A0A096NMS4_PAPAN Loading...

Family with sequence similarity 219 member B

AlphaFold DB (A0A2K6CVC2), UniProt , Accession A0A096NMS4, Species PAPAN (Papio anubis, Olive baboon), Gene FAM219B, Length 198 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
1M39.2Very low41Very low251 Ų251146.7 Ų146.7100%1.23687%0.869SS**  0136.70-69.6-175.9170.700107.8
2A40.4Very low41.2Very low102 Ų102152.4 Ų152.484%0.84386%0.864SS**  cis-160.1144.1-30.800000104
3T43.8Very low40.8Very low143 Ų143154.3 Ų154.388%0.87787%0.869SS**  trans-68.7148.9176.748.90000112.3
4A50.1Low40.5Very low103 Ų103150.2 Ų150.285%0.85186%0.856SS**  trans-156.9108152.900000112.1
5E41.8Very low40.6Very low177 Ų177148.8 Ų148.883%0.82785%0.851SS**  trans-70150.8152.6-74.1-84.6136.300109.8
6L45.5Very low40.9Very low174 Ų174147.3 Ų147.391%0.91185%0.848SS**  trans-168123134.9-107.6154000114.3
7S36.1Very low40.6Very low111 Ų111142.5 Ų142.578%0.77684%0.839SS**  trans-50.8150166.9177.50000117.4
8G36Very low40.7Very low69 Ų69142.1 Ų142.171%0.71184%0.841SS**  trans114.2122.5135.100000117.3
9R40.9Very low40.6Very low257 Ų257146.9 Ų146.997%0.9784%0.843SS**  167.5142.989.1-149.8168.5-178.3-176.4-0.5111.3
10A35.7Very low41Very low83 Ų83145.3 Ų145.369%0.68684%0.838SS**  trans-74.9157.4-174.500000115
11V41.4Very low40.6Very low144 Ų144144.2 Ų144.287%0.87384%0.839SS**  trans-127.8119.9150.2177.80000109
12R42.9Very low40.4Very low215 Ų215135.7 Ų135.781%0.81182%0.815SS**  trans-85.7147.2169.7-65.6178.7171.3-135.1-0.2108.9
13L37Very low40.2Very low177 Ų177135.5 Ų135.593%0.92781%0.814SS**  trans-132.6140.6146.8-78.2174000109.8
14S36.3Very low40.2Very low97 Ų97139.8 Ų139.868%0.67881%0.814SS**  trans-100.1144.8-156.9-56.70000112.7
15T42.1Very low39.6Very low129 Ų129141.1 Ų141.179%0.79181%0.807SS**  trans-5.2159.7139.839.40000119.6
16P45Very low39.4Very low124 Ų124144.2 Ų144.281%0.80581%0.811SS**  cis-148.7166.649.136.8-13.5000119.9
17G36.8Very low39Very low67 Ų67140.3 Ų140.369%0.69180%0.804SS**  trans-76-167.9170.100000114
18P41Very low39.5Very low134 Ų134141.2 Ų141.287%0.8781%0.807SS**  -145.3170.969.735.4-14.7000116.8
19R39.8Very low39.5Very low235 Ų235141.8 Ų141.889%0.88781%0.813SS**  trans-87.9-165.7165.3-57.7176.5159.8-162.4-5.2109.3
20P48Very low39.7Very low113 Ų113134.8 Ų134.873%0.73481%0.81SS**  cis-143.7-167.2-4.640.6-18.5000115.8
21S32.3Very low40Very low123 Ų123135.7 Ų135.786%0.8682%0.817SS**  trans78.6147.1158.885.30000117
22G36Very low39.9Very low72 Ų72132.2 Ų132.274%0.74281%0.811SS**  cis-169.2169.96.300000109.6
23A36Very low40.4Very low99 Ų99128 Ų12882%0.81881%0.812SS**  trans-60.9157.4-178.900000114.3
24R43.4Very low41Very low232 Ų232125.9 Ų125.988%0.87581%0.808SS**  trans-174.9115.4134.7-100.5166.5178-155.5-2.3113.8
25D37.7Very low41.3Very low132 Ų132127 Ų12771%0.70682%0.816SS**  62.3122.2124.9-59.8-27000124.5
