A0A087YEB7_POEFO Loading...

Retinoic acid receptor, alpha b

AlphaFold DB (A0A3B3W061), UniProt , Accession A0A087YEB7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 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
1M40.2Very low35.9Very low252 Ų252127.4 Ų127.4100%1.24186%0.858SS**  0121.30-84.2178.1165.800108.1
2A34.4Very low35.5Very low102 Ų102132.6 Ų132.684%0.84386%0.86SS**  trans-88138.8-178.200000110.2
3G36Very low35.1Very low85 Ų85133.8 Ų133.888%0.87685%0.854SS**  trans-117.199.1163.900000109.1
4K36.9Very low34.8Very low211 Ų211132.4 Ų132.492%0.91784%0.837SS**  trans-82.6140.2171.6-80.9176.7168.2177.90109.8
5G33.6Very low34.5Very low81 Ų81128.7 Ų128.784%0.83583%0.834SS**  trans-148.6113.7160.100000108.7
6N33.7Very low34.2Very low162 Ų162131.9 Ų131.987%0.86683%0.831SS**  trans-94-178.6-167.9-1277.1000111.2
7P48.3Very low34.1Very low101 Ų101130.9 Ų130.966%0.65683%0.826SS**  trans-124.1-162.5-134.128.6-3000114.7
8V33.2Very low34.1Very low126 Ų126133.5 Ų133.576%0.76483%0.828SS**  trans96.5152.4157.2-170.20000115.3
9P41.2Very low34.1Very low119 Ų119131.7 Ų131.777%0.77382%0.819SS**  cis-118168.8-8.516.38.6000112.6
10G28.4Very low34.1Very low79 Ų79130.9 Ų130.981%0.81482%0.815SS**  cis92.776.944.300000110.6
11G29.3Very low33.9Very low83 Ų83134.6 Ų134.686%0.85682%0.816SS**  trans-120101.1176.700000111.6
12H30.8Very low33.2Very low190 Ų190127.2 Ų127.288%0.8879%0.788SS**  trans-82.4169162-113.7-74.5000109.7
13L30.7Very low33Very low149 Ų149132.1 Ų132.178%0.7879%0.787SS**  trans101.4127.8174.2-56.1164.5000111.4
14N30.3Very low32.5Very low114 Ų114137.5 Ų137.561%0.6179%0.786SS**  cis-156.8135.810.9-96-31000108.6F16N14-F16 HydrophobicContact CB-CD2 4.2Å; N14-F16 HydrophobicContact CB-CE2 4.12Å
15G30.6Very low32.2Very low77 Ų77136.1 Ų136.179%0.79478%0.781SS**  trans-73.4130.5158.300000109.2
16F29.4Very low32.1Very low180 Ų180138 Ų13879%0.78978%0.778SS**  trans-122.7141157.9-86.3-80000109.3N14N14-F16 HydrophobicContact CB-CD2 4.2Å; N14-F16 HydrophobicContact CB-CE2 4.12Å
17P33.5Very low31.8Very low114 Ų114137.9 Ų137.974%0.7477%0.772SS**PPolyproline II helixtrans-81.6136.6-167.733.5-32.9000111.1
18M32.7Very low30.9Very low178 Ų178142 Ų14288%0.87779%0.785SS**PPolyproline II helixtrans-71.1131.3167.3-76.4-74.7-94.400109.5
19P33.9Very low30.9Very low99 Ų99143.5 Ų143.564%0.64379%0.787SS**PPolyproline II helixtrans-73.9149.9179.529.4-32.5000111.4Y21P19-Y21 PolarHBondContact O-N 3.27Å
20P34.4Very low30.2Very low116 Ų116141.6 Ų141.675%0.75379%0.789SS**PPolyproline II helixtrans-72.6118.817429.1-30.2000109.6S22P20-S22 PolarHBondContact O-N 3.18Å
21Y30.6Very low30.1Very low209 Ų209141.3 Ų141.382%0.8279%0.787SS**  trans-59.1108.8165.5-92.1-89.7000109.1P19 Y23P19-Y21 PolarHBondContact O-N 3.27Å; Y21-Y23 PolarHBondContact O-N 2.83Å
22S25.6Very low30.1Very low96 Ų96146.7 Ų146.767%0.67179%0.792SS**  trans-82.8104.3173.4-59.30000107.8P20 F24P20-S22 PolarHBondContact O-N 3.18Å; S22-F24 PolarHBondContact O-N 3.31Å; S22-F24 VanDerWaalsContact O-N 3.1Å
23Y29.8Very low30.2Very low205 Ų205143.1 Ų143.180%0.80479%0.788SS**  trans-71.7102.3166.6-80-81.7000108.8Y21 F25Y21-Y23 PolarHBondContact O-N 2.83Å; Y23-F25 PolarHBondContact O-N 2.84Å
24F26.2Very low30.5Very low199 Ų199141.9 Ų141.987%0.87379%0.789SS**  trans-59.6111.8163.1-99.2-99.2000109.2S22S22-F24 PolarHBondContact O-N 3.31Å; S22-F24 VanDerWaalsContact O-N 3.1Å
25F30.5Very low30.7Very low182 Ų182142.5 Ų142.580%0.79880%0.799SS**PPolyproline II helixtrans-91.5128.9159.2-93-90000108.2Y23 H27Y23-F25 PolarHBondContact O-N 2.84Å; F25-H27 PolarHBondContact O-N 2.89Å
26P31.6Very low30.6Very low119 Ų119143.1 Ų143.177%0.77380%0.797SS**PPolyproline II helixtrans-70.8121.2167-10.826.3000109.6
27H27.7Very low30.6Very low160 Ų160142.2 Ų142.274%0.74180%0.8SS**PPolyproline II helixtrans-58.8130.2161.4-96.2-101.5000110.1F25F25-H27 PolarHBondContact O-N 2.89Å
28M29.6Very low30.3Very low188 Ų188141.8 Ų141.893%0.92680%0.8SS**  trans-125.7111.8150.7-75.6-67175.400107.8
29L31.3Very low30.1Very low157 Ų157136.6 Ų136.682%0.82279%0.792SS**  trans-96.2146.2172.9-86.2162.5000109.5
30G26.7Very low29.7Very low79 Ų79139.3 Ų139.381%0.81480%0.8SS**  trans120.9104.2166.800000111.6
31G27.6Very low29.8Very low74 Ų74139.8 Ų139.876%0.76380%0.803SS**  cis99.489.618.400000109.6
32M28.8Very low29.9Very low195 Ų195137.1 Ų137.196%0.96180%0.801SS**  trans-151.4127.1155.3-69-142.295.500110.9
33S33.8Very low30Very low115 Ų115137.7 Ų137.780%0.80481%0.805SS**PPolyproline II helixtrans-85.8161.7172.6-630000111.5
34P35.3Very low29.9Very low123 Ų123130.7 Ų130.780%0.79980%0.795SS**PPolyproline II helixtrans-89.9156.1-176.635.6-32.7000112.4
35P34.3Very low30Very low127 Ų127131.3 Ų131.383%0.82579%0.793SS**PPolyproline II helixtrans-93.4141.7165.633.8-25.6000111.6
36A28.7Very low29.9Very low90 Ų90127.7 Ų127.774%0.74479%0.791SS**PPolyproline II helixtrans-81.3155.5158.900000109.9
37L29.1Very low29.8Very low162 Ų162128.2 Ų128.285%0.84879%0.792SS**  trans176123.4130.9-92.2159.1000112.3
38S28.6Very low30.2Very low105 Ų105126.6 Ų126.673%0.73480%0.796SS**  trans20.5132.613945.80000123.6
39G27.4Very low30.3Very low69 Ų69122.9 Ų122.971%0.71179%0.788SS**  104.3107.7107.500000119.5
40L27.1Very low30.7Very low156 Ų156121.5 Ų121.582%0.81779%0.789SS**  trans44153.4137-72.2172.4000120.7
41P35.9Very low31Very low125 Ų125122.3 Ų122.381%0.81279%0.788SS**  cis-145.7-178.93938.8-15.5000118.4
42I32.7Very low31.2Very low153 Ų153125 Ų12579%0.78579%0.79SS**  trans-70.3145.5178.4-71.7157.2000113.3
43S28.3Very low31.6Very low108 Ų108124 Ų12476%0.75579%0.787SS**  trans-171.8134.3139.8-159.90000106.2
44G26.2Very low31.7Very low58 Ų58125.8 Ų125.860%0.59878%0.782SS**  cis130.7146.132.100000106.6
45Y29.3Very low31.6Very low212 Ų212127 Ų12783%0.83179%0.787SS**  trans107.796.9169-59.2-71.2000119.7
46S28.3Very low31.6Very low106 Ų106128.4 Ų128.474%0.74178%0.783SS**  63.9116.9115.3-53.10000122.6
47T29.2Very low32Very low130 Ų130130.2 Ų130.280%0.79879%0.79SS**  trans-39.4158.4152.4440000115.5
48P36.5Very low32.5Very low126 Ų126128.7 Ų128.782%0.81879%0.788SS**  -144.5160.85735.6-13.5000119
49S32Very low33Very low111 Ų111129.3 Ų129.378%0.77679%0.792SS**  trans-64.8166.4168-52.60000112.5
50P39.4Very low33.9Very low127 Ų127131.7 Ų131.783%0.82580%0.798SS**  -150.4177.588.937.5-17.9000116
51A32.1Very low34.5Very low97 Ų97133.6 Ų133.680%0.80280%0.802SS**  trans94.7102.5156.900000119.4
52T32.5Very low34.8Very low131 Ų131137 Ų13780%0.80481%0.807SS**  trans-52.1142.7159.939.50000115.5
53I36.6Very low35.3Very low174 Ų174137.4 Ų137.489%0.89281%0.81SS**  trans-139.8127138.7-61.1-175.6000108
54E35.6Very low36.6Very low151 Ų151138.4 Ų138.471%0.70681%0.811SS**  trans-76154.8-178.5-63.8176117.400113
55T33.9Very low37.8Very low149 Ų149141.3 Ų141.391%0.91482%0.819SS**  trans-151.7118.6140.83.50000108.9
56Q34.8Very low38.4Very low157 Ų157136.5 Ų136.573%0.73482%0.816SS**  trans-75.6143.1179.5-65174.3-0.400110.7
57S36.1Very low39.8Very low127 Ų127136.9 Ų136.989%0.88882%0.817SS**  trans-150.8135.7152.4-81.80000109.8
58T41.1Very low41.1Very low131 Ų131136.9 Ų136.980%0.80482%0.819SS**  trans-94.4137.7-162.655.40000111.9
59S38.7Very low41.7Very low118 Ų118136.2 Ų136.283%0.82582%0.817SS**  176.9122.6126.366.50000110.5
60S45.1Very low43.1Very low118 Ų118136.6 Ų136.683%0.82582%0.817SS**  trans-82.6141.5173.6-37.20000110.6
61E40.7Very low44.2Very low197 Ų197136.3 Ų136.392%0.92182%0.815SS**  trans-165.3141.4139.7-110.6178.7-174.300111.3
62E42.1Very low45.2Very low196 Ų196136.8 Ų136.892%0.91681%0.81SS**  trans-76.6153-168.2-65.5-166136.400114.4
63I43.3Very low46.5Very low162 Ų162135.8 Ų135.883%0.83181%0.805SS**  trans-102.3120.5-175.8-62.8160.1000110
64V55.7Low47.7Very low128 Ų128133.3 Ų133.378%0.77680%0.801SS**  trans-113.6133.7161.9-173.90000108.9
65P50.4Low49Very low119 Ų119135.5 Ų135.577%0.77380%0.803SS**PPolyproline II helixtrans-87.7130.9-178.2414.3000112.8
66S43.3Very low50.7Low111 Ų111135.3 Ų135.378%0.77680%0.801SS**PPolyproline II helixtrans-86.3152173.6-47.40000112.7
67P56.4Low52.6Low115 Ų115133 Ų13375%0.74779%0.786SS**PPolyproline II helixtrans-77.5158.1-17631.2-34.5000113.9
68P57.9Low55.1Low130 Ų130133.1 Ų133.184%0.84477%0.771SS**PPolyproline II helixtrans-77.7139.5-174.930-32.9000113.7
69S47.9Very low57.6Low112 Ų112130 Ų13078%0.78375%0.753SS**PPolyproline II helixtrans-73.4152.4-179.6-38.60000113.6
70P62.3Low60.4Low119 Ų119124.4 Ų124.477%0.77371%0.714SS**PPolyproline II helixtrans-70.9154.3-178.827.8-33.4000113.5
71P61.2Low62.9Low120 Ų120122.5 Ų122.578%0.77969%0.69SS**PPolyproline II helixtrans-72.4144.8-177.928.4-33.1000112.5
72P54Low65.6Low108 Ų108113.3 Ų113.370%0.70165%0.648SS**PPolyproline II helixtrans-71.8151.2-176.928-33.8000112.7
73P58.5Low68.2Low109 Ų109104 Ų10471%0.70860%0.604SS**PPolyproline II helixtrans-64.5154.8-178.824.7-32.8000113.1R75P73-R75 PolarHBondContact O-N 3.12Å
74P62.5Low70.8Confident122 Ų122102.3 Ų102.379%0.79259%0.593SS**PPolyproline II helixtrans-63.9122-176.724.5-33.3000111.7V76P74-V76 PolarHBondContact O-N 3.17Å
75R63.8Low72.7Confident198 Ų19897.4 Ų97.475%0.74756%0.562SS**  trans-69.1110179.6-63-177.2-169.8-1643.5110.2P73 Y77P73-R75 PolarHBondContact O-N 3.12Å; R75-Y77 HydrophobicContact CB-CE1 4.16Å; R75-Y77 HydrophobicContact CB-CE2 4.35Å; R75-Y77 WeakPolarHBondContact O-CD2 3.47Å; R75-Y77 WeakPolarHBondContact O-CE2 3.43Å; R75-Y77 PolarHBondContact O-N 3.44Å
76V69.8Low74.9Confident145 Ų145100.6 Ų100.688%0.87956%0.564SS**  trans-76.1109.2172.1-177.80000109P74P74-V76 PolarHBondContact O-N 3.17Å
77Y74Confident77.3Confident109 Ų10996 Ų9643%0.42753%0.532SS..PPolyproline II helixtrans-83.6141.2179-58.9-72.7000111.8R75 Y90R75-Y77 HydrophobicContact CB-CE1 4.16Å; R75-Y77 HydrophobicContact CB-CE2 4.35Å; R75-Y77 WeakPolarHBondContact O-CD2 3.47Å; R75-Y77 WeakPolarHBondContact O-CE2 3.43Å; R75-Y77 PolarHBondContact O-N 3.44Å; Y77-Y90 HydrophobicContact CD1-CD2 4.37Å; Y77-Y90 HydrophobicContact CD1-CE2 4.39Å
78K88Confident79.1Confident129 Ų12992.9 Ų92.956%0.56151%0.513SS*.PPolyproline II helixtrans-57.2152.2170.3-68.5-172.9176.5-176.90110.9F81 S87 S95K78-F81 HydrophobicContact CB-CE1 3.93Å; K78-F81 HydrophobicContact CB-CZ 4.1Å; K78-F81 HydrophobicContact CD-CE1 4.27Å; K78-F81 HydrophobicContact CD-CZ 3.86Å; K78-S87 WeakPolarHBondContact O-CB 3.36Å; K78-S95 PolarHBondContact O-OG 3.2Å
79P94.4Very high80.7Confident66 Ų6686.9 Ų86.943%0.42948%0.475SS..PPolyproline II helixtrans-60.2163.3177.526.4-35.4000112.5F81P79-F81 VanDerWaalsContact O-CD1 3.24Å; P79-F81 WeakPolarHBondContact O-CD1 3.25Å; P79-F81 PolarHBondContact O-N 2.64Å
80C97.6Very high82.9Confident0 Ų088.1 Ų88.10%046%0.464CS..PPolyproline II helixtrans-64.7116.1-179.9174.40000111.2V82 C83 Q84 D85 S95 C97C80-V82 PolarHBondContact O-N 3.13Å; C80-C83 PolarHBondContact O-N 3Å; C80-Q84 VanDerWaalsContact O-CA 3.24Å; C80-Q84 WeakPolarHBondContact O-CA 3.2Å; C80-Q84 PolarHBondContact O-N 3.15Å; C80-Q84 PolarHBondContact O-OE1 3.23Å; C80-D85 WeakPolarHBondContact CB-O 3.29Å; C80-D85 PolarHBondContact N-O 2.72Å; C80-S95 WeakPolarHBondContact CA-O 3.31Å; C80-C97 HydrophobicContact CB-CB 4.02Å; C80-C97 PolarHBondContact SG-N 2.78Å; C80-C97 VanDerWaalsContact SG-N 3.36Å
81F97.1Very high84.4Confident77 Ų7784 Ų8434%0.33843%0.434SS..THydrogen-bonded Turntrans-65.6-16.2-176.2-63-19.9000114.5K78 P79 V94 S95 V143K78-F81 HydrophobicContact CB-CE1 3.93Å; K78-F81 HydrophobicContact CB-CZ 4.1Å; K78-F81 HydrophobicContact CD-CE1 4.27Å; K78-F81 HydrophobicContact CD-CZ 3.86Å; P79-F81 VanDerWaalsContact O-CD1 3.24Å; P79-F81 WeakPolarHBondContact O-CD1 3.25Å; P79-F81 PolarHBondContact O-N 2.64Å; F81-V94 HydrophobicContact CD2-CB 4.47Å; F81-S95 PolarHBondContact N-O 3.02Å; F81-V143 HydrophobicContact CB-CB 4.11Å; F81-V143 HydrophobicContact CB-CG1 4.13Å; F81-V143 HydrophobicContact CB-CG2 4.37Å
82V97.8Very high86.1Confident4 Ų480.1 Ų80.12%0.02440%0.404CS..THydrogen-bonded Turntrans-83.2-41.4178.3-178.20000112.7C80 C100 I124 R136 K139 C140 V143 M145C80-V82 PolarHBondContact O-N 3.13Å; V82-C100 HydrophobicContact CB-CB 4.18Å; V82-C100 HydrophobicContact CG1-CB 4.3Å; V82-C100 HydrophobicContact CG2-CB 4.34Å; V82-I124 HydrophobicContact CG1-CG2 4.15Å; V82-I124 VanDerWaalsContact O-CG2 3.31Å; V82-I124 WeakPolarHBondContact O-CG2 3.24Å; V82-R136 HydrophobicContact CG1-CG 4.48Å; V82-K139 HydrophobicContact CG1-CB 4.29Å; V82-K139 HydrophobicContact CG1-CG 4.29Å; V82-C140 HydrophobicContact CG2-CB 4.48Å; V82-V143 HydrophobicContact CG2-CG2 3.65Å; V82-M145 HydrophobicContact CG2-CE 3.83Å; V82-M145 HydrophobicContact CG2-SD 4.41Å
83C97.3Very high87.8Confident0 Ų077.8 Ų77.80%040%0.4CS..THydrogen-bonded Turntrans-138.65.3-169.771.10000115C80 D85 C100 I124 N125 K126 R129C80-C83 PolarHBondContact O-N 3Å; C83-D85 PolarHBondContact O-N 3.08Å; C83-D85 VanDerWaalsContact O-N 3.12Å; C83-C100 VanDerWaalsContact SG-SG 3.66Å; C83-I124 HydrophobicContact CB-CG2 4.11Å; C83-N125 CarbonylContact O-C 3.55Å; C83-N125 WeakPolarHBondContact O-CA 3.47Å; C83-K126 PolarHBondContact O-N 3.4Å; C83-R129 HydrophobicContact CB-CB 4.26Å; C83-R129 PolarHBondContact SG-NH1 2.69Å
84Q97Very high89.6Confident128 Ų12873 Ų7360%0.59837%0.368SS*.  trans60.213.4-179.4-50-61.94.300115.9C80C80-Q84 VanDerWaalsContact O-CA 3.24Å; C80-Q84 WeakPolarHBondContact O-CA 3.2Å; C80-Q84 PolarHBondContact O-N 3.15Å; C80-Q84 PolarHBondContact O-OE1 3.23Å
85D96.1Very high91.2Very high24 Ų2467.2 Ų67.213%0.12833%0.331CS..SBendtrans-73.4166.6171.5-161.28.1000111.5C80 C83 S87 C97 K126 R129C80-D85 WeakPolarHBondContact CB-O 3.29Å; C80-D85 PolarHBondContact N-O 2.72Å; C83-D85 PolarHBondContact O-N 3.08Å; C83-D85 VanDerWaalsContact O-N 3.12Å; D85-S87 PolarHBondContact O-N 3.1Å; D85-S87 VanDerWaalsContact O-N 3.17Å; D85-C97 HydrophobicContact CB-CB 4.16Å; D85-K126 HydrophobicContact CB-CB 4.41Å; D85-K126 HydrophobicContact CB-CD 4.37Å; D85-K126 HydrophobicContact CB-CG 4.3Å; D85-K126 WeakPolarHBondContact OD1-CD 3.11Å; D85-K126 VanDerWaalsContact OD1-CE 3.25Å; D85-K126 WeakPolarHBondContact OD1-CE 3.34Å; D85-K126 IonicContact OD1-NZ 2.83Å; D85-K126 PolarHBondContact OD1-NZ 3.26Å; D85-R129 IonicContact OD2-CZ 3.72Å; D85-R129 IonicContact OD2-NH1 2.83Å; D85-R129 PolarHBondContact OD2-NH1 2.88Å; D85-R129 IonicContact OD2-NH2 3.42Å
86K95.3Very high92.8Very high186 Ų18657.8 Ų57.881%0.80930%0.295SS*.PPolyproline II helixtrans-56.5122.1177.3-173.4176.8179.5179.70109.8C97K86-C97 VanDerWaalsContact O-CB 3.29Å; K86-C97 WeakPolarHBondContact O-CB 3.24Å
87S95.3Very high94.1Very high14 Ų1451 Ų5110%0.09826%0.255CS..PPolyproline II helixtrans-73.8150.7176.8-1760000111.1K78 D85 G89 S95 A96K78-S87 WeakPolarHBondContact O-CB 3.36Å; D85-S87 PolarHBondContact O-N 3.1Å; D85-S87 VanDerWaalsContact O-N 3.17Å; S87-G89 PolarHBondContact OG-N 2.77Å; S87-G89 VanDerWaalsContact OG-N 3.13Å; S87-G89 PolarHBondContact OG-O 2.95Å; S87-G89 VanDerWaalsContact OG-O 3.08Å; S87-S95 VanDerWaalsContact CB-OG 3.23Å; S87-S95 WeakPolarHBondContact CB-OG 2.93Å; S87-S95 PolarHBondContact OG-OG 3.45Å; S87-A96 PolarHBondContact OG-N 3.23Å; S87-A96 PolarHBondContact OG-O 3.08Å
88S93.5Very high95.2Very high50 Ų5050.7 Ų50.735%0.3526%0.257SS..  trans-107.36.1174.349.10000112.1H91 A96 E98S88-H91 PolarHBondContact OG-CD2 2.91Å; S88-H91 PolarHBondContact OG-NE2 3.4Å; S88-A96 PolarHBondContact N-O 2.97Å; S88-A96 PolarHBondContact OG-O 3.46Å; S88-E98 PolarHBondContact OG-N 2.88Å; S88-E98 PolarHBondContact OG-OE1 3.49Å
89G91.3Very high95.6Very high5 Ų546 Ų465%0.05224%0.244CC..SBendtrans125-168.6-174.400000112.5S87 S95 A96S87-G89 PolarHBondContact OG-N 2.77Å; S87-G89 VanDerWaalsContact OG-N 3.13Å; S87-G89 PolarHBondContact OG-O 2.95Å; S87-G89 VanDerWaalsContact OG-O 3.08Å; G89-S95 WeakPolarHBondContact O-CA 3.23Å; G89-A96 PolarHBondContact O-N 3.17Å
90Y94.1Very high95.8Very high138 Ų13842.8 Ų42.854%0.54122%0.224SC..EExtended strand (participates in β ladder)trans-86.4119176.1-74.1-101000110Y77 V94Y77-Y90 HydrophobicContact CD1-CD2 4.37Å; Y77-Y90 HydrophobicContact CD1-CE2 4.39Å; Y90-V94 CarbonylContact C-O 3.38Å; Y90-V94 VanDerWaalsContact CA-O 3.29Å; Y90-V94 WeakPolarHBondContact CA-O 3.38Å
91H94.9Very high95.8Very high31 Ų3145.4 Ų45.414%0.14424%0.235CC..EExtended strand (participates in β ladder)trans-123.3126176.7-61-69.3000109.1S88 G93 V94 A96 E98 K101S88-H91 PolarHBondContact OG-CD2 2.91Å; S88-H91 PolarHBondContact OG-NE2 3.4Å; H91-G93 PolarHBondContact O-N 3.44Å; H91-V94 PolarHBondContact N-O 3.45Å; H91-V94 PolarHBondContact O-N 3.15Å; H91-A96 HydrophobicContact CB-CB 4.26Å; H91-A96 PolarHBondContact CD2-O 2.88Å; H91-E98 IonicContact CE1-OE1 3.75Å; H91-E98 IonicContact NE2-OE1 3.21Å; H91-E98 PolarHBondContact NE2-OE1 2.99Å; H91-K101 HydrophobicContact CB-CB 4.05Å; H91-K101 HydrophobicContact CB-CD 4.37Å; H91-K101 HydrophobicContact CB-CG 3.88Å; H91-K101 VanDerWaalsContact CE1-CE 3.47Å; H91-K101 WeakPolarHBondContact CE1-CE 3.5Å; H91-K101 PolarHBondContact CE1-NZ 3.05Å; H91-K101 WeakPolarHBondContact ND1-CD 3.44Å; H91-K101 VanDerWaalsContact ND1-CE 3.29Å; H91-K101 WeakPolarHBondContact ND1-CE 3.33Å
92Y95.2Very high95.8Very high39 Ų3942.2 Ų42.215%0.15322%0.224CC..THydrogen-bonded Turntrans5535.4-178.1-46.7-65.4000113.3K101 F104 R105 M145 S146 V150Y92-K101 HydrophobicContact CE2-CB 4.42Å; Y92-K101 HydrophobicContact CE2-CG 3.77Å; Y92-F104 AromaticContact CD2-CD1 3.63Å; Y92-F104 HydrophobicContact CD2-CD1 3.63Å; Y92-F104 HydrophobicContact CD2-CE1 4.34Å; Y92-F104 HydrophobicContact CD2-CG 4.49Å; Y92-F104 HydrophobicContact CE2-CD1 4.15Å; Y92-F104 AromaticContact CG-CD1 3.9Å; Y92-F104 HydrophobicContact CG-CD1 3.9Å; Y92-F104 HydrophobicContact CG-CE1 4.15Å; Y92-R105 HydrophobicContact CE2-CB 4.35Å; Y92-R105 WeakPolarHBondContact OH-CB 3.47Å; Y92-R105 WeakPolarHBondContact OH-CD 3.29Å; Y92-M145 CarbonylContact O-C 3.52Å; Y92-M145 WeakPolarHBondContact O-CA 3.18Å; Y92-S146 PolarHBondContact O-N 3.28Å; Y92-V150 HydrophobicContact CD1-CG2 3.71Å; Y92-V150 HydrophobicContact CE1-CB 4.34Å; Y92-V150 HydrophobicContact CE1-CG2 3.62Å; Y92-V150 HydrophobicContact CG-CG2 4.31Å
93G91.2Very high95.8Very high60 Ų6042.6 Ų42.662%0.61923%0.226SC*.THydrogen-bonded Turntrans96.6-9.217600000115.7H91H91-G93 PolarHBondContact O-N 3.44Å
94V94.6Very high95.8Very high8 Ų842.6 Ų42.65%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-133.5155.6-175-52.60000112.4F81 Y90 H91 A96 V143 G144 M145F81-V94 HydrophobicContact CD2-CB 4.47Å; Y90-V94 CarbonylContact C-O 3.38Å; Y90-V94 VanDerWaalsContact CA-O 3.29Å; Y90-V94 WeakPolarHBondContact CA-O 3.38Å; H91-V94 PolarHBondContact N-O 3.45Å; H91-V94 PolarHBondContact O-N 3.15Å; V94-A96 HydrophobicContact CG2-CB 4.44Å; V94-A96 PolarHBondContact O-N 3.36Å; V94-V143 HydrophobicContact CG1-CG2 4.5Å; V94-V143 WeakPolarHBondContact CG1-O 3.36Å; V94-V143 HydrophobicContact CG2-CG2 4.24Å; V94-G144 VanDerWaalsContact CG1-C 3.41Å; V94-G144 WeakPolarHBondContact CG1-O 3.43Å; V94-M145 HydrophobicContact CG2-CE 3.54Å; V94-M145 HydrophobicContact CG2-CG 3.37Å; V94-M145 HydrophobicContact CG2-SD 4.36Å
95S96.9Very high95.7Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-66.1119.5172.4-167.70000110.7K78 C80 F81 S87 G89K78-S95 PolarHBondContact O-OG 3.2Å; C80-S95 WeakPolarHBondContact CA-O 3.31Å; F81-S95 PolarHBondContact N-O 3.02Å; S87-S95 VanDerWaalsContact CB-OG 3.23Å; S87-S95 WeakPolarHBondContact CB-OG 2.93Å; S87-S95 PolarHBondContact OG-OG 3.45Å; G89-S95 WeakPolarHBondContact O-CA 3.23Å
96A97.1Very high95.6Very high0 Ų046 Ų460%023%0.231CC..  trans-144.4151.7-174.200000114.6S87 S88 G89 H91 V94 M145S87-A96 PolarHBondContact OG-N 3.23Å; S87-A96 PolarHBondContact OG-O 3.08Å; S88-A96 PolarHBondContact N-O 2.97Å; S88-A96 PolarHBondContact OG-O 3.46Å; G89-A96 PolarHBondContact O-N 3.17Å; H91-A96 HydrophobicContact CB-CB 4.26Å; H91-A96 PolarHBondContact CD2-O 2.88Å; V94-A96 HydrophobicContact CG2-CB 4.44Å; V94-A96 PolarHBondContact O-N 3.36Å; A96-M145 HydrophobicContact CB-CE 3.32Å
97C97.6Very high95.5Very high4 Ų437.2 Ų37.23%0.02719%0.193CC..  trans-79.3158.5168.768.60000110.9C80 D85 K86 G99 C100 K101 R129C80-C97 HydrophobicContact CB-CB 4.02Å; C80-C97 PolarHBondContact SG-N 2.78Å; C80-C97 VanDerWaalsContact SG-N 3.36Å; D85-C97 HydrophobicContact CB-CB 4.16Å; K86-C97 VanDerWaalsContact O-CB 3.29Å; K86-C97 WeakPolarHBondContact O-CB 3.24Å; C97-G99 PolarHBondContact O-N 3.04Å; C97-G99 VanDerWaalsContact O-N 3.15Å; C97-C100 PolarHBondContact O-N 3.47Å; C97-C100 VanDerWaalsContact O-N 3.17Å; C97-C100 PolarHBondContact SG-N 3.49Å; C97-C100 VanDerWaalsContact SG-N 3.44Å; C97-K101 WeakPolarHBondContact O-CB 3.49Å; C97-K101 PolarHBondContact O-N 3.24Å; C97-R129 PolarHBondContact SG-NH1 3.29Å; C97-R129 VanDerWaalsContact SG-NH1 3.4Å
98E97.3Very high95.3Very high102 Ų10237.6 Ų37.648%0.47719%0.194SC..Hα-helixtrans-55.9-32.1176.7-74.4-61.1137.700112.8S88 H91 K101 G102S88-E98 PolarHBondContact OG-N 2.88Å; S88-E98 PolarHBondContact OG-OE1 3.49Å; H91-E98 IonicContact CE1-OE1 3.75Å; H91-E98 IonicContact NE2-OE1 3.21Å; H91-E98 PolarHBondContact NE2-OE1 2.99Å; E98-K101 IonicContact OE1-NZ 3.58Å; E98-K101 PolarHBondContact OE1-NZ 2.89Å; E98-K101 VanDerWaalsContact OE2-CD 3.22Å; E98-K101 WeakPolarHBondContact OE2-CD 3.22Å; E98-K101 IonicContact OE2-NZ 3.61Å; E98-K101 PolarHBondContact OE2-NZ 2.93Å; E98-G102 PolarHBondContact O-N 3.14Å
99G97.3Very high94.9Very high29 Ų2937.7 Ų37.730%0.29919%0.189SC..Hα-helixtrans-64.1-46.3177.500000113.5C97 F103C97-G99 PolarHBondContact O-N 3.04Å; C97-G99 VanDerWaalsContact O-N 3.15Å; G99-F103 VanDerWaalsContact O-CB 3.27Å; G99-F103 WeakPolarHBondContact O-CB 3.42Å; G99-F103 PolarHBondContact O-N 3.05Å; G99-F103 VanDerWaalsContact O-N 3.09Å
100C98.1Very high94.3Very high0 Ų045 Ų450%022%0.219CC..Hα-helixtrans-77.1-34.6179.1-68.20000112V82 C83 C97 F103 F104 M145V82-C100 HydrophobicContact CB-CB 4.18Å; V82-C100 HydrophobicContact CG1-CB 4.3Å; V82-C100 HydrophobicContact CG2-CB 4.34Å; C83-C100 VanDerWaalsContact SG-SG 3.66Å; C97-C100 PolarHBondContact O-N 3.47Å; C97-C100 VanDerWaalsContact O-N 3.17Å; C97-C100 PolarHBondContact SG-N 3.49Å; C97-C100 VanDerWaalsContact SG-N 3.44Å; C100-F103 PolarHBondContact O-N 3.38Å; C100-F104 VanDerWaalsContact O-CB 3.27Å; C100-F104 WeakPolarHBondContact O-CB 3.5Å; C100-F104 PolarHBondContact O-N 3.01Å; C100-M145 HydrophobicContact CB-CE 4.36Å
101K97.5Very high93.5Very high54 Ų5444 Ų4424%0.23522%0.223CC..Hα-helixtrans-55.3-54.8169.5173.3-158.6-172.4-176.50111.4H91 Y92 C97 E98 F103 F104 R105H91-K101 HydrophobicContact CB-CB 4.05Å; H91-K101 HydrophobicContact CB-CD 4.37Å; H91-K101 HydrophobicContact CB-CG 3.88Å; H91-K101 VanDerWaalsContact CE1-CE 3.47Å; H91-K101 WeakPolarHBondContact CE1-CE 3.5Å; H91-K101 PolarHBondContact CE1-NZ 3.05Å; H91-K101 WeakPolarHBondContact ND1-CD 3.44Å; H91-K101 VanDerWaalsContact ND1-CE 3.29Å; H91-K101 WeakPolarHBondContact ND1-CE 3.33Å; Y92-K101 HydrophobicContact CE2-CB 4.42Å; Y92-K101 HydrophobicContact CE2-CG 3.77Å; C97-K101 WeakPolarHBondContact O-CB 3.49Å; C97-K101 PolarHBondContact O-N 3.24Å; E98-K101 IonicContact OE1-NZ 3.58Å; E98-K101 PolarHBondContact OE1-NZ 2.89Å; E98-K101 VanDerWaalsContact OE2-CD 3.22Å; E98-K101 WeakPolarHBondContact OE2-CD 3.22Å; E98-K101 IonicContact OE2-NZ 3.61Å; E98-K101 PolarHBondContact OE2-NZ 2.93Å; K101-F103 PolarHBondContact O-N 3.24Å; K101-F104 PolarHBondContact O-N 2.83Å; K101-R105 WeakPolarHBondContact O-CB 3.29Å; K101-R105 PolarHBondContact O-N 2.69Å
102G96.4Very high93.1Very high11 Ų1146.1 Ų46.111%0.11323%0.234CC..Hα-helixtrans-65.3-38.6-178.900000113E98 R106E98-G102 PolarHBondContact O-N 3.14Å; G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 VanDerWaalsContact O-CZ 3.31Å; G102-R106 PolarHBondContact O-N 3.39Å; G102-R106 VanDerWaalsContact O-N 3.11Å; G102-R106 PolarHBondContact O-NH1 3.09Å
103F97.9Very high92.5Very high11 Ų1150.6 Ų50.65%0.04827%0.265CS..Hα-helixtrans-62.1-49.6174.9173.1-98.7000111.8G99 C100 K101 R106 S107 Y114 Q133 R136 L137G99-F103 VanDerWaalsContact O-CB 3.27Å; G99-F103 WeakPolarHBondContact O-CB 3.42Å; G99-F103 PolarHBondContact O-N 3.05Å; G99-F103 VanDerWaalsContact O-N 3.09Å; C100-F103 PolarHBondContact O-N 3.38Å; K101-F103 PolarHBondContact O-N 3.24Å; F103-R106 PolarHBondContact O-N 3.46Å; F103-S107 WeakPolarHBondContact O-CB 3.18Å; F103-S107 PolarHBondContact O-N 2.71Å; F103-S107 PolarHBondContact O-OG 3.38Å; F103-Y114 AromaticContact CE2-CE2 3.97Å; F103-Y114 HydrophobicContact CE2-CE2 3.97Å; F103-Y114 HydrophobicContact CZ-CD2 4.33Å; F103-Y114 AromaticContact CZ-CE2 3.73Å; F103-Y114 HydrophobicContact CZ-CE2 3.73Å; F103-Q133 HydrophobicContact CE2-CB 4.14Å; F103-Q133 HydrophobicContact CE2-CG 4.17Å; F103-Q133 HydrophobicContact CZ-CB 4.18Å; F103-Q133 WeakPolarHBondContact CZ-O 3.37Å; F103-R136 HydrophobicContact CD1-CG 4.04Å; F103-R136 HydrophobicContact CE1-CB 3.93Å; F103-R136 HydrophobicContact CE1-CG 3.83Å; F103-R136 HydrophobicContact CZ-CB 4.12Å; F103-R136 HydrophobicContact CZ-CG 4.37Å; F103-L137 HydrophobicContact CE1-CB 3.82Å; F103-L137 HydrophobicContact CE1-CD1 4.26Å; F103-L137 HydrophobicContact CZ-CB 4.02Å
104F97.2Very high92.4Very high0 Ų049.3 Ų49.30%024%0.242CC..Hα-helixtrans-61.2-48.8179-172.3-103.1000111.2Y92 C100 K101 R106 S107 I108 L137 C140 L141 M145 S146 V150Y92-F104 AromaticContact CD2-CD1 3.63Å; Y92-F104 HydrophobicContact CD2-CD1 3.63Å; Y92-F104 HydrophobicContact CD2-CE1 4.34Å; Y92-F104 HydrophobicContact CD2-CG 4.49Å; Y92-F104 HydrophobicContact CE2-CD1 4.15Å; Y92-F104 AromaticContact CG-CD1 3.9Å; Y92-F104 HydrophobicContact CG-CD1 3.9Å; Y92-F104 HydrophobicContact CG-CE1 4.15Å; C100-F104 VanDerWaalsContact O-CB 3.27Å; C100-F104 WeakPolarHBondContact O-CB 3.5Å; C100-F104 PolarHBondContact O-N 3.01Å; K101-F104 PolarHBondContact O-N 2.83Å; F104-R106 PolarHBondContact O-N 2.87Å; F104-S107 PolarHBondContact O-N 2.81Å; F104-S107 VanDerWaalsContact O-N 3.16Å; F104-I108 HydrophobicContact CD1-CG1 4.17Å; F104-I108 HydrophobicContact CD2-CG1 4.34Å; F104-I108 HydrophobicContact CE1-CG1 3.84Å; F104-I108 HydrophobicContact CE2-CD1 4.14Å; F104-I108 HydrophobicContact CE2-CG1 4.04Å; F104-I108 HydrophobicContact CG-CG1 4.42Å; F104-I108 HydrophobicContact CZ-CD1 4.17Å; F104-I108 HydrophobicContact CZ-CG1 3.78Å; F104-I108 WeakPolarHBondContact O-CG1 3.41Å; F104-I108 PolarHBondContact O-N 3.34Å; F104-L137 HydrophobicContact CD2-CD1 3.93Å; F104-L137 HydrophobicContact CE2-CD1 4.26Å; F104-C140 HydrophobicContact CD2-CB 3.46Å; F104-C140 VanDerWaalsContact CD2-CB 3.46Å; F104-C140 HydrophobicContact CE2-CB 3.94Å; F104-C140 HydrophobicContact CG-CB 4.38Å; F104-L141 HydrophobicContact CE2-CD2 3.74Å; F104-L141 HydrophobicContact CE2-CG 4.3Å; F104-L141 HydrophobicContact CZ-CD2 4.08Å; F104-M145 HydrophobicContact CB-SD 3.74Å; F104-M145 HydrophobicContact CD1-CB 4.05Å; F104-M145 HydrophobicContact CD1-SD 4.12Å; F104-M145 HydrophobicContact CD2-CB 3.96Å; F104-M145 HydrophobicContact CD2-SD 3.9Å; F104-M145 HydrophobicContact CE1-CB 3.73Å; F104-M145 HydrophobicContact CE2-CB 3.62Å; F104-M145 HydrophobicContact CG-CB 4.15Å; F104-M145 HydrophobicContact CG-SD 3.65Å; F104-M145 HydrophobicContact CZ-CB 3.5Å; F104-M145 VanDerWaalsContact CZ-O 3.23Å; F104-M145 WeakPolarHBondContact CZ-O 3.27Å; F104-S146 WeakPolarHBondContact CE1-O 3.27Å; F104-V150 HydrophobicContact CD1-CG2 3.89Å; F104-V150 HydrophobicContact CE1-CG2 3.72Å
105R95.4Very high92Very high99 Ų9953.8 Ų53.837%0.37427%0.27SS..Hα-helixtrans-52.2-52.4176.2-173.4177.359.882.9-9.5112.6Y92 K101 S107 I108 Q109 V150Y92-R105 HydrophobicContact CE2-CB 4.35Å; Y92-R105 WeakPolarHBondContact OH-CB 3.47Å; Y92-R105 WeakPolarHBondContact OH-CD 3.29Å; K101-R105 WeakPolarHBondContact O-CB 3.29Å; K101-R105 PolarHBondContact O-N 2.69Å; R105-S107 VanDerWaalsContact C-N 3.34Å; R105-S107 PolarHBondContact O-N 3.13Å; R105-I108 PolarHBondContact O-N 2.93Å; R105-Q109 HydrophobicContact CG-CG 4.22Å; R105-Q109 VanDerWaalsContact O-CB 3.32Å; R105-Q109 WeakPolarHBondContact O-CB 3.39Å; R105-Q109 VanDerWaalsContact O-CG 3.25Å; R105-Q109 WeakPolarHBondContact O-CG 3.4Å; R105-Q109 PolarHBondContact O-N 2.96Å; R105-V150 HydrophobicContact CG-CG1 3.99Å
