 PolarHBondContact O-N 2.8Å; Y122-A124 PolarHBondContact O-N 3.18Å; A124-K126 HydrophobicContact CB-CG 4.23Å; A124-K126 WeakPolarHBondContact O-CG 3.36Å; A124-K126 PolarHBondContact O-N 3.28Å; A124-K126 VanDerWaalsContact O-N 3.16Å
125G90.6Very high91.9Very high51 Ų5164.5 Ų64.553%0.52632%0.321SS..THydrogen-bonded Turntrans6418-176.700000113.9Y122 M123Y122-G125 PolarHBondContact O-N 3.43Å; M123-G125 PolarHBondContact O-N 3.02Å
126K89.5Confident91.8Very high71 Ų7163.6 Ų63.631%0.30932%0.316SS..  trans-102.412-179.3-56.6-46.4177.5-161.90112.8V121 A124 T128 L129 A135V121-K126 HydrophobicContact CG1-CB 4.08Å; V121-K126 CarbonylContact O-C 3.55Å; V121-K126 WeakPolarHBondContact O-CA 3.3Å; V121-K126 PolarHBondContact O-N 3.05Å; A124-K126 HydrophobicContact CB-CG 4.23Å; A124-K126 WeakPolarHBondContact O-CG 3.36Å; A124-K126 PolarHBondContact O-N 3.28Å; A124-K126 VanDerWaalsContact O-N 3.16Å; K126-T128 PolarHBondContact O-N 3.01Å; K126-T128 VanDerWaalsContact O-N 3.08Å; K126-L129 HydrophobicContact CB-CD1 4.16Å; K126-L129 WeakPolarHBondContact O-CB 3.41Å; K126-L129 PolarHBondContact O-N 3.26Å; K126-A135 HydrophobicContact CB-CB 4.41Å
127S85.3Confident91.8Very high64 Ų6468.3 Ų68.345%0.44833%0.334SS..THydrogen-bonded Turntrans-56.8-20.4177.750.30000115.2V121 L129V121-S127 PolarHBondContact O-N 2.8Å; S127-L129 PolarHBondContact O-N 3.25Å
128T84.2Confident91.8Very high123 Ų12368.7 Ų68.776%0.75534%0.336SS*.THydrogen-bonded Turntrans-64.6-27.1171.352.60000112.8K126 K130K126-T128 PolarHBondContact O-N 3.01Å; K126-T128 VanDerWaalsContact O-N 3.08Å; T128-K130 PolarHBondContact O-N 3.15Å
129L84.2Confident91.6Very high87 Ų8769 Ų6946%0.45534%0.343SS..SBendtrans-78.9103.2169.2-71.9144.2000109.1K126 S127 D131 A135K126-L129 HydrophobicContact CB-CD1 4.16Å; K126-L129 WeakPolarHBondContact O-CB 3.41Å; K126-L129 PolarHBondContact O-N 3.26Å; S127-L129 PolarHBondContact O-N 3.25Å; L129-D131 PolarHBondContact O-N 3.02Å; L129-A135 HydrophobicContact CB-CB 4.48Å; L129-A135 HydrophobicContact CD1-CB 4.44Å
130K86.6Confident91.4Very high216 Ų21667.1 Ų67.194%0.93935%0.346SS*.SBendtrans-6414.4173.6-59.1-175.9179.5-178.70114.6T128T128-K130 PolarHBondContact O-N 3.15Å
131D90.3Very high91.4Very high36 Ų3670 Ų7019%0.19336%0.363CS..  trans-137.383.3-171.8-168.6-17.8000110.6L129 K133 R134 A135 R144L129-D131 PolarHBondContact O-N 3.02Å; D131-K133 PolarHBondContact O-N 3.22Å; D131-K133 PolarHBondContact OD1-N 3.44Å; D131-R134 HydrophobicContact CB-CB 4.28Å; D131-R134 HydrophobicContact CB-CG 4.44Å; D131-R134 PolarHBondContact O-N 3.04Å; D131-R134 PolarHBondContact OD1-N 2.84Å; D131-R134 VanDerWaalsContact OD2-CD 3.25Å; D131-R134 WeakPolarHBondContact OD2-CD 3.18Å; D131-R134 WeakPolarHBondContact OD2-CG 3.12Å; D131-R134 IonicContact OD2-NE 2.75Å; D131-A135 PolarHBondContact O-N 3.23Å; D131-A135 VanDerWaalsContact O-N 3.08Å; D131-R144 IonicContact OD1-CZ 3.58Å; D131-R144 IonicContact OD1-NH1 3.8Å; D131-R144 IonicContact OD1-NH2 3.64Å; D131-R144 PolarHBondContact OD1-NH2 2.65Å; D131-R144 IonicContact OD2-CZ 2.75Å; D131-R144 VanDerWaalsContact OD2-CZ 3.26Å; D131-R144 IonicContact OD2-NH1 2.65Å; D131-R144 PolarHBondContact OD2-NH1 2.77Å; D131-R144 IonicContact OD2-NH2 3.92Å; D131-R144 PolarHBondContact OD2-NH2 3.3Å
132W92.8Very high91.3Very high23 Ų2372.9 Ų72.99%0.08738%0.377CS..Hα-helixtrans-58.8-31.6-178.368-90.3000113F98 P101 I103 P117 V121 R134 A135 I136 F154F98-W132 AromaticContact CE2-CH2 3.78Å; F98-W132 HydrophobicContact CE2-CH2 3.78Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CH2 4.05Å; F98-W132 HydrophobicContact CZ-CZ3 4.35Å; P101-W132 WeakPolarHBondContact O-CZ2 3.16Å; I103-W132 HydrophobicContact CB-CZ2 4.36Å; I103-W132 HydrophobicContact CG1-CG 4.37Å; P117-W132 HydrophobicContact CB-CD2 3.98Å; P117-W132 HydrophobicContact CB-CE3 3.47Å; P117-W132 VanDerWaalsContact CB-CE3 3.47Å; P117-W132 HydrophobicContact CB-CZ3 3.8Å; P117-W132 HydrophobicContact CG-CE3 4.21Å; P117-W132 HydrophobicContact CG-CZ3 4.02Å; V121-W132 HydrophobicContact CG2-CB 4.03Å; W132-R134 PolarHBondContact O-N 3.48Å; W132-A135 PolarHBondContact O-N 2.93Å; W132-I136 HydrophobicContact CE3-CD1 4.11Å; W132-I136 WeakPolarHBondContact O-CG1 3.22Å; W132-I136 PolarHBondContact O-N 2.83Å; W132-F154 HydrophobicContact CH2-CE1 4.29Å
133K93.4Very high91.3Very high15 Ų1565 Ų657%0.06535%0.346CS..Hα-helixtrans-69.5-17.7177.1-64.1-170.4168.6-170.10113.3D131 I143 R144 M147 C165D131-K133 PolarHBondContact O-N 3.22Å; D131-K133 PolarHBondContact OD1-N 3.44Å; K133-I143 PolarHBondContact O-N 3.46Å; K133-R144 HydrophobicContact CB-CB 4.02Å; K133-R144 PolarHBondContact O-N 2.87Å; K133-M147 HydrophobicContact CD-SD 3.86Å; K133-M147 VanDerWaalsContact CE-SD 3.55Å; K133-M147 PolarHBondContact NZ-SD 2.98Å; K133-C165 PolarHBondContact NZ-O 2.69Å
134R93.1Very high91.4Very high138 Ų13861.1 Ų61.152%0.52133%0.326SS..Hα-helixtrans-94.8-30.7170-72.2-174.9172.8-150.5-3.7113D131 W132D131-R134 HydrophobicContact CB-CB 4.28Å; D131-R134 HydrophobicContact CB-CG 4.44Å; D131-R134 PolarHBondContact O-N 3.04Å; D131-R134 PolarHBondContact OD1-N 2.84Å; D131-R134 VanDerWaalsContact OD2-CD 3.25Å; D131-R134 WeakPolarHBondContact OD2-CD 3.18Å; D131-R134 WeakPolarHBondContact OD2-CG 3.12Å; D131-R134 IonicContact OD2-NE 2.75Å; W132-R134 PolarHBondContact O-N 3.48Å
135A94.3Very high91.5Very high8 Ų867 Ų677%0.06635%0.349CS..Hα-helixtrans-71.7-39179.600000112.6C86 V121 K126 L129 D131 W132C86-A135 PolarHBondContact SG-O 2.9Å; C86-A135 VanDerWaalsContact SG-O 3.33Å; V121-A135 HydrophobicContact CG1-CB 3.94Å; V121-A135 HydrophobicContact CG2-CB 3.78Å; K126-A135 HydrophobicContact CB-CB 4.41Å; L129-A135 HydrophobicContact CB-CB 4.48Å; L129-A135 HydrophobicContact CD1-CB 4.44Å; D131-A135 PolarHBondContact O-N 3.23Å; D131-A135 VanDerWaalsContact O-N 3.08Å; W132-A135 PolarHBondContact O-N 2.93Å
136I95.2Very high91.6Very high1 Ų165.1 Ų65.11%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-87.4139.2178.3-52.6175.8000111V84 T85 C86 P117 F120 V121 W132 I143V84-I136 HydrophobicContact CB-CG2 3.78Å; V84-I136 HydrophobicContact CG1-CG2 3.84Å; T85-I136 CarbonylContact O-C 3.59Å; T85-I136 WeakPolarHBondContact O-CA 3.49Å; C86-I136 HydrophobicContact CB-CG1 4.49Å; P117-I136 HydrophobicContact CB-CD1 3.76Å; F120-I136 HydrophobicContact CD1-CD1 3.84Å; F120-I136 HydrophobicContact CD1-CG1 3.95Å; F120-I136 HydrophobicContact CE1-CG1 4.27Å; F120-I136 HydrophobicContact CE1-CG2 4.2Å; V121-I136 HydrophobicContact CG2-CD1 3.96Å; V121-I136 HydrophobicContact CG2-CG1 3.59Å; W132-I136 HydrophobicContact CE3-CD1 4.11Å; W132-I136 WeakPolarHBondContact O-CG1 3.22Å; W132-I136 PolarHBondContact O-N 2.83Å; I136-I143 HydrophobicContact CB-CD1 3.9Å; I136-I143 HydrophobicContact CB-CG1 4.35Å; I136-I143 HydrophobicContact CG2-CD1 3.44Å; I136-I143 VanDerWaalsContact CG2-CD1 3.44Å; I136-I143 HydrophobicContact CG2-CG1 4.1Å; I136-I143 PolarHBondContact O-N 2.85Å
137R95.4Very high91.7Very high103 Ų10362.6 Ų62.639%0.38932%0.317SS..EExtended strand (participates in β ladder)trans-131.1129.9-179.3-66.9165.6179.1-90.9-1.8111.8V84 T85 G140 T141 M142V84-R137 CarbonylContact C-O 3.49Å; V84-R137 WeakPolarHBondContact CA-O 3.26Å; T85-R137 PolarHBondContact N-O 3.29Å; T85-R137 PolarHBondContact O-N 2.95Å; T85-R137 PolarHBondContact OG1-O 3.47Å; R137-G140 WeakPolarHBondContact CD-O 3.34Å; R137-G140 PolarHBondContact NH1-O 3.24Å; R137-T141 CarbonylContact C-O 3.58Å; R137-T141 WeakPolarHBondContact CA-O 3.03Å; R137-T141 WeakPolarHBondContact CB-O 3.37Å; R137-M142 HydrophobicContact CG-CG 4.28Å
138V95.4Very high92Very high8 Ų865.1 Ų65.15%0.04833%0.325CS..EExtended strand (participates in β ladder)trans-93.3129.6164.6177.60000107.4Y82 P83 V84 G140 T141 I143 I146 L152Y82-V138 HydrophobicContact CD1-CG1 4.33Å; P83-V138 WeakPolarHBondContact O-CA 3.38Å; V84-V138 HydrophobicContact CG1-CG2 3.59Å; V138-G140 PolarHBondContact O-N 2.87Å; V138-T141 PolarHBondContact N-O 2.8Å; V138-T141 PolarHBondContact O-N 2.83Å; V138-I143 HydrophobicContact CG2-CD1 4.33Å; V138-I143 HydrophobicContact CG2-CG1 4.02Å; V138-I146 HydrophobicContact CB-CD1 3.69Å; V138-I146 HydrophobicContact CG1-CD1 4.47Å; V138-I146 HydrophobicContact CG2-CD1 4.27Å; V138-L152 HydrophobicContact CG2-CD2 4.43Å
139N91.1Very high92.3Very high131 Ų13162.9 Ų62.970%0.70131%0.314SS*.THydrogen-bonded Turntrans47.241179.9-60.6-23.2000113.4T141N139-T141 PolarHBondContact O-N 2.82Å
140G91Very high92.3Very high42 Ų4261.6 Ų61.643%0.43332%0.322SS..THydrogen-bonded Turntrans77.6-17.5-176.500000116.1R137 V138R137-G140 WeakPolarHBondContact CD-O 3.34Å; R137-G140 PolarHBondContact NH1-O 3.24Å; V138-G140 PolarHBondContact O-N 2.87Å
141T94.2Very high92.4Very high59 Ų5958.4 Ų58.436%0.36231%0.31SS..EExtended strand (participates in β ladder)trans-86131.6179.2-64.20000111.5R137 V138 N139 I143 K145 I146R137-T141 CarbonylContact C-O 3.58Å; R137-T141 WeakPolarHBondContact CA-O 3.03Å; R137-T141 WeakPolarHBondContact CB-O 3.37Å; V138-T141 PolarHBondContact N-O 2.8Å; V138-T141 PolarHBondContact O-N 2.83Å; N139-T141 PolarHBondContact O-N 2.82Å; T141-I143 PolarHBondContact O-N 2.92Å; T141-K145 HydrophobicContact CG2-CB 4.08Å; T141-K145 HydrophobicContact CG2-CD 4.04Å; T141-K145 HydrophobicContact CG2-CG 4.41Å; T141-I146 HydrophobicContact CG2-CD1 4.05Å; T141-I146 HydrophobicContact CG2-CG1 3.67Å
142M94.2Very high92.4Very high68 Ų6856.9 Ų56.934%0.33530%0.302SS..EExtended strand (participates in β ladder)trans-58.4131.7179.5-63.1173.7-66.600111R137 R144 K145R137-M142 HydrophobicContact CG-CG 4.28Å; M142-R144 PolarHBondContact O-N 2.82Å; M142-R144 VanDerWaalsContact O-N 3.12Å; M142-K145 PolarHBondContact O-N 2.9Å
143I94Very high92.4Very high2 Ų258.4 Ų58.41%0.0131%0.312CS..Hα-helixtrans-50.6-43.2-178.1-80.1-173.8000111.7V84 L93 K133 I136 V138 T141 K145 I146 M147V84-I143 HydrophobicContact CG1-CD1 4.11Å; L93-I143 HydrophobicContact CD2-CD1 4.35Å; K133-I143 PolarHBondContact O-N 3.46Å; I136-I143 HydrophobicContact CB-CD1 3.9Å; I136-I143 HydrophobicContact CB-CG1 4.35Å; I136-I143 HydrophobicContact CG2-CD1 3.44Å; I136-I143 VanDerWaalsContact CG2-CD1 3.44Å; I136-I143 HydrophobicContact CG2-CG1 4.1Å; I136-I143 PolarHBondContact O-N 2.85Å; V138-I143 HydrophobicContact CG2-CD1 4.33Å; V138-I143 HydrophobicContact CG2-CG1 4.02Å; T141-I143 PolarHBondContact O-N 2.92Å; I143-K145 VanDerWaalsContact C-N 3.27Å; I143-K145 PolarHBondContact O-N 2.96Å; I143-I146 PolarHBondContact O-N 3.12Å; I143-M147 HydrophobicContact CG2-CG 3.95Å; I143-M147 HydrophobicContact CG2-SD 3.91Å; I143-M147 WeakPolarHBondContact O-CG 2.85Å; I143-M147 PolarHBondContact O-N 3.31Å
144R92.9Very high92.5Very high24 Ų2458 Ų589%0.09131%0.31CS..Hα-helixtrans-49.6-46176.1173.7165.6-62130.424.8112.5D131 K133 M142 I146 M147 D148D131-R144 IonicContact OD1-CZ 3.58Å; D131-R144 IonicContact OD1-NH1 3.8Å; D131-R144 IonicContact OD1-NH2 3.64Å; D131-R144 PolarHBondContact OD1-NH2 2.65Å; D131-R144 IonicContact OD2-CZ 2.75Å; D131-R144 VanDerWaalsContact OD2-CZ 3.26Å; D131-R144 IonicContact OD2-NH1 2.65Å; D131-R144 PolarHBondContact OD2-NH1 2.77Å; D131-R144 IonicContact OD2-NH2 3.92Å; D131-R144 PolarHBondContact OD2-NH2 3.3Å; K133-R144 HydrophobicContact CB-CB 4.02Å; K133-R144 PolarHBondContact O-N 2.87Å; M142-R144 PolarHBondContact O-N 2.82Å; M142-R144 VanDerWaalsContact O-N 3.12Å; R144-I146 VanDerWaalsContact C-N 3.25Å; R144-I146 PolarHBondContact O-N 2.89Å; R144-M147 PolarHBondContact O-N 2.71Å; R144-D148 WeakPolarHBondContact CG-OD2 3.44Å; R144-D148 WeakPolarHBondContact O-CB 3.2Å; R144-D148 PolarHBondContact O-N 3.12Å
145K93.1Very high92.5Very high137 Ų13754.9 Ų54.960%0.59630%0.299SS*.Hα-helixtrans-64.3-32.3-177-171.9-176.3173.9-165.90112.3T141 M142 I143 S149T141-K145 HydrophobicContact CG2-CB 4.08Å; T141-K145 HydrophobicContact CG2-CD 4.04Å; T141-K145 HydrophobicContact CG2-CG 4.41Å; M142-K145 PolarHBondContact O-N 2.9Å; I143-K145 VanDerWaalsContact C-N 3.27Å; I143-K145 PolarHBondContact O-N 2.96Å; K145-S149 PolarHBondContact O-N 3.39Å; K145-S149 PolarHBondContact O-OG 2.9Å
146I93.3Very high92.4Very high11 Ų1158.2 Ų58.26%0.05631%0.313CS..Hα-helixtrans-78.9-32.5-179.8-43.1177.8000110.8V138 T141 I143 R144 S149 G150 E151 L152V138-I146 HydrophobicContact CB-CD1 3.69Å; V138-I146 HydrophobicContact CG1-CD1 4.47Å; V138-I146 HydrophobicContact CG2-CD1 4.27Å; T141-I146 HydrophobicContact CG2-CD1 4.05Å; T141-I146 HydrophobicContact CG2-CG1 3.67Å; I143-I146 PolarHBondContact O-N 3.12Å; R144-I146 VanDerWaalsContact C-N 3.25Å; R144-I146 PolarHBondContact O-N 2.89Å; I146-S149 WeakPolarHBondContact CA-OG 3.48Å; I146-S149 PolarHBondContact O-OG 3.11Å; I146-G150 PolarHBondContact O-N 3.19Å; I146-E151 HydrophobicContact CG2-CB 3.71Å; I146-E151 HydrophobicContact CG2-CG 3.87Å; I146-E151 PolarHBondContact O-N 2.82Å; I146-E151 VanDerWaalsContact O-N 3.15Å; I146-L152 HydrophobicContact CB-CB 4.29Å; I146-L152 HydrophobicContact CG2-CB 3.54Å; I146-L152 PolarHBondContact O-N 3.23Å
147M92.5Very high92.2Very high19 Ų1959.5 Ų59.59%0.09432%0.319CS..Hα-helixtrans-69.2-41.6168.6-56.7-168.684.200112F98 K133 I143 R144 S149 G150 L152 D153 F154F98-M147 HydrophobicContact CE1-CE 4.03Å; F98-M147 HydrophobicContact CZ-CE 4.16Å; F98-M147 HydrophobicContact CZ-SD 4.34Å; K133-M147 HydrophobicContact CD-SD 3.86Å; K133-M147 VanDerWaalsContact CE-SD 3.55Å; K133-M147 PolarHBondContact NZ-SD 2.98Å; I143-M147 HydrophobicContact CG2-CG 3.95Å; I143-M147 HydrophobicContact CG2-SD 3.91Å; I143-M147 WeakPolarHBondContact O-CG 2.85Å; I143-M147 PolarHBondContact O-N 3.31Å; R144-M147 PolarHBondContact O-N 2.71Å; M147-S149 VanDerWaalsContact C-N 3.28Å; M147-S149 PolarHBondContact O-N 3.21Å; M147-G150 PolarHBondContact O-N 2.75Å; M147-L152 WeakPolarHBondContact CA-O 3.38Å; M147-L152 WeakPolarHBondContact CG-O 3.4Å; M147-D153 WeakPolarHBondContact CE-OD1 3.22Å; M147-F154 HydrophobicContact CE-CD1 4.14Å; M147-F154 HydrophobicContact CE-CD2 3.62Å; M147-F154 HydrophobicContact CE-CE1 4.02Å; M147-F154 HydrophobicContact CE-CE2 3.5Å; M147-F154 VanDerWaalsContact CE-CE2 3.5Å; M147-F154 HydrophobicContact CE-CG 3.98Å; M147-F154 HydrophobicContact CE-CZ 3.74Å
148D90.2Very high91.8Very high117 Ų11760.4 Ų60.463%0.62634%0.341SS*.Hα-helixtrans-70.8-23.8179.8-63.1-18.4000112R144R144-D148 WeakPolarHBondContact CG-OD2 3.44Å; R144-D148 WeakPolarHBondContact O-CB 3.2Å; R144-D148 PolarHBondContact O-N 3.12Å
149S90.3Very high91.6Very high76 Ų7668 Ų6853%0.53137%0.373SS..Hα-helixtrans-85.6-14.3171.464.50000114.4K145 I146 M147 E151K145-S149 PolarHBondContact O-N 3.39Å; K145-S149 PolarHBondContact O-OG 2.9Å; I146-S149 WeakPolarHBondContact CA-OG 3.48Å; I146-S149 PolarHBondContact O-OG 3.11Å; M147-S149 VanDerWaalsContact C-N 3.28Å; M147-S149 PolarHBondContact O-N 3.21Å; S149-E151 VanDerWaalsContact C-N 3.32Å
150G85.9Confident91.4Very high59 Ų5965 Ų6561%0.60836%0.36SS*.THydrogen-bonded Turntrans78.58-176.300000115.3I146 M147I146-G150 PolarHBondContact O-N 3.19Å; M147-G150 PolarHBondContact O-N 2.75Å