26R36.7Very low41.2Very low242 Ų242124.3 Ų124.391%0.91381%0.814SS**  68.6124.7129.7-80.5-177.6171.7167.2-2122.3
27A37.8Very low41.1Very low91 Ų91127.7 Ų127.775%0.75282%0.819SS**  trans-65.2-166.5157.400000112.9
28P47.7Very low41.7Very low130 Ų130132.4 Ų132.484%0.84483%0.827SS**  cis-128.7179.7-17.937.5-19.4000112.6
29G35.3Very low41.7Very low81 Ų81129 Ų12984%0.83582%0.816SS**  trans179.2111.2167.300000115.5
30A45.3Very low41.7Very low110 Ų110124.8 Ų124.891%0.90981%0.812SS**  trans-83.4141.3175.400000112.1
31A42.6Very low41.6Very low102 Ų102130.2 Ų130.284%0.84382%0.817SS**  trans-162.1107.5158.200000112.3
32G38.4Very low42Very low72 Ų72128 Ų12874%0.74281%0.807SS**  trans64.7129.213800000121.9
33P53.8Low42.7Very low127 Ų127131.6 Ų131.683%0.82581%0.808SS**PPolyproline II helixtrans-83.1137.9158.333-28.9000110.6S35P33-S35 PolarHBondContact O-N 3.07Å
34P48.2Very low43Very low131 Ų131137.9 Ų137.985%0.85181%0.81SS**PPolyproline II helixtrans-78.3124.4166.728.8-29.5000110.9
35S42.6Very low43.1Very low121 Ų121135.7 Ų135.785%0.84682%0.815SS**PPolyproline II helixtrans-50.1140.3165.3-177.50000113.5P33P33-S35 PolarHBondContact O-N 3.07Å
36G41.9Very low43.6Very low73 Ų73132 Ų13275%0.75381%0.809SS**  trans6795.2140.300000117.9
37Q41.4Very low44Very low194 Ų194128.9 Ų128.991%0.90780%0.804SS**  trans-124.4107.1149.2-154.2169.834.900109.5G39Q37-G39 PolarHBondContact O-N 2.85Å
38I49.9Very low44.4Very low166 Ų166136.5 Ų136.585%0.85181%0.813SS**  trans-59.2102.5168.4-64.8175.1000106.7
39G40.1Very low44.7Very low63 Ų63134.9 Ų134.965%0.64980%0.802SS**  trans-110.694.1173.700000109.3Q37Q37-G39 PolarHBondContact O-N 2.85Å
40N41.4Very low45.5Very low147 Ų147136.8 Ų136.879%0.78680%0.799SS**  trans22.4102.6145.2-53.3-35.8000115.5A42N40-A42 PolarHBondContact O-N 3.28Å
41R44.8Very low45.9Very low227 Ų227134.8 Ų134.886%0.85778%0.783SS**  trans-54.777.8168.1-172.1-175-173.4-145.53.8110.8L43R41-L43 PolarHBondContact O-N 3.19Å
42A40.2Very low46.8Very low77 Ų77132.9 Ų132.964%0.63677%0.767SS**  trans-69.5113.2156.900000106.2N40 R44N40-A42 PolarHBondContact O-N 3.28Å; A42-R44 VanDerWaalsContact C-N 3.29Å; A42-R44 PolarHBondContact O-N 3.38Å
43L52.1Low47.9Very low146 Ų146132 Ų13276%0.76475%0.747SS**  trans-56.192175.1-69.2166.3000109.4R41 L45R41-L43 PolarHBondContact O-N 3.19Å; L43-L45 VanDerWaalsContact C-N 3.27Å; L43-L45 PolarHBondContact O-N 3.31Å
44R42Very low48.4Very low231 Ų231129.7 Ų129.787%0.87273%0.725SS**  trans-75.489.4163.3-68.3-86.1175.2165.6-3.8105.8A42 G46A42-R44 VanDerWaalsContact C-N 3.29Å; A42-R44 PolarHBondContact O-N 3.38Å; R44-G46 PolarHBondContact O-N 3.21Å
45L45.1Very low49.7Very low187 Ų187131.5 Ų131.598%0.97972%0.72SS**  trans-65.579158.5-179.763.2000107.1L43L43-L45 VanDerWaalsContact C-N 3.27Å; L43-L45 PolarHBondContact O-N 3.31Å
46G49.1Very low51.2Low55 Ų55133.3 Ų133.357%0.56771%0.708SS**  trans-130.9137.8175.300000108R44R44-G46 PolarHBondContact O-N 3.21Å