106R94.6Very high91.8Very high125 Ų12554.5 Ų54.547%0.47227%0.274SS..Hα-helixtrans-65.4-38.8-179.3-71.9-173.8-61.2-89.91.1112.2G102 F103 F104 I108 K110G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 VanDerWaalsContact O-CZ 3.31Å; G102-R106 PolarHBondContact O-N 3.39Å; G102-R106 VanDerWaalsContact O-N 3.11Å; G102-R106 PolarHBondContact O-NH1 3.09Å; F103-R106 PolarHBondContact O-N 3.46Å; F104-R106 PolarHBondContact O-N 2.87Å; R106-I108 VanDerWaalsContact C-N 3.34Å; R106-K110 WeakPolarHBondContact O-CB 3.45Å; R106-K110 PolarHBondContact O-N 3.45Å; R106-K110 VanDerWaalsContact O-N 3.17Å
107S92.1Very high91.5Very high1 Ų163 Ų631%0.00731%0.313CS..Hα-helixtrans-63.2-43.3179.5-55.80000111.1F103 F104 R105 N111 M112 Y114F103-S107 WeakPolarHBondContact O-CB 3.18Å; F103-S107 PolarHBondContact O-N 2.71Å; F103-S107 PolarHBondContact O-OG 3.38Å; F104-S107 PolarHBondContact O-N 2.81Å; F104-S107 VanDerWaalsContact O-N 3.16Å; R105-S107 VanDerWaalsContact C-N 3.34Å; R105-S107 PolarHBondContact O-N 3.13Å; S107-N111 PolarHBondContact O-N 3.33Å; S107-M112 PolarHBondContact O-N 3.37Å; S107-Y114 PolarHBondContact OG-OH 2.83Å
108I90.7Very high91.3Very high23 Ų2371.9 Ų71.912%0.11835%0.347CS..Hα-helixtrans-74.5-48.6178.8-61.5-42.5000112F104 R105 R106 K110 N111 K147 V150F104-I108 HydrophobicContact CD1-CG1 4.17Å; F104-I108 HydrophobicContact CD2-CG1 4.34Å; F104-I108 HydrophobicContact CE1-CG1 3.84Å; F104-I108 HydrophobicContact CE2-CD1 4.14Å; F104-I108 HydrophobicContact CE2-CG1 4.04Å; F104-I108 HydrophobicContact CG-CG1 4.42Å; F104-I108 HydrophobicContact CZ-CD1 4.17Å; F104-I108 HydrophobicContact CZ-CG1 3.78Å; F104-I108 WeakPolarHBondContact O-CG1 3.41Å; F104-I108 PolarHBondContact O-N 3.34Å; R105-I108 PolarHBondContact O-N 2.93Å; R106-I108 VanDerWaalsContact C-N 3.34Å; I108-K110 VanDerWaalsContact C-N 3.26Å; I108-K110 PolarHBondContact O-N 3.17Å; I108-N111 PolarHBondContact O-N 2.95Å; I108-N111 VanDerWaalsContact O-N 3.13Å; I108-K147 HydrophobicContact CB-CG 4.39Å; I108-K147 HydrophobicContact CD1-CB 4.44Å; I108-K147 HydrophobicContact CD1-CD 4.13Å; I108-K147 HydrophobicContact CD1-CG 3.81Å; I108-K147 HydrophobicContact CG1-CG 4.02Å; I108-K147 HydrophobicContact CG2-CD 4.38Å; I108-K147 HydrophobicContact CG2-CG 3.49Å; I108-K147 VanDerWaalsContact CG2-CG 3.49Å; I108-V150 HydrophobicContact CB-CB 4.22Å; I108-V150 HydrophobicContact CB-CG1 4.18Å; I108-V150 HydrophobicContact CB-CG2 4.07Å; I108-V150 HydrophobicContact CG1-CG2 4.25Å; I108-V150 HydrophobicContact CG2-CB 3.81Å; I108-V150 HydrophobicContact CG2-CG1 4.07Å; I108-V150 HydrophobicContact CG2-CG2 4.06Å
109Q86.1Confident91.1Very high52 Ų5274.7 Ų74.724%0.24336%0.36CS..Hα-helixtrans-60.8-33.6-177.3-74.2-178.5-34.200113.2R105 V150 R151 N152R105-Q109 HydrophobicContact CG-CG 4.22Å; R105-Q109 VanDerWaalsContact O-CB 3.32Å; R105-Q109 WeakPolarHBondContact O-CB 3.39Å; R105-Q109 VanDerWaalsContact O-CG 3.25Å; R105-Q109 WeakPolarHBondContact O-CG 3.4Å; R105-Q109 PolarHBondContact O-N 2.96Å; Q109-V150 HydrophobicContact CG-CG1 3.54Å; Q109-R151 PolarHBondContact NE2-O 2.95Å; Q109-N152 WeakPolarHBondContact CB-OD1 3.39Å; Q109-N152 WeakPolarHBondContact CG-OD1 3.4Å
110K78.8Confident90.9Very high157 Ų15779.7 Ų79.768%0.68337%0.373SS*.THydrogen-bonded Turntrans-98.97.1-179.9-63-172174.2-167.20113.6R106 I108 M112R106-K110 WeakPolarHBondContact O-CB 3.45Å; R106-K110 PolarHBondContact O-N 3.45Å; R106-K110 VanDerWaalsContact O-N 3.17Å; I108-K110 VanDerWaalsContact C-N 3.26Å; I108-K110 PolarHBondContact O-N 3.17Å; K110-M112 HydrophobicContact CB-CG 3.97Å; K110-M112 HydrophobicContact CB-SD 3.82Å; K110-M112 HydrophobicContact CD-SD 4.43Å; K110-M112 PolarHBondContact O-N 3.31Å
111N76.8Confident90.7Very high117 Ų11784.5 Ų84.563%0.62640%0.399SS*.THydrogen-bonded Turntrans4646.7-174-69.6-47.8000112.8S107 I108 V113S107-N111 PolarHBondContact O-N 3.33Å; I108-N111 PolarHBondContact O-N 2.95Å; I108-N111 VanDerWaalsContact O-N 3.13Å; N111-V113 PolarHBondContact O-N 3.25Å
112M86Confident90.7Very high77 Ų7783.2 Ų83.238%0.37940%0.396SS..  trans-65.5132.4-176.2-63.4-62.2-54.900111S107 K110 Y114S107-M112 PolarHBondContact O-N 3.37Å; K110-M112 HydrophobicContact CB-CG 3.97Å; K110-M112 HydrophobicContact CB-SD 3.82Å; K110-M112 HydrophobicContact CD-SD 4.43Å; K110-M112 PolarHBondContact O-N 3.31Å; M112-Y114 HydrophobicContact CB-CE1 4.14Å; M112-Y114 HydrophobicContact CB-CE2 3.88Å; M112-Y114 HydrophobicContact CE-CE1 3.9Å
113V84.1Confident90.7Very high133 Ų13389.2 Ų89.281%0.80642%0.424SS*.  trans-107.8122.8169.4-176.70000108N111N111-V113 PolarHBondContact O-N 3.25Å
114Y89.1Confident90.7Very high33 Ų3389.7 Ų89.713%0.12943%0.427CS..  trans-111.2151.1178.9-61-59.2000110.5F103 S107 M112 Q133 Y134 L137F103-Y114 AromaticContact CE2-CE2 3.97Å; F103-Y114 HydrophobicContact CE2-CE2 3.97Å; F103-Y114 HydrophobicContact CZ-CD2 4.33Å; F103-Y114 AromaticContact CZ-CE2 3.73Å; F103-Y114 HydrophobicContact CZ-CE2 3.73Å; S107-Y114 PolarHBondContact OG-OH 2.83Å; M112-Y114 HydrophobicContact CB-CE1 4.14Å; M112-Y114 HydrophobicContact CB-CE2 3.88Å; M112-Y114 HydrophobicContact CE-CE1 3.9Å; Y114-Q133 HydrophobicContact CD1-CB 3.59Å; Y114-Q133 HydrophobicContact CD1-CG 4.39Å; Y114-Q133 VanDerWaalsContact CD1-OE1 3.26Å; Y114-Q133 HydrophobicContact CD2-CB 3.84Å; Y114-Q133 HydrophobicContact CE1-CB 3.87Å; Y114-Q133 HydrophobicContact CE1-CG 4.32Å; Y114-Q133 VanDerWaalsContact CE1-OE1 3.23Å; Y114-Q133 HydrophobicContact CE2-CB 4.09Å; Y114-Q133 HydrophobicContact CG-CB 3.58Å; Y114-Y134 WeakPolarHBondContact O-CD2 3.39Å; Y114-L137 HydrophobicContact CD2-CB 4.21Å; Y114-L137 HydrophobicContact CD2-CD2 3.85Å; Y114-L137 HydrophobicContact CE2-CB 4.49Å; Y114-L137 HydrophobicContact CE2-CD2 4.01Å
115T85.6Confident90.6Very high102 Ų10292.5 Ų92.563%0.62644%0.442SS*.  trans-114.6136.4175.4-55.10000109.7
116C92.2Very high90.7Very high15 Ų1593.7 Ų93.710%0.10145%0.45CS..  trans-90.8130.8168.8-170.40000109.1R118 K120 Y134C116-R118 VanDerWaalsContact C-N 3.3Å; C116-R118 PolarHBondContact SG-N 3.48Å; C116-K120 HydrophobicContact CB-CG 3.83Å; C116-Y134 HydrophobicContact CB-CD1 3.63Å; C116-Y134 HydrophobicContact CB-CE1 4.39Å; C116-Y134 HydrophobicContact CB-CG 4.01Å
117H91.9Very high90.7Very high177 Ų17793.3 Ų93.382%0.81946%0.461SS*.SBendtrans-94.820.2175.7-60.2-77.7000113
118R93.3Very high90.9Very high192 Ų19294.1 Ų94.173%0.72547%0.466SS*.SBendtrans-135.4-157.6175.7-57.1-173.1-175.2-154.2-3.6108C116 K120C116-R118 VanDerWaalsContact C-N 3.3Å; C116-R118 PolarHBondContact SG-N 3.48Å; R118-K120 PolarHBondContact O-N 3.17Å; R118-K120 VanDerWaalsContact O-N 3.1Å
119E92.2Very high91.2Very high160 Ų16095.1 Ų95.175%0.74847%0.468SS*.SBendtrans-83.526.4-177.2-60.5166.8-175.900114.4N121E119-N121 PolarHBondContact O-N 3.34Å; E119-N121 PolarHBondContact OE2-ND2 3.1Å; E119-N121 VanDerWaalsContact OE2-ND2 3.1Å
120K93.3Very high91.6Very high135 Ų13598.3 Ų98.359%0.58749%0.487SS*.SBendtrans57.313.3179.9-64.8177.8176.2178.20115.7C116 R118 Y134 C135C116-K120 HydrophobicContact CB-CG 3.83Å; R118-K120 PolarHBondContact O-N 3.17Å; R118-K120 VanDerWaalsContact O-N 3.1Å; K120-Y134 HydrophobicContact CB-CD1 4.41Å; K120-Y134 HydrophobicContact CB-CE1 3.77Å; K120-Y134 HydrophobicContact CD-CE1 3.75Å; K120-Y134 HydrophobicContact CG-CD1 4.1Å; K120-Y134 HydrophobicContact CG-CE1 3.51Å; K120-C135 PolarHBondContact O-SG 3.35Å
121N94.1Very high92.5Very high101 Ų10199.7 Ų99.754%0.5449%0.488SS..  trans-112.523.9-176.960.42.4000113.7E119 I123E119-N121 PolarHBondContact O-N 3.34Å; E119-N121 PolarHBondContact OE2-ND2 3.1Å; E119-N121 VanDerWaalsContact OE2-ND2 3.1Å; N121-I123 PolarHBondContact O-N 2.94Å
122C96.4Very high93.4Very high27 Ų2794.8 Ų94.818%0.18246%0.463CS..  trans-63.1127.8-175.7-59.90000112.4I124 C132 C135C122-I124 PolarHBondContact O-N 3.22Å; C122-C132 HydrophobicContact CB-CB 3.97Å; C122-C135 HydrophobicContact CB-CB 3.79Å; C122-C135 PolarHBondContact N-SG 3.49Å
123I96.3Very high93.9Very high136 Ų13696 Ų9670%0.69747%0.468SS*.  trans-65125.4176.3-60.1172.6000110.7N121 T128N121-I123 PolarHBondContact O-N 2.94Å; I123-T128 WeakPolarHBondContact O-CB 3.39Å; I123-T128 PolarHBondContact O-OG1 3.11Å
124I98Very high94.6Very high22 Ų2292.4 Ų92.411%0.11344%0.44CS..  trans-104.9108178.2-53.1-57.5000110.1V82 C83 C122 R129 C135 R136 K139V82-I124 HydrophobicContact CG1-CG2 4.15Å; V82-I124 VanDerWaalsContact O-CG2 3.31Å; V82-I124 WeakPolarHBondContact O-CG2 3.24Å; C83-I124 HydrophobicContact CB-CG2 4.11Å; C122-I124 PolarHBondContact O-N 3.22Å; I124-R129 HydrophobicContact CG2-CB 3.88Å; I124-C135 HydrophobicContact CD1-CB 4.06Å; I124-C135 HydrophobicContact CG1-CB 4.48Å; I124-R136 HydrophobicContact CD1-CB 4.03Å; I124-R136 HydrophobicContact CG2-CG 4.11Å; I124-K139 HydrophobicContact CG1-CB 4.29Å
125N96.6Very high94.9Very high58 Ų5891.2 Ų91.231%0.3144%0.436SS..  trans-134.6179172.36644.9000110.8C83 V127 T128 R129C83-N125 CarbonylContact O-C 3.55Å; C83-N125 WeakPolarHBondContact O-CA 3.47Å; N125-V127 PolarHBondContact O-N 2.9Å; N125-V127 VanDerWaalsContact O-N 3.08Å; N125-V127 PolarHBondContact OD1-N 3.02Å; N125-T128 VanDerWaalsContact CG-OG1 3.23Å; N125-T128 PolarHBondContact N-OG1 3.35Å; N125-T128 PolarHBondContact ND2-OG1 3.14Å; N125-T128 PolarHBondContact O-N 3.41Å; N125-T128 PolarHBondContact OD1-N 3.4Å; N125-T128 PolarHBondContact OD1-OG1 3.27Å; N125-T128 VanDerWaalsContact OD1-OG1 3.1Å; N125-R129 WeakPolarHBondContact O-CB 3.34Å; N125-R129 PolarHBondContact O-N 2.92Å
126K95.7Very high95.5Very high125 Ų12586.9 Ų86.954%0.54341%0.409SS..THydrogen-bonded Turntrans-49.6-37.7-178.5-176.2173.5-177152.30113.6C83 D85C83-K126 PolarHBondContact O-N 3.4Å; D85-K126 HydrophobicContact CB-CB 4.41Å; D85-K126 HydrophobicContact CB-CD 4.37Å; D85-K126 HydrophobicContact CB-CG 4.3Å; D85-K126 WeakPolarHBondContact OD1-CD 3.11Å; D85-K126 VanDerWaalsContact OD1-CE 3.25Å; D85-K126 WeakPolarHBondContact OD1-CE 3.34Å; D85-K126 IonicContact OD1-NZ 2.83Å; D85-K126 PolarHBondContact OD1-NZ 3.26Å
127V96.4Very high95.8Very high116 Ų11687 Ų8770%0.70341%0.409SS*.THydrogen-bonded Turntrans-86.1-41.4-176.9-175.90000111.5N125N125-V127 PolarHBondContact O-N 2.9Å; N125-V127 VanDerWaalsContact O-N 3.08Å; N125-V127 PolarHBondContact OD1-N 3.02Å
128T95.9Very high96Very high18 Ų1882 Ų8211%0.1139%0.385CS..THydrogen-bonded Turntrans-94.3-9.2-170.563.60000114.5I123 N125 N130 R131I123-T128 WeakPolarHBondContact O-CB 3.39Å; I123-T128 PolarHBondContact O-OG1 3.11Å; N125-T128 VanDerWaalsContact CG-OG1 3.23Å; N125-T128 PolarHBondContact N-OG1 3.35Å; N125-T128 PolarHBondContact ND2-OG1 3.14Å; N125-T128 PolarHBondContact O-N 3.41Å; N125-T128 PolarHBondContact OD1-N 3.4Å; N125-T128 PolarHBondContact OD1-OG1 3.27Å; N125-T128 VanDerWaalsContact OD1-OG1 3.1Å; T128-N130 PolarHBondContact O-N 3.19Å; T128-R131 WeakPolarHBondContact O-CB 3.28Å; T128-R131 WeakPolarHBondContact O-CG 3.45Å; T128-R131 PolarHBondContact O-N 3.48Å
129R96.3Very high96.3Very high44 Ų4476.5 Ų76.517%0.16637%0.367CS..THydrogen-bonded Turntrans-56.3-18.7-172.864-170.9-171-170-5.9116C83 D85 C97 I124 N125 R136C83-R129 HydrophobicContact CB-CB 4.26Å; C83-R129 PolarHBondContact SG-NH1 2.69Å; D85-R129 IonicContact OD2-CZ 3.72Å; D85-R129 IonicContact OD2-NH1 2.83Å; D85-R129 PolarHBondContact OD2-NH1 2.88Å; D85-R129 IonicContact OD2-NH2 3.42Å; C97-R129 PolarHBondContact SG-NH1 3.29Å; C97-R129 VanDerWaalsContact SG-NH1 3.4Å; I124-R129 HydrophobicContact CG2-CB 3.88Å; N125-R129 WeakPolarHBondContact O-CB 3.34Å; N125-R129 PolarHBondContact O-N 2.92Å; R129-R136 VanDerWaalsContact CD-NH2 3.32Å; R129-R136 WeakPolarHBondContact O-CD 3.41Å; R129-R136 PolarHBondContact O-NH1 2.97Å; R129-R136 VanDerWaalsContact O-NH1 3.14Å
130N95.8Very high96.5Very high120 Ų12068.9 Ų68.964%0.64233%0.331SS*.THydrogen-bonded Turntrans-93.8-8.4177.1-64-31000113.7T128 R136T128-N130 PolarHBondContact O-N 3.19Å; N130-R136 PolarHBondContact OD1-NH1 2.97Å
131R96.2Very high96.6Very high186 Ų18665.9 Ų65.970%0.70232%0.321SS*.SBendtrans-71.8-29.6-174.5-65.3-178.3-178.7-179.6-1.9113.6T128T128-R131 WeakPolarHBondContact O-CB 3.28Å; T128-R131 WeakPolarHBondContact O-CG 3.45Å; T128-R131 PolarHBondContact O-N 3.48Å
132C96.9Very high96.7Very high14 Ų1467 Ų6710%0.09532%0.323CS..  trans-144.2109.9177.7-177.70000110.3C122 C135 R136C122-C132 HydrophobicContact CB-CB 3.97Å; C132-C135 HydrophobicContact CB-CB 4.31Å; C132-C135 PolarHBondContact SG-N 3.05Å; C132-C135 VanDerWaalsContact SG-SG 3.67Å; C132-R136 WeakPolarHBondContact O-CB 3.42Å; C132-R136 PolarHBondContact O-N 2.85Å
133Q96.1Very high96.6Very high103 Ų10367.5 Ų67.548%0.48133%0.325SS..Hα-helixtrans-70.5-34.2-179.5-65.2170.6-34.100111.7F103 Y114 R136 L137F103-Q133 HydrophobicContact CE2-CB 4.14Å; F103-Q133 HydrophobicContact CE2-CG 4.17Å; F103-Q133 HydrophobicContact CZ-CB 4.18Å; F103-Q133 WeakPolarHBondContact CZ-O 3.37Å; Y114-Q133 HydrophobicContact CD1-CB 3.59Å; Y114-Q133 HydrophobicContact CD1-CG 4.39Å; Y114-Q133 VanDerWaalsContact CD1-OE1 3.26Å; Y114-Q133 HydrophobicContact CD2-CB 3.84Å; Y114-Q133 HydrophobicContact CE1-CB 3.87Å; Y114-Q133 HydrophobicContact CE1-CG 4.32Å; Y114-Q133 VanDerWaalsContact CE1-OE1 3.23Å; Y114-Q133 HydrophobicContact CE2-CB 4.09Å; Y114-Q133 HydrophobicContact CG-CB 3.58Å; Q133-R136 PolarHBondContact O-N 3.42Å; Q133-L137 WeakPolarHBondContact O-CB 3.43Å; Q133-L137 PolarHBondContact O-N 3.36Å
134Y97.8Very high96.5Very high56 Ų5663.1 Ų63.122%0.2231%0.313CS..Hα-helixtrans-58.7-59175.4175.2-93.1000111.6Y114 C116 K120 R136 L137 Q138Y114-Y134 WeakPolarHBondContact O-CD2 3.39Å; C116-Y134 HydrophobicContact CB-CD1 3.63Å; C116-Y134 HydrophobicContact CB-CE1 4.39Å; C116-Y134 HydrophobicContact CB-CG 4.01Å; K120-Y134 HydrophobicContact CB-CD1 4.41Å; K120-Y134 HydrophobicContact CB-CE1 3.77Å; K120-Y134 HydrophobicContact CD-CE1 3.75Å; K120-Y134 HydrophobicContact CG-CD1 4.1Å; K120-Y134 HydrophobicContact CG-CE1 3.51Å; Y134-R136 PolarHBondContact O-N 3.46Å; Y134-L137 PolarHBondContact O-N 3.19Å; Y134-L137 VanDerWaalsContact O-N 3.14Å; Y134-Q138 HydrophobicContact CD1-CG 4.25Å; Y134-Q138 HydrophobicContact CD2-CG 4.48Å; Y134-Q138 HydrophobicContact CE1-CG 3.84Å; Y134-Q138 HydrophobicContact CE2-CG 4.13Å; Y134-Q138 WeakPolarHBondContact O-CG 3.38Å; Y134-Q138 PolarHBondContact O-N 3.14Å
135C97Very high96.5Very high8 Ų862.3 Ų62.35%0.05431%0.309CS..Hα-helixtrans-63.5-31.1-179-64.50000111.8K120 C122 I124 C132 K139K120-C135 PolarHBondContact O-SG 3.35Å; C122-C135 HydrophobicContact CB-CB 3.79Å; C122-C135 PolarHBondContact N-SG 3.49Å; I124-C135 HydrophobicContact CD1-CB 4.06Å; I124-C135 HydrophobicContact CG1-CB 4.48Å; C132-C135 HydrophobicContact CB-CB 4.31Å; C132-C135 PolarHBondContact SG-N 3.05Å; C132-C135 VanDerWaalsContact SG-SG 3.67Å; C135-K139 VanDerWaalsContact O-CB 3.28Å; C135-K139 WeakPolarHBondContact O-CB 3.38Å; C135-K139 PolarHBondContact O-N 2.94Å
136R98.3Very high96.2Very high11 Ų1161 Ų614%0.04231%0.305CS..Hα-helixtrans-66.9-43.9174.5-164.9-166.1-166.8158.5-6.4112.3V82 F103 I124 R129 N130 C132 Q133 Y134 K139 C140V82-R136 HydrophobicContact CG1-CG 4.48Å; F103-R136 HydrophobicContact CD1-CG 4.04Å; F103-R136 HydrophobicContact CE1-CB 3.93Å; F103-R136 HydrophobicContact CE1-CG 3.83Å; F103-R136 HydrophobicContact CZ-CB 4.12Å; F103-R136 HydrophobicContact CZ-CG 4.37Å; I124-R136 HydrophobicContact CD1-CB 4.03Å; I124-R136 HydrophobicContact CG2-CG 4.11Å; R129-R136 VanDerWaalsContact CD-NH2 3.32Å; R129-R136 WeakPolarHBondContact O-CD 3.41Å; R129-R136 PolarHBondContact O-NH1 2.97Å; R129-R136 VanDerWaalsContact O-NH1 3.14Å; N130-R136 PolarHBondContact OD1-NH1 2.97Å; C132-R136 WeakPolarHBondContact O-CB 3.42Å; C132-R136 PolarHBondContact O-N 2.85Å; Q133-R136 PolarHBondContact O-N 3.42Å; Y134-R136 PolarHBondContact O-N 3.46Å; R136-K139 PolarHBondContact O-N 3.36Å; R136-C140 PolarHBondContact O-N 3.33Å; R136-C140 PolarHBondContact O-SG 3.19Å
137L97.4Very high95.9Very high19 Ų1959.9 Ų59.910%0.09930%0.3CS..Hα-helixtrans-68.5-41.9178.5-177.160000111.2F103 F104 Y114 Q133 Y134 K139 C140 L141F103-L137 HydrophobicContact CE1-CB 3.82Å; F103-L137 HydrophobicContact CE1-CD1 4.26Å; F103-L137 HydrophobicContact CZ-CB 4.02Å; F104-L137 HydrophobicContact CD2-CD1 3.93Å; F104-L137 HydrophobicContact CE2-CD1 4.26Å; Y114-L137 HydrophobicContact CD2-CB 4.21Å; Y114-L137 HydrophobicContact CD2-CD2 3.85Å; Y114-L137 HydrophobicContact CE2-CB 4.49Å; Y114-L137 HydrophobicContact CE2-CD2 4.01Å; Q133-L137 WeakPolarHBondContact O-CB 3.43Å; Q133-L137 PolarHBondContact O-N 3.36Å; Y134-L137 PolarHBondContact O-N 3.19Å; Y134-L137 VanDerWaalsContact O-N 3.14Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 3.1Å; L137-C140 WeakPolarHBondContact O-CB 3.23Å; L137-C140 PolarHBondContact O-N 3.31Å; L137-L141 PolarHBondContact O-N 2.67Å; L137-L141 VanDerWaalsContact O-N 3.14Å
138Q97.2Very high95.3Very high70 Ų7061.7 Ų61.733%0.32730%0.301SS..Hα-helixtrans-57.6-47.1171.8-70.1-58.6-39.300111Y134 C140 L141 E142Y134-Q138 HydrophobicContact CD1-CG 4.25Å; Y134-Q138 HydrophobicContact CD2-CG 4.48Å; Y134-Q138 HydrophobicContact CE1-CG 3.84Å; Y134-Q138 HydrophobicContact CE2-CG 4.13Å; Y134-Q138 WeakPolarHBondContact O-CG 3.38Å; Y134-Q138 PolarHBondContact O-N 3.14Å; Q138-C140 VanDerWaalsContact C-N 3.29Å; Q138-C140 PolarHBondContact O-N 3.16Å; Q138-L141 PolarHBondContact O-N 3.47Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.43Å
139K97.7Very high94.7Very high77 Ų7763.8 Ų63.834%0.33532%0.316SS..Hα-helixtrans-60.1-37176.3-160.376.1-156.4157.20112.9V82 I124 C135 R136 L137 L141 E142 V143V82-K139 HydrophobicContact CG1-CB 4.29Å; V82-K139 HydrophobicContact CG1-CG 4.29Å; I124-K139 HydrophobicContact CG1-CB 4.29Å; C135-K139 VanDerWaalsContact O-CB 3.28Å; C135-K139 WeakPolarHBondContact O-CB 3.38Å; C135-K139 PolarHBondContact O-N 2.94Å; R136-K139 PolarHBondContact O-N 3.36Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 3.1Å; K139-L141 VanDerWaalsContact C-N 3.35Å; K139-E142 WeakPolarHBondContact CD-OE2 3.2Å; K139-E142 IonicContact NZ-OE2 2.84Å; K139-E142 PolarHBondContact NZ-OE2 2.88Å; K139-V143 WeakPolarHBondContact O-CG1 3.39Å; K139-V143 WeakPolarHBondContact O-CG2 3.43Å; K139-V143 PolarHBondContact O-N 2.93Å; K139-V143 VanDerWaalsContact O-N 3.13Å
140C97.6Very high94.2Very high0 Ų062.5 Ų62.50%031%0.313CS..Hα-helixtrans-60.4-43.8173.8-68.80000112.1V82 F104 R136 L137 Q138 V143 M145V82-C140 HydrophobicContact CG2-CB 4.48Å; F104-C140 HydrophobicContact CD2-CB 3.46Å; F104-C140 VanDerWaalsContact CD2-CB 3.46Å; F104-C140 HydrophobicContact CE2-CB 3.94Å; F104-C140 HydrophobicContact CG-CB 4.38Å; R136-C140 PolarHBondContact O-N 3.33Å; R136-C140 PolarHBondContact O-SG 3.19Å; L137-C140 WeakPolarHBondContact O-CB 3.23Å; L137-C140 PolarHBondContact O-N 3.31Å; Q138-C140 VanDerWaalsContact C-N 3.29Å; Q138-C140 PolarHBondContact O-N 3.16Å; C140-V143 WeakPolarHBondContact O-CG2 3.21Å; C140-M145 HydrophobicContact CB-CB 4.32Å; C140-M145 HydrophobicContact CB-CG 4.21Å; C140-M145 HydrophobicContact CB-SD 3.65Å; C140-M145 WeakPolarHBondContact O-CB 3.25Å; C140-M145 WeakPolarHBondContact O-CG 3.34Å; C140-M145 PolarHBondContact O-N 2.88Å
141L95.7Very high93.4Very high73 Ų7366.3 Ų66.338%0.38232%0.318SS..Hα-helixtrans-69.5-44.3178.7-64.2170000111.5F104 L137 Q138 K139 V143 G144F104-L141 HydrophobicContact CE2-CD2 3.74Å; F104-L141 HydrophobicContact CE2-CG 4.3Å; F104-L141 HydrophobicContact CZ-CD2 4.08Å; L137-L141 PolarHBondContact O-N 2.67Å; L137-L141 VanDerWaalsContact O-N 3.14Å; Q138-L141 PolarHBondContact O-N 3.47Å; K139-L141 VanDerWaalsContact C-N 3.35Å; L141-V143 VanDerWaalsContact C-N 3.3Å; L141-V143 PolarHBondContact O-N 3.17Å; L141-G144 WeakPolarHBondContact O-CA 3.41Å; L141-G144 PolarHBondContact O-N 2.89Å
142E95.6Very high91.6Very high125 Ų12563.2 Ų63.258%0.58432%0.316SS*.Hα-helixtrans-57.6-39.5178.1-76171.4-157.600113Q138 K139 G144Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.43Å; K139-E142 WeakPolarHBondContact CD-OE2 3.2Å; K139-E142 IonicContact NZ-OE2 2.84Å; K139-E142 PolarHBondContact NZ-OE2 2.88Å; E142-G144 PolarHBondContact O-N 3.49Å
143V95.3Very high89.4Confident37 Ų3768.5 Ų68.522%0.22434%0.343CS..THydrogen-bonded Turntrans-78.8-4.1178.2-57.30000113F81 V82 V94 K139 C140 L141 M145F81-V143 HydrophobicContact CB-CB 4.11Å; F81-V143 HydrophobicContact CB-CG1 4.13Å; F81-V143 HydrophobicContact CB-CG2 4.37Å; V82-V143 HydrophobicContact CG2-CG2 3.65Å; V94-V143 HydrophobicContact CG1-CG2 4.5Å; V94-V143 WeakPolarHBondContact CG1-O 3.36Å; V94-V143 HydrophobicContact CG2-CG2 4.24Å; K139-V143 WeakPolarHBondContact O-CG1 3.39Å; K139-V143 WeakPolarHBondContact O-CG2 3.43Å; K139-V143 PolarHBondContact O-N 2.93Å; K139-V143 VanDerWaalsContact O-N 3.13Å; C140-V143 WeakPolarHBondContact O-CG2 3.21Å; L141-V143 VanDerWaalsContact C-N 3.3Å; L141-V143 PolarHBondContact O-N 3.17Å; V143-M145 HydrophobicContact CG2-CG 4.49Å
144G93.2Very high87.2Confident43 Ų4375 Ų7544%0.44336%0.363SS..THydrogen-bonded Turntrans97.523.8175.200000115.6V94 L141 E142 S146V94-G144 VanDerWaalsContact CG1-C 3.41Å; V94-G144 WeakPolarHBondContact CG1-O 3.43Å; L141-G144 WeakPolarHBondContact O-CA 3.41Å; L141-G144 PolarHBondContact O-N 2.89Å; E142-G144 PolarHBondContact O-N 3.49Å; G144-S146 PolarHBondContact O-N 3.44Å
145M97Very high84.6Confident5 Ų580.4 Ų80.43%0.02540%0.396CS..  trans-65116.2169.9-71.1-169.2167.800110.2V82 Y92 V94 A96 C100 F104 C140 V143 K147V82-M145 HydrophobicContact CG2-CE 3.83Å; V82-M145 HydrophobicContact CG2-SD 4.41Å; Y92-M145 CarbonylContact O-C 3.52Å; Y92-M145 WeakPolarHBondContact O-CA 3.18Å; V94-M145 HydrophobicContact CG2-CE 3.54Å; V94-M145 HydrophobicContact CG2-CG 3.37Å; V94-M145 HydrophobicContact CG2-SD 4.36Å; A96-M145 HydrophobicContact CB-CE 3.32Å; C100-M145 HydrophobicContact CB-CE 4.36Å; F104-M145 HydrophobicContact CB-SD 3.74Å; F104-M145 HydrophobicContact CD1-CB 4.05Å; F104-M145 HydrophobicContact CD1-SD 4.12Å; F104-M145 HydrophobicContact CD2-CB 3.96Å; F104-M145 HydrophobicContact CD2-SD 3.9Å; F104-M145 HydrophobicContact CE1-CB 3.73Å; F104-M145 HydrophobicContact CE2-CB 3.62Å; F104-M145 HydrophobicContact CG-CB 4.15Å; F104-M145 HydrophobicContact CG-SD 3.65Å; F104-M145 HydrophobicContact CZ-CB 3.5Å; F104-M145 VanDerWaalsContact CZ-O 3.23Å; F104-M145 WeakPolarHBondContact CZ-O 3.27Å; C140-M145 HydrophobicContact CB-CB 4.32Å; C140-M145 HydrophobicContact CB-CG 4.21Å; C140-M145 HydrophobicContact CB-SD 3.65Å; C140-M145 WeakPolarHBondContact O-CB 3.25Å; C140-M145 WeakPolarHBondContact O-CG 3.34Å; C140-M145 PolarHBondContact O-N 2.88Å; V143-M145 HydrophobicContact CG2-CG 4.49Å; M145-K147 PolarHBondContact O-N 3.43Å
146S91.8Very high82.2Confident32 Ų3289.8 Ų89.822%0.22444%0.435CS..  trans-74.2119.3-179.6162.40000111.2Y92 F104 G144 E148 S149Y92-S146 PolarHBondContact O-N 3.28Å; F104-S146 WeakPolarHBondContact CE1-O 3.27Å; G144-S146 PolarHBondContact O-N 3.44Å; S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 PolarHBondContact O-N 3.42Å; S146-E148 PolarHBondContact OG-N 3.13Å; S146-E148 PolarHBondContact OG-OE2 3.21Å; S146-S149 WeakPolarHBondContact CB-OG 3.32Å; S146-S149 PolarHBondContact O-N 3.44Å; S146-S149 PolarHBondContact OG-N 3.24Å; S146-S149 PolarHBondContact OG-OG 2.74Å
147K88.4Confident79.6Confident101 Ų10198.7 Ų98.744%0.43948%0.475SS..SBendtrans-63.7-35.9175-176.6178.6178.7-176.10111.1I108 M145 S149 V150I108-K147 HydrophobicContact CB-CG 4.39Å; I108-K147 HydrophobicContact CD1-CB 4.44Å; I108-K147 HydrophobicContact CD1-CD 4.13Å; I108-K147 HydrophobicContact CD1-CG 3.81Å; I108-K147 HydrophobicContact CG1-CG 4.02Å; I108-K147 HydrophobicContact CG2-CD 4.38Å; I108-K147 HydrophobicContact CG2-CG 3.49Å; I108-K147 VanDerWaalsContact CG2-CG 3.49Å; M145-K147 PolarHBondContact O-N 3.43Å; K147-S149 PolarHBondContact O-N 3.24Å; K147-V150 WeakPolarHBondContact O-CB 3.5Å; K147-V150 PolarHBondContact O-N 3.08Å
148E83.5Confident76.9Confident154 Ų154107.9 Ų107.972%0.7251%0.514SS*.THydrogen-bonded Turntrans-67.9-26.2-177.5-51.669-142.900111.7S146 V150S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 PolarHBondContact O-N 3.42Å; S146-E148 PolarHBondContact OG-N 3.13Å; S146-E148 PolarHBondContact OG-OE2 3.21Å; E148-V150 PolarHBondContact O-N 2.7Å
149S84.9Confident74.2Confident62 Ų62113.9 Ų113.943%0.43454%0.539SS..THydrogen-bonded Turntrans-74.6-7.7177-62.80000113.5S146 K147 R151S146-S149 WeakPolarHBondContact CB-OG 3.32Å; S146-S149 PolarHBondContact O-N 3.44Å; S146-S149 PolarHBondContact OG-N 3.24Å; S146-S149 PolarHBondContact OG-OG 2.74Å; K147-S149 PolarHBondContact O-N 3.24Å; S149-R151 PolarHBondContact O-N 3.1Å
150V84.7Confident71.9Confident17 Ų17118 Ų11810%0.10356%0.564CS.*  trans-88.994.5178.9-1760000109.8Y92 F104 R105 I108 Q109 K147 E148Y92-V150 HydrophobicContact CD1-CG2 3.71Å; Y92-V150 HydrophobicContact CE1-CB 4.34Å; Y92-V150 HydrophobicContact CE1-CG2 3.62Å; Y92-V150 HydrophobicContact CG-CG2 4.31Å; F104-V150 HydrophobicContact CD1-CG2 3.89Å; F104-V150 HydrophobicContact CE1-CG2 3.72Å; R105-V150 HydrophobicContact CG-CG1 3.99Å; I108-V150 HydrophobicContact CB-CB 4.22Å; I108-V150 HydrophobicContact CB-CG1 4.18Å; I108-V150 HydrophobicContact CB-CG2 4.07Å; I108-V150 HydrophobicContact CG1-CG2 4.25Å; I108-V150 HydrophobicContact CG2-CB 3.81Å; I108-V150 HydrophobicContact CG2-CG1 4.07Å; I108-V150 HydrophobicContact CG2-CG2 4.06Å; Q109-V150 HydrophobicContact CG-CG1 3.54Å; K147-V150 WeakPolarHBondContact O-CB 3.5Å; K147-V150 PolarHBondContact O-N 3.08Å; E148-V150 PolarHBondContact O-N 2.7Å
151R79.1Confident69.2Low200 Ų200126.9 Ų126.976%0.75561%0.606SS**  trans-69.2139.4175.7-61.3-177.3-179.11550.6111.6Q109 S149 D153Q109-R151 PolarHBondContact NE2-O 2.95Å; S149-R151 PolarHBondContact O-N 3.1Å; R151-D153 WeakPolarHBondContact CB-OD2 3.43Å
152N59.5Low66.6Low120 Ų120133.1 Ų133.164%0.64263%0.63SS**  trans-103.260.5179.9-139.320.8000110.2Q109 R154Q109-N152 WeakPolarHBondContact CB-OD1 3.39Å; Q109-N152 WeakPolarHBondContact CG-OD1 3.4Å; N152-R154 PolarHBondContact O-N 3.31Å
153D50Low64.1Low125 Ų125137.7 Ų137.767%0.66865%0.648SS**  trans-95.996.4-171.4-72.6-41.9000112.7R151R151-D153 WeakPolarHBondContact CB-OD2 3.43Å
154R50.5Low61.5Low241 Ų241143.4 Ų143.491%0.90967%0.672SS**  trans-145.680.4140.2-91.6-169.8174.4-178.2-3.2108.4N152N152-R154 PolarHBondContact O-N 3.31Å
155N41.8Very low59Low168 Ų168149.1 Ų149.190%0.89869%0.687SS**SBendtrans-160.6133.3138.6-95.5-11.9000110.4
156K47.3Very low56.1Low205 Ų205154.6 Ų154.689%0.89173%0.725SS**  trans-89.2119.4-165-148.7178.4-173.7-177.90109.3
157K42.5Very low53.7Low199 Ų199157.6 Ų157.687%0.86574%0.742SS**  trans38.7105.6154.3-72.1-177171.3-176.20118.5
158K40.8Very low51.8Low212 Ų212157 Ų15792%0.92274%0.74SS**  -119.3128.4129.9-119.1179.1-179-179.40107.8
159K42Very low50Low196 Ų196153.3 Ų153.385%0.85273%0.732SS**  trans-1.2134170.4-149.2169.9176.1-177.10118.4E161K159-E161 PolarHBondContact O-N 3.01Å
160D47.7Very low49Very low163 Ų163153.6 Ų153.687%0.87272%0.724SS**  trans-36.8113.2172.8-79.8-66.9000114.3
161E42.3Very low48.2Very low187 Ų187158.2 Ų158.287%0.87475%0.752SS**  trans-124.5135148.6-72.8-174.916400107.6K159K159-E161 PolarHBondContact O-N 3.01Å
162K39.8Very low48Very low204 Ų204149.2 Ų149.289%0.88772%0.719SS**  trans-45.6146.3-172.2-74.5168.8172.3172.70111.9Q164K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.44Å
163K44.2Very low49.3Very low220 Ų220145.8 Ų145.896%0.95770%0.704SS**  trans-44.696.2162.7-92.1179.5166.2-175.50110
164Q39.4Very low51.2Low158 Ų158144.8 Ų144.874%0.73870%0.704SS**  trans-89.8106.5158.9-165.6153.1-11.700104.6K162 C166K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.44Å; Q164-C166 PolarHBondContact O-N 3.25Å; Q164-C166 VanDerWaalsContact O-N 3.1Å
165E41Very low53.1Low163 Ų163139 Ų13976%0.76269%0.692SS**  trans-38.4118.4152.1-157.9168.9-154.200106.2T167E165-T167 PolarHBondContact O-N 2.59Å
166C36.1Very low55.4Low119 Ų119132.4 Ų132.480%0.80466%0.658SS**  trans-73.362.3178.2-168.70000108.6Q164 E168Q164-C166 PolarHBondContact O-N 3.25Å; Q164-C166 VanDerWaalsContact O-N 3.1Å; C166-E168 PolarHBondContact O-N 3.32Å; C166-E168 VanDerWaalsContact O-N 3.08Å