151E88.3Confident91.4Very high149 Ų14965.5 Ų65.570%0.69636%0.356SS*.SBendtrans-75-29.6177.7177-174.2174.500112.1I146 S149I146-E151 HydrophobicContact CG2-CB 3.71Å; I146-E151 HydrophobicContact CG2-CG 3.87Å; I146-E151 PolarHBondContact O-N 2.82Å; I146-E151 VanDerWaalsContact O-N 3.15Å; S149-E151 VanDerWaalsContact C-N 3.32Å
152L90.9Very high91.1Very high4 Ų465 Ų652%0.02136%0.355CS..SBendtrans-142108.3174177.280.5000109.1Y82 L93 V138 I146 M147Y82-L152 HydrophobicContact CD1-CD1 4.34Å; Y82-L152 HydrophobicContact CD2-CD1 3.69Å; Y82-L152 HydrophobicContact CE1-CD1 4.06Å; Y82-L152 HydrophobicContact CE2-CD1 3.35Å; Y82-L152 HydrophobicContact CG-CD1 4.17Å; L93-L152 HydrophobicContact CD2-CD2 4.22Å; V138-L152 HydrophobicContact CG2-CD2 4.43Å; I146-L152 HydrophobicContact CB-CB 4.29Å; I146-L152 HydrophobicContact CG2-CB 3.54Å; I146-L152 PolarHBondContact O-N 3.23Å; M147-L152 WeakPolarHBondContact CA-O 3.38Å; M147-L152 WeakPolarHBondContact CG-O 3.4Å
153D92.9Very high90.7Very high56 Ų5668.5 Ų68.530%0.29938%0.375SS..  trans-114.5173.9169.7-1581.9000111.1W95 M147 H157W95-D153 PolarHBondContact NE1-O 2.93Å; M147-D153 WeakPolarHBondContact CE-OD1 3.22Å; D153-H157 IonicContact OD1-CE1 3.76Å; D153-H157 IonicContact OD1-CG 3.77Å; D153-H157 IonicContact OD1-ND1 3.91Å; D153-H157 PolarHBondContact OD1-ND1 2.98Å; D153-H157 IonicContact OD2-CE1 2.74Å; D153-H157 IonicContact OD2-CG 2.68Å; D153-H157 IonicContact OD2-ND1 3.62Å; D153-H157 PolarHBondContact OD2-ND1 3.03Å
154F94.4Very high90.4Very high6 Ų673.5 Ų73.53%0.02641%0.406CS..  trans-59.8145.6174.9-58.5-73.5000111.7F98 C100 P101 W132 M147 Q156 H157 C165F98-F154 AromaticContact CD1-CD1 3.88Å; F98-F154 HydrophobicContact CD1-CD1 3.88Å; F98-F154 HydrophobicContact CD2-CD1 4.22Å; F98-F154 HydrophobicContact CD2-CE1 4.46Å; F98-F154 AromaticContact CE1-CD1 3.59Å; F98-F154 HydrophobicContact CE1-CD1 3.59Å; F98-F154 HydrophobicContact CE1-CE1 4.02Å; F98-F154 HydrophobicContact CE1-CG 4.29Å; F98-F154 AromaticContact CE2-CD1 3.96Å; F98-F154 HydrophobicContact CE2-CD1 3.96Å; F98-F154 AromaticContact CE2-CE1 3.84Å; F98-F154 HydrophobicContact CE2-CE1 3.84Å; F98-F154 HydrophobicContact CG-CD1 4.19Å; F98-F154 AromaticContact CZ-CD1 3.64Å; F98-F154 HydrophobicContact CZ-CD1 3.64Å; F98-F154 AromaticContact CZ-CE1 3.59Å; F98-F154 HydrophobicContact CZ-CE1 3.59Å; F98-F154 CarbonylContact O-C 3.54Å; F98-F154 WeakPolarHBondContact O-CA 3.42Å; F98-F154 WeakPolarHBondContact O-CB 3.47Å; C100-F154 HydrophobicContact CB-CB 4.01Å; C100-F154 HydrophobicContact CB-CD1 4.36Å; C100-F154 HydrophobicContact CB-CD2 3.68Å; C100-F154 HydrophobicContact CB-CE2 4.12Å; C100-F154 HydrophobicContact CB-CG 3.79Å; P101-F154 VanDerWaalsContact C-CE1 3.42Å; P101-F154 VanDerWaalsContact C-CZ 3.49Å; P101-F154 WeakPolarHBondContact O-CE1 3.45Å; P101-F154 WeakPolarHBondContact O-CZ 3.44Å; W132-F154 HydrophobicContact CH2-CE1 4.29Å; M147-F154 HydrophobicContact CE-CD1 4.14Å; M147-F154 HydrophobicContact CE-CD2 3.62Å; M147-F154 HydrophobicContact CE-CE1 4.02Å; M147-F154 HydrophobicContact CE-CE2 3.5Å; M147-F154 VanDerWaalsContact CE-CE2 3.5Å; M147-F154 HydrophobicContact CE-CG 3.98Å; M147-F154 HydrophobicContact CE-CZ 3.74Å; F154-Q156 PolarHBondContact O-N 2.99Å; F154-H157 HydrophobicContact CB-CB 4Å; F154-H157 AromaticContact CD2-CD2 3.85Å; F154-H157 AromaticContact CD2-CE1 3.69Å; F154-H157 AromaticContact CD2-CG 3.93Å; F154-H157 AromaticContact CD2-ND1 3.84Å; F154-H157 AromaticContact CD2-NE2 3.68Å; F154-H157 WeakPolarHBondContact O-CB 3.49Å; F154-H157 PolarHBondContact O-N 2.92Å; F154-H157 VanDerWaalsContact O-N 3.11Å; F154-C165 HydrophobicContact CE2-CB 3.61Å; F154-C165 HydrophobicContact CZ-CB 4.02Å
155Y93.6Very high90Very high72 Ų7272.7 Ų72.728%0.28240%0.404SS..THydrogen-bonded Turntrans-58.4124.3174.9-175.5-107.2000110.7W95 K96 F98 V99 H157W95-Y155 HydrophobicContact CD2-CD2 4.48Å; W95-Y155 HydrophobicContact CE3-CD2 4.35Å; W95-Y155 HydrophobicContact CH2-CD2 4.48Å; W95-Y155 HydrophobicContact CZ3-CD2 4.36Å; W95-Y155 WeakPolarHBondContact O-CB 3.41Å; K96-Y155 HydrophobicContact CG-CE2 4.33Å; F98-Y155 PolarHBondContact O-N 2.64Å; V99-Y155 HydrophobicContact CG2-CD1 4.34Å; Y155-H157 VanDerWaalsContact C-N 3.27Å; Y155-H157 PolarHBondContact O-N 2.82Å
156Q91.1Very high89.5Confident79 Ų7974.4 Ų74.437%0.36941%0.407SS..THydrogen-bonded Turntrans52.732.7-174.7-54.3-170.428.600115.4F154 S158 K159 V160F154-Q156 PolarHBondContact O-N 2.99Å; Q156-S158 PolarHBondContact O-N 3.18Å; Q156-K159 HydrophobicContact CB-CB 4.46Å; Q156-K159 WeakPolarHBondContact O-CA 3.2Å; Q156-K159 PolarHBondContact O-N 3.07Å; Q156-V160 PolarHBondContact O-N 3.36Å
157H91.8Very high87.9Confident28 Ų2877.6 Ų77.613%0.1343%0.43CS..THydrogen-bonded Turntrans-51.8-33.6-175.6-164.5-167000115.2C100 D153 F154 Y155 K159 V160 C161 C165C100-H157 PolarHBondContact SG-NE2 3.48Å; C100-H157 VanDerWaalsContact SG-NE2 3.42Å; D153-H157 IonicContact OD1-CE1 3.76Å; D153-H157 IonicContact OD1-CG 3.77Å; D153-H157 IonicContact OD1-ND1 3.91Å; D153-H157 PolarHBondContact OD1-ND1 2.98Å; D153-H157 IonicContact OD2-CE1 2.74Å; D153-H157 IonicContact OD2-CG 2.68Å; D153-H157 IonicContact OD2-ND1 3.62Å; D153-H157 PolarHBondContact OD2-ND1 3.03Å; F154-H157 HydrophobicContact CB-CB 4Å; F154-H157 AromaticContact CD2-CD2 3.85Å; F154-H157 AromaticContact CD2-CE1 3.69Å; F154-H157 AromaticContact CD2-CG 3.93Å; F154-H157 AromaticContact CD2-ND1 3.84Å; F154-H157 AromaticContact CD2-NE2 3.68Å; F154-H157 WeakPolarHBondContact O-CB 3.49Å; F154-H157 PolarHBondContact O-N 2.92Å; F154-H157 VanDerWaalsContact O-N 3.11Å; Y155-H157 VanDerWaalsContact C-N 3.27Å; Y155-H157 PolarHBondContact O-N 2.82Å; H157-K159 VanDerWaalsContact C-N 3.25Å; H157-K159 PolarHBondContact O-N 2.81Å; H157-V160 CarbonylContact O-C 3.57Å; H157-C161 PolarHBondContact NE2-SG 3.04Å; H157-C161 VanDerWaalsContact NE2-SG 3.42Å; H157-C165 PolarHBondContact NE2-SG 3.26Å
158S87.8Confident85.8Confident122 Ų12281 Ų8185%0.85345%0.451SS*.THydrogen-bonded Turntrans-69.2-18.3177.154.70000114.5Q156Q156-S158 PolarHBondContact O-N 3.18Å
159K89.4Confident83.6Confident166 Ų16685 Ų8572%0.72246%0.464SS*.THydrogen-bonded Turntrans-103.4-37.2173.8-60.1-179.8-178.8179.20111.8Q156 H157Q156-K159 HydrophobicContact CB-CB 4.46Å; Q156-K159 WeakPolarHBondContact O-CA 3.2Å; Q156-K159 PolarHBondContact O-N 3.07Å; H157-K159 VanDerWaalsContact C-N 3.25Å; H157-K159 PolarHBondContact O-N 2.81Å
160V87.5Confident81.6Confident69 Ų6987.3 Ų87.342%0.41847%0.469SS..  trans-123.294.5-174.5-173.40000109.3V99 C100 Q156 H157V99-V160 HydrophobicContact CG1-CB 4.41Å; V99-V160 HydrophobicContact CG1-CG1 3.74Å; C100-V160 VanDerWaalsContact CB-O 3.25Å; C100-V160 WeakPolarHBondContact CB-O 3.42Å; Q156-V160 PolarHBondContact O-N 3.36Å; H157-V160 CarbonylContact O-C 3.57Å
161C91.9Very high79.3Confident53 Ų5391.4 Ų91.436%0.35848%0.476SS..  trans-128.1129.2175.1-176.70000110.5H157 N163H157-C161 PolarHBondContact NE2-SG 3.04Å; H157-C161 VanDerWaalsContact NE2-SG 3.42Å; C161-N163 VanDerWaalsContact C-N 3.27Å; C161-N163 PolarHBondContact O-N 2.84Å; C161-N163 PolarHBondContact SG-N 2.99Å
162S87.3Confident77.3Confident47 Ų4792 Ų9233%0.32948%0.483SS..  trans-83.3-0.2175.570.10000113.9C100 P101 T164C100-S162 PolarHBondContact SG-N 3.49Å; P101-S162 WeakPolarHBondContact CB-OG 3.43Å; S162-T164 PolarHBondContact O-N 3.26Å; S162-T164 PolarHBondContact O-OG1 2.87Å; S162-T164 PolarHBondContact OG-OG1 3.18Å
163N85.8Confident75.4Confident143 Ų14398 Ų9877%0.76552%0.52SS*.SBendtrans57.3-16.5-170.8-62.8-47.5000116.6C161 C165C161-N163 VanDerWaalsContact C-N 3.27Å; C161-N163 PolarHBondContact O-N 2.84Å; C161-N163 PolarHBondContact SG-N 2.99Å; N163-C165 VanDerWaalsContact C-N 3.3Å; N163-C165 PolarHBondContact O-N 3.36Å
164T86.9Confident72.9Confident107 Ų10798.7 Ų98.766%0.65654%0.54SS*.THydrogen-bonded Turntrans-82.41.1176.951.20000114.3S162S162-T164 PolarHBondContact O-N 3.26Å; S162-T164 PolarHBondContact O-OG1 2.87Å; S162-T164 PolarHBondContact OG-OG1 3.18Å
165C85.3Confident70.1Confident6 Ų6105 Ų1054%0.04158%0.58CS.*THydrogen-bonded Turntrans-86.3-15.7-16873.80000115.4C100 P101 K133 F154 H157 N163C100-C165 WeakPolarHBondContact SG-CB 3.24Å; P101-C165 HydrophobicContact CB-CB 4.03Å; K133-C165 PolarHBondContact NZ-O 2.69Å; F154-C165 HydrophobicContact CE2-CB 3.61Å; F154-C165 HydrophobicContact CZ-CB 4.02Å; H157-C165 PolarHBondContact NE2-SG 3.26Å; N163-C165 VanDerWaalsContact C-N 3.3Å; N163-C165 PolarHBondContact O-N 3.36Å
166R82.6Confident67.8Low174 Ų174112.4 Ų112.466%0.65761%0.607SS**  trans-96.493.6176-75.1-172.8170.5-127.9-6.5109.4T168R166-T168 PolarHBondContact O-N 2.88Å
167S60.1Low65.2Low77 Ų77115.6 Ų115.654%0.53863%0.631SS.*  trans-76.419-172.2-41.80000115.2
168T48.4Very low62.4Low90 Ų90120 Ų12055%0.55267%0.666SS**SBendtrans-141139.2177.345.10000109R166 I170R166-T168 PolarHBondContact O-N 2.88Å; T168-I170 PolarHBondContact O-N 2.99Å
169K43.6Very low59.7Low203 Ų203122.2 Ų122.288%0.88367%0.667SS**  trans-44.5129.4175-176.9179.6179.5-177.20110D171K169-D171 PolarHBondContact O-N 3.21Å; K169-D171 VanDerWaalsContact O-N 3.1Å
170I48Very low57Low124 Ų124125.8 Ų125.864%0.63668%0.676SS**  trans-62.6114.6177.5-64.5171.2000107.8T168 L172T168-I170 PolarHBondContact O-N 2.99Å; I170-L172 HydrophobicContact CG2-CD1 4.36Å
171D38Very low54.1Low144 Ų144128 Ų12877%0.7770%0.695SS**  trans-82.4130.5167.9-142.5-23.9000108.2K169 V173K169-D171 PolarHBondContact O-N 3.21Å; K169-D171 VanDerWaalsContact O-N 3.1Å; D171-V173 PolarHBondContact O-N 3.23Å
172L47Very low51.4Low161 Ų161134 Ų13484%0.84372%0.717SS**SBendtrans-85.624.9-158.6-145.575.7000113.7I170I170-L172 HydrophobicContact CG2-CD1 4.36Å
173V49.3Very low48.8Very low131 Ų131140.9 Ų140.979%0.79474%0.744SS**  trans-128.9112.9-169.7-176.10000109.9D171D171-V173 PolarHBondContact O-N 3.23Å
174G40.7Very low46.1Very low70 Ų70138.9 Ų138.972%0.72274%0.742SS**SBendtrans114.854.2163.600000117.8
175T35.3Very low43.4Very low139 Ų139140 Ų14085%0.85375%0.749SS**  -159126.1119.5-78.30000111
176R45.7Very low41Very low227 Ų227146.5 Ų146.586%0.85778%0.783SS**  trans-60.2156.8178.356.7-153.5159.7-175-4.9114.1
177V37.4Very low38.6Very low146 Ų146148.8 Ų148.889%0.88579%0.793SS**  trans89.982.6175.6-167.80000115.7
178S32.1Very low37.6Very low121 Ų121150.9 Ų150.985%0.84680%0.802SS**  trans-149.1158.5139.4-167.60000109.6
179L30.8Very low36.6Very low169 Ų169152.4 Ų152.489%0.88581%0.814SS**  trans-91128.8-167.4-74.6166.6000113.4S181L179-S181 PolarHBondContact O-N 3.13Å
180R33Very low36Very low240 Ų240148.8 Ų148.891%0.90681%0.809SS**  trans-12.7101.6153.8-172.1-171.7-161171.65.6115.4
181S27.9Very low35.4Very low117 Ų117149 Ų14982%0.81882%0.815SS**  trans-137.3124.8144.9-168.10000108.8L179L179-S181 PolarHBondContact O-N 3.13Å
182Q34Very low35.3Very low178 Ų178147.9 Ų147.983%0.83282%0.816SS**  trans-100.9126173-70.4176.2-10.500108.1
183Q32Very low34.4Very low191 Ų191145.9 Ų145.989%0.89382%0.816SS**  trans-153.6119.2130.3-162.5154.7-0.900109.9
184S30.1Very low33.4Very low102 Ų102145.1 Ų145.171%0.71382%0.816SS**  trans-90.2141.9174.7-49.10000110.4
185T30.9Very low33.1Very low131 Ų131145.7 Ų145.780%0.80481%0.814SS**  trans-142.2116.2144.740.10000109.1
186D33.8Very low32.9Very low141 Ų141145.9 Ų145.975%0.75481%0.81SS**  trans-69.4137.5176.3-58.8-98.1000111.7
187Y33.4Very low32.3Very low223 Ų223142.7 Ų142.788%0.87581%0.807SS**  trans-141.4120.9155.9-97.3-75.9000111
188V37.1Very low32.1Very low120 Ų120142.6 Ų142.673%0.72780%0.801SS**  trans-92.3122.3177.5175.60000109.5V190V188-V190 HydrophobicContact CG1-CG2 4.49Å; V188-V190 PolarHBondContact O-N 3.32Å
189P29.4Very low32Very low122 Ų122139.8 Ų139.879%0.79279%0.791SS**  trans-76.8108.1167.1-1229.1000109.8
190V30.8Very low31.9Very low128 Ų128137.9 Ų137.978%0.77679%0.792SS**PPolyproline II helixtrans-76.9125.3173.2174.60000109.9V188V188-V190 HydrophobicContact CG1-CG2 4.49Å; V188-V190 PolarHBondContact O-N 3.32Å
191T33.9Very low32.1Very low127 Ų127136.1 Ų136.178%0.77979%0.794SS**PPolyproline II helixtrans-83.3130.517150.80000111.8
192P37Very low32.2Very low121 Ų121134.7 Ų134.779%0.78679%0.789SS**PPolyproline II helixtrans-90.1134.1147.732.7-27.9000109.9
193S27.6Very low31.9Very low119 Ų119132.6 Ų132.683%0.83279%0.789SS**PPolyproline II helixtrans-74.4138.9173-165.40000110.3
194S28.1Very low31.8Very low115 Ų115132 Ų13280%0.80478%0.784SS**PPolyproline II helixtrans-86.9152.5157520000110.3
195A34.2Very low31.9Very low83 Ų83132.8 Ų132.869%0.68679%0.786SS**  trans-147.3146.1167.300000107.7
196D30.9Very low32.3Very low142 Ų142132.8 Ų132.876%0.75979%0.786SS**  trans64.1142166.2-58.9-25.1000117.8
197M34.6Very low32.3Very low160 Ų160134 Ų13479%0.78879%0.787SS**  cis-156.1160.8-6.3-117.1-61.4164.800112.1
198N31.3Very low32.7Very low145 Ų145129.3 Ų129.378%0.77578%0.781SS**  trans57.197.3149.7-16128.6000121.6
199G31Very low32.4Very low61 Ų61128.9 Ų128.963%0.62978%0.784SS**  56.1111.7114.800000121.7
200S29Very low32.8Very low129 Ų129127.8 Ų127.890%0.90278%0.779SS**  trans-153.9149.5139.6-84.60000111.4
201Q36.7Very low33.3Very low204 Ų204126.2 Ų126.295%0.95377%0.766SS**  trans-89.1133.4-174.8-151.3172.815.600109.8
202A31.2Very low33.5Very low86 Ų86128.6 Ų128.671%0.71177%0.769SS**  trans-135.4119.7175.900000110.4
203T27.3Very low33.4Very low135 Ų135128.1 Ų128.183%0.82876%0.764SS**PPolyproline II helixtrans-67.7132.4-178-49.20000111.3P205T203-P205 WeakPolarHBondContact O-CD 3.48Å
204F29.3Very low34.3Very low179 Ų179125 Ų12579%0.78574%0.74SS**PPolyproline II helixtrans-86.3118.8169.715.2-98.4000110.1
205P32.6Very low35Very low117 Ų117125.2 Ų125.276%0.7673%0.728SS**PPolyproline II helixtrans-73.6125.1161.9-7.325.3000108.6T203 E207T203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-E207 PolarHBondContact O-N 2.89Å
206T40Very low35.4Very low132 Ų132129.6 Ų129.681%0.8173%0.727SS**  trans-76.899.4170.4-59.10000109.1
207E31.8Very low36.2Very low166 Ų166127.1 Ų127.178%0.77672%0.717SS**  trans-123.5138.4168.6-79.2-63.2170.100110.8P205 S209P205-E207 PolarHBondContact O-N 2.89Å; E207-S209 PolarHBondContact O-N 2.85Å; E207-S209 VanDerWaalsContact O-N 3.16Å
208V43.8Very low37.1Very low124 Ų124124.9 Ų124.975%0.75271%0.712SS**  trans-88.887.8-165.7-176.90000110.7S210V208-S210 VanDerWaalsContact C-N 3.28Å; V208-S210 PolarHBondContact O-N 2.92Å
209S29.5Very low38Very low111 Ų111121.7 Ų121.778%0.77671%0.706SS**  trans-73.574.7176.7-170.90000112.4E207 D211E207-S209 PolarHBondContact O-N 2.85Å; E207-S209 VanDerWaalsContact O-N 3.16Å; S209-D211 PolarHBondContact O-N 2.74Å
210S38.4Very low39.2Very low99 Ų99123.4 Ų123.469%0.69270%0.7SS**  trans-79.540179.7-1720000113.7V208V208-S210 VanDerWaalsContact C-N 3.28Å; V208-S210 PolarHBondContact O-N 2.92Å
211D40.5Very low40.8Very low95 Ų95118.7 Ų118.751%0.50867%0.671SS.*  trans-118.9-0.1-159.4-155.333.5000115.3S209 T213 T214S209-D211 PolarHBondContact O-N 2.74Å; D211-T213 PolarHBondContact O-N 3.33Å; D211-T214 WeakPolarHBondContact O-CB 3.29Å; D211-T214 PolarHBondContact O-N 2.93Å; D211-T214 PolarHBondContact O-OG1 3.46Å; D211-T214 WeakPolarHBondContact OD1-CB 3.36Å; D211-T214 PolarHBondContact OD1-OG1 3.24Å
