A0A096N1Z9_PAPAN Loading...

Ribosome binding factor A

AlphaFold DB , UniProt , Accession A0A096N1Z9, Species PAPAN (Papio anubis, Olive baboon), Gene RBFA, Length 341 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low36.6Very low235 Ų235149.6 Ų149.6100%1.15890%0.902SS**  0970-73.3161.295.600108.6
2W37.2Very low36.8Very low268 Ų268158.8 Ų158.8100%1.01591%0.908SS**  trans-142.8129.8156.6-85.479.5000106.7
3A35.9Very low36.6Very low99 Ų99154.8 Ų154.882%0.81891%0.907SS**  trans-92.4154.7-160.500000113
4V38Very low36.4Very low144 Ų144148.9 Ų148.987%0.87390%0.895SS**  trans-59.2137169164.50000111.3
5A40.4Very low36.4Very low100 Ų100149.6 Ų149.683%0.82689%0.891SS**  trans-119.5121.5160.400000109
6G33.4Very low36.4Very low78 Ų78153.6 Ų153.680%0.80489%0.885SS**  trans-84.9171.2171.800000112.5
7G33.8Very low36.3Very low82 Ų82149.4 Ų149.485%0.84588%0.883SS**  trans-175100.7172.100000111.7
8L37.2Very low36.4Very low173 Ų173148.9 Ų148.991%0.90688%0.875SS**  trans-106.8109.3-175.8-170.898.7000108.7
9W38.5Very low36.6Very low263 Ų263150.4 Ų150.4100%0.99688%0.878SS**  trans-126.3138.5167.9-77.116.3000106.5
10G33.6Very low36.4Very low77 Ų77154.7 Ų154.779%0.79488%0.878SS**  cis153.3123.511.500000106.3
11S36.3Very low36.6Very low127 Ų127152.3 Ų152.389%0.88887%0.872SS**  trans-67.2148.8-177.6-59.20000113.8
12R38.2Very low37Very low259 Ų259145.7 Ų145.798%0.97785%0.846SS**  trans-144.3140.9150.6-98.8-170.1176.7-162.5-0.5112.2
13A34.4Very low37Very low108 Ų108143.4 Ų143.489%0.89384%0.839SS**  trans-102.5168.8-174.500000112.8
14G33.9Very low36.9Very low71 Ų71143 Ų14373%0.73284%0.836SS**  trans132.2136.9167.300000111
15L37.3Very low36.8Very low160 Ų160140.1 Ų140.184%0.83883%0.827SS**  cis-166.4142.916.4-104152.1000109.5
16R35.6Very low36.7Very low213 Ų213142.9 Ų142.980%0.80483%0.827SS**  trans42.1132.7140.9-96.6174.1-172.1-95.6-0.9122.8
17G34.3Very low37Very low82 Ų82146.7 Ų146.785%0.84583%0.828SS**  trans-174.692.6149.500000111.8
18L39.4Very low37.7Very low142 Ų142148.6 Ų148.674%0.74383%0.826SS**  trans-82.5138.8177.7-73.1157.6000110.6
19L39.1Very low37.6Very low177 Ų177144.2 Ų144.293%0.92782%0.822SS**  trans-139.2127.8144.9-135.384.8000110.8
20R33.3Very low37.4Very low235 Ų235138 Ų13889%0.88782%0.817SS**  trans-72.4143.8178.4-163176.3176.1164.5-2.1108.4
21S40.9Very low37.8Very low105 Ų105138 Ų13873%0.73481%0.81SS**  171.2165.781.2-140.70000110.8
22P46Very low38.3Very low96 Ų96143.5 Ų143.562%0.62381%0.811SS**  trans-111.9178.2-157.344-35.4000114.7
23Y36.7Very low38.2Very low221 Ų221135 Ų13587%0.86780%0.804SS**  trans176.3111.3136.3-90.5-70.9000106.5
24A35.2Very low38.8Very low91 Ų91135.2 Ų135.275%0.75279%0.794SS**  46.6130.591.100000112.7
25A36Very low39.1Very low83 Ų83140.9 Ų140.969%0.68680%0.801SS**  cis-173.1157.729.500000111.4
26L38Very low38.9Very low157 Ų157137 Ų13782%0.82280%0.8SS**  trans75.799.7142-57.8166000122.2
27L39.9Very low39.5Very low159 Ų159132.2 Ų132.283%0.83280%0.799SS**  25.1168.9116-64176.1000121.2
28P48.2Very low39.8Very low122 Ų122133.1 Ų133.179%0.79280%0.798SS**  cis-134.8179.8-9.626-1.6000113.5
29G33.8Very low39.9Very low81 Ų81132.6 Ų132.684%0.83580%0.801SS**  trans172.2104.8163.200000116.1
30C35Very low40.5Very low131 Ų131129.3 Ų129.389%0.88578%0.783SS**  trans-89157.6177.7-166.80000111.8
31A41.7Very low41.1Very low78 Ų78124.1 Ų124.165%0.64578%0.782SS**  trans95.6117.8148.200000121.5
32R46.4Very low41.9Very low242 Ų242126.6 Ų126.691%0.91378%0.779SS**  54.9124.8128.9-107.9179.6-81.9-116.90.5120.7
33G36.6Very low42.6Very low80 Ų80127.5 Ų127.583%0.82578%0.779SS**  trans-164.6119.4157.200000110.8
34V47Very low43.4Very low114 Ų114125.5 Ų125.569%0.69177%0.77SS**  trans-109.1136.5-167178.10000109.6
35H40.1Very low44.4Very low190 Ų190128.3 Ų128.388%0.8877%0.772SS**  trans51.8121.5161.5-64-54.3000122
36G33Very low45.5Very low78 Ų78131.7 Ų131.780%0.80477%0.771SS**  trans-158.4112.3156.100000110.7
37S49.3Very low46.5Very low113 Ų113131.4 Ų131.479%0.7976%0.763SS**  trans-65137.9-175.6171.80000113.9
38A39.5Very low47.3Very low101 Ų101131.7 Ų131.784%0.83576%0.758SS**  trans-139.5105.1153.400000108.9
39V42.8Very low47.8Very low130 Ų130129.6 Ų129.679%0.78875%0.751SS**  trans-64.8132.7178.8173.70000110.4
40L49.9Very low48.8Very low108 Ų108130 Ų13057%0.56574%0.741SS**  trans-58.8121170.3-170.189.3000111.7K42L40-K42 HydrophobicContact CD1-CD 4.08Å; L40-K42 HydrophobicContact CD1-CG 4.19Å
41C46.5Very low50Low126 Ų126131.6 Ų131.685%0.85173%0.733SS**  trans-131.362.4152.5-92.30000109.9N43C41-N43 PolarHBondContact O-N 3.42Å
42K57.5Low50.8Low157 Ų157133.9 Ų133.968%0.68374%0.739SS**  trans-74.5117161.5-67.3-179.8-177.61760106.7L40 W44L40-K42 HydrophobicContact CD1-CD 4.08Å; L40-K42 HydrophobicContact CD1-CG 4.19Å; K42-W44 PolarHBondContact O-N 3.41Å; K42-W44 PolarHBondContact O-NE1 3.02Å
43N61.5Low51.6Low116 Ų116131.3 Ų131.362%0.6273%0.734SS**  trans-68.688.6-178.241.217000112.6C41 L45 K46C41-N43 PolarHBondContact O-N 3.42Å; N43-L45 PolarHBondContact O-N 3.14Å; N43-L45 VanDerWaalsContact O-N 3.14Å; N43-K46 PolarHBondContact O-N 3.12Å; N43-K46 VanDerWaalsContact O-N 3.12Å
44W52.5Low52.8Low178 Ų178136.1 Ų136.167%0.67473%0.733SS**THydrogen-bonded Turntrans-58.3-23.3177.3-65.876.7000113.8K42 K46 K47K42-W44 PolarHBondContact O-N 3.41Å; K42-W44 PolarHBondContact O-NE1 3.02Å; W44-K46 VanDerWaalsContact C-N 3.28Å; W44-K46 PolarHBondContact O-N 3.19Å; W44-K47 WeakPolarHBondContact O-CB 3.49Å; W44-K47 PolarHBondContact O-N 3.18Å
45L58Low53.5Low150 Ų150138.9 Ų138.979%0.78574%0.735SS**Hα-helixtrans-61.1-31.9174.9-88.5147.2000113.3N43 K47 F48 A49N43-L45 PolarHBondContact O-N 3.14Å; N43-L45 VanDerWaalsContact O-N 3.14Å; L45-K47 PolarHBondContact O-N 2.73Å; L45-F48 PolarHBondContact O-N 3.34Å; L45-A49 PolarHBondContact O-N 3.29Å
46K58.9Low54.2Low154 Ų154136.6 Ų136.667%0.6772%0.723SS**Hα-helixtrans-71-20.4179.4-153.5172-174.4178.60112.6N43 W44 S50N43-K46 PolarHBondContact O-N 3.12Å; N43-K46 VanDerWaalsContact O-N 3.12Å; W44-K46 VanDerWaalsContact C-N 3.28Å; W44-K46 PolarHBondContact O-N 3.19Å; K46-S50 PolarHBondContact O-OG 3.31Å
47K58.4Low55.7Low152 Ų152143.7 Ų143.766%0.66173%0.726SS**Hα-helixtrans-79.8-21.9174-73.5-169.9168.1-176.90113.5W44 L45W44-K47 WeakPolarHBondContact O-CB 3.49Å; W44-K47 PolarHBondContact O-N 3.18Å; L45-K47 PolarHBondContact O-N 2.73Å
48F57.6Low55.9Low164 Ų164147.9 Ų147.972%0.71973%0.726SS**Hα-helixtrans-82.5-37172.8-77.1-80.7000111.9L45 S50 K51L45-F48 PolarHBondContact O-N 3.34Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 3.32Å; F48-K51 PolarHBondContact O-N 3.33Å
49A56.9Low56.6Low78 Ų78152.2 Ų152.265%0.64573%0.728SS**Hα-helixtrans-68.9-21.6177.800000114L45 K51L45-A49 PolarHBondContact O-N 3.29Å; A49-K51 VanDerWaalsContact C-N 3.35Å
50S55.5Low57.1Low89 Ų89147.7 Ų147.762%0.62271%0.708SS**THydrogen-bonded Turntrans-89.54.4178.535.40000114K46 F48K46-S50 PolarHBondContact O-OG 3.31Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 3.32Å
51K60.8Low57.9Low165 Ų165149.2 Ų149.272%0.71772%0.724SS**  trans-102.957.7174.2-66.2-99.5-177.6171.10110.6F48 A49 K53F48-K51 PolarHBondContact O-N 3.33Å; A49-K51 VanDerWaalsContact C-N 3.35Å; K51-K53 PolarHBondContact O-N 3.08Å; K51-K53 VanDerWaalsContact O-N 3.08Å
52T58Low58.2Low127 Ų127147.8 Ų147.878%0.77972%0.716SS**  trans-7410.8176.152.50000114.4
53K62.6Low58Low188 Ų188148.9 Ų148.982%0.81773%0.728SS**  trans-13879.4171.7-70-173.9178.1175.80110.7K51 K55K51-K53 PolarHBondContact O-N 3.08Å; K51-K53 VanDerWaalsContact O-N 3.08Å; K53-K55 PolarHBondContact O-N 3.41Å
54K62.5Low57.1Low181 Ų181147 Ų14779%0.78774%0.737SS**  trans-65.5120.1158.2-171.6175.7178.5179.20106.5F56K54-F56 VanDerWaalsContact C-N 3.35Å; K54-F56 PolarHBondContact O-N 2.96Å
55K62.1Low57.2Low171 Ų171144.8 Ų144.874%0.74375%0.748SS**  trans-69.399.6171.6-70.3-163.2178.4-174.90107.1K53 W57K53-K55 PolarHBondContact O-N 3.41Å; K55-W57 VanDerWaalsContact O-CD1 3.29Å; K55-W57 PolarHBondContact O-N 3.37Å
56F55.2Low56.7Low143 Ų143144.9 Ų144.963%0.62775%0.745SS**  trans-71.5116.3177.3-147.8-120000106.4K54 Y58K54-F56 VanDerWaalsContact C-N 3.35Å; K54-F56 PolarHBondContact O-N 2.96Å; F56-Y58 VanDerWaalsContact C-N 3.3Å; F56-Y58 WeakPolarHBondContact CD1-O 2.67Å; F56-Y58 WeakPolarHBondContact CE1-O 2.82Å
57W64.5Low56.4Low226 Ų226146.1 Ų146.186%0.85676%0.757SS**SBendtrans-88.14.2-175.4-76.9100.4000113.3K55K55-W57 VanDerWaalsContact O-CD1 3.29Å; K55-W57 PolarHBondContact O-N 3.37Å
58Y52.4Low56Low202 Ų202142.8 Ų142.879%0.79275%0.75SS**SBendtrans-147.4139.5173.9-95.6-82.8000109.4F56 G60F56-Y58 VanDerWaalsContact C-N 3.3Å; F56-Y58 WeakPolarHBondContact CD1-O 2.67Å; F56-Y58 WeakPolarHBondContact CE1-O 2.82Å; Y58-G60 PolarHBondContact O-N 2.92Å
59E54Low55.9Low191 Ų191142.5 Ų142.589%0.89375%0.745SS**  trans-69.9119176.3-147.370.4-161.700109.9
60G52.9Low56Low35 Ų35147.3 Ų147.336%0.36175%0.751SS.*  trans-112.5130-17900000109.7Y58 S62Y58-G60 PolarHBondContact O-N 2.92Å; G60-S62 VanDerWaalsContact C-N 3.34Å; G60-S62 PolarHBondContact O-N 3.31Å
61P67.2Low55.8Low140 Ų140145.8 Ų145.891%0.90974%0.739SS**  trans-79.882.5-174.432-32.2000109.8
62S53.4Low56Low97 Ų97140.8 Ų140.868%0.67873%0.725SS**  trans-150.7111.416466.50000112.4G60G60-S62 VanDerWaalsContact C-N 3.34Å; G60-S62 PolarHBondContact O-N 3.31Å
63L53.1Low56.2Low179 Ų179143.7 Ų143.794%0.93773%0.727SS**  trans78.9108.7147.9-57.8166.4000117.9
64G41.9Very low56.1Low77 Ų77139.9 Ų139.979%0.79472%0.715SS**  trans146.178.3154.100000114.5H66G64-H66 PolarHBondContact O-N 2.94Å
65S54.4Low55.9Low132 Ų132134 Ų13492%0.92369%0.69SS**  trans-62.392.5166.651.40000110.9
66H47.8Very low55.9Low152 Ų152130.5 Ų130.570%0.70468%0.679SS**  trans-128.2101.2160-168.4-91.5000108.9G64 T68G64-H66 PolarHBondContact O-N 2.94Å; H66-T68 PolarHBondContact O-N 2.82Å
67L53.8Low56Low179 Ų179129.1 Ų129.194%0.93768%0.678SS**  trans-66.874.2-179.2-157.480.2000110.4
68T49.3Very low55.7Low83 Ų83124.1 Ų124.151%0.50967%0.666SS.*  trans-120.495.5157.452.70000106.6H66 K70H66-T68 PolarHBondContact O-N 2.82Å; T68-K70 PolarHBondContact O-N 2.89Å
69Y55.1Low55.9Low158 Ų158119.7 Ų119.762%0.6265%0.65SS**  trans-57.290.8169.7177-100000108.2P71 E75 K79Y69-P71 HydrophobicContact CE1-CB 4.15Å; Y69-P71 WeakPolarHBondContact O-CD 3.37Å; Y69-E75 VanDerWaalsContact CZ-OE2 3.3Å; Y69-E75 PolarHBondContact OH-OE1 2.78Å; Y69-E75 PolarHBondContact OH-OE2 3.04Å; Y69-K79 PolarHBondContact OH-NZ 3.33Å
70K60.5Low55.7Low178 Ų178115.8 Ų115.877%0.77464%0.64SS**  trans-82.9108.2162.4-75.6-173.5177.1177.90104.7T68 S72T68-K70 PolarHBondContact O-N 2.89Å; K70-S72 PolarHBondContact O-N 2.58Å
71P49.8Very low55.5Low57 Ų57118.5 Ų118.537%0.3765%0.65SS.*  trans-59.2122.1177.125.7-32000106.8Y69 E75Y69-P71 HydrophobicContact CE1-CB 4.15Å; Y69-P71 WeakPolarHBondContact O-CD 3.37Å; P71-E75 VanDerWaalsContact CA-OE2 3.29Å; P71-E75 WeakPolarHBondContact CA-OE2 3.29Å; P71-E75 HydrophobicContact CB-CB 4.41Å; P71-E75 WeakPolarHBondContact CB-OE2 3.49Å
72S64.9Low54.7Low60 Ų60116.1 Ų116.142%0.4264%0.636SS.*  trans-60150.5-179.3690000108.5K70 L74 E75 L76K70-S72 PolarHBondContact O-N 2.58Å; S72-L74 PolarHBondContact O-N 3.29Å; S72-E75 WeakPolarHBondContact O-CB 3.45Å; S72-E75 PolarHBondContact O-N 3.25Å; S72-E75 PolarHBondContact OG-N 2.96Å; S72-L76 PolarHBondContact O-N 3.09Å
73K63.9Low54.9Low188 Ų188118.8 Ų118.882%0.81764%0.636SS**Hα-helixtrans-53.8-24176.1-166.1175.4-178.5-178.10112.1L77K73-L77 PolarHBondContact O-N 2.82Å; K73-L77 VanDerWaalsContact O-N 3.09Å
74L58.9Low55.1Low109 Ų109119.6 Ų119.657%0.57163%0.632SS**Hα-helixtrans-73.5-38.4175-168.7137.5000112.7S72 L76 L77 M78S72-L74 PolarHBondContact O-N 3.29Å; L74-L76 VanDerWaalsContact C-N 3.35Å; L74-L77 WeakPolarHBondContact O-CB 3.36Å; L74-L77 PolarHBondContact O-N 2.88Å; L74-M78 HydrophobicContact CD2-CE 4.44Å; L74-M78 HydrophobicContact CD2-CG 4.3Å; L74-M78 HydrophobicContact CD2-SD 3.7Å; L74-M78 WeakPolarHBondContact O-CB 3.43Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 2.84Å
75E59.8Low56Low56 Ų56119.8 Ų119.826%0.26262%0.618SS.*Hα-helixtrans-65.6-36.6171.7-101.3-171.3145.800112.6Y69 P71 S72 M78 K79Y69-E75 VanDerWaalsContact CZ-OE2 3.3Å; Y69-E75 PolarHBondContact OH-OE1 2.78Å; Y69-E75 PolarHBondContact OH-OE2 3.04Å; P71-E75 VanDerWaalsContact CA-OE2 3.29Å; P71-E75 WeakPolarHBondContact CA-OE2 3.29Å; P71-E75 HydrophobicContact CB-CB 4.41Å; P71-E75 WeakPolarHBondContact CB-OE2 3.49Å; S72-E75 WeakPolarHBondContact O-CB 3.45Å; S72-E75 PolarHBondContact O-N 3.25Å; S72-E75 PolarHBondContact OG-N 2.96Å; E75-M78 PolarHBondContact O-N 3.48Å; E75-K79 VanDerWaalsContact O-CB 3.23Å; E75-K79 WeakPolarHBondContact O-CB 3.23Å; E75-K79 WeakPolarHBondContact O-CD 3.28Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.17Å; E75-K79 IonicContact OE1-NZ 3.92Å
76L61.3Low56.8Low98 Ų98122.1 Ų122.151%0.51361%0.606SS.*Hα-helixtrans-66.8-38.9172.8-75.3167.7000111.2S72 L74 K79 T80S72-L76 PolarHBondContact O-N 3.09Å; L74-L76 VanDerWaalsContact C-N 3.35Å; L76-K79 PolarHBondContact O-N 2.88Å; L76-T80 VanDerWaalsContact O-CG2 3.28Å; L76-T80 WeakPolarHBondContact O-CG2 3.41Å; L76-T80 PolarHBondContact O-N 3.23Å; L76-T80 PolarHBondContact O-OG1 3.46Å
77L57.9Low58Low115 Ų115124 Ų12460%0.60261%0.612SS**Hα-helixtrans-64.5-43.8174.7-162.4110.9000111.4K73 L74 T80 T81K73-L77 PolarHBondContact O-N 2.82Å; K73-L77 VanDerWaalsContact O-N 3.09Å; L74-L77 WeakPolarHBondContact O-CB 3.36Å; L74-L77 PolarHBondContact O-N 2.88Å; L77-T80 WeakPolarHBondContact CA-OG1 3.18Å; L77-T80 PolarHBondContact O-N 2.65Å; L77-T80 PolarHBondContact O-OG1 3.11Å; L77-T81 PolarHBondContact O-N 3.47Å