167T41.7Very low57.5Low96 Ų96126.3 Ų126.359%0.58963%0.632SS**  trans-62.188.5138.3-34.10000103.5E165 S169E165-T167 PolarHBondContact O-N 2.59Å; T167-S169 PolarHBondContact O-N 2.94Å
168E48.6Very low60Low87 Ų87121.5 Ų121.541%0.40761%0.613SS.*  trans-52.398.8162-167.3179.5-156.500103.8C166 Y170 R356C166-E168 PolarHBondContact O-N 3.32Å; C166-E168 VanDerWaalsContact O-N 3.08Å; E168-Y170 VanDerWaalsContact C-N 3.31Å; E168-Y170 HydrophobicContact CB-CE1 4.04Å; E168-Y170 HydrophobicContact CG-CD1 4.47Å; E168-Y170 HydrophobicContact CG-CE1 3.78Å; E168-Y170 WeakPolarHBondContact O-CD2 3.38Å; E168-Y170 WeakPolarHBondContact O-CE2 3.16Å; E168-Y170 PolarHBondContact O-N 3.15Å; E168-Y170 WeakPolarHBondContact OE2-CE1 3.36Å; E168-Y170 PolarHBondContact OE2-OH 2.84Å; E168-R356 IonicContact OE1-NH1 3.49Å; E168-R356 IonicContact OE2-CZ 2.73Å; E168-R356 IonicContact OE2-NH1 3.17Å; E168-R356 PolarHBondContact OE2-NH1 2.74Å
169S47Very low62.7Low78 Ų78113.4 Ų113.455%0.54558%0.579SS.*  trans-69.9101.6-174.170.10000104.5T167 V171T167-S169 PolarHBondContact O-N 2.94Å; S169-V171 PolarHBondContact O-N 3.1Å
170Y63.5Low65.3Low67 Ų67104.2 Ų104.226%0.26354%0.539SS..  trans-68.950.5171.7-58.7-59.5000109.7E168 L172 I353 R356E168-Y170 VanDerWaalsContact C-N 3.31Å; E168-Y170 HydrophobicContact CB-CE1 4.04Å; E168-Y170 HydrophobicContact CG-CD1 4.47Å; E168-Y170 HydrophobicContact CG-CE1 3.78Å; E168-Y170 WeakPolarHBondContact O-CD2 3.38Å; E168-Y170 WeakPolarHBondContact O-CE2 3.16Å; E168-Y170 PolarHBondContact O-N 3.15Å; E168-Y170 WeakPolarHBondContact OE2-CE1 3.36Å; E168-Y170 PolarHBondContact OE2-OH 2.84Å; Y170-L172 PolarHBondContact O-N 3.11Å; Y170-L172 VanDerWaalsContact O-N 3.12Å; Y170-I353 HydrophobicContact CD1-CG2 4.35Å; Y170-R356 HydrophobicContact CD1-CB 4.14Å; Y170-R356 HydrophobicContact CD2-CB 3.86Å; Y170-R356 HydrophobicContact CE1-CB 4.03Å; Y170-R356 HydrophobicContact CE1-CG 4.39Å; Y170-R356 HydrophobicContact CE2-CB 3.7Å; Y170-R356 HydrophobicContact CE2-CG 4.47Å; Y170-R356 HydrophobicContact CG-CB 4.1Å; Y170-R356 WeakPolarHBondContact OH-CD 3.47Å; Y170-R356 PolarHBondContact OH-NH1 2.75Å; Y170-R356 VanDerWaalsContact OH-NH1 3.15Å
171V67.2Low67.6Low115 Ų115100 Ų10070%0.69752%0.516SS*.  trans-72.2102.9169.7-177.70000104.1S169 S173S169-V171 PolarHBondContact O-N 3.1Å; V171-S173 PolarHBondContact O-N 3.25Å
172L74.8Confident70.3Confident11 Ų1197.3 Ų97.36%0.05850%0.498CS..  trans-60.6130.3170.9-71.8163.2000107.1Y170 T176 E177 I180 I353 K357Y170-L172 PolarHBondContact O-N 3.11Å; Y170-L172 VanDerWaalsContact O-N 3.12Å; L172-T176 HydrophobicContact CD2-CG2 3.66Å; L172-E177 HydrophobicContact CB-CB 4.4Å; L172-E177 HydrophobicContact CB-CG 3.54Å; L172-E177 WeakPolarHBondContact CB-OE1 3.31Å; L172-E177 HydrophobicContact CD1-CG 3.54Å; L172-E177 WeakPolarHBondContact CD1-OE1 3.38Å; L172-E177 HydrophobicContact CG-CG 4.08Å; L172-I180 HydrophobicContact CD1-CD1 4.17Å; L172-I180 HydrophobicContact CD2-CD1 3.66Å; L172-I353 HydrophobicContact CD2-CB 3.69Å; L172-I353 HydrophobicContact CD2-CD1 4.43Å; L172-I353 HydrophobicContact CD2-CG2 3.25Å; L172-I353 HydrophobicContact CG-CG2 3.67Å; L172-K357 HydrophobicContact CD1-CD 3.57Å; L172-K357 HydrophobicContact CG-CD 4.22Å
173S87.3Confident73.1Confident47 Ų4787.6 Ų87.633%0.32946%0.456SS..  trans-62.6150.7166.672.40000108.2V171 D175 T176 E177V171-S173 PolarHBondContact O-N 3.25Å; S173-D175 PolarHBondContact O-N 2.91Å; S173-D175 VanDerWaalsContact O-N 3.13Å; S173-T176 PolarHBondContact O-N 3.38Å; S173-T176 WeakPolarHBondContact OG-CB 3.32Å; S173-T176 PolarHBondContact OG-N 3.08Å; S173-T176 PolarHBondContact OG-OG1 2.85Å; S173-E177 PolarHBondContact O-N 3.37Å
174P89.4Confident75.7Confident104 Ų10481.1 Ų81.168%0.67543%0.426SS*.Hα-helixtrans-52.3-35.1174.7-27.235.3000112.4Q178P174-Q178 WeakPolarHBondContact O-CB 3.38Å; P174-Q178 PolarHBondContact O-N 2.79Å
175D89.8Confident78.4Confident121 Ų12179.6 Ų79.665%0.64742%0.416SS*.Hα-helixtrans-68.2-43.1178.1-59.8-27000112.2S173 Q178 M179S173-D175 PolarHBondContact O-N 2.91Å; S173-D175 VanDerWaalsContact O-N 3.13Å; D175-Q178 PolarHBondContact O-N 3.06Å; D175-M179 WeakPolarHBondContact O-CB 3.4Å; D175-M179 PolarHBondContact O-N 3.46Å
176T91.3Very high81.2Confident29 Ų2971.9 Ų71.918%0.17838%0.38CS..Hα-helixtrans-67.8-40.4176.1-55.60000111.2L172 S173 M179 I180 A350L172-T176 HydrophobicContact CD2-CG2 3.66Å; S173-T176 PolarHBondContact O-N 3.38Å; S173-T176 WeakPolarHBondContact OG-CB 3.32Å; S173-T176 PolarHBondContact OG-N 3.08Å; S173-T176 PolarHBondContact OG-OG1 2.85Å; T176-M179 PolarHBondContact O-N 2.92Å; T176-I180 HydrophobicContact CG2-CD1 4.02Å; T176-I180 WeakPolarHBondContact O-CD1 3.44Å; T176-I180 VanDerWaalsContact O-CG1 3.26Å; T176-I180 WeakPolarHBondContact O-CG1 3.5Å; T176-I180 PolarHBondContact O-N 3.3Å; T176-A350 HydrophobicContact CG2-CB 3.81Å
177E92.1Very high84.1Confident76 Ų7666.2 Ų66.236%0.35534%0.342SS..Hα-helixtrans-59.3-48173.9-101.9169.2-165.400111.4L172 S173 M179 I180 D181 K357L172-E177 HydrophobicContact CB-CB 4.4Å; L172-E177 HydrophobicContact CB-CG 3.54Å; L172-E177 WeakPolarHBondContact CB-OE1 3.31Å; L172-E177 HydrophobicContact CD1-CG 3.54Å; L172-E177 WeakPolarHBondContact CD1-OE1 3.38Å; L172-E177 HydrophobicContact CG-CG 4.08Å; S173-E177 PolarHBondContact O-N 3.37Å; E177-M179 VanDerWaalsContact C-N 3.31Å; E177-M179 PolarHBondContact O-N 3.12Å; E177-I180 PolarHBondContact O-N 2.95Å; E177-D181 PolarHBondContact O-N 3.45Å; E177-K357 IonicContact OE1-NZ 3.44Å; E177-K357 PolarHBondContact OE1-NZ 2.9Å
178Q95Very high86.8Confident99 Ų9964.8 Ų64.846%0.46333%0.329SS..Hα-helixtrans-61.6-39.2177-171.9-178.564.200112.1P174 D175 D181 R182P174-Q178 WeakPolarHBondContact O-CB 3.38Å; P174-Q178 PolarHBondContact O-N 2.79Å; D175-Q178 PolarHBondContact O-N 3.06Å; Q178-D181 PolarHBondContact O-N 3.23Å; Q178-R182 VanDerWaalsContact CD-NH2 3.28Å; Q178-R182 VanDerWaalsContact O-CG 3.31Å; Q178-R182 WeakPolarHBondContact O-CG 3.18Å; Q178-R182 PolarHBondContact O-N 3.35Å
179M96.5Very high89.1Confident41 Ų4165.2 Ų65.220%0.20233%0.334CS..Hα-helixtrans-62.2-48.2175.4-178.9-179.5-64.100111.8D175 T176 E177 D181 R182 V183 P239 P346 L347D175-M179 WeakPolarHBondContact O-CB 3.4Å; D175-M179 PolarHBondContact O-N 3.46Å; T176-M179 PolarHBondContact O-N 2.92Å; E177-M179 VanDerWaalsContact C-N 3.31Å; E177-M179 PolarHBondContact O-N 3.12Å; M179-D181 VanDerWaalsContact C-N 3.3Å; M179-D181 PolarHBondContact O-N 2.73Å; M179-R182 PolarHBondContact O-N 2.63Å; M179-V183 WeakPolarHBondContact O-CG2 3.25Å; M179-V183 PolarHBondContact O-N 3.32Å; M179-P239 HydrophobicContact CG-CG 4.33Å; M179-P346 HydrophobicContact CE-CB 3.84Å; M179-P346 HydrophobicContact CE-CG 4.25Å; M179-P346 HydrophobicContact SD-CB 3.96Å; M179-P346 HydrophobicContact SD-CG 4.49Å; M179-L347 HydrophobicContact CG-CD2 4.36Å; M179-L347 HydrophobicContact SD-CD2 4.01Å
180I97.1Very high91.5Very high4 Ų461.7 Ų61.72%0.02131%0.309CS..Hα-helixtrans-58.3-45.5177.5-67.1161.7000110.1L172 T176 E177 R182 V183 R184 A316 L320 A350 Y354L172-I180 HydrophobicContact CD1-CD1 4.17Å; L172-I180 HydrophobicContact CD2-CD1 3.66Å; T176-I180 HydrophobicContact CG2-CD1 4.02Å; T176-I180 WeakPolarHBondContact O-CD1 3.44Å; T176-I180 VanDerWaalsContact O-CG1 3.26Å; T176-I180 WeakPolarHBondContact O-CG1 3.5Å; T176-I180 PolarHBondContact O-N 3.3Å; E177-I180 PolarHBondContact O-N 2.95Å; I180-R182 PolarHBondContact O-N 3.32Å; I180-V183 PolarHBondContact O-N 2.99Å; I180-R184 VanDerWaalsContact O-CB 3.32Å; I180-R184 WeakPolarHBondContact O-CB 3.21Å; I180-R184 PolarHBondContact O-N 2.93Å; I180-A316 HydrophobicContact CG2-CB 4.19Å; I180-L320 HydrophobicContact CG1-CD1 4.27Å; I180-L320 HydrophobicContact CG2-CD1 4.44Å; I180-A350 HydrophobicContact CD1-CB 4.21Å; I180-A350 HydrophobicContact CG1-CB 3.8Å; I180-Y354 HydrophobicContact CD1-CD2 4.03Å; I180-Y354 HydrophobicContact CD1-CG 4.36Å; I180-Y354 HydrophobicContact CG2-CD2 3.91Å; I180-Y354 HydrophobicContact CG2-CE2 4.04Å; I180-Y354 HydrophobicContact CG2-CG 4.38Å
181D96.6Very high93.1Very high73 Ų7358.9 Ų58.939%0.3930%0.298SS..Hα-helixtrans-64.1-39.7179.3-79.6-25.7000112.5E177 Q178 M179 R184 K185E177-D181 PolarHBondContact O-N 3.45Å; Q178-D181 PolarHBondContact O-N 3.23Å; M179-D181 VanDerWaalsContact C-N 3.3Å; M179-D181 PolarHBondContact O-N 2.73Å; D181-R184 IonicContact OD1-CZ 2.78Å; D181-R184 IonicContact OD1-NE 3.64Å; D181-R184 IonicContact OD1-NH1 2.84Å; D181-R184 PolarHBondContact OD1-NH1 3.09Å; D181-R184 IonicContact OD1-NH2 2.8Å; D181-R184 PolarHBondContact OD1-NH2 2.86Å; D181-K185 VanDerWaalsContact O-CB 3.29Å; D181-K185 WeakPolarHBondContact O-CB 3.35Å; D181-K185 PolarHBondContact O-N 3.22Å
182R97.8Very high94.2Very high131 Ų13155.4 Ų55.449%0.49428%0.278SS..Hα-helixtrans-62.3-47.5174.3-75.6178.9-170.8177.77.6111.5Q178 M179 I180 K185 A186Q178-R182 VanDerWaalsContact CD-NH2 3.28Å; Q178-R182 VanDerWaalsContact O-CG 3.31Å; Q178-R182 WeakPolarHBondContact O-CG 3.18Å; Q178-R182 PolarHBondContact O-N 3.35Å; M179-R182 PolarHBondContact O-N 2.63Å; I180-R182 PolarHBondContact O-N 3.32Å; R182-K185 PolarHBondContact O-N 3.32Å; R182-A186 WeakPolarHBondContact O-CB 3.47Å; R182-A186 PolarHBondContact O-N 3.25Å
183V98.6Very high94.7Very high0 Ų056.1 Ų56.10%028%0.284CS..Hα-helixtrans-65.5-43.2179.2175.30000111.2M179 I180 K185 A186 H187 L238 G319 L320 A323 L347M179-V183 WeakPolarHBondContact O-CG2 3.25Å; M179-V183 PolarHBondContact O-N 3.32Å; I180-V183 PolarHBondContact O-N 2.99Å; V183-K185 PolarHBondContact O-N 3.26Å; V183-A186 PolarHBondContact O-N 2.93Å; V183-H187 WeakPolarHBondContact O-CB 2.97Å; V183-H187 PolarHBondContact O-N 3.42Å; V183-L238 HydrophobicContact CG1-CD2 4.18Å; V183-L238 HydrophobicContact CG2-CD2 3.95Å; V183-G319 VanDerWaalsContact CG1-C 3.42Å; V183-L320 HydrophobicContact CB-CD2 4.24Å; V183-L320 HydrophobicContact CG1-CD2 4.06Å; V183-L320 HydrophobicContact CG1-CG 4.16Å; V183-L320 HydrophobicContact CG2-CD2 4.28Å; V183-A323 HydrophobicContact CG1-CB 4.45Å; V183-L347 HydrophobicContact CG2-CD2 3.94Å
184R98.1Very high94.5Very high85 Ų8555.5 Ų55.532%0.32128%0.277SS..Hα-helixtrans-57.8-48.4174.7-177.9-172.666.3-156.5-12.9110.8I180 D181 H187 Q188 D315 A316I180-R184 VanDerWaalsContact O-CB 3.32Å; I180-R184 WeakPolarHBondContact O-CB 3.21Å; I180-R184 PolarHBondContact O-N 2.93Å; D181-R184 IonicContact OD1-CZ 2.78Å; D181-R184 IonicContact OD1-NE 3.64Å; D181-R184 IonicContact OD1-NH1 2.84Å; D181-R184 PolarHBondContact OD1-NH1 3.09Å; D181-R184 IonicContact OD1-NH2 2.8Å; D181-R184 PolarHBondContact OD1-NH2 2.86Å; R184-H187 WeakPolarHBondContact O-CB 3.4Å; R184-H187 PolarHBondContact O-N 3.49Å; R184-Q188 WeakPolarHBondContact O-CG 3.26Å; R184-Q188 PolarHBondContact O-N 3.03Å; R184-D315 HydrophobicContact CG-CB 4.26Å; R184-A316 HydrophobicContact CB-CB 4.05Å; R184-A316 HydrophobicContact CG-CB 4.06Å
185K97.8Very high94Very high125 Ų12556 Ų5654%0.54328%0.282SS..Hα-helixtrans-63.4-46.4179.6-176.2175.8178.6-177.40111.5D181 R182 V183 H187 Q188 D189D181-K185 VanDerWaalsContact O-CB 3.29Å; D181-K185 WeakPolarHBondContact O-CB 3.35Å; D181-K185 PolarHBondContact O-N 3.22Å; R182-K185 PolarHBondContact O-N 3.32Å; V183-K185 PolarHBondContact O-N 3.26Å; K185-H187 PolarHBondContact O-N 2.93Å; K185-Q188 PolarHBondContact O-N 3.34Å; K185-Q188 VanDerWaalsContact O-N 3.15Å; K185-D189 VanDerWaalsContact CE-OD2 3.27Å; K185-D189 WeakPolarHBondContact CE-OD2 3.34Å; K185-D189 WeakPolarHBondContact CG-OD2 3.46Å; K185-D189 WeakPolarHBondContact O-CB 3.23Å; K185-D189 VanDerWaalsContact O-CG 3.28Å; K185-D189 PolarHBondContact O-N 3.49Å
186A98.7Very high93.6Very high1 Ų156.4 Ų56.41%0.00828%0.28CS..Hα-helixtrans-57-40.4175.800000112.2R182 V183 T190 F234 Q237R182-A186 WeakPolarHBondContact O-CB 3.47Å; R182-A186 PolarHBondContact O-N 3.25Å; V183-A186 PolarHBondContact O-N 2.93Å; A186-T190 WeakPolarHBondContact O-CB 3.44Å; A186-T190 WeakPolarHBondContact O-CG2 3.5Å; A186-T190 PolarHBondContact O-N 2.82Å; A186-T190 PolarHBondContact O-OG1 2.93Å; A186-F234 HydrophobicContact CB-CD2 3.98Å; A186-F234 HydrophobicContact CB-CE2 4.22Å; A186-Q237 HydrophobicContact CB-CB 3.6Å
187H98.4Very high93.4Very high1 Ų156.3 Ų56.31%0.00528%0.278CS..Hα-helixtrans-63.8-50.6174.5-178.478.4000111.7V183 R184 K185 D189 T190 F191 F234V183-H187 WeakPolarHBondContact O-CB 2.97Å; V183-H187 PolarHBondContact O-N 3.42Å; R184-H187 WeakPolarHBondContact O-CB 3.4Å; R184-H187 PolarHBondContact O-N 3.49Å; K185-H187 PolarHBondContact O-N 2.93Å; H187-D189 PolarHBondContact O-N 3.46Å; H187-T190 PolarHBondContact O-N 3.45Å; H187-T190 PolarHBondContact O-OG1 3.1Å; H187-F191 AromaticContact NE2-CD1 3.97Å; H187-F191 WeakPolarHBondContact O-CA 3.33Å; H187-F191 WeakPolarHBondContact O-CB 3.07Å; H187-F191 PolarHBondContact O-N 2.89Å; H187-F234 HydrophobicContact CB-CD2 4.47Å; H187-F234 HydrophobicContact CB-CE2 4.07Å
188Q96.4Very high93.3Very high66 Ų6655.9 Ų55.931%0.30829%0.294SS..Hα-helixtrans-63.1-42.6-178.8-72.5175.3-26.100113R184 K185 T190 F191 D315R184-Q188 WeakPolarHBondContact O-CG 3.26Å; R184-Q188 PolarHBondContact O-N 3.03Å; K185-Q188 PolarHBondContact O-N 3.34Å; K185-Q188 VanDerWaalsContact O-N 3.15Å; Q188-T190 PolarHBondContact O-N 3.25Å; Q188-F191 CarbonylContact O-C 3.59Å; Q188-F191 PolarHBondContact O-N 2.63Å; Q188-D315 HydrophobicContact CG-CB 4.01Å; Q188-D315 PolarHBondContact NE2-OD2 2.76Å
189D97Very high93.2Very high95 Ų9556 Ų5651%0.50829%0.293SS..Hα-helixtrans-66.6-25.9-179.4-71-8.6000111.9K185 H187K185-D189 VanDerWaalsContact CE-OD2 3.27Å; K185-D189 WeakPolarHBondContact CE-OD2 3.34Å; K185-D189 WeakPolarHBondContact CG-OD2 3.46Å; K185-D189 WeakPolarHBondContact O-CB 3.23Å; K185-D189 VanDerWaalsContact O-CG 3.28Å; K185-D189 PolarHBondContact O-N 3.49Å; H187-D189 PolarHBondContact O-N 3.46Å
190T98.4Very high93.1Very high4 Ų458.7 Ų58.73%0.02530%0.302CS..Hα-helixtrans-106.3-9.6-178.562.90000113.7A186 H187 Q188 K230 E233 F234 R264A186-T190 WeakPolarHBondContact O-CB 3.44Å; A186-T190 WeakPolarHBondContact O-CG2 3.5Å; A186-T190 PolarHBondContact O-N 2.82Å; A186-T190 PolarHBondContact O-OG1 2.93Å; H187-T190 PolarHBondContact O-N 3.45Å; H187-T190 PolarHBondContact O-OG1 3.1Å; Q188-T190 PolarHBondContact O-N 3.25Å; T190-K230 WeakPolarHBondContact CB-O 3.49Å; T190-K230 WeakPolarHBondContact O-CB 3.31Å; T190-E233 HydrophobicContact CG2-CB 3.92Å; T190-F234 HydrophobicContact CG2-CB 4.15Å; T190-R264 PolarHBondContact OG1-NH2 2.94Å
191F97.3Very high92.9Very high8 Ų863.8 Ų63.84%0.03533%0.333CS..SBendtrans-152.791.5-179.4-165.3-107.6000109.9H187 Q188 R264 R268H187-F191 AromaticContact NE2-CD1 3.97Å; H187-F191 WeakPolarHBondContact O-CA 3.33Å; H187-F191 WeakPolarHBondContact O-CB 3.07Å; H187-F191 PolarHBondContact O-N 2.89Å; Q188-F191 CarbonylContact O-C 3.59Å; Q188-F191 PolarHBondContact O-N 2.63Å; F191-R264 HydrophobicContact CD1-CB 4.33Å; F191-R264 HydrophobicContact CD1-CG 4.03Å; F191-R264 HydrophobicContact CD2-CB 4.2Å; F191-R264 HydrophobicContact CD2-CG 4.1Å; F191-R264 HydrophobicContact CE1-CB 3.84Å; F191-R264 HydrophobicContact CE1-CG 4.03Å; F191-R264 WeakPolarHBondContact CE1-O 3.21Å; F191-R264 HydrophobicContact CE2-CB 3.71Å; F191-R264 HydrophobicContact CE2-CG 4.13Å; F191-R264 HydrophobicContact CG-CB 4.49Å; F191-R264 HydrophobicContact CG-CG 4.04Å; F191-R264 HydrophobicContact CZ-CB 3.5Å; F191-R264 VanDerWaalsContact CZ-CB 3.5Å; F191-R264 HydrophobicContact CZ-CG 4.08Å; F191-R264 WeakPolarHBondContact CZ-O 3.41Å; F191-R268 HydrophobicContact CE1-CG 3.91Å; F191-R268 VanDerWaalsContact CE1-CZ 3.43Å; F191-R268 VanDerWaalsContact CE1-NE 3.27Å; F191-R268 VanDerWaalsContact CE2-CZ 3.49Å; F191-R268 HydrophobicContact CZ-CG 3.59Å; F191-R268 VanDerWaalsContact CZ-NE 3.34Å
192P89.8Confident92.6Very high43 Ų4361.9 Ų61.928%0.27932%0.324SS..  trans-60.9149.5-176.824-34.3000111.6L197 R268P192-L197 HydrophobicContact CB-CD2 4.34Å; P192-L197 HydrophobicContact CG-CD2 3.88Å; P192-R268 VanDerWaalsContact O-CZ 3.24Å; P192-R268 PolarHBondContact O-NE 2.96Å; P192-R268 VanDerWaalsContact O-NE 3.15Å; P192-R268 PolarHBondContact O-NH2 2.95Å
193S84.7Confident92Very high26 Ų2661.7 Ų61.718%0.18234%0.337CS..  trans-72.1151.1-177.2-131.90000111C195 Q196 D315S193-C195 PolarHBondContact O-N 2.9Å; S193-C195 VanDerWaalsContact O-N 3.11Å; S193-Q196 WeakPolarHBondContact O-CB 3.3Å; S193-Q196 PolarHBondContact O-N 3.35Å; S193-D315 PolarHBondContact OG-OD1 2.93Å; S193-D315 VanDerWaalsContact OG-OD1 3.13Å; S193-D315 PolarHBondContact OG-OD2 2.62Å
194L84.3Confident91.3Very high34 Ų3464 Ų6418%0.17835%0.35CS..G310 helixtrans-55.8-34.9-173.9-179.962000113.3Q196 R268 T277L194-Q196 VanDerWaalsContact C-N 3.25Å; L194-Q196 PolarHBondContact O-N 3.44Å; L194-R268 HydrophobicContact CD1-CB 4.41Å; L194-T277 HydrophobicContact CD1-CG2 4.11Å
195C79.4Confident90.5Very high115 Ų11561.7 Ų61.778%0.77735%0.347SS*.G310 helixtrans-73.3-13-179.7600000114.1S193S193-C195 PolarHBondContact O-N 2.9Å; S193-C195 VanDerWaalsContact O-N 3.11Å
196Q80.8Confident89.8Confident129 Ų12957.4 Ų57.460%0.60333%0.333SS*.G310 helixtrans-93.9-6.6-178.6-62.4170.5-33.800112.6S193 L194S193-Q196 WeakPolarHBondContact O-CB 3.3Å; S193-Q196 PolarHBondContact O-N 3.35Å; L194-Q196 VanDerWaalsContact C-N 3.25Å; L194-Q196 PolarHBondContact O-N 3.44Å
197L86.9Confident89.3Confident26 Ų2666.1 Ų66.114%0.13637%0.373CS..SBendtrans-90.8132.9-174.7-66.4174.1000111.9P192 K199 T277 F278 S279P192-L197 HydrophobicContact CB-CD2 4.34Å; P192-L197 HydrophobicContact CG-CD2 3.88Å; L197-K199 PolarHBondContact O-N 2.94Å; L197-T277 HydrophobicContact CD1-CG2 4Å; L197-F278 WeakPolarHBondContact CD1-O 3.37Å; L197-S279 VanDerWaalsContact CD2-O 3.3Å; L197-S279 WeakPolarHBondContact CD2-O 3.49Å
198G89.2Confident89Confident67 Ų6775.9 Ų75.969%0.69141%0.41SS*.  trans-71.592.2165.900000110.2G281G198-G281 WeakPolarHBondContact O-CA 3.5Å
199K92.6Very high89Confident103 Ų10377 Ų7745%0.44841%0.412SS..  trans-71.6135.9-174.2-55.9-169.5-177.7-175.70111.8L197 T277 G281L197-K199 PolarHBondContact O-N 2.94Å; K199-T277 HydrophobicContact CG-CG2 4.27Å; K199-G281 WeakPolarHBondContact CA-O 3.22Å
200Y94.5Very high88.9Confident97 Ų9775.4 Ų75.438%0.3841%0.405SS..EExtended strand (participates in β ladder)trans-138.5155.417073-85.4000110.6D280 G281 L282 T283Y200-D280 WeakPolarHBondContact CE1-O 3.44Å; Y200-D280 PolarHBondContact OH-OD2 3.01Å; Y200-G281 PolarHBondContact N-O 3.36Å; Y200-L282 HydrophobicContact CD2-CD1 4.32Å; Y200-L282 HydrophobicContact CE1-CB 4.13Å; Y200-L282 VanDerWaalsContact CE1-N 3.29Å; Y200-L282 HydrophobicContact CE2-CB 4.29Å; Y200-L282 HydrophobicContact CE2-CD1 3.67Å; Y200-T283 PolarHBondContact O-N 2.98Å
201T93.3Very high88.6Confident111 Ų11179 Ų7968%0.68143%0.43SS*.EExtended strand (participates in β ladder)trans-116.6160-178.955.70000111
202T91.1Very high88.5Confident32 Ų3279.9 Ų79.920%0.19644%0.435CS..  trans-121.2147.9167.3-176.60000109.5N204 L216 L282 L284 Q288T202-N204 PolarHBondContact OG1-N 2.8Å; T202-L216 HydrophobicContact CG2-CD2 3.92Å; T202-L282 HydrophobicContact CG2-CD1 4.12Å; T202-L284 HydrophobicContact CG2-CD2 3.82Å; T202-Q288 PolarHBondContact O-NE2 3.18Å
203T85.3Confident88.9Confident127 Ų12778.6 Ų78.678%0.77943%0.426SS*.  trans-85.1-12.417748.50000112.9S205 S206T203-S205 PolarHBondContact O-N 3.35Å; T203-S206 PolarHBondContact O-OG 2.92Å
204N83.1Confident89.3Confident48 Ų4880.5 Ų80.526%0.25743%0.433SS..THydrogen-bonded Turntrans-59.4133.4-173.9-168.220.2000112.3T202 S206 D213 Q288T202-N204 PolarHBondContact OG1-N 2.8Å; N204-S206 PolarHBondContact O-N 3.22Å; N204-D213 PolarHBondContact ND2-OD1 2.95Å; N204-D213 PolarHBondContact ND2-OD2 3.34Å; N204-D213 PolarHBondContact OD1-OD2 3.08Å; N204-Q288 PolarHBondContact O-NE2 3.04Å
205S82.2Confident89.8Confident37 Ų3783.8 Ų83.826%0.25945%0.451SS..THydrogen-bonded Turntrans41.445176-69.90000115.4T203 D213 N291T203-S205 PolarHBondContact O-N 3.35Å; S205-D213 WeakPolarHBondContact CB-OD2 3.42Å; S205-D213 PolarHBondContact OG-OD2 3.4Å; S205-N291 PolarHBondContact O-ND2 3.47Å
206S83.3Confident90.6Very high36 Ų3678.5 Ų78.525%0.25242%0.415SS..  trans-89.3-22.4-172.353.80000115.2T203 N204 N285 T287T203-S206 PolarHBondContact O-OG 2.92Å; N204-S206 PolarHBondContact O-N 3.22Å; S206-N285 PolarHBondContact O-ND2 3.04Å; S206-T287 WeakPolarHBondContact O-CB 3.25Å
207E86.8Confident91.3Very high184 Ų18472.9 Ų72.986%0.8639%0.388SS*.SBendtrans-94.1-39.8-170.2-62.9-178.8177.800114
208R92.7Very high91.7Very high205 Ų20575.8 Ų75.877%0.77440%0.404SS*.SBendtrans-127141.1-175.3-172179.2177.6-176.4-0.1111.6T287 N291R208-T287 WeakPolarHBondContact O-CG2 3.17Å; R208-N291 PolarHBondContact O-ND2 2.97Å
209R96.3Very high92Very high91 Ų9177 Ų7734%0.34339%0.39SS..  trans-69.2128.4170.7-70.2-176.6-178.3-173.11.5110.4T287 H290 N291 D299R209-T287 HydrophobicContact CG-CG2 4.1Å; R209-H290 HydrophobicContact CG-CB 4.17Å; R209-N291 VanDerWaalsContact CA-OD1 3.3Å; R209-N291 WeakPolarHBondContact CA-OD1 3.43Å; R209-D299 IonicContact CZ-OD1 3.34Å; R209-D299 IonicContact CZ-OD2 4Å; R209-D299 IonicContact NH1-OD1 3.47Å; R209-D299 IonicContact NH1-OD2 3.51Å; R209-D299 PolarHBondContact NH1-OD2 3.3Å; R209-D299 IonicContact NH2-OD1 3.6Å; R209-D299 PolarHBondContact NH2-OD1 3.06Å; R209-D299 IonicContact NH2-OD2 2.69Å; R209-D299 PolarHBondContact NH2-OD2 2.87Å
210V94.9Very high92.2Very high61 Ų6173.5 Ų73.537%0.3738%0.375SS..  trans-119.7168.1170.2-62.50000109D213 H290 N291V210-D213 HydrophobicContact CG2-CB 4.45Å; V210-H290 PolarHBondContact O-CE1 3.45Å; V210-H290 PolarHBondContact O-ND1 3.03Å; V210-N291 HydrophobicContact CG2-CB 4.01Å; V210-N291 PolarHBondContact N-OD1 3.24Å; V210-N291 PolarHBondContact O-OD1 3.32Å
211S92.4Very high92.2Very high79 Ų7969.5 Ų69.555%0.55236%0.361SS*.SBendtrans-60.2-51-179.6-165.30000111.5E393S211-E393 PolarHBondContact OG-OE2 3.08Å
212L96Very high92.4Very high26 Ų2669.3 Ų69.314%0.13635%0.352CS..  trans-157135.9179.6-171.269.8000108.6I214 W217 L390 E393 I394L212-I214 HydrophobicContact CD2-CD1 3.91Å; L212-I214 HydrophobicContact CG-CD1 4.31Å; L212-W217 HydrophobicContact CD1-CB 4.1Å; L212-W217 HydrophobicContact CD1-CE3 4.41Å; L212-W217 HydrophobicContact CD1-CG 4.47Å; L212-W217 HydrophobicContact CG-CB 4.36Å; L212-L390 HydrophobicContact CD1-CD2 3.95Å; L212-E393 HydrophobicContact CD2-CB 4.17Å; L212-I394 HydrophobicContact CD2-CG2 3.75Å
213D96.3Very high92.7Very high16 Ų1668.7 Ų68.79%0.08635%0.348CS..  trans-103.1121.3167.3179.6-60.4000108.2N204 S205 V210 D215 L216 W217 N291N204-D213 PolarHBondContact ND2-OD1 2.95Å; N204-D213 PolarHBondContact ND2-OD2 3.34Å; N204-D213 PolarHBondContact OD1-OD2 3.08Å; S205-D213 WeakPolarHBondContact CB-OD2 3.42Å; S205-D213 PolarHBondContact OG-OD2 3.4Å; V210-D213 HydrophobicContact CG2-CB 4.45Å; D213-D215 PolarHBondContact OD1-N 3.06Å; D213-L216 HydrophobicContact CB-CB 4.05Å; D213-L216 HydrophobicContact CB-CD1 3.99Å; D213-L216 HydrophobicContact CB-CG 4.15Å; D213-L216 PolarHBondContact O-N 3.37Å; D213-L216 PolarHBondContact OD1-N 3.29Å; D213-W217 VanDerWaalsContact O-CB 3.27Å; D213-W217 WeakPolarHBondContact O-CB 3.36Å; D213-W217 PolarHBondContact O-N 3.22Å; D213-N291 HydrophobicContact CB-CB 4.08Å; D213-N291 PolarHBondContact N-O 3.08Å
214I94.6Very high93.3Very high67 Ų6763.4 Ų63.434%0.34432%0.316SS..Hα-helixtrans-68.4-40.4-171.6-56.1-52.7000111.8L212 L216 W217 D218 P395L212-I214 HydrophobicContact CD2-CD1 3.91Å; L212-I214 HydrophobicContact CG-CD1 4.31Å; I214-L216 PolarHBondContact O-N 3.31Å; I214-W217 WeakPolarHBondContact O-CB 3.3Å; I214-W217 PolarHBondContact O-N 3.1Å; I214-D218 WeakPolarHBondContact O-CB 3.3Å; I214-D218 VanDerWaalsContact O-CG 3.31Å; I214-D218 PolarHBondContact O-N 3.41Å; I214-P395 HydrophobicContact CD1-CG 3.7Å; I214-P395 HydrophobicContact CG1-CG 4.27Å
215D94.4Very high94Very high102 Ų10262.8 Ų62.855%0.54531%0.314SS..Hα-helixtrans-69-37-179.4-63.8-30.2000111.4D213 K219D213-D215 PolarHBondContact OD1-N 3.06Å; D215-K219 WeakPolarHBondContact O-CG 3.38Å; D215-K219 PolarHBondContact O-N 3.42Å
216L96Very high94.7Very high4 Ų466.2 Ų66.22%0.02132%0.324CS..Hα-helixtrans-70.1-40173.5-68.9-179.2000111.5T202 D213 I214 F220 L284 Q288 N291 A292T202-L216 HydrophobicContact CG2-CD2 3.92Å; D213-L216 HydrophobicContact CB-CB 4.05Å; D213-L216 HydrophobicContact CB-CD1 3.99Å; D213-L216 HydrophobicContact CB-CG 4.15Å; D213-L216 PolarHBondContact O-N 3.37Å; D213-L216 PolarHBondContact OD1-N 3.29Å; I214-L216 PolarHBondContact O-N 3.31Å; L216-F220 WeakPolarHBondContact O-CB 3.36Å; L216-F220 PolarHBondContact O-N 2.98Å; L216-L284 HydrophobicContact CD2-CD2 4.35Å; L216-Q288 HydrophobicContact CD1-CB 4.21Å; L216-Q288 HydrophobicContact CD1-CG 4.42Å; L216-N291 HydrophobicContact CD1-CB 4.18Å; L216-A292 HydrophobicContact CB-CB 3.98Å
217W96.1Very high95.4Very high12 Ų1265.4 Ų65.45%0.04532%0.318CS..Hα-helixtrans-60.3-46.1174.6166.8-102.2000111.8L212 D213 I214 K219 F220 S221 L390 I394 M398L212-W217 HydrophobicContact CD1-CB 4.1Å; L212-W217 HydrophobicContact CD1-CE3 4.41Å; L212-W217 HydrophobicContact CD1-CG 4.47Å; L212-W217 HydrophobicContact CG-CB 4.36Å; D213-W217 VanDerWaalsContact O-CB 3.27Å; D213-W217 WeakPolarHBondContact O-CB 3.36Å; D213-W217 PolarHBondContact O-N 3.22Å; I214-W217 WeakPolarHBondContact O-CB 3.3Å; I214-W217 PolarHBondContact O-N 3.1Å; W217-K219 PolarHBondContact O-N 3.28Å; W217-F220 AromaticContact CE3-CD1 3.89Å; W217-F220 HydrophobicContact CE3-CD1 3.89Å; W217-F220 HydrophobicContact CE3-CE1 4.48Å; W217-F220 AromaticContact CZ3-CD1 3.8Å; W217-F220 HydrophobicContact CZ3-CD1 3.8Å; W217-F220 AromaticContact CZ3-CE1 3.97Å; W217-F220 HydrophobicContact CZ3-CE1 3.97Å; W217-F220 PolarHBondContact O-N 3.25Å; W217-S221 VanDerWaalsContact O-CB 3.26Å; W217-S221 WeakPolarHBondContact O-CB 3.25Å; W217-S221 PolarHBondContact O-N 3.45Å; W217-S221 PolarHBondContact O-OG 3.38Å; W217-L390 HydrophobicContact CE3-CD2 4.41Å; W217-L390 HydrophobicContact CH2-CD1 4.26Å; W217-L390 HydrophobicContact CZ3-CD1 3.85Å; W217-L390 HydrophobicContact CZ3-CD2 4.2Å; W217-I394 HydrophobicContact CD2-CG2 3.96Å; W217-I394 VanDerWaalsContact CE2-CG2 3.48Å; W217-I394 HydrophobicContact CG-CG2 4.26Å; W217-I394 HydrophobicContact CZ2-CD1 4.42Å; W217-I394 HydrophobicContact CZ2-CG2 3.83Å; W217-M398 HydrophobicContact CH2-CE 4.08Å; W217-M398 HydrophobicContact CH2-SD 3.75Å; W217-M398 HydrophobicContact CZ2-CE 4.32Å; W217-M398 HydrophobicContact CZ2-SD 3.84Å
218D95.2Very high96Very high87 Ų8756.6 Ų56.647%0.46528%0.278SS..Hα-helixtrans-59.2-48.3-179.4-76.1-10.1000110.8I214 S221 E222I214-D218 WeakPolarHBondContact O-CB 3.3Å; I214-D218 VanDerWaalsContact O-CG 3.31Å; I214-D218 PolarHBondContact O-N 3.41Å; D218-S221 PolarHBondContact O-N 2.89Å; D218-S221 PolarHBondContact O-OG 3.22Å; D218-E222 PolarHBondContact O-N 3.47Å; D218-E222 VanDerWaalsContact O-N 3.1Å
219K94.9Very high96.3Very high91 Ų9150.6 Ų50.640%0.39626%0.26SS..Hα-helixtrans-62.1-46.1174.1-69179.8-177.6178.40112.4D215 W217 S221 E222 L223 L282D215-K219 WeakPolarHBondContact O-CG 3.38Å; D215-K219 PolarHBondContact O-N 3.42Å; W217-K219 PolarHBondContact O-N 3.28Å; K219-S221 VanDerWaalsContact C-N 3.35Å; K219-S221 PolarHBondContact O-N 3.35Å; K219-E222 PolarHBondContact O-N 3.35Å; K219-L223 WeakPolarHBondContact O-CB 3.48Å; K219-L223 VanDerWaalsContact O-CG 3.23Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 3.08Å; K219-L282 HydrophobicContact CB-CD2 4.42Å; K219-L282 HydrophobicContact CD-CD2 4.48Å