212E38.9Very low42.5Very low178 Ų178116.8 Ų116.883%0.83266%0.662SS**THydrogen-bonded Turntrans-72.2-17.5178.3-168.5152.17100113.1T214E212-T214 PolarHBondContact O-N 3.02Å
213T33.9Very low44.5Very low111 Ų111119.2 Ų119.268%0.68166%0.663SS**THydrogen-bonded Turntrans-68.3-21.1167.58.30000113.4D211D211-T213 PolarHBondContact O-N 3.33Å
214T46.8Very low47.1Very low54 Ų54115.2 Ų115.233%0.33164%0.641SS.*Hα-helixtrans-90.9-27.2-163.4-35.60000113.1D211 E212 W216 V217 T218D211-T214 WeakPolarHBondContact O-CB 3.29Å; D211-T214 PolarHBondContact O-N 2.93Å; D211-T214 PolarHBondContact O-OG1 3.46Å; D211-T214 WeakPolarHBondContact OD1-CB 3.36Å; D211-T214 PolarHBondContact OD1-OG1 3.24Å; E212-T214 PolarHBondContact O-N 3.02Å; T214-W216 PolarHBondContact O-N 2.84Å; T214-V217 PolarHBondContact O-N 3Å; T214-T218 PolarHBondContact O-N 3.25Å; T214-T218 PolarHBondContact O-OG1 3.11Å
215E43.4Very low49.5Very low118 Ų118110 Ų11055%0.55162%0.623SS**Hα-helixtrans-61.2-29.3-178.7-68.1-159.2155.500113K325E215-K325 IonicContact OE1-NZ 3.26Å; E215-K325 PolarHBondContact OE1-NZ 2.93Å
216W42.5Very low51.9Low176 Ų176107.7 Ų107.767%0.66761%0.608SS**Hα-helixtrans-75.8-37.2172.6-7096.4000113T214 T218 A219 I220T214-W216 PolarHBondContact O-N 2.84Å; W216-T218 VanDerWaalsContact C-N 3.26Å; W216-T218 PolarHBondContact O-N 3.08Å; W216-A219 WeakPolarHBondContact O-CB 3.37Å; W216-A219 PolarHBondContact O-N 3.31Å; W216-I220 PolarHBondContact O-N 2.9Å
217V47.8Very low54.1Low90 Ų90107.1 Ų107.155%0.54559%0.594SS.*Hα-helixtrans-65.3-34.4176.2-177.50000110.2T214 A219 I220T214-V217 PolarHBondContact O-N 3Å; V217-A219 PolarHBondContact O-N 3.38Å; V217-I220 WeakPolarHBondContact O-CB 3.47Å; V217-I220 PolarHBondContact O-N 3.23Å
218T54.2Low56.7Low112 Ų112104.9 Ų104.969%0.68758%0.578SS**THydrogen-bonded Turntrans-70.5-14.8173.7-400000113.7T214 W216T214-T218 PolarHBondContact O-N 3.25Å; T214-T218 PolarHBondContact O-OG1 3.11Å; W216-T218 VanDerWaalsContact C-N 3.26Å; W216-T218 PolarHBondContact O-N 3.08Å
219A49.2Very low58.6Low79 Ų79105.7 Ų105.765%0.65357%0.568SS**THydrogen-bonded Turntrans-86.2-17.7172.300000113W216 V217 G221W216-A219 WeakPolarHBondContact O-CB 3.37Å; W216-A219 PolarHBondContact O-N 3.31Å; V217-A219 PolarHBondContact O-N 3.38Å; A219-G221 PolarHBondContact O-N 3.39Å
220I55.9Low61.3Low97 Ų97102 Ų10250%0.49755%0.548SS..SBendtrans-76.8103.7164.8-60174.6000106.3W216 V217 V225W216-I220 PolarHBondContact O-N 2.9Å; V217-I220 WeakPolarHBondContact O-CB 3.47Å; V217-I220 PolarHBondContact O-N 3.23Å; I220-V225 HydrophobicContact CG2-CG2 4.27Å
221G63.8Low63.7Low29 Ų2998.6 Ų98.630%0.29952%0.522SS..  trans-57.4153.8-173.300000113.3A219 D223 S224 V225A219-G221 PolarHBondContact O-N 3.39Å; G221-D223 PolarHBondContact O-N 3.2Å; G221-D223 VanDerWaalsContact O-N 3.14Å; G221-S224 WeakPolarHBondContact O-CA 3.49Å; G221-S224 WeakPolarHBondContact O-CB 3.47Å; G221-S224 PolarHBondContact O-N 2.86Å; G221-V225 PolarHBondContact O-N 2.91Å
222E71.7Confident65.9Low165 Ų165101 Ų10177%0.77153%0.528SS*.Hα-helixtrans-55.3-31.9175.5-167.9171.1179.600111.7S224 V225 T226E222-S224 VanDerWaalsContact C-N 3.34Å; E222-S224 PolarHBondContact O-N 2.68Å; E222-V225 PolarHBondContact O-N 2.74Å; E222-T226 WeakPolarHBondContact O-CB 3.34Å; E222-T226 WeakPolarHBondContact O-CG2 3.38Å; E222-T226 PolarHBondContact O-N 3.27Å; E222-T226 PolarHBondContact O-OG1 2.86Å
223D74.2Confident68.2Low136 Ų13699.4 Ų99.473%0.72752%0.52SS*.Hα-helixtrans-59-37.9170.7-56.5-44.9000113.4G221 T226 F227G221-D223 PolarHBondContact O-N 3.2Å; G221-D223 VanDerWaalsContact O-N 3.14Å; D223-T226 VanDerWaalsContact CA-OG1 3.28Å; D223-T226 WeakPolarHBondContact CA-OG1 3.25Å; D223-T226 PolarHBondContact O-OG1 3.01Å; D223-T226 VanDerWaalsContact O-OG1 3.1Å; D223-F227 VanDerWaalsContact O-CB 3.29Å; D223-F227 WeakPolarHBondContact O-CB 3.11Å; D223-F227 PolarHBondContact O-N 3.02Å
224S81.2Confident70.8Confident51 Ų5197.3 Ų97.336%0.35751%0.514SS..Hα-helixtrans-74.4-38.8176.4-56.20000111.7G221 E222 T226 F227 W228G221-S224 WeakPolarHBondContact O-CA 3.49Å; G221-S224 WeakPolarHBondContact O-CB 3.47Å; G221-S224 PolarHBondContact O-N 2.86Å; E222-S224 VanDerWaalsContact C-N 3.34Å; E222-S224 PolarHBondContact O-N 2.68Å; S224-T226 VanDerWaalsContact C-N 3.35Å; S224-F227 PolarHBondContact O-N 3.29Å; S224-W228 PolarHBondContact O-N 2.99Å
225V79.8Confident72.7Confident69 Ų6997.4 Ų97.442%0.41853%0.526SS..Hα-helixtrans-68.2-36.6176.5-179.30000110.9I220 G221 E222 R229I220-V225 HydrophobicContact CG2-CG2 4.27Å; G221-V225 PolarHBondContact O-N 2.91Å; E222-V225 PolarHBondContact O-N 2.74Å; V225-R229 VanDerWaalsContact O-CB 3.24Å; V225-R229 WeakPolarHBondContact O-CB 3.38Å; V225-R229 PolarHBondContact O-N 2.89Å
226T82.1Confident74.9Confident70 Ų7095.6 Ų95.643%0.42952%0.52SS..Hα-helixtrans-74.1-33.3173.950.20000112.8E222 D223 S224 R229 G230E222-T226 WeakPolarHBondContact O-CB 3.34Å; E222-T226 WeakPolarHBondContact O-CG2 3.38Å; E222-T226 PolarHBondContact O-N 3.27Å; E222-T226 PolarHBondContact O-OG1 2.86Å; D223-T226 VanDerWaalsContact CA-OG1 3.28Å; D223-T226 WeakPolarHBondContact CA-OG1 3.25Å; D223-T226 PolarHBondContact O-OG1 3.01Å; D223-T226 VanDerWaalsContact O-OG1 3.1Å; S224-T226 VanDerWaalsContact C-N 3.35Å; T226-R229 PolarHBondContact O-N 3.42Å; T226-G230 PolarHBondContact O-N 2.81Å
227F86.3Confident77.1Confident119 Ų11989.1 Ų89.152%0.52250%0.498SS..Hα-helixtrans-59-55.3168.5168.3-97.5000111.9D223 S224 R229 G230 L231D223-F227 VanDerWaalsContact O-CB 3.29Å; D223-F227 WeakPolarHBondContact O-CB 3.11Å; D223-F227 PolarHBondContact O-N 3.02Å; S224-F227 PolarHBondContact O-N 3.29Å; F227-R229 VanDerWaalsContact C-N 3.26Å; F227-R229 PolarHBondContact O-N 2.89Å; F227-G230 PolarHBondContact O-N 3.05Å; F227-G230 VanDerWaalsContact O-N 3.11Å; F227-L231 PolarHBondContact O-N 3.34Å
228W86.1Confident79Confident119 Ų11990.9 Ų90.945%0.45150%0.5SS..Hα-helixtrans-64.3-31.4179.9-72.7116.6000112.5S224 L231 K232 L237 V240S224-W228 PolarHBondContact O-N 2.99Å; W228-L231 HydrophobicContact CE3-CD2 3.6Å; W228-L231 HydrophobicContact CZ3-CD2 3.49Å; W228-L231 VanDerWaalsContact CZ3-CD2 3.49Å; W228-K232 WeakPolarHBondContact O-CB 3.33Å; W228-K232 PolarHBondContact O-N 3.42Å; W228-L237 HydrophobicContact CE3-CD1 3.6Å; W228-L237 HydrophobicContact CZ3-CD1 3.86Å; W228-V240 HydrophobicContact CH2-CG1 4.1Å; W228-V240 HydrophobicContact CZ3-CG1 3.96Å
229R84.3Confident80.7Confident141 Ų14191 Ų9153%0.53249%0.493SS..Hα-helixtrans-63.1-50169.5177.9-176.3-54.4-75.1-4111.8V225 T226 F227 L231 K232 E233V225-R229 VanDerWaalsContact O-CB 3.24Å; V225-R229 WeakPolarHBondContact O-CB 3.38Å; V225-R229 PolarHBondContact O-N 2.89Å; T226-R229 PolarHBondContact O-N 3.42Å; F227-R229 VanDerWaalsContact C-N 3.26Å; F227-R229 PolarHBondContact O-N 2.89Å; R229-L231 VanDerWaalsContact C-N 3.32Å; R229-L231 PolarHBondContact O-N 3.26Å; R229-K232 WeakPolarHBondContact O-CB 3.47Å; R229-K232 PolarHBondContact O-N 3.37Å; R229-K232 VanDerWaalsContact O-N 3.16Å; R229-E233 WeakPolarHBondContact CD-OE1 3.37Å; R229-E233 HydrophobicContact CG-CG 4.45Å; R229-E233 WeakPolarHBondContact CG-OE1 3.21Å; R229-E233 WeakPolarHBondContact O-CB 3.43Å; R229-E233 WeakPolarHBondContact O-CG 3.36Å; R229-E233 PolarHBondContact O-N 2.85Å
230G86.6Confident82.7Confident35 Ų3590 Ų9036%0.36148%0.479SS..Hα-helixtrans-62.5-37.5178.200000112.7T226 F227 E233 A234T226-G230 PolarHBondContact O-N 2.81Å; F227-G230 PolarHBondContact O-N 3.05Å; F227-G230 VanDerWaalsContact O-N 3.11Å; G230-E233 PolarHBondContact O-N 3.1Å; G230-A234 VanDerWaalsContact O-CB 3.31Å; G230-A234 WeakPolarHBondContact O-CB 3.25Å; G230-A234 PolarHBondContact O-N 3.34Å
231L88.1Confident84.3Confident26 Ų2688.4 Ų88.414%0.13647%0.473CS..Hα-helixtrans-64.6-39.4173.7-165.375.8000111.8F227 W228 R229 A234 G235 L236 L237 V240F227-L231 PolarHBondContact O-N 3.34Å; W228-L231 HydrophobicContact CE3-CD2 3.6Å; W228-L231 HydrophobicContact CZ3-CD2 3.49Å; W228-L231 VanDerWaalsContact CZ3-CD2 3.49Å; R229-L231 VanDerWaalsContact C-N 3.32Å; R229-L231 PolarHBondContact O-N 3.26Å; L231-A234 PolarHBondContact O-N 3.3Å; L231-G235 PolarHBondContact O-N 2.86Å; L231-L236 HydrophobicContact CD1-CB 3.71Å; L231-L236 HydrophobicContact CD1-CD1 4.33Å; L231-L236 HydrophobicContact CG-CB 4.08Å; L231-L236 PolarHBondContact O-N 2.82Å; L231-L237 HydrophobicContact CD2-CD1 4.23Å; L231-L237 PolarHBondContact O-N 3.42Å; L231-V240 HydrophobicContact CD2-CB 4.13Å; L231-V240 HydrophobicContact CD2-CG1 4.2Å; L231-V240 HydrophobicContact CD2-CG2 4.15Å
232K86.4Confident85.6Confident145 Ų14593.2 Ų93.263%0.6349%0.488SS*.Hα-helixtrans-67.3-42.3173.5-171.2172.3-178.41660112.7W228 R229 A234 G235 L237W228-K232 WeakPolarHBondContact O-CB 3.33Å; W228-K232 PolarHBondContact O-N 3.42Å; R229-K232 WeakPolarHBondContact O-CB 3.47Å; R229-K232 PolarHBondContact O-N 3.37Å; R229-K232 VanDerWaalsContact O-N 3.16Å; K232-A234 PolarHBondContact O-N 2.88Å; K232-G235 PolarHBondContact O-N 3.36Å; K232-L237 HydrophobicContact CB-CB 4.17Å; K232-L237 HydrophobicContact CB-CD2 3.9Å; K232-L237 HydrophobicContact CD-CD2 3.89Å; K232-L237 HydrophobicContact CG-CD2 3.88Å
233E88.6Confident86.6Confident146 Ų14689.6 Ų89.668%0.68247%0.474SS*.Hα-helixtrans-68.8-24.8177.1-72.7167.5-168.300112R229 G230R229-E233 WeakPolarHBondContact CD-OE1 3.37Å; R229-E233 HydrophobicContact CG-CG 4.45Å; R229-E233 WeakPolarHBondContact CG-OE1 3.21Å; R229-E233 WeakPolarHBondContact O-CB 3.43Å; R229-E233 WeakPolarHBondContact O-CG 3.36Å; R229-E233 PolarHBondContact O-N 2.85Å; G230-E233 PolarHBondContact O-N 3.1Å
234A86.9Confident87.4Confident66 Ų6689.1 Ų89.155%0.54547%0.465SS..THydrogen-bonded Turntrans-82.2-6.3168.700000114.4G230 L231 K232 L236G230-A234 VanDerWaalsContact O-CB 3.31Å; G230-A234 WeakPolarHBondContact O-CB 3.25Å; G230-A234 PolarHBondContact O-N 3.34Å; L231-A234 PolarHBondContact O-N 3.3Å; K232-A234 PolarHBondContact O-N 2.88Å; A234-L236 HydrophobicContact CB-CD1 4.32Å; A234-L236 HydrophobicContact CB-CG 4.34Å; A234-L236 PolarHBondContact O-N 2.83Å
235G87.9Confident87.9Confident57 Ų5792.5 Ų92.559%0.58848%0.476SS*.THydrogen-bonded Turntrans78.4-5.8-177.900000115.8L231 K232 L237L231-G235 PolarHBondContact O-N 2.86Å; K232-G235 PolarHBondContact O-N 3.36Å; G235-L237 VanDerWaalsContact C-N 3.29Å; G235-L237 PolarHBondContact O-N 3.49Å
236L88.6Confident88.6Confident80 Ų8094.3 Ų94.342%0.41948%0.478SS..THydrogen-bonded Turntrans-81.5-1.7-174.6-60.8173.4000114L231 A234 E239 V240L231-L236 HydrophobicContact CD1-CB 3.71Å; L231-L236 HydrophobicContact CD1-CD1 4.33Å; L231-L236 HydrophobicContact CG-CB 4.08Å; L231-L236 PolarHBondContact O-N 2.82Å; A234-L236 HydrophobicContact CB-CD1 4.32Å; A234-L236 HydrophobicContact CB-CG 4.34Å; A234-L236 PolarHBondContact O-N 2.83Å; L236-E239 WeakPolarHBondContact CD2-OE2 3.36Å; L236-V240 WeakPolarHBondContact O-CG2 3.5Å; L236-V240 PolarHBondContact O-N 3.41Å
237L89.1Confident89.2Confident39 Ų3996.9 Ų96.920%0.20449%0.485CS..Hα-helixtrans-64-40.5-178.9178.766.1000112.3W228 L231 K232 G235 V241W228-L237 HydrophobicContact CE3-CD1 3.6Å; W228-L237 HydrophobicContact CZ3-CD1 3.86Å; L231-L237 HydrophobicContact CD2-CD1 4.23Å; L231-L237 PolarHBondContact O-N 3.42Å; K232-L237 HydrophobicContact CB-CB 4.17Å; K232-L237 HydrophobicContact CB-CD2 3.9Å; K232-L237 HydrophobicContact CD-CD2 3.89Å; K232-L237 HydrophobicContact CG-CD2 3.88Å; G235-L237 VanDerWaalsContact C-N 3.29Å; G235-L237 PolarHBondContact O-N 3.49Å; L237-V241 HydrophobicContact CD1-CG2 4.12Å; L237-V241 HydrophobicContact CG-CG2 4.41Å; L237-V241 WeakPolarHBondContact O-CB 3.19Å; L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.34Å; L237-V241 PolarHBondContact O-N 3.48Å
238E87.7Confident89.4Confident127 Ų12795 Ų9559%0.59348%0.479SS*.Hα-helixtrans-68.1-48.7-176.2-147.970.6-158.600110.5V240 V241 E242E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.31Å; E238-V241 CarbonylContact O-C 3.54Å; E238-V241 PolarHBondContact O-N 2.92Å; E238-E242 WeakPolarHBondContact O-CG 3.43Å; E238-E242 PolarHBondContact O-N 2.91Å
239E90.3Very high89.8Confident116 Ų11695.3 Ų95.354%0.54249%0.486SS..Hα-helixtrans-53.6-46.4175.6-176175.8-154.900111.9L236 V241 E242 D243L236-E239 WeakPolarHBondContact CD2-OE2 3.36Å; E239-V241 PolarHBondContact O-N 3.35Å; E239-E242 PolarHBondContact O-N 2.89Å; E239-D243 WeakPolarHBondContact O-CB 3.39Å; E239-D243 PolarHBondContact O-N 3.31Å
240V91.8Very high90.3Very high57 Ų5794.2 Ų94.235%0.34549%0.487SS..Hα-helixtrans-69.4-29.7177.9170.10000112.8W228 L231 L236 E238 F244W228-V240 HydrophobicContact CH2-CG1 4.1Å; W228-V240 HydrophobicContact CZ3-CG1 3.96Å; L231-V240 HydrophobicContact CD2-CB 4.13Å; L231-V240 HydrophobicContact CD2-CG1 4.2Å; L231-V240 HydrophobicContact CD2-CG2 4.15Å; L236-V240 WeakPolarHBondContact O-CG2 3.5Å; L236-V240 PolarHBondContact O-N 3.41Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.31Å; V240-F244 WeakPolarHBondContact O-CB 3.25Å; V240-F244 PolarHBondContact O-N 3.01Å; V240-F244 VanDerWaalsContact O-N 3.08Å
241V89Confident90.5Very high64 Ų6496.4 Ų96.439%0.38849%0.493SS..Hα-helixtrans-76.7-39.3174.6168.20000111.2L237 E238 E239 F244 Q245L237-V241 HydrophobicContact CD1-CG2 4.12Å; L237-V241 HydrophobicContact CG-CG2 4.41Å; L237-V241 WeakPolarHBondContact O-CB 3.19Å; L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.34Å; L237-V241 PolarHBondContact O-N 3.48Å; E238-V241 CarbonylContact O-C 3.54Å; E238-V241 PolarHBondContact O-N 2.92Å; E239-V241 PolarHBondContact O-N 3.35Å; V241-F244 PolarHBondContact O-N 3.47Å; V241-Q245 VanDerWaalsContact O-CB 3.23Å; V241-Q245 WeakPolarHBondContact O-CB 3.5Å; V241-Q245 PolarHBondContact O-N 3.33Å
242E91.5Very high90.5Very high129 Ų129100.2 Ų100.260%0.60351%0.513SS*.Hα-helixtrans-63.9-47.5174.1-73-174.9168.100111.3E238 E239 Q245 K246E238-E242 WeakPolarHBondContact O-CG 3.43Å; E238-E242 PolarHBondContact O-N 2.91Å; E239-E242 PolarHBondContact O-N 2.89Å; E242-Q245 PolarHBondContact O-N 3.25Å; E242-K246 VanDerWaalsContact O-CB 3.24Å; E242-K246 WeakPolarHBondContact O-CB 3.33Å; E242-K246 PolarHBondContact O-N 2.68Å
243D91.7Very high90.7Very high89 Ų8999.4 Ų99.448%0.47651%0.51SS..Hα-helixtrans-64.1-40.9175.8-95.3-21.2000112E239 K246 E247E239-D243 WeakPolarHBondContact O-CB 3.39Å; E239-D243 PolarHBondContact O-N 3.31Å; D243-K246 PolarHBondContact O-N 3.26Å; D243-K246 IonicContact OD1-NZ 2.98Å; D243-E247 WeakPolarHBondContact O-CB 3.46Å; D243-E247 PolarHBondContact O-N 2.8Å
244F91.9Very high90.7Very high126 Ų12693.4 Ų93.455%0.55349%0.487SS*.Hα-helixtrans-67-39176-178.5-113000112.4V240 V241 K246 I248V240-F244 WeakPolarHBondContact O-CB 3.25Å; V240-F244 PolarHBondContact O-N 3.01Å; V240-F244 VanDerWaalsContact O-N 3.08Å; V241-F244 PolarHBondContact O-N 3.47Å; F244-K246 VanDerWaalsContact C-N 3.35Å; F244-I248 HydrophobicContact CD1-CD1 3.93Å; F244-I248 HydrophobicContact CD2-CD1 4.5Å; F244-I248 HydrophobicContact CE1-CD1 3.48Å; F244-I248 VanDerWaalsContact CE1-CD1 3.48Å; F244-I248 HydrophobicContact CE2-CD1 4.1Å; F244-I248 HydrophobicContact CE2-CG1 4.48Å; F244-I248 HydrophobicContact CG-CD1 4.43Å; F244-I248 HydrophobicContact CZ-CD1 3.59Å; F244-I248 HydrophobicContact CZ-CG1 4.41Å; F244-I248 WeakPolarHBondContact O-CB 3.25Å; F244-I248 WeakPolarHBondContact O-CG1 3.37Å; F244-I248 PolarHBondContact O-N 2.91Å