47E43.9Very low52.8Low176 Ų176131.8 Ų131.882%0.82269%0.692SS**  trans82.164.5179.3-59.5-171.5110.300116.6T49E47-T49 PolarHBondContact O-N 3.49Å
48R46.2Very low54.4Low250 Ų250129.7 Ų129.794%0.94370%0.695SS**  trans-81.586.5131.5-101.8-175.6173.3163.6-0.7107.8P50R48-P50 WeakPolarHBondContact O-CD 3.5Å
49T54.6Low55.5Low97 Ų97129.5 Ų129.560%0.59569%0.685SS**  trans-52.6124.3151.541.30000106.7E47 A51E47-T49 PolarHBondContact O-N 3.49Å; T49-A51 PolarHBondContact O-N 2.88Å
50P51.2Low57.4Low121 Ų121132.4 Ų132.479%0.78668%0.683SS**  trans-71.595.4164.629.1-27.5000104.1R48 A52R48-P50 WeakPolarHBondContact O-CD 3.5Å; P50-A52 PolarHBondContact O-N 3.13Å
51A54.9Low59.1Low68 Ų68128.6 Ų128.656%0.56267%0.665SS**  trans-54.496.3164.900000106T49 V53T49-A51 PolarHBondContact O-N 2.88Å; A51-V53 PolarHBondContact O-N 3.08Å
52A61.7Low60.6Low62 Ų62122.8 Ų122.851%0.51266%0.655SS.*SBendtrans-62.9-9177.600000110.9P50 T62 R63P50-A52 PolarHBondContact O-N 3.13Å; A52-T62 CarbonylContact O-C 3.6Å; A52-T62 WeakPolarHBondContact O-CA 3.32Å; A52-T62 WeakPolarHBondContact O-CG2 3.43Å; A52-R63 PolarHBondContact O-N 2.94Å
53V60Low62.2Low54 Ų54127.6 Ų127.633%0.32766%0.657SS.*EExtended strand (participates in β ladder)trans-128.9116.8176.6179.10000107.2A51 M60 V61 T62A51-V53 PolarHBondContact O-N 3.08Å; V53-M60 HydrophobicContact CG1-CB 3.45Å; V53-M60 VanDerWaalsContact CG1-CB 3.45Å; V53-M60 HydrophobicContact CG1-CE 4.44Å; V53-M60 HydrophobicContact CG1-CG 3.91Å; V53-M60 HydrophobicContact CG1-SD 3.9Å; V53-V61 CarbonylContact C-O 3.36Å; V53-V61 WeakPolarHBondContact CA-O 3.5Å; V53-T62 HydrophobicContact CG2-CG2 4.36Å
54E65.3Low63.4Low77 Ų77124.6 Ų124.636%0.3665%0.653SS.*EExtended strand (participates in β ladder)trans-98130.8174.9-167.3-178.4177.600108.2R56 V61E54-R56 VanDerWaalsContact CD-NE 3.32Å; E54-R56 PolarHBondContact O-N 2.95Å; E54-R56 VanDerWaalsContact O-N 3.07Å; E54-R56 IonicContact OE1-CZ 3.33Å; E54-R56 IonicContact OE1-NE 3.42Å; E54-R56 PolarHBondContact OE1-NE 2.99Å; E54-R56 IonicContact OE1-NH2 2.9Å; E54-R56 PolarHBondContact OE1-NH2 3.05Å; E54-R56 IonicContact OE2-CZ 3.42Å; E54-R56 IonicContact OE2-NE 3.21Å; E54-R56 PolarHBondContact OE2-NE 3.05Å; E54-R56 IonicContact OE2-NH2 2.81Å; E54-R56 PolarHBondContact OE2-NH2 2.62Å; E54-V61 PolarHBondContact N-O 3.49Å; E54-V61 PolarHBondContact O-N 3.41Å
55K74.4Confident65.2Low169 Ų169116.7 Ų116.774%0.73563%0.632SS**EExtended strand (participates in β ladder)trans-72.4102.7175.4-175-168.3176-1730108.7G57K55-G57 WeakPolarHBondContact CE-O 3.5Å; K55-G57 WeakPolarHBondContact CG-O 3.38Å