220F95.8Very high96.4Very high31 Ų3150.1 Ų50.114%0.13626%0.26CS..Hα-helixtrans-61.6-43.3-179.1168.9-101.3000111.9L216 W217 L223 S224 F278 A292 F294L216-F220 WeakPolarHBondContact O-CB 3.36Å; L216-F220 PolarHBondContact O-N 2.98Å; W217-F220 AromaticContact CE3-CD1 3.89Å; W217-F220 HydrophobicContact CE3-CD1 3.89Å; W217-F220 HydrophobicContact CE3-CE1 4.48Å; W217-F220 AromaticContact CZ3-CD1 3.8Å; W217-F220 HydrophobicContact CZ3-CD1 3.8Å; W217-F220 AromaticContact CZ3-CE1 3.97Å; W217-F220 HydrophobicContact CZ3-CE1 3.97Å; W217-F220 PolarHBondContact O-N 3.25Å; F220-L223 PolarHBondContact O-N 2.91Å; F220-S224 VanDerWaalsContact CE2-OG 3.32Å; F220-S224 WeakPolarHBondContact CE2-OG 3.44Å; F220-S224 VanDerWaalsContact CZ-OG 3.24Å; F220-S224 WeakPolarHBondContact CZ-OG 3.5Å; F220-S224 VanDerWaalsContact O-CB 3.25Å; F220-S224 WeakPolarHBondContact O-CB 3.42Å; F220-S224 PolarHBondContact O-N 2.9Å; F220-S224 PolarHBondContact O-OG 3.29Å; F220-F278 AromaticContact CD2-CE1 3.7Å; F220-F278 HydrophobicContact CD2-CE1 3.7Å; F220-F278 AromaticContact CD2-CZ 3.8Å; F220-F278 HydrophobicContact CD2-CZ 3.8Å; F220-F278 AromaticContact CE2-CE1 3.88Å; F220-F278 HydrophobicContact CE2-CE1 3.88Å; F220-F278 HydrophobicContact CE2-CZ 4.17Å; F220-A292 HydrophobicContact CB-CB 4.18Å; F220-A292 WeakPolarHBondContact CD1-O 3.38Å; F220-A292 HydrophobicContact CG-CB 4.48Å; F220-F294 HydrophobicContact CD2-CE2 4.12Å; F220-F294 HydrophobicContact CE2-CD2 4.29Å; F220-F294 AromaticContact CE2-CE2 3.39Å; F220-F294 HydrophobicContact CE2-CE2 3.39Å; F220-F294 HydrophobicContact CE2-CZ 4.06Å; F220-F294 HydrophobicContact CZ-CD2 4.4Å; F220-F294 AromaticContact CZ-CE2 3.75Å; F220-F294 HydrophobicContact CZ-CE2 3.75Å; F220-F294 HydrophobicContact CZ-CZ 4.36Å
221S96.2Very high96.5Very high13 Ų1347.3 Ų47.39%0.09124%0.243CC..Hα-helixtrans-69.4-37.1-178.275.60000111.7W217 D218 K219 S224 T225W217-S221 VanDerWaalsContact O-CB 3.26Å; W217-S221 WeakPolarHBondContact O-CB 3.25Å; W217-S221 PolarHBondContact O-N 3.45Å; W217-S221 PolarHBondContact O-OG 3.38Å; D218-S221 PolarHBondContact O-N 2.89Å; D218-S221 PolarHBondContact O-OG 3.22Å; K219-S221 VanDerWaalsContact C-N 3.35Å; K219-S221 PolarHBondContact O-N 3.35Å; S221-S224 PolarHBondContact O-N 3.33Å; S221-T225 WeakPolarHBondContact O-CB 3.43Å; S221-T225 PolarHBondContact O-N 3.3Å; S221-T225 PolarHBondContact O-OG1 3.05Å
222E96.9Very high96.8Very high106 Ų10645.3 Ų45.350%0.49523%0.227SC..Hα-helixtrans-62.5-49171.4-171-166.8149.800111.4D218 K219 S224 T225 K226D218-E222 PolarHBondContact O-N 3.47Å; D218-E222 VanDerWaalsContact O-N 3.1Å; K219-E222 PolarHBondContact O-N 3.35Å; E222-S224 VanDerWaalsContact C-N 3.34Å; E222-S224 PolarHBondContact O-N 3.31Å; E222-T225 PolarHBondContact O-N 2.93Å; E222-K226 WeakPolarHBondContact O-CG 3.44Å; E222-K226 PolarHBondContact O-N 2.78Å; E222-K226 WeakPolarHBondContact OE1-CE 3.31Å; E222-K226 IonicContact OE1-NZ 3.71Å; E222-K226 PolarHBondContact OE1-NZ 2.93Å
223L97.1Very high97Very high19 Ų1947.1 Ų47.110%0.09924%0.235CC..Hα-helixtrans-65-37.4179.1-69.6170000112.2K219 F220 K226 C227 F278 D280 L282K219-L223 WeakPolarHBondContact O-CB 3.48Å; K219-L223 VanDerWaalsContact O-CG 3.23Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 3.08Å; F220-L223 PolarHBondContact O-N 2.91Å; L223-K226 PolarHBondContact O-N 2.84Å; L223-C227 WeakPolarHBondContact O-CB 3.47Å; L223-C227 PolarHBondContact O-N 3.01Å; L223-F278 HydrophobicContact CB-CD1 4.48Å; L223-F278 HydrophobicContact CD1-CB 3.85Å; L223-F278 HydrophobicContact CD1-CD1 4.36Å; L223-F278 HydrophobicContact CD1-CG 4.04Å; L223-D280 HydrophobicContact CD2-CB 3.74Å; L223-D280 VanDerWaalsContact CD2-CG 3.49Å; L223-L282 HydrophobicContact CD1-CB 4.42Å; L223-L282 HydrophobicContact CD1-CD2 4Å
224S97.1Very high97.1Very high16 Ų1646.4 Ų46.411%0.11223%0.231CC..Hα-helixtrans-65.4-45.2175.8-64.80000111.2F220 S221 E222 K226 C227 I228F220-S224 VanDerWaalsContact CE2-OG 3.32Å; F220-S224 WeakPolarHBondContact CE2-OG 3.44Å; F220-S224 VanDerWaalsContact CZ-OG 3.24Å; F220-S224 WeakPolarHBondContact CZ-OG 3.5Å; F220-S224 VanDerWaalsContact O-CB 3.25Å; F220-S224 WeakPolarHBondContact O-CB 3.42Å; F220-S224 PolarHBondContact O-N 2.9Å; F220-S224 PolarHBondContact O-OG 3.29Å; S221-S224 PolarHBondContact O-N 3.33Å; E222-S224 VanDerWaalsContact C-N 3.34Å; E222-S224 PolarHBondContact O-N 3.31Å; S224-K226 VanDerWaalsContact C-N 3.33Å; S224-K226 PolarHBondContact O-N 2.95Å; S224-C227 CarbonylContact O-C 3.59Å; S224-C227 WeakPolarHBondContact O-CB 3.29Å; S224-C227 PolarHBondContact O-N 2.95Å; S224-I228 WeakPolarHBondContact O-CG1 3.43Å; S224-I228 PolarHBondContact O-N 3.45Å
225T98Very high97.3Very high35 Ų3543.2 Ų43.222%0.21522%0.215CC..Hα-helixtrans-56.3-47.4174.5-59.60000111S221 E222 C227 I228 I229 L401S221-T225 WeakPolarHBondContact O-CB 3.43Å; S221-T225 PolarHBondContact O-N 3.3Å; S221-T225 PolarHBondContact O-OG1 3.05Å; E222-T225 PolarHBondContact O-N 2.93Å; T225-C227 VanDerWaalsContact C-N 3.33Å; T225-C227 PolarHBondContact O-N 3.13Å; T225-I228 PolarHBondContact O-N 3.28Å; T225-I229 HydrophobicContact CG2-CD1 4.49Å; T225-I229 WeakPolarHBondContact O-CG1 3.17Å; T225-I229 PolarHBondContact O-N 3.28Å; T225-I229 VanDerWaalsContact O-N 3.14Å; T225-L401 HydrophobicContact CG2-CB 4.28Å; T225-L401 HydrophobicContact CG2-CD2 3.97Å
226K97.9Very high97.5Very high109 Ų10944.3 Ų44.347%0.47422%0.215SC..Hα-helixtrans-60-41.6174.7-71.2169.7174.2170.20112.1E222 L223 S224 I229 K230E222-K226 WeakPolarHBondContact O-CG 3.44Å; E222-K226 PolarHBondContact O-N 2.78Å; E222-K226 WeakPolarHBondContact OE1-CE 3.31Å; E222-K226 IonicContact OE1-NZ 3.71Å; E222-K226 PolarHBondContact OE1-NZ 2.93Å; L223-K226 PolarHBondContact O-N 2.84Å; S224-K226 VanDerWaalsContact C-N 3.33Å; S224-K226 PolarHBondContact O-N 2.95Å; K226-I229 PolarHBondContact O-N 3.05Å; K226-K230 WeakPolarHBondContact O-CG 3.14Å; K226-K230 PolarHBondContact O-N 2.92Å
227C98.1Very high97.6Very high19 Ų1948.1 Ų48.113%0.12823%0.233CC..Hα-helixtrans-68.2-35.1179.5-160.80000112.8L223 S224 T225 K230 T231 L261L223-C227 WeakPolarHBondContact O-CB 3.47Å; L223-C227 PolarHBondContact O-N 3.01Å; S224-C227 CarbonylContact O-C 3.59Å; S224-C227 WeakPolarHBondContact O-CB 3.29Å; S224-C227 PolarHBondContact O-N 2.95Å; T225-C227 VanDerWaalsContact C-N 3.33Å; T225-C227 PolarHBondContact O-N 3.13Å; C227-K230 CarbonylContact O-C 3.5Å; C227-K230 PolarHBondContact O-N 3.02Å; C227-T231 PolarHBondContact O-N 3.05Å; C227-T231 PolarHBondContact O-OG1 3.38Å; C227-L261 HydrophobicContact CB-CD2 3.79Å; C227-L261 WeakPolarHBondContact SG-CD2 3.19Å
228I98.5Very high97.7Very high0 Ų047.8 Ų47.80%023%0.232CC..Hα-helixtrans-62.7-47.3173.2-68.1167.5000110S224 T225 K230 T231 V232 L261 L401 I402 M405 L406S224-I228 WeakPolarHBondContact O-CG1 3.43Å; S224-I228 PolarHBondContact O-N 3.45Å; T225-I228 PolarHBondContact O-N 3.28Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.24Å; I228-T231 WeakPolarHBondContact O-CA 3.26Å; I228-T231 VanDerWaalsContact O-CB 3.3Å; I228-T231 WeakPolarHBondContact O-CB 3.47Å; I228-T231 PolarHBondContact O-N 3.46Å; I228-V232 PolarHBondContact O-N 2.82Å; I228-L261 HydrophobicContact CG1-CD1 3.96Å; I228-L261 HydrophobicContact CG1-CD2 4.48Å; I228-L401 HydrophobicContact CB-CD2 4.03Å; I228-L401 HydrophobicContact CB-CG 4.39Å; I228-L401 HydrophobicContact CG2-CD1 4.19Å; I228-L401 HydrophobicContact CG2-CD2 3.72Å; I228-L401 HydrophobicContact CG2-CG 3.79Å; I228-I402 HydrophobicContact CD1-CG1 3.9Å; I228-M405 HydrophobicContact CG2-CB 4.34Å; I228-M405 HydrophobicContact CG2-CG 3.8Å; I228-L406 HydrophobicContact CD1-CD1 4.44Å
229I98.6Very high97.7Very high79 Ų7945.5 Ų45.541%0.40522%0.222SC..Hα-helixtrans-56.6-46.2175.9-63.7165.6000110.3T225 K226 T231 V232 E233 L401T225-I229 HydrophobicContact CG2-CD1 4.49Å; T225-I229 WeakPolarHBondContact O-CG1 3.17Å; T225-I229 PolarHBondContact O-N 3.28Å; T225-I229 VanDerWaalsContact O-N 3.14Å; K226-I229 PolarHBondContact O-N 3.05Å; I229-T231 PolarHBondContact O-N 2.86Å; I229-V232 PolarHBondContact O-N 2.97Å; I229-V232 VanDerWaalsContact O-N 3.17Å; I229-E233 PolarHBondContact O-N 3.13Å; I229-L401 HydrophobicContact CD1-CD2 4.29Å; I229-L401 HydrophobicContact CG1-CD2 3.64Å
230K98.6Very high97.8Very high81 Ų8142.3 Ų42.335%0.35221%0.214SC..Hα-helixtrans-64.1-25.8175-69.8-47.6-171.3-169.10114.1T190 K226 C227 I228 E233 F234T190-K230 WeakPolarHBondContact CB-O 3.49Å; T190-K230 WeakPolarHBondContact O-CB 3.31Å; K226-K230 WeakPolarHBondContact O-CG 3.14Å; K226-K230 PolarHBondContact O-N 2.92Å; C227-K230 CarbonylContact O-C 3.5Å; C227-K230 PolarHBondContact O-N 3.02Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.24Å; K230-E233 WeakPolarHBondContact CD-OE2 3.42Å; K230-E233 WeakPolarHBondContact CE-OE2 3.49Å; K230-E233 IonicContact NZ-OE1 3.73Å; K230-E233 PolarHBondContact NZ-OE1 3Å; K230-E233 IonicContact NZ-OE2 2.6Å; K230-E233 PolarHBondContact NZ-OE2 2.93Å; K230-F234 WeakPolarHBondContact O-CB 3.34Å; K230-F234 PolarHBondContact O-N 3.35Å
231T98.8Very high97.9Very high1 Ų140.9 Ų40.91%0.00621%0.208CC..Hα-helixtrans-73.4-38.4174-58.60000111.2C227 I228 I229 F234 A235 I260 R264C227-T231 PolarHBondContact O-N 3.05Å; C227-T231 PolarHBondContact O-OG1 3.38Å; I228-T231 WeakPolarHBondContact O-CA 3.26Å; I228-T231 VanDerWaalsContact O-CB 3.3Å; I228-T231 WeakPolarHBondContact O-CB 3.47Å; I228-T231 PolarHBondContact O-N 3.46Å; I229-T231 PolarHBondContact O-N 2.86Å; T231-F234 WeakPolarHBondContact O-CB 3.19Å; T231-F234 PolarHBondContact O-N 3.3Å; T231-A235 PolarHBondContact O-N 2.88Å; T231-I260 HydrophobicContact CG2-CB 4.12Å; T231-I260 HydrophobicContact CG2-CD1 3.77Å; T231-I260 HydrophobicContact CG2-CG2 3.84Å; T231-R264 PolarHBondContact OG1-NH1 3.41Å
232V98.7Very high98Very high37 Ų3744.4 Ų44.422%0.22423%0.23CC..Hα-helixtrans-66.1-42.5171.6-179.80000111.1I228 I229 F234 A235 K236 L253I228-V232 PolarHBondContact O-N 2.82Å; I229-V232 PolarHBondContact O-N 2.97Å; I229-V232 VanDerWaalsContact O-N 3.17Å; V232-F234 VanDerWaalsContact C-N 3.31Å; V232-F234 PolarHBondContact O-N 2.87Å; V232-A235 PolarHBondContact O-N 3.07Å; V232-K236 HydrophobicContact CG1-CD 4.46Å; V232-K236 WeakPolarHBondContact O-CG 3.36Å; V232-K236 PolarHBondContact O-N 2.85Å; V232-K236 VanDerWaalsContact O-N 3.07Å; V232-L253 HydrophobicContact CG1-CD1 4.23Å; V232-L253 HydrophobicContact CG2-CD1 4.23Å; V232-L253 HydrophobicContact CG2-CD2 4.29Å
233E98.7Very high98.1Very high65 Ų6543.3 Ų43.330%0.30423%0.23SC..Hα-helixtrans-60.3-41173.9-72178-159.300112T190 I229 K230 K236 Q237T190-E233 HydrophobicContact CG2-CB 3.92Å; I229-E233 PolarHBondContact O-N 3.13Å; K230-E233 WeakPolarHBondContact CD-OE2 3.42Å; K230-E233 WeakPolarHBondContact CE-OE2 3.49Å; K230-E233 IonicContact NZ-OE1 3.73Å; K230-E233 PolarHBondContact NZ-OE1 3Å; K230-E233 IonicContact NZ-OE2 2.6Å; K230-E233 PolarHBondContact NZ-OE2 2.93Å; E233-K236 PolarHBondContact O-N 3.32Å; E233-Q237 WeakPolarHBondContact O-CG 3.44Å; E233-Q237 PolarHBondContact O-N 2.94Å
234F98.9Very high98.1Very high0 Ų042.8 Ų42.80%023%0.227CC..Hα-helixtrans-59.5-49.8175.4168.3-108.5000111.1A186 H187 T190 K230 T231 V232 K236 Q237 L238 A323A186-F234 HydrophobicContact CB-CD2 3.98Å; A186-F234 HydrophobicContact CB-CE2 4.22Å; H187-F234 HydrophobicContact CB-CD2 4.47Å; H187-F234 HydrophobicContact CB-CE2 4.07Å; T190-F234 HydrophobicContact CG2-CB 4.15Å; K230-F234 WeakPolarHBondContact O-CB 3.34Å; K230-F234 PolarHBondContact O-N 3.35Å; T231-F234 WeakPolarHBondContact O-CB 3.19Å; T231-F234 PolarHBondContact O-N 3.3Å; V232-F234 VanDerWaalsContact C-N 3.31Å; V232-F234 PolarHBondContact O-N 2.87Å; F234-K236 VanDerWaalsContact C-N 3.33Å; F234-K236 PolarHBondContact O-N 3.08Å; F234-Q237 PolarHBondContact O-N 3.39Å; F234-L238 HydrophobicContact CE1-CD1 4.04Å; F234-L238 HydrophobicContact CE1-CD2 4.33Å; F234-L238 HydrophobicContact CE1-CG 4.43Å; F234-L238 HydrophobicContact CE2-CD2 3.91Å; F234-L238 HydrophobicContact CZ-CD1 4.27Å; F234-L238 HydrophobicContact CZ-CD2 3.76Å; F234-L238 HydrophobicContact CZ-CG 4.34Å; F234-L238 PolarHBondContact O-N 3.47Å; F234-A323 HydrophobicContact CZ-CB 4.28Å
235A98.8Very high98.2Very high0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-56.1-46.4178.900000112T231 V232 Q237 L238 F241 L253 L326T231-A235 PolarHBondContact O-N 2.88Å; V232-A235 PolarHBondContact O-N 3.07Å; A235-Q237 PolarHBondContact O-N 2.65Å; A235-Q237 VanDerWaalsContact O-N 3.17Å; A235-L238 WeakPolarHBondContact O-CB 3.32Å; A235-L238 PolarHBondContact O-N 3.46Å; A235-F241 HydrophobicContact CB-CD1 4.01Å; A235-F241 HydrophobicContact CB-CD2 4.48Å; A235-F241 HydrophobicContact CB-CE1 3.7Å; A235-F241 HydrophobicContact CB-CE2 4.21Å; A235-F241 HydrophobicContact CB-CG 4.39Å; A235-F241 HydrophobicContact CB-CZ 3.82Å; A235-F241 VanDerWaalsContact O-CB 3.25Å; A235-F241 WeakPolarHBondContact O-CB 3.49Å; A235-F241 VanDerWaalsContact O-CD1 3.26Å; A235-F241 WeakPolarHBondContact O-CD1 3.48Å; A235-F241 VanDerWaalsContact O-CG 3.29Å; A235-F241 WeakPolarHBondContact O-CG 3.27Å; A235-L253 HydrophobicContact CB-CD2 3.79Å; A235-L253 HydrophobicContact CB-CG 4.49Å; A235-L326 HydrophobicContact CB-CD2 3.48Å; A235-L326 VanDerWaalsContact CB-CD2 3.48Å
236K98.6Very high98.2Very high126 Ų12647.7 Ų47.755%0.54825%0.251SS..Hα-helixtrans-61.6-23.7178.4-72.5178.5177.9-178.80114V232 E233 F234 T242V232-K236 HydrophobicContact CG1-CD 4.46Å; V232-K236 WeakPolarHBondContact O-CG 3.36Å; V232-K236 PolarHBondContact O-N 2.85Å; V232-K236 VanDerWaalsContact O-N 3.07Å; E233-K236 PolarHBondContact O-N 3.32Å; F234-K236 VanDerWaalsContact C-N 3.33Å; F234-K236 PolarHBondContact O-N 3.08Å; K236-T242 HydrophobicContact CB-CG2 4.39Å
237Q98.5Very high98.2Very high84 Ų8444.5 Ų44.539%0.39325%0.245SC..Hα-helixtrans-88.7-8.2177.9-67.7179.644.500113.2A186 E233 F234 A235A186-Q237 HydrophobicContact CB-CB 3.6Å; E233-Q237 WeakPolarHBondContact O-CG 3.44Å; E233-Q237 PolarHBondContact O-N 2.94Å; F234-Q237 PolarHBondContact O-N 3.39Å; A235-Q237 PolarHBondContact O-N 2.65Å; A235-Q237 VanDerWaalsContact O-N 3.17Å
238L98.5Very high98.2Very high4 Ų443.6 Ų43.62%0.02124%0.239CC..SBendtrans-73.1140.7177.6-64.6178000111.4V183 F234 A235 G240 F241 A323 L326V183-L238 HydrophobicContact CG1-CD2 4.18Å; V183-L238 HydrophobicContact CG2-CD2 3.95Å; F234-L238 HydrophobicContact CE1-CD1 4.04Å; F234-L238 HydrophobicContact CE1-CD2 4.33Å; F234-L238 HydrophobicContact CE1-CG 4.43Å; F234-L238 HydrophobicContact CE2-CD2 3.91Å; F234-L238 HydrophobicContact CZ-CD1 4.27Å; F234-L238 HydrophobicContact CZ-CD2 3.76Å; F234-L238 HydrophobicContact CZ-CG 4.34Å; F234-L238 PolarHBondContact O-N 3.47Å; A235-L238 WeakPolarHBondContact O-CB 3.32Å; A235-L238 PolarHBondContact O-N 3.46Å; L238-G240 PolarHBondContact O-N 3.49Å; L238-F241 HydrophobicContact CB-CB 4.13Å; L238-F241 PolarHBondContact O-N 3.04Å; L238-A323 HydrophobicContact CD1-CB 3.77Å; L238-A323 HydrophobicContact CD2-CB 3.87Å; L238-A323 HydrophobicContact CG-CB 4.49Å; L238-L326 HydrophobicContact CD1-CD2 3.66Å
239P95.4Very high98.2Very high39 Ų3944.6 Ų44.625%0.25324%0.244SC..THydrogen-bonded Turntrans-56.5124.2176.1-23.834.2000111.8M179 F241M179-P239 HydrophobicContact CG-CG 4.33Å; P239-F241 VanDerWaalsContact C-N 3.29Å; P239-F241 PolarHBondContact O-N 2.98Å
240G96.1Very high98.2Very high24 Ų2444.8 Ų44.825%0.24724%0.244CC..THydrogen-bonded Turntrans82.3-1417500000116.1L238 T242 T243L238-G240 PolarHBondContact O-N 3.49Å; G240-T242 PolarHBondContact O-N 2.98Å; G240-T243 WeakPolarHBondContact O-CB 3.41Å; G240-T243 PolarHBondContact O-N 2.83Å; G240-T243 PolarHBondContact O-OG1 3.26Å
241F98.5Very high98.1Very high1 Ų142.5 Ų42.50%0.00424%0.237CC..G310 helixtrans-59.4-43.6-176.6-178.4-96.1000112.9A235 L238 P239 T243 L244 Q249 L252 L253 L326 L327A235-F241 HydrophobicContact CB-CD1 4.01Å; A235-F241 HydrophobicContact CB-CD2 4.48Å; A235-F241 HydrophobicContact CB-CE1 3.7Å; A235-F241 HydrophobicContact CB-CE2 4.21Å; A235-F241 HydrophobicContact CB-CG 4.39Å; A235-F241 HydrophobicContact CB-CZ 3.82Å; A235-F241 VanDerWaalsContact O-CB 3.25Å; A235-F241 WeakPolarHBondContact O-CB 3.49Å; A235-F241 VanDerWaalsContact O-CD1 3.26Å; A235-F241 WeakPolarHBondContact O-CD1 3.48Å; A235-F241 VanDerWaalsContact O-CG 3.29Å; A235-F241 WeakPolarHBondContact O-CG 3.27Å; L238-F241 HydrophobicContact CB-CB 4.13Å; L238-F241 PolarHBondContact O-N 3.04Å; P239-F241 VanDerWaalsContact C-N 3.29Å; P239-F241 PolarHBondContact O-N 2.98Å; F241-T243 PolarHBondContact O-N 3.21Å; F241-T243 VanDerWaalsContact O-N 3.14Å; F241-L244 HydrophobicContact CD2-CD1 4.38Å; F241-L244 WeakPolarHBondContact O-CB 3.24Å; F241-L244 PolarHBondContact O-N 2.73Å; F241-Q249 HydrophobicContact CD1-CG 4.26Å; F241-Q249 HydrophobicContact CE1-CB 4Å; F241-Q249 HydrophobicContact CE1-CG 3.7Å; F241-Q249 HydrophobicContact CE2-CG 4.32Å; F241-Q249 HydrophobicContact CZ-CB 3.75Å; F241-Q249 HydrophobicContact CZ-CG 3.73Å; F241-L252 HydrophobicContact CE2-CD1 4.29Å; F241-L253 HydrophobicContact CE1-CD1 4.46Å; F241-L253 HydrophobicContact CZ-CD1 4.05Å; F241-L253 HydrophobicContact CZ-CG 4.03Å; F241-L326 HydrophobicContact CD2-CD2 4.11Å; F241-L326 HydrophobicContact CE2-CD1 4.42Å; F241-L326 HydrophobicContact CE2-CD2 3.94Å; F241-L326 HydrophobicContact CE2-CG 4.21Å; F241-L327 HydrophobicContact CD2-CD2 4.06Å
242T97.9Very high98.1Very high88 Ų8842.4 Ų42.454%0.5424%0.237SC..G310 helixtrans-71-6.2179.755.50000114.1K236 G240K236-T242 HydrophobicContact CB-CG2 4.39Å; G240-T242 PolarHBondContact O-N 2.98Å
243T98.1Very high98.1Very high83 Ų8341.4 Ų41.451%0.50923%0.23SC..G310 helixtrans-90.2-9.2176.575.90000113.2G240 F241 K339G240-T243 WeakPolarHBondContact O-CB 3.41Å; G240-T243 PolarHBondContact O-N 2.83Å; G240-T243 PolarHBondContact O-OG1 3.26Å; F241-T243 PolarHBondContact O-N 3.21Å; F241-T243 VanDerWaalsContact O-N 3.14Å; T243-K339 PolarHBondContact O-NZ 2.9Å
244L98.4Very high98Very high7 Ų741.9 Ų41.94%0.03723%0.231CC..SBendtrans-75.9160.2171.9-63.8173.9000110.7F241 D248 Q249 L252 L327 K339 V340 L343F241-L244 HydrophobicContact CD2-CD1 4.38Å; F241-L244 WeakPolarHBondContact O-CB 3.24Å; F241-L244 PolarHBondContact O-N 2.73Å; L244-D248 HydrophobicContact CB-CB 4.41Å; L244-Q249 HydrophobicContact CB-CG 4.03Å; L244-Q249 PolarHBondContact O-NE2 3Å; L244-L252 HydrophobicContact CD1-CD1 3.62Å; L244-L327 HydrophobicContact CD1-CD2 4.07Å; L244-K339 HydrophobicContact CD2-CB 4.47Å; L244-K339 HydrophobicContact CD2-CD 3.93Å; L244-K339 HydrophobicContact CD2-CG 3.99Å; L244-V340 HydrophobicContact CD1-CG2 4.16Å; L244-V340 HydrophobicContact CD2-CG2 4.05Å; L244-L343 HydrophobicContact CD1-CD1 4.04Å; L244-L343 HydrophobicContact CD2-CD1 3.79Å; L244-L343 HydrophobicContact CG-CD1 3.87Å
245T98.4Very high97.9Very high38 Ų3843.8 Ų43.823%0.23325%0.247CC..  trans-62.4153.7174.779.50000110.7A247 D248 Q249 E335 E336T245-A247 PolarHBondContact O-N 3.43Å; T245-D248 PolarHBondContact O-N 2.91Å; T245-D248 WeakPolarHBondContact OG1-CB 3.14Å; T245-D248 PolarHBondContact OG1-N 3.04Å; T245-D248 VanDerWaalsContact OG1-N 3.14Å; T245-Q249 WeakPolarHBondContact O-CG 3.33Å; T245-Q249 PolarHBondContact O-N 3.48Å; T245-E335 VanDerWaalsContact CB-OE2 3.24Å; T245-E335 WeakPolarHBondContact CB-OE2 3.26Å; T245-E335 VanDerWaalsContact CG2-OE2 3.28Å; T245-E335 WeakPolarHBondContact CG2-OE2 3.29Å; T245-E335 PolarHBondContact OG1-OE2 2.81Å; T245-E336 HydrophobicContact CG2-CG 4.31Å
246I98.1Very high97.9Very high117 Ų11743.8 Ų43.860%0.625%0.247SC*.Hα-helixtrans-63.6-34.7179.2-61-61.5000110.6Q249 I250I246-Q249 PolarHBondContact O-N 3.1Å; I246-I250 HydrophobicContact CG2-CD1 3.94Å; I246-I250 WeakPolarHBondContact O-CD1 3.5Å; I246-I250 VanDerWaalsContact O-CG1 3.26Å; I246-I250 WeakPolarHBondContact O-CG1 3.49Å; I246-I250 PolarHBondContact O-N 3.46Å
247A97.9Very high97.9Very high41 Ų4137.9 Ų37.934%0.33922%0.221SC..Hα-helixtrans-59.6-51.9173.900000110.8T245 Q249 I250 T251T245-A247 PolarHBondContact O-N 3.43Å; A247-Q249 PolarHBondContact O-N 3.16Å; A247-I250 WeakPolarHBondContact O-CB 3.34Å; A247-I250 PolarHBondContact O-N 3.31Å; A247-I250 VanDerWaalsContact O-N 3.11Å; A247-T251 PolarHBondContact O-N 2.89Å; A247-T251 PolarHBondContact O-OG1 3.26Å
248D98.5Very high97.8Very high0 Ų035.2 Ų35.20%021%0.21CC..Hα-helixtrans-62.3-41.1178.7-73.6-2.8000112.3L244 T245 I250 T251 L252 L334 E335 E336L244-D248 HydrophobicContact CB-CB 4.41Å; T245-D248 PolarHBondContact O-N 2.91Å; T245-D248 WeakPolarHBondContact OG1-CB 3.14Å; T245-D248 PolarHBondContact OG1-N 3.04Å; T245-D248 VanDerWaalsContact OG1-N 3.14Å; D248-I250 VanDerWaalsContact C-N 3.29Å; D248-I250 PolarHBondContact O-N 2.86Å; D248-T251 PolarHBondContact O-N 2.98Å; D248-L252 WeakPolarHBondContact O-CB 3.31Å; D248-L252 WeakPolarHBondContact O-CG 3.41Å; D248-L252 PolarHBondContact O-N 3.48Å; D248-L334 HydrophobicContact CB-CD2 3.95Å; D248-L334 WeakPolarHBondContact OD1-CA 3.29Å; D248-E335 PolarHBondContact OD1-N 2.9Å; D248-E336 PolarHBondContact OD2-N 2.96Å
249Q98.6Very high97.8Very high21 Ų2135.3 Ų35.310%0.09821%0.21CC..Hα-helixtrans-58.5-41.9175.2-71.9179.552.300111.8F241 L244 T245 I246 A247 L253F241-Q249 HydrophobicContact CD1-CG 4.26Å; F241-Q249 HydrophobicContact CE1-CB 4Å; F241-Q249 HydrophobicContact CE1-CG 3.7Å; F241-Q249 HydrophobicContact CE2-CG 4.32Å; F241-Q249 HydrophobicContact CZ-CB 3.75Å; F241-Q249 HydrophobicContact CZ-CG 3.73Å; L244-Q249 HydrophobicContact CB-CG 4.03Å; L244-Q249 PolarHBondContact O-NE2 3Å; T245-Q249 WeakPolarHBondContact O-CG 3.33Å; T245-Q249 PolarHBondContact O-N 3.48Å; I246-Q249 PolarHBondContact O-N 3.1Å; A247-Q249 PolarHBondContact O-N 3.16Å; Q249-L253 VanDerWaalsContact O-CB 3.29Å; Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 WeakPolarHBondContact O-CD1 3.43Å; Q249-L253 VanDerWaalsContact O-CG 3.3Å; Q249-L253 WeakPolarHBondContact O-CG 3.5Å; Q249-L253 PolarHBondContact O-N 3.14Å
250I97.6Very high98Very high83 Ų8333.5 Ų33.543%0.42620%0.199SC..Hα-helixtrans-66.5-48176.7-68.7164.8000110.3I246 A247 D248 L252 L253 K254I246-I250 HydrophobicContact CG2-CD1 3.94Å; I246-I250 WeakPolarHBondContact O-CD1 3.5Å; I246-I250 VanDerWaalsContact O-CG1 3.26Å; I246-I250 WeakPolarHBondContact O-CG1 3.49Å; I246-I250 PolarHBondContact O-N 3.46Å; A247-I250 WeakPolarHBondContact O-CB 3.34Å; A247-I250 PolarHBondContact O-N 3.31Å; A247-I250 VanDerWaalsContact O-N 3.11Å; D248-I250 VanDerWaalsContact C-N 3.29Å; D248-I250 PolarHBondContact O-N 2.86Å; I250-L252 PolarHBondContact O-N 3.35Å; I250-L253 PolarHBondContact O-N 3.31Å; I250-K254 HydrophobicContact CG2-CD 4.06Å; I250-K254 HydrophobicContact CG2-CG 4.28Å; I250-K254 WeakPolarHBondContact O-CB 3.37Å; I250-K254 WeakPolarHBondContact O-CG 3.28Å; I250-K254 PolarHBondContact O-N 3.35Å
251T97.9Very high98.1Very high33 Ų3333.6 Ų33.620%0.20219%0.193CC..Hα-helixtrans-56.5-49.6178.9-63.70000111.4A247 D248 K254 A255 R331 Q332 L334A247-T251 PolarHBondContact O-N 2.89Å; A247-T251 PolarHBondContact O-OG1 3.26Å; D248-T251 PolarHBondContact O-N 2.98Å; T251-K254 PolarHBondContact O-N 2.97Å; T251-A255 VanDerWaalsContact O-CB 3.24Å; T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 2.62Å; T251-R331 HydrophobicContact CG2-CB 4.18Å; T251-Q332 WeakPolarHBondContact CG2-O 3.44Å; T251-L334 HydrophobicContact CG2-CD2 3.83Å; T251-L334 HydrophobicContact CG2-CG 4.27Å
252L98.5Very high98.1Very high0 Ų034.1 Ų34.10%020%0.196CC..Hα-helixtrans-63-44.9178.5-66.6171.4000112F241 L244 D248 I250 A255 A256 L326 L327 R331 L334 V340F241-L252 HydrophobicContact CE2-CD1 4.29Å; L244-L252 HydrophobicContact CD1-CD1 3.62Å; D248-L252 WeakPolarHBondContact O-CB 3.31Å; D248-L252 WeakPolarHBondContact O-CG 3.41Å; D248-L252 PolarHBondContact O-N 3.48Å; I250-L252 PolarHBondContact O-N 3.35Å; L252-A255 PolarHBondContact O-N 2.93Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.3Å; L252-L326 HydrophobicContact CB-CD1 4.26Å; L252-L326 WeakPolarHBondContact CD2-O 3.37Å; L252-L327 HydrophobicContact CD1-CD2 4.3Å; L252-R331 HydrophobicContact CD2-CG 3.97Å; L252-L334 HydrophobicContact CD2-CD1 4.24Å; L252-L334 HydrophobicContact CD2-CD2 4.02Å; L252-L334 HydrophobicContact CG-CD2 4.02Å; L252-V340 HydrophobicContact CD1-CG1 4.16Å; L252-V340 HydrophobicContact CD1-CG2 4.05Å; L252-V340 HydrophobicContact CD2-CG1 3.93Å
253L98.4Very high98.1Very high16 Ų1630 Ų308%0.08417%0.171CC..Hα-helixtrans-63.4-48.1178.9-82.1166.5000111.6V232 A235 F241 Q249 I250 A255 A256 C257 L326 M405V232-L253 HydrophobicContact CG1-CD1 4.23Å; V232-L253 HydrophobicContact CG2-CD1 4.23Å; V232-L253 HydrophobicContact CG2-CD2 4.29Å; A235-L253 HydrophobicContact CB-CD2 3.79Å; A235-L253 HydrophobicContact CB-CG 4.49Å; F241-L253 HydrophobicContact CE1-CD1 4.46Å; F241-L253 HydrophobicContact CZ-CD1 4.05Å; F241-L253 HydrophobicContact CZ-CG 4.03Å; Q249-L253 VanDerWaalsContact O-CB 3.29Å; Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 WeakPolarHBondContact O-CD1 3.43Å; Q249-L253 VanDerWaalsContact O-CG 3.3Å; Q249-L253 WeakPolarHBondContact O-CG 3.5Å; Q249-L253 PolarHBondContact O-N 3.14Å; I250-L253 PolarHBondContact O-N 3.31Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 3.44Å; L253-A256 PolarHBondContact O-N 3.5Å; L253-C257 WeakPolarHBondContact O-CA 3.27Å; L253-C257 WeakPolarHBondContact O-CB 3.45Å; L253-C257 PolarHBondContact O-N 3.49Å; L253-L326 HydrophobicContact CD2-CD1 3.94Å; L253-L326 HydrophobicContact CG-CD1 4.22Å; L253-M405 HydrophobicContact CB-CE 3.84Å
254K96.8Very high98.2Very high75 Ų7526.1 Ų26.133%0.32615%0.146SC..Hα-helixtrans-59.1-44.9177.4-74.8-170.5174.5-162.80111.2I250 T251 A256 E404 M405I250-K254 HydrophobicContact CG2-CD 4.06Å; I250-K254 HydrophobicContact CG2-CG 4.28Å; I250-K254 WeakPolarHBondContact O-CB 3.37Å; I250-K254 WeakPolarHBondContact O-CG 3.28Å; I250-K254 PolarHBondContact O-N 3.35Å; T251-K254 PolarHBondContact O-N 2.97Å; K254-A256 VanDerWaalsContact C-N 3.35Å; K254-A256 PolarHBondContact O-N 2.88Å; K254-E404 WeakPolarHBondContact CE-O 3.41Å; K254-E404 PolarHBondContact NZ-O 3.28Å; K254-M405 HydrophobicContact CG-CE 4.13Å; K254-M405 HydrophobicContact CG-SD 4.22Å
255A96.6Very high98.2Very high39 Ų3926.6 Ų26.632%0.32215%0.149SC..Hα-helixtrans-72.1-24.5-175.300000114.5T251 L252 L253 R331T251-A255 VanDerWaalsContact O-CB 3.24Å; T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 2.62Å; L252-A255 PolarHBondContact O-N 2.93Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 3.44Å; A255-R331 HydrophobicContact CB-CG 3.95Å; A255-R331 PolarHBondContact O-NH1 3.03Å; A255-R331 PolarHBondContact O-NH2 3.21Å
256A98Very high98.2Very high0 Ų025 Ų250%014%0.139CC..Hα-helixtrans-112.1-8.1-176.900000114.5L252 L253 K254 L258 D259 I260 C325 L326L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.3Å; L253-A256 PolarHBondContact O-N 3.5Å; K254-A256 VanDerWaalsContact C-N 3.35Å; K254-A256 PolarHBondContact O-N 2.88Å; A256-L258 VanDerWaalsContact C-N 3.31Å; A256-L258 PolarHBondContact O-N 3.21Å; A256-D259 WeakPolarHBondContact O-CB 3.32Å; A256-D259 PolarHBondContact O-N 2.91Å; A256-D259 VanDerWaalsContact O-N 3.17Å; A256-I260 HydrophobicContact CB-CD1 4.27Å; A256-I260 WeakPolarHBondContact O-CG1 3.47Å; A256-I260 PolarHBondContact O-N 2.73Å; A256-C325 WeakPolarHBondContact CB-O 3.29Å; A256-L326 HydrophobicContact CB-CB 4.42Å; A256-L326 HydrophobicContact CB-CD1 4.09Å
257C98.4Very high98.1Very high2 Ų221.7 Ų21.71%0.01413%0.125CC..Hα-helixtrans-54.1-49.6-173.2-170.40000111.3L253 D259 I260 L261 M405 L406L253-C257 WeakPolarHBondContact O-CA 3.27Å; L253-C257 WeakPolarHBondContact O-CB 3.45Å; L253-C257 PolarHBondContact O-N 3.49Å; C257-D259 PolarHBondContact O-N 3.34Å; C257-I260 PolarHBondContact O-N 3.33Å; C257-L261 VanDerWaalsContact O-CG 3.29Å; C257-L261 WeakPolarHBondContact O-CG 3.22Å; C257-L261 PolarHBondContact O-N 2.82Å; C257-M405 HydrophobicContact CB-CE 4.05Å; C257-L406 HydrophobicContact CB-CD2 3.88Å
258L97.8Very high98Very high29 Ų2919.9 Ų19.915%0.15211%0.109CC..Hα-helixtrans-68.3-36.5-177.4-156.370.1000112.9A256 I260 L261 I262 S380 L406A256-L258 VanDerWaalsContact C-N 3.31Å; A256-L258 PolarHBondContact O-N 3.21Å; L258-I260 VanDerWaalsContact C-N 3.31Å; L258-I260 PolarHBondContact O-N 3.07Å; L258-L261 HydrophobicContact CD1-CD1 4.47Å; L258-L261 PolarHBondContact O-N 2.91Å; L258-I262 HydrophobicContact CD2-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 3.98Å; L258-I262 WeakPolarHBondContact O-CB 3.4Å; L258-I262 VanDerWaalsContact O-CG1 3.31Å; L258-I262 WeakPolarHBondContact O-CG1 3.14Å; L258-I262 PolarHBondContact O-N 3.41Å; L258-S380 WeakPolarHBondContact CD2-O 3.5Å; L258-L406 HydrophobicContact CB-CD2 4.24Å; L258-L406 HydrophobicContact CD1-CD1 3.92Å; L258-L406 HydrophobicContact CD1-CD2 3.98Å; L258-L406 HydrophobicContact CD1-CG 4.49Å