245Q91.3Very high90.4Very high123 Ų12394.5 Ų94.558%0.57548%0.482SS*.Hα-helixtrans-63.4-42.2173.2177.1173.9-29.200111.1V241 E242 Q249V241-Q245 VanDerWaalsContact O-CB 3.23Å; V241-Q245 WeakPolarHBondContact O-CB 3.5Å; V241-Q245 PolarHBondContact O-N 3.33Å; E242-Q245 PolarHBondContact O-N 3.25Å; Q245-Q249 VanDerWaalsContact O-CB 3.31Å; Q245-Q249 WeakPolarHBondContact O-CB 3.36Å; Q245-Q249 PolarHBondContact O-N 2.99Å
246K95.1Very high90.1Very high106 Ų10697 Ų9746%0.46148%0.479SS..Hα-helixtrans-65.6-45.3176.2175.9-174.3160.4-154.40112E242 D243 F244 I248 Q249 E250E242-K246 VanDerWaalsContact O-CB 3.24Å; E242-K246 WeakPolarHBondContact O-CB 3.33Å; E242-K246 PolarHBondContact O-N 2.68Å; D243-K246 PolarHBondContact O-N 3.26Å; D243-K246 IonicContact OD1-NZ 2.98Å; F244-K246 VanDerWaalsContact C-N 3.35Å; K246-I248 PolarHBondContact O-N 3Å; K246-Q249 CarbonylContact O-C 3.52Å; K246-Q249 PolarHBondContact O-N 2.98Å; K246-Q249 VanDerWaalsContact O-N 3.08Å; K246-E250 WeakPolarHBondContact CE-OE1 3.45Å; K246-E250 WeakPolarHBondContact O-CB 3.48Å; K246-E250 WeakPolarHBondContact O-CG 3.24Å; K246-E250 PolarHBondContact O-N 3.31Å
247E93.6Very high89.8Confident125 Ų12598.1 Ų98.158%0.58448%0.482SS*.Hα-helixtrans-61.2-44.2176.1-173.3-179.9-157.600110.8D243 Q249 E250 V251D243-E247 WeakPolarHBondContact O-CB 3.46Å; D243-E247 PolarHBondContact O-N 2.8Å; E247-Q249 VanDerWaalsContact C-N 3.31Å; E247-Q249 PolarHBondContact O-N 2.99Å; E247-E250 PolarHBondContact O-N 3.24Å; E247-V251 WeakPolarHBondContact O-CB 3.43Å; E247-V251 VanDerWaalsContact O-CG2 3.29Å; E247-V251 WeakPolarHBondContact O-CG2 3.44Å; E247-V251 PolarHBondContact O-N 3.41Å
248I92Very high89.1Confident78 Ų78104.3 Ų104.340%0.450%0.502SS..Hα-helixtrans-58.2-44.1171.3-75.5173.3000111F244 K246 V251 L252F244-I248 HydrophobicContact CD1-CD1 3.93Å; F244-I248 HydrophobicContact CD2-CD1 4.5Å; F244-I248 HydrophobicContact CE1-CD1 3.48Å; F244-I248 VanDerWaalsContact CE1-CD1 3.48Å; F244-I248 HydrophobicContact CE2-CD1 4.1Å; F244-I248 HydrophobicContact CE2-CG1 4.48Å; F244-I248 HydrophobicContact CG-CD1 4.43Å; F244-I248 HydrophobicContact CZ-CD1 3.59Å; F244-I248 HydrophobicContact CZ-CG1 4.41Å; F244-I248 WeakPolarHBondContact O-CB 3.25Å; F244-I248 WeakPolarHBondContact O-CG1 3.37Å; F244-I248 PolarHBondContact O-N 2.91Å; K246-I248 PolarHBondContact O-N 3Å; I248-V251 PolarHBondContact O-N 3.16Å; I248-L252 HydrophobicContact CG2-CD1 3.75Å; I248-L252 HydrophobicContact CG2-CG 4.3Å; I248-L252 VanDerWaalsContact O-CB 3.28Å; I248-L252 WeakPolarHBondContact O-CB 3.41Å; I248-L252 VanDerWaalsContact O-CG 3.24Å; I248-L252 WeakPolarHBondContact O-CG 3.23Å; I248-L252 PolarHBondContact O-N 3.43Å
249Q92.8Very high88.3Confident127 Ų127104 Ų10459%0.59350%0.503SS*.Hα-helixtrans-69.7-35.9-178.2-168.2168.34.900112.5Q245 K246 E247 K253Q245-Q249 VanDerWaalsContact O-CB 3.31Å; Q245-Q249 WeakPolarHBondContact O-CB 3.36Å; Q245-Q249 PolarHBondContact O-N 2.99Å; K246-Q249 CarbonylContact O-C 3.52Å; K246-Q249 PolarHBondContact O-N 2.98Å; K246-Q249 VanDerWaalsContact O-N 3.08Å; E247-Q249 VanDerWaalsContact C-N 3.31Å; E247-Q249 PolarHBondContact O-N 2.99Å; Q249-K253 WeakPolarHBondContact O-CB 3.24Å; Q249-K253 PolarHBondContact O-N 2.92Å
250E94.6Very high87.3Confident117 Ų117102.7 Ų102.755%0.54750%0.503SS..Hα-helixtrans-69.5-42.2173.2-74-179.1-165.300111.6K246 E247 K253 G254K246-E250 WeakPolarHBondContact CE-OE1 3.45Å; K246-E250 WeakPolarHBondContact O-CB 3.48Å; K246-E250 WeakPolarHBondContact O-CG 3.24Å; K246-E250 PolarHBondContact O-N 3.31Å; E247-E250 PolarHBondContact O-N 3.24Å; E250-K253 PolarHBondContact O-N 3.42Å; E250-G254 PolarHBondContact O-N 3.1Å
251V91.9Very high86.1Confident81 Ų81106.4 Ų106.449%0.49152%0.517SS..Hα-helixtrans-64.6-43.7173.81700000111.3E247 I248 G254 M255E247-V251 WeakPolarHBondContact O-CB 3.43Å; E247-V251 VanDerWaalsContact O-CG2 3.29Å; E247-V251 WeakPolarHBondContact O-CG2 3.44Å; E247-V251 PolarHBondContact O-N 3.41Å; I248-V251 PolarHBondContact O-N 3.16Å; V251-G254 PolarHBondContact O-N 3.08Å; V251-M255 HydrophobicContact CG1-SD 4.34Å; V251-M255 WeakPolarHBondContact O-CB 3.25Å; V251-M255 WeakPolarHBondContact O-CG 3.45Å; V251-M255 PolarHBondContact O-N 3.12Å
252L87.1Confident85.2Confident107 Ų107108.1 Ų108.156%0.5653%0.53SS*.Hα-helixtrans-64.4-39.8175.4-75.6173.9000111.7I248 M255 Q256I248-L252 HydrophobicContact CG2-CD1 3.75Å; I248-L252 HydrophobicContact CG2-CG 4.3Å; I248-L252 VanDerWaalsContact O-CB 3.28Å; I248-L252 WeakPolarHBondContact O-CB 3.41Å; I248-L252 VanDerWaalsContact O-CG 3.24Å; I248-L252 WeakPolarHBondContact O-CG 3.23Å; I248-L252 PolarHBondContact O-N 3.43Å; L252-M255 PolarHBondContact O-N 2.8Å; L252-Q256 WeakPolarHBondContact O-CB 3.32Å; L252-Q256 PolarHBondContact O-N 3.12Å
253K91.8Very high84.1Confident127 Ų127107.6 Ų107.655%0.55254%0.538SS*.Hα-helixtrans-62.5-50.3173.4178.1-179.8167.1-174.30111.4Q249 E250 M255 Q256 E257Q249-K253 WeakPolarHBondContact O-CB 3.24Å; Q249-K253 PolarHBondContact O-N 2.92Å; E250-K253 PolarHBondContact O-N 3.42Å; K253-M255 PolarHBondContact O-N 3.08Å; K253-Q256 CarbonylContact O-C 3.45Å; K253-Q256 PolarHBondContact O-N 2.77Å; K253-E257 WeakPolarHBondContact CE-OE1 3.38Å; K253-E257 HydrophobicContact CG-CG 4.43Å; K253-E257 IonicContact NZ-OE1 2.7Å; K253-E257 WeakPolarHBondContact O-CG 3.24Å; K253-E257 PolarHBondContact O-N 3.09Å
254G87.9Confident82.9Confident21 Ų21109.5 Ų109.522%0.21655%0.547CS..Hα-helixtrans-68.2-16.7176.900000114.2E250 V251 R258E250-G254 PolarHBondContact O-N 3.1Å; V251-G254 PolarHBondContact O-N 3.08Å; G254-R258 PolarHBondContact O-NE 2.94Å; G254-R258 PolarHBondContact O-NH2 3.21Å
255M81.1Confident82.2Confident88 Ų88108.8 Ų108.843%0.43355%0.545SS..Hα-helixtrans-80-45.1164.3-77-177.763.900111.7V251 L252 K253 E257 R258 I259V251-M255 HydrophobicContact CG1-SD 4.34Å; V251-M255 WeakPolarHBondContact O-CB 3.25Å; V251-M255 WeakPolarHBondContact O-CG 3.45Å; V251-M255 PolarHBondContact O-N 3.12Å; L252-M255 PolarHBondContact O-N 2.8Å; K253-M255 PolarHBondContact O-N 3.08Å; M255-E257 PolarHBondContact O-N 2.81Å; M255-R258 PolarHBondContact O-N 3.29Å; M255-I259 WeakPolarHBondContact O-CB 3.25Å; M255-I259 WeakPolarHBondContact O-CD1 3.24Å; M255-I259 VanDerWaalsContact O-CG1 3.22Å; M255-I259 WeakPolarHBondContact O-CG1 3.32Å; M255-I259 PolarHBondContact O-N 2.92Å
256Q81.9Confident81.5Confident111 Ų111108.5 Ų108.552%0.51955%0.552SS.*Hα-helixtrans-61.3-42.6178.1-178.458.64700111.5L252 K253 I259 T260L252-Q256 WeakPolarHBondContact O-CB 3.32Å; L252-Q256 PolarHBondContact O-N 3.12Å; K253-Q256 CarbonylContact O-C 3.45Å; K253-Q256 PolarHBondContact O-N 2.77Å; Q256-I259 CarbonylContact O-C 3.49Å; Q256-I259 PolarHBondContact O-N 3.02Å; Q256-I259 VanDerWaalsContact O-N 3.07Å; Q256-T260 PolarHBondContact NE2-OG1 2.8Å; Q256-T260 WeakPolarHBondContact O-CB 3.28Å; Q256-T260 PolarHBondContact O-N 3.06Å; Q256-T260 PolarHBondContact O-OG1 3.43Å
257E82.3Confident80.7Confident103 Ų103109.2 Ų109.248%0.48156%0.561SS.*Hα-helixtrans-58.6-49.8176.6-73.4167.3166.200110.9K253 M255 I259 T260 E261K253-E257 WeakPolarHBondContact CE-OE1 3.38Å; K253-E257 HydrophobicContact CG-CG 4.43Å; K253-E257 IonicContact NZ-OE1 2.7Å; K253-E257 WeakPolarHBondContact O-CG 3.24Å; K253-E257 PolarHBondContact O-N 3.09Å; M255-E257 PolarHBondContact O-N 2.81Å; E257-I259 PolarHBondContact O-N 2.92Å; E257-T260 CarbonylContact O-C 3.43Å; E257-T260 PolarHBondContact O-N 2.81Å; E257-E261 PolarHBondContact O-N 3.46Å
258R75.2Confident80.1Confident168 Ų168106.5 Ų106.563%0.63455%0.55SS**Hα-helixtrans-68.7-9.1174.4-69.6-178-65.8154.3-0.1115.4G254 M255G254-R258 PolarHBondContact O-NE 2.94Å; G254-R258 PolarHBondContact O-NH2 3.21Å; M255-R258 PolarHBondContact O-N 3.29Å
259I69.9Low79.6Confident120 Ų120105 Ų10562%0.61555%0.549SS*.Hα-helixtrans-97.5-21.8170.8-70.3165.1000110.8M255 Q256 E257M255-I259 WeakPolarHBondContact O-CB 3.25Å; M255-I259 WeakPolarHBondContact O-CD1 3.24Å; M255-I259 VanDerWaalsContact O-CG1 3.22Å; M255-I259 WeakPolarHBondContact O-CG1 3.32Å; M255-I259 PolarHBondContact O-N 2.92Å; Q256-I259 CarbonylContact O-C 3.49Å; Q256-I259 PolarHBondContact O-N 3.02Å; Q256-I259 VanDerWaalsContact O-N 3.07Å; E257-I259 PolarHBondContact O-N 2.92Å
260T68.6Low79.1Confident89 Ų89102.4 Ų102.455%0.54654%0.542SS..Hα-helixtrans-90.6-25179.3-49.90000111.5Q256 E257 P262Q256-T260 PolarHBondContact NE2-OG1 2.8Å; Q256-T260 WeakPolarHBondContact O-CB 3.28Å; Q256-T260 PolarHBondContact O-N 3.06Å; Q256-T260 PolarHBondContact O-OG1 3.43Å; E257-T260 CarbonylContact O-C 3.43Å; E257-T260 PolarHBondContact O-N 2.81Å; T260-P262 WeakPolarHBondContact O-CD 3.31Å; T260-P262 VanDerWaalsContact O-N 3.13Å
261E67.9Low78.6Confident135 Ų135101.8 Ų101.863%0.63154%0.542SS*.SBendtrans-50.5113.9160.3-77.6-174165.100109.4E257E257-E261 PolarHBondContact O-N 3.46Å
262P69.1Low78.1Confident100 Ų100102.1 Ų102.165%0.64954%0.541SS*.  trans-63.6138.2-179-22.134.2000110.1T260 L264T260-P262 WeakPolarHBondContact O-CD 3.31Å; T260-P262 VanDerWaalsContact O-N 3.13Å; P262-L264 PolarHBondContact O-N 2.84Å
263P68.1Low77.8Confident119 Ų11999.8 Ų99.877%0.77353%0.528SS*.  trans-58127169.525.8-33.2000108.5Q265P263-Q265 PolarHBondContact O-N 2.78Å; P263-Q265 VanDerWaalsContact O-N 3.09Å
264L67.2Low77.4Confident128 Ų12897.2 Ų97.267%0.6752%0.521SS*.  trans-34.7115.3-177.9-92.8165.3000111.2P262 D268 L272P262-L264 PolarHBondContact O-N 2.84Å; L264-D268 HydrophobicContact CD2-CB 4.23Å; L264-L272 HydrophobicContact CD2-CD1 4.18Å
265Q77.5Confident77.1Confident111 Ų11199.7 Ų99.752%0.51953%0.529SS..  trans-65.8151-171.3-51.8-169.420.800109.6P263 N267 D268 A269P263-Q265 PolarHBondContact O-N 2.78Å; P263-Q265 VanDerWaalsContact O-N 3.09Å; Q265-N267 PolarHBondContact O-N 3.47Å; Q265-N267 VanDerWaalsContact O-N 3.1Å; Q265-D268 VanDerWaalsContact CB-OD2 3.27Å; Q265-D268 WeakPolarHBondContact CB-OD2 3.29Å; Q265-D268 WeakPolarHBondContact CG-OD2 3.4Å; Q265-D268 PolarHBondContact N-OD2 3.06Å; Q265-D268 PolarHBondContact O-N 2.87Å; Q265-A269 PolarHBondContact O-N 2.87Å
266V76.3Confident76.9Confident117 Ų11796.4 Ų96.471%0.70951%0.513SS*.Hα-helixtrans-56.8-33.8-178.1-174.30000111.1V270V266-V270 WeakPolarHBondContact O-CB 3.02Å; V266-V270 VanDerWaalsContact O-CG2 3.26Å; V266-V270 WeakPolarHBondContact O-CG2 3.49Å; V266-V270 PolarHBondContact O-N 3.38Å
267N78Confident76.7Confident122 Ų12296 Ų9665%0.65251%0.511SS*.Hα-helixtrans-66.2-45.4174.9-63.2-21.9000112.5Q265 V270 L271Q265-N267 PolarHBondContact O-N 3.47Å; Q265-N267 VanDerWaalsContact O-N 3.1Å; N267-V270 PolarHBondContact O-N 2.78Å; N267-L271 WeakPolarHBondContact O-CB 3.38Å; N267-L271 PolarHBondContact O-N 3.48Å
268D81.7Confident76.4Confident67 Ų6797.7 Ų97.736%0.35852%0.524SS..Hα-helixtrans-66-40.9178.7-51.4-34.7000110.8L264 Q265 V270 L271 L272L264-D268 HydrophobicContact CD2-CB 4.23Å; Q265-D268 VanDerWaalsContact CB-OD2 3.27Å; Q265-D268 WeakPolarHBondContact CB-OD2 3.29Å; Q265-D268 WeakPolarHBondContact CG-OD2 3.4Å; Q265-D268 PolarHBondContact N-OD2 3.06Å; Q265-D268 PolarHBondContact O-N 2.87Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.44Å; D268-L271 PolarHBondContact O-N 2.89Å; D268-L272 VanDerWaalsContact O-CB 3.31Å; D268-L272 WeakPolarHBondContact O-CB 3.12Å; D268-L272 VanDerWaalsContact O-CG 3.27Å; D268-L272 WeakPolarHBondContact O-CG 3.44Å; D268-L272 PolarHBondContact O-N 3.27Å
269A81.1Confident76.6Confident46 Ų4697 Ų9738%0.3853%0.526SS..Hα-helixtrans-63.3-37.1174.500000112.4Q265 N273Q265-A269 PolarHBondContact O-N 2.87Å; A269-N273 VanDerWaalsContact O-CB 3.22Å; A269-N273 WeakPolarHBondContact O-CB 3.45Å; A269-N273 PolarHBondContact O-N 3.08Å
270V82.6Confident77.2Confident74 Ų7494.2 Ų94.245%0.44853%0.526SS..Hα-helixtrans-69.7-42.4173166.60000111.4V266 N267 D268 N273 N274V266-V270 WeakPolarHBondContact O-CB 3.02Å; V266-V270 VanDerWaalsContact O-CG2 3.26Å; V266-V270 WeakPolarHBondContact O-CG2 3.49Å; V266-V270 PolarHBondContact O-N 3.38Å; N267-V270 PolarHBondContact O-N 2.78Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.44Å; V270-N273 PolarHBondContact O-N 3.4Å; V270-N274 WeakPolarHBondContact O-CB 3.24Å; V270-N274 PolarHBondContact O-N 3.43Å; V270-N274 PolarHBondContact O-ND2 2.79Å; V270-N274 PolarHBondContact O-OD1 3.32Å
271L84.5Confident78Confident104 Ų10494.2 Ų94.255%0.54552%0.521SS..Hα-helixtrans-62.8-47.4176.8-175.766.2000111.3N267 D268 N273 N274 I275N267-L271 WeakPolarHBondContact O-CB 3.38Å; N267-L271 PolarHBondContact O-N 3.48Å; D268-L271 PolarHBondContact O-N 2.89Å; L271-N273 PolarHBondContact O-N 3.25Å; L271-N274 PolarHBondContact O-N 3.08Å; L271-I275 HydrophobicContact CG-CD1 4.09Å; L271-I275 WeakPolarHBondContact O-CG1 3.35Å; L271-I275 PolarHBondContact O-N 2.95Å
272L80.4Confident78.7Confident88 Ų8889.9 Ų89.946%0.46150%0.502SS..Hα-helixtrans-59.9-44.1173.7-74169.1000111.4L264 D268 N274 I275 V276L264-L272 HydrophobicContact CD2-CD1 4.18Å; D268-L272 VanDerWaalsContact O-CB 3.31Å; D268-L272 WeakPolarHBondContact O-CB 3.12Å; D268-L272 VanDerWaalsContact O-CG 3.27Å; D268-L272 WeakPolarHBondContact O-CG 3.44Å; D268-L272 PolarHBondContact O-N 3.27Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-N274 PolarHBondContact O-N 2.9Å; L272-I275 PolarHBondContact O-N 3.1Å; L272-V276 WeakPolarHBondContact O-CB 3.33Å; L272-V276 WeakPolarHBondContact O-CG2 3.38Å; L272-V276 PolarHBondContact O-N 2.87Å
273N81.1Confident79.4Confident57 Ų5790.2 Ų90.231%0.30550%0.498SS..Hα-helixtrans-58.8-43.9173.7167.983.6000111.8A269 V270 L271 V276 Q277A269-N273 VanDerWaalsContact O-CB 3.22Å; A269-N273 WeakPolarHBondContact O-CB 3.45Å; A269-N273 PolarHBondContact O-N 3.08Å; V270-N273 PolarHBondContact O-N 3.4Å; L271-N273 PolarHBondContact O-N 3.25Å; N273-V276 PolarHBondContact O-N 2.59Å; N273-Q277 PolarHBondContact ND2-NE2 2.92Å; N273-Q277 WeakPolarHBondContact O-CB 3.2Å; N273-Q277 VanDerWaalsContact O-CG 3.28Å; N273-Q277 WeakPolarHBondContact O-CG 3.4Å; N273-Q277 PolarHBondContact O-N 3.23Å; N273-Q277 PolarHBondContact OD1-NE2 3.21Å
274N83Confident80.3Confident74 Ų7489.5 Ų89.540%0.39649%0.488SS..Hα-helixtrans-66.3-42.6-179.9-66.8-13.2000111.6V270 L271 L272 Q277 N278V270-N274 WeakPolarHBondContact O-CB 3.24Å; V270-N274 PolarHBondContact O-N 3.43Å; V270-N274 PolarHBondContact O-ND2 2.79Å; V270-N274 PolarHBondContact O-OD1 3.32Å; L271-N274 PolarHBondContact O-N 3.08Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-N274 PolarHBondContact O-N 2.9Å; N274-Q277 PolarHBondContact O-N 3.42Å; N274-N278 WeakPolarHBondContact O-CB 3.4Å; N274-N278 PolarHBondContact O-N 3.48Å; N274-N278 PolarHBondContact O-ND2 2.98Å