56R74.7Confident67.1Low160 Ų160110.9 Ų110.960%0.60461%0.607SS**EExtended strand (participates in β ladder)trans-100.781.2172.4-66.6-70.7177.6164-6.7107.7E54 Y59 V61E54-R56 VanDerWaalsContact CD-NE 3.32Å; E54-R56 PolarHBondContact O-N 2.95Å; E54-R56 VanDerWaalsContact O-N 3.07Å; E54-R56 IonicContact OE1-CZ 3.33Å; E54-R56 IonicContact OE1-NE 3.42Å; E54-R56 PolarHBondContact OE1-NE 2.99Å; E54-R56 IonicContact OE1-NH2 2.9Å; E54-R56 PolarHBondContact OE1-NH2 3.05Å; E54-R56 IonicContact OE2-CZ 3.42Å; E54-R56 IonicContact OE2-NE 3.21Å; E54-R56 PolarHBondContact OE2-NE 3.05Å; E54-R56 IonicContact OE2-NH2 2.81Å; E54-R56 PolarHBondContact OE2-NH2 2.62Å; R56-Y59 CarbonylContact C-O 3.46Å; R56-Y59 PolarHBondContact N-O 2.91Å; R56-Y59 VanDerWaalsContact N-O 3.09Å; R56-V61 HydrophobicContact CB-CG2 4.09Å; R56-V61 HydrophobicContact CG-CB 4.47Å; R56-V61 HydrophobicContact CG-CG2 4.31Å
57G75.7Confident69Low41 Ų41114.8 Ų114.842%0.42361%0.613SS.*THydrogen-bonded Turntrans75.7-141.5179.600000113.6K55 Y59K55-G57 WeakPolarHBondContact CE-O 3.5Å; K55-G57 WeakPolarHBondContact CG-O 3.38Å; G57-Y59 PolarHBondContact O-N 3.14Å; G57-Y59 VanDerWaalsContact O-N 3.12Å
58P76Confident71.3Confident150 Ų150113.9 Ų113.997%0.97461%0.609SS**THydrogen-bonded Turntrans-64.8-9.7-179.5-18.730.9000114.5
59Y71.4Confident73.4Confident162 Ų162103.6 Ų103.664%0.63558%0.578SS**EExtended strand (participates in β ladder)trans-123.3153.7-177.5-177.1-102.9000112.2R56 G57 V61R56-Y59 CarbonylContact C-O 3.46Å; R56-Y59 PolarHBondContact N-O 2.91Å; R56-Y59 VanDerWaalsContact N-O 3.09Å; G57-Y59 PolarHBondContact O-N 3.14Å; G57-Y59 VanDerWaalsContact O-N 3.12Å; Y59-V61 HydrophobicContact CD1-CG2 3.79Å; Y59-V61 HydrophobicContact CE1-CG2 4.04Å
60M80.1Confident75.3Confident124 Ų124104.5 Ų104.561%0.61157%0.573SS**EExtended strand (participates in β ladder)trans-100.8114.2179.7-83-159.7-43.500109.9V53V53-M60 HydrophobicContact CG1-CB 3.45Å; V53-M60 VanDerWaalsContact CG1-CB 3.45Å; V53-M60 HydrophobicContact CG1-CE 4.44Å; V53-M60 HydrophobicContact CG1-CG 3.91Å; V53-M60 HydrophobicContact CG1-SD 3.9Å
61V76.9Confident77.4Confident67 Ų67102.9 Ų102.941%0.40656%0.558SS.*EExtended strand (participates in β ladder)trans-99.6124.2180-179.50000109.7V53 E54 R56 Y59 R63V53-V61 CarbonylContact C-O 3.36Å; V53-V61 WeakPolarHBondContact CA-O 3.5Å; E54-V61 PolarHBondContact N-O 3.49Å; E54-V61 PolarHBondContact O-N 3.41Å; R56-V61 HydrophobicContact CB-CG2 4.09Å; R56-V61 HydrophobicContact CG-CB 4.47Å; R56-V61 HydrophobicContact CG-CG2 4.31Å; Y59-V61 HydrophobicContact CD1-CG2 3.79Å; Y59-V61 HydrophobicContact CE1-CG2 4.04Å; V61-R63 PolarHBondContact O-N 3.34Å
62T77.5Confident79.3Confident104 Ų104103.8 Ų103.864%0.63855%0.55SS**EExtended strand (participates in β ladder)trans-70.4118172.2-46.80000109.6A52 V53A52-T62 CarbonylContact O-C 3.6Å; A52-T62 WeakPolarHBondContact O-CA 3.32Å; A52-T62 WeakPolarHBondContact O-CG2 3.43Å; V53-T62 HydrophobicContact CG2-CG2 4.36Å
63R74.3Confident80.9Confident178 Ų178107.3 Ų107.367%0.67255%0.554SS**PPolyproline II helixtrans-79.7134.3177.4-167.5177.3179.9-174.81.5109.2A52 V61A52-R63 PolarHBondContact O-N 2.94Å; V61-R63 PolarHBondContact O-N 3.34Å