259D98.3Very high98Very high6 Ų620.9 Ų20.93%0.03211%0.113CC..Hα-helixtrans-56.3-48.3172.9-65-37.8000110.2A256 C257 I262 L263 C325 R331 L376 S380A256-D259 WeakPolarHBondContact O-CB 3.32Å; A256-D259 PolarHBondContact O-N 2.91Å; A256-D259 VanDerWaalsContact O-N 3.17Å; C257-D259 PolarHBondContact O-N 3.34Å; D259-I262 PolarHBondContact O-N 2.94Å; D259-L263 WeakPolarHBondContact O-CB 3.48Å; D259-L263 PolarHBondContact O-N 3.48Å; D259-C325 HydrophobicContact CB-CB 4.37Å; D259-R331 IonicContact OD2-NH2 3.46Å; D259-L376 HydrophobicContact CB-CD2 3.92Å; D259-L376 HydrophobicContact CB-CG 4.08Å; D259-S380 WeakPolarHBondContact CA-OG 3.48Å; D259-S380 PolarHBondContact N-OG 3.4Å; D259-S380 WeakPolarHBondContact OD1-CB 3.24Å; D259-S380 PolarHBondContact OD1-OG 3.17Å
260I98.7Very high97.9Very high1 Ų120.7 Ų20.71%0.00511%0.113CC..Hα-helixtrans-67.5-42.2-178.1-62.1165.7000110.8T231 A256 C257 L258 L263 R264 L326T231-I260 HydrophobicContact CG2-CB 4.12Å; T231-I260 HydrophobicContact CG2-CD1 3.77Å; T231-I260 HydrophobicContact CG2-CG2 3.84Å; A256-I260 HydrophobicContact CB-CD1 4.27Å; A256-I260 WeakPolarHBondContact O-CG1 3.47Å; A256-I260 PolarHBondContact O-N 2.73Å; C257-I260 PolarHBondContact O-N 3.33Å; L258-I260 VanDerWaalsContact C-N 3.31Å; L258-I260 PolarHBondContact O-N 3.07Å; I260-L263 PolarHBondContact O-N 3.26Å; I260-R264 HydrophobicContact CG2-CG 4.31Å; I260-R264 WeakPolarHBondContact O-CB 3.39Å; I260-R264 VanDerWaalsContact O-CG 3.25Å; I260-R264 WeakPolarHBondContact O-CG 3.42Å; I260-R264 PolarHBondContact O-N 3.42Å; I260-L326 HydrophobicContact CD1-CB 4.15Å; I260-L326 HydrophobicContact CD1-CD1 4.37Å
261L98.5Very high97.7Very high25 Ų2519 Ų1913%0.13111%0.108CC..Hα-helixtrans-61.7-45177.3-68.6176.1000111.7C227 I228 C257 L258 R264 I265 L406C227-L261 HydrophobicContact CB-CD2 3.79Å; C227-L261 WeakPolarHBondContact SG-CD2 3.19Å; I228-L261 HydrophobicContact CG1-CD1 3.96Å; I228-L261 HydrophobicContact CG1-CD2 4.48Å; C257-L261 VanDerWaalsContact O-CG 3.29Å; C257-L261 WeakPolarHBondContact O-CG 3.22Å; C257-L261 PolarHBondContact O-N 2.82Å; L258-L261 HydrophobicContact CD1-CD1 4.47Å; L258-L261 PolarHBondContact O-N 2.91Å; L261-R264 PolarHBondContact O-N 2.86Å; L261-I265 WeakPolarHBondContact O-CG2 3.31Å; L261-I265 PolarHBondContact O-N 2.87Å; L261-L406 HydrophobicContact CD1-CD1 4.48Å; L261-L406 HydrophobicContact CD1-CD2 4.41Å
262I98.7Very high97.5Very high13 Ų1324.5 Ų24.57%0.06713%0.131CC..Hα-helixtrans-67.2-44.9179.4-69166.8000110.7L258 D259 R264 I265 C266 L376 I379L258-I262 HydrophobicContact CD2-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 3.98Å; L258-I262 WeakPolarHBondContact O-CB 3.4Å; L258-I262 VanDerWaalsContact O-CG1 3.31Å; L258-I262 WeakPolarHBondContact O-CG1 3.14Å; L258-I262 PolarHBondContact O-N 3.41Å; D259-I262 PolarHBondContact O-N 2.94Å; I262-R264 VanDerWaalsContact C-N 3.34Å; I262-R264 PolarHBondContact O-N 3.31Å; I262-I265 WeakPolarHBondContact O-CG2 3.38Å; I262-I265 PolarHBondContact O-N 2.84Å; I262-C266 WeakPolarHBondContact O-CB 3.36Å; I262-C266 PolarHBondContact O-N 3.34Å; I262-C266 PolarHBondContact O-SG 2.8Å; I262-L376 HydrophobicContact CB-CD1 3.82Å; I262-L376 HydrophobicContact CG2-CD1 3.53Å; I262-I379 HydrophobicContact CD1-CG2 3.94Å; I262-I379 HydrophobicContact CG2-CG2 4.31Å
263L98.7Very high97.3Very high1 Ų130.3 Ų30.31%0.00516%0.159CC..Hα-helixtrans-59.3-47.3176.5179.460.1000111D259 I260 C266 T267 F304 L308 T318 L321 L376D259-L263 WeakPolarHBondContact O-CB 3.48Å; D259-L263 PolarHBondContact O-N 3.48Å; I260-L263 PolarHBondContact O-N 3.26Å; L263-C266 PolarHBondContact O-N 2.97Å; L263-T267 PolarHBondContact O-N 3.41Å; L263-T267 VanDerWaalsContact O-N 3.14Å; L263-F304 HydrophobicContact CD1-CE1 4.42Å; L263-L308 HydrophobicContact CD1-CD1 3.98Å; L263-T318 HydrophobicContact CD2-CG2 4.47Å; L263-T318 HydrophobicContact CG-CG2 4.35Å; L263-L321 HydrophobicContact CD1-CD2 4.28Å; L263-L321 HydrophobicContact CD2-CB 4.2Å; L263-L321 HydrophobicContact CD2-CD2 4.04Å; L263-L321 HydrophobicContact CD2-CG 4.29Å; L263-L376 HydrophobicContact CB-CD2 4.08Å
264R98.5Very high97.2Very high1 Ų131.8 Ų31.80%0.00417%0.166CC..Hα-helixtrans-60.1-47.5178.4-82.5179175.2-160.5-9.6112.8T190 F191 T231 I260 L261 I262 C266 T267 R268T190-R264 PolarHBondContact OG1-NH2 2.94Å; F191-R264 HydrophobicContact CD1-CB 4.33Å; F191-R264 HydrophobicContact CD1-CG 4.03Å; F191-R264 HydrophobicContact CD2-CB 4.2Å; F191-R264 HydrophobicContact CD2-CG 4.1Å; F191-R264 HydrophobicContact CE1-CB 3.84Å; F191-R264 HydrophobicContact CE1-CG 4.03Å; F191-R264 WeakPolarHBondContact CE1-O 3.21Å; F191-R264 HydrophobicContact CE2-CB 3.71Å; F191-R264 HydrophobicContact CE2-CG 4.13Å; F191-R264 HydrophobicContact CG-CB 4.49Å; F191-R264 HydrophobicContact CG-CG 4.04Å; F191-R264 HydrophobicContact CZ-CB 3.5Å; F191-R264 VanDerWaalsContact CZ-CB 3.5Å; F191-R264 HydrophobicContact CZ-CG 4.08Å; F191-R264 WeakPolarHBondContact CZ-O 3.41Å; T231-R264 PolarHBondContact OG1-NH1 3.41Å; I260-R264 HydrophobicContact CG2-CG 4.31Å; I260-R264 WeakPolarHBondContact O-CB 3.39Å; I260-R264 VanDerWaalsContact O-CG 3.25Å; I260-R264 WeakPolarHBondContact O-CG 3.42Å; I260-R264 PolarHBondContact O-N 3.42Å; L261-R264 PolarHBondContact O-N 2.86Å; I262-R264 VanDerWaalsContact C-N 3.34Å; I262-R264 PolarHBondContact O-N 3.31Å; R264-C266 VanDerWaalsContact C-N 3.29Å; R264-C266 PolarHBondContact O-N 3.46Å; R264-T267 PolarHBondContact O-N 2.69Å; R264-T267 PolarHBondContact O-OG1 3.24Å; R264-R268 WeakPolarHBondContact O-CG 3.4Å
265I98.3Very high97.3Very high17 Ų1729 Ų299%0.08716%0.156CC..Hα-helixtrans-68.8-31179.5-164.662.4000111.8L261 I262 T267 R268 M276 F278 M289 V301L261-I265 WeakPolarHBondContact O-CG2 3.31Å; L261-I265 PolarHBondContact O-N 2.87Å; I262-I265 WeakPolarHBondContact O-CG2 3.38Å; I262-I265 PolarHBondContact O-N 2.84Å; I265-T267 PolarHBondContact O-N 3.45Å; I265-R268 HydrophobicContact CD1-CB 4.45Å; I265-R268 WeakPolarHBondContact O-CB 3.32Å; I265-R268 PolarHBondContact O-N 3.38Å; I265-M276 HydrophobicContact CD1-CB 4.21Å; I265-M276 HydrophobicContact CG1-CB 4.22Å; I265-M276 HydrophobicContact CG1-SD 3.98Å; I265-F278 HydrophobicContact CD1-CD1 4.05Å; I265-F278 HydrophobicContact CD1-CE1 3.98Å; I265-F278 HydrophobicContact CD1-CG 4.41Å; I265-F278 HydrophobicContact CD1-CZ 4.28Å; I265-M289 HydrophobicContact CG1-CE 4.28Å; I265-V301 HydrophobicContact CG2-CG1 4.32Å
266C98.5Very high97.4Very high4 Ų427.1 Ų27.13%0.02714%0.14CC..Hα-helixtrans-69-30.4176.7-69.70000113.1I262 L263 R264 R268 Y269 V301 F304 A305 L308I262-C266 WeakPolarHBondContact O-CB 3.36Å; I262-C266 PolarHBondContact O-N 3.34Å; I262-C266 PolarHBondContact O-SG 2.8Å; L263-C266 PolarHBondContact O-N 2.97Å; R264-C266 VanDerWaalsContact C-N 3.29Å; R264-C266 PolarHBondContact O-N 3.46Å; C266-R268 PolarHBondContact O-N 3.13Å; C266-Y269 WeakPolarHBondContact O-CB 3.36Å; C266-Y269 PolarHBondContact O-N 3.43Å; C266-V301 PolarHBondContact SG-O 3.5Å; C266-F304 HydrophobicContact CB-CD1 4.17Å; C266-A305 HydrophobicContact CB-CB 3.89Å; C266-L308 HydrophobicContact CB-CD1 3.8Å
267T96.7Very high97.4Very high49 Ų4927.1 Ų27.130%0.30114%0.14SC..THydrogen-bonded Turntrans-74.4-4.3171.462.50000113.3L263 R264 I265 T318L263-T267 PolarHBondContact O-N 3.41Å; L263-T267 VanDerWaalsContact O-N 3.14Å; R264-T267 PolarHBondContact O-N 2.69Å; R264-T267 PolarHBondContact O-OG1 3.24Å; I265-T267 PolarHBondContact O-N 3.45Å; T267-T318 HydrophobicContact CG2-CG2 3.84Å
268R96.5Very high97.3Very high2 Ų227.9 Ų27.91%0.00814%0.143CC..THydrogen-bonded Turntrans-101.111.5173.6-59.1-73.1-166.463.33.1113.4F191 P192 L194 R264 I265 C266 T277F191-R268 HydrophobicContact CE1-CG 3.91Å; F191-R268 VanDerWaalsContact CE1-CZ 3.43Å; F191-R268 VanDerWaalsContact CE1-NE 3.27Å; F191-R268 VanDerWaalsContact CE2-CZ 3.49Å; F191-R268 HydrophobicContact CZ-CG 3.59Å; F191-R268 VanDerWaalsContact CZ-NE 3.34Å; P192-R268 VanDerWaalsContact O-CZ 3.24Å; P192-R268 PolarHBondContact O-NE 2.96Å; P192-R268 VanDerWaalsContact O-NE 3.15Å; P192-R268 PolarHBondContact O-NH2 2.95Å; L194-R268 HydrophobicContact CD1-CB 4.41Å; R264-R268 WeakPolarHBondContact O-CG 3.4Å; I265-R268 HydrophobicContact CD1-CB 4.45Å; I265-R268 WeakPolarHBondContact O-CB 3.32Å; I265-R268 PolarHBondContact O-N 3.38Å; C266-R268 PolarHBondContact O-N 3.13Å; R268-T277 VanDerWaalsContact CB-O 3.23Å; R268-T277 WeakPolarHBondContact CB-O 3.4Å; R268-T277 WeakPolarHBondContact CG-O 3.08Å; R268-T277 PolarHBondContact NH1-O 3.25Å; R268-T277 PolarHBondContact O-N 3.28Å
269Y97.9Very high97.1Very high21 Ų2128.9 Ų28.98%0.08215%0.153CC..EExtended strand (participates in β ladder)trans-74.7133.7177.8-178.9-123.9000111.6C266 P271 D274 T275 M276 F302 A305 N306 L309C266-Y269 WeakPolarHBondContact O-CB 3.36Å; C266-Y269 PolarHBondContact O-N 3.43Å; Y269-P271 HydrophobicContact CD1-CG 4.08Å; Y269-P271 HydrophobicContact CE1-CB 4.09Å; Y269-P271 HydrophobicContact CE1-CG 3.95Å; Y269-D274 VanDerWaalsContact CE2-OD1 3.31Å; Y269-D274 WeakPolarHBondContact CE2-OD1 3.09Å; Y269-D274 PolarHBondContact OH-OD1 3.02Å; Y269-T275 WeakPolarHBondContact CA-O 3.41Å; Y269-T275 WeakPolarHBondContact CD2-O 3.35Å; Y269-M276 HydrophobicContact CD2-CE 3.98Å; Y269-M276 HydrophobicContact CD2-CG 4.05Å; Y269-M276 HydrophobicContact CG-CE 4.35Å; Y269-F302 HydrophobicContact CD2-CD1 4.03Å; Y269-F302 HydrophobicContact CD2-CE1 4.01Å; Y269-F302 AromaticContact CE2-CD1 3.48Å; Y269-F302 HydrophobicContact CE2-CD1 3.48Å; Y269-F302 VanDerWaalsContact CE2-CD1 3.48Å; Y269-F302 AromaticContact CE2-CE1 3.62Å; Y269-F302 HydrophobicContact CE2-CE1 3.62Å; Y269-A305 HydrophobicContact CD1-CB 3.89Å; Y269-A305 HydrophobicContact CG-CB 3.83Å; Y269-N306 PolarHBondContact OH-ND2 2.94Å; Y269-L309 HydrophobicContact CD1-CD1 4.41Å; Y269-L309 HydrophobicContact CD1-CD2 4.34Å; Y269-L309 HydrophobicContact CE1-CD1 4.22Å
270T96.3Very high96.9Very high17 Ų1731.9 Ų31.910%0.10417%0.169CC..EExtended strand (participates in β ladder)trans-112.9104.6173.1-45.80000108.6E272 Q273 D274 T275T270-E272 VanDerWaalsContact C-N 3.33Å; T270-E272 PolarHBondContact O-N 3.43Å; T270-Q273 PolarHBondContact O-N 3.29Å; T270-D274 PolarHBondContact O-N 3.46Å; T270-D274 VanDerWaalsContact O-N 3.07Å; T270-T275 PolarHBondContact N-O 3Å; T270-T275 PolarHBondContact O-N 3.16Å
271P94.4Very high96.7Very high49 Ų4931.8 Ų31.832%0.31817%0.169SC..THydrogen-bonded Turntrans-61.9-35.9-171.3-25.235.1000114.2Y269 Q273 D274 L309Y269-P271 HydrophobicContact CD1-CG 4.08Å; Y269-P271 HydrophobicContact CE1-CB 4.09Å; Y269-P271 HydrophobicContact CE1-CG 3.95Å; P271-Q273 PolarHBondContact O-N 2.82Å; P271-D274 PolarHBondContact O-N 3.37Å; P271-L309 HydrophobicContact CB-CD1 4.19Å; P271-L309 HydrophobicContact CG-CD1 3.57Å; P271-L309 HydrophobicContact CG-CD2 3.73Å; P271-L309 HydrophobicContact CG-CG 4.31Å
272E94.1Very high96.6Very high148 Ų14830.8 Ų30.869%0.69216%0.163SC*.THydrogen-bonded Turntrans-66.2-29.2-174-63.471.6-154.200112.4T270T270-E272 VanDerWaalsContact C-N 3.33Å; T270-E272 PolarHBondContact O-N 3.43Å
273Q93.3Very high96.5Very high122 Ų12230.7 Ų30.757%0.5716%0.163SC*.THydrogen-bonded Turntrans-110.6-1179.2-63.379.631.200113.3T270 P271 T275T270-Q273 PolarHBondContact O-N 3.29Å; P271-Q273 PolarHBondContact O-N 2.82Å; Q273-T275 VanDerWaalsContact C-N 3.26Å; Q273-T275 HydrophobicContact CB-CG2 3.92Å; Q273-T275 VanDerWaalsContact O-CG2 3.29Å; Q273-T275 WeakPolarHBondContact O-CG2 3.38Å; Q273-T275 PolarHBondContact O-N 2.87Å
274D97.1Very high96.5Very high46 Ų4630.8 Ų30.825%0.24616%0.164CC..THydrogen-bonded Turntrans48.748-173.6-162.741.5000112.6Y269 T270 P271 R286 F302Y269-D274 VanDerWaalsContact CE2-OD1 3.31Å; Y269-D274 WeakPolarHBondContact CE2-OD1 3.09Å; Y269-D274 PolarHBondContact OH-OD1 3.02Å; T270-D274 PolarHBondContact O-N 3.46Å; T270-D274 VanDerWaalsContact O-N 3.07Å; P271-D274 PolarHBondContact O-N 3.37Å; D274-R286 PolarHBondContact O-N 2.99Å; D274-R286 IonicContact OD1-CZ 3.44Å; D274-R286 IonicContact OD1-NE 2.8Å; D274-R286 IonicContact OD1-NH2 2.9Å; D274-R286 PolarHBondContact OD1-NH2 3.17Å; D274-R286 WeakPolarHBondContact OD2-CB 3.49Å; D274-R286 IonicContact OD2-CZ 3.72Å; D274-R286 IonicContact OD2-NE 3.22Å; D274-R286 PolarHBondContact OD2-NE 3.48Å; D274-R286 IonicContact OD2-NH2 3.76Å; D274-R286 PolarHBondContact OD2-NH2 3.26Å; D274-F302 WeakPolarHBondContact O-CE1 3.44Å; D274-F302 WeakPolarHBondContact OD1-CD1 3.46Å
275T97.9Very high96.4Very high17 Ų1732.8 Ų32.810%0.10417%0.174CC..EExtended strand (participates in β ladder)trans-125.8153-174.556.80000112.6Y269 T270 Q273 T283 L284 N285Y269-T275 WeakPolarHBondContact CA-O 3.41Å; Y269-T275 WeakPolarHBondContact CD2-O 3.35Å; T270-T275 PolarHBondContact N-O 3Å; T270-T275 PolarHBondContact O-N 3.16Å; Q273-T275 VanDerWaalsContact C-N 3.26Å; Q273-T275 HydrophobicContact CB-CG2 3.92Å; Q273-T275 VanDerWaalsContact O-CG2 3.29Å; Q273-T275 WeakPolarHBondContact O-CG2 3.38Å; Q273-T275 PolarHBondContact O-N 2.87Å; T275-T283 HydrophobicContact CG2-CG2 4.17Å; T275-L284 CarbonylContact C-O 3.49Å; T275-L284 WeakPolarHBondContact CA-O 3.35Å; T275-L284 WeakPolarHBondContact CB-O 3.36Å; T275-N285 HydrophobicContact CG2-CB 3.92Å
276M98.2Very high96.4Very high0 Ų034.6 Ų34.60%018%0.18CC..EExtended strand (participates in β ladder)trans-118.6142.2170.4-67.9179.1179.900110.5I265 Y269 T283 L284 M289 V301 F302 A305I265-M276 HydrophobicContact CD1-CB 4.21Å; I265-M276 HydrophobicContact CG1-CB 4.22Å; I265-M276 HydrophobicContact CG1-SD 3.98Å; Y269-M276 HydrophobicContact CD2-CE 3.98Å; Y269-M276 HydrophobicContact CD2-CG 4.05Å; Y269-M276 HydrophobicContact CG-CE 4.35Å; M276-T283 WeakPolarHBondContact O-CA 3.5Å; M276-L284 PolarHBondContact N-O 3.12Å; M276-L284 PolarHBondContact O-N 3.46Å; M276-M289 HydrophobicContact CB-CE 4.3Å; M276-M289 HydrophobicContact CB-SD 4.33Å; M276-M289 HydrophobicContact SD-CE 3.9Å; M276-V301 HydrophobicContact CE-CG1 4.09Å; M276-V301 HydrophobicContact SD-CG1 4.28Å; M276-F302 HydrophobicContact CE-CB 4.39Å; M276-F302 HydrophobicContact CE-CD1 3.89Å; M276-F302 HydrophobicContact CE-CD2 3.64Å; M276-F302 HydrophobicContact CE-CE1 4.04Å; M276-F302 HydrophobicContact CE-CE2 3.8Å; M276-F302 HydrophobicContact CE-CG 3.7Å; M276-F302 HydrophobicContact CE-CZ 4.01Å; M276-F302 HydrophobicContact CG-CE1 4.31Å; M276-F302 HydrophobicContact CG-CE2 4.41Å; M276-F302 HydrophobicContact CG-CZ 3.99Å; M276-F302 HydrophobicContact SD-CD2 4.22Å; M276-F302 HydrophobicContact SD-CE2 3.83Å; M276-F302 HydrophobicContact SD-CZ 4.02Å; M276-A305 HydrophobicContact CE-CB 3.77Å
277T97.8Very high96.4Very high0 Ų035.8 Ų35.80%019%0.187CC..EExtended strand (participates in β ladder)trans-114.5122.8-177-55.70000112.4L194 L197 K199 R268 L282 T283L194-T277 HydrophobicContact CD1-CG2 4.11Å; L197-T277 HydrophobicContact CD1-CG2 4Å; K199-T277 HydrophobicContact CG-CG2 4.27Å; R268-T277 VanDerWaalsContact CB-O 3.23Å; R268-T277 WeakPolarHBondContact CB-O 3.4Å; R268-T277 WeakPolarHBondContact CG-O 3.08Å; R268-T277 PolarHBondContact NH1-O 3.25Å; R268-T277 PolarHBondContact O-N 3.28Å; T277-L282 CarbonylContact C-O 3.3Å; T277-L282 WeakPolarHBondContact CA-O 3.33Å; T277-T283 WeakPolarHBondContact CG2-OG1 3.31Å; T277-T283 PolarHBondContact OG1-OG1 3.13Å
278F97.1Very high96.5Very high17 Ų1733.8 Ų33.88%0.07518%0.175CC..  trans-78167.7176.2-65.5-90.9000112.3L197 F220 L223 I265 D280 G281 L282 L284 M289L197-F278 WeakPolarHBondContact CD1-O 3.37Å; F220-F278 AromaticContact CD2-CE1 3.7Å; F220-F278 HydrophobicContact CD2-CE1 3.7Å; F220-F278 AromaticContact CD2-CZ 3.8Å; F220-F278 HydrophobicContact CD2-CZ 3.8Å; F220-F278 AromaticContact CE2-CE1 3.88Å; F220-F278 HydrophobicContact CE2-CE1 3.88Å; F220-F278 HydrophobicContact CE2-CZ 4.17Å; L223-F278 HydrophobicContact CB-CD1 4.48Å; L223-F278 HydrophobicContact CD1-CB 3.85Å; L223-F278 HydrophobicContact CD1-CD1 4.36Å; L223-F278 HydrophobicContact CD1-CG 4.04Å; I265-F278 HydrophobicContact CD1-CD1 4.05Å; I265-F278 HydrophobicContact CD1-CE1 3.98Å; I265-F278 HydrophobicContact CD1-CG 4.41Å; I265-F278 HydrophobicContact CD1-CZ 4.28Å; F278-D280 PolarHBondContact O-N 3.05Å; F278-G281 PolarHBondContact O-N 3.26Å; F278-L282 HydrophobicContact CB-CB 4.39Å; F278-L282 HydrophobicContact CD2-CB 4.43Å; F278-L282 HydrophobicContact CD2-CG 4.46Å; F278-L282 WeakPolarHBondContact CD2-O 3.46Å; F278-L282 PolarHBondContact N-O 3.21Å; F278-L284 HydrophobicContact CD2-CG 4.48Å; F278-L284 HydrophobicContact CE2-CB 4.46Å; F278-L284 HydrophobicContact CE2-CD1 3.76Å; F278-L284 HydrophobicContact CE2-CG 4.01Å; F278-M289 HydrophobicContact CE2-CE 4.42Å; F278-M289 HydrophobicContact CE2-SD 3.59Å; F278-M289 VanDerWaalsContact CE2-SD 3.59Å; F278-M289 HydrophobicContact CZ-CE 3.93Å; F278-M289 HydrophobicContact CZ-SD 3.62Å
279S93.6Very high96.5Very high50 Ų5033.7 Ų33.735%0.3517%0.174SC..THydrogen-bonded Turntrans-66.1-17.1-171.4-60.80000115.4L197L197-S279 VanDerWaalsContact CD2-O 3.3Å; L197-S279 WeakPolarHBondContact CD2-O 3.49Å
280D94.4Very high96.5Very high69 Ų6934 Ų3437%0.36918%0.177SC..THydrogen-bonded Turntrans-89.1-4173.173.4-31.9000113.1Y200 L223 F278 L282Y200-D280 WeakPolarHBondContact CE1-O 3.44Å; Y200-D280 PolarHBondContact OH-OD2 3.01Å; L223-D280 HydrophobicContact CD2-CB 3.74Å; L223-D280 VanDerWaalsContact CD2-CG 3.49Å; F278-D280 PolarHBondContact O-N 3.05Å; D280-L282 VanDerWaalsContact OD1-CB 3.24Å; D280-L282 WeakPolarHBondContact OD1-CB 3.4Å; D280-L282 PolarHBondContact OD1-N 3.22Å
281G94.3Very high96.6Very high0 Ų033.2 Ų33.20%017%0.172CC..SBendtrans99-6.9-175.900000114.7G198 K199 Y200 F278 T283G198-G281 WeakPolarHBondContact O-CA 3.5Å; K199-G281 WeakPolarHBondContact CA-O 3.22Å; Y200-G281 PolarHBondContact N-O 3.36Å; F278-G281 PolarHBondContact O-N 3.26Å; G281-T283 PolarHBondContact O-N 3.39Å; G281-T283 VanDerWaalsContact O-N 3.14Å; G281-T283 PolarHBondContact O-OG1 3.42Å
282L96.7Very high96.7Very high3 Ų330.9 Ų30.92%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-59.4119.8176.7179.761.8000109.6Y200 T202 K219 L223 T277 F278 D280 L284Y200-L282 HydrophobicContact CD2-CD1 4.32Å; Y200-L282 HydrophobicContact CE1-CB 4.13Å; Y200-L282 VanDerWaalsContact CE1-N 3.29Å; Y200-L282 HydrophobicContact CE2-CB 4.29Å; Y200-L282 HydrophobicContact CE2-CD1 3.67Å; T202-L282 HydrophobicContact CG2-CD1 4.12Å; K219-L282 HydrophobicContact CB-CD2 4.42Å; K219-L282 HydrophobicContact CD-CD2 4.48Å; L223-L282 HydrophobicContact CD1-CB 4.42Å; L223-L282 HydrophobicContact CD1-CD2 4Å; T277-L282 CarbonylContact C-O 3.3Å; T277-L282 WeakPolarHBondContact CA-O 3.33Å; F278-L282 HydrophobicContact CB-CB 4.39Å; F278-L282 HydrophobicContact CD2-CB 4.43Å; F278-L282 HydrophobicContact CD2-CG 4.46Å; F278-L282 WeakPolarHBondContact CD2-O 3.46Å; F278-L282 PolarHBondContact N-O 3.21Å; D280-L282 VanDerWaalsContact OD1-CB 3.24Å; D280-L282 WeakPolarHBondContact OD1-CB 3.4Å; D280-L282 PolarHBondContact OD1-N 3.22Å; L282-L284 HydrophobicContact CD1-CD2 3.84Å; L282-L284 HydrophobicContact CD2-CD1 4.4Å; L282-L284 HydrophobicContact CD2-CD2 4.19Å; L282-L284 HydrophobicContact CD2-CG 4.33Å; L282-L284 HydrophobicContact CG-CD2 3.88Å; L282-L284 HydrophobicContact CG-CG 4.09Å
283T97.3Very high96.8Very high12 Ų1223.9 Ų23.97%0.07412%0.124CC..EExtended strand (participates in β ladder)trans-112.6118.7-179.4-58.90000109.5Y200 T275 M276 T277 G281Y200-T283 PolarHBondContact O-N 2.98Å; T275-T283 HydrophobicContact CG2-CG2 4.17Å; M276-T283 WeakPolarHBondContact O-CA 3.5Å; T277-T283 WeakPolarHBondContact CG2-OG1 3.31Å; T277-T283 PolarHBondContact OG1-OG1 3.13Å; G281-T283 PolarHBondContact O-N 3.39Å; G281-T283 VanDerWaalsContact O-N 3.14Å; G281-T283 PolarHBondContact O-OG1 3.42Å
284L97.9Very high97Very high2 Ų219.1 Ų19.11%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-115.4136.6-176.9-61.5-169.6000110.3T202 L216 T275 M276 F278 L282 Q288 M289 A292T202-L284 HydrophobicContact CG2-CD2 3.82Å; L216-L284 HydrophobicContact CD2-CD2 4.35Å; T275-L284 CarbonylContact C-O 3.49Å; T275-L284 WeakPolarHBondContact CA-O 3.35Å; T275-L284 WeakPolarHBondContact CB-O 3.36Å; M276-L284 PolarHBondContact N-O 3.12Å; M276-L284 PolarHBondContact O-N 3.46Å; F278-L284 HydrophobicContact CD2-CG 4.48Å; F278-L284 HydrophobicContact CE2-CB 4.46Å; F278-L284 HydrophobicContact CE2-CD1 3.76Å; F278-L284 HydrophobicContact CE2-CG 4.01Å; L282-L284 HydrophobicContact CD1-CD2 3.84Å; L282-L284 HydrophobicContact CD2-CD1 4.4Å; L282-L284 HydrophobicContact CD2-CD2 4.19Å; L282-L284 HydrophobicContact CD2-CG 4.33Å; L282-L284 HydrophobicContact CG-CD2 3.88Å; L282-L284 HydrophobicContact CG-CG 4.09Å; L284-Q288 HydrophobicContact CB-CB 3.86Å; L284-Q288 HydrophobicContact CD1-CB 4.33Å; L284-Q288 HydrophobicContact CD2-CB 4.09Å; L284-Q288 HydrophobicContact CG-CB 4.31Å; L284-M289 HydrophobicContact CB-CG 3.96Å; L284-M289 HydrophobicContact CB-SD 3.87Å; L284-M289 HydrophobicContact CD1-SD 4.12Å; L284-A292 HydrophobicContact CD1-CB 4.26Å
285N97.3Very high97Very high43 Ų4317 Ų1723%0.239%0.09CC..EExtended strand (participates in β ladder)trans-74.3171.6170.176.120.9000111S206 T275 T287 Q288 M289S206-N285 PolarHBondContact O-ND2 3.04Å; T275-N285 HydrophobicContact CG2-CB 3.92Å; N285-T287 VanDerWaalsContact C-N 3.29Å; N285-T287 PolarHBondContact O-N 3.18Å; N285-T287 WeakPolarHBondContact OD1-CA 3.33Å; N285-T287 WeakPolarHBondContact OD1-CB 3.21Å; N285-T287 PolarHBondContact OD1-N 3.25Å; N285-Q288 VanDerWaalsContact N-OE1 3.1Å; N285-Q288 PolarHBondContact O-N 3.08Å; N285-Q288 WeakPolarHBondContact OD1-CG 3.44Å; N285-Q288 PolarHBondContact OD1-N 3.16Å; N285-M289 WeakPolarHBondContact O-CG 3.35Å; N285-M289 PolarHBondContact O-N 2.96Å
286R97.8Very high96.9Very high55 Ų5521.1 Ų21.121%0.20812%0.117CC..Hα-helixtrans-52.5-41.9177.9-173.6-175.2-65-98.4-6.4114.1D274 M289 H290 T298 D299 F302D274-R286 PolarHBondContact O-N 2.99Å; D274-R286 IonicContact OD1-CZ 3.44Å; D274-R286 IonicContact OD1-NE 2.8Å; D274-R286 IonicContact OD1-NH2 2.9Å; D274-R286 PolarHBondContact OD1-NH2 3.17Å; D274-R286 WeakPolarHBondContact OD2-CB 3.49Å; D274-R286 IonicContact OD2-CZ 3.72Å; D274-R286 IonicContact OD2-NE 3.22Å; D274-R286 PolarHBondContact OD2-NE 3.48Å; D274-R286 IonicContact OD2-NH2 3.76Å; D274-R286 PolarHBondContact OD2-NH2 3.26Å; R286-M289 PolarHBondContact O-N 2.55Å; R286-H290 PolarHBondContact O-N 3.41Å; R286-H290 VanDerWaalsContact O-N 3.1Å; R286-T298 HydrophobicContact CG-CG2 3.64Å; R286-T298 WeakPolarHBondContact O-CG2 3.37Å; R286-D299 IonicContact NH1-OD1 2.76Å; R286-D299 PolarHBondContact NH1-OD1 2.92Å; R286-F302 HydrophobicContact CB-CD1 4.48Å; R286-F302 HydrophobicContact CB-CE1 3.97Å; R286-F302 HydrophobicContact CB-CE2 4.4Å; R286-F302 HydrophobicContact CB-CZ 3.93Å; R286-F302 HydrophobicContact CG-CD1 4.49Å; R286-F302 HydrophobicContact CG-CD2 4.39Å; R286-F302 HydrophobicContact CG-CE1 4.38Å; R286-F302 HydrophobicContact CG-CE2 4.29Å; R286-F302 HydrophobicContact CG-CG 4.48Å; R286-F302 HydrophobicContact CG-CZ 4.29Å; R286-F302 VanDerWaalsContact CZ-CB 3.47Å; R286-F302 VanDerWaalsContact NH2-CD1 3.28Å
287T97.9Very high96.8Very high29 Ų2922 Ų2218%0.17812%0.122CC..Hα-helixtrans-65.4-43.9179.4-59.90000111.5S206 R208 R209 N285 H290 N291S206-T287 WeakPolarHBondContact O-CB 3.25Å; R208-T287 WeakPolarHBondContact O-CG2 3.17Å; R209-T287 HydrophobicContact CG-CG2 4.1Å; N285-T287 VanDerWaalsContact C-N 3.29Å; N285-T287 PolarHBondContact O-N 3.18Å; N285-T287 WeakPolarHBondContact OD1-CA 3.33Å; N285-T287 WeakPolarHBondContact OD1-CB 3.21Å; N285-T287 PolarHBondContact OD1-N 3.25Å; T287-H290 WeakPolarHBondContact O-CB 3.22Å; T287-H290 PolarHBondContact O-N 3.4Å; T287-N291 PolarHBondContact O-N 3.46Å; T287-N291 PolarHBondContact O-ND2 3.49Å; T287-N291 PolarHBondContact O-OD1 2.92Å
288Q98Very high96.9Very high8 Ų822 Ų224%0.03712%0.122CC..Hα-helixtrans-67.2-38.5177.5-67.7174.8-52.500111.7T202 N204 L216 L284 N285 H290 N291 A292T202-Q288 PolarHBondContact O-NE2 3.18Å; N204-Q288 PolarHBondContact O-NE2 3.04Å; L216-Q288 HydrophobicContact CD1-CB 4.21Å; L216-Q288 HydrophobicContact CD1-CG 4.42Å; L284-Q288 HydrophobicContact CB-CB 3.86Å; L284-Q288 HydrophobicContact CD1-CB 4.33Å; L284-Q288 HydrophobicContact CD2-CB 4.09Å; L284-Q288 HydrophobicContact CG-CB 4.31Å; N285-Q288 VanDerWaalsContact N-OE1 3.1Å; N285-Q288 PolarHBondContact O-N 3.08Å; N285-Q288 WeakPolarHBondContact OD1-CG 3.44Å; N285-Q288 PolarHBondContact OD1-N 3.16Å; Q288-H290 VanDerWaalsContact C-N 3.31Å; Q288-H290 PolarHBondContact O-N 3.25Å; Q288-N291 PolarHBondContact O-N 2.97Å; Q288-A292 VanDerWaalsContact O-CB 3.25Å; Q288-A292 WeakPolarHBondContact O-CB 3.4Å; Q288-A292 PolarHBondContact O-N 2.99Å
289M98.1Very high96.9Very high0 Ų024.4 Ų24.40%014%0.136CC..Hα-helixtrans-59.2-42.5173.5-72-66.2-69.500111.7I265 M276 F278 L284 N285 R286 F294 T298 F302I265-M289 HydrophobicContact CG1-CE 4.28Å; M276-M289 HydrophobicContact CB-CE 4.3Å; M276-M289 HydrophobicContact CB-SD 4.33Å; M276-M289 HydrophobicContact SD-CE 3.9Å; F278-M289 HydrophobicContact CE2-CE 4.42Å; F278-M289 HydrophobicContact CE2-SD 3.59Å; F278-M289 VanDerWaalsContact CE2-SD 3.59Å; F278-M289 HydrophobicContact CZ-CE 3.93Å; F278-M289 HydrophobicContact CZ-SD 3.62Å; L284-M289 HydrophobicContact CB-CG 3.96Å; L284-M289 HydrophobicContact CB-SD 3.87Å; L284-M289 HydrophobicContact CD1-SD 4.12Å; N285-M289 WeakPolarHBondContact O-CG 3.35Å; N285-M289 PolarHBondContact O-N 2.96Å; R286-M289 PolarHBondContact O-N 2.55Å; M289-F294 HydrophobicContact CE-CD2 3.94Å; M289-F294 HydrophobicContact CE-CE1 4.05Å; M289-F294 HydrophobicContact CE-CE2 3.38Å; M289-F294 HydrophobicContact CE-CG 4.49Å; M289-F294 HydrophobicContact CE-CZ 3.45Å; M289-F294 VanDerWaalsContact CE-CZ 3.45Å; M289-F294 WeakPolarHBondContact O-CB 3.17Å; M289-F294 WeakPolarHBondContact O-CD2 3.34Å; M289-F294 PolarHBondContact O-N 2.92Å; M289-F294 HydrophobicContact SD-CE2 4.46Å; M289-T298 HydrophobicContact CB-CG2 4.28Å; M289-F302 HydrophobicContact CB-CE2 3.85Å; M289-F302 HydrophobicContact CB-CZ 4.25Å; M289-F302 HydrophobicContact CG-CE2 3.83Å; M289-F302 HydrophobicContact CG-CZ 3.87Å
290H98.2Very high97.1Very high28 Ų2825.1 Ų25.113%0.1314%0.135CC..Iπ-helixtrans-58.3-51.8172.7175.3-76.6000111.6R209 V210 R286 T287 Q288 A292 G293 G295 T298R209-H290 HydrophobicContact CG-CB 4.17Å; V210-H290 PolarHBondContact O-CE1 3.45Å; V210-H290 PolarHBondContact O-ND1 3.03Å; R286-H290 PolarHBondContact O-N 3.41Å; R286-H290 VanDerWaalsContact O-N 3.1Å; T287-H290 WeakPolarHBondContact O-CB 3.22Å; T287-H290 PolarHBondContact O-N 3.4Å; Q288-H290 VanDerWaalsContact C-N 3.31Å; Q288-H290 PolarHBondContact O-N 3.25Å; H290-A292 VanDerWaalsContact C-N 3.29Å; H290-A292 PolarHBondContact O-N 3.1Å; H290-G293 PolarHBondContact O-N 3.46Å; H290-G295 VanDerWaalsContact CD2-C 3.46Å; H290-G295 PolarHBondContact CD2-O 3.35Å; H290-G295 PolarHBondContact O-N 3.43Å; H290-G295 VanDerWaalsContact O-N 3.12Å; H290-T298 WeakPolarHBondContact CA-OG1 3.47Å; H290-T298 HydrophobicContact CB-CG2 4.25Å; H290-T298 WeakPolarHBondContact CB-OG1 3.36Å; H290-T298 PolarHBondContact N-OG1 3.27Å
291N97.7Very high97.3Very high0 Ų022 Ų220%012%0.118CC..Iπ-helixtrans-68.6-26.3-175.6-62.5-12.3000112.9S205 R208 R209 V210 D213 L216 T287 Q288 G293S205-N291 PolarHBondContact O-ND2 3.47Å; R208-N291 PolarHBondContact O-ND2 2.97Å; R209-N291 VanDerWaalsContact CA-OD1 3.3Å; R209-N291 WeakPolarHBondContact CA-OD1 3.43Å; V210-N291 HydrophobicContact CG2-CB 4.01Å; V210-N291 PolarHBondContact N-OD1 3.24Å; V210-N291 PolarHBondContact O-OD1 3.32Å; D213-N291 HydrophobicContact CB-CB 4.08Å; D213-N291 PolarHBondContact N-O 3.08Å; L216-N291 HydrophobicContact CD1-CB 4.18Å; T287-N291 PolarHBondContact O-N 3.46Å; T287-N291 PolarHBondContact O-ND2 3.49Å; T287-N291 PolarHBondContact O-OD1 2.92Å; Q288-N291 PolarHBondContact O-N 2.97Å; N291-G293 PolarHBondContact O-N 3.45Å
292A96.9Very high97.5Very high0 Ų022 Ų220%012%0.118CC..Iπ-helixtrans-73.5-2.3176.200000113.9L216 F220 L284 Q288 H290L216-A292 HydrophobicContact CB-CB 3.98Å; F220-A292 HydrophobicContact CB-CB 4.18Å; F220-A292 WeakPolarHBondContact CD1-O 3.38Å; F220-A292 HydrophobicContact CG-CB 4.48Å; L284-A292 HydrophobicContact CD1-CB 4.26Å; Q288-A292 VanDerWaalsContact O-CB 3.25Å; Q288-A292 WeakPolarHBondContact O-CB 3.4Å; Q288-A292 PolarHBondContact O-N 2.99Å; H290-A292 VanDerWaalsContact C-N 3.29Å; H290-A292 PolarHBondContact O-N 3.1Å