275I81.8Confident81.2Confident73 Ų7385.8 Ų85.837%0.37447%0.47SS..Hα-helixtrans-58.5-49.9172.2-70.1166.3000110.2L271 L272 Q277 N278 F279L271-I275 HydrophobicContact CG-CD1 4.09Å; L271-I275 WeakPolarHBondContact O-CG1 3.35Å; L271-I275 PolarHBondContact O-N 2.95Å; L272-I275 PolarHBondContact O-N 3.1Å; I275-Q277 VanDerWaalsContact C-N 3.31Å; I275-Q277 PolarHBondContact O-N 3.4Å; I275-N278 PolarHBondContact O-N 3.24Å; I275-F279 HydrophobicContact CG2-CD2 3.79Å; I275-F279 HydrophobicContact CG2-CE2 3.96Å; I275-F279 VanDerWaalsContact O-CD2 3.26Å; I275-F279 WeakPolarHBondContact O-CD2 3.49Å; I275-F279 PolarHBondContact O-N 2.86Å
276V76.9Confident81.7Confident18 Ų1885.7 Ų85.711%0.10947%0.468CS..Hα-helixtrans-67.3-28.8-178.1166.60000112.7L272 N273 G280 M281 L282 V285L272-V276 WeakPolarHBondContact O-CB 3.33Å; L272-V276 WeakPolarHBondContact O-CG2 3.38Å; L272-V276 PolarHBondContact O-N 2.87Å; N273-V276 PolarHBondContact O-N 2.59Å; V276-G280 CarbonylContact O-C 3.57Å; V276-G280 PolarHBondContact O-N 3.15Å; V276-M281 HydrophobicContact CG1-CB 4.12Å; V276-M281 PolarHBondContact O-N 2.9Å; V276-L282 HydrophobicContact CG1-CB 4Å; V276-L282 HydrophobicContact CG1-CD1 3.82Å; V276-L282 PolarHBondContact O-N 3.48Å; V276-V285 HydrophobicContact CG1-CB 4.13Å; V276-V285 HydrophobicContact CG1-CG2 3.8Å; V276-V285 HydrophobicContact CG2-CG2 4.06Å
277Q77.8Confident82.5Confident102 Ų10287.5 Ų87.548%0.47747%0.466SS..Hα-helixtrans-72.1-46.2169.5-74.5-176.52100111.5N273 N274 I275 F279 G280 L282N273-Q277 PolarHBondContact ND2-NE2 2.92Å; N273-Q277 WeakPolarHBondContact O-CB 3.2Å; N273-Q277 VanDerWaalsContact O-CG 3.28Å; N273-Q277 WeakPolarHBondContact O-CG 3.4Å; N273-Q277 PolarHBondContact O-N 3.23Å; N273-Q277 PolarHBondContact OD1-NE2 3.21Å; N274-Q277 PolarHBondContact O-N 3.42Å; I275-Q277 VanDerWaalsContact C-N 3.31Å; I275-Q277 PolarHBondContact O-N 3.4Å; Q277-F279 VanDerWaalsContact C-N 3.27Å; Q277-F279 PolarHBondContact O-N 2.88Å; Q277-G280 PolarHBondContact O-N 3.38Å; Q277-L282 HydrophobicContact CG-CD1 4.12Å; Q277-L282 HydrophobicContact CG-CD2 4.22Å
278N75.6Confident83.1Confident140 Ų14085.8 Ų85.875%0.74946%0.46SS*.Hα-helixtrans-60.8-34.2177.9-70.5-17.9000112.9N274 I275N274-N278 WeakPolarHBondContact O-CB 3.4Å; N274-N278 PolarHBondContact O-N 3.48Å; N274-N278 PolarHBondContact O-ND2 2.98Å; I275-N278 PolarHBondContact O-N 3.24Å
279F79.1Confident83.6Confident154 Ų15487.8 Ų87.868%0.67547%0.47SS*.THydrogen-bonded Turntrans-902.7174.3-71.9-68.3000114.4I275 Q277 M281I275-F279 HydrophobicContact CG2-CD2 3.79Å; I275-F279 HydrophobicContact CG2-CE2 3.96Å; I275-F279 VanDerWaalsContact O-CD2 3.26Å; I275-F279 WeakPolarHBondContact O-CD2 3.49Å; I275-F279 PolarHBondContact O-N 2.86Å; Q277-F279 VanDerWaalsContact C-N 3.27Å; Q277-F279 PolarHBondContact O-N 2.88Å; F279-M281 HydrophobicContact CB-CG 4.08Å; F279-M281 HydrophobicContact CB-SD 3.93Å; F279-M281 PolarHBondContact O-N 3.47Å
280G82.1Confident84.1Confident61 Ų6188.6 Ų88.663%0.62948%0.476SS*.THydrogen-bonded Turntrans65.36-17900000115.4V276 Q277 L282V276-G280 CarbonylContact O-C 3.57Å; V276-G280 PolarHBondContact O-N 3.15Å; Q277-G280 PolarHBondContact O-N 3.38Å; G280-L282 PolarHBondContact O-N 2.87Å
281M85.6Confident84.7Confident88 Ų8888.7 Ų88.743%0.43348%0.48SS..THydrogen-bonded Turntrans-75.3-0.5-174.5-70.8171.159.600113.9V276 F279 D283 L284 V285V276-M281 HydrophobicContact CG1-CB 4.12Å; V276-M281 PolarHBondContact O-N 2.9Å; F279-M281 HydrophobicContact CB-CG 4.08Å; F279-M281 HydrophobicContact CB-SD 3.93Å; F279-M281 PolarHBondContact O-N 3.47Å; M281-D283 VanDerWaalsContact C-N 3.3Å; M281-D283 PolarHBondContact O-N 2.94Å; M281-L284 WeakPolarHBondContact O-CB 3.36Å; M281-L284 PolarHBondContact O-N 3.07Å; M281-V285 PolarHBondContact O-N 2.8Å
282L82.9Confident85.2Confident45 Ų4588.7 Ų88.724%0.23648%0.477CS..Hα-helixtrans-54.3-41.3-170.5-16674.1000113.6V276 Q277 G280 V285 K286V276-L282 HydrophobicContact CG1-CB 4Å; V276-L282 HydrophobicContact CG1-CD1 3.82Å; V276-L282 PolarHBondContact O-N 3.48Å; Q277-L282 HydrophobicContact CG-CD1 4.12Å; Q277-L282 HydrophobicContact CG-CD2 4.22Å; G280-L282 PolarHBondContact O-N 2.87Å; L282-V285 PolarHBondContact O-N 3.4Å; L282-K286 WeakPolarHBondContact O-CB 3.24Å; L282-K286 VanDerWaalsContact O-CG 3.24Å; L282-K286 WeakPolarHBondContact O-CG 3.47Å; L282-K286 PolarHBondContact O-N 2.86Å
283D83.5Confident85.8Confident106 Ų10690.1 Ų90.157%0.56748%0.48SS*.Hα-helixtrans-78.9-24.9-178.8-62.8-35.4000113.1M281 K286 K287M281-D283 VanDerWaalsContact C-N 3.3Å; M281-D283 PolarHBondContact O-N 2.94Å; D283-K286 WeakPolarHBondContact OD1-CD 3.41Å; D283-K286 IonicContact OD1-NZ 2.67Å; D283-K286 PolarHBondContact OD1-NZ 3.5Å; D283-K287 VanDerWaalsContact O-CB 3.23Å; D283-K287 WeakPolarHBondContact O-CB 3.43Å; D283-K287 PolarHBondContact O-N 3.08Å
284L87.3Confident86.5Confident105 Ų10589.9 Ų89.955%0.5548%0.483SS..Hα-helixtrans-69-46.2168.1-179.761.3000110.7M281 K287 V288M281-L284 WeakPolarHBondContact O-CB 3.36Å; M281-L284 PolarHBondContact O-N 3.07Å; L284-K287 WeakPolarHBondContact O-CB 3.48Å; L284-K287 PolarHBondContact O-N 2.89Å; L284-V288 HydrophobicContact CD1-CG2 4.44Å; L284-V288 WeakPolarHBondContact O-CG2 3.39Å; L284-V288 PolarHBondContact O-N 3.46Å
285V86.8Confident87.1Confident49 Ų4990.6 Ų90.630%0.29748%0.484SS..Hα-helixtrans-63.9-44.8177.4175.10000111V276 M281 L282 K287 V288 L289V276-V285 HydrophobicContact CG1-CB 4.13Å; V276-V285 HydrophobicContact CG1-CG2 3.8Å; V276-V285 HydrophobicContact CG2-CG2 4.06Å; M281-V285 PolarHBondContact O-N 2.8Å; L282-V285 PolarHBondContact O-N 3.4Å; V285-K287 VanDerWaalsContact C-N 3.32Å; V285-K287 PolarHBondContact O-N 3.04Å; V285-V288 PolarHBondContact O-N 2.97Å; V285-L289 HydrophobicContact CG1-CD1 3.83Å; V285-L289 HydrophobicContact CG1-CG 4.3Å; V285-L289 WeakPolarHBondContact O-CB 3.48Å; V285-L289 WeakPolarHBondContact O-CG 3.45Å; V285-L289 PolarHBondContact O-N 3.24Å
286K87.6Confident87.6Confident109 Ų10992.6 Ų92.647%0.47449%0.493SS..Hα-helixtrans-55.6-44.7171-74.8170.5-167.9154.50111.8L282 D283 L289 A290L282-K286 WeakPolarHBondContact O-CB 3.24Å; L282-K286 VanDerWaalsContact O-CG 3.24Å; L282-K286 WeakPolarHBondContact O-CG 3.47Å; L282-K286 PolarHBondContact O-N 2.86Å; D283-K286 WeakPolarHBondContact OD1-CD 3.41Å; D283-K286 IonicContact OD1-NZ 2.67Å; D283-K286 PolarHBondContact OD1-NZ 3.5Å; K286-L289 PolarHBondContact O-N 3.36Å; K286-A290 WeakPolarHBondContact O-CB 3.23Å; K286-A290 PolarHBondContact O-N 3.43Å
287K92.7Very high88.4Confident156 Ų15694.5 Ų94.568%0.67850%0.502SS*.Hα-helixtrans-64.8-43.1179.9-176.3179.2179-177.20112D283 L284 V285 S291D283-K287 VanDerWaalsContact O-CB 3.23Å; D283-K287 WeakPolarHBondContact O-CB 3.43Å; D283-K287 PolarHBondContact O-N 3.08Å; L284-K287 WeakPolarHBondContact O-CB 3.48Å; L284-K287 PolarHBondContact O-N 2.89Å; V285-K287 VanDerWaalsContact C-N 3.32Å; V285-K287 PolarHBondContact O-N 3.04Å; K287-S291 VanDerWaalsContact O-CB 3.29Å; K287-S291 WeakPolarHBondContact O-CB 3.16Å; K287-S291 PolarHBondContact O-N 3.31Å
288V92.1Very high89.3Confident85 Ų8597.9 Ų97.952%0.51551%0.511SS..Hα-helixtrans-64.9-47.9175.8172.20000110.9L284 V285 A290 S291 H292L284-V288 HydrophobicContact CD1-CG2 4.44Å; L284-V288 WeakPolarHBondContact O-CG2 3.39Å; L284-V288 PolarHBondContact O-N 3.46Å; V285-V288 PolarHBondContact O-N 2.97Å; V288-A290 PolarHBondContact O-N 2.88Å; V288-S291 PolarHBondContact O-N 3.26Å; V288-H292 WeakPolarHBondContact O-CB 3.4Å; V288-H292 PolarHBondContact O-N 3.28Å
289L90.6Very high90.2Very high110 Ų11096.5 Ų96.558%0.57650%0.496SS*.Hα-helixtrans-63.5-39.8177.7-70.7174000112.5V285 K286 K293V285-L289 HydrophobicContact CG1-CD1 3.83Å; V285-L289 HydrophobicContact CG1-CG 4.3Å; V285-L289 WeakPolarHBondContact O-CB 3.48Å; V285-L289 WeakPolarHBondContact O-CG 3.45Å; V285-L289 PolarHBondContact O-N 3.24Å; K286-L289 PolarHBondContact O-N 3.36Å; L289-K293 WeakPolarHBondContact O-CB 3.49Å; L289-K293 PolarHBondContact O-N 3.03Å
290A93.1Very high90.9Very high62 Ų6298.2 Ų98.251%0.51250%0.498SS..Hα-helixtrans-66.7-38.2174.800000112.2K286 V288 S294K286-A290 WeakPolarHBondContact O-CB 3.23Å; K286-A290 PolarHBondContact O-N 3.43Å; V288-A290 PolarHBondContact O-N 2.88Å; A290-S294 WeakPolarHBondContact O-CB 3.45Å; A290-S294 PolarHBondContact O-N 3.16Å
291S95.3Very high91.5Very high76 Ų76100.2 Ų100.253%0.53149%0.491SS..Hα-helixtrans-65.9-49.1174.6-168.70000111.5K287 V288 K293 S294 Q295K287-S291 VanDerWaalsContact O-CB 3.29Å; K287-S291 WeakPolarHBondContact O-CB 3.16Å; K287-S291 PolarHBondContact O-N 3.31Å; V288-S291 PolarHBondContact O-N 3.26Å; S291-K293 PolarHBondContact O-N 3.46Å; S291-S294 PolarHBondContact O-N 2.9Å; S291-Q295 WeakPolarHBondContact O-CB 3.26Å; S291-Q295 PolarHBondContact O-N 3.02Å
292H94.9Very high92Very high104 Ų104102 Ų10248%0.48150%0.498SS..Hα-helixtrans-62.2-42.2177.4-174.7-103.6000111.5V288 Q295 M296V288-H292 WeakPolarHBondContact O-CB 3.4Å; V288-H292 PolarHBondContact O-N 3.28Å; H292-Q295 WeakPolarHBondContact O-CB 3.44Å; H292-Q295 PolarHBondContact O-N 3.33Å; H292-M296 PolarHBondContact CE1-SD 3.05Å; H292-M296 WeakPolarHBondContact O-CG 3.23Å; H292-M296 PolarHBondContact O-N 3.35Å
293K93.3Very high92.6Very high119 Ų119107.8 Ų107.852%0.51752%0.518SS..Hα-helixtrans-60.3-47.2172.5175.1159174.646.40111.8L289 S291 Q295 M296 D297L289-K293 WeakPolarHBondContact O-CB 3.49Å; L289-K293 PolarHBondContact O-N 3.03Å; S291-K293 PolarHBondContact O-N 3.46Å; K293-Q295 VanDerWaalsContact C-N 3.27Å; K293-Q295 PolarHBondContact O-N 3.02Å; K293-M296 PolarHBondContact O-N 3.23Å; K293-D297 WeakPolarHBondContact CE-OD2 3.5Å; K293-D297 VanDerWaalsContact CG-OD2 3.27Å; K293-D297 WeakPolarHBondContact CG-OD2 3.27Å; K293-D297 VanDerWaalsContact NZ-CG 3.28Å; K293-D297 IonicContact NZ-OD1 3.04Å; K293-D297 PolarHBondContact NZ-OD1 3.22Å; K293-D297 IonicContact NZ-OD2 2.69Å; K293-D297 PolarHBondContact NZ-OD2 2.7Å; K293-D297 WeakPolarHBondContact O-CB 3.36Å; K293-D297 VanDerWaalsContact O-CG 3.28Å; K293-D297 PolarHBondContact O-N 2.9Å
294S95.3Very high93.2Very high52 Ų52106.3 Ų106.336%0.36452%0.516SS..Hα-helixtrans-60.7-37.1176.7-170.40000112.1A290 S291 R298A290-S294 WeakPolarHBondContact O-CB 3.45Å; A290-S294 PolarHBondContact O-N 3.16Å; S291-S294 PolarHBondContact O-N 2.9Å; S294-R298 WeakPolarHBondContact O-CB 3.4Å; S294-R298 WeakPolarHBondContact O-CG 3.45Å; S294-R298 PolarHBondContact O-N 3.4Å
295Q95.8Very high93.7Very high89 Ų89109.3 Ų109.342%0.41652%0.52SS..Hα-helixtrans-66.8-46.4174.8-178.4175.3-0.400112S291 H292 K293 R298 Y299S291-Q295 WeakPolarHBondContact O-CB 3.26Å; S291-Q295 PolarHBondContact O-N 3.02Å; H292-Q295 WeakPolarHBondContact O-CB 3.44Å; H292-Q295 PolarHBondContact O-N 3.33Å; K293-Q295 VanDerWaalsContact C-N 3.27Å; K293-Q295 PolarHBondContact O-N 3.02Å; Q295-R298 WeakPolarHBondContact O-CB 3.38Å; Q295-R298 PolarHBondContact O-N 3.26Å; Q295-Y299 HydrophobicContact CG-CD2 4.08Å; Q295-Y299 HydrophobicContact CG-CE2 3.5Å; Q295-Y299 VanDerWaalsContact CG-CE2 3.5Å; Q295-Y299 PolarHBondContact NE2-OH 3.11Å; Q295-Y299 VanDerWaalsContact O-CD2 3.25Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.34Å; Q295-Y299 PolarHBondContact O-N 3.27Å
296M91.8Very high94.2Very high114 Ų114109.9 Ų109.956%0.56253%0.526SS*.Hα-helixtrans-61.9-43.5174.2-72.5-167.977.300112.6H292 K293 R298 Y299 R300H292-M296 PolarHBondContact CE1-SD 3.05Å; H292-M296 WeakPolarHBondContact O-CG 3.23Å; H292-M296 PolarHBondContact O-N 3.35Å; K293-M296 PolarHBondContact O-N 3.23Å; M296-R298 VanDerWaalsContact C-N 3.33Å; M296-R298 PolarHBondContact O-N 2.86Å; M296-Y299 PolarHBondContact O-N 2.91Å; M296-R300 WeakPolarHBondContact O-CB 3.4Å; M296-R300 PolarHBondContact O-N 2.86Å
297D94Very high94.5Very high58 Ų58110.2 Ų110.231%0.3153%0.532SS..Hα-helixtrans-63.7-38.9178-69.7-36000110.7K293 R300 E301K293-D297 WeakPolarHBondContact CE-OD2 3.5Å; K293-D297 VanDerWaalsContact CG-OD2 3.27Å; K293-D297 WeakPolarHBondContact CG-OD2 3.27Å; K293-D297 VanDerWaalsContact NZ-CG 3.28Å; K293-D297 IonicContact NZ-OD1 3.04Å; K293-D297 PolarHBondContact NZ-OD1 3.22Å; K293-D297 IonicContact NZ-OD2 2.69Å; K293-D297 PolarHBondContact NZ-OD2 2.7Å; K293-D297 WeakPolarHBondContact O-CB 3.36Å; K293-D297 VanDerWaalsContact O-CG 3.28Å; K293-D297 PolarHBondContact O-N 2.9Å; D297-R300 PolarHBondContact O-N 3.34Å; D297-E301 PolarHBondContact O-N 3.45Å
298R95.6Very high94.7Very high174 Ų174105.9 Ų105.966%0.65752%0.519SS*.Hα-helixtrans-61.8-46.8172.2-75.6170.5-169.5-161.13.1112.8S294 Q295 M296 R300 E301 Q302S294-R298 WeakPolarHBondContact O-CB 3.4Å; S294-R298 WeakPolarHBondContact O-CG 3.45Å; S294-R298 PolarHBondContact O-N 3.4Å; Q295-R298 WeakPolarHBondContact O-CB 3.38Å; Q295-R298 PolarHBondContact O-N 3.26Å; M296-R298 VanDerWaalsContact C-N 3.33Å; M296-R298 PolarHBondContact O-N 2.86Å; R298-R300 VanDerWaalsContact C-N 3.32Å; R298-R300 PolarHBondContact O-N 3.37Å; R298-E301 PolarHBondContact O-N 3.06Å; R298-Q302 WeakPolarHBondContact O-CB 3.45Å; R298-Q302 PolarHBondContact O-N 3.49Å
299Y94.3Very high95Very high111 Ų111103.9 Ų103.944%0.43551%0.511SS..Hα-helixtrans-61.7-42.7175.9-69.2-51.1000111Q295 M296 E301 Q302 Y303Q295-Y299 HydrophobicContact CG-CD2 4.08Å; Q295-Y299 HydrophobicContact CG-CE2 3.5Å; Q295-Y299 VanDerWaalsContact CG-CE2 3.5Å; Q295-Y299 PolarHBondContact NE2-OH 3.11Å; Q295-Y299 VanDerWaalsContact O-CD2 3.25Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.34Å; Q295-Y299 PolarHBondContact O-N 3.27Å; M296-Y299 PolarHBondContact O-N 2.91Å; Y299-E301 VanDerWaalsContact C-N 3.34Å; Y299-E301 PolarHBondContact O-N 3.02Å; Y299-Q302 WeakPolarHBondContact O-CB 3.5Å; Y299-Q302 PolarHBondContact O-N 3.06Å; Y299-Q302 VanDerWaalsContact O-N 3.1Å; Y299-Y303 WeakPolarHBondContact O-CD2 3.46Å; Y299-Y303 PolarHBondContact O-N 3.43Å
300R94.7Very high95.2Very high190 Ų190103.1 Ų103.172%0.71751%0.507SS*.Hα-helixtrans-59.9-41.4176.3-173.1177.3-179.9-123.3-2.3112.3M296 D297 R298 S304M296-R300 WeakPolarHBondContact O-CB 3.4Å; M296-R300 PolarHBondContact O-N 2.86Å; D297-R300 PolarHBondContact O-N 3.34Å; R298-R300 VanDerWaalsContact C-N 3.32Å; R298-R300 PolarHBondContact O-N 3.37Å; R300-S304 WeakPolarHBondContact O-CB 3.24Å; R300-S304 PolarHBondContact O-N 3.43Å
301E95.1Very high95.3Very high102 Ų102105.8 Ų105.848%0.47751%0.509SS..Hα-helixtrans-64.6-42.3171.1-79.9-169.3-136.900112.6D297 R298 Y299 S304 R305D297-E301 PolarHBondContact O-N 3.45Å; R298-E301 PolarHBondContact O-N 3.06Å; Y299-E301 VanDerWaalsContact C-N 3.34Å; Y299-E301 PolarHBondContact O-N 3.02Å; E301-S304 WeakPolarHBondContact O-CB 3.3Å; E301-S304 PolarHBondContact O-N 3.1Å; E301-R305 VanDerWaalsContact O-CG 3.24Å; E301-R305 WeakPolarHBondContact O-CG 3.42Å; E301-R305 PolarHBondContact O-N 3.37Å; E301-R305 IonicContact OE2-CZ 2.74Å; E301-R305 IonicContact OE2-NE 3.2Å; E301-R305 IonicContact OE2-NH2 2.94Å; E301-R305 PolarHBondContact OE2-NH2 3.41Å
302Q96.3Very high95.3Very high125 Ų125108.3 Ų108.358%0.58451%0.513SS*.Hα-helixtrans-61.7-45.1178.7-176.3178.1-7.400111.6R298 Y299 R305 S306R298-Q302 WeakPolarHBondContact O-CB 3.45Å; R298-Q302 PolarHBondContact O-N 3.49Å; Y299-Q302 WeakPolarHBondContact O-CB 3.5Å; Y299-Q302 PolarHBondContact O-N 3.06Å; Y299-Q302 VanDerWaalsContact O-N 3.1Å; Q302-R305 PolarHBondContact O-N 3.46Å; Q302-S306 WeakPolarHBondContact O-CB 3.34Å; Q302-S306 PolarHBondContact O-N 3.33Å