78M57.3Low59.1Low121 Ų121122.4 Ų122.460%0.59660%0.6SS**Hα-helixtrans-67.6-38.8176.8-72.4-172.2140.300112.3L74 E75 T80 T81L74-M78 HydrophobicContact CD2-CE 4.44Å; L74-M78 HydrophobicContact CD2-CG 4.3Å; L74-M78 HydrophobicContact CD2-SD 3.7Å; L74-M78 WeakPolarHBondContact O-CB 3.43Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 2.84Å; E75-M78 PolarHBondContact O-N 3.48Å; M78-T80 VanDerWaalsContact C-N 3.32Å; M78-T80 PolarHBondContact O-N 3.18Å; M78-T81 PolarHBondContact O-N 2.7Å; M78-T81 VanDerWaalsContact O-N 3.11Å; M78-T81 PolarHBondContact O-OG1 3.24Å
79K57.1Low60.7Low108 Ų108120.7 Ų120.747%0.4759%0.588SS.*Hα-helixtrans-68.5-28.2172.5-72.9164.2176.5167.20112.3Y69 E75 L76 T81 S82Y69-K79 PolarHBondContact OH-NZ 3.33Å; E75-K79 VanDerWaalsContact O-CB 3.23Å; E75-K79 WeakPolarHBondContact O-CB 3.23Å; E75-K79 WeakPolarHBondContact O-CD 3.28Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.17Å; E75-K79 IonicContact OE1-NZ 3.92Å; L76-K79 PolarHBondContact O-N 2.88Å; K79-T81 VanDerWaalsContact C-N 3.28Å; K79-T81 PolarHBondContact O-N 2.83Å; K79-S82 PolarHBondContact O-N 3.48Å; K79-S82 PolarHBondContact O-OG 3.34Å
80T50.3Low62.2Low109 Ų109118.3 Ų118.367%0.66958%0.582SS**Hα-helixtrans-75.1-15.7170.554.70000113.8L76 L77 M78L76-T80 VanDerWaalsContact O-CG2 3.28Å; L76-T80 WeakPolarHBondContact O-CG2 3.41Å; L76-T80 PolarHBondContact O-N 3.23Å; L76-T80 PolarHBondContact O-OG1 3.46Å; L77-T80 WeakPolarHBondContact CA-OG1 3.18Å; L77-T80 PolarHBondContact O-N 2.65Å; L77-T80 PolarHBondContact O-OG1 3.11Å; M78-T80 VanDerWaalsContact C-N 3.32Å; M78-T80 PolarHBondContact O-N 3.18Å
81T48.7Very low63.6Low93 Ų93114.5 Ų114.557%0.57157%0.573SS**THydrogen-bonded Turntrans-85.1-5.7170.262.80000113.9L77 M78 K79 K83L77-T81 PolarHBondContact O-N 3.47Å; M78-T81 PolarHBondContact O-N 2.7Å; M78-T81 VanDerWaalsContact O-N 3.11Å; M78-T81 PolarHBondContact O-OG1 3.24Å; K79-T81 VanDerWaalsContact C-N 3.28Å; K79-T81 PolarHBondContact O-N 2.83Å; T81-K83 WeakPolarHBondContact O-CG 3.45Å; T81-K83 PolarHBondContact O-N 3.25Å
82S50Low65.5Low90 Ų90117.5 Ų117.563%0.62958%0.577SS**SBendtrans-72.485.116270.30000107.1K79 K84K79-S82 PolarHBondContact O-N 3.48Å; K79-S82 PolarHBondContact O-OG 3.34Å; S82-K84 PolarHBondContact O-N 3.11Å
83K58Low66.6Low152 Ų152115.4 Ų115.466%0.66156%0.562SS**  trans-61.197.7-173.8-62.5176.5-170.21670108.6T81 T85 D132T81-K83 WeakPolarHBondContact O-CG 3.45Å; T81-K83 PolarHBondContact O-N 3.25Å; K83-T85 VanDerWaalsContact C-N 3.29Å; K83-T85 PolarHBondContact O-N 2.83Å; K83-D132 IonicContact NZ-OD1 2.71Å
84K57.1Low67.9Low197 Ų197114.8 Ų114.886%0.85756%0.555SS**  trans-60.2102.2157.4-176.2177.8-176.6172.20105.6S82 R86S82-K84 PolarHBondContact O-N 3.11Å; K84-R86 PolarHBondContact O-N 2.87Å; K84-R86 VanDerWaalsContact O-N 3.08Å
85T60.9Low69.5Low81 Ų81112.3 Ų112.350%0.49755%0.55SS..  trans-43.7118178.5420000108.5K83 P131K83-T85 VanDerWaalsContact C-N 3.29Å; K83-T85 PolarHBondContact O-N 2.83Å; T85-P131 HydrophobicContact CG2-CB 3.64Å; T85-P131 HydrophobicContact CG2-CG 4.23Å
86R69.5Low70.9Confident181 Ų181110.7 Ų110.768%0.68354%0.543SS*.  trans-66.3146.9178.6-74.8-175.1159-154.5-2.8107.1K84 E88 D89 H90K84-R86 PolarHBondContact O-N 2.87Å; K84-R86 VanDerWaalsContact O-N 3.08Å; R86-E88 PolarHBondContact O-N 3.08Å; R86-D89 PolarHBondContact N-OD2 3.44Å; R86-D89 WeakPolarHBondContact O-CA 3.48Å; R86-D89 WeakPolarHBondContact O-CB 3.36Å; R86-D89 PolarHBondContact O-N 3.23Å; R86-H90 PolarHBondContact O-N 3.48Å
87K74.7Confident72.5Confident191 Ų191107.6 Ų107.683%0.8353%0.527SS*.Hα-helixtrans-53.4-31.4177.6-63.5-178.4178.8-175.80112.1H90 V91K87-H90 WeakPolarHBondContact O-CB 3.29Å; K87-H90 PolarHBondContact O-N 2.94Å; K87-V91 PolarHBondContact O-N 2.97Å
88E77Confident74.1Confident145 Ų145103.9 Ų103.968%0.67852%0.517SS*.Hα-helixtrans-65.8-38.5174-174.1169.5-168.200113.3R86 H90 V91 R92R86-E88 PolarHBondContact O-N 3.08Å; E88-H90 PolarHBondContact O-N 2.91Å; E88-V91 PolarHBondContact O-N 3.33Å; E88-R92 PolarHBondContact O-N 2.85Å
89D82.8Confident75.8Confident47 Ų47102.4 Ų102.425%0.25151%0.51SS..Hα-helixtrans-62.7-35.6174.5-69.1-50.5000111R86 R92 V93R86-D89 PolarHBondContact N-OD2 3.44Å; R86-D89 WeakPolarHBondContact O-CA 3.48Å; R86-D89 WeakPolarHBondContact O-CB 3.36Å; R86-D89 PolarHBondContact O-N 3.23Å; D89-R92 PolarHBondContact O-N 3.04Å; D89-R92 IonicContact OD1-CZ 2.72Å; D89-R92 IonicContact OD1-NE 2.65Å; D89-R92 IonicContact OD1-NH2 2.68Å; D89-R92 PolarHBondContact OD1-NH2 3.45Å; D89-V93 WeakPolarHBondContact O-CB 3.41Å; D89-V93 WeakPolarHBondContact O-CG2 3.32Å; D89-V93 PolarHBondContact O-N 3.46Å
90H86Confident77.5Confident108 Ų10897.4 Ų97.450%0.549%0.489SS..Hα-helixtrans-64.5-42.2175.8-176.3-82.6000112.2R86 K87 E88 R94R86-H90 PolarHBondContact O-N 3.48Å; K87-H90 WeakPolarHBondContact O-CB 3.29Å; K87-H90 PolarHBondContact O-N 2.94Å; E88-H90 PolarHBondContact O-N 2.91Å; H90-R94 WeakPolarHBondContact O-CB 3.31Å; H90-R94 PolarHBondContact O-N 3.31Å
91V89.6Confident79.6Confident98 Ų9895.9 Ų95.959%0.59447%0.471SS*.Hα-helixtrans-64.3-44.9175.9177.80000110.7K87 E88 R94 A95K87-V91 PolarHBondContact O-N 2.97Å; E88-V91 PolarHBondContact O-N 3.33Å; V91-R94 PolarHBondContact O-N 3.43Å; V91-A95 PolarHBondContact O-N 3.09Å
92R88.9Confident81.7Confident120 Ų12097.8 Ų97.845%0.45347%0.472SS..Hα-helixtrans-62-47.5177.3-176.517261.8122.4-5.1111.9E88 D89 R94 A95 L96E88-R92 PolarHBondContact O-N 2.85Å; D89-R92 PolarHBondContact O-N 3.04Å; D89-R92 IonicContact OD1-CZ 2.72Å; D89-R92 IonicContact OD1-NE 2.65Å; D89-R92 IonicContact OD1-NH2 2.68Å; D89-R92 PolarHBondContact OD1-NH2 3.45Å; R92-R94 VanDerWaalsContact C-N 3.3Å; R92-R94 PolarHBondContact O-N 3.07Å; R92-A95 PolarHBondContact O-N 3.4Å; R92-L96 HydrophobicContact CG-CD1 3.91Å; R92-L96 HydrophobicContact CG-CG 4.43Å; R92-L96 WeakPolarHBondContact O-CB 3.18Å; R92-L96 VanDerWaalsContact O-CG 3.27Å; R92-L96 WeakPolarHBondContact O-CG 3.43Å; R92-L96 PolarHBondContact O-N 3.14Å
93V88.9Confident83.7Confident17 Ų1793.9 Ų93.910%0.10345%0.445CS..Hα-helixtrans-60.4-41.3177.1168.50000110.8D89 L96 N97 L129 F133D89-V93 WeakPolarHBondContact O-CB 3.41Å; D89-V93 WeakPolarHBondContact O-CG2 3.32Å; D89-V93 PolarHBondContact O-N 3.46Å; V93-L96 PolarHBondContact O-N 3.21Å; V93-N97 WeakPolarHBondContact O-CB 3.38Å; V93-N97 PolarHBondContact O-N 2.85Å; V93-N97 PolarHBondContact O-ND2 2.96Å; V93-N97 PolarHBondContact O-OD1 3.36Å; V93-L129 HydrophobicContact CG1-CB 4.33Å; V93-F133 HydrophobicContact CG2-CE1 4.1Å; V93-F133 HydrophobicContact CG2-CE2 4.42Å; V93-F133 HydrophobicContact CG2-CZ 3.66Å
94R91.1Very high85.3Confident175 Ų17586.7 Ų86.766%0.6641%0.414SS*.Hα-helixtrans-60.5-48175.4179.8-178.3-74.9-174.5-6.4112H90 V91 R92 L96 N97 G98H90-R94 WeakPolarHBondContact O-CB 3.31Å; H90-R94 PolarHBondContact O-N 3.31Å; V91-R94 PolarHBondContact O-N 3.43Å; R92-R94 VanDerWaalsContact C-N 3.3Å; R92-R94 PolarHBondContact O-N 3.07Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 2.97Å; R94-N97 PolarHBondContact O-N 3.21Å; R94-G98 PolarHBondContact O-N 3.33Å; R94-G98 VanDerWaalsContact O-N 3.16Å
95A91.6Very high87Confident56 Ų5679.1 Ų79.146%0.46338%0.384SS..Hα-helixtrans-61.1-43.5178.100000111.5V91 R92 G98 L99V91-A95 PolarHBondContact O-N 3.09Å; R92-A95 PolarHBondContact O-N 3.4Å; A95-G98 PolarHBondContact O-N 2.82Å; A95-L99 WeakPolarHBondContact O-CG 3.44Å; A95-L99 PolarHBondContact O-N 3.39Å
96L91.3Very high88.5Confident23 Ų2379.7 Ų79.712%0.1238%0.384CS..Hα-helixtrans-67.8-37.7178.9-68.7174.4000112.9R92 V93 R94 G98 L99 L100 L129 F133 M173R92-L96 HydrophobicContact CG-CD1 3.91Å; R92-L96 HydrophobicContact CG-CG 4.43Å; R92-L96 WeakPolarHBondContact O-CB 3.18Å; R92-L96 VanDerWaalsContact O-CG 3.27Å; R92-L96 WeakPolarHBondContact O-CG 3.43Å; R92-L96 PolarHBondContact O-N 3.14Å; V93-L96 PolarHBondContact O-N 3.21Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 2.97Å; L96-G98 VanDerWaalsContact C-N 3.28Å; L96-G98 PolarHBondContact O-N 3.3Å; L96-L99 HydrophobicContact CD2-CD1 4.28Å; L96-L99 PolarHBondContact O-N 3.16Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.1Å; L96-L129 HydrophobicContact CB-CD1 3.6Å; L96-F133 HydrophobicContact CD1-CD1 4.42Å; L96-F133 HydrophobicContact CD1-CE1 3.54Å; L96-F133 HydrophobicContact CD1-CZ 4.28Å; L96-M173 HydrophobicContact CB-SD 4.15Å; L96-M173 HydrophobicContact CD1-SD 3.69Å; L96-M173 HydrophobicContact CD2-CG 3.55Å; L96-M173 HydrophobicContact CD2-SD 3.51Å; L96-M173 VanDerWaalsContact CD2-SD 3.51Å; L96-M173 HydrophobicContact CG-SD 3.96Å
97N93.3Very high89.4Confident32 Ų3271.2 Ų71.217%0.17135%0.352CS..Hα-helixtrans-60-41.4173.1-73.2-14.9000111.1V93 R94 Y101 L129V93-N97 WeakPolarHBondContact O-CB 3.38Å; V93-N97 PolarHBondContact O-N 2.85Å; V93-N97 PolarHBondContact O-ND2 2.96Å; V93-N97 PolarHBondContact O-OD1 3.36Å; R94-N97 PolarHBondContact O-N 3.21Å; N97-Y101 VanDerWaalsContact O-CB 3.23Å; N97-Y101 WeakPolarHBondContact O-CB 3.27Å; N97-Y101 PolarHBondContact O-N 3.32Å; N97-L129 WeakPolarHBondContact OD1-CB 3.45Å; N97-L129 WeakPolarHBondContact OD1-CD1 3.44Å; N97-L129 VanDerWaalsContact OD1-CG 3.28Å; N97-L129 WeakPolarHBondContact OD1-CG 3.4Å; N97-L129 PolarHBondContact OD1-N 2.87Å
98G92.9Very high90.1Very high38 Ų3862.8 Ų62.839%0.39232%0.316SS..Hα-helixtrans-65-4617600000112.8R94 A95 L96 Y101 K102R94-G98 PolarHBondContact O-N 3.33Å; R94-G98 VanDerWaalsContact O-N 3.16Å; A95-G98 PolarHBondContact O-N 2.82Å; L96-G98 VanDerWaalsContact C-N 3.28Å; L96-G98 PolarHBondContact O-N 3.3Å; G98-Y101 PolarHBondContact O-N 3.3Å; G98-K102 WeakPolarHBondContact O-CG 3.37Å; G98-K102 PolarHBondContact O-N 3.33Å
99L92.4Very high90.6Very high89 Ų8959.9 Ų59.947%0.46631%0.311SS..Hα-helixtrans-62.2-44.6176.9-72.9170.4000112.1A95 L96 K102 A103A95-L99 WeakPolarHBondContact O-CG 3.44Å; A95-L99 PolarHBondContact O-N 3.39Å; L96-L99 HydrophobicContact CD2-CD1 4.28Å; L96-L99 PolarHBondContact O-N 3.16Å; L99-K102 PolarHBondContact O-N 3.27Å; L99-A103 WeakPolarHBondContact O-CB 3.49Å; L99-A103 PolarHBondContact O-N 3Å
100L92.1Very high90.8Very high3 Ų360 Ų602%0.01631%0.313CS..Hα-helixtrans-66.5-40.5177.2-77.9176.3000112.2L96 K102 L104 V127 L129 L167 M173L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.1Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 3.1Å; L100-L104 WeakPolarHBondContact O-CB 3.19Å; L100-L104 WeakPolarHBondContact O-CD1 3.4Å; L100-L104 VanDerWaalsContact O-CG 3.23Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 3.32Å; L100-V127 HydrophobicContact CB-CG1 4.03Å; L100-V127 HydrophobicContact CD1-CG1 4.43Å; L100-L129 HydrophobicContact CD1-CD1 3.52Å; L100-L129 HydrophobicContact CD1-CD2 3.67Å; L100-L129 HydrophobicContact CD1-CG 3.64Å; L100-L167 HydrophobicContact CD2-CD1 4.07Å; L100-M173 HydrophobicContact CD1-CE 3.81Å; L100-M173 HydrophobicContact CD2-CE 3.97Å; L100-M173 HydrophobicContact CG-CE 4.1Å
101Y94Very high90.5Very high77 Ų7758.7 Ų58.730%0.30232%0.315SS..Hα-helixtrans-58.3-47.3175.5179.7-87.4000110.8N97 G98 T105 L124 V127N97-Y101 VanDerWaalsContact O-CB 3.23Å; N97-Y101 WeakPolarHBondContact O-CB 3.27Å; N97-Y101 PolarHBondContact O-N 3.32Å; G98-Y101 PolarHBondContact O-N 3.3Å; Y101-T105 VanDerWaalsContact O-CB 3.31Å; Y101-T105 WeakPolarHBondContact O-CB 3.28Å; Y101-T105 PolarHBondContact O-N 3.06Å; Y101-T105 PolarHBondContact O-OG1 2.95Å; Y101-L124 HydrophobicContact CD2-CB 4.5Å; Y101-L124 HydrophobicContact CE2-CB 3.88Å; Y101-L124 PolarHBondContact OH-O 3.01Å; Y101-V127 HydrophobicContact CD2-CG2 3.99Å
102K93.3Very high89.9Confident134 Ų13460.7 Ų60.758%0.58332%0.317SS*.Hα-helixtrans-62.8-54.9178.1-71.9-67.3-176178.60111.6G98 L99 L100 L104 T105 D106G98-K102 WeakPolarHBondContact O-CG 3.37Å; G98-K102 PolarHBondContact O-N 3.33Å; L99-K102 PolarHBondContact O-N 3.27Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 3.1Å; K102-L104 VanDerWaalsContact C-N 3.33Å; K102-L104 PolarHBondContact O-N 2.85Å; K102-T105 PolarHBondContact O-N 3.36Å; K102-T105 VanDerWaalsContact O-N 3.09Å; K102-D106 PolarHBondContact O-N 2.75Å
103A92.6Very high89.4Confident8 Ų856.1 Ų56.17%0.06630%0.303CS..Hα-helixtrans-59.6-42.2-179.100000112.5L99 D106 L107 L167 T172L99-A103 WeakPolarHBondContact O-CB 3.49Å; L99-A103 PolarHBondContact O-N 3Å; A103-D106 PolarHBondContact O-N 3.42Å; A103-L107 WeakPolarHBondContact O-CB 3.38Å; A103-L107 VanDerWaalsContact O-CG 3.24Å; A103-L107 WeakPolarHBondContact O-CG 3.34Å; A103-L107 PolarHBondContact O-N 2.96Å; A103-L167 HydrophobicContact CB-CD2 3.44Å; A103-L167 VanDerWaalsContact CB-CD2 3.44Å; A103-T172 HydrophobicContact CB-CG2 4.41Å
104L91.9Very high89Confident1 Ų156.7 Ų56.71%0.00531%0.307CS..Hα-helixtrans-64.3-44.7174.9-75.5167.5000111.7L100 K102 D106 L107 L108 L124 V127 V138 M163 L167 I179L100-L104 WeakPolarHBondContact O-CB 3.19Å; L100-L104 WeakPolarHBondContact O-CD1 3.4Å; L100-L104 VanDerWaalsContact O-CG 3.23Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 3.32Å; K102-L104 VanDerWaalsContact C-N 3.33Å; K102-L104 PolarHBondContact O-N 2.85Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-D106 PolarHBondContact O-N 3.36Å; L104-L107 WeakPolarHBondContact O-CB 3.27Å; L104-L107 PolarHBondContact O-N 2.95Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.46Å; L104-L108 PolarHBondContact O-N 3.47Å; L104-L124 HydrophobicContact CB-CD1 3.79Å; L104-V127 HydrophobicContact CD1-CG2 4Å; L104-V138 HydrophobicContact CD1-CG1 4.35Å; L104-V138 HydrophobicContact CD1-CG2 3.59Å; L104-M163 HydrophobicContact CD2-SD 4.03Å; L104-L167 HydrophobicContact CD2-CD1 3.75Å; L104-L167 HydrophobicContact CG-CD1 4.1Å; L104-I179 HydrophobicContact CD2-CD1 4.35Å