293G96Very high97.6Very high1 Ų124 Ų241%0.0114%0.135CC..Iπ-helixtrans123-9.7173.100000115.2H290 N291 G295 R386 L390H290-G293 PolarHBondContact O-N 3.46Å; N291-G293 PolarHBondContact O-N 3.45Å; G293-G295 VanDerWaalsContact C-N 3.28Å; G293-G295 PolarHBondContact O-N 3.25Å; G293-R386 PolarHBondContact O-NE 2.6Å; G293-R386 PolarHBondContact O-NH2 2.94Å; G293-L390 WeakPolarHBondContact O-CD1 3.46Å
294F97.3Very high97.7Very high22 Ų2223.6 Ų23.610%0.09613%0.132CC..Iπ-helixtrans-63.5-35.9175.2-78.4-110.9000111.8F220 M289 L297 T298 V301F220-F294 HydrophobicContact CD2-CE2 4.12Å; F220-F294 HydrophobicContact CE2-CD2 4.29Å; F220-F294 AromaticContact CE2-CE2 3.39Å; F220-F294 HydrophobicContact CE2-CE2 3.39Å; F220-F294 HydrophobicContact CE2-CZ 4.06Å; F220-F294 HydrophobicContact CZ-CD2 4.4Å; F220-F294 AromaticContact CZ-CE2 3.75Å; F220-F294 HydrophobicContact CZ-CE2 3.75Å; F220-F294 HydrophobicContact CZ-CZ 4.36Å; M289-F294 HydrophobicContact CE-CD2 3.94Å; M289-F294 HydrophobicContact CE-CE1 4.05Å; M289-F294 HydrophobicContact CE-CE2 3.38Å; M289-F294 HydrophobicContact CE-CG 4.49Å; M289-F294 HydrophobicContact CE-CZ 3.45Å; M289-F294 VanDerWaalsContact CE-CZ 3.45Å; M289-F294 WeakPolarHBondContact O-CB 3.17Å; M289-F294 WeakPolarHBondContact O-CD2 3.34Å; M289-F294 PolarHBondContact O-N 2.92Å; M289-F294 HydrophobicContact SD-CE2 4.46Å; F294-L297 HydrophobicContact CB-CB 4.47Å; F294-L297 HydrophobicContact CD1-CB 4.44Å; F294-L297 WeakPolarHBondContact O-CB 3.38Å; F294-L297 PolarHBondContact O-N 2.93Å; F294-T298 WeakPolarHBondContact CB-OG1 3.23Å; F294-V301 HydrophobicContact CD1-CG2 4.11Å; F294-V301 HydrophobicContact CE1-CB 4.49Å; F294-V301 HydrophobicContact CE1-CG1 4.16Å; F294-V301 HydrophobicContact CE1-CG2 4.11Å
295G96.4Very high97.7Very high1 Ų123.5 Ų23.51%0.0113%0.132CC..THydrogen-bonded Turntrans52.3-127.4179.400000112.3H290 G293 L297 T298H290-G295 VanDerWaalsContact CD2-C 3.46Å; H290-G295 PolarHBondContact CD2-O 3.35Å; H290-G295 PolarHBondContact O-N 3.43Å; H290-G295 VanDerWaalsContact O-N 3.12Å; G293-G295 VanDerWaalsContact C-N 3.28Å; G293-G295 PolarHBondContact O-N 3.25Å; G295-L297 PolarHBondContact O-N 3.29Å; G295-L297 VanDerWaalsContact O-N 3.08Å; G295-T298 WeakPolarHBondContact O-CB 3.37Å; G295-T298 PolarHBondContact O-N 3.04Å; G295-T298 VanDerWaalsContact O-N 3.12Å; G295-T298 PolarHBondContact O-OG1 3.17Å
296P95.8Very high97.8Very high103 Ų10324.5 Ų24.567%0.66914%0.137SC*.THydrogen-bonded Turntrans-58.1-21.7178.6-25.635.3000115.5T298P296-T298 VanDerWaalsContact C-N 3.26Å; P296-T298 PolarHBondContact O-N 2.82Å
297L97.4Very high97.8Very high19 Ų1926 Ų2610%0.09915%0.147CC..Hα-helixtrans-70.4-23.4178.6-69.1172.3000113.3F294 G295 D299 L300 V301 K382 R386F294-L297 HydrophobicContact CB-CB 4.47Å; F294-L297 HydrophobicContact CD1-CB 4.44Å; F294-L297 WeakPolarHBondContact O-CB 3.38Å; F294-L297 PolarHBondContact O-N 2.93Å; G295-L297 PolarHBondContact O-N 3.29Å; G295-L297 VanDerWaalsContact O-N 3.08Å; L297-D299 VanDerWaalsContact C-N 3.27Å; L297-D299 PolarHBondContact O-N 2.93Å; L297-L300 HydrophobicContact CD2-CD1 4.49Å; L297-L300 PolarHBondContact O-N 3.27Å; L297-L300 VanDerWaalsContact O-N 3.08Å; L297-V301 HydrophobicContact CB-CG2 4.43Å; L297-V301 WeakPolarHBondContact O-CG2 3.47Å; L297-V301 PolarHBondContact O-N 3.28Å; L297-K382 HydrophobicContact CD2-CB 3.57Å; L297-R386 HydrophobicContact CD1-CB 3.46Å; L297-R386 VanDerWaalsContact CD1-CB 3.46Å; L297-R386 HydrophobicContact CD1-CG 3.78Å; L297-R386 HydrophobicContact CG-CB 4.18Å; L297-R386 HydrophobicContact CG-CG 4.44Å
298T98.4Very high97.8Very high0 Ų025.2 Ų25.20%014%0.141CC..Hα-helixtrans-51.6-48.1-174.2-59.10000111.6R286 M289 H290 F294 G295 P296 L300 V301 F302R286-T298 HydrophobicContact CG-CG2 3.64Å; R286-T298 WeakPolarHBondContact O-CG2 3.37Å; M289-T298 HydrophobicContact CB-CG2 4.28Å; H290-T298 WeakPolarHBondContact CA-OG1 3.47Å; H290-T298 HydrophobicContact CB-CG2 4.25Å; H290-T298 WeakPolarHBondContact CB-OG1 3.36Å; H290-T298 PolarHBondContact N-OG1 3.27Å; F294-T298 WeakPolarHBondContact CB-OG1 3.23Å; G295-T298 WeakPolarHBondContact O-CB 3.37Å; G295-T298 PolarHBondContact O-N 3.04Å; G295-T298 VanDerWaalsContact O-N 3.12Å; G295-T298 PolarHBondContact O-OG1 3.17Å; P296-T298 VanDerWaalsContact C-N 3.26Å; P296-T298 PolarHBondContact O-N 2.82Å; T298-L300 VanDerWaalsContact C-N 3.33Å; T298-L300 PolarHBondContact O-N 2.96Å; T298-V301 PolarHBondContact O-N 3.29Å; T298-F302 HydrophobicContact CG2-CD2 3.81Å; T298-F302 HydrophobicContact CG2-CE2 3.84Å; T298-F302 WeakPolarHBondContact O-CB 3.47Å; T298-F302 WeakPolarHBondContact O-CD2 3.37Å; T298-F302 PolarHBondContact O-N 2.94Å
299D97.8Very high97.6Very high68 Ų6828.4 Ų28.436%0.36416%0.159SC..Hα-helixtrans-69.3-33.2-175-64.2-42.1000112.1R209 R286 L297 A303R209-D299 IonicContact CZ-OD1 3.34Å; R209-D299 IonicContact CZ-OD2 4Å; R209-D299 IonicContact NH1-OD1 3.47Å; R209-D299 IonicContact NH1-OD2 3.51Å; R209-D299 PolarHBondContact NH1-OD2 3.3Å; R209-D299 IonicContact NH2-OD1 3.6Å; R209-D299 PolarHBondContact NH2-OD1 3.06Å; R209-D299 IonicContact NH2-OD2 2.69Å; R209-D299 PolarHBondContact NH2-OD2 2.87Å; R286-D299 IonicContact NH1-OD1 2.76Å; R286-D299 PolarHBondContact NH1-OD1 2.92Å; L297-D299 VanDerWaalsContact C-N 3.27Å; L297-D299 PolarHBondContact O-N 2.93Å; D299-A303 WeakPolarHBondContact O-CB 3.37Å; D299-A303 PolarHBondContact O-N 3.43Å
300L98.4Very high97.5Very high65 Ų6532 Ų3234%0.3418%0.182SC..Hα-helixtrans-68.9-45.6174.1-67.4173.8000112.2L297 T298 A303 F304 I379 K382L297-L300 HydrophobicContact CD2-CD1 4.49Å; L297-L300 PolarHBondContact O-N 3.27Å; L297-L300 VanDerWaalsContact O-N 3.08Å; T298-L300 VanDerWaalsContact C-N 3.33Å; T298-L300 PolarHBondContact O-N 2.96Å; L300-A303 PolarHBondContact O-N 3.15Å; L300-F304 WeakPolarHBondContact O-CB 3.42Å; L300-F304 PolarHBondContact O-N 2.82Å; L300-I379 HydrophobicContact CB-CG1 4.5Å; L300-K382 HydrophobicContact CD1-CD 3.55Å
301V98.6Very high97.3Very high2 Ų230.7 Ų30.71%0.01218%0.176CC..Hα-helixtrans-64.2-45-179.3173.30000110.6I265 C266 M276 F294 L297 T298 F304 A305 I379I265-V301 HydrophobicContact CG2-CG1 4.32Å; C266-V301 PolarHBondContact SG-O 3.5Å; M276-V301 HydrophobicContact CE-CG1 4.09Å; M276-V301 HydrophobicContact SD-CG1 4.28Å; F294-V301 HydrophobicContact CD1-CG2 4.11Å; F294-V301 HydrophobicContact CE1-CB 4.49Å; F294-V301 HydrophobicContact CE1-CG1 4.16Å; F294-V301 HydrophobicContact CE1-CG2 4.11Å; L297-V301 HydrophobicContact CB-CG2 4.43Å; L297-V301 WeakPolarHBondContact O-CG2 3.47Å; L297-V301 PolarHBondContact O-N 3.28Å; T298-V301 PolarHBondContact O-N 3.29Å; V301-F304 PolarHBondContact O-N 2.89Å; V301-A305 PolarHBondContact O-N 3.11Å; V301-I379 HydrophobicContact CG2-CG2 3.92Å
302F98.6Very high97.1Very high1 Ų136.6 Ų36.60%0.00420%0.203CC..Hα-helixtrans-68.2-35.6175.5-84.6-105.4000112.8Y269 D274 M276 R286 M289 T298 F304 A305 N306Y269-F302 HydrophobicContact CD2-CD1 4.03Å; Y269-F302 HydrophobicContact CD2-CE1 4.01Å; Y269-F302 AromaticContact CE2-CD1 3.48Å; Y269-F302 HydrophobicContact CE2-CD1 3.48Å; Y269-F302 VanDerWaalsContact CE2-CD1 3.48Å; Y269-F302 AromaticContact CE2-CE1 3.62Å; Y269-F302 HydrophobicContact CE2-CE1 3.62Å; D274-F302 WeakPolarHBondContact O-CE1 3.44Å; D274-F302 WeakPolarHBondContact OD1-CD1 3.46Å; M276-F302 HydrophobicContact CE-CB 4.39Å; M276-F302 HydrophobicContact CE-CD1 3.89Å; M276-F302 HydrophobicContact CE-CD2 3.64Å; M276-F302 HydrophobicContact CE-CE1 4.04Å; M276-F302 HydrophobicContact CE-CE2 3.8Å; M276-F302 HydrophobicContact CE-CG 3.7Å; M276-F302 HydrophobicContact CE-CZ 4.01Å; M276-F302 HydrophobicContact CG-CE1 4.31Å; M276-F302 HydrophobicContact CG-CE2 4.41Å; M276-F302 HydrophobicContact CG-CZ 3.99Å; M276-F302 HydrophobicContact SD-CD2 4.22Å; M276-F302 HydrophobicContact SD-CE2 3.83Å; M276-F302 HydrophobicContact SD-CZ 4.02Å; R286-F302 HydrophobicContact CB-CD1 4.48Å; R286-F302 HydrophobicContact CB-CE1 3.97Å; R286-F302 HydrophobicContact CB-CE2 4.4Å; R286-F302 HydrophobicContact CB-CZ 3.93Å; R286-F302 HydrophobicContact CG-CD1 4.49Å; R286-F302 HydrophobicContact CG-CD2 4.39Å; R286-F302 HydrophobicContact CG-CE1 4.38Å; R286-F302 HydrophobicContact CG-CE2 4.29Å; R286-F302 HydrophobicContact CG-CG 4.48Å; R286-F302 HydrophobicContact CG-CZ 4.29Å; R286-F302 VanDerWaalsContact CZ-CB 3.47Å; R286-F302 VanDerWaalsContact NH2-CD1 3.28Å; M289-F302 HydrophobicContact CB-CE2 3.85Å; M289-F302 HydrophobicContact CB-CZ 4.25Å; M289-F302 HydrophobicContact CG-CE2 3.83Å; M289-F302 HydrophobicContact CG-CZ 3.87Å; T298-F302 HydrophobicContact CG2-CD2 3.81Å; T298-F302 HydrophobicContact CG2-CE2 3.84Å; T298-F302 WeakPolarHBondContact O-CB 3.47Å; T298-F302 WeakPolarHBondContact O-CD2 3.37Å; T298-F302 PolarHBondContact O-N 2.94Å; F302-F304 VanDerWaalsContact C-N 3.32Å; F302-A305 PolarHBondContact O-N 3.39Å; F302-N306 PolarHBondContact O-N 3.29Å; F302-N306 PolarHBondContact O-ND2 3.28Å
303A98.5Very high97.1Very high44 Ų4438.4 Ų38.436%0.36421%0.212SC..Hα-helixtrans-63.2-41.117300000111.1D299 L300 N306 Q307D299-A303 WeakPolarHBondContact O-CB 3.37Å; D299-A303 PolarHBondContact O-N 3.43Å; L300-A303 PolarHBondContact O-N 3.15Å; A303-N306 PolarHBondContact O-N 3.39Å; A303-Q307 WeakPolarHBondContact O-CG 3.42Å; A303-Q307 PolarHBondContact O-N 2.84Å; A303-Q307 VanDerWaalsContact O-N 3.08Å
304F98.7Very high97Very high4 Ų440.5 Ų40.52%0.01822%0.223CC..Hα-helixtrans-63.8-45.2174.9-175.1-109.2000111.9L263 C266 L300 V301 F302 N306 Q307 L308 K372 D375 L376 I379L263-F304 HydrophobicContact CD1-CE1 4.42Å; C266-F304 HydrophobicContact CB-CD1 4.17Å; L300-F304 WeakPolarHBondContact O-CB 3.42Å; L300-F304 PolarHBondContact O-N 2.82Å; V301-F304 PolarHBondContact O-N 2.89Å; F302-F304 VanDerWaalsContact C-N 3.32Å; F304-N306 VanDerWaalsContact C-N 3.28Å; F304-N306 PolarHBondContact O-N 3.48Å; F304-Q307 WeakPolarHBondContact O-CA 3.29Å; F304-Q307 WeakPolarHBondContact O-CB 3.17Å; F304-Q307 PolarHBondContact O-N 2.91Å; F304-L308 HydrophobicContact CD1-CD1 4.24Å; F304-L308 HydrophobicContact CD1-CG 4.42Å; F304-L308 HydrophobicContact CE1-CD1 3.85Å; F304-L308 HydrophobicContact CE1-CD2 4.17Å; F304-L308 HydrophobicContact CE1-CG 4.16Å; F304-L308 HydrophobicContact CE2-CD2 4.37Å; F304-L308 HydrophobicContact CZ-CD1 4.44Å; F304-L308 HydrophobicContact CZ-CD2 3.94Å; F304-L308 HydrophobicContact CZ-CG 4.41Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 3.36Å; F304-L308 VanDerWaalsContact O-N 3.08Å; F304-K372 HydrophobicContact CE2-CB 4.05Å; F304-K372 HydrophobicContact CE2-CD 4.11Å; F304-K372 HydrophobicContact CZ-CB 4.14Å; F304-D375 HydrophobicContact CD2-CB 4.06Å; F304-D375 HydrophobicContact CE2-CB 3.93Å; F304-L376 HydrophobicContact CE1-CD1 3.87Å; F304-L376 HydrophobicContact CE2-CB 4.42Å; F304-L376 HydrophobicContact CZ-CB 4Å; F304-L376 HydrophobicContact CZ-CD1 4.11Å; F304-I379 HydrophobicContact CB-CD1 3.48Å; F304-I379 VanDerWaalsContact CB-CD1 3.48Å; F304-I379 HydrophobicContact CD1-CD1 4.3Å; F304-I379 HydrophobicContact CD2-CD1 3.82Å; F304-I379 HydrophobicContact CG-CD1 3.62Å
305A98.6Very high97Very high1 Ų141.1 Ų41.11%0.00823%0.228CC..Hα-helixtrans-55.1-44174.200000112.1C266 Y269 M276 V301 F302 Q307 L308 L309C266-A305 HydrophobicContact CB-CB 3.89Å; Y269-A305 HydrophobicContact CD1-CB 3.89Å; Y269-A305 HydrophobicContact CG-CB 3.83Å; M276-A305 HydrophobicContact CE-CB 3.77Å; V301-A305 PolarHBondContact O-N 3.11Å; F302-A305 PolarHBondContact O-N 3.39Å; A305-Q307 VanDerWaalsContact C-N 3.3Å; A305-Q307 PolarHBondContact O-N 3.28Å; A305-L308 WeakPolarHBondContact O-CB 3.42Å; A305-L308 PolarHBondContact O-N 2.87Å; A305-L308 VanDerWaalsContact O-N 3.08Å; A305-L309 PolarHBondContact O-N 3.42Å
306N98.1Very high97Very high63 Ų6341.1 Ų41.134%0.33723%0.228SC..Hα-helixtrans-62.1-34.6174.4-83.9-77000113.1Y269 F302 A303 F304 L308 L309 P310Y269-N306 PolarHBondContact OH-ND2 2.94Å; F302-N306 PolarHBondContact O-N 3.29Å; F302-N306 PolarHBondContact O-ND2 3.28Å; A303-N306 PolarHBondContact O-N 3.39Å; F304-N306 VanDerWaalsContact C-N 3.28Å; F304-N306 PolarHBondContact O-N 3.48Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 2.96Å; N306-L309 PolarHBondContact O-N 3.15Å; N306-P310 WeakPolarHBondContact O-CD 3.44Å
307Q98.1Very high97.1Very high87 Ų8736.3 Ų36.341%0.40720%0.196SC..Hα-helixtrans-71.1-22.5174.7-67.1177.626.300113.5A303 F304 A305 P310A303-Q307 WeakPolarHBondContact O-CG 3.42Å; A303-Q307 PolarHBondContact O-N 2.84Å; A303-Q307 VanDerWaalsContact O-N 3.08Å; F304-Q307 WeakPolarHBondContact O-CA 3.29Å; F304-Q307 WeakPolarHBondContact O-CB 3.17Å; F304-Q307 PolarHBondContact O-N 2.91Å; A305-Q307 VanDerWaalsContact C-N 3.3Å; A305-Q307 PolarHBondContact O-N 3.28Å; Q307-P310 WeakPolarHBondContact O-CD 3.46Å
308L97.9Very high97.2Very high12 Ų1235.5 Ų35.56%0.06319%0.192CC..Hα-helixtrans-78-27174.9-60.9-175.2000112.4L263 C266 F304 A305 N306 L311 M313 K372L263-L308 HydrophobicContact CD1-CD1 3.98Å; C266-L308 HydrophobicContact CB-CD1 3.8Å; F304-L308 HydrophobicContact CD1-CD1 4.24Å; F304-L308 HydrophobicContact CD1-CG 4.42Å; F304-L308 HydrophobicContact CE1-CD1 3.85Å; F304-L308 HydrophobicContact CE1-CD2 4.17Å; F304-L308 HydrophobicContact CE1-CG 4.16Å; F304-L308 HydrophobicContact CE2-CD2 4.37Å; F304-L308 HydrophobicContact CZ-CD1 4.44Å; F304-L308 HydrophobicContact CZ-CD2 3.94Å; F304-L308 HydrophobicContact CZ-CG 4.41Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 3.36Å; F304-L308 VanDerWaalsContact O-N 3.08Å; A305-L308 WeakPolarHBondContact O-CB 3.42Å; A305-L308 PolarHBondContact O-N 2.87Å; A305-L308 VanDerWaalsContact O-N 3.08Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 2.96Å; L308-L311 HydrophobicContact CD2-CD1 3.94Å; L308-L311 WeakPolarHBondContact O-CA 3.24Å; L308-L311 VanDerWaalsContact O-CB 3.23Å; L308-L311 WeakPolarHBondContact O-CB 3.42Å; L308-L311 PolarHBondContact O-N 2.95Å; L308-M313 HydrophobicContact CD2-SD 4.16Å; L308-K372 HydrophobicContact CD2-CB 4.38Å; L308-K372 HydrophobicContact CD2-CD 4.17Å; L308-K372 HydrophobicContact CD2-CG 3.93Å
309L94.9Very high97.2Very high76 Ų7635.5 Ų35.540%0.39819%0.192SC..G310 helixtrans-54-48.3-177.5-58.5172.2000113.3Y269 P271 A305 N306 L311 E312Y269-L309 HydrophobicContact CD1-CD1 4.41Å; Y269-L309 HydrophobicContact CD1-CD2 4.34Å; Y269-L309 HydrophobicContact CE1-CD1 4.22Å; P271-L309 HydrophobicContact CB-CD1 4.19Å; P271-L309 HydrophobicContact CG-CD1 3.57Å; P271-L309 HydrophobicContact CG-CD2 3.73Å; P271-L309 HydrophobicContact CG-CG 4.31Å; A305-L309 PolarHBondContact O-N 3.42Å; N306-L309 PolarHBondContact O-N 3.15Å; L309-L311 PolarHBondContact O-N 3.46Å; L309-L311 VanDerWaalsContact O-N 3.09Å; L309-E312 PolarHBondContact O-N 3.11Å; L309-E312 VanDerWaalsContact O-N 3.1Å
310P95.1Very high97.2Very high76 Ų7632.3 Ų32.349%0.49418%0.175SC..G310 helixtrans-70-7.5179.4-17.533.4000113.8N306 Q307N306-P310 WeakPolarHBondContact O-CD 3.44Å; Q307-P310 WeakPolarHBondContact O-CD 3.46Å
311L94.9Very high97.2Very high0 Ų029.3 Ų29.30%016%0.159CC..G310 helixtrans-81.1-23.6174.6-55.7-177.3000112L308 L309 M313 R359 M365 K368 M369 K372L308-L311 HydrophobicContact CD2-CD1 3.94Å; L308-L311 WeakPolarHBondContact O-CA 3.24Å; L308-L311 VanDerWaalsContact O-CB 3.23Å; L308-L311 WeakPolarHBondContact O-CB 3.42Å; L308-L311 PolarHBondContact O-N 2.95Å; L309-L311 PolarHBondContact O-N 3.46Å; L309-L311 VanDerWaalsContact O-N 3.09Å; L311-M313 HydrophobicContact CB-CG 3.76Å; L311-M313 HydrophobicContact CB-SD 4.47Å; L311-M313 HydrophobicContact CD1-SD 4.21Å; L311-M313 PolarHBondContact O-N 3.44Å; L311-R359 PolarHBondContact O-NH2 3.28Å; L311-M365 HydrophobicContact CB-CE 4.33Å; L311-M365 HydrophobicContact CD2-CE 3.77Å; L311-K368 HydrophobicContact CD2-CB 4.45Å; L311-K368 HydrophobicContact CD2-CD 3.64Å; L311-K368 HydrophobicContact CD2-CG 3.84Å; L311-M369 HydrophobicContact CB-CE 4.28Å; L311-M369 HydrophobicContact CB-CG 4.49Å; L311-M369 HydrophobicContact CD1-CG 4Å; L311-M369 HydrophobicContact CD2-CG 4.4Å; L311-K372 HydrophobicContact CD1-CD 4.25Å; L311-K372 HydrophobicContact CD1-CG 3.64Å
312E92.9Very high97.3Very high124 Ų12429.2 Ų29.258%0.57916%0.158SC*.  trans50.149.7-179.2-59.5169.9159.900110.4L309 R358 R359L309-E312 PolarHBondContact O-N 3.11Å; L309-E312 VanDerWaalsContact O-N 3.1Å; E312-R358 PolarHBondContact O-NH2 3.29Å; E312-R359 PolarHBondContact O-NH2 3.09Å
313M96.4Very high97.3Very high38 Ų3829.1 Ų29.119%0.18716%0.158CC..  trans-67.4138.1-176.9-62-173.360.200110.6L308 L311 E317 L321 M369L308-M313 HydrophobicContact CD2-SD 4.16Å; L311-M313 HydrophobicContact CB-CG 3.76Å; L311-M313 HydrophobicContact CB-SD 4.47Å; L311-M313 HydrophobicContact CD1-SD 4.21Å; L311-M313 PolarHBondContact O-N 3.44Å; M313-E317 VanDerWaalsContact CA-OE2 3.31Å; M313-E317 WeakPolarHBondContact CA-OE2 3.3Å; M313-E317 HydrophobicContact CE-CB 4.14Å; M313-L321 HydrophobicContact CE-CB 4.38Å; M313-L321 HydrophobicContact CE-CD2 3.85Å; M313-M369 HydrophobicContact CB-CE 4.48Å; M313-M369 HydrophobicContact CG-CE 3.62Å
314D95Very high97.3Very high44 Ų4427.3 Ų27.324%0.23514%0.142CC..  trans-103.2178.2169.268.6-8.7000111.3A316 E317 T318 Y354 R358D314-A316 VanDerWaalsContact C-N 3.25Å; D314-A316 PolarHBondContact O-N 2.82Å; D314-E317 PolarHBondContact N-OE2 3.49Å; D314-E317 PolarHBondContact O-N 3.07Å; D314-E317 WeakPolarHBondContact OD1-CB 3.34Å; D314-E317 VanDerWaalsContact OD1-CG 3.29Å; D314-E317 WeakPolarHBondContact OD1-CG 3.49Å; D314-E317 PolarHBondContact OD1-N 3.17Å; D314-T318 WeakPolarHBondContact O-CB 3.18Å; D314-T318 PolarHBondContact O-N 3.37Å; D314-T318 PolarHBondContact O-OG1 3.21Å; D314-Y354 PolarHBondContact OD2-OH 3Å; D314-R358 IonicContact OD1-CZ 3.83Å; D314-R358 IonicContact OD1-NH1 3.35Å; D314-R358 PolarHBondContact OD1-NH1 2.84Å; D314-R358 IonicContact OD1-NH2 3.79Å; D314-R358 PolarHBondContact OD1-NH2 3.28Å; D314-R358 IonicContact OD2-CZ 3.25Å; D314-R358 VanDerWaalsContact OD2-CZ 3.23Å; D314-R358 IonicContact OD2-NE 3.31Å; D314-R358 IonicContact OD2-NH1 2.62Å; D314-R358 PolarHBondContact OD2-NH1 2.79Å; D314-R358 IonicContact OD2-NH2 3.29Å
315D95.4Very high97.3Very high36 Ų3627.2 Ų27.219%0.19314%0.142CC..Hα-helixtrans-61.3-34-177.3-65.6-22.7000112.4R184 Q188 S193 G319R184-D315 HydrophobicContact CG-CB 4.26Å; Q188-D315 HydrophobicContact CG-CB 4.01Å; Q188-D315 PolarHBondContact NE2-OD2 2.76Å; S193-D315 PolarHBondContact OG-OD1 2.93Å; S193-D315 VanDerWaalsContact OG-OD1 3.13Å; S193-D315 PolarHBondContact OG-OD2 2.62Å; D315-G319 PolarHBondContact O-N 3.37Å
316A97.6Very high97.3Very high1 Ų127.1 Ų27.11%0.00814%0.142CC..Hα-helixtrans-68.3-46.9178.200000111.5I180 R184 D314 G319 L320 Y354I180-A316 HydrophobicContact CG2-CB 4.19Å; R184-A316 HydrophobicContact CB-CB 4.05Å; R184-A316 HydrophobicContact CG-CB 4.06Å; D314-A316 VanDerWaalsContact C-N 3.25Å; D314-A316 PolarHBondContact O-N 2.82Å; A316-G319 PolarHBondContact O-N 3.48Å; A316-L320 WeakPolarHBondContact O-CB 3.2Å; A316-L320 VanDerWaalsContact O-CG 3.28Å; A316-L320 WeakPolarHBondContact O-CG 3.49Å; A316-L320 PolarHBondContact O-N 2.87Å; A316-Y354 HydrophobicContact CB-CD1 4.29Å; A316-Y354 HydrophobicContact CB-CE1 3.5Å; A316-Y354 VanDerWaalsContact CB-CE1 3.5Å; A316-Y354 HydrophobicContact CB-CE2 4.45Å
317E98.4Very high97.3Very high1 Ų124.1 Ų24.11%0.00513%0.126CC..Hα-helixtrans-65-39.6176.1-72.8171.9159.800112.3M313 D314 L320 L321 L351 Y354 V355 R358 R359 M369M313-E317 VanDerWaalsContact CA-OE2 3.31Å; M313-E317 WeakPolarHBondContact CA-OE2 3.3Å; M313-E317 HydrophobicContact CE-CB 4.14Å; D314-E317 PolarHBondContact N-OE2 3.49Å; D314-E317 PolarHBondContact O-N 3.07Å; D314-E317 WeakPolarHBondContact OD1-CB 3.34Å; D314-E317 VanDerWaalsContact OD1-CG 3.29Å; D314-E317 WeakPolarHBondContact OD1-CG 3.49Å; D314-E317 PolarHBondContact OD1-N 3.17Å; E317-L320 PolarHBondContact O-N 3.15Å; E317-L321 VanDerWaalsContact O-CB 3.27Å; E317-L321 WeakPolarHBondContact O-CB 3.43Å; E317-L321 PolarHBondContact O-N 3.39Å; E317-L351 HydrophobicContact CB-CD1 4.21Å; E317-L351 HydrophobicContact CG-CD1 4Å; E317-Y354 HydrophobicContact CG-CD1 3.85Å; E317-Y354 HydrophobicContact CG-CE1 4.04Å; E317-V355 HydrophobicContact CG-CG2 4.1Å; E317-V355 VanDerWaalsContact OE1-CG2 3.26Å; E317-V355 WeakPolarHBondContact OE1-CG2 3.27Å; E317-R358 IonicContact OE1-CZ 2.63Å; E317-R358 VanDerWaalsContact OE1-CZ 3.29Å; E317-R358 IonicContact OE1-NH1 3.41Å; E317-R358 PolarHBondContact OE1-NH1 3.12Å; E317-R358 IonicContact OE1-NH2 2.93Å; E317-R358 PolarHBondContact OE1-NH2 3.14Å; E317-R358 IonicContact OE2-CZ 3.39Å; E317-R358 VanDerWaalsContact OE2-CZ 3.31Å; E317-R358 IonicContact OE2-NH1 3.23Å; E317-R358 PolarHBondContact OE2-NH1 3.08Å; E317-R358 IonicContact OE2-NH2 2.63Å; E317-R358 PolarHBondContact OE2-NH2 3.15Å; E317-R359 IonicContact OE1-CZ 2.81Å; E317-R359 IonicContact OE1-NH1 2.79Å; E317-R359 PolarHBondContact OE1-NH1 3.31Å; E317-R359 IonicContact OE1-NH2 2.74Å; E317-R359 PolarHBondContact OE1-NH2 3.21Å; E317-R359 IonicContact OE2-CZ 3.9Å; E317-R359 IonicContact OE2-NH1 3.78Å; E317-R359 IonicContact OE2-NH2 2.91Å; E317-R359 PolarHBondContact OE2-NH2 3.44Å; E317-M369 HydrophobicContact CB-CE 4.28Å; E317-M369 HydrophobicContact CG-CE 4.14Å; E317-M369 WeakPolarHBondContact OE1-CE 3.13Å; E317-M369 WeakPolarHBondContact OE2-CE 3.44Å
318T98.4Very high97.2Very high3 Ų320.2 Ų20.22%0.01811%0.107CC..Hα-helixtrans-65.7-43.1177.2-53.90000111L263 T267 D314 L321 S322L263-T318 HydrophobicContact CD2-CG2 4.47Å; L263-T318 HydrophobicContact CG-CG2 4.35Å; T267-T318 HydrophobicContact CG2-CG2 3.84Å; D314-T318 WeakPolarHBondContact O-CB 3.18Å; D314-T318 PolarHBondContact O-N 3.37Å; D314-T318 PolarHBondContact O-OG1 3.21Å; T318-L321 PolarHBondContact O-N 3.41Å; T318-S322 WeakPolarHBondContact O-CB 3.38Å; T318-S322 PolarHBondContact O-N 3.43Å; T318-S322 PolarHBondContact O-OG 3.41Å
319G98.6Very high97.1Very high0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-61.4-48.2174.800000112.4V183 D315 A316 S322 A323V183-G319 VanDerWaalsContact CG1-C 3.42Å; D315-G319 PolarHBondContact O-N 3.37Å; A316-G319 PolarHBondContact O-N 3.48Å; G319-S322 WeakPolarHBondContact O-CB 3.44Å; G319-S322 PolarHBondContact O-N 3.29Å; G319-A323 WeakPolarHBondContact O-CB 3.4Å; G319-A323 PolarHBondContact O-N 3.27Å
320L98.8Very high97.1Very high0 Ų022.6 Ų22.60%012%0.123CC..Hα-helixtrans-63.3-43.7177.6-72.7165.6000111.9I180 V183 A316 E317 S322 A323 I324 L347 A350 L351I180-L320 HydrophobicContact CG1-CD1 4.27Å; I180-L320 HydrophobicContact CG2-CD1 4.44Å; V183-L320 HydrophobicContact CB-CD2 4.24Å; V183-L320 HydrophobicContact CG1-CD2 4.06Å; V183-L320 HydrophobicContact CG1-CG 4.16Å; V183-L320 HydrophobicContact CG2-CD2 4.28Å; A316-L320 WeakPolarHBondContact O-CB 3.2Å; A316-L320 VanDerWaalsContact O-CG 3.28Å; A316-L320 WeakPolarHBondContact O-CG 3.49Å; A316-L320 PolarHBondContact O-N 2.87Å; E317-L320 PolarHBondContact O-N 3.15Å; L320-S322 VanDerWaalsContact C-N 3.31Å; L320-S322 PolarHBondContact O-N 3.05Å; L320-A323 PolarHBondContact O-N 3.05Å; L320-I324 WeakPolarHBondContact O-CD1 3.44Å; L320-I324 VanDerWaalsContact O-CG1 3.24Å; L320-I324 WeakPolarHBondContact O-CG1 3.39Å; L320-I324 PolarHBondContact O-N 3.45Å; L320-L347 HydrophobicContact CD2-CD2 3.99Å; L320-A350 HydrophobicContact CD2-CB 4.16Å; L320-L351 HydrophobicContact CB-CB 4.23Å; L320-L351 HydrophobicContact CB-CD1 4.05Å; L320-L351 HydrophobicContact CD1-CB 4.17Å; L320-L351 HydrophobicContact CD1-CD1 4.15Å
321L98.6Very high97.1Very high2 Ų221.3 Ų21.31%0.0111%0.108CC..Hα-helixtrans-64.2-37.8177.3-160.472000111.6L263 M313 E317 T318 I324 C325 L351 I373L263-L321 HydrophobicContact CD1-CD2 4.28Å; L263-L321 HydrophobicContact CD2-CB 4.2Å; L263-L321 HydrophobicContact CD2-CD2 4.04Å; L263-L321 HydrophobicContact CD2-CG 4.29Å; M313-L321 HydrophobicContact CE-CB 4.38Å; M313-L321 HydrophobicContact CE-CD2 3.85Å; E317-L321 VanDerWaalsContact O-CB 3.27Å; E317-L321 WeakPolarHBondContact O-CB 3.43Å; E317-L321 PolarHBondContact O-N 3.39Å; T318-L321 PolarHBondContact O-N 3.41Å; L321-I324 PolarHBondContact O-N 3.05Å; L321-C325 PolarHBondContact O-N 3.43Å; L321-C325 PolarHBondContact O-SG 3.27Å; L321-L351 HydrophobicContact CD1-CD2 4.09Å; L321-I373 HydrophobicContact CD1-CD1 3.83Å; L321-I373 HydrophobicContact CD1-CG1 3.87Å; L321-I373 HydrophobicContact CG-CD1 4.49Å; L321-I373 HydrophobicContact CG-CG1 4.28Å
322S98.8Very high96.9Very high0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-63.7-43.1173.1-56.60000111.7T318 G319 L320 C325 L326T318-S322 WeakPolarHBondContact O-CB 3.38Å; T318-S322 PolarHBondContact O-N 3.43Å; T318-S322 PolarHBondContact O-OG 3.41Å; G319-S322 WeakPolarHBondContact O-CB 3.44Å; G319-S322 PolarHBondContact O-N 3.29Å; L320-S322 VanDerWaalsContact C-N 3.31Å; L320-S322 PolarHBondContact O-N 3.05Å; S322-C325 PolarHBondContact O-N 3.37Å; S322-L326 PolarHBondContact O-N 2.76Å
323A98.8Very high97Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-65.4-39.2177.900000112.2V183 F234 L238 G319 L320 L326 L327 L347V183-A323 HydrophobicContact CG1-CB 4.45Å; F234-A323 HydrophobicContact CZ-CB 4.28Å; L238-A323 HydrophobicContact CD1-CB 3.77Å; L238-A323 HydrophobicContact CD2-CB 3.87Å; L238-A323 HydrophobicContact CG-CB 4.49Å; G319-A323 WeakPolarHBondContact O-CB 3.4Å; G319-A323 PolarHBondContact O-N 3.27Å; L320-A323 PolarHBondContact O-N 3.05Å; A323-L326 PolarHBondContact O-N 3.34Å; A323-L327 PolarHBondContact O-N 2.96Å; A323-L347 HydrophobicContact CB-CD1 3.82Å; A323-L347 HydrophobicContact CB-CD2 4.44Å
324I98.7Very high97Very high5 Ų527.3 Ų27.33%0.02614%0.141CC..Hα-helixtrans-64.9-39.9174.1-68160.4000111.1L320 L321 L326 Q344 L347 L348 L351 L370 I373L320-I324 WeakPolarHBondContact O-CD1 3.44Å; L320-I324 VanDerWaalsContact O-CG1 3.24Å; L320-I324 WeakPolarHBondContact O-CG1 3.39Å; L320-I324 PolarHBondContact O-N 3.45Å; L321-I324 PolarHBondContact O-N 3.05Å; I324-L326 VanDerWaalsContact C-N 3.3Å; I324-L326 PolarHBondContact O-N 2.88Å; I324-Q344 HydrophobicContact CG2-CG 4.43Å; I324-Q344 PolarHBondContact O-NE2 3.33Å; I324-L347 HydrophobicContact CG1-CB 4.01Å; I324-L348 HydrophobicContact CD1-CD2 3.95Å; I324-L348 HydrophobicContact CD1-CG 4.28Å; I324-L348 HydrophobicContact CG1-CD2 4.33Å; I324-L348 HydrophobicContact CG1-CG 4.31Å; I324-L348 HydrophobicContact CG2-CD2 4.07Å; I324-L351 HydrophobicContact CD1-CB 4.21Å; I324-L351 HydrophobicContact CD1-CD2 3.64Å; I324-L370 HydrophobicContact CG2-CD1 4.39Å; I324-I373 HydrophobicContact CG2-CD1 3.75Å
325C98.4Very high97.2Very high2 Ų231.5 Ų31.51%0.01416%0.159CC..Hα-helixtrans-64.9-35.7175.2-66.40000112.5A256 D259 L321 S322 R331A256-C325 WeakPolarHBondContact CB-O 3.29Å; D259-C325 HydrophobicContact CB-CB 4.37Å; L321-C325 PolarHBondContact O-N 3.43Å; L321-C325 PolarHBondContact O-SG 3.27Å; S322-C325 PolarHBondContact O-N 3.37Å; C325-R331 PolarHBondContact O-NH2 3.28Å
326L98.6Very high97.2Very high0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-71.5-55.4179.5-179.564.9000112.5A235 L238 F241 L252 L253 A256 I260 S322 A323 I324 C328A235-L326 HydrophobicContact CB-CD2 3.48Å; A235-L326 VanDerWaalsContact CB-CD2 3.48Å; L238-L326 HydrophobicContact CD1-CD2 3.66Å; F241-L326 HydrophobicContact CD2-CD2 4.11Å; F241-L326 HydrophobicContact CE2-CD1 4.42Å; F241-L326 HydrophobicContact CE2-CD2 3.94Å; F241-L326 HydrophobicContact CE2-CG 4.21Å; L252-L326 HydrophobicContact CB-CD1 4.26Å; L252-L326 WeakPolarHBondContact CD2-O 3.37Å; L253-L326 HydrophobicContact CD2-CD1 3.94Å; L253-L326 HydrophobicContact CG-CD1 4.22Å; A256-L326 HydrophobicContact CB-CB 4.42Å; A256-L326 HydrophobicContact CB-CD1 4.09Å; I260-L326 HydrophobicContact CD1-CB 4.15Å; I260-L326 HydrophobicContact CD1-CD1 4.37Å; S322-L326 PolarHBondContact O-N 2.76Å; A323-L326 PolarHBondContact O-N 3.34Å; I324-L326 VanDerWaalsContact C-N 3.3Å; I324-L326 PolarHBondContact O-N 2.88Å; L326-C328 PolarHBondContact O-N 2.88Å