303Y95.6Very high95.4Very high168 Ų168108.8 Ų108.866%0.65952%0.515SS*.Hα-helixtrans-62.1-43.9173.6-67.4-57.5000111.8Y299 R305 S306 L307Y299-Y303 WeakPolarHBondContact O-CD2 3.46Å; Y299-Y303 PolarHBondContact O-N 3.43Å; Y303-R305 PolarHBondContact O-N 3.21Å; Y303-S306 PolarHBondContact O-N 3.07Å; Y303-L307 WeakPolarHBondContact O-CB 3.42Å; Y303-L307 PolarHBondContact O-N 2.75Å
304S95.8Very high95.4Very high74 Ų74106 Ų10652%0.51751%0.509SS..Hα-helixtrans-59-46.5176.9-173.80000112.3R300 E301 S306 L307 V308R300-S304 WeakPolarHBondContact O-CB 3.24Å; R300-S304 PolarHBondContact O-N 3.43Å; E301-S304 WeakPolarHBondContact O-CB 3.3Å; E301-S304 PolarHBondContact O-N 3.1Å; S304-S306 PolarHBondContact O-N 3.37Å; S304-L307 PolarHBondContact O-N 2.74Å; S304-V308 WeakPolarHBondContact O-CG2 3.39Å; S304-V308 PolarHBondContact O-N 2.86Å; S304-V308 VanDerWaalsContact O-N 3.15Å
305R97.3Very high95.3Very high169 Ų169107.6 Ų107.664%0.63851%0.514SS*.Hα-helixtrans-63.4-40.1176.1-66.6168.8-164.9-148.38.4112E301 Q302 Y303 A309E301-R305 VanDerWaalsContact O-CG 3.24Å; E301-R305 WeakPolarHBondContact O-CG 3.42Å; E301-R305 PolarHBondContact O-N 3.37Å; E301-R305 IonicContact OE2-CZ 2.74Å; E301-R305 IonicContact OE2-NE 3.2Å; E301-R305 IonicContact OE2-NH2 2.94Å; E301-R305 PolarHBondContact OE2-NH2 3.41Å; Q302-R305 PolarHBondContact O-N 3.46Å; Y303-R305 PolarHBondContact O-N 3.21Å; R305-A309 WeakPolarHBondContact O-CB 3.46Å; R305-A309 PolarHBondContact O-N 2.81Å; R305-A309 VanDerWaalsContact O-N 3.07Å
306S96.8Very high95.3Very high61 Ų61106.2 Ų106.243%0.42751%0.508SS..Hα-helixtrans-65.5-42.6177.3-165.40000112.1Q302 Y303 S304 A309 L310Q302-S306 WeakPolarHBondContact O-CB 3.34Å; Q302-S306 PolarHBondContact O-N 3.33Å; Y303-S306 PolarHBondContact O-N 3.07Å; S304-S306 PolarHBondContact O-N 3.37Å; S306-A309 PolarHBondContact O-N 3.24Å; S306-L310 WeakPolarHBondContact O-CG 3.18Å; S306-L310 PolarHBondContact O-N 2.98Å
307L95.6Very high95.3Very high115 Ų115106.7 Ų106.760%0.60251%0.508SS*.Hα-helixtrans-62.2-47.3179-157.7168000110.9Y303 S304 A309 L310 E311Y303-L307 WeakPolarHBondContact O-CB 3.42Å; Y303-L307 PolarHBondContact O-N 2.75Å; S304-L307 PolarHBondContact O-N 2.74Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 2.94Å; L307-L310 PolarHBondContact O-N 3.2Å; L307-E311 WeakPolarHBondContact O-CB 3.4Å; L307-E311 PolarHBondContact O-N 2.99Å
308V96.9Very high95.3Very high65 Ų65109 Ų10939%0.39451%0.512SS..Hα-helixtrans-62-37.4175.1173.60000112S304 Q312S304-V308 WeakPolarHBondContact O-CG2 3.39Å; S304-V308 PolarHBondContact O-N 2.86Å; S304-V308 VanDerWaalsContact O-N 3.15Å; V308-Q312 WeakPolarHBondContact O-CB 3.31Å; V308-Q312 VanDerWaalsContact O-CG 3.27Å; V308-Q312 WeakPolarHBondContact O-CG 3.46Å; V308-Q312 PolarHBondContact O-N 3.02Å
309A96.9Very high95.2Very high43 Ų43106.2 Ų106.236%0.35551%0.505SS..Hα-helixtrans-67.5-38.3176.200000112.6R305 S306 L307 Q313R305-A309 WeakPolarHBondContact O-CB 3.46Å; R305-A309 PolarHBondContact O-N 2.81Å; R305-A309 VanDerWaalsContact O-N 3.07Å; S306-A309 PolarHBondContact O-N 3.24Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 2.94Å; A309-Q313 WeakPolarHBondContact O-CG 3.24Å; A309-Q313 PolarHBondContact O-N 3.17Å
310L95.9Very high95.1Very high95 Ų95106.8 Ų106.850%0.49751%0.507SS..Hα-helixtrans-68.5-41.5174.6-71.8168000111.8S306 L307 Q312 Q313 C314S306-L310 WeakPolarHBondContact O-CG 3.18Å; S306-L310 PolarHBondContact O-N 2.98Å; L307-L310 PolarHBondContact O-N 3.2Å; L310-Q312 PolarHBondContact O-N 2.61Å; L310-Q313 WeakPolarHBondContact O-CB 3.47Å; L310-Q313 PolarHBondContact O-N 2.8Å; L310-Q313 VanDerWaalsContact O-N 3.16Å; L310-C314 PolarHBondContact O-N 3.44Å; L310-C314 PolarHBondContact O-SG 3.19Å; L310-C314 VanDerWaalsContact O-SG 3.4Å
311E93.8Very high95Very high118 Ų118100.3 Ų100.355%0.55149%0.494SS*.Hα-helixtrans-58.4-46.1174.5-175172.9-14700111.4L307 Q313 C314 D315L307-E311 WeakPolarHBondContact O-CB 3.4Å; L307-E311 PolarHBondContact O-N 2.99Å; E311-Q313 VanDerWaalsContact C-N 3.35Å; E311-Q313 PolarHBondContact O-N 3.19Å; E311-C314 PolarHBondContact O-N 3.16Å; E311-D315 PolarHBondContact O-N 2.89Å
312Q96.8Very high94.9Very high129 Ų129102 Ų10260%0.60350%0.5SS*.Hα-helixtrans-61.5-38.2174-72.8173.812.200113V308 L310 E316V308-Q312 WeakPolarHBondContact O-CB 3.31Å; V308-Q312 VanDerWaalsContact O-CG 3.27Å; V308-Q312 WeakPolarHBondContact O-CG 3.46Å; V308-Q312 PolarHBondContact O-N 3.02Å; L310-Q312 PolarHBondContact O-N 2.61Å; Q312-E316 WeakPolarHBondContact O-CB 3.36Å; Q312-E316 PolarHBondContact O-N 3.02Å
313Q95.4Very high94.7Very high114 Ų114100.2 Ų100.253%0.53349%0.491SS..Hα-helixtrans-64.8-47.7173.3-74.7179.67.100111.2A309 L310 E311 D315 E316 H317A309-Q313 WeakPolarHBondContact O-CG 3.24Å; A309-Q313 PolarHBondContact O-N 3.17Å; L310-Q313 WeakPolarHBondContact O-CB 3.47Å; L310-Q313 PolarHBondContact O-N 2.8Å; L310-Q313 VanDerWaalsContact O-N 3.16Å; E311-Q313 VanDerWaalsContact C-N 3.35Å; E311-Q313 PolarHBondContact O-N 3.19Å; Q313-D315 VanDerWaalsContact C-N 3.31Å; Q313-D315 PolarHBondContact O-N 2.98Å; Q313-E316 PolarHBondContact O-N 3.43Å; Q313-H317 WeakPolarHBondContact O-CB 3.29Å; Q313-H317 PolarHBondContact O-CD2 3.44Å; Q313-H317 VanDerWaalsContact O-CD2 3.23Å; Q313-H317 PolarHBondContact O-N 3.04Å
314C93.8Very high94.5Very high59 Ų5997.9 Ų97.940%0.39949%0.489SS..Hα-helixtrans-57.3-42.3177.3-70.90000112.4L310 E311 R318L310-C314 PolarHBondContact O-N 3.44Å; L310-C314 PolarHBondContact O-SG 3.19Å; L310-C314 VanDerWaalsContact O-SG 3.4Å; E311-C314 PolarHBondContact O-N 3.16Å; C314-R318 VanDerWaalsContact O-CB 3.23Å; C314-R318 WeakPolarHBondContact O-CB 3.33Å; C314-R318 PolarHBondContact O-N 3Å
315D94.3Very high94.3Very high87 Ų8799.6 Ų99.647%0.46549%0.487SS..Hα-helixtrans-71.4-36.9178-96.5-15.1000113.6E311 Q313 R318 K319E311-D315 PolarHBondContact O-N 2.89Å; Q313-D315 VanDerWaalsContact C-N 3.31Å; Q313-D315 PolarHBondContact O-N 2.98Å; D315-R318 PolarHBondContact O-N 2.84Å; D315-R318 IonicContact OD1-CZ 3.82Å; D315-R318 IonicContact OD1-NH1 3.9Å; D315-R318 PolarHBondContact OD1-NH1 3.47Å; D315-K319 VanDerWaalsContact O-CB 3.24Å; D315-K319 WeakPolarHBondContact O-CB 3.38Å; D315-K319 PolarHBondContact O-N 3.32Å
316E94.8Very high94Very high60 Ų6094.5 Ų94.528%0.2848%0.478SS..Hα-helixtrans-70.3-34.7174.8178.365-170.700111.7Q312 Q313 K319 R320Q312-E316 WeakPolarHBondContact O-CB 3.36Å; Q312-E316 PolarHBondContact O-N 3.02Å; Q313-E316 PolarHBondContact O-N 3.43Å; E316-K319 PolarHBondContact O-N 3.02Å; E316-K319 IonicContact OE1-NZ 3.79Å; E316-K319 WeakPolarHBondContact OE2-CD 3.43Å; E316-K319 IonicContact OE2-NZ 2.68Å; E316-K319 PolarHBondContact OE2-NZ 3.44Å; E316-R320 VanDerWaalsContact CG-CZ 3.43Å; E316-R320 VanDerWaalsContact O-CG 3.3Å; E316-R320 WeakPolarHBondContact O-CG 3.32Å; E316-R320 PolarHBondContact O-N 2.88Å; E316-R320 IonicContact OE1-CZ 2.61Å; E316-R320 IonicContact OE1-NE 2.7Å; E316-R320 PolarHBondContact OE1-NE 2.86Å; E316-R320 IonicContact OE1-NH2 3.54Å; E316-R320 PolarHBondContact OE1-NH2 3.38Å
317H92.2Very high93.9Very high124 Ų12497 Ų9757%0.57448%0.481SS*.Hα-helixtrans-63.2-47.6168.4-87.1-91.3000111.6Q313 K319 R320 A321Q313-H317 WeakPolarHBondContact O-CB 3.29Å; Q313-H317 PolarHBondContact O-CD2 3.44Å; Q313-H317 VanDerWaalsContact O-CD2 3.23Å; Q313-H317 PolarHBondContact O-N 3.04Å; H317-K319 VanDerWaalsContact C-N 3.29Å; H317-K319 PolarHBondContact O-N 3.23Å; H317-R320 PolarHBondContact O-N 3.11Å; H317-A321 PolarHBondContact O-N 2.7Å
318R93.2Very high93.6Very high105 Ų10594.3 Ų94.340%0.39647%0.472SS..Hα-helixtrans-59.9-36.4175.7179.6180-70.9129.50.2112.5C314 D315 K322C314-R318 VanDerWaalsContact O-CB 3.23Å; C314-R318 WeakPolarHBondContact O-CB 3.33Å; C314-R318 PolarHBondContact O-N 3Å; D315-R318 PolarHBondContact O-N 2.84Å; D315-R318 IonicContact OD1-CZ 3.82Å; D315-R318 IonicContact OD1-NH1 3.9Å; D315-R318 PolarHBondContact OD1-NH1 3.47Å; R318-K322 WeakPolarHBondContact O-CG 3.43Å; R318-K322 PolarHBondContact O-N 3.16Å; R318-K322 VanDerWaalsContact O-N 3.1Å
319K94.9Very high93.2Very high116 Ų11696.6 Ų96.650%0.50448%0.478SS..Hα-helixtrans-68.3-46174.8175.9177.1150.3-1430111.8D315 E316 H317 A321 K322 E323D315-K319 VanDerWaalsContact O-CB 3.24Å; D315-K319 WeakPolarHBondContact O-CB 3.38Å; D315-K319 PolarHBondContact O-N 3.32Å; E316-K319 PolarHBondContact O-N 3.02Å; E316-K319 IonicContact OE1-NZ 3.79Å; E316-K319 WeakPolarHBondContact OE2-CD 3.43Å; E316-K319 IonicContact OE2-NZ 2.68Å; E316-K319 PolarHBondContact OE2-NZ 3.44Å; H317-K319 VanDerWaalsContact C-N 3.29Å; H317-K319 PolarHBondContact O-N 3.23Å; K319-A321 VanDerWaalsContact C-N 3.34Å; K319-A321 PolarHBondContact O-N 3.34Å; K319-K322 PolarHBondContact O-N 3.27Å; K319-E323 PolarHBondContact O-N 3.29Å
320R92.1Very high92.8Very high123 Ų123100.6 Ų100.646%0.46449%0.489SS..Hα-helixtrans-62.7-39.4174.9-70.7169.3-167.4162.62.7112E316 H317 E323 L324E316-R320 VanDerWaalsContact CG-CZ 3.43Å; E316-R320 VanDerWaalsContact O-CG 3.3Å; E316-R320 WeakPolarHBondContact O-CG 3.32Å; E316-R320 PolarHBondContact O-N 2.88Å; E316-R320 IonicContact OE1-CZ 2.61Å; E316-R320 IonicContact OE1-NE 2.7Å; E316-R320 PolarHBondContact OE1-NE 2.86Å; E316-R320 IonicContact OE1-NH2 3.54Å; E316-R320 PolarHBondContact OE1-NH2 3.38Å; H317-R320 PolarHBondContact O-N 3.11Å; R320-E323 PolarHBondContact O-N 3.02Å; R320-L324 WeakPolarHBondContact O-CB 3.4Å; R320-L324 WeakPolarHBondContact O-CG 3.06Å; R320-L324 PolarHBondContact O-N 2.9Å
321A92Very high92.6Very high54 Ų54101.7 Ų101.745%0.44650%0.495SS..Hα-helixtrans-59.3-46.9172.900000111.6H317 K319 E323 L324 K325H317-A321 PolarHBondContact O-N 2.7Å; K319-A321 VanDerWaalsContact C-N 3.34Å; K319-A321 PolarHBondContact O-N 3.34Å; A321-E323 PolarHBondContact O-N 3.14Å; A321-L324 PolarHBondContact O-N 3.19Å; A321-K325 WeakPolarHBondContact O-CB 3.26Å; A321-K325 PolarHBondContact O-N 2.84Å
322K92.4Very high92.1Very high138 Ų138100 Ų10060%0.649%0.49SS*.Hα-helixtrans-62-39.7175.1-73.5171179.8-179.60113R318 K319 K325 S326R318-K322 WeakPolarHBondContact O-CG 3.43Å; R318-K322 PolarHBondContact O-N 3.16Å; R318-K322 VanDerWaalsContact O-N 3.1Å; K319-K322 PolarHBondContact O-N 3.27Å; K322-K325 PolarHBondContact O-N 3.4Å; K322-S326 PolarHBondContact O-N 2.9Å; K322-S326 PolarHBondContact O-OG 2.85Å
323E92.7Very high91.5Very high88 Ų8898.8 Ų98.841%0.41149%0.488SS..Hα-helixtrans-68.7-38.3177.3-165-170.9140.600112.5K319 R320 A321 S326 K327K319-E323 PolarHBondContact O-N 3.29Å; R320-E323 PolarHBondContact O-N 3.02Å; A321-E323 PolarHBondContact O-N 3.14Å; E323-S326 PolarHBondContact O-OG 3.36Å; E323-S326 VanDerWaalsContact O-OG 3.1Å; E323-K327 HydrophobicContact CG-CD 4.28Å; E323-K327 VanDerWaalsContact O-CB 3.3Å; E323-K327 WeakPolarHBondContact O-CB 3.28Å; E323-K327 VanDerWaalsContact O-CG 3.25Å; E323-K327 WeakPolarHBondContact O-CG 3.44Å; E323-K327 PolarHBondContact O-N 2.87Å; E323-K327 WeakPolarHBondContact OE1-CE 3.34Å; E323-K327 IonicContact OE1-NZ 2.99Å; E323-K327 PolarHBondContact OE1-NZ 2.9Å
324L92.1Very high91.1Very high118 Ų11896 Ų9662%0.61848%0.479SS*.Hα-helixtrans-67.2-39.4171.9-71.8168.3000111.4R320 A321 K327 S328R320-L324 WeakPolarHBondContact O-CB 3.4Å; R320-L324 WeakPolarHBondContact O-CG 3.06Å; R320-L324 PolarHBondContact O-N 2.9Å; A321-L324 PolarHBondContact O-N 3.19Å; L324-K327 PolarHBondContact O-N 3.47Å; L324-S328 WeakPolarHBondContact O-CB 3.44Å; L324-S328 PolarHBondContact O-N 3.44Å
325K91.7Very high90.3Very high110 Ų11098 Ų9848%0.47849%0.485SS..Hα-helixtrans-62.4-44.7175.8-154.2166-167170.70110.8E215 A321 K322 S328 Q329E215-K325 IonicContact OE1-NZ 3.26Å; E215-K325 PolarHBondContact OE1-NZ 2.93Å; A321-K325 WeakPolarHBondContact O-CB 3.26Å; A321-K325 PolarHBondContact O-N 2.84Å; K322-K325 PolarHBondContact O-N 3.4Å; K325-S328 PolarHBondContact O-N 3.1Å; K325-Q329 WeakPolarHBondContact O-CB 3.25Å; K325-Q329 VanDerWaalsContact O-CG 3.26Å; K325-Q329 WeakPolarHBondContact O-CG 3.3Å; K325-Q329 PolarHBondContact O-N 3.36Å
326S90.6Very high89.1Confident63 Ų6399.9 Ų99.944%0.44149%0.492SS..Hα-helixtrans-71.9-38.2177.167.40000113.5K322 E323 Q329 H330K322-S326 PolarHBondContact O-N 2.9Å; K322-S326 PolarHBondContact O-OG 2.85Å; E323-S326 PolarHBondContact O-OG 3.36Å; E323-S326 VanDerWaalsContact O-OG 3.1Å; S326-Q329 PolarHBondContact O-N 3.37Å; S326-H330 WeakPolarHBondContact O-CB 3.44Å; S326-H330 PolarHBondContact O-N 3.22Å
327K94.4Very high87.7Confident112 Ų112102.5 Ų102.549%0.48751%0.513SS..Hα-helixtrans-61.9-44171.4-77.8170170.51730111.8E323 L324 H330 L331E323-K327 HydrophobicContact CG-CD 4.28Å; E323-K327 VanDerWaalsContact O-CB 3.3Å; E323-K327 WeakPolarHBondContact O-CB 3.28Å; E323-K327 VanDerWaalsContact O-CG 3.25Å; E323-K327 WeakPolarHBondContact O-CG 3.44Å; E323-K327 PolarHBondContact O-N 2.87Å; E323-K327 WeakPolarHBondContact OE1-CE 3.34Å; E323-K327 IonicContact OE1-NZ 2.99Å; E323-K327 PolarHBondContact OE1-NZ 2.9Å; L324-K327 PolarHBondContact O-N 3.47Å; K327-H330 PolarHBondContact O-N 3.3Å; K327-L331 WeakPolarHBondContact O-CG 3.19Å; K327-L331 PolarHBondContact O-N 3.46Å
328S88.6Confident86.1Confident60 Ų60102.8 Ų102.842%0.4252%0.517SS..Hα-helixtrans-63.3-44.4175.2-178.10000111.7L324 K325 H330 L331 N332L324-S328 WeakPolarHBondContact O-CB 3.44Å; L324-S328 PolarHBondContact O-N 3.44Å; K325-S328 PolarHBondContact O-N 3.1Å; S328-H330 VanDerWaalsContact C-N 3.35Å; S328-H330 PolarHBondContact O-N 2.88Å; S328-L331 PolarHBondContact O-N 3.39Å; S328-N332 WeakPolarHBondContact O-CB 3.41Å; S328-N332 PolarHBondContact O-N 3.47Å; S328-N332 PolarHBondContact O-ND2 3.1Å; S328-N332 PolarHBondContact OG-ND2 3.4Å
329Q88.3Confident84.1Confident112 Ų112101.5 Ų101.552%0.52352%0.521SS..Hα-helixtrans-60.8-41.8173.5-76.8171.8-15.100112K325 S326 N332 N333K325-Q329 WeakPolarHBondContact O-CB 3.25Å; K325-Q329 VanDerWaalsContact O-CG 3.26Å; K325-Q329 WeakPolarHBondContact O-CG 3.3Å; K325-Q329 PolarHBondContact O-N 3.36Å; S326-Q329 PolarHBondContact O-N 3.37Å; Q329-N332 PolarHBondContact O-N 2.91Å; Q329-N333 WeakPolarHBondContact O-CB 3.36Å; Q329-N333 PolarHBondContact O-N 2.87Å; Q329-N333 PolarHBondContact O-ND2 2.91Å
330H89.7Confident81.9Confident127 Ų127101.6 Ų101.659%0.58853%0.534SS*.Hα-helixtrans-62.7-46.6175.8-178.465.3000111.7S326 K327 S328 N332 N333 V334S326-H330 WeakPolarHBondContact O-CB 3.44Å; S326-H330 PolarHBondContact O-N 3.22Å; K327-H330 PolarHBondContact O-N 3.3Å; S328-H330 VanDerWaalsContact C-N 3.35Å; S328-H330 PolarHBondContact O-N 2.88Å; H330-N332 PolarHBondContact O-N 3.28Å; H330-N333 PolarHBondContact O-N 2.9Å; H330-V334 WeakPolarHBondContact O-CG2 3.3Å; H330-V334 PolarHBondContact O-N 3.06Å
331L90.6Very high79.6Confident119 Ų119102.4 Ų102.462%0.62355%0.552SS**Hα-helixtrans-61.5-40.1176.1-71.2170.5000112.6K327 S328 V334 L335K327-L331 WeakPolarHBondContact O-CG 3.19Å; K327-L331 PolarHBondContact O-N 3.46Å; S328-L331 PolarHBondContact O-N 3.39Å; L331-V334 PolarHBondContact O-N 2.99Å; L331-L335 WeakPolarHBondContact O-CB 3.49Å; L331-L335 PolarHBondContact O-N 3.16Å