105T92.6Very high88.7Confident38 Ų3855 Ų5523%0.23331%0.307CS..Hα-helixtrans-60.1-45.7177.8-55.20000110.8Y101 K102 L107 L108 C109Y101-T105 VanDerWaalsContact O-CB 3.31Å; Y101-T105 WeakPolarHBondContact O-CB 3.28Å; Y101-T105 PolarHBondContact O-N 3.06Å; Y101-T105 PolarHBondContact O-OG1 2.95Å; K102-T105 PolarHBondContact O-N 3.36Å; K102-T105 VanDerWaalsContact O-N 3.09Å; T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 PolarHBondContact O-N 3.05Å; T105-L108 PolarHBondContact O-N 2.9Å; T105-L108 VanDerWaalsContact O-N 3.08Å; T105-C109 PolarHBondContact O-N 3.29Å; T105-C109 PolarHBondContact O-SG 2.88Å; T105-C109 VanDerWaalsContact O-SG 3.32Å
106D91.3Very high88.4Confident93 Ų9356.9 Ų56.950%0.49731%0.306SS..Hα-helixtrans-60.9-37.3177.8-60.8-13.4000111.4K102 A103 L104 C109 T110K102-D106 PolarHBondContact O-N 2.75Å; A103-D106 PolarHBondContact O-N 3.42Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-D106 PolarHBondContact O-N 3.36Å; D106-C109 PolarHBondContact O-N 2.99Å; D106-T110 WeakPolarHBondContact O-CB 3.23Å; D106-T110 PolarHBondContact O-N 3.47Å; D106-T110 PolarHBondContact O-OG1 3.19Å
107L90.1Very high88.1Confident3 Ų356 Ų562%0.01630%0.301CS..Hα-helixtrans-69.5-33.8174.4-72.5-175.7000113.8A103 L104 T105 C109 T110 V113 L166 L167A103-L107 WeakPolarHBondContact O-CB 3.38Å; A103-L107 VanDerWaalsContact O-CG 3.24Å; A103-L107 WeakPolarHBondContact O-CG 3.34Å; A103-L107 PolarHBondContact O-N 2.96Å; L104-L107 WeakPolarHBondContact O-CB 3.27Å; L104-L107 PolarHBondContact O-N 2.95Å; T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 PolarHBondContact O-N 3.05Å; L107-C109 VanDerWaalsContact C-N 3.32Å; L107-T110 PolarHBondContact O-N 3.46Å; L107-V113 HydrophobicContact CB-CG2 4.29Å; L107-V113 HydrophobicContact CD2-CG2 4.49Å; L107-L166 HydrophobicContact CD1-CB 4.14Å; L107-L166 HydrophobicContact CD1-CD2 3.99Å; L107-L166 HydrophobicContact CD1-CG 4.09Å; L107-L166 HydrophobicContact CD2-CD2 3.18Å; L107-L166 HydrophobicContact CD2-CG 3.74Å; L107-L166 HydrophobicContact CG-CD2 4.17Å; L107-L167 HydrophobicContact CD1-CD2 4.03Å; L107-L167 HydrophobicContact CD1-CG 4.03Å
108L88.8Confident87.8Confident14 Ų1459.2 Ų59.27%0.07331%0.312CS..Hα-helixtrans-72.2-30.7174.6-60.3170.2000111L104 T105 T110 L117 L124 L156 M163L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.46Å; L104-L108 PolarHBondContact O-N 3.47Å; T105-L108 PolarHBondContact O-N 2.9Å; T105-L108 VanDerWaalsContact O-N 3.08Å; L108-T110 PolarHBondContact O-N 3.28Å; L108-L117 HydrophobicContact CB-CD2 4.05Å; L108-L117 HydrophobicContact CD2-CD1 3.79Å; L108-L117 HydrophobicContact CD2-CD2 3.25Å; L108-L117 HydrophobicContact CD2-CG 3.97Å; L108-L117 HydrophobicContact CG-CD2 4.19Å; L108-L124 HydrophobicContact CD1-CD1 3.62Å; L108-L124 HydrophobicContact CD1-CD2 3.76Å; L108-L124 HydrophobicContact CD1-CG 3.44Å; L108-L124 VanDerWaalsContact CD1-CG 3.44Å; L108-L156 HydrophobicContact CD2-CD2 4.4Å; L108-M163 HydrophobicContact CD2-SD 4.14Å
109C87Confident87.5Confident83 Ų8362.4 Ų62.456%0.56132%0.32SS*.THydrogen-bonded Turntrans-76.6-7172.5-64.10000113.5T105 D106 L107 Y118T105-C109 PolarHBondContact O-N 3.29Å; T105-C109 PolarHBondContact O-SG 2.88Å; T105-C109 VanDerWaalsContact O-SG 3.32Å; D106-C109 PolarHBondContact O-N 2.99Å; L107-C109 VanDerWaalsContact C-N 3.32Å; C109-Y118 WeakPolarHBondContact O-CE2 3.37Å
110T86.6Confident87.1Confident50 Ų5061 Ų6131%0.30731%0.312SS..SBendtrans-114.3131.3-178.7-520000109.7D106 L107 L108 E112D106-T110 WeakPolarHBondContact O-CB 3.23Å; D106-T110 PolarHBondContact O-N 3.47Å; D106-T110 PolarHBondContact O-OG1 3.19Å; L107-T110 PolarHBondContact O-N 3.46Å; L108-T110 PolarHBondContact O-N 3.28Å; T110-E112 HydrophobicContact CG2-CB 4.03Å; T110-E112 HydrophobicContact CG2-CG 3.66Å; T110-E112 PolarHBondContact O-N 3.49Å
111P80.8Confident86.8Confident81 Ų8166.2 Ų66.253%0.52634%0.341SS..THydrogen-bonded Turntrans-71.99.1-178.730.2-36.3000114.5V113P111-V113 VanDerWaalsContact C-N 3.34Å; P111-V113 PolarHBondContact O-N 3.4Å
112E77.4Confident86.4Confident139 Ų13963 Ų6365%0.6533%0.329SS*.THydrogen-bonded Turntrans-65.3-31.7-176.6-82-177.5-165.200114T110 L166T110-E112 HydrophobicContact CG2-CB 4.03Å; T110-E112 HydrophobicContact CG2-CG 3.66Å; T110-E112 PolarHBondContact O-N 3.49Å; E112-L166 HydrophobicContact CB-CD2 4.32Å
113V77.9Confident86.3Confident24 Ų2462 Ų6215%0.14533%0.326CS..SBendtrans-86.2-47.6-174.4178.80000111.2L107 P111 M163 L166L107-V113 HydrophobicContact CB-CG2 4.29Å; L107-V113 HydrophobicContact CD2-CG2 4.49Å; P111-V113 VanDerWaalsContact C-N 3.34Å; P111-V113 PolarHBondContact O-N 3.4Å; V113-M163 HydrophobicContact CB-CG 4.4Å; V113-M163 HydrophobicContact CG1-CG 3.56Å; V113-M163 HydrophobicContact CG2-CG 4.03Å; V113-L166 HydrophobicContact CG2-CD2 3.77Å
114S80.4Confident86.3Confident29 Ų2962.1 Ų62.120%0.20333%0.326CS..  trans-170.1129.7176.247.10000109.5E116 L117 Y118S114-E116 VanDerWaalsContact C-N 3.31Å; S114-E116 PolarHBondContact O-N 3.14Å; S114-L117 PolarHBondContact O-N 3.16Å; S114-L117 VanDerWaalsContact O-N 3.17Å; S114-L117 WeakPolarHBondContact OG-CB 3.48Å; S114-Y118 PolarHBondContact O-N 3.27Å
115Q84Confident86.4Confident140 Ų14064.3 Ų64.365%0.65434%0.341SS*.Hα-helixtrans-61.2-40.2176.9-170166.63.600112.1L117 Y118 D119Q115-L117 PolarHBondContact O-N 3.43Å; Q115-L117 VanDerWaalsContact O-N 3.12Å; Q115-Y118 WeakPolarHBondContact O-CB 3.44Å; Q115-Y118 PolarHBondContact O-N 2.89Å; Q115-D119 VanDerWaalsContact O-CG 3.3Å; Q115-D119 PolarHBondContact O-N 2.86Å
116E86Confident86.4Confident96 Ų9668.1 Ų68.145%0.44936%0.355SS..Hα-helixtrans-54.4-34.5175.9-64.8179.4-176.800113.1S114 L120 V155 R158S114-E116 VanDerWaalsContact C-N 3.31Å; S114-E116 PolarHBondContact O-N 3.14Å; E116-L120 WeakPolarHBondContact O-CB 3.41Å; E116-L120 VanDerWaalsContact O-CD1 3.31Å; E116-L120 WeakPolarHBondContact O-CD1 3.42Å; E116-L120 WeakPolarHBondContact O-CG 3.47Å; E116-L120 PolarHBondContact O-N 3Å; E116-V155 HydrophobicContact CB-CG1 4.2Å; E116-R158 IonicContact OE2-NH1 3.8Å; E116-R158 PolarHBondContact OE2-NH1 2.92Å
117L84.6Confident86.6Confident3 Ų364.1 Ų64.12%0.01633%0.334CS..Hα-helixtrans-78.5-34.3-178.3-178.7148.3000111.9L108 S114 Q115 N121 V155 L156 S159 M163L108-L117 HydrophobicContact CB-CD2 4.05Å; L108-L117 HydrophobicContact CD2-CD1 3.79Å; L108-L117 HydrophobicContact CD2-CD2 3.25Å; L108-L117 HydrophobicContact CD2-CG 3.97Å; L108-L117 HydrophobicContact CG-CD2 4.19Å; S114-L117 PolarHBondContact O-N 3.16Å; S114-L117 VanDerWaalsContact O-N 3.17Å; S114-L117 WeakPolarHBondContact OG-CB 3.48Å; Q115-L117 PolarHBondContact O-N 3.43Å; Q115-L117 VanDerWaalsContact O-N 3.12Å; L117-N121 PolarHBondContact O-N 2.94Å; L117-V155 HydrophobicContact CB-CG1 4.03Å; L117-L156 HydrophobicContact CD1-CD2 3.67Å; L117-S159 WeakPolarHBondContact CD1-OG 3.37Å; L117-M163 HydrophobicContact CD1-CE 4.12Å
118Y86.9Confident86.7Confident101 Ų10165.5 Ų65.540%0.39634%0.344SS..Hα-helixtrans-67.1-43.7174.4-177.1-98.5000110.5C109 S114 Q115 L120 N121C109-Y118 WeakPolarHBondContact O-CE2 3.37Å; S114-Y118 PolarHBondContact O-N 3.27Å; Q115-Y118 WeakPolarHBondContact O-CB 3.44Å; Q115-Y118 PolarHBondContact O-N 2.89Å; Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 2.97Å; Y118-N121 VanDerWaalsContact O-CG 3.29Å; Y118-N121 PolarHBondContact O-N 3.49Å; Y118-N121 PolarHBondContact O-ND2 3.39Å; Y118-N121 PolarHBondContact O-OD1 3.38Å
119D87.4Confident86.9Confident105 Ų10565.1 Ų65.156%0.56134%0.341SS*.Hα-helixtrans-61.6-36.2178-61.8-23.4000112Q115 N121Q115-D119 VanDerWaalsContact O-CG 3.3Å; Q115-D119 PolarHBondContact O-N 2.86Å; D119-N121 VanDerWaalsContact C-N 3.27Å; D119-N121 PolarHBondContact O-N 3.19Å; D119-N121 PolarHBondContact O-ND2 3.35Å
120L83.8Confident87.1Confident58 Ų5862.6 Ų62.630%0.30432%0.324SS..THydrogen-bonded Turntrans-75.4-9.3177.5-71.5168.1000114.1E116 Y118 V122 M152 V155E116-L120 WeakPolarHBondContact O-CB 3.41Å; E116-L120 VanDerWaalsContact O-CD1 3.31Å; E116-L120 WeakPolarHBondContact O-CD1 3.42Å; E116-L120 WeakPolarHBondContact O-CG 3.47Å; E116-L120 PolarHBondContact O-N 3Å; Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 2.97Å; L120-V122 VanDerWaalsContact C-N 3.34Å; L120-V122 HydrophobicContact CB-CG2 4.22Å; L120-V122 PolarHBondContact O-N 3.13Å; L120-M152 HydrophobicContact CD1-CG 4.21Å; L120-M152 HydrophobicContact CD2-CG 4.23Å; L120-V155 HydrophobicContact CD1-CB 4.36Å; L120-V155 HydrophobicContact CD1-CG1 4.38Å; L120-V155 HydrophobicContact CD1-CG2 4.19Å
121N84.7Confident87Confident113 Ų11363.3 Ų63.360%0.60433%0.329SS*.THydrogen-bonded Turntrans41.355.6178.1-71.1-72.6000113.6L117 Y118 D119 E123L117-N121 PolarHBondContact O-N 2.94Å; Y118-N121 VanDerWaalsContact O-CG 3.29Å; Y118-N121 PolarHBondContact O-N 3.49Å; Y118-N121 PolarHBondContact O-ND2 3.39Å; Y118-N121 PolarHBondContact O-OD1 3.38Å; D119-N121 VanDerWaalsContact C-N 3.27Å; D119-N121 PolarHBondContact O-N 3.19Å; D119-N121 PolarHBondContact O-ND2 3.35Å; N121-E123 PolarHBondContact O-N 3.26Å
122V86.9Confident87.2Confident11 Ų1164.1 Ų64.17%0.06733%0.329CS..PPolyproline II helixtrans-67.5121.9-176.4-176.60000111.1L120 W140 M152 L156L120-V122 VanDerWaalsContact C-N 3.34Å; L120-V122 HydrophobicContact CB-CG2 4.22Å; L120-V122 PolarHBondContact O-N 3.13Å; V122-W140 HydrophobicContact CG1-CB 4.04Å; V122-W140 HydrophobicContact CG1-CE3 4.5Å; V122-M152 HydrophobicContact CB-CE 4.38Å; V122-M152 HydrophobicContact CG1-CE 4.26Å; V122-M152 HydrophobicContact CG2-CE 3.83Å; V122-L156 HydrophobicContact CG1-CD1 4.01Å; V122-L156 HydrophobicContact CG1-CD2 4.22Å; V122-L156 HydrophobicContact CG2-CD2 4.38Å
123E90.9Very high87.5Confident112 Ų11259.8 Ų59.852%0.52331%0.308SS..PPolyproline II helixtrans-90.6130.1173.7-67-172.2-175.800112.7N121 W140 K141N121-E123 PolarHBondContact O-N 3.26Å; E123-W140 WeakPolarHBondContact O-CA 3.44Å; E123-K141 HydrophobicContact CB-CB 4.4Å; E123-K141 HydrophobicContact CB-CD 3.97Å; E123-K141 HydrophobicContact CB-CG 4.3Å; E123-K141 PolarHBondContact O-N 3.34Å; E123-K141 WeakPolarHBondContact OE2-CD 3.36Å; E123-K141 WeakPolarHBondContact OE2-CE 3.41Å; E123-K141 IonicContact OE2-NZ 3.85Å; E123-K141 PolarHBondContact OE2-NZ 2.87Å
124L93.2Very high88Confident11 Ų1162 Ų626%0.05832%0.324CS..EExtended strand (participates in β ladder)trans-84.6138.2171.3-59.9-175.8000111Y101 L104 L108 V138 W140Y101-L124 HydrophobicContact CD2-CB 4.5Å; Y101-L124 HydrophobicContact CE2-CB 3.88Å; Y101-L124 PolarHBondContact OH-O 3.01Å; L104-L124 HydrophobicContact CB-CD1 3.79Å; L108-L124 HydrophobicContact CD1-CD1 3.62Å; L108-L124 HydrophobicContact CD1-CD2 3.76Å; L108-L124 HydrophobicContact CD1-CG 3.44Å; L108-L124 VanDerWaalsContact CD1-CG 3.44Å; L124-V138 HydrophobicContact CD1-CG1 4.07Å; L124-V138 HydrophobicContact CD2-CG1 3.48Å; L124-V138 VanDerWaalsContact CD2-CG1 3.48Å; L124-V138 HydrophobicContact CG-CG1 4.36Å; L124-W140 HydrophobicContact CD2-CB 4.15Å
125S92.8Very high88.6Confident47 Ų4761.6 Ų61.633%0.32932%0.323SS..EExtended strand (participates in β ladder)trans-97.9-45.1174.4175.50000111.2Y139 D184S125-Y139 PolarHBondContact N-O 2.8Å; S125-D184 VanDerWaalsContact CB-OD2 3.28Å; S125-D184 WeakPolarHBondContact CB-OD2 3.41Å; S125-D184 PolarHBondContact OG-OD2 3.46Å
126K93.3Very high89Confident118 Ų11855 Ų5551%0.51329%0.292SS..EExtended strand (participates in β ladder)trans-155.3146.5-174.4178.6177.8179.1179.80111.5Y139K126-Y139 HydrophobicContact CB-CD2 3.98Å; K126-Y139 HydrophobicContact CB-CG 4.32Å; K126-Y139 HydrophobicContact CD-CD2 4.31Å; K126-Y139 HydrophobicContact CG-CD2 4.1Å; K126-Y139 PolarHBondContact N-O 2.84Å; K126-Y139 WeakPolarHBondContact O-CA 3.49Å; K126-Y139 WeakPolarHBondContact O-CB 3.23Å; K126-Y139 WeakPolarHBondContact O-CD2 3.18Å; K126-Y139 PolarHBondContact O-N 2.75Å
127V94.3Very high89.4Confident9 Ų956.4 Ų56.46%0.05529%0.293CS..EExtended strand (participates in β ladder)trans-116.9132.2164.8177.70000109.1L100 Y101 L104 V138L100-V127 HydrophobicContact CB-CG1 4.03Å; L100-V127 HydrophobicContact CD1-CG1 4.43Å; Y101-V127 HydrophobicContact CD2-CG2 3.99Å; L104-V127 HydrophobicContact CD1-CG2 4Å; V127-V138 HydrophobicContact CG1-CG2 4.41Å; V127-V138 HydrophobicContact CG2-CG1 4.15Å; V127-V138 HydrophobicContact CG2-CG2 4.2Å
128S93.4Very high90Very high32 Ų3256.2 Ų56.222%0.22429%0.293CS..EExtended strand (participates in β ladder)trans-131.8108-179.1-169.50000110.6R137S128-R137 PolarHBondContact N-O 3.07Å; S128-R137 PolarHBondContact O-N 3.25Å
129L92.6Very high90.3Very high5 Ų553.7 Ų53.73%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-78138.5166-72.9167.7000111V93 L96 N97 L100 C136 P177V93-L129 HydrophobicContact CG1-CB 4.33Å; L96-L129 HydrophobicContact CB-CD1 3.6Å; N97-L129 WeakPolarHBondContact OD1-CB 3.45Å; N97-L129 WeakPolarHBondContact OD1-CD1 3.44Å; N97-L129 VanDerWaalsContact OD1-CG 3.28Å; N97-L129 WeakPolarHBondContact OD1-CG 3.4Å; N97-L129 PolarHBondContact OD1-N 2.87Å; L100-L129 HydrophobicContact CD1-CD1 3.52Å; L100-L129 HydrophobicContact CD1-CD2 3.67Å; L100-L129 HydrophobicContact CD1-CG 3.64Å; L129-C136 HydrophobicContact CD2-CB 3.72Å; L129-P177 HydrophobicContact CD2-CG 3.68Å