64A77.6Confident82.6Confident83 Ų83111 Ų11169%0.68657%0.567SS**PPolyproline II helixtrans-55.3135.8174.100000110.3S66A64-S66 PolarHBondContact O-N 2.86Å
65P78.4Confident84.1Confident66 Ų66114 Ų11443%0.42958%0.575SS.*PPolyproline II helixtrans-61.3129.8-178.621.9-30.5000109.9A69 K70P65-A69 HydrophobicContact CB-CB 4.36Å; P65-K70 HydrophobicContact CB-CG 4.43Å
66S86.3Confident85Confident65 Ų65109.5 Ų109.546%0.45556%0.559SS.*PPolyproline II helixtrans-61.1157.5178.869.40000111.1A64 Q68 A69 K70A64-S66 PolarHBondContact O-N 2.86Å; S66-Q68 PolarHBondContact O-N 3.42Å; S66-A69 WeakPolarHBondContact O-CA 3.34Å; S66-A69 WeakPolarHBondContact O-CB 2.93Å; S66-A69 PolarHBondContact O-N 3.39Å; S66-A69 WeakPolarHBondContact OG-CB 3.13Å; S66-A69 PolarHBondContact OG-N 2.93Å; S66-A69 VanDerWaalsContact OG-N 3.13Å; S66-K70 PolarHBondContact O-N 3.36Å
67I88.5Confident86Confident137 Ų137107 Ų10770%0.70356%0.557SS**Hα-helixtrans-54-42.1175.5-61.6171.7000110.1A69 K70 L71I67-A69 PolarHBondContact O-N 3.13Å; I67-K70 PolarHBondContact O-N 3.28Å; I67-L71 HydrophobicContact CG2-CD1 4.19Å; I67-L71 HydrophobicContact CG2-CG 4.45Å; I67-L71 WeakPolarHBondContact O-CG 3.29Å; I67-L71 PolarHBondContact O-N 3.02Å
68Q92.3Very high86.8Confident156 Ų156107.4 Ų107.473%0.72956%0.557SS**Hα-helixtrans-60.6-42.7175-66.5179.5-13.700112.6S66 K70 L71 Q72S66-Q68 PolarHBondContact O-N 3.42Å; Q68-K70 VanDerWaalsContact C-N 3.35Å; Q68-K70 PolarHBondContact O-N 3.38Å; Q68-L71 PolarHBondContact O-N 2.82Å; Q68-Q72 WeakPolarHBondContact O-CB 3.24Å; Q68-Q72 PolarHBondContact O-N 3.32Å
69A90.6Very high87.6Confident35 Ų35105.7 Ų105.729%0.28953%0.534SS..Hα-helixtrans-66-36.9176.900000112.1P65 S66 I67 K73P65-A69 HydrophobicContact CB-CB 4.36Å; S66-A69 WeakPolarHBondContact O-CA 3.34Å; S66-A69 WeakPolarHBondContact O-CB 2.93Å; S66-A69 PolarHBondContact O-N 3.39Å; S66-A69 WeakPolarHBondContact OG-CB 3.13Å; S66-A69 PolarHBondContact OG-N 2.93Å; S66-A69 VanDerWaalsContact OG-N 3.13Å; I67-A69 PolarHBondContact O-N 3.13Å; A69-K73 VanDerWaalsContact O-CG 3.28Å; A69-K73 WeakPolarHBondContact O-CG 3.29Å; A69-K73 PolarHBondContact O-N 3.45Å; A69-K73 VanDerWaalsContact O-N 3.09Å
70K93.8Very high88.5Confident116 Ų116100.3 Ų100.350%0.50452%0.523SS..Hα-helixtrans-63.9-48.8172.8-67.8-177.2-178-179.40110.8P65 S66 I67 Q68 Q72 K73 H74P65-K70 HydrophobicContact CB-CG 4.43Å; S66-K70 PolarHBondContact O-N 3.36Å; I67-K70 PolarHBondContact O-N 3.28Å; Q68-K70 VanDerWaalsContact C-N 3.35Å; Q68-K70 PolarHBondContact O-N 3.38Å; K70-Q72 VanDerWaalsContact C-N 3.33Å; K70-Q72 PolarHBondContact O-N 2.87Å; K70-K73 WeakPolarHBondContact O-CB 3.46Å; K70-K73 PolarHBondContact O-N 2.87Å; K70-H74 PolarHBondContact O-CD2 2.78Å; K70-H74 PolarHBondContact O-N 2.87Å