332N84.6Confident77.3Confident81 Ų81104.4 Ų104.443%0.43357%0.569SS.*Hα-helixtrans-64.8-43.1174.3-83.3-82.2000112S328 Q329 H330 V334 L335 M336S328-N332 WeakPolarHBondContact O-CB 3.41Å; S328-N332 PolarHBondContact O-N 3.47Å; S328-N332 PolarHBondContact O-ND2 3.1Å; S328-N332 PolarHBondContact OG-ND2 3.4Å; Q329-N332 PolarHBondContact O-N 2.91Å; H330-N332 PolarHBondContact O-N 3.28Å; N332-V334 PolarHBondContact O-N 2.8Å; N332-L335 PolarHBondContact O-N 2.93Å; N332-M336 VanDerWaalsContact O-CG 3.3Å; N332-M336 WeakPolarHBondContact O-CG 3.46Å; N332-M336 PolarHBondContact O-N 3.48Å
333N84.1Confident75.4Confident105 Ų105104 Ų10456%0.56158%0.578SS**Hα-helixtrans-63.7-40.6175.5-79.3-71.8000111.9Q329 H330 M336 T337Q329-N333 WeakPolarHBondContact O-CB 3.36Å; Q329-N333 PolarHBondContact O-N 2.87Å; Q329-N333 PolarHBondContact O-ND2 2.91Å; H330-N333 PolarHBondContact O-N 2.9Å; N333-M336 PolarHBondContact O-N 3.5Å; N333-T337 WeakPolarHBondContact O-CB 3.21Å; N333-T337 PolarHBondContact O-N 2.83Å; N333-T337 PolarHBondContact O-OG1 2.61Å
334V85.4Confident73Confident56 Ų56105.2 Ų105.234%0.33959%0.593SS.*Hα-helixtrans-63.5-42.5174170.10000110.7H330 L331 N332 M336 T337 L338H330-V334 WeakPolarHBondContact O-CG2 3.3Å; H330-V334 PolarHBondContact O-N 3.06Å; L331-V334 PolarHBondContact O-N 2.99Å; N332-V334 PolarHBondContact O-N 2.8Å; V334-M336 PolarHBondContact O-N 3.21Å; V334-T337 WeakPolarHBondContact O-CB 3.49Å; V334-T337 PolarHBondContact O-N 3.5Å; V334-T337 VanDerWaalsContact O-N 3.12Å; V334-L338 HydrophobicContact CG1-CD1 3.81Å; V334-L338 HydrophobicContact CG1-CG 4.41Å; V334-L338 WeakPolarHBondContact O-CB 3.37Å; V334-L338 WeakPolarHBondContact O-CG 3.45Å; V334-L338 PolarHBondContact O-N 2.78Å
335L78.6Confident70.7Confident100 Ų100105.8 Ų105.852%0.52460%0.604SS.*Hα-helixtrans-61-44176.1-175.261.6000111.9L331 N332 T337 L338 T339L331-L335 WeakPolarHBondContact O-CB 3.49Å; L331-L335 PolarHBondContact O-N 3.16Å; N332-L335 PolarHBondContact O-N 2.93Å; L335-T337 VanDerWaalsContact C-N 3.26Å; L335-T337 PolarHBondContact O-N 3.32Å; L335-L338 CarbonylContact O-C 3.57Å; L335-L338 PolarHBondContact O-N 3Å; L335-L338 VanDerWaalsContact O-N 3.13Å; L335-T339 PolarHBondContact O-N 3.22Å
336M68.5Low68.5Low126 Ų126106.9 Ų106.962%0.62162%0.621SS**Hα-helixtrans-70.4-19.5175.3-63.7-63.4161.900113.6N332 N333 V334 T339N332-M336 VanDerWaalsContact O-CG 3.3Å; N332-M336 WeakPolarHBondContact O-CG 3.46Å; N332-M336 PolarHBondContact O-N 3.48Å; N333-M336 PolarHBondContact O-N 3.5Å; V334-M336 PolarHBondContact O-N 3.21Å; M336-T339 WeakPolarHBondContact CA-OG1 3.38Å; M336-T339 PolarHBondContact O-OG1 2.84Å
337T65.5Low66.4Low116 Ų116109.9 Ų109.971%0.71264%0.639SS**Hα-helixtrans-82.7-23.3171.3-52.50000111.6N333 V334 L335N333-T337 WeakPolarHBondContact O-CB 3.21Å; N333-T337 PolarHBondContact O-N 2.83Å; N333-T337 PolarHBondContact O-OG1 2.61Å; V334-T337 WeakPolarHBondContact O-CB 3.49Å; V334-T337 PolarHBondContact O-N 3.5Å; V334-T337 VanDerWaalsContact O-N 3.12Å; L335-T337 VanDerWaalsContact C-N 3.26Å; L335-T337 PolarHBondContact O-N 3.32Å
338L57.4Low64Low129 Ų129114.2 Ų114.268%0.67566%0.657SS**Hα-helixtrans-100.6-9.8-179.7-67.4175.9000114V334 L335 P340V334-L338 HydrophobicContact CG1-CD1 3.81Å; V334-L338 HydrophobicContact CG1-CG 4.41Å; V334-L338 WeakPolarHBondContact O-CB 3.37Å; V334-L338 WeakPolarHBondContact O-CG 3.45Å; V334-L338 PolarHBondContact O-N 2.78Å; L335-L338 CarbonylContact O-C 3.57Å; L335-L338 PolarHBondContact O-N 3Å; L335-L338 VanDerWaalsContact O-N 3.13Å; L338-P340 WeakPolarHBondContact O-CD 3.34Å
339T51.8Low61.7Low78 Ų78122.2 Ų122.248%0.47968%0.678SS.*SBendtrans-62116.1169.5370000109.9L335 M336L335-T339 PolarHBondContact O-N 3.22Å; M336-T339 WeakPolarHBondContact CA-OG1 3.38Å; M336-T339 PolarHBondContact O-OG1 2.84Å
340P49.9Very low59.6Low118 Ų118123 Ų12377%0.76669%0.693SS**PPolyproline II helixtrans-68.9145.3-175.328.2-34.7000111.3L338 A342L338-P340 WeakPolarHBondContact O-CD 3.34Å; P340-A342 PolarHBondContact O-N 3.47Å
341V43.1Very low57.5Low140 Ų140127 Ų12785%0.84870%0.703SS**PPolyproline II helixtrans-54121.9178.6177.10000110.4T343V341-T343 PolarHBondContact O-N 3.46Å
342A44Very low55.1Low96 Ų96129.5 Ų129.579%0.79372%0.716SS**PPolyproline II helixtrans-65.1122.9-17800000111.5P340P340-A342 PolarHBondContact O-N 3.47Å
343T51.6Low52.9Low129 Ų129130.8 Ų130.879%0.79173%0.727SS**PPolyproline II helixtrans-81.3148.6170.345.20000111V341V341-T343 PolarHBondContact O-N 3.46Å
344P42.1Very low50.6Low114 Ų114136.5 Ų136.574%0.7474%0.741SS**PPolyproline II helixtrans-72.8149.7-171.728.6-35.5000113
345P44Very low48.1Very low131 Ų131138.5 Ų138.585%0.85176%0.763SS**PPolyproline II helixtrans-78141.5-175.631.6-35.6000113
346T44.9Very low45.9Very low133 Ų133139.1 Ų139.182%0.81677%0.771SS**  trans-111.3150.2171.353.40000111.7
347P48.3Very low44.4Very low126 Ų126138.9 Ų138.982%0.81878%0.781SS**  trans-83.3158.6-169.631.5-35.6000115.5
348K43.9Very low42.9Very low202 Ų202136.7 Ų136.788%0.87878%0.782SS**  trans-52.3152.5168.7-58.1155.4-1731700110.3
349R40.6Very low42Very low229 Ų229136.2 Ų136.286%0.86479%0.786SS**  cis-161.5-174.415.1-129.8-177.2-174.2175.73.1106.9
350P44.2Very low41Very low129 Ų129137.3 Ų137.384%0.83880%0.804SS**  cis-138.5-158.337.641.1-18.6000115.3
351R45.6Very low40.1Very low210 Ų210137.3 Ų137.379%0.79280%0.801SS**  trans-119.1135.9-164168.1-163.8-174.1-170.15.7111.5
352L38.5Very low39.6Very low171 Ų171139 Ų13990%0.89580%0.802SS**  trans-134.1171.4158.4-89.9174.1000110.8
353T39.1Very low38.9Very low108 Ų108139.7 Ų139.766%0.66380%0.801SS**  trans-127.7128.2-149.847.60000117.1
354R34.8Very low37.9Very low226 Ų226139.1 Ų139.185%0.85380%0.802SS**  trans56.1115.6134.7-171.3-178.6-172171.74.8120.7V356R354-V356 HydrophobicContact CG-CG2 3.92Å
355A33Very low37.3Very low97 Ų97137.7 Ų137.780%0.80280%0.8SS**  -133134.612700000106.2
356V33.3Very low36.7Very low113 Ų113137 Ų13769%0.68580%0.796SS**  cis76.485.248.1-178.70000113.2R354R354-V356 HydrophobicContact CG-CG2 3.92Å
357S37.2Very low36Very low121 Ų121136.6 Ų136.685%0.84679%0.793SS**  trans-147.2155.5145.352.20000107.9
358G34.6Very low35.1Very low70 Ų70138.6 Ų138.672%0.72279%0.792SS**  trans-91.2171.4-166.200000115.6
359P38.1Very low34.5Very low119 Ų119135.6 Ų135.677%0.77378%0.784SS**  trans-79.6141.4-178.532.8-34.8000112.8
360A29.4Very low33.8Very low102 Ų102130.7 Ų130.784%0.84378%0.779SS**  trans-85.2106.216400000109.5
361V31.1Very low33Very low118 Ų118131.4 Ų131.472%0.71578%0.776SS**  trans-89.4113.5169.9178.30000108.6
362M34.1Very low32.5Very low174 Ų174126 Ų12686%0.85777%0.768SS**  trans-122.6123.1164.7-74.9-105.463.600107.7
363S29.6Very low32.3Very low112 Ų112125 Ų12578%0.78376%0.762SS**  trans-83.3126.5-166.1-53.80000113.2
364S30.1Very low32.4Very low116 Ų116125.5 Ų125.581%0.81177%0.765SS**  trans-137.479.8159.848.50000109.9
365A30.3Very low32.7Very low85 Ų85123.4 Ų123.470%0.70277%0.765SS**  trans-67139.8169.200000109.7T367A365-T367 PolarHBondContact O-N 3.4Å
366P29.5Very low33Very low117 Ų117124.3 Ų124.376%0.7676%0.756SS**  trans-65.4119.6169.527.5-32.4000108.7Q368P366-Q368 PolarHBondContact O-N 3.31Å
367T30.9Very low33.1Very low123 Ų123125.5 Ų125.576%0.75576%0.764SS**  trans-68.698.8176.445.70000110A365 I369A365-T367 PolarHBondContact O-N 3.4Å; T367-I369 PolarHBondContact O-N 3.33Å
368Q30.5Very low33.4Very low168 Ų168123.3 Ų123.379%0.78576%0.76SS**  trans-59.9103.3163.5-74.2-76.8-8.800108.6P366 T370P366-Q368 PolarHBondContact O-N 3.31Å; Q368-T370 PolarHBondContact O-N 2.88Å; Q368-T370 VanDerWaalsContact O-N 3.12Å
369I31Very low33.6Very low140 Ų140125.1 Ų125.172%0.71875%0.753SS**  trans-83.285.8175.2-61.4174.1000107.9T367 L371T367-I369 PolarHBondContact O-N 3.33Å; I369-L371 PolarHBondContact O-N 2.94Å
370T24.3Very low33.9Very low125 Ų125124.2 Ų124.277%0.76775%0.747SS**  trans-70.4111.8170.5-56.10000109.5Q368Q368-T370 PolarHBondContact O-N 2.88Å; Q368-T370 VanDerWaalsContact O-N 3.12Å
371L27.8Very low34.5Very low145 Ų145124.7 Ų124.776%0.75975%0.751SS**  trans-82.1134.6169.9-77.3165.3000110.6I369I369-L371 PolarHBondContact O-N 2.94Å
372P35.3Very low35.3Very low97 Ų97121.5 Ų121.563%0.6374%0.742SS**  trans-71.5130.5167.530.1-32.5000109.9T374P372-T374 PolarHBondContact O-N 3.37Å
373L33.9Very low35.7Very low149 Ų149115.6 Ų115.678%0.7872%0.717SS**SBendtrans-70.4-0-170.8-169.754.8000114.7Q375L373-Q375 PolarHBondContact O-N 3.35Å
374T41.6Very low36.5Very low118 Ų118117.9 Ų117.972%0.72471%0.713SS**THydrogen-bonded Turntrans-89.816.9-165.838.40000116.1P372P372-T374 PolarHBondContact O-N 3.37Å
375Q41.9Very low37.2Very low182 Ų182116.5 Ų116.585%0.8570%0.699SS**THydrogen-bonded Turntrans-125.517.6177.3-65.5-161.4-11.300115.3L373L373-Q375 PolarHBondContact O-N 3.35Å
376L37.8Very low37.8Very low116 Ų116118.5 Ų118.561%0.60770%0.697SS**  trans-107.31.5176.7-72.4171.3000114.8G378 L379L376-G378 VanDerWaalsContact C-N 3.31Å; L376-G378 PolarHBondContact O-N 3.05Å; L376-L379 HydrophobicContact CD2-CD1 3.99Å
377T36.7Very low38.4Very low138 Ų138117 Ų11785%0.84769%0.69SS**THydrogen-bonded Turntrans-75.677.4176.450.70000111.4
378G42.7Very low38.8Very low75 Ų75116 Ų11677%0.77368%0.678SS**THydrogen-bonded Turntrans170-5.6177.200000117L376L376-G378 VanDerWaalsContact C-N 3.31Å; L376-G378 PolarHBondContact O-N 3.05Å
379L39.8Very low39.2Very low108 Ų108110 Ų11057%0.56566%0.661SS**PPolyproline II helixtrans-92.6137.6177.3-73.4166.3000111.5L376L376-L379 HydrophobicContact CD2-CD1 3.99Å
380P44.3Very low39.4Very low100 Ų100106.6 Ų106.665%0.64966%0.661SS**PPolyproline II helixtrans-68.2149.7172.929.6-34.6000111.3G382P380-G382 PolarHBondContact O-N 3.1Å
381A41Very low39.9Very low113 Ų113105.5 Ų105.593%0.93466%0.664SS**THydrogen-bonded Turntrans-64.4116.3179.700000111
382G48.4Very low40.3Very low50 Ų50104.5 Ų104.552%0.51566%0.664SS.*THydrogen-bonded Turntrans146.2-26.5178.900000114.4P380P380-G382 PolarHBondContact O-N 3.1Å
383C43.3Very low40.2Very low51 Ų51103.3 Ų103.335%0.34567%0.669SS.*  trans-84.2127.4179.3-67.20000112.4
384K46Very low40.4Very low159 Ų159101 Ų10169%0.69167%0.672SS**EExtended strand (participates in β ladder)trans-116.5123165.9-76.7-174177.9177.90110.2L386K384-L386 HydrophobicContact CB-CD2 4.2Å
385V45Very low40.6Very low87 Ų8799.1 Ų99.153%0.52768%0.675SS.*EExtended strand (participates in β ladder)trans-83.6122.6169.6-178.70000107.9
386L42.1Very low40.5Very low127 Ų12797.1 Ų97.167%0.66567%0.666SS**EExtended strand (participates in β ladder)trans-98.6-21.7-174.1-65.1-162.9000115.4K384 L402K384-L386 HydrophobicContact CB-CD2 4.2Å; L386-L402 HydrophobicContact CD1-CD1 3.43Å; L386-L402 VanDerWaalsContact CD1-CD1 3.43Å; L386-L402 HydrophobicContact CG-CD1 3.98Å
387S41.9Very low41Very low85 Ų8596.7 Ų96.759%0.59466%0.661SS**EExtended strand (participates in β ladder)trans-164.2155.4173.1-163.90000113.2
388M38.7Very low41.3Very low102 Ų10293.3 Ų93.350%0.50264%0.641SS.*EExtended strand (participates in β ladder)trans-98.1123.4164.2-77.2-66.3-66.700109.2G390 Y399M388-G390 PolarHBondContact O-N 3.46Å; M388-Y399 HydrophobicContact CE-CE1 3.94Å; M388-Y399 HydrophobicContact SD-CD1 3.98Å; M388-Y399 HydrophobicContact SD-CE1 3.75Å
389G38.6Very low41.6Very low42 Ų4294.3 Ų94.343%0.43362%0.622SS.*PPolyproline II helixtrans-65128.9173.300000111.5
390G36.2Very low41.8Very low69 Ų6991.9 Ų91.971%0.71161%0.611SS**PPolyproline II helixtrans-61.5143.5174.900000111.9M388 V392M388-G390 PolarHBondContact O-N 3.46Å; G390-V392 PolarHBondContact O-N 2.94Å; G390-V392 VanDerWaalsContact O-N 3.11Å
391A34.6Very low41.9Very low102 Ų10288.9 Ų88.984%0.84359%0.591SS**  trans-64112.3-171.800000112.8
392V35.8Very low41.7Very low125 Ų12586.2 Ų86.276%0.75856%0.561SS**  trans-76149.2156.6-173.10000107.8G390G390-V392 PolarHBondContact O-N 2.94Å; G390-V392 VanDerWaalsContact O-N 3.11Å
393G34.8Very low41.4Very low72 Ų7286.5 Ų86.574%0.74255%0.552SS**SBendtrans-55.9151.5-171.600000114.6
394A38.2Very low41.1Very low100 Ų10086.2 Ų86.283%0.82655%0.551SS**SBendtrans6946.8179.700000116.8Q396A394-Q396 PolarHBondContact O-N 3.39Å
395G45.4Very low40.7Very low78 Ų7883.8 Ų83.880%0.80455%0.552SS**SBendtrans78.419141.700000118.1
396Q40Very low40.1Very low140 Ų14086.1 Ų86.165%0.65457%0.566SS**  trans-111.7120.6174.8-62.4-171.41.400111.3A394 A450A394-Q396 PolarHBondContact O-N 3.39Å; Q396-A450 HydrophobicContact CB-CB 4.23Å
397Q47.2Very low39.6Very low107 Ų10783.5 Ų83.550%0.557%0.569SS.*  trans-93.8122.5172.4-65.6-177-400109.9Y399 A450Q397-Y399 HydrophobicContact CB-CE2 4.32Å; Q397-Y399 PolarHBondContact OE1-OH 2.93Å; Q397-Y399 VanDerWaalsContact OE1-OH 3.05Å; Q397-A450 WeakPolarHBondContact O-CA 3.48Å; Q397-A450 WeakPolarHBondContact O-CB 3.34Å; Q397-A450 PolarHBondContact O-N 3.06Å
398T42.4Very low39.3Very low68 Ų6888.8 Ų88.842%0.41759%0.585SS.*  trans-95.5130.1175.836.30000111.1
399Y49.3Very low38.8Very low96 Ų9692.3 Ų92.338%0.37661%0.605SS.*EExtended strand (participates in β ladder)trans-105.8133.3177.5-60.4-82.5000110.2M388 Q397 T447 L448M388-Y399 HydrophobicContact CE-CE1 3.94Å; M388-Y399 HydrophobicContact SD-CD1 3.98Å; M388-Y399 HydrophobicContact SD-CE1 3.75Å; Q397-Y399 HydrophobicContact CB-CE2 4.32Å; Q397-Y399 PolarHBondContact OE1-OH 2.93Å; Q397-Y399 VanDerWaalsContact OE1-OH 3.05Å; Y399-T447 WeakPolarHBondContact O-CA 3.35Å; Y399-L448 PolarHBondContact N-O 2.73Å; Y399-L448 PolarHBondContact O-N 3.25Å
400T44Very low38.3Very low57 Ų5793.1 Ų93.135%0.3561%0.613SS.*EExtended strand (participates in β ladder)trans-117.6117173.9-52.10000108.4L445T400-L445 HydrophobicContact CG2-CD1 3.54Å; T400-L445 HydrophobicContact CG2-CG 4.15Å
401V47Very low38.4Very low37 Ų3796.4 Ų96.422%0.22462%0.622CS.*EExtended strand (participates in β ladder)trans-114.8136-178.2-175.90000109.4T403 I446V401-T403 HydrophobicContact CG1-CG2 4.23Å; V401-I446 PolarHBondContact N-O 2.91Å; V401-I446 PolarHBondContact O-N 3.26Å
402L37.9Very low38.3Very low57 Ų5798.9 Ų98.930%0.29862%0.621SS.*EExtended strand (participates in β ladder)trans-104.4126.5166.3-84.4158.9000108.6L386 L445L386-L402 HydrophobicContact CD1-CD1 3.43Å; L386-L402 VanDerWaalsContact CD1-CD1 3.43Å; L386-L402 HydrophobicContact CG-CD1 3.98Å; L402-L445 HydrophobicContact CD1-CD1 4.35Å; L402-L445 HydrophobicContact CD2-CB 4.48Å; L402-L445 HydrophobicContact CD2-CD1 3.82Å; L402-L445 HydrophobicContact CG-CD1 3.77Å
403T42.2Very low38.2Very low55 Ų5597.3 Ų97.334%0.33762%0.621SS.*EExtended strand (participates in β ladder)trans-108.8147.8171.764.70000109.4V401V401-T403 HydrophobicContact CG1-CG2 4.23Å
404S36.2Very low38.2Very low45 Ų4599.1 Ų99.132%0.31562%0.622SS.*  trans-126.1130.4172.7-170.20000107.9V406 Y443S404-V406 PolarHBondContact O-N 3.5Å; S404-Y443 WeakPolarHBondContact OG-CE1 3.48Å
405P37.4Very low37.9Very low109 Ų109101.3 Ų101.371%0.70862%0.62SS**  trans-75.4108.9171.630.2-30.9000109.3G442P405-G442 WeakPolarHBondContact CD-O 3.49Å
406V31.9Very low37.1Very low135 Ų135105.6 Ų105.682%0.81862%0.624SS**  trans-134.4118.6168.11720000107.4S404S404-V406 PolarHBondContact O-N 3.5Å