130T91Very high90.7Very high31 Ų3148.7 Ų48.719%0.1926%0.256CS..  trans-67140.6168.1-49.70000108.7D132 F133 A135T130-D132 HydrophobicContact CG2-CB 4.31Å; T130-D132 PolarHBondContact O-N 3.37Å; T130-D132 VanDerWaalsContact O-N 3.09Å; T130-F133 WeakPolarHBondContact O-CA 3.48Å; T130-F133 PolarHBondContact O-N 2.83Å; T130-A135 PolarHBondContact N-O 3.22Å; T130-A135 VanDerWaalsContact N-O 3.1Å; T130-A135 PolarHBondContact OG1-O 3.01Å; T130-A135 VanDerWaalsContact OG1-O 3.1Å
131P84.8Confident91.1Very high64 Ų6450.2 Ų50.242%0.41626%0.26SS..THydrogen-bonded Turntrans-59.4-23.7178.723.4-35.3000113.5T85 F133T85-P131 HydrophobicContact CG2-CB 3.64Å; T85-P131 HydrophobicContact CG2-CG 4.23Å; P131-F133 VanDerWaalsContact O-CD2 3.31Å; P131-F133 WeakPolarHBondContact O-CD2 3.4Å; P131-F133 VanDerWaalsContact O-CE2 3.29Å; P131-F133 WeakPolarHBondContact O-CE2 3.29Å; P131-F133 PolarHBondContact O-N 3.04Å
132D85.4Confident91.2Very high98 Ų9845.8 Ų45.852%0.52424%0.237SC..THydrogen-bonded Turntrans-80.51.7174.4-66.9-54000114.1K83 T130 S134K83-D132 IonicContact NZ-OD1 2.71Å; T130-D132 HydrophobicContact CG2-CB 4.31Å; T130-D132 PolarHBondContact O-N 3.37Å; T130-D132 VanDerWaalsContact O-N 3.09Å; D132-S134 PolarHBondContact O-N 2.89Å; D132-S134 VanDerWaalsContact O-N 3.07Å
133F84.1Confident91.1Very high48 Ų4847.7 Ų47.721%0.21125%0.249CC..SBendtrans52.626.7-175.4-57.9-85.2000113.4V93 L96 T130 P131 P177V93-F133 HydrophobicContact CG2-CE1 4.1Å; V93-F133 HydrophobicContact CG2-CE2 4.42Å; V93-F133 HydrophobicContact CG2-CZ 3.66Å; L96-F133 HydrophobicContact CD1-CD1 4.42Å; L96-F133 HydrophobicContact CD1-CE1 3.54Å; L96-F133 HydrophobicContact CD1-CZ 4.28Å; T130-F133 WeakPolarHBondContact O-CA 3.48Å; T130-F133 PolarHBondContact O-N 2.83Å; P131-F133 VanDerWaalsContact O-CD2 3.31Å; P131-F133 WeakPolarHBondContact O-CD2 3.4Å; P131-F133 VanDerWaalsContact O-CE2 3.29Å; P131-F133 WeakPolarHBondContact O-CE2 3.29Å; P131-F133 PolarHBondContact O-N 3.04Å; F133-P177 WeakPolarHBondContact O-CB 3.41Å
134S88.4Confident90.3Very high70 Ų7047.1 Ų47.149%0.4925%0.249SC..SBendtrans-84.6-34.2-176.456.10000112.7D132 P178D132-S134 PolarHBondContact O-N 2.89Å; D132-S134 VanDerWaalsContact O-N 3.07Å; S134-P178 VanDerWaalsContact O-CD 3.27Å; S134-P178 WeakPolarHBondContact O-CD 3.34Å; S134-P178 WeakPolarHBondContact O-CG 3.48Å
135A91.5Very high89.9Confident21 Ų2148.7 Ų48.717%0.17426%0.261CS..  trans-145.8143.4-179.300000111.4T130T130-A135 PolarHBondContact N-O 3.22Å; T130-A135 VanDerWaalsContact N-O 3.1Å; T130-A135 PolarHBondContact OG1-O 3.01Å; T130-A135 VanDerWaalsContact OG1-O 3.1Å
136C93.5Very high89.5Confident1 Ų150 Ų501%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-102.6115.8168.5-178.60000109.1L129 P177 P178 V180L129-C136 HydrophobicContact CD2-CB 3.72Å; C136-P177 HydrophobicContact CB-CG 4Å; C136-P178 PolarHBondContact N-O 3.15Å; C136-V180 PolarHBondContact O-N 3.07Å
137R94.9Very high89.2Confident126 Ų12652.1 Ų52.148%0.47529%0.286SS..EExtended strand (participates in β ladder)trans-97.5119.3176.4-61.3177.7-178.1-163.3-1.6108.9S128 Y139 V180S128-R137 PolarHBondContact N-O 3.07Å; S128-R137 PolarHBondContact O-N 3.25Å; R137-Y139 HydrophobicContact CB-CE2 4.07Å; R137-V180 WeakPolarHBondContact CA-O 3.42Å
138V95.4Very high88.9Confident0 Ų057.1 Ų57.10%031%0.309CS..EExtended strand (participates in β ladder)trans-110.5118.2180-178.60000107.9L104 L124 V127 I179 V180 F181 V182L104-V138 HydrophobicContact CD1-CG1 4.35Å; L104-V138 HydrophobicContact CD1-CG2 3.59Å; L124-V138 HydrophobicContact CD1-CG1 4.07Å; L124-V138 HydrophobicContact CD2-CG1 3.48Å; L124-V138 VanDerWaalsContact CD2-CG1 3.48Å; L124-V138 HydrophobicContact CG-CG1 4.36Å; V127-V138 HydrophobicContact CG1-CG2 4.41Å; V127-V138 HydrophobicContact CG2-CG1 4.15Å; V127-V138 HydrophobicContact CG2-CG2 4.2Å; V138-I179 HydrophobicContact CG2-CG2 3.71Å; V138-V180 PolarHBondContact N-O 3.37Å; V138-F181 HydrophobicContact CB-CD1 3.84Å; V138-F181 HydrophobicContact CB-CE1 3.87Å; V138-F181 HydrophobicContact CG1-CD1 3.9Å; V138-F181 HydrophobicContact CG1-CE1 3.72Å; V138-F181 HydrophobicContact CG2-CE1 4.42Å; V138-F181 WeakPolarHBondContact O-CA 3.45Å; V138-V182 PolarHBondContact O-N 3.45Å
139Y95.3Very high88.7Confident47 Ų4756.3 Ų56.318%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-94.9125.7178.7-62.4-92.5000109.4S125 K126 R137 V182S125-Y139 PolarHBondContact N-O 2.8Å; K126-Y139 HydrophobicContact CB-CD2 3.98Å; K126-Y139 HydrophobicContact CB-CG 4.32Å; K126-Y139 HydrophobicContact CD-CD2 4.31Å; K126-Y139 HydrophobicContact CG-CD2 4.1Å; K126-Y139 PolarHBondContact N-O 2.84Å; K126-Y139 WeakPolarHBondContact O-CA 3.49Å; K126-Y139 WeakPolarHBondContact O-CB 3.23Å; K126-Y139 WeakPolarHBondContact O-CD2 3.18Å; K126-Y139 PolarHBondContact O-N 2.75Å; R137-Y139 HydrophobicContact CB-CE2 4.07Å; Y139-V182 VanDerWaalsContact CA-O 3.29Å; Y139-V182 WeakPolarHBondContact CA-O 3.48Å; Y139-V182 HydrophobicContact CD1-CB 4.1Å; Y139-V182 HydrophobicContact CD1-CG1 4.1Å; Y139-V182 HydrophobicContact CE1-CB 4.08Å; Y139-V182 HydrophobicContact CE1-CG1 3.82Å
140W94.3Very high88.7Confident0 Ų058.7 Ų58.70%032%0.322CS..EExtended strand (participates in β ladder)trans-118.3152.7179.762.9-83000110.4V122 E123 L124 T142 N149 M152 E153 L156 V182 K183 D184V122-W140 HydrophobicContact CG1-CB 4.04Å; V122-W140 HydrophobicContact CG1-CE3 4.5Å; E123-W140 WeakPolarHBondContact O-CA 3.44Å; L124-W140 HydrophobicContact CD2-CB 4.15Å; W140-T142 HydrophobicContact CH2-CG2 4.08Å; W140-T142 HydrophobicContact CZ3-CG2 4.13Å; W140-N149 HydrophobicContact CH2-CB 4.03Å; W140-N149 WeakPolarHBondContact CH2-O 3.4Å; W140-M152 HydrophobicContact CE3-CE 4.11Å; W140-M152 HydrophobicContact CH2-CB 4.22Å; W140-M152 HydrophobicContact CZ3-CB 4.14Å; W140-M152 HydrophobicContact CZ3-CE 3.89Å; W140-M152 HydrophobicContact CZ3-SD 4.13Å; W140-E153 HydrophobicContact CZ2-CB 3.99Å; W140-L156 HydrophobicContact CB-CD1 4.48Å; W140-L156 HydrophobicContact CD2-CD1 3.89Å; W140-L156 HydrophobicContact CE3-CD1 4.4Å; W140-L156 HydrophobicContact CG-CD1 3.89Å; W140-V182 PolarHBondContact N-O 2.98Å; W140-K183 HydrophobicContact CH2-CG 4.26Å; W140-K183 HydrophobicContact CZ2-CD 4.22Å; W140-K183 HydrophobicContact CZ2-CG 3.52Å; W140-D184 PolarHBondContact O-N 2.91Å; W140-D184 VanDerWaalsContact O-N 3.15Å
141K91.6Very high88.7Confident91 Ų9162.1 Ų62.140%0.39634%0.336SS..PPolyproline II helixtrans-80.3127.2-178.9-65.1-173.6-171.41700110.7E123E123-K141 HydrophobicContact CB-CB 4.4Å; E123-K141 HydrophobicContact CB-CD 3.97Å; E123-K141 HydrophobicContact CB-CG 4.3Å; E123-K141 PolarHBondContact O-N 3.34Å; E123-K141 WeakPolarHBondContact OE2-CD 3.36Å; E123-K141 WeakPolarHBondContact OE2-CE 3.41Å; E123-K141 IonicContact OE2-NZ 3.85Å; E123-K141 PolarHBondContact OE2-NZ 2.87Å
142T87.9Confident89Confident19 Ų1959.4 Ų59.412%0.11732%0.318CS..PPolyproline II helixtrans-80.1137.6174.650.60000111.2W140 N149 K183 S187W140-T142 HydrophobicContact CH2-CG2 4.08Å; W140-T142 HydrophobicContact CZ3-CG2 4.13Å; T142-N149 VanDerWaalsContact CA-OD1 3.32Å; T142-N149 WeakPolarHBondContact CA-OD1 3.4Å; T142-K183 HydrophobicContact CG2-CB 3.95Å; T142-K183 HydrophobicContact CG2-CD 4.07Å; T142-K183 HydrophobicContact CG2-CG 3.81Å; T142-S187 PolarHBondContact N-OG 2.88Å; T142-S187 PolarHBondContact OG1-OG 2.75Å; T142-S187 VanDerWaalsContact OG1-OG 3.07Å
143T83.9Confident89.3Confident52 Ų5257.4 Ų57.432%0.31931%0.306SS..PPolyproline II helixtrans-81.6173170.664.80000111.2S145 N149 M152T143-S145 VanDerWaalsContact C-N 3.25Å; T143-S145 PolarHBondContact O-N 3.48Å; T143-N149 PolarHBondContact N-OD1 3.07Å; T143-N149 PolarHBondContact O-ND2 3.32Å; T143-N149 PolarHBondContact OG1-OD1 2.79Å; T143-M152 HydrophobicContact CG2-CE 4.39Å; T143-M152 HydrophobicContact CG2-SD 4.06Å
144L75.9Confident89.7Confident100 Ų10057.5 Ų57.552%0.52432%0.316SS..SBendtrans-65.8-24.8-178.1-62.8172.7000113.3A191 D194 K195L144-A191 HydrophobicContact CD2-CB 4.17Å; L144-D194 HydrophobicContact CD2-CB 3.71Å; L144-K195 WeakPolarHBondContact O-CE 3.38Å
145S83.6Confident89.9Confident44 Ų4454.4 Ų54.431%0.30829%0.293SS..  trans-93.9122.6-177.3179.40000112.7T143 E147 Q148 N149T143-S145 VanDerWaalsContact C-N 3.25Å; T143-S145 PolarHBondContact O-N 3.48Å; S145-E147 VanDerWaalsContact C-N 3.31Å; S145-E147 PolarHBondContact O-N 3.01Å; S145-Q148 PolarHBondContact O-N 3.14Å; S145-N149 VanDerWaalsContact O-CG 3.25Å; S145-N149 PolarHBondContact O-N 3.43Å; S145-N149 PolarHBondContact O-ND2 3.47Å
146A84.8Confident90Very high75 Ų7553.4 Ų53.462%0.6229%0.285SS*.Hα-helixtrans-63.6-34.7178.500000113N149 A150A146-N149 PolarHBondContact O-N 3.33Å; A146-A150 PolarHBondContact O-N 3.3Å
147E86.9Confident90Very high162 Ų16257.4 Ų57.476%0.75730%0.304SS*.Hα-helixtrans-68.9-45.5178.6-175.5176.7-172.700111.3S145 N149 A150 H151S145-E147 VanDerWaalsContact C-N 3.31Å; S145-E147 PolarHBondContact O-N 3.01Å; E147-N149 VanDerWaalsContact C-N 3.31Å; E147-N149 PolarHBondContact O-N 3.18Å; E147-A150 PolarHBondContact O-N 3.08Å; E147-H151 PolarHBondContact O-N 3.37Å
148Q87.5Confident89.9Confident113 Ų11359.4 Ų59.453%0.52831%0.311SS..Hα-helixtrans-60.9-42.3174.8-69179.8-21.500111S145 A150 H151 M152S145-Q148 PolarHBondContact O-N 3.14Å; Q148-A150 VanDerWaalsContact C-N 3.32Å; Q148-A150 PolarHBondContact O-N 2.91Å; Q148-H151 PolarHBondContact O-N 3.47Å; Q148-M152 WeakPolarHBondContact O-CB 3.32Å; Q148-M152 VanDerWaalsContact O-CG 3.22Å; Q148-M152 WeakPolarHBondContact O-CG 3.37Å; Q148-M152 PolarHBondContact O-N 3.3Å
149N90.1Very high89.7Confident15 Ų1559.7 Ų59.78%0.0831%0.313CS..Hα-helixtrans-60.8-38.6176-74-39.3000113W140 T142 T143 S145 A146 E147 E153W140-N149 HydrophobicContact CH2-CB 4.03Å; W140-N149 WeakPolarHBondContact CH2-O 3.4Å; T142-N149 VanDerWaalsContact CA-OD1 3.32Å; T142-N149 WeakPolarHBondContact CA-OD1 3.4Å; T143-N149 PolarHBondContact N-OD1 3.07Å; T143-N149 PolarHBondContact O-ND2 3.32Å; T143-N149 PolarHBondContact OG1-OD1 2.79Å; S145-N149 VanDerWaalsContact O-CG 3.25Å; S145-N149 PolarHBondContact O-N 3.43Å; S145-N149 PolarHBondContact O-ND2 3.47Å; A146-N149 PolarHBondContact O-N 3.33Å; E147-N149 VanDerWaalsContact C-N 3.31Å; E147-N149 PolarHBondContact O-N 3.18Å; N149-E153 VanDerWaalsContact O-CB 3.32Å; N149-E153 WeakPolarHBondContact O-CB 3.45Å; N149-E153 PolarHBondContact O-N 2.85Å
150A91.2Very high89.6Confident55 Ų5558 Ų5846%0.45531%0.309SS..Hα-helixtrans-68.1-41176.500000111.6A146 E147 Q148 E153 A154A146-A150 PolarHBondContact O-N 3.3Å; E147-A150 PolarHBondContact O-N 3.08Å; Q148-A150 VanDerWaalsContact C-N 3.32Å; Q148-A150 PolarHBondContact O-N 2.91Å; A150-E153 PolarHBondContact O-N 3.4Å; A150-A154 PolarHBondContact O-N 3.02Å
151H91.3Very high89.5Confident103 Ų10360.6 Ų60.648%0.47733%0.331SS..Hα-helixtrans-62.4-49.1174.1-178.3-95.9000111.8E147 Q148 E153 A154 V155E147-H151 PolarHBondContact O-N 3.37Å; Q148-H151 PolarHBondContact O-N 3.47Å; H151-E153 VanDerWaalsContact C-N 3.32Å; H151-E153 PolarHBondContact O-N 2.79Å; H151-A154 PolarHBondContact O-N 2.97Å; H151-A154 VanDerWaalsContact O-N 3.17Å; H151-V155 WeakPolarHBondContact O-CG2 3.18Å; H151-V155 PolarHBondContact O-N 2.82Å
152M90.9Very high89.5Confident8 Ų859.2 Ų59.24%0.03933%0.332CS..Hα-helixtrans-57.2-44.4176-70.6168.97700111.6L120 V122 W140 T143 Q148 A154 V155 L156L120-M152 HydrophobicContact CD1-CG 4.21Å; L120-M152 HydrophobicContact CD2-CG 4.23Å; V122-M152 HydrophobicContact CB-CE 4.38Å; V122-M152 HydrophobicContact CG1-CE 4.26Å; V122-M152 HydrophobicContact CG2-CE 3.83Å; W140-M152 HydrophobicContact CE3-CE 4.11Å; W140-M152 HydrophobicContact CH2-CB 4.22Å; W140-M152 HydrophobicContact CZ3-CB 4.14Å; W140-M152 HydrophobicContact CZ3-CE 3.89Å; W140-M152 HydrophobicContact CZ3-SD 4.13Å; T143-M152 HydrophobicContact CG2-CE 4.39Å; T143-M152 HydrophobicContact CG2-SD 4.06Å; Q148-M152 WeakPolarHBondContact O-CB 3.32Å; Q148-M152 VanDerWaalsContact O-CG 3.22Å; Q148-M152 WeakPolarHBondContact O-CG 3.37Å; Q148-M152 PolarHBondContact O-N 3.3Å; M152-A154 PolarHBondContact O-N 3.21Å; M152-V155 PolarHBondContact O-N 3.36Å; M152-L156 WeakPolarHBondContact O-CB 3.16Å; M152-L156 VanDerWaalsContact O-CG 3.27Å; M152-L156 WeakPolarHBondContact O-CG 3.4Å; M152-L156 PolarHBondContact O-N 3.45Å
153E92.5Very high89.6Confident55 Ų5558.3 Ų58.326%0.25733%0.327SS..Hα-helixtrans-61.3-43.9177-175.6159.3-145.500111.7W140 N149 A150 H151 V155 L156 Q157 K183W140-E153 HydrophobicContact CZ2-CB 3.99Å; N149-E153 VanDerWaalsContact O-CB 3.32Å; N149-E153 WeakPolarHBondContact O-CB 3.45Å; N149-E153 PolarHBondContact O-N 2.85Å; A150-E153 PolarHBondContact O-N 3.4Å; H151-E153 VanDerWaalsContact C-N 3.32Å; H151-E153 PolarHBondContact O-N 2.79Å; E153-V155 PolarHBondContact O-N 2.86Å; E153-L156 PolarHBondContact O-N 2.92Å; E153-Q157 HydrophobicContact CG-CG 4.36Å; E153-Q157 WeakPolarHBondContact O-CB 3.38Å; E153-Q157 WeakPolarHBondContact O-CG 3.39Å; E153-Q157 PolarHBondContact O-N 3.39Å; E153-K183 WeakPolarHBondContact OE2-CE 2.92Å; E153-K183 IonicContact OE2-NZ 2.79Å; E153-K183 PolarHBondContact OE2-NZ 3.48Å
154A93Very high90Very high51 Ų5159.4 Ų59.442%0.42133%0.325SS..Hα-helixtrans-62-42.3177.100000112.3A150 H151 M152 Q157 R158A150-A154 PolarHBondContact O-N 3.02Å; H151-A154 PolarHBondContact O-N 2.97Å; H151-A154 VanDerWaalsContact O-N 3.17Å; M152-A154 PolarHBondContact O-N 3.21Å; A154-Q157 PolarHBondContact O-N 3.49Å; A154-R158 WeakPolarHBondContact O-CB 3.18Å; A154-R158 PolarHBondContact O-N 3.32Å