71L95.8Very high89.1Confident87 Ų8797.6 Ų97.646%0.45551%0.513SS..Hα-helixtrans-60.1-42.2178.1-69.2175.1000112.3I67 Q68 H74 R75I67-L71 HydrophobicContact CG2-CD1 4.19Å; I67-L71 HydrophobicContact CG2-CG 4.45Å; I67-L71 WeakPolarHBondContact O-CG 3.29Å; I67-L71 PolarHBondContact O-N 3.02Å; Q68-L71 PolarHBondContact O-N 2.82Å; L71-H74 PolarHBondContact O-N 3.36Å; L71-R75 WeakPolarHBondContact O-CG 3.14Å; L71-R75 PolarHBondContact O-N 3.48Å
72Q93.8Very high89.5Confident87 Ų8797.2 Ų97.241%0.40751%0.508SS..Hα-helixtrans-61.1-45176.4-173.658.435.700111.5Q68 K70 H74 R75 D76Q68-Q72 WeakPolarHBondContact O-CB 3.24Å; Q68-Q72 PolarHBondContact O-N 3.32Å; K70-Q72 VanDerWaalsContact C-N 3.33Å; K70-Q72 PolarHBondContact O-N 2.87Å; Q72-H74 VanDerWaalsContact C-N 3.34Å; Q72-H74 PolarHBondContact O-N 3.39Å; Q72-R75 WeakPolarHBondContact O-CB 3.21Å; Q72-R75 PolarHBondContact O-N 3.33Å; Q72-D76 PolarHBondContact NE2-OD1 3.04Å; Q72-D76 PolarHBondContact NE2-OD2 2.75Å; Q72-D76 VanDerWaalsContact O-CG 3.28Å; Q72-D76 PolarHBondContact O-N 3.35Å
73K95.6Very high89.9Confident136 Ų13698.8 Ų98.859%0.59150%0.502SS*.Hα-helixtrans-58.7-42.8175.5-74.1175.8-179.7-171.60112.7A69 K70 D76 L77A69-K73 VanDerWaalsContact O-CG 3.28Å; A69-K73 WeakPolarHBondContact O-CG 3.29Å; A69-K73 PolarHBondContact O-N 3.45Å; A69-K73 VanDerWaalsContact O-N 3.09Å; K70-K73 WeakPolarHBondContact O-CB 3.46Å; K70-K73 PolarHBondContact O-N 2.87Å; K73-D76 PolarHBondContact O-N 2.75Å; K73-L77 WeakPolarHBondContact O-CB 3.42Å; K73-L77 PolarHBondContact O-N 2.89Å
74H96.1Very high90.4Very high132 Ų132100.1 Ų100.161%0.61151%0.508SS*.Hα-helixtrans-64.7-40.5176.7-78.4-78.8000112.1K70 L71 Q72 L77 A78K70-H74 PolarHBondContact O-CD2 2.78Å; K70-H74 PolarHBondContact O-N 2.87Å; L71-H74 PolarHBondContact O-N 3.36Å; Q72-H74 VanDerWaalsContact C-N 3.34Å; Q72-H74 PolarHBondContact O-N 3.39Å; H74-L77 PolarHBondContact O-N 2.62Å; H74-A78 WeakPolarHBondContact O-CB 3.41Å; H74-A78 PolarHBondContact O-N 3.35Å
75R95.7Very high90.7Very high140 Ų140103.9 Ų103.953%0.52851%0.508SS..Hα-helixtrans-60.9-44.5174.4-71.9176175.8121.80.8111.7L71 Q72 A78 K79L71-R75 WeakPolarHBondContact O-CG 3.14Å; L71-R75 PolarHBondContact O-N 3.48Å; Q72-R75 WeakPolarHBondContact O-CB 3.21Å; Q72-R75 PolarHBondContact O-N 3.33Å; R75-A78 PolarHBondContact O-N 2.5Å; R75-K79 WeakPolarHBondContact O-CB 3.34Å; R75-K79 VanDerWaalsContact O-CG 3.29Å; R75-K79 WeakPolarHBondContact O-CG 3.09Å; R75-K79 PolarHBondContact O-N 2.75Å
76D94.4Very high90.6Very high73 Ų73103.1 Ų103.139%0.3951%0.513SS..Hα-helixtrans-70.8-37.3-178.3-64.2-27000111.7Q72 K73 K79 A80Q72-D76 PolarHBondContact NE2-OD1 3.04Å; Q72-D76 PolarHBondContact NE2-OD2 2.75Å; Q72-D76 VanDerWaalsContact O-CG 3.28Å; Q72-D76 PolarHBondContact O-N 3.35Å; K73-D76 PolarHBondContact O-N 2.75Å; D76-K79 PolarHBondContact O-N 2.94Å; D76-A80 WeakPolarHBondContact O-CB 3.06Å; D76-A80 PolarHBondContact O-N 2.95Å