407G32.1Very low36.6Very low72 Ų72104.7 Ų104.774%0.74263%0.628SS**SBendtrans143.5126.7-173.300000110.3L409G407-L409 PolarHBondContact O-N 2.89Å
408E35.7Very low35.6Very low197 Ų197105.1 Ų105.192%0.92164%0.637SS**  trans-62.8115.3-171.3-64.1170.189.700113.5
409L27.7Very low34.7Very low175 Ų175109.5 Ų109.592%0.91666%0.658SS**  trans-144.9148.6150.8-79.3-175.8000109.8G407G407-L409 PolarHBondContact O-N 2.89Å
410G28.1Very low33.7Very low59 Ų59109.7 Ų109.761%0.60867%0.673SS**  trans-71173.8-173.700000115.3D412G410-D412 VanDerWaalsContact C-N 3.3Å; G410-D412 PolarHBondContact O-N 3.42Å
411P38.3Very low33Very low138 Ų138112.6 Ų112.690%0.89670%0.695SS**SBendtrans-80.463.5-167.234.7-38.5000114
412D33.4Very low32.1Very low155 Ų155115.4 Ų115.483%0.82972%0.723SS**  trans-150.886.5167-117.7-33.3000112.3G410G410-D412 VanDerWaalsContact C-N 3.3Å; G410-D412 PolarHBondContact O-N 3.42Å
413A33.2Very low31.7Very low92 Ų92116.9 Ų116.976%0.7674%0.743SS**  trans-133.227.4-178.300000113.5N415A413-N415 PolarHBondContact O-N 3.45Å
414S35.6Very low31Very low110 Ų110119.1 Ų119.177%0.76977%0.767SS**  trans-7840.3179.9-60.60000113.7
415N31.3Very low30.7Very low145 Ų145123.7 Ų123.778%0.77579%0.793SS**  trans-154.1102.2177.5-86.5-56.1000112.2A413A413-N415 PolarHBondContact O-N 3.45Å
416L28.6Very low30.3Very low168 Ų168127.1 Ų127.188%0.8880%0.8SS**  trans-132.595160.6-88175.8000109.7V418L416-V418 PolarHBondContact O-N 2.87Å
417T28.9Very low30.2Very low121 Ų121129.9 Ų129.974%0.74280%0.804SS**  trans-72.9110.8173.7-55.30000109.6L419T417-L419 PolarHBondContact O-N 3.44Å; T417-L419 VanDerWaalsContact O-N 3.11Å
418V27.3Very low30.4Very low116 Ų116130.6 Ų130.670%0.70381%0.81SS**  trans-68.7109.1172.7179.20000109.1L416 S420L416-V418 PolarHBondContact O-N 2.87Å; V418-S420 PolarHBondContact O-N 3.01Å
419L23.8Very low30Very low161 Ų161126 Ų12684%0.84381%0.806SS**  trans-71.382.2166.7-78.7171.5000109.5T417 S421T417-L419 PolarHBondContact O-N 3.44Å; T417-L419 VanDerWaalsContact O-N 3.11Å; L419-S421 PolarHBondContact O-N 3.11Å
420S27.7Very low30Very low99 Ų99122 Ų12269%0.69280%0.799SS**  trans-62.1101.7165.6-69.20000109.2V418 A422V418-S420 PolarHBondContact O-N 3.01Å; S420-A422 VanDerWaalsContact C-N 3.26Å; S420-A422 PolarHBondContact O-N 2.98Å
421S29.5Very low30Very low118 Ų118123.8 Ų123.883%0.82581%0.808SS**  trans-6885.7170.340.60000109.7L419 A423L419-S421 PolarHBondContact O-N 3.11Å; S421-A423 PolarHBondContact O-N 3.33Å
422A26.7Very low30Very low96 Ų96122.7 Ų122.779%0.79380%0.799SS**  trans-66.881171.700000110S420 A424S420-A422 VanDerWaalsContact C-N 3.26Å; S420-A422 PolarHBondContact O-N 2.98Å; A422-A424 PolarHBondContact O-N 3.4Å
423A31.3Very low30Very low89 Ų89120.9 Ų120.974%0.73679%0.793SS**  trans-55.9134165.400000108.7S421 V425S421-A423 PolarHBondContact O-N 3.33Å; A423-V425 PolarHBondContact O-N 3.12Å
424A27.3Very low30.3Very low101 Ų101120.1 Ų120.184%0.83579%0.787SS**  trans-59.9133.4-170.700000111.6A422 Q426A422-A424 PolarHBondContact O-N 3.4Å; A424-Q426 PolarHBondContact O-N 3.48Å; A424-Q426 VanDerWaalsContact O-N 3.16Å
425V29.9Very low30.5Very low142 Ų142121.3 Ų121.386%0.86178%0.779SS**  trans-71.3110.5175.1177.70000108.9A423A423-V425 PolarHBondContact O-N 3.12Å
426Q28.3Very low30.8Very low181 Ų181119.8 Ų119.885%0.84677%0.769SS**  trans-110.7144.4152.5-164.7159.8-0.700107.8A424A424-Q426 PolarHBondContact O-N 3.48Å; A424-Q426 VanDerWaalsContact O-N 3.16Å
427E28.7Very low31Very low193 Ų193119 Ų11990%0.90276%0.758SS**SBendtrans-64.8136.7-158.2-62.6170102.100113.9
428G36.8Very low31.2Very low86 Ų86119.9 Ų119.989%0.88776%0.756SS**  trans113.337.116100000118.8
429A26.7Very low31.7Very low100 Ų100119.6 Ų119.683%0.82675%0.754SS**  trans-138.1149.6167.500000112.6
430A28.4Very low32.2Very low93 Ų93114.2 Ų114.277%0.76973%0.73SS**  trans-77.8136.7-177.900000112.3T432A430-T432 PolarHBondContact O-N 2.89Å
431A29.2Very low32.5Very low96 Ų96116 Ų11679%0.79374%0.74SS**  trans-70.5117.2178.900000111.9
432T36.8Very low33.3Very low115 Ų115112.4 Ų112.471%0.70672%0.721SS**  trans-95.294.1177.339.50000110.9A430 A434A430-T432 PolarHBondContact O-N 2.89Å; T432-A434 PolarHBondContact O-N 3.13Å
433T34.2Very low34Very low116 Ų116113.7 Ų113.771%0.71271%0.706SS**  trans-79.6116.6179.543.20000112.1
434A39.2Very low34.5Very low76 Ų76114 Ų11463%0.62869%0.692SS**  trans-69.6135.7163.700000109.6T432T432-A434 PolarHBondContact O-N 3.13Å
435F40Very low35Very low136 Ų136111.7 Ų111.760%0.59667%0.665SS**  trans-119.9129.8-179.650.4-92.6000110.6T447F435-T447 HydrophobicContact CZ-CG2 4.16Å
436I37.5Very low35.8Very low113 Ų113107.6 Ų107.658%0.57964%0.638SS**EExtended strand (participates in β ladder)trans-105.6132174.4-60.2171.2000107.6
437K32.8Very low36.6Very low150 Ų150100.1 Ų100.165%0.65261%0.605SS**EExtended strand (participates in β ladder)trans-126.8110.2174.1-172.4173.3-178.7179.40108.9
438M32.5Very low37.2Very low140 Ų14095 Ų9569%0.6958%0.583SS**EExtended strand (participates in β ladder)trans-65.9135.2166-83.1-157.8-75.200109.3
439V37.9Very low37.5Very low110 Ų11093.5 Ų93.567%0.66756%0.558SS**EExtended strand (participates in β ladder)trans-108.4-31.1179.3-179.50000110.8
440S33.7Very low38.6Very low49 Ų4990.3 Ų90.334%0.34353%0.531SS..EExtended strand (participates in β ladder)trans-160.9162.5174.653.70000109.7G442 Y443S440-G442 VanDerWaalsContact C-N 3.35Å; S440-G442 PolarHBondContact O-N 3.12Å; S440-Y443 PolarHBondContact O-N 2.97Å
441P35.8Very low39.7Very low137 Ų13790 Ų9089%0.8953%0.528SS*.THydrogen-bonded Turntrans-70.388.9174.929.5-35000110.6
442G45Very low40.4Very low41 Ų4192 Ų9242%0.42353%0.525SS..THydrogen-bonded Turntrans158.1-25.9178.400000114.5P405 S440P405-G442 WeakPolarHBondContact CD-O 3.49Å; S440-G442 VanDerWaalsContact C-N 3.35Å; S440-G442 PolarHBondContact O-N 3.12Å
443Y41.5Very low40.8Very low124 Ų12488.9 Ų88.949%0.48652%0.516SS..EExtended strand (participates in β ladder)trans-126.8133.6-174.9-58.2-76.4000112.7S404 S440S404-Y443 WeakPolarHBondContact OG-CE1 3.48Å; S440-Y443 PolarHBondContact O-N 2.97Å
444Q41.8Very low41.2Very low95 Ų9588.6 Ų88.644%0.44451%0.514SS..EExtended strand (participates in β ladder)trans-112.4133.4174.4-62.7-170.51500110.6
445L38.6Very low41.3Very low52 Ų5293.5 Ų93.527%0.27252%0.524SS..EExtended strand (participates in β ladder)trans-103.2120.7174.9-171.871.4000109T400 L402T400-L445 HydrophobicContact CG2-CD1 3.54Å; T400-L445 HydrophobicContact CG2-CG 4.15Å; L402-L445 HydrophobicContact CD1-CD1 4.35Å; L402-L445 HydrophobicContact CD2-CB 4.48Å; L402-L445 HydrophobicContact CD2-CD1 3.82Å; L402-L445 HydrophobicContact CG-CD1 3.77Å
446I46.2Very low41.4Very low56 Ų5694 Ų9429%0.28753%0.533SS..EExtended strand (participates in β ladder)trans-120.7126.2-179.4-58177.6000109.5V401 L448V401-I446 PolarHBondContact N-O 2.91Å; V401-I446 PolarHBondContact O-N 3.26Å; I446-L448 HydrophobicContact CG2-CD1 4.07Å; I446-L448 HydrophobicContact CG2-CG 4.08Å
447T44.3Very low41.6Very low25 Ų2596.3 Ų96.315%0.15354%0.541CS..EExtended strand (participates in β ladder)trans-109.1121.9174.8-52.40000109.3Y399 F435Y399-T447 WeakPolarHBondContact O-CA 3.35Å; F435-T447 HydrophobicContact CZ-CG2 4.16Å
448L42.7Very low41.9Very low85 Ų8592.1 Ų92.145%0.44554%0.54SS..EExtended strand (participates in β ladder)trans-114.5132-176.4-80149.3000111.5Y399 I446Y399-L448 PolarHBondContact N-O 2.73Å; Y399-L448 PolarHBondContact O-N 3.25Å; I446-L448 HydrophobicContact CG2-CD1 4.07Å; I446-L448 HydrophobicContact CG2-CG 4.08Å
449P43.7Very low42.1Very low55 Ų5595 Ų9536%0.35755%0.549SS..  trans-66.9151.1171-19.932.8000112.8A451P449-A451 PolarHBondContact O-N 3.27Å
450A49.8Very low42.1Very low32 Ų3294.7 Ų94.726%0.26456%0.558SS.*G310 helixtrans-54.1-25.7-176.100000115.9Q396 Q397 L452 G453Q396-A450 HydrophobicContact CB-CB 4.23Å; Q397-A450 WeakPolarHBondContact O-CA 3.48Å; Q397-A450 WeakPolarHBondContact O-CB 3.34Å; Q397-A450 PolarHBondContact O-N 3.06Å; A450-L452 VanDerWaalsContact C-N 3.25Å; A450-L452 PolarHBondContact O-N 3.21Å; A450-L452 VanDerWaalsContact O-N 3.1Å; A450-G453 PolarHBondContact O-N 2.97Å
451A49.7Very low41.9Very low86 Ų8695.3 Ų95.371%0.71157%0.573SS**G310 helixtrans-68.4-12.2-161.200000115.8P449P449-A451 PolarHBondContact O-N 3.27Å
452L44.7Very low41.6Very low139 Ų13992.1 Ų92.173%0.72857%0.565SS**G310 helixtrans-85.7-10.9176.7-112.875.5000114.4A450 T454A450-L452 VanDerWaalsContact C-N 3.25Å; A450-L452 PolarHBondContact O-N 3.21Å; A450-L452 VanDerWaalsContact O-N 3.1Å; L452-T454 VanDerWaalsContact C-N 3.26Å; L452-T454 PolarHBondContact O-N 3.22Å
453G44.8Very low41.1Very low49 Ų4996.9 Ų96.951%0.50559%0.586SS.*THydrogen-bonded Turntrans-64.1-24.8-172.800000115.2A450A450-G453 PolarHBondContact O-N 2.97Å
454T42.5Very low40.5Very low111 Ų11199.2 Ų99.268%0.68161%0.606SS**THydrogen-bonded Turntrans-91.1-11.1-168.946.60000115.5L452L452-T454 VanDerWaalsContact C-N 3.26Å; L452-T454 PolarHBondContact O-N 3.22Å
455Q42.8Very low40.3Very low178 Ų178103.8 Ų103.883%0.83263%0.627SS**SBendtrans-85.3-14.9173.5-78.3-143.9-4300114.3
456L41.8Very low39.9Very low148 Ų148104.8 Ų104.878%0.77565%0.649SS**G310 helixtrans-80.4-12.7178.9-90.1161.1000114.5G458L456-G458 VanDerWaalsContact C-N 3.34Å; L456-G458 PolarHBondContact O-N 3.32Å
457Q41.8Very low39Very low160 Ų160108.6 Ų108.675%0.74868%0.676SS**G310 helixtrans-83.4-3.4179.7-71.5-176.2-47.800114.4
458G38.1Very low38.4Very low63 Ų63113.2 Ų113.265%0.64971%0.706SS**G310 helixtrans-76.2-17.4-179.500000115.8L456L456-G458 VanDerWaalsContact C-N 3.34Å; L456-G458 PolarHBondContact O-N 3.32Å
459F37.3Very low37.6Very low200 Ų200114.5 Ų114.588%0.87772%0.717SS**G310 helixtrans-94.81.3-170.9-87.5-86.1000115.4
460A37.1Very low36.7Very low103 Ų103120.6 Ų120.685%0.85174%0.744SS**SBendtrans-103.126.3-179.400000113.6
461G30.4Very low35.5Very low63 Ų63124.9 Ų124.965%0.64977%0.766SS**SBendtrans-125.6141174.500000110.8
462G30.1Very low34.2Very low70 Ų70125.3 Ų125.372%0.72277%0.77SS**  trans-73.4161.2-170.800000115.6
463T32.5Very low33.3Very low140 Ų140127.3 Ų127.386%0.85978%0.777SS**  trans60.3101.2167.358.40000117.9
464L29.7Very low32.6Very low173 Ų173131 Ų13191%0.90679%0.792SS**  -167.3174.1113.4-100.3163000111
465Q38.1Very low31.9Very low192 Ų192135.2 Ų135.290%0.89781%0.807SS**  trans-91.3144.8-164.7-61.9168.5-47.100113.5
466G29.2Very low31.1Very low72 Ų72130 Ų13074%0.74280%0.801SS**  trans152.791.9164.600000115.4
467T27.8Very low30.5Very low137 Ų137130.3 Ų130.384%0.8480%0.804SS**  trans-97.6125.4172490000112.1
468P31.8Very low29.8Very low121 Ų121130.2 Ų130.279%0.78681%0.808SS**  trans-108.2101.6155.833.4-24.1000110.5
469T26.2Very low29.3Very low112 Ų112132.2 Ų132.269%0.68782%0.819SS**  trans-72.6138.5168.7-45.40000109.7V471T469-V471 HydrophobicContact CG2-CG2 4.08Å
470M23.7Very low28.7Very low184 Ų184130.2 Ų130.291%0.90682%0.816SS**  trans-128.5137.9161.9-75.9-66-83.400109.7
471V25.9Very low28.2Very low121 Ų121134.3 Ų134.373%0.73382%0.818SS**  trans-118.5140.6-169.51780000109.1T469T469-V471 HydrophobicContact CG2-CG2 4.08Å
472A21.9Very low27.9Very low95 Ų95134.4 Ų134.479%0.78582%0.819SS**  trans-78.4146.2175.700000111.8
473M26.3Very low27.7Very low181 Ų181140.5 Ų140.589%0.89283%0.831SS**  trans-132.7136.6166.9-78.7-161.9163.600110.8
474P29.9Very low27.4Very low126 Ų126138.4 Ų138.482%0.81883%0.828SS**  trans-95.3149.5176.736.6-33000112.3
475M28.3Very low27.2Very low200 Ų200134.6 Ų134.699%0.98582%0.822SS**  trans-151.6154.9158.7-128.7179.3-177.200111.4
476G26.1Very low26.7Very low70 Ų70132.3 Ų132.372%0.72282%0.82SS**  trans-102.9-166.9-166.400000116.5
477N28.4Very low26.5Very low153 Ų153134.9 Ų134.982%0.81882%0.822SS**  trans-70.9164.4-163-71.1-1.9000117
478N27.5Very low26.5Very low158 Ų158132.5 Ų132.585%0.84582%0.816SS**  trans75.6105158.9-63-30.2000118.6
479A26Very low26.2Very low105 Ų105134.3 Ų134.387%0.86882%0.818SS**  -161.1143.6114.200000113.8
480L25.7Very low26.2Very low159 Ų159136.4 Ų136.483%0.83283%0.825SS**  trans-62.6131.4163.5-106.7155.8000111.8
481Q26.9Very low26.3Very low188 Ų188133.2 Ų133.288%0.87982%0.817SS**  174.3169.6113.5-97.1167.441.100113
482G23.7Very low26.3Very low66 Ų66135.8 Ų135.868%0.6882%0.821SS**  trans-121-166.5167.500000111.3
483M25.8Very low26.6Very low198 Ų198137.8 Ų137.898%0.97582%0.822SS**  trans79.4108.6-180-91.8176.2161.700118.4
484A26.5Very low26.5Very low96 Ų96135.5 Ų135.579%0.79381%0.814SS**  trans-19.7140156.100000120.2
485A25.9Very low26.3Very low93 Ų93135.8 Ų135.877%0.76981%0.813SS**  trans59.1126.5135.100000120.8
486V26.2Very low26.4Very low143 Ų143134.7 Ų134.787%0.86781%0.805SS**  -164.9173.1106.5150.20000109
487T26.9Very low26.5Very low126 Ų126137.9 Ų137.977%0.77381%0.811SS**  trans-96.5154-157.955.30000117.1
488A26.4Very low26.6Very low88 Ų88139.5 Ų139.573%0.72781%0.813SS**  trans89153.4134.300000122.7
489L26.9Very low26.7Very low159 Ų159140.5 Ų140.583%0.83281%0.813SS**  trans69.894.1164.1-93.571.1000121.2
490D24.6Very low26.9Very low155 Ų155140.1 Ų140.183%0.82981%0.81SS**  55.1157.5102.7-137.1-17.1000122.8
491T27.2Very low27.2Very low118 Ų118141.9 Ų141.972%0.72481%0.81SS**  trans85.882.2167.3-13.70000119.5
492Q25.5Very low27.5Very low175 Ų175141.6 Ų141.682%0.81881%0.809SS**  8.4132.6124.2-170.5-177.626.400119.5
493V27Very low28.1Very low136 Ų136143.8 Ų143.882%0.82481%0.81SS**  -178.9152.7121.71470000112.6
494D24.4Very low28.7Very low134 Ų134140.5 Ų140.572%0.71780%0.801SS**  trans-65.9162.4-177.8-140.9-68.8000116.1
495V27.5Very low29Very low131 Ų131144.9 Ų144.979%0.79481%0.805SS**  169.7139.9124.3154.10000111.9
496Q28.4Very low29.9Very low177 Ų177147.2 Ų147.283%0.82781%0.809SS**  trans-79.3147.6175.7-56.7170.9-36.600113.5
497V29.5Very low30.4Very low138 Ų138149.3 Ų149.384%0.83681%0.809SS**  trans-138.4149.6151.8-177.20000109.1
498Q31.1Very low31.3Very low187 Ų187152.8 Ų152.887%0.87484%0.838SS**  trans-138.4112.3-169.6175.8-175.1-2.100110.3
499E29.7Very low31.5Very low179 Ų179156 Ų15684%0.83684%0.844SS**  trans-130.8121168.3-80.8-175.511100107.9
500A30Very low31.8Very low96 Ų96155.8 Ų155.879%0.79385%0.845SS**  90.4131.363.500000110.9
501K32.1Very low32.2Very low196 Ų196155.9 Ų155.985%0.85285%0.845SS**  trans-137.4108.5-165.7177.8-168178.3-171.40108.2
502E32.8Very low32.5Very low182 Ų182158.1 Ų158.185%0.8585%0.853SS**  trans-102.6134.2178.9-166.8163-163.700110.8
503T34.8Very low32.9Very low113 Ų113157.1 Ų157.169%0.69386%0.855SS**  trans-115.8126.6177.445.10000108.5
504V40.3Very low33.3Very low129 Ų129158.5 Ų158.578%0.78286%0.857SS**  trans-107.2114.6174.9177.80000108.7
505E32.9Very low33.9Very low188 Ų188160.2 Ų160.288%0.87987%0.867SS**  trans-77.9156.8166.3-66.2177.1121.600110
506V43.9Very low34.4Very low141 Ų141162.5 Ų162.586%0.85587%0.872SS**  trans-127.1118.5177.51780000108.6
507E37.5Very low34.9Very low188 Ų188161.3 Ų161.388%0.87988%0.876SS**  trans-131.6114.5174.3-172.5-176.3152.300110
508S44.5Very low35.4Very low198 Ų198163.4 Ų163.4100%1.38588%0.88SS**  trans-1720160.8-75.80000109.5

Retrieved 508 of 508 residues in 362.7 ms (Link to these results)