155V92.7Very high90.8Very high4 Ų460.6 Ų60.62%0.02433%0.328CS..Hα-helixtrans-66.1-44.4177.7174.60000111.2E116 L117 L120 H151 M152 E153 Q157 R158 S159E116-V155 HydrophobicContact CB-CG1 4.2Å; L117-V155 HydrophobicContact CB-CG1 4.03Å; L120-V155 HydrophobicContact CD1-CB 4.36Å; L120-V155 HydrophobicContact CD1-CG1 4.38Å; L120-V155 HydrophobicContact CD1-CG2 4.19Å; H151-V155 WeakPolarHBondContact O-CG2 3.18Å; H151-V155 PolarHBondContact O-N 2.82Å; M152-V155 PolarHBondContact O-N 3.36Å; E153-V155 PolarHBondContact O-N 2.86Å; V155-Q157 PolarHBondContact O-N 2.71Å; V155-R158 PolarHBondContact O-N 3.45Å; V155-S159 WeakPolarHBondContact O-CB 3.5Å; V155-S159 PolarHBondContact O-N 3.49Å; V155-S159 PolarHBondContact O-OG 2.99Å
156L92.6Very high91.1Very high1 Ų160.3 Ų60.31%0.00532%0.323CS..Hα-helixtrans-61.8-43.2176.3-74.8166.4000111.9L108 L117 V122 W140 M152 E153 S159 A160 M163 F181L108-L156 HydrophobicContact CD2-CD2 4.4Å; L117-L156 HydrophobicContact CD1-CD2 3.67Å; V122-L156 HydrophobicContact CG1-CD1 4.01Å; V122-L156 HydrophobicContact CG1-CD2 4.22Å; V122-L156 HydrophobicContact CG2-CD2 4.38Å; W140-L156 HydrophobicContact CB-CD1 4.48Å; W140-L156 HydrophobicContact CD2-CD1 3.89Å; W140-L156 HydrophobicContact CE3-CD1 4.4Å; W140-L156 HydrophobicContact CG-CD1 3.89Å; M152-L156 WeakPolarHBondContact O-CB 3.16Å; M152-L156 VanDerWaalsContact O-CG 3.27Å; M152-L156 WeakPolarHBondContact O-CG 3.4Å; M152-L156 PolarHBondContact O-N 3.45Å; E153-L156 PolarHBondContact O-N 2.92Å; L156-S159 WeakPolarHBondContact CA-OG 3.46Å; L156-S159 PolarHBondContact O-N 2.92Å; L156-S159 PolarHBondContact O-OG 3.27Å; L156-S159 VanDerWaalsContact O-OG 3.07Å; L156-A160 PolarHBondContact O-N 3.07Å; L156-M163 HydrophobicContact CD2-CE 4.46Å; L156-F181 HydrophobicContact CB-CB 4.39Å; L156-F181 HydrophobicContact CB-CD1 4.28Å; L156-F181 HydrophobicContact CB-CD2 3.83Å; L156-F181 HydrophobicContact CB-CE2 4.21Å; L156-F181 HydrophobicContact CB-CG 3.89Å; L156-F181 HydrophobicContact CD1-CD1 4.39Å; L156-F181 HydrophobicContact CD2-CD1 4.17Å; L156-F181 HydrophobicContact CD2-CE1 3.98Å; L156-F181 HydrophobicContact CD2-CZ 4.26Å; L156-F181 WeakPolarHBondContact O-CD2 3.36Å; L156-F181 WeakPolarHBondContact O-CE2 3.42Å
157Q93Very high91.4Very high85 Ų8556.8 Ų56.840%0.39729%0.294SS..Hα-helixtrans-66.8-38.2178.3-67.4-66.9-9.700111.9E153 A154 V155 S159 A160 F181E153-Q157 HydrophobicContact CG-CG 4.36Å; E153-Q157 WeakPolarHBondContact O-CB 3.38Å; E153-Q157 WeakPolarHBondContact O-CG 3.39Å; E153-Q157 PolarHBondContact O-N 3.39Å; A154-Q157 PolarHBondContact O-N 3.49Å; V155-Q157 PolarHBondContact O-N 2.71Å; Q157-S159 VanDerWaalsContact C-N 3.34Å; Q157-A160 WeakPolarHBondContact O-CB 3.43Å; Q157-A160 PolarHBondContact O-N 2.99Å; Q157-F181 PolarHBondContact NE2-O 2.94Å
158R93.5Very high91.6Very high167 Ų16753.6 Ų53.663%0.6328%0.28SS*.Hα-helixtrans-63.1-41.1174.7-174.3-176.1-64.2143.10.6111.8E116 A154 V155E116-R158 IonicContact OE2-NH1 3.8Å; E116-R158 PolarHBondContact OE2-NH1 2.92Å; A154-R158 WeakPolarHBondContact O-CB 3.18Å; A154-R158 PolarHBondContact O-N 3.32Å; V155-R158 PolarHBondContact O-N 3.45Å
159S90.8Very high91.5Very high6 Ų652.3 Ų52.34%0.04228%0.283CS..Hα-helixtrans-83.6-11.2-178.153.10000114L117 V155 L156 Q157 A161 S162 M163L117-S159 WeakPolarHBondContact CD1-OG 3.37Å; V155-S159 WeakPolarHBondContact O-CB 3.5Å; V155-S159 PolarHBondContact O-N 3.49Å; V155-S159 PolarHBondContact O-OG 2.99Å; L156-S159 WeakPolarHBondContact CA-OG 3.46Å; L156-S159 PolarHBondContact O-N 2.92Å; L156-S159 PolarHBondContact O-OG 3.27Å; L156-S159 VanDerWaalsContact O-OG 3.07Å; Q157-S159 VanDerWaalsContact C-N 3.34Å; S159-A161 VanDerWaalsContact C-N 3.31Å; S159-A161 PolarHBondContact O-N 2.87Å; S159-S162 PolarHBondContact O-N 3.46Å; S159-S162 VanDerWaalsContact O-N 3.12Å; S159-M163 PolarHBondContact O-N 3.34Å; S159-M163 WeakPolarHBondContact OG-CE 3.45Å
160A92.7Very high91.1Very high11 Ų1155.4 Ų55.49%0.09130%0.297CS..Hα-helixtrans-53.5-43.4-179.100000113.8L156 Q157 R164 F181L156-A160 PolarHBondContact O-N 3.07Å; Q157-A160 WeakPolarHBondContact O-CB 3.43Å; Q157-A160 PolarHBondContact O-N 2.99Å; A160-R164 WeakPolarHBondContact O-CB 3.27Å; A160-R164 PolarHBondContact O-N 3.12Å; A160-F181 HydrophobicContact CB-CD2 4.15Å; A160-F181 HydrophobicContact CB-CE2 3.64Å
161A92.3Very high90.2Very high56 Ų5660.8 Ų60.846%0.46331%0.313SS..Hα-helixtrans-67-45.6178.600000111.3S159 R164 H165S159-A161 VanDerWaalsContact C-N 3.31Å; S159-A161 PolarHBondContact O-N 2.87Å; A161-R164 WeakPolarHBondContact O-CB 3.48Å; A161-R164 PolarHBondContact O-N 3.01Å; A161-H165 PolarHBondContact O-CD2 2.98Å; A161-H165 PolarHBondContact O-N 3.44Å
162S91.8Very high89.2Confident61 Ų6158 Ų5843%0.42730%0.303SS..Hα-helixtrans-61.5-46.8177.7-56.40000111.8S159 R164 H165 L166S159-S162 PolarHBondContact O-N 3.46Å; S159-S162 VanDerWaalsContact O-N 3.12Å; S162-R164 VanDerWaalsContact C-N 3.27Å; S162-R164 PolarHBondContact O-N 3Å; S162-H165 PolarHBondContact O-N 3.28Å; S162-H165 VanDerWaalsContact O-N 3.14Å; S162-L166 PolarHBondContact O-N 2.84Å
163M91.6Very high88.4Confident1 Ų158.8 Ų58.81%0.00531%0.307CS..Hα-helixtrans-56.9-42.4174.4-76.2-172.2-100.600111.9L104 L108 V113 L117 L156 S159 H165 L166 L167 I179 F181L104-M163 HydrophobicContact CD2-SD 4.03Å; L108-M163 HydrophobicContact CD2-SD 4.14Å; V113-M163 HydrophobicContact CB-CG 4.4Å; V113-M163 HydrophobicContact CG1-CG 3.56Å; V113-M163 HydrophobicContact CG2-CG 4.03Å; L117-M163 HydrophobicContact CD1-CE 4.12Å; L156-M163 HydrophobicContact CD2-CE 4.46Å; S159-M163 PolarHBondContact O-N 3.34Å; S159-M163 WeakPolarHBondContact OG-CE 3.45Å; M163-H165 PolarHBondContact O-N 3.02Å; M163-L166 PolarHBondContact O-N 3.39Å; M163-L167 WeakPolarHBondContact O-CB 3.43Å; M163-L167 WeakPolarHBondContact O-CG 3.28Å; M163-L167 PolarHBondContact O-N 3.34Å; M163-I179 HydrophobicContact CB-CD1 4.17Å; M163-F181 HydrophobicContact CE-CE1 4.27Å; M163-F181 HydrophobicContact CE-CE2 3.63Å; M163-F181 HydrophobicContact CE-CZ 3.24Å; M163-F181 HydrophobicContact SD-CZ 3.89Å
164R92.3Very high87.7Confident75 Ų7568.6 Ų68.628%0.28334%0.341SS..Hα-helixtrans-61.2-45.6177.3-176.9-178.1-178.8176.8-0.5111.6A160 A161 S162 L166 L167 M168 V176 I179A160-R164 WeakPolarHBondContact O-CB 3.27Å; A160-R164 PolarHBondContact O-N 3.12Å; A161-R164 WeakPolarHBondContact O-CB 3.48Å; A161-R164 PolarHBondContact O-N 3.01Å; S162-R164 VanDerWaalsContact C-N 3.27Å; S162-R164 PolarHBondContact O-N 3Å; R164-L166 VanDerWaalsContact C-N 3.28Å; R164-L166 PolarHBondContact O-N 2.96Å; R164-L167 PolarHBondContact O-N 3.09Å; R164-M168 HydrophobicContact CG-SD 4.37Å; R164-M168 VanDerWaalsContact O-CG 3.26Å; R164-M168 WeakPolarHBondContact O-CG 3.47Å; R164-M168 PolarHBondContact O-N 2.92Å; R164-V176 HydrophobicContact CG-CB 4.37Å; R164-V176 HydrophobicContact CG-CG1 4.05Å; R164-V176 PolarHBondContact NE-O 3.47Å; R164-V176 PolarHBondContact NH2-O 3.15Å; R164-I179 HydrophobicContact CB-CD1 3.82Å; R164-I179 HydrophobicContact CB-CG1 4.31Å
165H91.7Very high87.2Confident125 Ų12571.5 Ų71.558%0.57935%0.35SS*.Hα-helixtrans-62.1-38.3178.4-72.3-60000112.1A161 S162 M163 M168 S169A161-H165 PolarHBondContact O-CD2 2.98Å; A161-H165 PolarHBondContact O-N 3.44Å; S162-H165 PolarHBondContact O-N 3.28Å; S162-H165 VanDerWaalsContact O-N 3.14Å; M163-H165 PolarHBondContact O-N 3.02Å; H165-M168 WeakPolarHBondContact O-CB 3.24Å; H165-M168 PolarHBondContact O-N 2.93Å; H165-S169 PolarHBondContact O-N 2.61Å
166L90.9Very high87Confident38 Ų3871.4 Ų71.420%0.19935%0.349CS..Hα-helixtrans-70.7-40177.4-165.653.8000112.1L107 E112 V113 S162 M163 R164 M168 S169 Q170L107-L166 HydrophobicContact CD1-CB 4.14Å; L107-L166 HydrophobicContact CD1-CD2 3.99Å; L107-L166 HydrophobicContact CD1-CG 4.09Å; L107-L166 HydrophobicContact CD2-CD2 3.18Å; L107-L166 HydrophobicContact CD2-CG 3.74Å; L107-L166 HydrophobicContact CG-CD2 4.17Å; E112-L166 HydrophobicContact CB-CD2 4.32Å; V113-L166 HydrophobicContact CG2-CD2 3.77Å; S162-L166 PolarHBondContact O-N 2.84Å; M163-L166 PolarHBondContact O-N 3.39Å; R164-L166 VanDerWaalsContact C-N 3.28Å; R164-L166 PolarHBondContact O-N 2.96Å; L166-M168 PolarHBondContact O-N 3.46Å; L166-S169 PolarHBondContact O-N 3.19Å; L166-S169 VanDerWaalsContact O-N 3.08Å; L166-S169 PolarHBondContact O-OG 3Å; L166-Q170 WeakPolarHBondContact O-CG 3.31Å; L166-Q170 PolarHBondContact O-N 3.32Å; L166-Q170 VanDerWaalsContact O-N 3.07Å
167L90.4Very high87Confident1 Ų171.5 Ų71.51%0.00535%0.35CS..Hα-helixtrans-62.1-32171.5-72.9174.8000112.5L100 A103 L104 L107 M163 R164 T172 V176 I179L100-L167 HydrophobicContact CD2-CD1 4.07Å; A103-L167 HydrophobicContact CB-CD2 3.44Å; A103-L167 VanDerWaalsContact CB-CD2 3.44Å; L104-L167 HydrophobicContact CD2-CD1 3.75Å; L104-L167 HydrophobicContact CG-CD1 4.1Å; L107-L167 HydrophobicContact CD1-CD2 4.03Å; L107-L167 HydrophobicContact CD1-CG 4.03Å; M163-L167 WeakPolarHBondContact O-CB 3.43Å; M163-L167 WeakPolarHBondContact O-CG 3.28Å; M163-L167 PolarHBondContact O-N 3.34Å; R164-L167 PolarHBondContact O-N 3.09Å; L167-T172 PolarHBondContact O-OG1 2.92Å; L167-V176 HydrophobicContact CB-CG1 4.31Å; L167-V176 HydrophobicContact CB-CG2 4.25Å; L167-V176 HydrophobicContact CD1-CG1 4.37Å; L167-I179 HydrophobicContact CD1-CD1 3.81Å
168M90.1Very high87Confident95 Ų9570.1 Ų70.147%0.46835%0.349SS..Hα-helixtrans-67.5-34.9173.9-70.1171.869.100112.1R164 H165 L166 Q171 V176R164-M168 HydrophobicContact CG-SD 4.37Å; R164-M168 VanDerWaalsContact O-CG 3.26Å; R164-M168 WeakPolarHBondContact O-CG 3.47Å; R164-M168 PolarHBondContact O-N 2.92Å; H165-M168 WeakPolarHBondContact O-CB 3.24Å; H165-M168 PolarHBondContact O-N 2.93Å; L166-M168 PolarHBondContact O-N 3.46Å; M168-Q171 PolarHBondContact O-N 3.47Å; M168-V176 HydrophobicContact CG-CB 4.01Å; M168-V176 HydrophobicContact CG-CG2 3.86Å
169S86.8Confident87Confident85 Ų8562.9 Ų62.959%0.59432%0.322SS*.Hα-helixtrans-73.8-34177.471.30000112.5H165 L166 Q171H165-S169 PolarHBondContact O-N 2.61Å; L166-S169 PolarHBondContact O-N 3.19Å; L166-S169 VanDerWaalsContact O-N 3.08Å; L166-S169 PolarHBondContact O-OG 3Å; S169-Q171 PolarHBondContact O-N 2.67Å; S169-Q171 VanDerWaalsContact O-N 3.14Å
170Q82.1Confident87.2Confident80 Ų8065.5 Ų65.537%0.37434%0.338SS..THydrogen-bonded Turntrans-68.2-6.7174.3-66.8176.1-2.600113.5L166 T172L166-Q170 WeakPolarHBondContact O-CG 3.31Å; L166-Q170 PolarHBondContact O-N 3.32Å; L166-Q170 VanDerWaalsContact O-N 3.07Å; Q170-T172 HydrophobicContact CB-CG2 4.36Å; Q170-T172 PolarHBondContact O-N 2.86Å
171Q71.4Confident87.3Confident169 Ų16965.3 Ų65.379%0.7934%0.335SS*.THydrogen-bonded Turntrans54.323174.1-152.8165.468.900114.7M168 S169 M173M168-Q171 PolarHBondContact O-N 3.47Å; S169-Q171 PolarHBondContact O-N 2.67Å; S169-Q171 VanDerWaalsContact O-N 3.14Å; Q171-M173 PolarHBondContact O-N 3.23Å
172T69.8Low87.4Confident43 Ų4365 Ų6526%0.26433%0.327SS..SBendtrans-60.8-27.1179440000112.7A103 L167 Q170A103-T172 HydrophobicContact CB-CG2 4.41Å; L167-T172 PolarHBondContact O-OG1 2.92Å; Q170-T172 HydrophobicContact CB-CG2 4.36Å; Q170-T172 PolarHBondContact O-N 2.86Å
173M74.1Confident87.4Confident26 Ų2665.9 Ų65.913%0.12832%0.323CS..SBendtrans-145.4151171.4-67.3-165.1-65.800111.6L96 L100 Q171 N175L96-M173 HydrophobicContact CB-SD 4.15Å; L96-M173 HydrophobicContact CD1-SD 3.69Å; L96-M173 HydrophobicContact CD2-CG 3.55Å; L96-M173 HydrophobicContact CD2-SD 3.51Å; L96-M173 VanDerWaalsContact CD2-SD 3.51Å; L96-M173 HydrophobicContact CG-SD 3.96Å; L100-M173 HydrophobicContact CD1-CE 3.81Å; L100-M173 HydrophobicContact CD2-CE 3.97Å; L100-M173 HydrophobicContact CG-CE 4.1Å; Q171-M173 PolarHBondContact O-N 3.23Å; M173-N175 PolarHBondContact O-N 3.47Å
174R78.4Confident87.5Confident260 Ų26066.8 Ų66.898%0.98133%0.328SS*.SBendtrans-62.2-29.7175.7-172.8178.3-179.2-170.31.5113.4
175N83.3Confident87.4Confident112 Ų11271.8 Ų71.860%0.59935%0.352SS*.SBendtrans-143.4117.1176-179.425.5000108.9M173M173-N175 PolarHBondContact O-N 3.47Å
176V88.1Confident87.3Confident2 Ų273.6 Ų73.61%0.01236%0.358CS..PPolyproline II helixtrans-91.2118.6175.8-175.70000108R164 L167 M168R164-V176 HydrophobicContact CG-CB 4.37Å; R164-V176 HydrophobicContact CG-CG1 4.05Å; R164-V176 PolarHBondContact NE-O 3.47Å; R164-V176 PolarHBondContact NH2-O 3.15Å; L167-V176 HydrophobicContact CB-CG1 4.31Å; L167-V176 HydrophobicContact CB-CG2 4.25Å; L167-V176 HydrophobicContact CD1-CG1 4.37Å; M168-V176 HydrophobicContact CG-CB 4.01Å; M168-V176 HydrophobicContact CG-CG2 3.86Å
177P91.2Very high87.1Confident4 Ų472.4 Ų72.43%0.02635%0.353CS..PPolyproline II helixtrans-67.6165.917727-32.6000112.1L129 F133 C136 I179L129-P177 HydrophobicContact CD2-CG 3.68Å; F133-P177 WeakPolarHBondContact O-CB 3.41Å; C136-P177 HydrophobicContact CB-CG 4Å; P177-I179 PolarHBondContact O-N 3.42Å
178P93.1Very high86.9Confident56 Ų5674.1 Ų74.136%0.36437%0.367SS..PPolyproline II helixtrans-55.4132.917124.4-34.7000111S134 C136S134-P178 VanDerWaalsContact O-CD 3.27Å; S134-P178 WeakPolarHBondContact O-CD 3.34Å; S134-P178 WeakPolarHBondContact O-CG 3.48Å; C136-P178 PolarHBondContact N-O 3.15Å
179I94.4Very high86.9Confident14 Ų1472.6 Ų72.67%0.07237%0.37CS..EExtended strand (participates in β ladder)trans-89.6127178.4-54.4172.7000107.6L104 V138 M163 R164 L167 P177 F181L104-I179 HydrophobicContact CD2-CD1 4.35Å; V138-I179 HydrophobicContact CG2-CG2 3.71Å; M163-I179 HydrophobicContact CB-CD1 4.17Å; R164-I179 HydrophobicContact CB-CD1 3.82Å; R164-I179 HydrophobicContact CB-CG1 4.31Å; L167-I179 HydrophobicContact CD1-CD1 3.81Å; P177-I179 PolarHBondContact O-N 3.42Å; I179-F181 HydrophobicContact CG2-CE1 4.37Å; I179-F181 HydrophobicContact CG2-CE2 3.98Å; I179-F181 HydrophobicContact CG2-CZ 3.81Å