77L95.3Very high89.8Confident107 Ų107106.2 Ų106.256%0.5652%0.522SS*.Hα-helixtrans-62.5-46.5172179.461.4000111.6K73 H74 K79 A80 V81K73-L77 WeakPolarHBondContact O-CB 3.42Å; K73-L77 PolarHBondContact O-N 2.89Å; H74-L77 PolarHBondContact O-N 2.62Å; L77-K79 VanDerWaalsContact C-N 3.35Å; L77-K79 PolarHBondContact O-N 2.67Å; L77-A80 PolarHBondContact O-N 3.19Å; L77-V81 HydrophobicContact CD1-CG2 4.41Å; L77-V81 WeakPolarHBondContact O-CG2 3.06Å; L77-V81 PolarHBondContact O-N 3.24Å
78A93.7Very high88.5Confident50 Ų50102.7 Ų102.741%0.41350%0.504SS..Hα-helixtrans-60.1-46176.800000111.1H74 R75 A80 V81 L82H74-A78 WeakPolarHBondContact O-CB 3.41Å; H74-A78 PolarHBondContact O-N 3.35Å; R75-A78 PolarHBondContact O-N 2.5Å; A78-A80 VanDerWaalsContact C-N 3.35Å; A78-A80 PolarHBondContact O-N 2.76Å; A78-V81 PolarHBondContact O-N 3.14Å; A78-L82 WeakPolarHBondContact O-CD1 3.16Å; A78-L82 PolarHBondContact O-N 3.19Å
79K91.6Very high86.9Confident115 Ų11597.8 Ų97.850%0.550%0.495SS..Hα-helixtrans-57.6-46.6173.8-74.1172.6-177.2175.90111.4R75 D76 L77 V81 L82 R83 L88R75-K79 WeakPolarHBondContact O-CB 3.34Å; R75-K79 VanDerWaalsContact O-CG 3.29Å; R75-K79 WeakPolarHBondContact O-CG 3.09Å; R75-K79 PolarHBondContact O-N 2.75Å; D76-K79 PolarHBondContact O-N 2.94Å; L77-K79 VanDerWaalsContact C-N 3.35Å; L77-K79 PolarHBondContact O-N 2.67Å; K79-V81 VanDerWaalsContact C-N 3.35Å; K79-V81 PolarHBondContact O-N 3.12Å; K79-L82 PolarHBondContact O-N 2.92Å; K79-R83 WeakPolarHBondContact O-CB 3.21Å; K79-R83 WeakPolarHBondContact O-CG 3.23Å; K79-R83 PolarHBondContact O-N 2.83Å; K79-L88 HydrophobicContact CB-CD1 4.47Å; K79-L88 HydrophobicContact CG-CD1 4.4Å
80A91.1Very high85.2Confident48 Ų48100 Ų10040%0.39751%0.513SS..Hα-helixtrans-62.5-40179.300000112.4D76 L77 A78 R83 R84D76-A80 WeakPolarHBondContact O-CB 3.06Å; D76-A80 PolarHBondContact O-N 2.95Å; L77-A80 PolarHBondContact O-N 3.19Å; A78-A80 VanDerWaalsContact C-N 3.35Å; A78-A80 PolarHBondContact O-N 2.76Å; A80-R83 PolarHBondContact O-N 3.04Å; A80-R84 WeakPolarHBondContact O-CG 3.26Å; A80-R84 PolarHBondContact O-N 2.88Å
81V92Very high83.2Confident67 Ų6798 Ų9841%0.40651%0.514SS..Hα-helixtrans-63.6-49175171.30000110.9L77 A78 K79 R83 R84 K85L77-V81 HydrophobicContact CD1-CG2 4.41Å; L77-V81 WeakPolarHBondContact O-CG2 3.06Å; L77-V81 PolarHBondContact O-N 3.24Å; A78-V81 PolarHBondContact O-N 3.14Å; K79-V81 VanDerWaalsContact C-N 3.35Å; K79-V81 PolarHBondContact O-N 3.12Å; V81-R83 VanDerWaalsContact C-N 3.28Å; V81-R83 PolarHBondContact O-N 3.25Å; V81-R84 PolarHBondContact O-N 2.79Å; V81-K85 WeakPolarHBondContact O-CB 3.31Å; V81-K85 PolarHBondContact O-N 3.5Å