327L98.4Very high97.2Very high0 Ų034.7 Ų34.70%018%0.178CC..SBendtrans-85.391.6-177.7-70.8163.4000108.7F241 L244 L252 A323 V340 L343 Q344 L347F241-L327 HydrophobicContact CD2-CD2 4.06Å; L244-L327 HydrophobicContact CD1-CD2 4.07Å; L252-L327 HydrophobicContact CD1-CD2 4.3Å; A323-L327 PolarHBondContact O-N 2.96Å; L327-V340 HydrophobicContact CB-CG1 4.35Å; L327-V340 HydrophobicContact CD2-CG1 4.42Å; L327-L343 HydrophobicContact CD1-CB 4.41Å; L327-L343 HydrophobicContact CD2-CB 4.32Å; L327-L343 HydrophobicContact CD2-CD1 4.37Å; L327-Q344 HydrophobicContact CB-CB 4.21Å; L327-Q344 HydrophobicContact CB-CG 4.42Å; L327-Q344 WeakPolarHBondContact O-CB 3.34Å; L327-Q344 WeakPolarHBondContact O-CG 3.36Å; L327-Q344 PolarHBondContact O-NE2 3.22Å; L327-L347 HydrophobicContact CD1-CD1 3.43Å; L327-L347 VanDerWaalsContact CD1-CD1 3.43Å
328C96.8Very high97.2Very high4 Ų441 Ų413%0.02721%0.212CC..  trans-134.4116-178.2-1750000109.2L326 D330 R331 R377L326-C328 PolarHBondContact O-N 2.88Å; C328-D330 PolarHBondContact O-N 3.38Å; C328-R331 HydrophobicContact CB-CG 4.45Å; C328-R331 WeakPolarHBondContact O-CG 3.25Å; C328-R331 PolarHBondContact O-N 3.35Å; C328-R377 PolarHBondContact SG-NH2 2.9Å
329G95.4Very high97.2Very high10 Ų1043.9 Ų43.910%0.10322%0.224CC..THydrogen-bonded Turntrans-68.7-15.3-179.800000114.3R331 D341G329-R331 PolarHBondContact O-N 2.91Å; G329-R331 VanDerWaalsContact O-N 3.16Å; G329-D341 WeakPolarHBondContact CA-OD1 3.43Å; G329-D341 PolarHBondContact N-OD1 3.38Å
330D94.8Very high97.2Very high128 Ų12843.9 Ų43.968%0.68422%0.224SC*.THydrogen-bonded Turntrans-72.60.9177.2-58.4-33000114.3C328C328-D330 PolarHBondContact O-N 3.38Å
331R94.6Very high97.1Very high49 Ų4946.6 Ų46.619%0.18524%0.239CC..  trans-73.1140.1178.6-56.8-47.8-176.4155.90.3110.1T251 L252 A255 D259 C325 C328 G329 L334T251-R331 HydrophobicContact CG2-CB 4.18Å; L252-R331 HydrophobicContact CD2-CG 3.97Å; A255-R331 HydrophobicContact CB-CG 3.95Å; A255-R331 PolarHBondContact O-NH1 3.03Å; A255-R331 PolarHBondContact O-NH2 3.21Å; D259-R331 IonicContact OD2-NH2 3.46Å; C325-R331 PolarHBondContact O-NH2 3.28Å; C328-R331 HydrophobicContact CB-CG 4.45Å; C328-R331 WeakPolarHBondContact O-CG 3.25Å; C328-R331 PolarHBondContact O-N 3.35Å; G329-R331 PolarHBondContact O-N 2.91Å; G329-R331 VanDerWaalsContact O-N 3.16Å; R331-L334 HydrophobicContact CB-CD1 3.89Å; R331-L334 HydrophobicContact CB-CG 4.05Å
332Q92.3Very high97.1Very high139 Ų13951.9 Ų51.965%0.6527%0.266SS*.THydrogen-bonded Turntrans-66.6154.8173-59.2-176.134.400109.6T251 L334T251-Q332 WeakPolarHBondContact CG2-O 3.44Å; Q332-L334 VanDerWaalsContact C-N 3.28Å; Q332-L334 PolarHBondContact O-N 3.43Å
333D94.3Very high97.1Very high122 Ų12253.5 Ų53.565%0.65227%0.274SS*.THydrogen-bonded Turntrans61.126.3176.4-50.7-33.4000116.2
334L97.1Very high97Very high27 Ų2754.9 Ų54.914%0.14128%0.281CS..  trans-79.9132.1167.7-69.6175.6000111.3D248 T251 L252 R331 Q332 A337 V340D248-L334 HydrophobicContact CB-CD2 3.95Å; D248-L334 WeakPolarHBondContact OD1-CA 3.29Å; T251-L334 HydrophobicContact CG2-CD2 3.83Å; T251-L334 HydrophobicContact CG2-CG 4.27Å; L252-L334 HydrophobicContact CD2-CD1 4.24Å; L252-L334 HydrophobicContact CD2-CD2 4.02Å; L252-L334 HydrophobicContact CG-CD2 4.02Å; R331-L334 HydrophobicContact CB-CD1 3.89Å; R331-L334 HydrophobicContact CB-CG 4.05Å; Q332-L334 VanDerWaalsContact C-N 3.28Å; Q332-L334 PolarHBondContact O-N 3.43Å; L334-A337 HydrophobicContact CB-CB 4.05Å; L334-A337 HydrophobicContact CD1-CB 4.26Å; L334-V340 HydrophobicContact CD1-CG2 4.23Å
335E97.6Very high97Very high133 Ų13360.7 Ų60.762%0.62131%0.308SS*.SBendtrans-75.6-42.6172.7-62.9177.4159.900111T245 D248T245-E335 VanDerWaalsContact CB-OE2 3.24Å; T245-E335 WeakPolarHBondContact CB-OE2 3.26Å; T245-E335 VanDerWaalsContact CG2-OE2 3.28Å; T245-E335 WeakPolarHBondContact CG2-OE2 3.29Å; T245-E335 PolarHBondContact OG1-OE2 2.81Å; D248-E335 PolarHBondContact OD1-N 2.9Å
336E96.6Very high96.9Very high71 Ų7163 Ų6333%0.33232%0.322SS..SBendtrans-119.553.5-177.3-58.3-174.3107.100112.5T245 D248 D338 K339 V340T245-E336 HydrophobicContact CG2-CG 4.31Å; D248-E336 PolarHBondContact OD2-N 2.96Å; E336-D338 VanDerWaalsContact C-N 3.35Å; E336-D338 PolarHBondContact O-N 2.92Å; E336-K339 HydrophobicContact CB-CB 3.94Å; E336-K339 HydrophobicContact CB-CD 4.2Å; E336-K339 WeakPolarHBondContact O-CB 3.25Å; E336-K339 PolarHBondContact O-N 3.22Å; E336-K339 IonicContact OE1-NZ 3.38Å; E336-K339 PolarHBondContact OE1-NZ 2.81Å; E336-K339 WeakPolarHBondContact OE2-CD 3.3Å; E336-K339 IonicContact OE2-NZ 2.86Å; E336-K339 PolarHBondContact OE2-NZ 2.95Å; E336-V340 PolarHBondContact O-N 3.14Å
337A97.6Very high96.9Very high33 Ų3363.2 Ų63.227%0.27332%0.324SS..Hα-helixtrans-52-45.5-176.900000114.1L334 K339 V340 D341L334-A337 HydrophobicContact CB-CB 4.05Å; L334-A337 HydrophobicContact CD1-CB 4.26Å; A337-K339 VanDerWaalsContact C-N 3.25Å; A337-K339 PolarHBondContact O-N 3.03Å; A337-V340 WeakPolarHBondContact O-CB 3.4Å; A337-V340 PolarHBondContact O-N 3.32Å; A337-D341 PolarHBondContact O-N 2.64Å; A337-D341 VanDerWaalsContact O-N 3.13Å
338D97.9Very high96.9Very high132 Ų13265.3 Ų65.371%0.70634%0.335SS*.Hα-helixtrans-59-36.5178.5-66.8-27.6000112.4E336 V340 D341 I342E336-D338 VanDerWaalsContact C-N 3.35Å; E336-D338 PolarHBondContact O-N 2.92Å; D338-V340 VanDerWaalsContact C-N 3.35Å; D338-D341 PolarHBondContact O-N 3.02Å; D338-I342 WeakPolarHBondContact O-CD1 3.49Å; D338-I342 VanDerWaalsContact O-CG1 3.27Å; D338-I342 WeakPolarHBondContact O-CG1 3.37Å; D338-I342 PolarHBondContact O-N 3.36Å
339K98.1Very high96.8Very high64 Ų6469 Ų6928%0.27835%0.351SS..Hα-helixtrans-70.4-34.1178.5-174.4179.8170.5-170.90111.2T243 L244 E336 A337 I342 L343T243-K339 PolarHBondContact O-NZ 2.9Å; L244-K339 HydrophobicContact CD2-CB 4.47Å; L244-K339 HydrophobicContact CD2-CD 3.93Å; L244-K339 HydrophobicContact CD2-CG 3.99Å; E336-K339 HydrophobicContact CB-CB 3.94Å; E336-K339 HydrophobicContact CB-CD 4.2Å; E336-K339 WeakPolarHBondContact O-CB 3.25Å; E336-K339 PolarHBondContact O-N 3.22Å; E336-K339 IonicContact OE1-NZ 3.38Å; E336-K339 PolarHBondContact OE1-NZ 2.81Å; E336-K339 WeakPolarHBondContact OE2-CD 3.3Å; E336-K339 IonicContact OE2-NZ 2.86Å; E336-K339 PolarHBondContact OE2-NZ 2.95Å; A337-K339 VanDerWaalsContact C-N 3.25Å; A337-K339 PolarHBondContact O-N 3.03Å; K339-I342 PolarHBondContact O-N 3.46Å; K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.07Å
340V98.6Very high96.9Very high0 Ų068.5 Ų68.50%035%0.346CS..Hα-helixtrans-64.1-43.6174179.30000110.6L244 L252 L327 L334 E336 A337 D338 L343 Q344L244-V340 HydrophobicContact CD1-CG2 4.16Å; L244-V340 HydrophobicContact CD2-CG2 4.05Å; L252-V340 HydrophobicContact CD1-CG1 4.16Å; L252-V340 HydrophobicContact CD1-CG2 4.05Å; L252-V340 HydrophobicContact CD2-CG1 3.93Å; L327-V340 HydrophobicContact CB-CG1 4.35Å; L327-V340 HydrophobicContact CD2-CG1 4.42Å; L334-V340 HydrophobicContact CD1-CG2 4.23Å; E336-V340 PolarHBondContact O-N 3.14Å; A337-V340 WeakPolarHBondContact O-CB 3.4Å; A337-V340 PolarHBondContact O-N 3.32Å; D338-V340 VanDerWaalsContact C-N 3.35Å; V340-L343 WeakPolarHBondContact O-CB 3.41Å; V340-L343 PolarHBondContact O-N 3.46Å; V340-Q344 PolarHBondContact O-N 2.82Å
341D97.9Very high97Very high58 Ų5862.4 Ų62.431%0.3131%0.314SS..Hα-helixtrans-63.8-44177-75.2-23.6000111.8G329 A337 D338 L343 Q344 E345G329-D341 WeakPolarHBondContact CA-OD1 3.43Å; G329-D341 PolarHBondContact N-OD1 3.38Å; A337-D341 PolarHBondContact O-N 2.64Å; A337-D341 VanDerWaalsContact O-N 3.13Å; D338-D341 PolarHBondContact O-N 3.02Å; D341-L343 PolarHBondContact O-N 3.32Å; D341-Q344 PolarHBondContact O-N 3.38Å; D341-E345 WeakPolarHBondContact O-CG 3.38Å; D341-E345 PolarHBondContact O-N 3.06Å
342I97.9Very high97.1Very high112 Ų11262 Ų6257%0.57431%0.314SS*.Hα-helixtrans-57.3-36.9173.8-69.9165.1000111.6D338 K339 P346D338-I342 WeakPolarHBondContact O-CD1 3.49Å; D338-I342 VanDerWaalsContact O-CG1 3.27Å; D338-I342 WeakPolarHBondContact O-CG1 3.37Å; D338-I342 PolarHBondContact O-N 3.36Å; K339-I342 PolarHBondContact O-N 3.46Å; I342-P346 WeakPolarHBondContact O-CD 3.4Å
343L97.9Very high97.1Very high35 Ų3556.4 Ų56.418%0.18329%0.288CS..Hα-helixtrans-73.3-28.9175.4-71.9177.5000113.1L244 L327 K339 V340 D341 P346L244-L343 HydrophobicContact CD1-CD1 4.04Å; L244-L343 HydrophobicContact CD2-CD1 3.79Å; L244-L343 HydrophobicContact CG-CD1 3.87Å; L327-L343 HydrophobicContact CD1-CB 4.41Å; L327-L343 HydrophobicContact CD2-CB 4.32Å; L327-L343 HydrophobicContact CD2-CD1 4.37Å; K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.07Å; V340-L343 WeakPolarHBondContact O-CB 3.41Å; V340-L343 PolarHBondContact O-N 3.46Å; D341-L343 PolarHBondContact O-N 3.32Å; L343-P346 WeakPolarHBondContact O-CD 3.49Å; L343-P346 WeakPolarHBondContact O-CG 3.36Å
344Q98.3Very high97.2Very high29 Ų2952.5 Ų52.514%0.13626%0.264CS..Hα-helixtrans-78.4-38.9-179.9-165.6-163.563.200112.7I324 L327 V340 D341 L347 L348I324-Q344 HydrophobicContact CG2-CG 4.43Å; I324-Q344 PolarHBondContact O-NE2 3.33Å; L327-Q344 HydrophobicContact CB-CB 4.21Å; L327-Q344 HydrophobicContact CB-CG 4.42Å; L327-Q344 WeakPolarHBondContact O-CB 3.34Å; L327-Q344 WeakPolarHBondContact O-CG 3.36Å; L327-Q344 PolarHBondContact O-NE2 3.22Å; V340-Q344 PolarHBondContact O-N 2.82Å; D341-Q344 PolarHBondContact O-N 3.38Å; Q344-L347 WeakPolarHBondContact O-CA 3.33Å; Q344-L347 WeakPolarHBondContact O-CB 3.44Å; Q344-L347 PolarHBondContact O-N 2.97Å; Q344-L348 HydrophobicContact CG-CD1 4.21Å; Q344-L348 HydrophobicContact CG-CG 4.45Å; Q344-L348 PolarHBondContact O-N 3.17Å; Q344-L348 VanDerWaalsContact O-N 3.1Å
345E97.2Very high97.1Very high126 Ų12651.2 Ų51.259%0.58926%0.257SS*.Hα-helixtrans-46.6-51.2-178.8-77.5-176.8179.400114.8D341 L347 L348 E349D341-E345 WeakPolarHBondContact O-CG 3.38Å; D341-E345 PolarHBondContact O-N 3.06Å; E345-L347 PolarHBondContact O-N 3.02Å; E345-L348 WeakPolarHBondContact O-CB 3.3Å; E345-L348 PolarHBondContact O-N 3.31Å; E345-E349 PolarHBondContact O-N 2.83Å
346P96.9Very high96.8Very high50 Ų5047.1 Ų47.133%0.32524%0.236SC..Hα-helixtrans-66.7-25.5-179.726.7-35.9000113M179 I342 L343 A350M179-P346 HydrophobicContact CE-CB 3.84Å; M179-P346 HydrophobicContact CE-CG 4.25Å; M179-P346 HydrophobicContact SD-CB 3.96Å; M179-P346 HydrophobicContact SD-CG 4.49Å; I342-P346 WeakPolarHBondContact O-CD 3.4Å; L343-P346 WeakPolarHBondContact O-CD 3.49Å; L343-P346 WeakPolarHBondContact O-CG 3.36Å; P346-A350 WeakPolarHBondContact O-CB 3.46Å; P346-A350 PolarHBondContact O-N 2.84Å
347L98.2Very high96.5Very high6 Ų648.5 Ų48.53%0.03124%0.241CC..Hα-helixtrans-72.8-39.2175-61.5168.8000111.7M179 V183 L320 A323 I324 L327 Q344 E345 A350 L351M179-L347 HydrophobicContact CG-CD2 4.36Å; M179-L347 HydrophobicContact SD-CD2 4.01Å; V183-L347 HydrophobicContact CG2-CD2 3.94Å; L320-L347 HydrophobicContact CD2-CD2 3.99Å; A323-L347 HydrophobicContact CB-CD1 3.82Å; A323-L347 HydrophobicContact CB-CD2 4.44Å; I324-L347 HydrophobicContact CG1-CB 4.01Å; L327-L347 HydrophobicContact CD1-CD1 3.43Å; L327-L347 VanDerWaalsContact CD1-CD1 3.43Å; Q344-L347 WeakPolarHBondContact O-CA 3.33Å; Q344-L347 WeakPolarHBondContact O-CB 3.44Å; Q344-L347 PolarHBondContact O-N 2.97Å; E345-L347 PolarHBondContact O-N 3.02Å; L347-A350 PolarHBondContact O-N 3.19Å; L347-L351 WeakPolarHBondContact O-CB 3.5Å; L347-L351 PolarHBondContact O-N 3.04Å
348L97.9Very high96.2Very high43 Ų4351 Ų5123%0.22524%0.244CC..Hα-helixtrans-62-46.4173.6-78.4162.7000111.2I324 Q344 E345 L351 K352 L370I324-L348 HydrophobicContact CD1-CD2 3.95Å; I324-L348 HydrophobicContact CD1-CG 4.28Å; I324-L348 HydrophobicContact CG1-CD2 4.33Å; I324-L348 HydrophobicContact CG1-CG 4.31Å; I324-L348 HydrophobicContact CG2-CD2 4.07Å; Q344-L348 HydrophobicContact CG-CD1 4.21Å; Q344-L348 HydrophobicContact CG-CG 4.45Å; Q344-L348 PolarHBondContact O-N 3.17Å; Q344-L348 VanDerWaalsContact O-N 3.1Å; E345-L348 WeakPolarHBondContact O-CB 3.3Å; E345-L348 PolarHBondContact O-N 3.31Å; L348-L351 PolarHBondContact O-N 3.07Å; L348-K352 WeakPolarHBondContact O-CB 3.27Å; L348-K352 PolarHBondContact O-N 3.42Å; L348-L370 HydrophobicContact CD2-CD1 3.64Å; L348-L370 HydrophobicContact CD2-CD2 4.21Å
349E95.9Very high95.9Very high81 Ų8145.7 Ų45.738%0.37921%0.214SC..Hα-helixtrans-67.7-40.5177.9-169.259-151.300111.2E345 L351 K352 I353E345-E349 PolarHBondContact O-N 2.83Å; E349-L351 PolarHBondContact O-N 3.14Å; E349-K352 VanDerWaalsContact CD-NZ 3.29Å; E349-K352 WeakPolarHBondContact O-CB 3.49Å; E349-K352 PolarHBondContact O-N 3.31Å; E349-K352 IonicContact OE1-NZ 2.78Å; E349-K352 PolarHBondContact OE1-NZ 2.96Å; E349-K352 IonicContact OE2-NZ 2.88Å; E349-K352 PolarHBondContact OE2-NZ 3.03Å; E349-I353 HydrophobicContact CG-CD1 3.88Å; E349-I353 HydrophobicContact CG-CG1 4.37Å; E349-I353 VanDerWaalsContact O-CG1 3.31Å; E349-I353 WeakPolarHBondContact O-CG1 3.41Å; E349-I353 PolarHBondContact O-N 3.38Å
350A96.9Very high95.3Very high0 Ų046.7 Ų46.70%023%0.227CC..Hα-helixtrans-57.2-48173.500000111.9T176 I180 L320 P346 L347 K352 I353 Y354T176-A350 HydrophobicContact CG2-CB 3.81Å; I180-A350 HydrophobicContact CD1-CB 4.21Å; I180-A350 HydrophobicContact CG1-CB 3.8Å; L320-A350 HydrophobicContact CD2-CB 4.16Å; P346-A350 WeakPolarHBondContact O-CB 3.46Å; P346-A350 PolarHBondContact O-N 2.84Å; L347-A350 PolarHBondContact O-N 3.19Å; A350-K352 PolarHBondContact O-N 3.32Å; A350-I353 PolarHBondContact O-N 3.07Å; A350-Y354 WeakPolarHBondContact O-CB 3.46Å; A350-Y354 PolarHBondContact O-N 2.97Å
351L97.5Very high94.7Very high1 Ų155.4 Ų55.41%0.00527%0.267CS..Hα-helixtrans-60.9-45.8176.6-179.463.5000111.2E317 L320 L321 I324 L347 L348 E349 I353 Y354 V355 F366E317-L351 HydrophobicContact CB-CD1 4.21Å; E317-L351 HydrophobicContact CG-CD1 4Å; L320-L351 HydrophobicContact CB-CB 4.23Å; L320-L351 HydrophobicContact CB-CD1 4.05Å; L320-L351 HydrophobicContact CD1-CB 4.17Å; L320-L351 HydrophobicContact CD1-CD1 4.15Å; L321-L351 HydrophobicContact CD1-CD2 4.09Å; I324-L351 HydrophobicContact CD1-CB 4.21Å; I324-L351 HydrophobicContact CD1-CD2 3.64Å; L347-L351 WeakPolarHBondContact O-CB 3.5Å; L347-L351 PolarHBondContact O-N 3.04Å; L348-L351 PolarHBondContact O-N 3.07Å; E349-L351 PolarHBondContact O-N 3.14Å; L351-I353 PolarHBondContact O-N 2.66Å; L351-Y354 PolarHBondContact O-N 3.43Å; L351-V355 HydrophobicContact CD1-CG2 3.71Å; L351-V355 HydrophobicContact CG-CG2 4.12Å; L351-V355 WeakPolarHBondContact O-CB 3.25Å; L351-V355 WeakPolarHBondContact O-CG2 3.23Å; L351-V355 PolarHBondContact O-N 2.7Å; L351-F366 HydrophobicContact CB-CE2 4.32Å; L351-F366 HydrophobicContact CD2-CD2 4.33Å; L351-F366 HydrophobicContact CD2-CE2 4.15Å; L351-F366 HydrophobicContact CG-CD2 4.07Å; L351-F366 HydrophobicContact CG-CE2 4.13Å
352K96.2Very high94.3Very high41 Ų4157 Ų5718%0.17827%0.271CS..Hα-helixtrans-57.4-51.3178.1174.7179.4149.8-132.60112.1L348 E349 A350 R356 F366L348-K352 WeakPolarHBondContact O-CB 3.27Å; L348-K352 PolarHBondContact O-N 3.42Å; E349-K352 VanDerWaalsContact CD-NZ 3.29Å; E349-K352 WeakPolarHBondContact O-CB 3.49Å; E349-K352 PolarHBondContact O-N 3.31Å; E349-K352 IonicContact OE1-NZ 2.78Å; E349-K352 PolarHBondContact OE1-NZ 2.96Å; E349-K352 IonicContact OE2-NZ 2.88Å; E349-K352 PolarHBondContact OE2-NZ 3.03Å; A350-K352 PolarHBondContact O-N 3.32Å; K352-R356 WeakPolarHBondContact O-CB 3.28Å; K352-R356 VanDerWaalsContact O-CG 3.25Å; K352-R356 WeakPolarHBondContact O-CG 3.41Å; K352-R356 PolarHBondContact O-N 3.18Å; K352-F366 VanDerWaalsContact CA-CD2 3.44Å; K352-F366 HydrophobicContact CB-CD1 3.97Å; K352-F366 HydrophobicContact CB-CD2 3.83Å; K352-F366 HydrophobicContact CB-CE1 3.88Å; K352-F366 HydrophobicContact CB-CE2 3.72Å; K352-F366 HydrophobicContact CB-CG 3.95Å; K352-F366 HydrophobicContact CB-CZ 3.75Å; K352-F366 HydrophobicContact CD-CD1 4.34Å; K352-F366 HydrophobicContact CD-CE1 4.08Å; K352-F366 HydrophobicContact CG-CD1 3.88Å; K352-F366 HydrophobicContact CG-CE1 4.01Å; K352-F366 HydrophobicContact CG-CG 4.17Å; K352-F366 HydrophobicContact CG-CZ 4.39Å
353I93.4Very high93.8Very high21 Ų2154.5 Ų54.511%0.10826%0.263CS..Hα-helixtrans-66.6-44.5-178.1-59.8169.1000109.7Y170 L172 E349 A350 L351 R356 K357Y170-I353 HydrophobicContact CD1-CG2 4.35Å; L172-I353 HydrophobicContact CD2-CB 3.69Å; L172-I353 HydrophobicContact CD2-CD1 4.43Å; L172-I353 HydrophobicContact CD2-CG2 3.25Å; L172-I353 HydrophobicContact CG-CG2 3.67Å; E349-I353 HydrophobicContact CG-CD1 3.88Å; E349-I353 HydrophobicContact CG-CG1 4.37Å; E349-I353 VanDerWaalsContact O-CG1 3.31Å; E349-I353 WeakPolarHBondContact O-CG1 3.41Å; E349-I353 PolarHBondContact O-N 3.38Å; A350-I353 PolarHBondContact O-N 3.07Å; L351-I353 PolarHBondContact O-N 2.66Å; I353-R356 PolarHBondContact O-N 3.5Å; I353-K357 VanDerWaalsContact O-CB 3.3Å; I353-K357 WeakPolarHBondContact O-CB 3.24Å; I353-K357 PolarHBondContact O-N 2.8Å
354Y95.1Very high93.6Very high39 Ų3958 Ų5815%0.15328%0.278CS..Hα-helixtrans-60.5-49.2-179.3-170.9-106.5000112.7I180 D314 A316 E317 A350 L351 R356 K357 R358I180-Y354 HydrophobicContact CD1-CD2 4.03Å; I180-Y354 HydrophobicContact CD1-CG 4.36Å; I180-Y354 HydrophobicContact CG2-CD2 3.91Å; I180-Y354 HydrophobicContact CG2-CE2 4.04Å; I180-Y354 HydrophobicContact CG2-CG 4.38Å; D314-Y354 PolarHBondContact OD2-OH 3Å; A316-Y354 HydrophobicContact CB-CD1 4.29Å; A316-Y354 HydrophobicContact CB-CE1 3.5Å; A316-Y354 VanDerWaalsContact CB-CE1 3.5Å; A316-Y354 HydrophobicContact CB-CE2 4.45Å; E317-Y354 HydrophobicContact CG-CD1 3.85Å; E317-Y354 HydrophobicContact CG-CE1 4.04Å; A350-Y354 WeakPolarHBondContact O-CB 3.46Å; A350-Y354 PolarHBondContact O-N 2.97Å; L351-Y354 PolarHBondContact O-N 3.43Å; Y354-R356 VanDerWaalsContact C-N 3.31Å; Y354-R356 PolarHBondContact O-N 3.47Å; Y354-K357 PolarHBondContact O-N 2.74Å; Y354-R358 PolarHBondContact O-N 3.46Å
355V94.9Very high93.4Very high0 Ų056.8 Ų56.80%027%0.272CS..Hα-helixtrans-59.4-43.9179.2172.40000110.9E317 L351 R358 R359 M365 F366 M369E317-V355 HydrophobicContact CG-CG2 4.1Å; E317-V355 VanDerWaalsContact OE1-CG2 3.26Å; E317-V355 WeakPolarHBondContact OE1-CG2 3.27Å; L351-V355 HydrophobicContact CD1-CG2 3.71Å; L351-V355 HydrophobicContact CG-CG2 4.12Å; L351-V355 WeakPolarHBondContact O-CB 3.25Å; L351-V355 WeakPolarHBondContact O-CG2 3.23Å; L351-V355 PolarHBondContact O-N 2.7Å; V355-R358 PolarHBondContact O-N 3.15Å; V355-R359 PolarHBondContact O-N 3.4Å; V355-M365 HydrophobicContact CG1-CB 3.74Å; V355-F366 HydrophobicContact CB-CB 4.23Å; V355-F366 HydrophobicContact CG1-CB 4.06Å; V355-M369 HydrophobicContact CG1-SD 4.01Å; V355-M369 HydrophobicContact CG2-SD 3.6Å; V355-M369 VanDerWaalsContact CG2-SD 3.6Å
356R92.6Very high93.4Very high47 Ų4752.1 Ų52.118%0.17725%0.25CS..Hα-helixtrans-73.1-34.4-178.6-68.8179.4172-174.8-4.2112.6E168 Y170 K352 I353 Y354 R359 P360E168-R356 IonicContact OE1-NH1 3.49Å; E168-R356 IonicContact OE2-CZ 2.73Å; E168-R356 IonicContact OE2-NH1 3.17Å; E168-R356 PolarHBondContact OE2-NH1 2.74Å; Y170-R356 HydrophobicContact CD1-CB 4.14Å; Y170-R356 HydrophobicContact CD2-CB 3.86Å; Y170-R356 HydrophobicContact CE1-CB 4.03Å; Y170-R356 HydrophobicContact CE1-CG 4.39Å; Y170-R356 HydrophobicContact CE2-CB 3.7Å; Y170-R356 HydrophobicContact CE2-CG 4.47Å; Y170-R356 HydrophobicContact CG-CB 4.1Å; Y170-R356 WeakPolarHBondContact OH-CD 3.47Å; Y170-R356 PolarHBondContact OH-NH1 2.75Å; Y170-R356 VanDerWaalsContact OH-NH1 3.15Å; K352-R356 WeakPolarHBondContact O-CB 3.28Å; K352-R356 VanDerWaalsContact O-CG 3.25Å; K352-R356 WeakPolarHBondContact O-CG 3.41Å; K352-R356 PolarHBondContact O-N 3.18Å; I353-R356 PolarHBondContact O-N 3.5Å; Y354-R356 VanDerWaalsContact C-N 3.31Å; Y354-R356 PolarHBondContact O-N 3.47Å; R356-R359 CarbonylContact O-C 3.46Å; R356-R359 VanDerWaalsContact O-C 3.3Å; R356-P360 WeakPolarHBondContact O-CA 3.45Å
357K89.1Confident93.4Very high101 Ų10152.6 Ų52.644%0.43925%0.253SS..Hα-helixtrans-63.8-43.4171.9-172.7177.4-177.2-178.70110.9L172 E177 I353 Y354L172-K357 HydrophobicContact CD1-CD 3.57Å; L172-K357 HydrophobicContact CG-CD 4.22Å; E177-K357 IonicContact OE1-NZ 3.44Å; E177-K357 PolarHBondContact OE1-NZ 2.9Å; I353-K357 VanDerWaalsContact O-CB 3.3Å; I353-K357 WeakPolarHBondContact O-CB 3.24Å; I353-K357 PolarHBondContact O-N 2.8Å; Y354-K357 PolarHBondContact O-N 2.74Å
358R91.9Very high93.4Very high84 Ų8456.8 Ų56.832%0.31727%0.271SS..Hα-helixtrans-76.3-27.5-179.5-151.317476.7-134.119.3113.5E312 D314 E317 Y354 V355E312-R358 PolarHBondContact O-NH2 3.29Å; D314-R358 IonicContact OD1-CZ 3.83Å; D314-R358 IonicContact OD1-NH1 3.35Å; D314-R358 PolarHBondContact OD1-NH1 2.84Å; D314-R358 IonicContact OD1-NH2 3.79Å; D314-R358 PolarHBondContact OD1-NH2 3.28Å; D314-R358 IonicContact OD2-CZ 3.25Å; D314-R358 VanDerWaalsContact OD2-CZ 3.23Å; D314-R358 IonicContact OD2-NE 3.31Å; D314-R358 IonicContact OD2-NH1 2.62Å; D314-R358 PolarHBondContact OD2-NH1 2.79Å; D314-R358 IonicContact OD2-NH2 3.29Å; E317-R358 IonicContact OE1-CZ 2.63Å; E317-R358 VanDerWaalsContact OE1-CZ 3.29Å; E317-R358 IonicContact OE1-NH1 3.41Å; E317-R358 PolarHBondContact OE1-NH1 3.12Å; E317-R358 IonicContact OE1-NH2 2.93Å; E317-R358 PolarHBondContact OE1-NH2 3.14Å; E317-R358 IonicContact OE2-CZ 3.39Å; E317-R358 VanDerWaalsContact OE2-CZ 3.31Å; E317-R358 IonicContact OE2-NH1 3.23Å; E317-R358 PolarHBondContact OE2-NH1 3.08Å; E317-R358 IonicContact OE2-NH2 2.63Å; E317-R358 PolarHBondContact OE2-NH2 3.15Å; Y354-R358 PolarHBondContact O-N 3.46Å; V355-R358 PolarHBondContact O-N 3.15Å
359R90.4Very high93.4Very high21 Ų2154.8 Ų54.88%0.07926%0.261CS..  trans-129.770.2178.6-57.4178.3-162.776.6-15.5112L311 E312 E317 V355 R356 H361 K362L311-R359 PolarHBondContact O-NH2 3.28Å; E312-R359 PolarHBondContact O-NH2 3.09Å; E317-R359 IonicContact OE1-CZ 2.81Å; E317-R359 IonicContact OE1-NH1 2.79Å; E317-R359 PolarHBondContact OE1-NH1 3.31Å; E317-R359 IonicContact OE1-NH2 2.74Å; E317-R359 PolarHBondContact OE1-NH2 3.21Å; E317-R359 IonicContact OE2-CZ 3.9Å; E317-R359 IonicContact OE2-NH1 3.78Å; E317-R359 IonicContact OE2-NH2 2.91Å; E317-R359 PolarHBondContact OE2-NH2 3.44Å; V355-R359 PolarHBondContact O-N 3.4Å; R356-R359 CarbonylContact O-C 3.46Å; R356-R359 VanDerWaalsContact O-C 3.3Å; R359-H361 PolarHBondContact O-N 3.4Å; R359-H361 VanDerWaalsContact O-N 3.11Å; R359-K362 HydrophobicContact CB-CB 4.17Å; R359-K362 CarbonylContact O-C 3.58Å; R359-K362 PolarHBondContact O-N 3.25Å
360P85.4Confident93.4Very high86 Ų8653 Ų5356%0.55825%0.253SS*.THydrogen-bonded Turntrans-57.3-32.5-177.2-25.935.5000113.8R356R356-P360 WeakPolarHBondContact O-CA 3.45Å
361H86.4Confident93.5Very high183 Ų18358 Ų5885%0.84728%0.278SS*.THydrogen-bonded Turntrans-85.8-4.5179.6-55.3-58.4000114.4R359 P363R359-H361 PolarHBondContact O-N 3.4Å; R359-H361 VanDerWaalsContact O-N 3.11Å; H361-P363 VanDerWaalsContact C-CD 3.47Å
362K90Very high93.5Very high90 Ų9059.2 Ų59.239%0.39128%0.283SS..  trans-129.661.1179.4-54.4179.2-179.7172.60111.2R359 H364 M365R359-K362 HydrophobicContact CB-CB 4.17Å; R359-K362 CarbonylContact O-C 3.58Å; R359-K362 PolarHBondContact O-N 3.25Å; K362-H364 PolarHBondContact O-N 3.15Å; K362-H364 VanDerWaalsContact O-N 3.08Å; K362-M365 HydrophobicContact CB-CG 3.54Å; K362-M365 HydrophobicContact CD-CG 4.33Å; K362-M365 WeakPolarHBondContact O-CB 3.47Å; K362-M365 WeakPolarHBondContact O-CG 3.44Å; K362-M365 PolarHBondContact O-N 2.77Å
363P87.9Confident93.6Very high61 Ų6158 Ų5840%0.39628%0.279SS..THydrogen-bonded Turntrans-65.1-17.4-176.527.4-36.4000114.1H361 M365H361-P363 VanDerWaalsContact C-CD 3.47Å; P363-M365 PolarHBondContact O-N 2.95Å
364H93.1Very high93.7Very high108 Ų10861.3 Ų61.350%0.530%0.3SS..THydrogen-bonded Turntrans-75-4.7175.464.5-87.5000113.7K362 P367 K368K362-H364 PolarHBondContact O-N 3.15Å; K362-H364 VanDerWaalsContact O-N 3.08Å; H364-P367 VanDerWaalsContact O-CD 3.32Å; H364-P367 WeakPolarHBondContact O-CD 3.48Å; H364-P367 VanDerWaalsContact O-CG 3.31Å; H364-P367 WeakPolarHBondContact O-CG 3.3Å; H364-K368 WeakPolarHBondContact O-CB 3.29Å; H364-K368 PolarHBondContact O-N 3.15Å
365M94.9Very high93.8Very high4 Ų462.3 Ų62.32%0.0231%0.308CS..Hα-helixtrans-69.7-34.7178.9-65.2-62.6-71.200112.4L311 V355 K362 P363 K368 M369L311-M365 HydrophobicContact CB-CE 4.33Å; L311-M365 HydrophobicContact CD2-CE 3.77Å; V355-M365 HydrophobicContact CG1-CB 3.74Å; K362-M365 HydrophobicContact CB-CG 3.54Å; K362-M365 HydrophobicContact CD-CG 4.33Å; K362-M365 WeakPolarHBondContact O-CB 3.47Å; K362-M365 WeakPolarHBondContact O-CG 3.44Å; K362-M365 PolarHBondContact O-N 2.77Å; P363-M365 PolarHBondContact O-N 2.95Å; M365-K368 PolarHBondContact O-N 2.86Å; M365-K368 HydrophobicContact SD-CD 4.32Å; M365-M369 WeakPolarHBondContact O-CB 3.26Å; M365-M369 WeakPolarHBondContact O-CG 3.33Å; M365-M369 PolarHBondContact O-N 3.11Å
366F97Very high94Very high28 Ų2862.4 Ų62.412%0.12331%0.308CS..Hα-helixtrans-57.1-57.9176.1165.9-112.6000112.4L351 K352 V355 K368 M369 L370L351-F366 HydrophobicContact CB-CE2 4.32Å; L351-F366 HydrophobicContact CD2-CD2 4.33Å; L351-F366 HydrophobicContact CD2-CE2 4.15Å; L351-F366 HydrophobicContact CG-CD2 4.07Å; L351-F366 HydrophobicContact CG-CE2 4.13Å; K352-F366 VanDerWaalsContact CA-CD2 3.44Å; K352-F366 HydrophobicContact CB-CD1 3.97Å; K352-F366 HydrophobicContact CB-CD2 3.83Å; K352-F366 HydrophobicContact CB-CE1 3.88Å; K352-F366 HydrophobicContact CB-CE2 3.72Å; K352-F366 HydrophobicContact CB-CG 3.95Å; K352-F366 HydrophobicContact CB-CZ 3.75Å; K352-F366 HydrophobicContact CD-CD1 4.34Å; K352-F366 HydrophobicContact CD-CE1 4.08Å; K352-F366 HydrophobicContact CG-CD1 3.88Å; K352-F366 HydrophobicContact CG-CE1 4.01Å; K352-F366 HydrophobicContact CG-CG 4.17Å; K352-F366 HydrophobicContact CG-CZ 4.39Å; V355-F366 HydrophobicContact CB-CB 4.23Å; V355-F366 HydrophobicContact CG1-CB 4.06Å; F366-K368 VanDerWaalsContact C-N 3.26Å; F366-K368 PolarHBondContact O-N 2.9Å; F366-M369 PolarHBondContact O-N 3.05Å; F366-L370 HydrophobicContact CZ-CD2 4.21Å; F366-L370 PolarHBondContact O-N 3.46Å
367P97.4Very high94.2Very high59 Ų5964.9 Ų64.938%0.38332%0.317SS..Hα-helixtrans-63.8-33.7178.124.3-33.1000111.7H364 M369 L370 M371H364-P367 VanDerWaalsContact O-CD 3.32Å; H364-P367 WeakPolarHBondContact O-CD 3.48Å; H364-P367 VanDerWaalsContact O-CG 3.31Å; H364-P367 WeakPolarHBondContact O-CG 3.3Å; P367-M369 PolarHBondContact O-N 3.4Å; P367-L370 PolarHBondContact O-N 2.93Å; P367-M371 WeakPolarHBondContact O-CB 3.19Å; P367-M371 WeakPolarHBondContact O-CG 3.25Å; P367-M371 PolarHBondContact O-N 3.14Å
368K97.1Very high94.6Very high94 Ų9463.2 Ų63.241%0.40932%0.319SS..Hα-helixtrans-62.8-39.8176.8-169.3-179.1178.4-175.20112.6L311 H364 M365 F366L311-K368 HydrophobicContact CD2-CB 4.45Å; L311-K368 HydrophobicContact CD2-CD 3.64Å; L311-K368 HydrophobicContact CD2-CG 3.84Å; H364-K368 WeakPolarHBondContact O-CB 3.29Å; H364-K368 PolarHBondContact O-N 3.15Å; M365-K368 PolarHBondContact O-N 2.86Å; M365-K368 HydrophobicContact SD-CD 4.32Å; F366-K368 VanDerWaalsContact C-N 3.26Å; F366-K368 PolarHBondContact O-N 2.9Å
369M97.6Very high94.9Very high2 Ų259.8 Ų59.81%0.0131%0.307CS..Hα-helixtrans-67.2-45.9173.8-76.2160.2145.800111.5L311 M313 E317 V355 M365 F366 P367 M371 K372L311-M369 HydrophobicContact CB-CE 4.28Å; L311-M369 HydrophobicContact CB-CG 4.49Å; L311-M369 HydrophobicContact CD1-CG 4Å; L311-M369 HydrophobicContact CD2-CG 4.4Å; M313-M369 HydrophobicContact CB-CE 4.48Å; M313-M369 HydrophobicContact CG-CE 3.62Å; E317-M369 HydrophobicContact CB-CE 4.28Å; E317-M369 HydrophobicContact CG-CE 4.14Å; E317-M369 WeakPolarHBondContact OE1-CE 3.13Å; E317-M369 WeakPolarHBondContact OE2-CE 3.44Å; V355-M369 HydrophobicContact CG1-SD 4.01Å; V355-M369 HydrophobicContact CG2-SD 3.6Å; V355-M369 VanDerWaalsContact CG2-SD 3.6Å; M365-M369 WeakPolarHBondContact O-CB 3.26Å; M365-M369 WeakPolarHBondContact O-CG 3.33Å; M365-M369 PolarHBondContact O-N 3.11Å; F366-M369 PolarHBondContact O-N 3.05Å; P367-M369 PolarHBondContact O-N 3.4Å; M369-M371 VanDerWaalsContact C-N 3.26Å; M369-M371 PolarHBondContact O-N 3.28Å; M369-K372 VanDerWaalsContact O-CB 3.25Å; M369-K372 WeakPolarHBondContact O-CB 3.33Å; M369-K372 PolarHBondContact O-N 2.54Å
370L97.6Very high95.2Very high42 Ų4259.3 Ų59.322%0.2231%0.306CS..Hα-helixtrans-61.4-37.7179.9-164.767.4000111.7I324 L348 F366 P367 K372 I373I324-L370 HydrophobicContact CG2-CD1 4.39Å; L348-L370 HydrophobicContact CD2-CD1 3.64Å; L348-L370 HydrophobicContact CD2-CD2 4.21Å; F366-L370 HydrophobicContact CZ-CD2 4.21Å; F366-L370 PolarHBondContact O-N 3.46Å; P367-L370 PolarHBondContact O-N 2.93Å; L370-K372 PolarHBondContact O-N 3.01Å; L370-I373 HydrophobicContact CD1-CD1 3.78Å; L370-I373 VanDerWaalsContact O-CB 3.3Å; L370-I373 WeakPolarHBondContact O-CB 3.24Å; L370-I373 WeakPolarHBondContact O-CG1 3.32Å; L370-I373 PolarHBondContact O-N 3.25Å; L370-I373 VanDerWaalsContact O-N 3.08Å