180V94.8Very high87Confident62 Ų6273.6 Ų73.638%0.37637%0.368SS..EExtended strand (participates in β ladder)trans-123.9119.8178.3-178.20000108.2C136 R137 V138 V182C136-V180 PolarHBondContact O-N 3.07Å; R137-V180 WeakPolarHBondContact CA-O 3.42Å; V138-V180 PolarHBondContact N-O 3.37Å; V180-V182 HydrophobicContact CG1-CG2 4.26Å
181F94.6Very high87.3Confident6 Ų670.1 Ų70.13%0.02635%0.353CS..EExtended strand (participates in β ladder)trans-81.9135.1174.4-64.8-77.3000110.8V138 L156 Q157 A160 M163 I179V138-F181 HydrophobicContact CB-CD1 3.84Å; V138-F181 HydrophobicContact CB-CE1 3.87Å; V138-F181 HydrophobicContact CG1-CD1 3.9Å; V138-F181 HydrophobicContact CG1-CE1 3.72Å; V138-F181 HydrophobicContact CG2-CE1 4.42Å; V138-F181 WeakPolarHBondContact O-CA 3.45Å; L156-F181 HydrophobicContact CB-CB 4.39Å; L156-F181 HydrophobicContact CB-CD1 4.28Å; L156-F181 HydrophobicContact CB-CD2 3.83Å; L156-F181 HydrophobicContact CB-CE2 4.21Å; L156-F181 HydrophobicContact CB-CG 3.89Å; L156-F181 HydrophobicContact CD1-CD1 4.39Å; L156-F181 HydrophobicContact CD2-CD1 4.17Å; L156-F181 HydrophobicContact CD2-CE1 3.98Å; L156-F181 HydrophobicContact CD2-CZ 4.26Å; L156-F181 WeakPolarHBondContact O-CD2 3.36Å; L156-F181 WeakPolarHBondContact O-CE2 3.42Å; Q157-F181 PolarHBondContact NE2-O 2.94Å; A160-F181 HydrophobicContact CB-CD2 4.15Å; A160-F181 HydrophobicContact CB-CE2 3.64Å; M163-F181 HydrophobicContact CE-CE1 4.27Å; M163-F181 HydrophobicContact CE-CE2 3.63Å; M163-F181 HydrophobicContact CE-CZ 3.24Å; M163-F181 HydrophobicContact SD-CZ 3.89Å; I179-F181 HydrophobicContact CG2-CE1 4.37Å; I179-F181 HydrophobicContact CG2-CE2 3.98Å; I179-F181 HydrophobicContact CG2-CZ 3.81Å
182V93.8Very high88.1Confident49 Ų4966.9 Ų66.930%0.29734%0.338SS..EExtended strand (participates in β ladder)trans-135.6137.7-178.5-1760000108.7V138 Y139 W140 V180V138-V182 PolarHBondContact O-N 3.45Å; Y139-V182 VanDerWaalsContact CA-O 3.29Å; Y139-V182 WeakPolarHBondContact CA-O 3.48Å; Y139-V182 HydrophobicContact CD1-CB 4.1Å; Y139-V182 HydrophobicContact CD1-CG1 4.1Å; Y139-V182 HydrophobicContact CE1-CB 4.08Å; Y139-V182 HydrophobicContact CE1-CG1 3.82Å; W140-V182 PolarHBondContact N-O 2.98Å; V180-V182 HydrophobicContact CG1-CG2 4.26Å
183K92.3Very high89.2Confident80 Ų8068.8 Ų68.835%0.34835%0.346SS..EExtended strand (participates in β ladder)trans-66.3134173.9-68.4174.5-176.7160.50110.5W140 T142 E153 K185W140-K183 HydrophobicContact CH2-CG 4.26Å; W140-K183 HydrophobicContact CZ2-CD 4.22Å; W140-K183 HydrophobicContact CZ2-CG 3.52Å; T142-K183 HydrophobicContact CG2-CB 3.95Å; T142-K183 HydrophobicContact CG2-CD 4.07Å; T142-K183 HydrophobicContact CG2-CG 3.81Å; E153-K183 WeakPolarHBondContact OE2-CE 2.92Å; E153-K183 IonicContact OE2-NZ 2.79Å; E153-K183 PolarHBondContact OE2-NZ 3.48Å; K183-K185 PolarHBondContact O-N 3.31Å
184D93.2Very high90Very high20 Ų2071.3 Ų71.311%0.10736%0.36CS..  trans-71.4124.4173.9-1747.3000110.6S125 W140 K186 S187 A188S125-D184 VanDerWaalsContact CB-OD2 3.28Å; S125-D184 WeakPolarHBondContact CB-OD2 3.41Å; S125-D184 PolarHBondContact OG-OD2 3.46Å; W140-D184 PolarHBondContact O-N 2.91Å; W140-D184 VanDerWaalsContact O-N 3.15Å; D184-K186 VanDerWaalsContact C-N 3.27Å; D184-K186 PolarHBondContact O-N 3.49Å; D184-K186 PolarHBondContact OD1-N 2.72Å; D184-S187 WeakPolarHBondContact CB-OG 3.33Å; D184-S187 PolarHBondContact O-N 3.44Å; D184-S187 PolarHBondContact O-OG 3.02Å; D184-A188 WeakPolarHBondContact O-CB 3.32Å; D184-A188 PolarHBondContact O-N 3Å
185K89.9Confident90.5Very high180 Ų18062.6 Ų62.678%0.78333%0.329SS*.Hα-helixtrans-65.2-34.4177.6-65-176.3178.2-175.20111.3K183 A188 A189K183-K185 PolarHBondContact O-N 3.31Å; K185-A188 PolarHBondContact O-N 3.17Å; K185-A189 WeakPolarHBondContact O-CB 3.42Å; K185-A189 PolarHBondContact O-N 3.47Å
186K89.5Confident90.9Very high163 Ų16363.2 Ų63.271%0.70933%0.332SS*.Hα-helixtrans-69.2-45.2179.5-65-175179-173.80110.8D184 A188 A189 L190D184-K186 VanDerWaalsContact C-N 3.27Å; D184-K186 PolarHBondContact O-N 3.49Å; D184-K186 PolarHBondContact OD1-N 2.72Å; K186-A188 VanDerWaalsContact C-N 3.31Å; K186-A188 PolarHBondContact O-N 3.02Å; K186-A189 PolarHBondContact O-N 3.37Å; K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 2.97Å
187S87Confident91Very high14 Ų1466.9 Ų66.910%0.09835%0.351CS..Hα-helixtrans-64.6-37.7174.973.20000111.6T142 D184 L190 A191T142-S187 PolarHBondContact N-OG 2.88Å; T142-S187 PolarHBondContact OG1-OG 2.75Å; T142-S187 VanDerWaalsContact OG1-OG 3.07Å; D184-S187 WeakPolarHBondContact CB-OG 3.33Å; D184-S187 PolarHBondContact O-N 3.44Å; D184-S187 PolarHBondContact O-OG 3.02Å; S187-L190 PolarHBondContact O-N 3.4Å; S187-A191 WeakPolarHBondContact O-CB 3.41Å; S187-A191 PolarHBondContact O-N 3.3Å
188A87.3Confident91Very high36 Ų3670.9 Ų70.930%0.29838%0.384SS..Hα-helixtrans-62.2-43.8175.800000111.5D184 K185 K186 A191 E192D184-A188 WeakPolarHBondContact O-CB 3.32Å; D184-A188 PolarHBondContact O-N 3Å; K185-A188 PolarHBondContact O-N 3.17Å; K186-A188 VanDerWaalsContact C-N 3.31Å; K186-A188 PolarHBondContact O-N 3.02Å; A188-A191 PolarHBondContact O-N 2.87Å; A188-E192 WeakPolarHBondContact O-CG 3.27Å; A188-E192 PolarHBondContact O-N 3.31Å
189A89.8Confident90.9Very high63 Ų6374.4 Ų74.452%0.52140%0.404SS..Hα-helixtrans-62.8-41.8176.100000112.6K185 K186 E192 L193K185-A189 WeakPolarHBondContact O-CB 3.42Å; K185-A189 PolarHBondContact O-N 3.47Å; K186-A189 PolarHBondContact O-N 3.37Å; A189-E192 PolarHBondContact O-N 3.01Å; A189-L193 PolarHBondContact O-N 3.41Å
190L89.5Confident90.7Very high106 Ų10675.8 Ų75.856%0.55542%0.418SS*.Hα-helixtrans-63.9-41.6174.7-70174.5000111.8K186 S187 E192 L193 D194K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 2.97Å; S187-L190 PolarHBondContact O-N 3.4Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 3.48Å; L190-L193 WeakPolarHBondContact O-CB 3.44Å; L190-L193 PolarHBondContact O-N 3.07Å; L190-L193 VanDerWaalsContact O-N 3.13Å; L190-D194 PolarHBondContact O-N 2.92Å
191A87.7Confident90.5Very high7 Ų780 Ų806%0.05844%0.439CS..Hα-helixtrans-64.2-36.1177.100000112.5L144 S187 A188 K195L144-A191 HydrophobicContact CD2-CB 4.17Å; S187-A191 WeakPolarHBondContact O-CB 3.41Å; S187-A191 PolarHBondContact O-N 3.3Å; A188-A191 PolarHBondContact O-N 2.87Å; A191-K195 VanDerWaalsContact O-CG 3.24Å; A191-K195 WeakPolarHBondContact O-CG 3.37Å; A191-K195 PolarHBondContact O-N 3.29Å; A191-K195 VanDerWaalsContact O-N 3.07Å
192E89.1Confident89.9Confident101 Ų10187.6 Ų87.647%0.47247%0.472SS..Hα-helixtrans-66.7-40.5172.2-67.6-54.2127.900111.5A188 A189 L190 K195 L196A188-E192 WeakPolarHBondContact O-CG 3.27Å; A188-E192 PolarHBondContact O-N 3.31Å; A189-E192 PolarHBondContact O-N 3.01Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 3.48Å; E192-K195 PolarHBondContact O-N 2.96Å; E192-K195 IonicContact OE1-NZ 3.01Å; E192-K195 PolarHBondContact OE1-NZ 3.35Å; E192-L196 VanDerWaalsContact O-CG 3.3Å; E192-L196 WeakPolarHBondContact O-CG 3.46Å; E192-L196 PolarHBondContact O-N 3.08Å
193L92.1Very high89.4Confident84 Ų8487.5 Ų87.544%0.4448%0.481SS..Hα-helixtrans-59.8-47.6174.1-175.4157.5000111A189 L190 K195 L196 L197A189-L193 PolarHBondContact O-N 3.41Å; L190-L193 WeakPolarHBondContact O-CB 3.44Å; L190-L193 PolarHBondContact O-N 3.07Å; L190-L193 VanDerWaalsContact O-N 3.13Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.38Å; L193-L196 WeakPolarHBondContact O-CB 3.22Å; L193-L196 PolarHBondContact O-N 3.31Å; L193-L196 VanDerWaalsContact O-N 3.1Å; L193-L197 HydrophobicContact CD2-CD1 3.32Å; L193-L197 HydrophobicContact CD2-CG 3.71Å; L193-L197 WeakPolarHBondContact O-CG 3.03Å; L193-L197 PolarHBondContact O-N 3.23Å
194D90.1Very high89Confident78 Ų7890 Ų9042%0.41751%0.505SS..Hα-helixtrans-62.3-38.6179.5-70.2-21.5000112.1L144 L190 L196 L197 A198L144-D194 HydrophobicContact CD2-CB 3.71Å; L190-D194 PolarHBondContact O-N 2.92Å; D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L197 PolarHBondContact O-N 3.4Å; D194-A198 WeakPolarHBondContact O-CB 3.43Å; D194-A198 PolarHBondContact O-N 2.94Å
195K90Very high87.9Confident77 Ų7798.3 Ų98.334%0.33554%0.535SS..Hα-helixtrans-61.8-42.7172.7-71.7169.2-167.7173.40111.8L144 A191 E192 L193 A198 V199L144-K195 WeakPolarHBondContact O-CE 3.38Å; A191-K195 VanDerWaalsContact O-CG 3.24Å; A191-K195 WeakPolarHBondContact O-CG 3.37Å; A191-K195 PolarHBondContact O-N 3.29Å; A191-K195 VanDerWaalsContact O-N 3.07Å; E192-K195 PolarHBondContact O-N 2.96Å; E192-K195 IonicContact OE1-NZ 3.01Å; E192-K195 PolarHBondContact OE1-NZ 3.35Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.38Å; K195-A198 PolarHBondContact O-N 3.45Å; K195-V199 WeakPolarHBondContact O-CG2 3.38Å; K195-V199 PolarHBondContact O-N 3.32Å
196L91.1Very high86.8Confident125 Ų12593.8 Ų93.865%0.65452%0.519SS*.Hα-helixtrans-67.3-42.1177.7-68.2173.7000111.2E192 L193 D194 A198 V199 A200E192-L196 VanDerWaalsContact O-CG 3.3Å; E192-L196 WeakPolarHBondContact O-CG 3.46Å; E192-L196 PolarHBondContact O-N 3.08Å; L193-L196 WeakPolarHBondContact O-CB 3.22Å; L193-L196 PolarHBondContact O-N 3.31Å; L193-L196 VanDerWaalsContact O-N 3.1Å; D194-L196 VanDerWaalsContact C-N 3.34Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.18Å; L196-V199 PolarHBondContact O-N 2.68Å; L196-A200 PolarHBondContact O-N 2.93Å
197L91.1Very high85.6Confident79 Ų7994.2 Ų94.241%0.41452%0.524SS..Hα-helixtrans-62.6-36.1175-73.3-174.7000112.2L193 D194 V199 A200 F202L193-L197 HydrophobicContact CD2-CD1 3.32Å; L193-L197 HydrophobicContact CD2-CG 3.71Å; L193-L197 WeakPolarHBondContact O-CG 3.03Å; L193-L197 PolarHBondContact O-N 3.23Å; D194-L197 PolarHBondContact O-N 3.4Å; L197-V199 VanDerWaalsContact C-N 3.25Å; L197-V199 PolarHBondContact O-N 2.73Å; L197-A200 PolarHBondContact O-N 3.37Å; L197-F202 HydrophobicContact CD2-CZ 4.49Å; L197-F202 WeakPolarHBondContact O-CZ 3.37Å
198A89.9Confident84.3Confident88 Ų88102.2 Ų102.273%0.72755%0.552SS**Hα-helixtrans-66.9-26.9176.800000113.2D194 K195 L196D194-A198 WeakPolarHBondContact O-CB 3.43Å; D194-A198 PolarHBondContact O-N 2.94Å; K195-A198 PolarHBondContact O-N 3.45Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.18Å
199V90.8Very high82.9Confident130 Ų130107 Ų10779%0.78857%0.572SS**Hα-helixtrans-92.1-18.81781790000111.9K195 L196 L197K195-V199 WeakPolarHBondContact O-CG2 3.38Å; K195-V199 PolarHBondContact O-N 3.32Å; L196-V199 PolarHBondContact O-N 2.68Å; L197-V199 VanDerWaalsContact C-N 3.25Å; L197-V199 PolarHBondContact O-N 2.73Å
200A91.1Very high81.3Confident44 Ų44108.9 Ų108.936%0.36457%0.574SS.*SBendtrans-67.4137.1-178.300000111.9L196 L197L196-A200 PolarHBondContact O-N 2.93Å; L197-A200 PolarHBondContact O-N 3.37Å
201D89.6Confident79.7Confident150 Ų150112 Ų11280%0.80258%0.583SS**  trans-84.6116.3168.864-28.2000109.6G203D201-G203 PolarHBondContact O-N 3.28Å
202F83.9Confident78.2Confident166 Ų166116.9 Ų116.973%0.72861%0.612SS**  trans-76.318.7-177.9-67-76.5000114.2L197L197-F202 HydrophobicContact CD2-CZ 4.49Å; L197-F202 WeakPolarHBondContact O-CZ 3.37Å
203G82.7Confident76.5Confident47 Ų47120.8 Ų120.849%0.48563%0.63SS.*  trans65.9176.4-176.600000113.6D201 R205D201-G203 PolarHBondContact O-N 3.28Å; G203-R205 PolarHBondContact O-N 3.22Å
204P83Confident74.5Confident131 Ų131122.7 Ų122.785%0.85164%0.641SS**  trans-61.2129174.3-19.331.9000110.1D206P204-D206 PolarHBondContact O-N 3.46Å
205R71.5Confident72.4Confident195 Ų195125.8 Ų125.874%0.73666%0.657SS**  trans-64.1108.9172.5-165.8170.3-174.9-123.9-14.3107.5G203 E207 D210G203-R205 PolarHBondContact O-N 3.22Å; R205-E207 PolarHBondContact O-N 3.09Å; R205-E207 VanDerWaalsContact O-N 3.16Å; R205-D210 IonicContact CZ-OD1 3.61Å; R205-D210 IonicContact NH1-OD1 3.92Å; R205-D210 IonicContact NH2-OD1 3.96Å; R205-D210 PolarHBondContact NH2-OD1 3.46Å
206D66Low70.5Confident86 Ų86130.5 Ų130.546%0.4668%0.678SS.*  trans-67.2114.3173.8-153.213000106P204 R208 D209P204-D206 PolarHBondContact O-N 3.46Å; D206-R208 PolarHBondContact O-N 3.13Å; D206-R208 IonicContact OD1-CZ 3.73Å; D206-R208 IonicContact OD1-NE 3.96Å; D206-R208 PolarHBondContact OD1-NE 3.09Å; D206-R208 IonicContact OD1-NH2 2.91Å; D206-R208 PolarHBondContact OD1-NH2 3.33Å; D206-R208 IonicContact OD2-CZ 3.56Å; D206-R208 IonicContact OD2-NE 3.49Å; D206-R208 PolarHBondContact OD2-NE 2.95Å; D206-R208 IonicContact OD2-NH2 3.17Å; D206-R208 PolarHBondContact OD2-NH2 3.07Å; D206-D209 PolarHBondContact O-N 3.21Å
207E63.5Low68.6Low171 Ų171135.6 Ų135.680%0.79969%0.689SS**THydrogen-bonded Turntrans-6615-177.8-58.6-172.7172.500113R205R205-E207 PolarHBondContact O-N 3.09Å; R205-E207 VanDerWaalsContact O-N 3.16Å
208R60Low66.1Low183 Ų183139.7 Ų139.769%0.69171%0.711SS**THydrogen-bonded Turntrans-94.2-7.7-179.5-70.1-168.8-81.4-123.6-5.2114D206D206-R208 PolarHBondContact O-N 3.13Å; D206-R208 IonicContact OD1-CZ 3.73Å; D206-R208 IonicContact OD1-NE 3.96Å; D206-R208 PolarHBondContact OD1-NE 3.09Å; D206-R208 IonicContact OD1-NH2 2.91Å; D206-R208 PolarHBondContact OD1-NH2 3.33Å; D206-R208 IonicContact OD2-CZ 3.56Å; D206-R208 IonicContact OD2-NE 3.49Å; D206-R208 PolarHBondContact OD2-NE 2.95Å; D206-R208 IonicContact OD2-NH2 3.17Å; D206-R208 PolarHBondContact OD2-NH2 3.07Å
209D57.5Low64.3Low136 Ų136139.2 Ų139.273%0.72771%0.707SS**  trans-105.923-176.9-68.3-25.2000114D206 F211D206-D209 PolarHBondContact O-N 3.21Å; D209-F211 VanDerWaalsContact C-N 3.28Å
210D57.6Low62.2Low103 Ų103140.9 Ų140.955%0.55171%0.712SS**  trans-88.517.1170.3-73-31000113.3R205R205-D210 IonicContact CZ-OD1 3.61Å; R205-D210 IonicContact NH1-OD1 3.92Å; R205-D210 IonicContact NH2-OD1 3.96Å; R205-D210 PolarHBondContact NH2-OD1 3.46Å
211F56.4Low59.7Low172 Ų172143.4 Ų143.475%0.75473%0.733SS**  trans-126.1112169.8-54.8-84.8000106.6D209D209-F211 VanDerWaalsContact C-N 3.28Å
212V55.6Low57.6Low109 Ų109142.5 Ų142.566%0.66174%0.735SS**  -160112.569.8168.70000107.3N214V212-N214 PolarHBondContact O-N 3.44Å; V212-N214 VanDerWaalsContact O-N 3.09Å
213Q52.5Low55.9Low182 Ų182144 Ų14485%0.8575%0.745SS**  trans-57.5111.1148-90.7177.2-2.100106.2D215Q213-D215 PolarHBondContact O-N 3.01Å
214N50.4Low53.6Low124 Ų124147.6 Ų147.666%0.66376%0.762SS**  trans-69.779.5168.7-87.9-80.1000107.8V212 F216V212-N214 PolarHBondContact O-N 3.44Å; V212-N214 VanDerWaalsContact O-N 3.09Å; N214-F216 HydrophobicContact CB-CD2 4.22Å; N214-F216 HydrophobicContact CB-CE2 4.2Å; N214-F216 PolarHBondContact O-N 2.99Å
215D45.5Very low51.4Low143 Ų143147.7 Ų147.777%0.76576%0.764SS**  trans-9289.5165.6-139-2.2000107.4Q213 R217Q213-D215 PolarHBondContact O-N 3.01Å; D215-R217 VanDerWaalsContact C-N 3.27Å; D215-R217 PolarHBondContact O-N 2.65Å
216F50.9Low49.5Very low176 Ų176141.6 Ų141.677%0.77276%0.762SS**  trans-72.379.6172.2-85.3-91.5000109.4N214N214-F216 HydrophobicContact CB-CD2 4.22Å; N214-F216 HydrophobicContact CB-CE2 4.2Å; N214-F216 PolarHBondContact O-N 2.99Å
217R50.4Low48.3Very low232 Ų232143.5 Ų143.588%0.87578%0.777SS**  trans-166.2105.9147.9-69.3-151.5175.2-174.2-1.6110D215D215-R217 VanDerWaalsContact C-N 3.27Å; D215-R217 PolarHBondContact O-N 2.65Å
218D39.3Very low47.2Very low165 Ų165141.9 Ų141.988%0.88278%0.779SS**  -171.9132.3105.3-134.1-13000110.1
219A51.9Low46.6Very low79 Ų79141.1 Ų141.165%0.65378%0.783SS**  trans-91.1112.4169.100000106.4
220D46.6Very low46.6Very low164 Ų164140.5 Ų140.588%0.87779%0.787SS**  trans150.586.1147.1-76.1-28.5000112
221A38.9Very low46.6Very low97 Ų97139.7 Ų139.780%0.80279%0.794SS**  trans-168145.9146.700000111.9
222P46Very low46.6Very low132 Ų132137 Ų13786%0.85779%0.794SS**  trans-84.5155.9-16433.6-34.5000114.8
223Q46.9Very low46.7Very low198 Ų198134.5 Ų134.593%0.92578%0.781SS**  trans-32.2132.5177.1-70.9173.7-33.400116.8
224S34.8Very low47.1Very low122 Ų122132.4 Ų132.485%0.85378%0.781SS**  trans-111.4119.6150.4173.30000108.5
225C36.5Very low47.6Very low133 Ų133131.2 Ų131.290%0.89978%0.781SS**  trans-85125179.1-145.60000108.6
226G31.4Very low48.8Very low66 Ų66127.8 Ų127.868%0.6878%0.78SS**  trans-145.183.7176.900000110.9T228G226-T228 PolarHBondContact O-N 3.4Å
227T41Very low50Low127 Ų127123.7 Ų123.778%0.77977%0.765SS**  trans16.692.2154.1-48.20000116.6E229T227-E229 PolarHBondContact O-N 3.48Å
228T41.3Very low51.6Low137 Ų137117.1 Ų117.184%0.8475%0.747SS**  trans-76106.3157-54.40000107.8G226G226-T228 PolarHBondContact O-N 3.4Å
229E47.7Very low53.6Low166 Ų166115.2 Ų115.278%0.77673%0.733SS**  trans-57.9127.9168.1-68-142.2138.900109.9T227 A231T227-E229 PolarHBondContact O-N 3.48Å; E229-A231 PolarHBondContact O-N 3.06Å
230P57Low55.3Low124 Ų124117.1 Ų117.181%0.80573%0.728SS**  trans-71.4115.7172.827-29.3000108.5
231A58.2Low57.3Low86 Ų86111.8 Ų111.871%0.71171%0.707SS**  trans-47.3138.8174.900000111.2E229 S233E229-A231 PolarHBondContact O-N 3.06Å; A231-S233 PolarHBondContact O-N 3Å
232P55.8Low59.8Low114 Ų114111.1 Ų111.174%0.7469%0.689SS**  trans-60.7127.6-179.624-32000109.9V234P232-V234 WeakPolarHBondContact O-CG2 3.35Å; P232-V234 PolarHBondContact O-N 3.17Å
233S58Low61.9Low58 Ų58109.4 Ų109.441%0.40667%0.673SS.*  trans-58.690.4178.3144.90000110.9A231 C235 G236 I237A231-S233 PolarHBondContact O-N 3Å; S233-C235 PolarHBondContact O-N 3.38Å; S233-G236 PolarHBondContact O-N 3.42Å; S233-G236 WeakPolarHBondContact OG-CA 3.48Å; S233-G236 PolarHBondContact OG-N 3.38Å; S233-I237 PolarHBondContact OG-N 3.42Å; S233-I237 PolarHBondContact OG-O 3.23Å
234V61.3Low64.1Low137 Ų137106 Ų10683%0.8366%0.655SS**THydrogen-bonded Turntrans-67-16.1-178.81740000113P232P232-V234 WeakPolarHBondContact O-CG2 3.35Å; P232-V234 PolarHBondContact O-N 3.17Å
235C61Low66.9Low99 Ų99106.2 Ų106.267%0.66964%0.643SS**THydrogen-bonded Turntrans-115.718.3-179-70.10000114.6S233 I237S233-C235 PolarHBondContact O-N 3.38Å; C235-I237 HydrophobicContact CB-CD1 3.98Å; C235-I237 HydrophobicContact CB-CG1 4.49Å; C235-I237 WeakPolarHBondContact O-CG1 3.4Å; C235-I237 PolarHBondContact O-N 3.02Å
236G68.8Low69.5Low72 Ų72103.4 Ų103.474%0.74262%0.618SS**SBendtrans609.9-178.500000114.8S233S233-G236 PolarHBondContact O-N 3.42Å; S233-G236 WeakPolarHBondContact OG-CA 3.48Å; S233-G236 PolarHBondContact OG-N 3.38Å
237I77.1Confident72.3Confident89 Ų89105.5 Ų105.546%0.45661%0.611SS.*  trans-96.4113.6-179.8-64.4155.1000107S233 C235 H239S233-I237 PolarHBondContact OG-N 3.42Å; S233-I237 PolarHBondContact OG-O 3.23Å; C235-I237 HydrophobicContact CB-CD1 3.98Å; C235-I237 HydrophobicContact CB-CG1 4.49Å; C235-I237 WeakPolarHBondContact O-CG1 3.4Å; C235-I237 PolarHBondContact O-N 3.02Å; I237-H239 PolarHBondContact O-CD2 3.03Å; I237-H239 PolarHBondContact O-N 2.78Å
238N84.4Confident74.7Confident95 Ų95103.3 Ų103.351%0.50859%0.592SS.*  trans-70.396.9172.9-172.2-36.2000109.1E240 A241 L242N238-E240 PolarHBondContact O-N 3.42Å; N238-E240 VanDerWaalsContact OD1-CB 3.25Å; N238-E240 WeakPolarHBondContact OD1-CB 3.41Å; N238-E240 PolarHBondContact OD1-N 2.8Å; N238-E240 VanDerWaalsContact OD1-N 3.09Å; N238-A241 HydrophobicContact CB-CB 4.01Å; N238-A241 PolarHBondContact O-N 3.31Å; N238-A241 VanDerWaalsContact O-N 3.13Å; N238-A241 PolarHBondContact OD1-N 3.42Å; N238-A241 VanDerWaalsContact OD1-N 3.07Å; N238-L242 PolarHBondContact O-N 3.27Å; N238-L242 VanDerWaalsContact O-N 3.09Å
239H81.6Confident77Confident124 Ų124104.3 Ų104.357%0.57458%0.582SS**Hα-helixtrans-57-30.6-180-70.4-81.1000112.6I237 N243I237-H239 PolarHBondContact O-CD2 3.03Å; I237-H239 PolarHBondContact O-N 2.78Å; H239-N243 WeakPolarHBondContact O-CB 3.25Å; H239-N243 PolarHBondContact O-N 3.07Å
240E87.4Confident78.9Confident120 Ų120101.7 Ų101.756%0.56157%0.568SS**Hα-helixtrans-69.4-44.3177.4-162.8-168160.400111.4N238 N243 K244N238-E240 PolarHBondContact O-N 3.42Å; N238-E240 VanDerWaalsContact OD1-CB 3.25Å; N238-E240 WeakPolarHBondContact OD1-CB 3.41Å; N238-E240 PolarHBondContact OD1-N 2.8Å; N238-E240 VanDerWaalsContact OD1-N 3.09Å; E240-N243 PolarHBondContact O-N 3.13Å; E240-K244 WeakPolarHBondContact O-CB 3.28Å; E240-K244 VanDerWaalsContact O-CG 3.28Å; E240-K244 WeakPolarHBondContact O-CG 3.48Å; E240-K244 PolarHBondContact O-N 2.82Å; E240-K244 VanDerWaalsContact OE1-CE 3.24Å; E240-K244 WeakPolarHBondContact OE1-CE 3.24Å; E240-K244 IonicContact OE1-NZ 2.79Å; E240-K244 PolarHBondContact OE1-NZ 3.38Å
241A88.9Confident80.3Confident52 Ų52102 Ų10243%0.4355%0.553SS.*Hα-helixtrans-63.9-42.5176.500000111.8N238 K244 Q245N238-A241 HydrophobicContact CB-CB 4.01Å; N238-A241 PolarHBondContact O-N 3.31Å; N238-A241 VanDerWaalsContact O-N 3.13Å; N238-A241 PolarHBondContact OD1-N 3.42Å; N238-A241 VanDerWaalsContact OD1-N 3.07Å; A241-K244 PolarHBondContact O-N 3.01Å; A241-Q245 PolarHBondContact O-N 3.1Å
242L90.6Very high81.4Confident83 Ų83104.4 Ų104.444%0.43554%0.543SS..Hα-helixtrans-62.4-46.4176.8178.162.2000111.6N238 K244 Q245 I246N238-L242 PolarHBondContact O-N 3.27Å; N238-L242 VanDerWaalsContact O-N 3.09Å; L242-K244 VanDerWaalsContact C-N 3.35Å; L242-K244 PolarHBondContact O-N 3.36Å; L242-Q245 WeakPolarHBondContact O-CB 3.39Å; L242-Q245 PolarHBondContact O-N 3.4Å; L242-Q245 VanDerWaalsContact O-N 3.15Å; L242-I246 HydrophobicContact CD1-CD1 4.33Å; L242-I246 HydrophobicContact CD1-CG1 4.49Å; L242-I246 HydrophobicContact CG-CD1 4.03Å; L242-I246 WeakPolarHBondContact O-CG1 3.34Å; L242-I246 PolarHBondContact O-N 3Å
243N90Very high82.5Confident95 Ų95104.9 Ų104.951%0.50853%0.534SS..Hα-helixtrans-64.9-39.6-179.9-16628.6000111.7H239 E240 Q245 I246 M247H239-N243 WeakPolarHBondContact O-CB 3.25Å; H239-N243 PolarHBondContact O-N 3.07Å; E240-N243 PolarHBondContact O-N 3.13Å; N243-Q245 VanDerWaalsContact C-N 3.28Å; N243-Q245 PolarHBondContact O-N 3.22Å; N243-I246 PolarHBondContact O-N 3.05Å; N243-M247 WeakPolarHBondContact O-CB 3.32Å; N243-M247 WeakPolarHBondContact O-CG 3.31Å; N243-M247 PolarHBondContact O-N 3.38Å
244K93.7Very high83Confident127 Ų127107.1 Ų107.155%0.55254%0.541SS*.Hα-helixtrans-57.3-42.3172.1-75.5172-176.7170.20111.6E240 A241 L242 M247 E248E240-K244 WeakPolarHBondContact O-CB 3.28Å; E240-K244 VanDerWaalsContact O-CG 3.28Å; E240-K244 WeakPolarHBondContact O-CG 3.48Å; E240-K244 PolarHBondContact O-N 2.82Å; E240-K244 VanDerWaalsContact OE1-CE 3.24Å; E240-K244 WeakPolarHBondContact OE1-CE 3.24Å; E240-K244 IonicContact OE1-NZ 2.79Å; E240-K244 PolarHBondContact OE1-NZ 3.38Å; A241-K244 PolarHBondContact O-N 3.01Å; L242-K244 VanDerWaalsContact C-N 3.35Å; L242-K244 PolarHBondContact O-N 3.36Å; K244-M247 PolarHBondContact O-N 3.41Å; K244-E248 WeakPolarHBondContact O-CB 3.3Å; K244-E248 PolarHBondContact O-N 3.04Å
245Q92.5Very high83.3Confident127 Ų127107.5 Ų107.559%0.59353%0.532SS*.Hα-helixtrans-68.3-39.6177.6-166.1176-11.600112.6A241 L242 N243 E248 Y249A241-Q245 PolarHBondContact O-N 3.1Å; L242-Q245 WeakPolarHBondContact O-CB 3.39Å; L242-Q245 PolarHBondContact O-N 3.4Å; L242-Q245 VanDerWaalsContact O-N 3.15Å; N243-Q245 VanDerWaalsContact C-N 3.28Å; N243-Q245 PolarHBondContact O-N 3.22Å; Q245-E248 PolarHBondContact O-N 3.27Å; Q245-Y249 WeakPolarHBondContact O-CB 3.16Å; Q245-Y249 PolarHBondContact O-N 3.31Å
246I91.8Very high83.1Confident73 Ų73106 Ų10637%0.37453%0.533SS..Hα-helixtrans-61.1-47.1174.2-69.3167.4000110.4L242 N243 Y249 K250L242-I246 HydrophobicContact CD1-CD1 4.33Å; L242-I246 HydrophobicContact CD1-CG1 4.49Å; L242-I246 HydrophobicContact CG-CD1 4.03Å; L242-I246 WeakPolarHBondContact O-CG1 3.34Å; L242-I246 PolarHBondContact O-N 3Å; N243-I246 PolarHBondContact O-N 3.05Å; I246-Y249 PolarHBondContact O-N 3.17Å; I246-K250 HydrophobicContact CG2-CD 4.34Å; I246-K250 WeakPolarHBondContact O-CG 3.48Å; I246-K250 PolarHBondContact O-N 3.29Å
247M90.1Very high82.3Confident111 Ų111108.2 Ų108.255%0.54753%0.527SS..Hα-helixtrans-65.7-40.2-179.9-70.9-60.7-71.400111.9N243 K244 K250 R251N243-M247 WeakPolarHBondContact O-CB 3.32Å; N243-M247 WeakPolarHBondContact O-CG 3.31Å; N243-M247 PolarHBondContact O-N 3.38Å; K244-M247 PolarHBondContact O-N 3.41Å; M247-K250 PolarHBondContact O-N 2.85Å; M247-R251 WeakPolarHBondContact O-CB 3.22Å; M247-R251 PolarHBondContact O-N 3.12Å
248E92.1Very high81Confident81 Ų81107.6 Ų107.638%0.37954%0.542SS..Hα-helixtrans-67.4-39.1175.9-165.1-167.3-166.100112.3K244 Q245 R251 R252K244-E248 WeakPolarHBondContact O-CB 3.3Å; K244-E248 PolarHBondContact O-N 3.04Å; Q245-E248 PolarHBondContact O-N 3.27Å; E248-R251 PolarHBondContact O-N 3.43Å; E248-R252 VanDerWaalsContact CD-NH2 3.33Å; E248-R252 WeakPolarHBondContact O-CB 3.49Å; E248-R252 WeakPolarHBondContact O-CG 3.48Å; E248-R252 PolarHBondContact O-N 3.24Å; E248-R252 IonicContact OE1-CZ 3.85Å; E248-R252 IonicContact OE1-NE 2.97Å; E248-R252 IonicContact OE1-NH2 3.88Å; E248-R252 IonicContact OE2-CZ 3.42Å; E248-R252 IonicContact OE2-NE 3.33Å; E248-R252 IonicContact OE2-NH2 3.9Å; E248-R252 PolarHBondContact OE2-NH2 3.18Å
249Y89.4Confident79.3Confident157 Ų157105.9 Ų105.962%0.61655%0.548SS*.Hα-helixtrans-63.3-45.3175.4-178.9-95.8000111.6Q245 I246 R251 R252 K253Q245-Y249 WeakPolarHBondContact O-CB 3.16Å; Q245-Y249 PolarHBondContact O-N 3.31Å; I246-Y249 PolarHBondContact O-N 3.17Å; Y249-R251 PolarHBondContact O-N 2.85Å; Y249-R252 PolarHBondContact O-N 2.81Å; Y249-K253 WeakPolarHBondContact O-CB 3.42Å; Y249-K253 PolarHBondContact O-N 3.34Å
250K87.8Confident77.5Confident112 Ų112107.1 Ų107.149%0.48756%0.558SS.*Hα-helixtrans-57-50.2173.6-73.7178.6177.9-178.20110.8I246 M247 R252 K253 D254I246-K250 HydrophobicContact CG2-CD 4.34Å; I246-K250 WeakPolarHBondContact O-CG 3.48Å; I246-K250 PolarHBondContact O-N 3.29Å; M247-K250 PolarHBondContact O-N 2.85Å; K250-R252 VanDerWaalsContact C-N 3.3Å; K250-R252 PolarHBondContact O-N 2.97Å; K250-K253 WeakPolarHBondContact O-CB 3.17Å; K250-K253 PolarHBondContact O-N 3.32Å; K250-K253 VanDerWaalsContact O-N 3.13Å; K250-D254 WeakPolarHBondContact O-CB 3.41Å; K250-D254 PolarHBondContact O-N 3.39Å; K250-D254 VanDerWaalsContact O-OD2 3.09Å
251R85.7Confident75.6Confident129 Ų129107.3 Ų107.349%0.48757%0.567SS.*Hα-helixtrans-58.7-38.9176.9-168.8-169.870.9146.8-2112.9M247 E248 Y249 K255M247-R251 WeakPolarHBondContact O-CB 3.22Å; M247-R251 PolarHBondContact O-N 3.12Å; E248-R251 PolarHBondContact O-N 3.43Å; Y249-R251 PolarHBondContact O-N 2.85Å; R251-K255 HydrophobicContact CG-CD 4.18Å; R251-K255 VanDerWaalsContact O-CB 3.32Å; R251-K255 WeakPolarHBondContact O-CB 3.24Å; R251-K255 WeakPolarHBondContact O-CG 3.18Å; R251-K255 PolarHBondContact O-N 3.4Å
252R81Confident73.4Confident137 Ų137114.2 Ų114.252%0.51758%0.582SS.*Hα-helixtrans-71.4-38.8177-79-171-84.6-176.6-10.1112.1E248 Y249 K250 K255 G256E248-R252 VanDerWaalsContact CD-NH2 3.33Å; E248-R252 WeakPolarHBondContact O-CB 3.49Å; E248-R252 WeakPolarHBondContact O-CG 3.48Å; E248-R252 PolarHBondContact O-N 3.24Å; E248-R252 IonicContact OE1-CZ 3.85Å; E248-R252 IonicContact OE1-NE 2.97Å; E248-R252 IonicContact OE1-NH2 3.88Å; E248-R252 IonicContact OE2-CZ 3.42Å; E248-R252 IonicContact OE2-NE 3.33Å; E248-R252 IonicContact OE2-NH2 3.9Å; E248-R252 PolarHBondContact OE2-NH2 3.18Å; Y249-R252 PolarHBondContact O-N 2.81Å; K250-R252 VanDerWaalsContact C-N 3.3Å; K250-R252 PolarHBondContact O-N 2.97Å; R252-K255 PolarHBondContact O-N 3.34Å; R252-G256 PolarHBondContact O-N 3.43Å