371M97.7Very high95.7Very high105 Ų10557.9 Ų57.952%0.51730%0.302SS..THydrogen-bonded Turntrans-66.6-16.5175.2-67.3-6293.300114P367 M369 I373 T374P367-M371 WeakPolarHBondContact O-CB 3.19Å; P367-M371 WeakPolarHBondContact O-CG 3.25Å; P367-M371 PolarHBondContact O-N 3.14Å; M369-M371 VanDerWaalsContact C-N 3.26Å; M369-M371 PolarHBondContact O-N 3.28Å; M371-I373 PolarHBondContact O-N 3.38Å; M371-T374 PolarHBondContact O-N 2.79Å
372K97.9Very high96.2Very high28 Ų2853.6 Ų53.612%0.12228%0.281CS..Hα-helixtrans-66.2-21.7171.2-65.6-6199.9-162.60112.4F304 L308 L311 M369 L370 T374 D375 L376F304-K372 HydrophobicContact CE2-CB 4.05Å; F304-K372 HydrophobicContact CE2-CD 4.11Å; F304-K372 HydrophobicContact CZ-CB 4.14Å; L308-K372 HydrophobicContact CD2-CB 4.38Å; L308-K372 HydrophobicContact CD2-CD 4.17Å; L308-K372 HydrophobicContact CD2-CG 3.93Å; L311-K372 HydrophobicContact CD1-CD 4.25Å; L311-K372 HydrophobicContact CD1-CG 3.64Å; M369-K372 VanDerWaalsContact O-CB 3.25Å; M369-K372 WeakPolarHBondContact O-CB 3.33Å; M369-K372 PolarHBondContact O-N 2.54Å; L370-K372 PolarHBondContact O-N 3.01Å; K372-T374 VanDerWaalsContact C-N 3.25Å; K372-T374 PolarHBondContact O-N 2.86Å; K372-D375 WeakPolarHBondContact CE-OD2 3.43Å; K372-D375 IonicContact NZ-OD2 3.65Å; K372-D375 PolarHBondContact NZ-OD2 2.84Å; K372-D375 PolarHBondContact O-N 3.44Å; K372-L376 VanDerWaalsContact O-CB 3.3Å; K372-L376 WeakPolarHBondContact O-CB 3.38Å; K372-L376 PolarHBondContact O-N 3.25Å
373I97.6Very high96.5Very high16 Ų1649.5 Ų49.58%0.08226%0.264CS..Hα-helixtrans-61.3-37.1174-61.3-179.3000110.6L321 I324 L370 M371 L376 R377L321-I373 HydrophobicContact CD1-CD1 3.83Å; L321-I373 HydrophobicContact CD1-CG1 3.87Å; L321-I373 HydrophobicContact CG-CD1 4.49Å; L321-I373 HydrophobicContact CG-CG1 4.28Å; I324-I373 HydrophobicContact CG2-CD1 3.75Å; L370-I373 HydrophobicContact CD1-CD1 3.78Å; L370-I373 VanDerWaalsContact O-CB 3.3Å; L370-I373 WeakPolarHBondContact O-CB 3.24Å; L370-I373 WeakPolarHBondContact O-CG1 3.32Å; L370-I373 PolarHBondContact O-N 3.25Å; L370-I373 VanDerWaalsContact O-N 3.08Å; M371-I373 PolarHBondContact O-N 3.38Å; I373-L376 PolarHBondContact O-N 3.38Å; I373-R377 HydrophobicContact CG2-CG 4.25Å; I373-R377 WeakPolarHBondContact O-CB 3.48Å; I373-R377 WeakPolarHBondContact O-CG 3.48Å; I373-R377 PolarHBondContact O-N 3.41Å
374T96.8Very high96.9Very high90 Ų9047.3 Ų47.355%0.55225%0.251SS*.Hα-helixtrans-63.6-45.8178.8-52.90000111.7M371 K372 S378M371-T374 PolarHBondContact O-N 2.79Å; K372-T374 VanDerWaalsContact C-N 3.25Å; K372-T374 PolarHBondContact O-N 2.86Å; T374-S378 PolarHBondContact O-N 2.85Å
375D96.9Very high96.9Very high60 Ų6048.1 Ų48.132%0.32126%0.255SS..Hα-helixtrans-64.7-43.2175.7-59.5-50.8000110.7F304 K372 R377 S378 I379F304-D375 HydrophobicContact CD2-CB 4.06Å; F304-D375 HydrophobicContact CE2-CB 3.93Å; K372-D375 WeakPolarHBondContact CE-OD2 3.43Å; K372-D375 IonicContact NZ-OD2 3.65Å; K372-D375 PolarHBondContact NZ-OD2 2.84Å; K372-D375 PolarHBondContact O-N 3.44Å; D375-R377 PolarHBondContact O-N 2.87Å; D375-S378 WeakPolarHBondContact O-CB 3.37Å; D375-S378 PolarHBondContact O-N 3.31Å; D375-S378 VanDerWaalsContact O-N 3.13Å; D375-I379 WeakPolarHBondContact O-CG1 3.42Å; D375-I379 PolarHBondContact O-N 3.07Å
376L98.1Very high96.9Very high1 Ų149 Ų491%0.00526%0.258CS..Hα-helixtrans-57.7-49.1178.9-174.261000111.6D259 I262 L263 F304 K372 I373 S378 I379 S380D259-L376 HydrophobicContact CB-CD2 3.92Å; D259-L376 HydrophobicContact CB-CG 4.08Å; I262-L376 HydrophobicContact CB-CD1 3.82Å; I262-L376 HydrophobicContact CG2-CD1 3.53Å; L263-L376 HydrophobicContact CB-CD2 4.08Å; F304-L376 HydrophobicContact CE1-CD1 3.87Å; F304-L376 HydrophobicContact CE2-CB 4.42Å; F304-L376 HydrophobicContact CZ-CB 4Å; F304-L376 HydrophobicContact CZ-CD1 4.11Å; K372-L376 VanDerWaalsContact O-CB 3.3Å; K372-L376 WeakPolarHBondContact O-CB 3.38Å; K372-L376 PolarHBondContact O-N 3.25Å; I373-L376 PolarHBondContact O-N 3.38Å; L376-S378 VanDerWaalsContact C-N 3.26Å; L376-S378 PolarHBondContact O-N 2.89Å; L376-I379 PolarHBondContact O-N 3.42Å; L376-S380 PolarHBondContact O-N 2.81Å; L376-S380 PolarHBondContact O-OG 3.47Å; L376-S380 VanDerWaalsContact O-OG 3.07Å
377R96.9Very high96.8Very high99 Ų9948.2 Ų48.237%0.37426%0.256SS..Hα-helixtrans-56.9-38.9176.1-74.4-179.8-179.9-171.60.2112.1C328 I373 D375 A381C328-R377 PolarHBondContact SG-NH2 2.9Å; I373-R377 HydrophobicContact CG2-CG 4.25Å; I373-R377 WeakPolarHBondContact O-CB 3.48Å; I373-R377 WeakPolarHBondContact O-CG 3.48Å; I373-R377 PolarHBondContact O-N 3.41Å; D375-R377 PolarHBondContact O-N 2.87Å; R377-A381 PolarHBondContact O-N 2.99Å
378S97.5Very high96.6Very high67 Ų6750.4 Ų50.447%0.46926%0.263SS..Hα-helixtrans-67-39.1176.5-177.10000112.5T374 D375 L376 K382T374-S378 PolarHBondContact O-N 2.85Å; D375-S378 WeakPolarHBondContact O-CB 3.37Å; D375-S378 PolarHBondContact O-N 3.31Å; D375-S378 VanDerWaalsContact O-N 3.13Å; L376-S378 VanDerWaalsContact C-N 3.26Å; L376-S378 PolarHBondContact O-N 2.89Å; S378-K382 PolarHBondContact O-N 3.34Å
379I98.2Very high96.4Very high12 Ų1248.8 Ų48.86%0.06226%0.261CS..Hα-helixtrans-69.3-43.3177-59164.1000109.8I262 L300 V301 F304 D375 L376 A381 K382 G383I262-I379 HydrophobicContact CD1-CG2 3.94Å; I262-I379 HydrophobicContact CG2-CG2 4.31Å; L300-I379 HydrophobicContact CB-CG1 4.5Å; V301-I379 HydrophobicContact CG2-CG2 3.92Å; F304-I379 HydrophobicContact CB-CD1 3.48Å; F304-I379 VanDerWaalsContact CB-CD1 3.48Å; F304-I379 HydrophobicContact CD1-CD1 4.3Å; F304-I379 HydrophobicContact CD2-CD1 3.82Å; F304-I379 HydrophobicContact CG-CD1 3.62Å; D375-I379 WeakPolarHBondContact O-CG1 3.42Å; D375-I379 PolarHBondContact O-N 3.07Å; L376-I379 PolarHBondContact O-N 3.42Å; I379-A381 PolarHBondContact O-N 3.06Å; I379-K382 PolarHBondContact O-N 3.31Å; I379-G383 PolarHBondContact O-N 3.34Å
380S97.1Very high96.2Very high10 Ų1049.2 Ų49.27%0.0726%0.263CS..Hα-helixtrans-63.2-37.8177.7-590000112.9L258 D259 L376 K382 G383 A384L258-S380 WeakPolarHBondContact CD2-O 3.5Å; D259-S380 WeakPolarHBondContact CA-OG 3.48Å; D259-S380 PolarHBondContact N-OG 3.4Å; D259-S380 WeakPolarHBondContact OD1-CB 3.24Å; D259-S380 PolarHBondContact OD1-OG 3.17Å; L376-S380 PolarHBondContact O-N 2.81Å; L376-S380 PolarHBondContact O-OG 3.47Å; L376-S380 VanDerWaalsContact O-OG 3.07Å; S380-K382 PolarHBondContact O-N 2.93Å; S380-G383 CarbonylContact O-C 3.55Å; S380-G383 WeakPolarHBondContact O-CA 3.13Å; S380-G383 PolarHBondContact O-N 2.92Å; S380-A384 PolarHBondContact O-N 3.38Å
381A96Very high95.9Very high56 Ų5650.6 Ų50.646%0.46327%0.268SS..Hα-helixtrans-58.1-47.9174.500000111.8R377 I379 G383 A384 E385R377-A381 PolarHBondContact O-N 2.99Å; I379-A381 PolarHBondContact O-N 3.06Å; A381-G383 PolarHBondContact O-N 3.14Å; A381-A384 PolarHBondContact O-N 2.65Å; A381-E385 PolarHBondContact O-N 2.96Å
382K96.9Very high95.6Very high94 Ų9453.8 Ų53.841%0.40928%0.283SS..Hα-helixtrans-65.4-30.4172.8-63.7178.4178.6-177.50112.2L297 L300 S378 I379 S380 E385 R386L297-K382 HydrophobicContact CD2-CB 3.57Å; L300-K382 HydrophobicContact CD1-CD 3.55Å; S378-K382 PolarHBondContact O-N 3.34Å; I379-K382 PolarHBondContact O-N 3.31Å; S380-K382 PolarHBondContact O-N 2.93Å; K382-E385 PolarHBondContact O-N 2.66Å; K382-R386 PolarHBondContact O-N 3.01Å
383G96.7Very high95.3Very high4 Ų455.6 Ų55.64%0.04129%0.292CS..Hα-helixtrans-55-52.7170.900000113.1I379 S380 A381 E385 R386 V387I379-G383 PolarHBondContact O-N 3.34Å; S380-G383 CarbonylContact O-C 3.55Å; S380-G383 WeakPolarHBondContact O-CA 3.13Å; S380-G383 PolarHBondContact O-N 2.92Å; A381-G383 PolarHBondContact O-N 3.14Å; G383-E385 VanDerWaalsContact C-N 3.33Å; G383-E385 PolarHBondContact O-N 2.98Å; G383-R386 WeakPolarHBondContact O-CB 3.44Å; G383-R386 PolarHBondContact O-N 2.99Å; G383-R386 VanDerWaalsContact O-N 3.11Å; G383-V387 PolarHBondContact O-N 3.46Å; G383-V387 VanDerWaalsContact O-N 3.09Å
384A95Very high95.1Very high14 Ų1455.6 Ų55.612%0.11629%0.292CS..Hα-helixtrans-61.6-41.3177.500000111.6S380 A381 R386 V387 I388S380-A384 PolarHBondContact O-N 3.38Å; A381-A384 PolarHBondContact O-N 2.65Å; A384-R386 VanDerWaalsContact C-N 3.32Å; A384-R386 PolarHBondContact O-N 3.16Å; A384-V387 WeakPolarHBondContact O-CB 3.25Å; A384-V387 PolarHBondContact O-N 3.34Å; A384-I388 PolarHBondContact O-N 3.16Å
385E94.7Very high94.6Very high126 Ų12656.4 Ų56.459%0.58930%0.299SS*.Hα-helixtrans-60.1-41172.9-66.4172.5-165.600111.9A381 K382 G383 V387 I388 T389A381-E385 PolarHBondContact O-N 2.96Å; K382-E385 PolarHBondContact O-N 2.66Å; G383-E385 VanDerWaalsContact C-N 3.33Å; G383-E385 PolarHBondContact O-N 2.98Å; E385-V387 VanDerWaalsContact C-N 3.34Å; E385-V387 PolarHBondContact O-N 3.3Å; E385-I388 WeakPolarHBondContact O-CB 3.32Å; E385-I388 PolarHBondContact O-N 3.43Å; E385-T389 PolarHBondContact O-N 3.05Å; E385-T389 VanDerWaalsContact O-N 3.15Å
386R94.9Very high94.3Very high22 Ų2256.2 Ų56.28%0.08331%0.311CS..Hα-helixtrans-62.8-39.8177.4-179.764.2-169.3143-6.1111.9G293 L297 K382 G383 A384 I388 T389 L390 E393G293-R386 PolarHBondContact O-NE 2.6Å; G293-R386 PolarHBondContact O-NH2 2.94Å; L297-R386 HydrophobicContact CD1-CB 3.46Å; L297-R386 VanDerWaalsContact CD1-CB 3.46Å; L297-R386 HydrophobicContact CD1-CG 3.78Å; L297-R386 HydrophobicContact CG-CB 4.18Å; L297-R386 HydrophobicContact CG-CG 4.44Å; K382-R386 PolarHBondContact O-N 3.01Å; G383-R386 WeakPolarHBondContact O-CB 3.44Å; G383-R386 PolarHBondContact O-N 2.99Å; G383-R386 VanDerWaalsContact O-N 3.11Å; A384-R386 VanDerWaalsContact C-N 3.32Å; A384-R386 PolarHBondContact O-N 3.16Å; R386-I388 PolarHBondContact O-N 2.69Å; R386-T389 WeakPolarHBondContact CA-OG1 3.38Å; R386-T389 WeakPolarHBondContact CD-OG1 2.76Å; R386-T389 PolarHBondContact NH1-OG1 3.18Å; R386-T389 PolarHBondContact O-N 2.83Å; R386-T389 VanDerWaalsContact O-N 3.14Å; R386-T389 PolarHBondContact O-OG1 3.05Å; R386-L390 HydrophobicContact CG-CD1 4.04Å; R386-L390 HydrophobicContact CG-CG 4.25Å; R386-L390 VanDerWaalsContact NH2-CD2 3.33Å; R386-L390 WeakPolarHBondContact O-CB 3.49Å; R386-L390 WeakPolarHBondContact O-CG 3.47Å; R386-L390 PolarHBondContact O-N 2.9Å; R386-E393 IonicContact CZ-OE1 2.66Å; R386-E393 IonicContact CZ-OE2 3.6Å; R386-E393 IonicContact NH1-OE1 2.98Å; R386-E393 PolarHBondContact NH1-OE1 3.48Å; R386-E393 IonicContact NH1-OE2 2.74Å; R386-E393 PolarHBondContact NH1-OE2 3.2Å; R386-E393 IonicContact NH2-OE1 2.69Å; R386-E393 IonicContact NH2-OE2 3.54Å; R386-E393 PolarHBondContact NH2-OE2 3.01Å
387V94.7Very high93.9Very high12 Ų1261.1 Ų61.17%0.07335%0.345CS..Hα-helixtrans-56.2-40.8176.5174.90000110.9G383 A384 E385 L390 K391 M398 L406 E407G383-V387 PolarHBondContact O-N 3.46Å; G383-V387 VanDerWaalsContact O-N 3.09Å; A384-V387 WeakPolarHBondContact O-CB 3.25Å; A384-V387 PolarHBondContact O-N 3.34Å; E385-V387 VanDerWaalsContact C-N 3.34Å; E385-V387 PolarHBondContact O-N 3.3Å; V387-L390 PolarHBondContact O-N 2.87Å; V387-K391 PolarHBondContact O-N 3.34Å; V387-M398 HydrophobicContact CG1-CE 4.14Å; V387-L406 HydrophobicContact CG1-CB 4.42Å; V387-L406 HydrophobicContact CG2-CB 4.13Å; V387-L406 HydrophobicContact CG2-CD1 4.32Å; V387-E407 HydrophobicContact CG1-CG 4.07Å
388I92.8Very high93.8Very high104 Ų10456.7 Ų56.753%0.53333%0.329SS..Hα-helixtrans-65.1-47.4176.8-58.5168.1000110.7A384 E385 R386 L390 K391A384-I388 PolarHBondContact O-N 3.16Å; E385-I388 WeakPolarHBondContact O-CB 3.32Å; E385-I388 PolarHBondContact O-N 3.43Å; R386-I388 PolarHBondContact O-N 2.69Å; I388-L390 VanDerWaalsContact C-N 3.32Å; I388-L390 PolarHBondContact O-N 3.02Å; I388-K391 WeakPolarHBondContact O-CB 3.16Å; I388-K391 PolarHBondContact O-N 3.02Å
389T93.3Very high93.7Very high61 Ų6154.8 Ų54.837%0.37432%0.315SS..Hα-helixtrans-65.5-35.5179.361.60000112.7E385 R386 K391 M392E385-T389 PolarHBondContact O-N 3.05Å; E385-T389 VanDerWaalsContact O-N 3.15Å; R386-T389 WeakPolarHBondContact CA-OG1 3.38Å; R386-T389 WeakPolarHBondContact CD-OG1 2.76Å; R386-T389 PolarHBondContact NH1-OG1 3.18Å; R386-T389 PolarHBondContact O-N 2.83Å; R386-T389 VanDerWaalsContact O-N 3.14Å; R386-T389 PolarHBondContact O-OG1 3.05Å; T389-K391 PolarHBondContact O-N 3.38Å; T389-M392 PolarHBondContact O-N 3.04Å; T389-M392 VanDerWaalsContact O-N 3.08Å
390L93.5Very high93.6Very high10 Ų1059.2 Ų59.25%0.05235%0.345CS..Hα-helixtrans-59.4-35177.6-87.5167.9000112.1L212 W217 G293 R386 V387 I388 M392 E393 I394 M398L212-L390 HydrophobicContact CD1-CD2 3.95Å; W217-L390 HydrophobicContact CE3-CD2 4.41Å; W217-L390 HydrophobicContact CH2-CD1 4.26Å; W217-L390 HydrophobicContact CZ3-CD1 3.85Å; W217-L390 HydrophobicContact CZ3-CD2 4.2Å; G293-L390 WeakPolarHBondContact O-CD1 3.46Å; R386-L390 HydrophobicContact CG-CD1 4.04Å; R386-L390 HydrophobicContact CG-CG 4.25Å; R386-L390 VanDerWaalsContact NH2-CD2 3.33Å; R386-L390 WeakPolarHBondContact O-CB 3.49Å; R386-L390 WeakPolarHBondContact O-CG 3.47Å; R386-L390 PolarHBondContact O-N 2.9Å; V387-L390 PolarHBondContact O-N 2.87Å; I388-L390 VanDerWaalsContact C-N 3.32Å; I388-L390 PolarHBondContact O-N 3.02Å; L390-M392 PolarHBondContact O-N 2.87Å; L390-M392 VanDerWaalsContact O-N 3.16Å; L390-E393 PolarHBondContact O-N 3.47Å; L390-I394 WeakPolarHBondContact O-CG1 3.28Å; L390-I394 WeakPolarHBondContact O-CG2 3.2Å; L390-I394 PolarHBondContact O-N 2.78Å; L390-M398 HydrophobicContact CB-CE 4.08Å
391K91.5Very high93.5Very high72 Ų7260.9 Ų60.931%0.31335%0.353SS..Hα-helixtrans-56.2-30.9176.1-75.1-174.9153177.10114.1V387 I388 T389 M398 E407V387-K391 PolarHBondContact O-N 3.34Å; I388-K391 WeakPolarHBondContact O-CB 3.16Å; I388-K391 PolarHBondContact O-N 3.02Å; T389-K391 PolarHBondContact O-N 3.38Å; K391-M398 HydrophobicContact CG-CB 4.37Å; K391-M398 HydrophobicContact CG-CE 3.86Å; K391-E407 VanDerWaalsContact CE-CD 3.47Å; K391-E407 WeakPolarHBondContact CE-OE1 3.49Å; K391-E407 IonicContact NZ-OE1 2.6Å; K391-E407 PolarHBondContact NZ-OE1 3.1Å; K391-E407 IonicContact NZ-OE2 2.82Å; K391-E407 PolarHBondContact NZ-OE2 3.28Å
392M90.3Very high93.5Very high172 Ų17258.6 Ų58.685%0.84733%0.332SS*.Hα-helixtrans-84-18.9179.8-60.7-177.865.100112.4T389 L390T389-M392 PolarHBondContact O-N 3.04Å; T389-M392 VanDerWaalsContact O-N 3.08Å; L390-M392 PolarHBondContact O-N 2.87Å; L390-M392 VanDerWaalsContact O-N 3.16Å
393E92.4Very high93.4Very high66 Ų6657.7 Ų57.731%0.30833%0.33SS..Hα-helixtrans-94.5-27.8-177.8-67.2175.4-152.600112.6S211 L212 R386 L390S211-E393 PolarHBondContact OG-OE2 3.08Å; L212-E393 HydrophobicContact CD2-CB 4.17Å; R386-E393 IonicContact CZ-OE1 2.66Å; R386-E393 IonicContact CZ-OE2 3.6Å; R386-E393 IonicContact NH1-OE1 2.98Å; R386-E393 PolarHBondContact NH1-OE1 3.48Å; R386-E393 IonicContact NH1-OE2 2.74Å; R386-E393 PolarHBondContact NH1-OE2 3.2Å; R386-E393 IonicContact NH2-OE1 2.69Å; R386-E393 IonicContact NH2-OE2 3.54Å; R386-E393 PolarHBondContact NH2-OE2 3.01Å; L390-E393 PolarHBondContact O-N 3.47Å
394I93.4Very high93.3Very high15 Ų1563.1 Ų63.18%0.07735%0.354CS..SBendtrans-75.613918059.6172.8000111.1L212 W217 L390 G396 M398L212-I394 HydrophobicContact CD2-CG2 3.75Å; W217-I394 HydrophobicContact CD2-CG2 3.96Å; W217-I394 VanDerWaalsContact CE2-CG2 3.48Å; W217-I394 HydrophobicContact CG-CG2 4.26Å; W217-I394 HydrophobicContact CZ2-CD1 4.42Å; W217-I394 HydrophobicContact CZ2-CG2 3.83Å; L390-I394 WeakPolarHBondContact O-CG1 3.28Å; L390-I394 WeakPolarHBondContact O-CG2 3.2Å; L390-I394 PolarHBondContact O-N 2.78Å; I394-G396 WeakPolarHBondContact CD1-O 3.34Å; I394-G396 WeakPolarHBondContact CG1-O 3.37Å; I394-G396 PolarHBondContact O-N 3.47Å; I394-M398 HydrophobicContact CD1-CB 4.36Å; I394-M398 HydrophobicContact CD1-CE 4.33Å
395P85.5Confident93.3Very high108 Ų10863.3 Ų63.370%0.70135%0.352SS*.SBendtrans-67.4-20.9177.1-21.932.7000114.4I214I214-P395 HydrophobicContact CD1-CG 3.7Å; I214-P395 HydrophobicContact CG1-CG 4.27Å
396G90Very high93.2Very high55 Ų5558 Ų5857%0.56733%0.328SS*.SBendtrans-118.5-159.8-175.900000113.4I394I394-G396 WeakPolarHBondContact CD1-O 3.34Å; I394-G396 WeakPolarHBondContact CG1-O 3.37Å; I394-G396 PolarHBondContact O-N 3.47Å
397S90.8Very high92.7Very high105 Ų10559 Ų5973%0.73433%0.334SS*.PPolyproline II helixtrans-88.1149.9174.756.80000111.8
398M94.7Very high91.5Very high6 Ų664 Ų643%0.0336%0.36CS..PPolyproline II helixtrans-58.3138.4169.2-171.662.568.900109.9W217 V387 L390 K391 I394 I402 Q403W217-M398 HydrophobicContact CH2-CE 4.08Å; W217-M398 HydrophobicContact CH2-SD 3.75Å; W217-M398 HydrophobicContact CZ2-CE 4.32Å; W217-M398 HydrophobicContact CZ2-SD 3.84Å; V387-M398 HydrophobicContact CG1-CE 4.14Å; L390-M398 HydrophobicContact CB-CE 4.08Å; K391-M398 HydrophobicContact CG-CB 4.37Å; K391-M398 HydrophobicContact CG-CE 3.86Å; I394-M398 HydrophobicContact CD1-CB 4.36Å; I394-M398 HydrophobicContact CD1-CE 4.33Å; M398-I402 HydrophobicContact CG-CB 4.23Å; M398-I402 HydrophobicContact CG-CG2 4.03Å; M398-I402 HydrophobicContact SD-CB 4.23Å; M398-I402 HydrophobicContact SD-CG2 3.63Å; M398-Q403 HydrophobicContact CB-CB 4.19Å; M398-Q403 HydrophobicContact CG-CB 3.89Å
399P95.8Very high89.6Confident27 Ų2764 Ų6418%0.17537%0.369CS..PPolyproline II helixtrans-55.7135.6174.3-29.337.7000111.4L401 I402 Q403P399-L401 VanDerWaalsContact C-N 3.31Å; P399-L401 PolarHBondContact O-N 3.48Å; P399-L401 VanDerWaalsContact O-N 3.16Å; P399-I402 HydrophobicContact CB-CB 4.39Å; P399-I402 HydrophobicContact CB-CD1 4.06Å; P399-I402 HydrophobicContact CB-CG1 4.16Å; P399-I402 HydrophobicContact CG-CD1 3.97Å; P399-I402 WeakPolarHBondContact O-CB 3.49Å; P399-I402 PolarHBondContact O-N 3.42Å; P399-Q403 PolarHBondContact O-N 3.19Å
400P95.2Very high87.5Confident105 Ų10567.1 Ų67.168%0.68238%0.38SS*.Hα-helixtrans-55-42.7-168.4-28.734000114Q403 E404P400-Q403 PolarHBondContact O-N 2.83Å; P400-E404 VanDerWaalsContact O-CB 3.31Å; P400-E404 WeakPolarHBondContact O-CB 3.31Å; P400-E404 PolarHBondContact O-N 3.49Å
401L96Very high84.9Confident45 Ų4569.9 Ų69.924%0.23641%0.41CS..Hα-helixtrans-70.1-35.2-178.8-175.163.4000112.6T225 I228 I229 P399 M405T225-L401 HydrophobicContact CG2-CB 4.28Å; T225-L401 HydrophobicContact CG2-CD2 3.97Å; I228-L401 HydrophobicContact CB-CD2 4.03Å; I228-L401 HydrophobicContact CB-CG 4.39Å; I228-L401 HydrophobicContact CG2-CD1 4.19Å; I228-L401 HydrophobicContact CG2-CD2 3.72Å; I228-L401 HydrophobicContact CG2-CG 3.79Å; I229-L401 HydrophobicContact CD1-CD2 4.29Å; I229-L401 HydrophobicContact CG1-CD2 3.64Å; P399-L401 VanDerWaalsContact C-N 3.31Å; P399-L401 PolarHBondContact O-N 3.48Å; P399-L401 VanDerWaalsContact O-N 3.16Å; L401-M405 HydrophobicContact CD1-CG 3.8Å; L401-M405 HydrophobicContact CG-CG 4.31Å; L401-M405 VanDerWaalsContact O-CB 3.23Å; L401-M405 WeakPolarHBondContact O-CB 3.48Å; L401-M405 VanDerWaalsContact O-CG 3.27Å; L401-M405 WeakPolarHBondContact O-CG 3.27Å; L401-M405 PolarHBondContact O-N 3.35Å
402I95.9Very high82.1Confident8 Ų874.3 Ų74.34%0.04144%0.437CS..Hα-helixtrans-65.3-46.1175.4-64.7-177.4000109.1I228 M398 P399 L406I228-I402 HydrophobicContact CD1-CG1 3.9Å; M398-I402 HydrophobicContact CG-CB 4.23Å; M398-I402 HydrophobicContact CG-CG2 4.03Å; M398-I402 HydrophobicContact SD-CB 4.23Å; M398-I402 HydrophobicContact SD-CG2 3.63Å; P399-I402 HydrophobicContact CB-CB 4.39Å; P399-I402 HydrophobicContact CB-CD1 4.06Å; P399-I402 HydrophobicContact CB-CG1 4.16Å; P399-I402 HydrophobicContact CG-CD1 3.97Å; P399-I402 WeakPolarHBondContact O-CB 3.49Å; P399-I402 PolarHBondContact O-N 3.42Å; I402-L406 HydrophobicContact CG2-CD1 3.83Å; I402-L406 HydrophobicContact CG2-CG 4.48Å; I402-L406 VanDerWaalsContact O-CB 3.25Å; I402-L406 WeakPolarHBondContact O-CB 3.5Å; I402-L406 WeakPolarHBondContact O-CG 3.26Å; I402-L406 PolarHBondContact O-N 3Å
403Q94.3Very high79.5Confident75 Ų7575.3 Ų75.335%0.3544%0.439SS..Hα-helixtrans-60.3-50.6175.9163.1154.528.300111.7M398 P399 P400 M405 E407M398-Q403 HydrophobicContact CB-CB 4.19Å; M398-Q403 HydrophobicContact CG-CB 3.89Å; P399-Q403 PolarHBondContact O-N 3.19Å; P400-Q403 PolarHBondContact O-N 2.83Å; Q403-M405 VanDerWaalsContact C-N 3.31Å; Q403-M405 PolarHBondContact O-N 2.96Å; Q403-E407 WeakPolarHBondContact CA-OE1 3.23Å; Q403-E407 VanDerWaalsContact CB-OE1 3.25Å; Q403-E407 WeakPolarHBondContact CB-OE1 3.46Å; Q403-E407 VanDerWaalsContact CG-CD 3.48Å; Q403-E407 WeakPolarHBondContact CG-OE1 3.41Å; Q403-E407 WeakPolarHBondContact CG-OE2 3.41Å; Q403-E407 PolarHBondContact NE2-OE2 3.35Å; Q403-E407 VanDerWaalsContact O-CB 3.28Å; Q403-E407 WeakPolarHBondContact O-CB 3.44Å; Q403-E407 PolarHBondContact O-N 3.44Å; Q403-E407 VanDerWaalsContact O-N 3.15Å
404E94.8Very high76.6Confident117 Ų11778.6 Ų78.655%0.54747%0.469SS..Hα-helixtrans-62.4-36.4-177.5-175-178.2165.900113.2K254 P400K254-E404 WeakPolarHBondContact CE-O 3.41Å; K254-E404 PolarHBondContact NZ-O 3.28Å; P400-E404 VanDerWaalsContact O-CB 3.31Å; P400-E404 WeakPolarHBondContact O-CB 3.31Å; P400-E404 PolarHBondContact O-N 3.49Å
405M95.4Very high73.7Confident18 Ų1881.5 Ų81.59%0.08950%0.503CS..Hα-helixtrans-91-30.1-174.1-70.4-58.8-55.200114.3I228 L253 K254 C257 L401 Q403I228-M405 HydrophobicContact CG2-CB 4.34Å; I228-M405 HydrophobicContact CG2-CG 3.8Å; L253-M405 HydrophobicContact CB-CE 3.84Å; K254-M405 HydrophobicContact CG-CE 4.13Å; K254-M405 HydrophobicContact CG-SD 4.22Å; C257-M405 HydrophobicContact CB-CE 4.05Å; L401-M405 HydrophobicContact CD1-CG 3.8Å; L401-M405 HydrophobicContact CG-CG 4.31Å; L401-M405 VanDerWaalsContact O-CB 3.23Å; L401-M405 WeakPolarHBondContact O-CB 3.48Å; L401-M405 VanDerWaalsContact O-CG 3.27Å; L401-M405 WeakPolarHBondContact O-CG 3.27Å; L401-M405 PolarHBondContact O-N 3.35Å; Q403-M405 VanDerWaalsContact C-N 3.31Å; Q403-M405 PolarHBondContact O-N 2.96Å
406L92.2Very high71.2Confident15 Ų1581.4 Ų81.48%0.07951%0.511CS..Hα-helixtrans-115.3-9-168.6-50-177.3000113.9I228 C257 L258 L261 V387 I402I228-L406 HydrophobicContact CD1-CD1 4.44Å; C257-L406 HydrophobicContact CB-CD2 3.88Å; L258-L406 HydrophobicContact CB-CD2 4.24Å; L258-L406 HydrophobicContact CD1-CD1 3.92Å; L258-L406 HydrophobicContact CD1-CD2 3.98Å; L258-L406 HydrophobicContact CD1-CG 4.49Å; L261-L406 HydrophobicContact CD1-CD1 4.48Å; L261-L406 HydrophobicContact CD1-CD2 4.41Å; V387-L406 HydrophobicContact CG1-CB 4.42Å; V387-L406 HydrophobicContact CG2-CB 4.13Å; V387-L406 HydrophobicContact CG2-CD1 4.32Å; I402-L406 HydrophobicContact CG2-CD1 3.83Å; I402-L406 HydrophobicContact CG2-CG 4.48Å; I402-L406 VanDerWaalsContact O-CB 3.25Å; I402-L406 WeakPolarHBondContact O-CB 3.5Å; I402-L406 WeakPolarHBondContact O-CG 3.26Å; I402-L406 PolarHBondContact O-N 3Å
407E84.9Confident68.6Low42 Ų4284 Ų8420%0.19653%0.527CS..SBendtrans-89.1119.9169.5-70.5164.9-146.600110.3V387 K391 Q403 S409V387-E407 HydrophobicContact CG1-CG 4.07Å; K391-E407 VanDerWaalsContact CE-CD 3.47Å; K391-E407 WeakPolarHBondContact CE-OE1 3.49Å; K391-E407 IonicContact NZ-OE1 2.6Å; K391-E407 PolarHBondContact NZ-OE1 3.1Å; K391-E407 IonicContact NZ-OE2 2.82Å; K391-E407 PolarHBondContact NZ-OE2 3.28Å; Q403-E407 WeakPolarHBondContact CA-OE1 3.23Å; Q403-E407 VanDerWaalsContact CB-OE1 3.25Å; Q403-E407 WeakPolarHBondContact CB-OE1 3.46Å; Q403-E407 VanDerWaalsContact CG-CD 3.48Å; Q403-E407 WeakPolarHBondContact CG-OE1 3.41Å; Q403-E407 WeakPolarHBondContact CG-OE2 3.41Å; Q403-E407 PolarHBondContact NE2-OE2 3.35Å; Q403-E407 VanDerWaalsContact O-CB 3.28Å; Q403-E407 WeakPolarHBondContact O-CB 3.44Å; Q403-E407 PolarHBondContact O-N 3.44Å; Q403-E407 VanDerWaalsContact O-N 3.15Å; E407-S409 PolarHBondContact O-N 2.6Å; E407-S409 VanDerWaalsContact O-N 3.15Å
408N68.6Low65.8Low117 Ų11782.7 Ų82.763%0.62653%0.53SS*.  trans-66.5114.6169-65.1-5.2000107.9E410N408-E410 PolarHBondContact O-N 3.06Å
409S53.9Low62.8Low104 Ų10488 Ų8873%0.72757%0.568SS**G310 helixtrans-64.3-3.9171.833.60000113.5E407 G411E407-S409 PolarHBondContact O-N 2.6Å; E407-S409 VanDerWaalsContact O-N 3.15Å; S409-G411 PolarHBondContact O-N 3.31Å
410E47.8Very low59.7Low128 Ų12898.2 Ų98.260%0.59860%0.603SS**G310 helixtrans-90.613.9-167.5-56.3-159.2121.400115.7N408N408-E410 PolarHBondContact O-N 3.06Å
411G39.4Very low56.9Low67 Ų6799.3 Ų99.369%0.69161%0.61SS**G310 helixtrans-111.4-14.6-170.400000118.3S409S409-G411 PolarHBondContact O-N 3.31Å
412L33.7Very low54Low166 Ų166103.1 Ų103.187%0.86964%0.64SS**SBendtrans-126.99.6-162.4-140.277.6000116.8
413E34.5Very low50.9Low193 Ų193106.5 Ų106.590%0.90268%0.678SS**SBendtrans-110.221.8178-67.7-138.8126.800114.7
414S31.8Very low47.9Very low134 Ų134107.9 Ų107.994%0.93770%0.702SS**SBendtrans-11616.3174.4-76.60000115.1
415G32Very low45.2Very low76 Ų76108 Ų10878%0.78471%0.713SS**SBendtrans-118.5-9.1-175.300000117.6
416A33.5Very low42.6Very low106 Ų106113.6 Ų113.688%0.87675%0.751SS**SBendtrans-137.351.4-168.800000113.9
417A35.7Very low39.8Very low109 Ų109116.6 Ų116.690%0.90179%0.785SS**  trans-143.384.2164.300000109.4
418G31.9Very low37.3Very low78 Ų78120 Ų12080%0.80481%0.813SS**  trans-16639.6-172.900000116.5
419S30.9Very low35.5Very low117 Ų117120.5 Ų120.582%0.81882%0.824SS**  trans-172.192.8157.243.20000111.8
420R30.6Very low34.5Very low243 Ų243120.9 Ų120.992%0.91783%0.827SS**  trans-118.5128153.8-85-172.9174.1-175.9-0.7108
421P37.6Very low34.9Very low127 Ų127120.2 Ų120.283%0.82583%0.834SS**  trans-79.4141.8173.532.4-30.5000110.4
422S34.6Very low34.5Very low125 Ų125122 Ų12287%0.87484%0.836SS**  trans-46144.4160.4-32.80000110.1
423G31.4Very low34.4Very low80 Ų80121.9 Ų121.983%0.82584%0.835SS**  cis140.3121.222.300000106.2
424A30.5Very low34.5Very low103 Ų103118 Ų11885%0.85183%0.829SS**  trans-161144.4162.900000110.9
425P38.3Very low35.3Very low121 Ų121117 Ų11779%0.78682%0.82SS**  trans-98.4170.8-160.538.1-31.1000114.3
426P41.5Very low35.4Very low135 Ų135118.7 Ų118.788%0.87782%0.82SS**  trans-88.7139.2-171.934.5-30.7000112.6
427G31.6Very low35.6Very low78 Ų78119.2 Ų119.280%0.80482%0.817SS**  trans-144.3130.217300000110.5
428S33.6Very low35.6Very low113 Ų113118.4 Ų118.479%0.7981%0.81SS**  trans-64.2147.4-175.149.20000116.1
429C30.3Very low35.7Very low127 Ų127123.6 Ų123.686%0.85881%0.814SS**  165130.3125.5-86.40000112.4
430S33.5Very low35.9Very low113 Ų113123 Ų12379%0.7981%0.809SS**  trans-76-166.9173.8-43.40000112.6
431P55.5Low36.4Very low114 Ų114117 Ų11774%0.7480%0.804SS**  cis-125.9178.2-49.927.1-7.1000111.6
432S30.6Very low37.1Very low104 Ų104117.1 Ų117.173%0.72781%0.805SS**  151.7150.8119.664.10000116.3
433L32.8Very low37.6Very low163 Ų163115 Ų11585%0.85380%0.796SS**  trans87.294.7157-52.9179.1000120.2
434S36.3Very low38.3Very low111 Ų111117.3 Ų117.378%0.77679%0.794SS**  trans-69.4165.6140.5-36.40000110.2
435P48.7Very low38.9Very low114 Ų114121.3 Ų121.374%0.7480%0.795SS**  -150.9152.274.635.5-14000118.3
436S34.3Very low38.6Very low111 Ų111120.7 Ų120.778%0.77679%0.793SS**  trans52.9123.3131.2-520000123.7
437S37.1Very low39.5Very low118 Ų118123.9 Ų123.983%0.82581%0.814SS**  169.4111.9123.532.90000108.2
438A35.2Very low39.8Very low91 Ų91126.2 Ų126.275%0.75281%0.814SS**  73.8122.761.700000114.9
439Q35.1Very low40.2Very low188 Ų188126.8 Ų126.888%0.87982%0.816SS**  trans79140.7160.9-62.6179.2-9.700116.8
440S34.9Very low40.7Very low104 Ų104126.8 Ų126.873%0.72781%0.813SS**  cis-177.8141.80.938.10000107.6
441S40.9Very low41.1Very low116 Ų116127.6 Ų127.681%0.81182%0.815SS**  trans-69.2163.7161.3-48.10000110.9
442P53Low40.3Very low130 Ų130128.5 Ų128.584%0.84482%0.819SS**  -142.6165109.734.8-19.4000114.4
443A43.9Very low40.9Very low82 Ų82130.1 Ų130.168%0.67883%0.825SS**  trans-103.9160.917700000111.9
444T46.4Very low41.5Very low127 Ų127127.8 Ų127.878%0.77982%0.823SS**  trans71.2120154560000120.6
445Q42.8Very low41.9Very low188 Ų188129.1 Ų129.188%0.87983%0.827SS**  -179.6155.996.4-93.9-174.55.400112.1
446S32.3Very low41.3Very low108 Ų108130.3 Ų130.376%0.75583%0.834SS**  trans-66.8-177.8-166.1-38.60000116.6
447P59.5Low41.9Very low201 Ų201132.1 Ų132.1100%1.30584%0.839SS**  -118.30933.116.8000114.6

Retrieved 447 of 447 residues in 154.6 ms (Link to these results)