253K79.9Confident71.1Confident125 Ų125119.4 Ų119.454%0.54360%0.604SS.*Hα-helixtrans-62.5-44.6173.3-171.8-168.1177.5-169.70111Y249 K250 G256 L257Y249-K253 WeakPolarHBondContact O-CB 3.42Å; Y249-K253 PolarHBondContact O-N 3.34Å; K250-K253 WeakPolarHBondContact O-CB 3.17Å; K250-K253 PolarHBondContact O-N 3.32Å; K250-K253 VanDerWaalsContact O-N 3.13Å; K253-G256 PolarHBondContact O-N 2.88Å; K253-L257 HydrophobicContact CG-CD1 4.23Å; K253-L257 WeakPolarHBondContact O-CG 3.42Å; K253-L257 PolarHBondContact O-N 3.39Å
254D68.9Low68.9Low105 Ų105117.4 Ų117.456%0.56161%0.606SS**Hα-helixtrans-70.6-34.6-178.5-60.5-23.6000111.5K250 L257K250-D254 WeakPolarHBondContact O-CB 3.41Å; K250-D254 PolarHBondContact O-N 3.39Å; K250-D254 VanDerWaalsContact O-OD2 3.09Å; D254-L257 PolarHBondContact O-N 3.25Å
255K66.2Low66.4Low144 Ų144116.8 Ų116.863%0.62661%0.605SS**Hα-helixtrans-74-26.1172.7-72.5176.2178.5-166.80113.8R251 R252 L257R251-K255 HydrophobicContact CG-CD 4.18Å; R251-K255 VanDerWaalsContact O-CB 3.32Å; R251-K255 WeakPolarHBondContact O-CB 3.24Å; R251-K255 WeakPolarHBondContact O-CG 3.18Å; R251-K255 PolarHBondContact O-N 3.4Å; R252-K255 PolarHBondContact O-N 3.34Å; K255-L257 VanDerWaalsContact C-N 3.3Å
256G57.7Low64.1Low67 Ų67116 Ų11669%0.69161%0.608SS**Hα-helixtrans-78.9-11.2172.300000114R252 K253 G258R252-G256 PolarHBondContact O-N 3.43Å; K253-G256 PolarHBondContact O-N 2.88Å; G256-G258 VanDerWaalsContact C-N 3.31Å
257L52.4Low62Low120 Ų120115.9 Ų115.963%0.62862%0.619SS**THydrogen-bonded Turntrans-95.525.4177-79.3161.8000112.7K253 D254 K255 G259K253-L257 HydrophobicContact CG-CD1 4.23Å; K253-L257 WeakPolarHBondContact O-CG 3.42Å; K253-L257 PolarHBondContact O-N 3.39Å; D254-L257 PolarHBondContact O-N 3.25Å; K255-L257 VanDerWaalsContact C-N 3.3Å; L257-G259 PolarHBondContact O-N 3.22Å
258G49.9Very low59.9Low75 Ų75117 Ų11777%0.77362%0.623SS**SBendtrans-75.376.915900000110.9G256G256-G258 VanDerWaalsContact C-N 3.31Å
259G47.8Very low57.6Low60 Ų60119.1 Ų119.162%0.61964%0.636SS**SBendtrans8692.3160.300000117.5L257L257-G259 PolarHBondContact O-N 3.22Å
260L43.4Very low55.6Low150 Ų150115.2 Ų115.279%0.78563%0.628SS**  -173.5113.7127.2-12676.8000111W262L260-W262 PolarHBondContact O-N 2.95Å
261V48.4Very low54Low124 Ų124114 Ų11475%0.75263%0.63SS**  trans20.389.6140.1-174.70000116.2
262W42.5Very low52.3Low196 Ų196114.8 Ų114.874%0.74264%0.639SS**  trans-111.247.6170.6-128.8-122.9000112.6L260L260-W262 PolarHBondContact O-N 2.95Å
263Q41.7Very low50.7Low193 Ų193115.5 Ų115.590%0.90265%0.651SS**SBendtrans-116.2-1.4168.9-84.8-158.1-1.800114.5
264G43.7Very low49.4Very low53 Ų53118.2 Ų118.255%0.54666%0.662SS.*SBendtrans-98.1-23.7-173.600000117.4
265Q42Very low48.4Very low113 Ų113122.6 Ų122.653%0.52868%0.677SS.*SBendtrans-101.2-5.4-162.2-73.4174.34.900115.9
266V42.7Very low47.6Very low110 Ų110118.7 Ų118.767%0.66768%0.677SS**Hα-helixtrans-76.2-25.1179.2-178.40000112T270V266-T270 WeakPolarHBondContact O-CG2 3.36Å; V266-T270 PolarHBondContact O-OG1 3.45Å
267A48.5Very low47.3Very low72 Ų72127 Ų12760%0.59569%0.688SS**Hα-helixtrans-74.7-29.7178.300000113.1T270A267-T270 PolarHBondContact O-OG1 3.35Å
268E45.1Very low47.2Very low135 Ų135131 Ų13163%0.63170%0.7SS**Hα-helixtrans-85.9-35.5-174.4-158.5164.9-165.700112.5T270 T271E268-T270 PolarHBondContact O-N 3.31Å; E268-T271 PolarHBondContact O-N 3.35Å; E268-T271 PolarHBondContact O-OG1 3.06Å
269L45.1Very low47.1Very low124 Ų124138.7 Ų138.765%0.64971%0.705SS**Hα-helixtrans-67.6-33.3176.4-112.289.7000113.2T271 M273L269-T271 VanDerWaalsContact C-N 3.32Å; L269-T271 PolarHBondContact O-N 3.09Å; L269-M273 PolarHBondContact O-N 2.79Å
270T48Very low46.6Very low76 Ų76140.8 Ų140.847%0.46672%0.717SS.*Hα-helixtrans-74.6-21.2-17852.70000113.1V266 A267 E268V266-T270 WeakPolarHBondContact O-CG2 3.36Å; V266-T270 PolarHBondContact O-OG1 3.45Å; A267-T270 PolarHBondContact O-OG1 3.35Å; E268-T270 PolarHBondContact O-N 3.31Å
271T53.1Low46.4Very low86 Ų86145.6 Ų145.653%0.52873%0.725SS.*Hα-helixtrans-83.1-29.8176.358.80000112.8E268 L269E268-T271 PolarHBondContact O-N 3.35Å; E268-T271 PolarHBondContact O-OG1 3.06Å; L269-T271 VanDerWaalsContact C-N 3.32Å; L269-T271 PolarHBondContact O-N 3.09Å
272Q49.8Very low45.6Very low145 Ų145151 Ų15168%0.67873%0.732SS**Hα-helixtrans-73.5-36.5176.6-70.9-153.949.900113.4K274 K275Q272-K274 PolarHBondContact O-N 3.01Å; Q272-K275 PolarHBondContact O-N 3.17Å
273M47.3Very low45.2Very low153 Ų153153 Ų15375%0.75474%0.739SS**THydrogen-bonded Turntrans-67.4-19.6178.9-73.7-114.1168.800114L269L269-M273 PolarHBondContact O-N 2.79Å
274K52.5Low44.8Very low182 Ų182152.3 Ų152.379%0.79174%0.741SS**THydrogen-bonded Turntrans-80.5-12.8177.7-71.7179.3179.7175.50114Q272Q272-K274 PolarHBondContact O-N 3.01Å
275K49.5Very low44.4Very low197 Ų197157.2 Ų157.286%0.85775%0.749SS**THydrogen-bonded Turntrans-95-15.1177.8-76.8179.6176.51750114.4Q272Q272-K275 PolarHBondContact O-N 3.17Å
276G49.3Very low44.3Very low62 Ų62159.8 Ų159.864%0.63976%0.761SS**SBendtrans-91.1-12.7-174.700000116.8K278G276-K278 VanDerWaalsContact C-N 3.3Å; G276-K278 PolarHBondContact O-N 3.49Å; G276-K278 VanDerWaalsContact O-N 3.11Å
277R49.8Very low43.9Very low241 Ų241162.4 Ų162.491%0.90977%0.772SS**THydrogen-bonded Turntrans-87.125.2-164.5-132175.7-177.2-177.90.4116
278K51.1Low44Very low203 Ų203164.9 Ų164.988%0.88378%0.784SS**THydrogen-bonded Turntrans-115.92179.5-96.5-175.9179.1178.50116.3G276G276-K278 VanDerWaalsContact C-N 3.3Å; G276-K278 PolarHBondContact O-N 3.49Å; G276-K278 VanDerWaalsContact O-N 3.11Å
279R47.5Very low44.3Very low237 Ų237163.2 Ų163.289%0.89479%0.788SS**SBendtrans-141.881.7175.6-76.2-175.2175.1-174.2-1.4112
280A37.3Very low44.1Very low105 Ų105164.9 Ų164.987%0.86880%0.797SS**  trans-171.785.115400000109.1
281R40.3Very low43.7Very low250 Ų250170.7 Ų170.794%0.94382%0.815SS**  trans-13586.4164.9-143.6-172-165.8-152.63.2107.6
282R30.4Very low43.3Very low239 Ų239171.1 Ų171.190%0.90282%0.822SS**  trans-152.1116.9157.8-72.8-157.6176.5-177.8-0.6110.7
283R35.1Very low42.8Very low238 Ų238174.6 Ų174.690%0.89883%0.83SS**  trans47.7112.8145.5-58.6-167.1-179.9-139.72.3118.7
284L32.8Very low42.7Very low177 Ų177174.9 Ų174.993%0.92783%0.834SS**  -148.3125116-167.756.9000108.8
285E34.9Very low42.1Very low156 Ų156170.1 Ų170.173%0.72982%0.824SS**  trans-97.2153.8176.9-176.6-178.1-178.500107
286Q39.8Very low41.7Very low167 Ų167165 Ų16578%0.7883%0.827SS**  trans90.685.9179.2-52.4-176.41.900115.4
287D34.4Very low41.2Very low166 Ų166170.1 Ų170.189%0.88883%0.834SS**  -170.876.9123.5-92.1-17.8000107.5
288S51Low40.5Very low123 Ų123168 Ų16886%0.8683%0.834SS**  trans-109.371.4178.7-49.30000108.7
289S52.7Low39.9Very low101 Ų101163.9 Ų163.971%0.70683%0.826SS**  trans-166.7100.1167.8-179.90000108.4
290L39.9Very low39.6Very low159 Ų159161.4 Ų161.483%0.83283%0.825SS**SBendtrans170.7-13.8156.4-97159.4000112.1
291K39.2Very low39.8Very low197 Ų197164 Ų16486%0.85782%0.824SS**SBendtrans-93.4-7.2179.7-118.2177.6178.3-1780115.3
292S45.4Very low39.6Very low96 Ų96158.6 Ų158.667%0.67181%0.814SS**THydrogen-bonded Turntrans-89.1-1.9-176.363.50000114.8
293Y38Very low40.4Very low217 Ų217152.8 Ų152.885%0.85181%0.807SS**THydrogen-bonded Turntrans-102-5.1-179.9-99.3-85.8000114.5
294L46.3Very low40.8Very low160 Ų160148.1 Ų148.184%0.83880%0.8SS**SBendtrans-116.7-4.7-177.5-76.8171.3000114.9
295S38.9Very low41.3Very low82 Ų82148.1 Ų148.157%0.57380%0.8SS**  trans-132.883.7177.9-60.90000108.9E297S295-E297 PolarHBondContact O-N 3.16Å
296G41.1Very low41.7Very low89 Ų89148.2 Ų148.292%0.91881%0.811SS**  trans-71.981.5156.900000108.4
297E38.7Very low41.3Very low169 Ų169143.5 Ų143.579%0.7981%0.807SS**  trans-124.7110.6165.4-94.4-179.1125.300107.9S295S295-E297 PolarHBondContact O-N 3.16Å
298E36Very low41.5Very low196 Ų196140.4 Ų140.492%0.91681%0.805SS**  trans-67.9125.1164.2-61.7-176.9153.500107.7E300E298-E300 PolarHBondContact O-N 3.49Å
299V39Very low41.1Very low118 Ų118140.1 Ų140.172%0.71580%0.8SS**  trans-76.3113.1-179.21720000109.3
300E41.5Very low40.5Very low185 Ų185144.6 Ų144.686%0.86481%0.81SS**  trans-111.6119.8155-76.4-95.5133.200107.3E298 D302E298-E300 PolarHBondContact O-N 3.49Å; E300-D302 PolarHBondContact O-N 2.78Å; E300-D302 VanDerWaalsContact O-N 3.16Å
301D40Very low40.4Very low158 Ų158146.1 Ų146.185%0.84581%0.806SS**  trans-70.5100.9-177.4-73.3-67.9000111.8
302D36.2Very low40Very low138 Ų138145 Ų14574%0.73880%0.803SS**  trans-111.3112.5168.9-155.3-31.1000110.3E300 D304E300-D302 PolarHBondContact O-N 2.78Å; E300-D302 VanDerWaalsContact O-N 3.16Å; D302-D304 PolarHBondContact O-N 2.91Å
303P48.7Very low39.2Very low116 Ų116145 Ų14575%0.75380%0.802SS**  trans-93.975-177.936.7-33.5000111.9
304D43Very low38.9Very low141 Ų141144.7 Ų144.775%0.75480%0.801SS**  trans-149.690.3168.1-92.5-27.3000111.9D302D302-D304 PolarHBondContact O-N 2.91Å
305L43.7Very low38.2Very low176 Ų176141 Ų14192%0.92179%0.794SS**  trans-155.978.7156.7-140.779.7000112.9
306V41.8Very low38Very low159 Ų159144.9 Ų144.996%0.96481%0.807SS**  trans-141.7111.8151.4-1790000109
307G31.8Very low37.5Very low67 Ų67148.4 Ų148.469%0.69181%0.805SS**  trans13184.316300000113.4
308A39.7Very low37.3Very low102 Ų102145.6 Ų145.684%0.84380%0.8SS**  trans-59.8146.3154.200000109.4
309P41.5Very low37.3Very low116 Ų116145 Ų14575%0.75380%0.797SS**  trans-126.9128.6131.531.1-19.4000110.3Y311P309-Y311 PolarHBondContact O-N 2.84Å
310E40.2Very low37Very low196 Ų196147.4 Ų147.492%0.91680%0.8SS**  trans-50.7128.8153.3-68.9165.1160.300108
311Y38.1Very low36.9Very low191 Ų191147.2 Ų147.275%0.74980%0.804SS**  trans-120.6114.2161.695.2-91000107P309 C313P309-Y311 PolarHBondContact O-N 2.84Å; Y311-C313 WeakPolarHBondContact CE2-SG 3.45Å
312E30.3Very low36.6Very low172 Ų172147.6 Ų147.680%0.80480%0.801SS**PPolyproline II helixtrans-64.5125167.6-75.6168.7140.300108.4
313C28.3Very low36.6Very low96 Ų96145.6 Ų145.665%0.64980%0.803SS**PPolyproline II helixtrans-77.2117.8166.3-69.80000108.5Y311 A315Y311-C313 WeakPolarHBondContact CE2-SG 3.45Å; C313-A315 PolarHBondContact O-N 2.98Å
314Y33.2Very low36.2Very low212 Ų212149.8 Ų149.883%0.83181%0.813SS**PPolyproline II helixtrans-67.6126.5161.9-75.9-85.2000109
315A31.2Very low36Very low83 Ų83152.8 Ų152.869%0.68682%0.819SS**PPolyproline II helixtrans-61.1132.5167.100000109.5C313C313-A315 PolarHBondContact O-N 2.98Å
316L33.9Very low35.4Very low163 Ų163148.1 Ų148.185%0.85381%0.814SS**  trans-83.6109.5163.5-72.8168.6000106.6
317D30.2Very low35Very low163 Ų163144.2 Ų144.287%0.87281%0.806SS**  trans-85.1124.4163.2-76-29.7000109
318T35.6Very low35Very low110 Ų110144.5 Ų144.568%0.67581%0.808SS**  trans-90.9139.5-179.9-58.70000108.9
319E35.6Very low34.9Very low182 Ų182145.6 Ų145.685%0.8581%0.805SS**  trans73.6111.9155.6-75.1167.4-163.900120.7
320E32.3Very low35Very low169 Ų169146.9 Ų146.979%0.7981%0.811SS**  -160.3106.2127-132.9-178.4179.200109.7
321L39.1Very low35.3Very low182 Ų182146.2 Ų146.295%0.95381%0.807SS**  trans-122.587.2160.4-75.8179.1000107.2
322E34.6Very low35.3Very low165 Ų165145.1 Ų145.177%0.77182%0.815SS**  trans-91.5125.1165.5-71.4-151148.100111.3
323A36.8Very low35.5Very low96 Ų96139.8 Ų139.879%0.79381%0.806SS**  trans43.2106.8138.800000119.3
324E39.2Very low36.1Very low204 Ų204144.2 Ų144.295%0.95382%0.817SS**  trans-109.8122.3140.5-148-169.2163.100110.5
325K38.3Very low36.3Very low205 Ų205138 Ų13889%0.89182%0.817SS**  trans-100.3120.5-178.5176.6-172.7-179.7-176.60108.2
326G32.6Very low36.7Very low78 Ų78138.9 Ų138.980%0.80482%0.817SS**  trans170.7129.2163.800000108.9
327G32.5Very low36.9Very low77 Ų77139 Ų13979%0.79482%0.819SS**  cis143.8121.612.200000106.9
328G31.3Very low37.6Very low72 Ų72135.7 Ų135.774%0.74281%0.814SS**  trans77.2143.1174.700000114.1
329T38.5Very low38.2Very low125 Ų125135.9 Ų135.977%0.76782%0.82SS**  cis-162.7130.423.3-49.20000106.5E331T329-E331 HydrophobicContact CG2-CG 4.18Å; T329-E331 PolarHBondContact O-N 3.47Å
330T43.7Very low38.8Very low144 Ų144138.5 Ų138.588%0.88382%0.822SS**  trans-74.7115.7165.342.80000108.2
331E46.8Very low39.4Very low181 Ų181142.6 Ų142.685%0.84684%0.841SS**  trans-124.8132.2163.1-72.1-165.6147.500110.1T329T329-E331 HydrophobicContact CG2-CG 4.18Å; T329-E331 PolarHBondContact O-N 3.47Å
332D37.9Very low39.4Very low168 Ų168140.7 Ų140.790%0.89884%0.836SS**  trans-66.9154-176.1-70.3-58.2000113.8
333G34.6Very low39.7Very low61 Ų61139.4 Ų139.463%0.62984%0.839SS**  trans101.1104142.600000115.9
334H41Very low39.8Very low188 Ų188141.8 Ų141.887%0.8784%0.842SS**  174.4112.5106.3-9670.9000109.4
335G35.9Very low39.9Very low81 Ų81138.1 Ų138.184%0.83584%0.835SS**  trans-140.478.2169.500000108.8
336C40.9Very low40Very low103 Ų103133.9 Ų133.970%0.69683%0.832SS**  trans-68.5129.6163.4-63.10000108.5
337N38.3Very low40.4Very low164 Ų164137.7 Ų137.788%0.87783%0.833SS**  -172.2120.6117.7-87.8-25.2000111.3
338A44.5Very low41Very low94 Ų94142 Ų14278%0.77784%0.836SS**  trans-80.1143164.800000110.4
339S47Very low41.8Very low114 Ų114147.4 Ų147.480%0.79784%0.844SS**  trans168.7114.6140.1-730000107.7
340R49.6Very low42Very low237 Ų237149.3 Ų149.389%0.89485%0.85SS**  67.5118.9100.2-120.8-179.6173.2168.4-3.1110.1
341E44Very low41.9Very low256 Ų256149.7 Ų149.7100%1.19685%0.847SS**  cis-145.3030-77171.9118.700111.5

Retrieved 341 of 341 residues in 615 ms (Link to these results)