82L85.5Confident81.2Confident59 Ų59100.1 Ų100.131%0.30953%0.533SS..Hα-helixtrans-64.2-32.3177.4-91.1102.3000112.7A78 K79 K85 G86 M87 L88A78-L82 WeakPolarHBondContact O-CD1 3.16Å; A78-L82 PolarHBondContact O-N 3.19Å; K79-L82 PolarHBondContact O-N 2.92Å; L82-K85 CarbonylContact O-C 3.55Å; L82-K85 PolarHBondContact O-N 3.11Å; L82-G86 PolarHBondContact O-N 3.17Å; L82-M87 HydrophobicContact CB-CB 4.46Å; L82-M87 HydrophobicContact CD2-CB 3.98Å; L82-M87 HydrophobicContact CD2-CE 4.09Å; L82-M87 HydrophobicContact CD2-SD 4.32Å; L82-M87 HydrophobicContact CG-CB 4.42Å; L82-M87 HydrophobicContact CG-SD 4.43Å; L82-M87 PolarHBondContact O-N 3.39Å; L82-L88 HydrophobicContact CB-CB 4.12Å; L82-L88 HydrophobicContact CB-CD1 3.32Å; L82-L88 HydrophobicContact CB-CG 3.63Å; L82-L88 HydrophobicContact CD2-CD1 3.9Å; L82-L88 HydrophobicContact CD2-CG 3.72Å; L82-L88 HydrophobicContact CG-CD1 4.1Å; L82-L88 HydrophobicContact CG-CG 4.29Å; L82-L88 PolarHBondContact O-N 3.11Å
83R86.6Confident78.8Confident137 Ų137101.9 Ų101.952%0.51755%0.545SS..Hα-helixtrans-65.7-45.8173.1-70.3-76.5159-172.1-11.9111.4K79 A80 V81 K85 G86 L88 G89K79-R83 WeakPolarHBondContact O-CB 3.21Å; K79-R83 WeakPolarHBondContact O-CG 3.23Å; K79-R83 PolarHBondContact O-N 2.83Å; A80-R83 PolarHBondContact O-N 3.04Å; V81-R83 VanDerWaalsContact C-N 3.28Å; V81-R83 PolarHBondContact O-N 3.25Å; R83-K85 VanDerWaalsContact C-N 3.26Å; R83-K85 PolarHBondContact O-N 3.28Å; R83-G86 PolarHBondContact O-N 2.78Å; R83-L88 HydrophobicContact CG-CB 4.2Å; R83-L88 PolarHBondContact NH1-O 3.23Å; R83-L88 VanDerWaalsContact NH2-C 3.3Å; R83-L88 PolarHBondContact NH2-O 3.37Å; R83-G89 VanDerWaalsContact NH1-CA 3.25Å
84R84.8Confident76.7Confident207 Ų207105 Ų10578%0.78155%0.554SS**Hα-helixtrans-62.8-32.3173.5-72.7-166.6-63.2161.7-1.1112.7A80 V81 G86A80-R84 WeakPolarHBondContact O-CG 3.26Å; A80-R84 PolarHBondContact O-N 2.88Å; V81-R84 PolarHBondContact O-N 2.79Å; R84-G86 PolarHBondContact O-N 2.9Å
85K82Confident74.7Confident161 Ų161104.6 Ų104.670%0.756%0.562SS**THydrogen-bonded Turntrans-77.5-1.8174.9-162.365172.7-170.50113V81 L82 R83 M87V81-K85 WeakPolarHBondContact O-CB 3.31Å; V81-K85 PolarHBondContact O-N 3.5Å; L82-K85 CarbonylContact O-C 3.55Å; L82-K85 PolarHBondContact O-N 3.11Å; R83-K85 VanDerWaalsContact C-N 3.26Å; R83-K85 PolarHBondContact O-N 3.28Å; K85-M87 HydrophobicContact CB-CG 4.19Å; K85-M87 HydrophobicContact CB-SD 4.26Å; K85-M87 HydrophobicContact CG-CG 3.94Å; K85-M87 HydrophobicContact CG-SD 3.75Å; K85-M87 PolarHBondContact O-N 3.38Å
86G77.8Confident72.4Confident51 Ų51104.9 Ų104.953%0.52657%0.574SS.*THydrogen-bonded Turntrans73.7-1.1-178.800000114.8L82 R83 R84L82-G86 PolarHBondContact O-N 3.17Å; R83-G86 PolarHBondContact O-N 2.78Å; R84-G86 PolarHBondContact O-N 2.9Å
87M69.3Low70.8Confident129 Ų129106.8 Ų106.864%0.63559%0.594SS**SBendtrans-75.9-32.4-172.8-67.2175.766.700113.4L82 K85L82-M87 HydrophobicContact CB-CB 4.46Å; L82-M87 HydrophobicContact CD2-CB 3.98Å; L82-M87 HydrophobicContact CD2-CE 4.09Å; L82-M87 HydrophobicContact CD2-SD 4.32Å; L82-M87 HydrophobicContact CG-CB 4.42Å; L82-M87 HydrophobicContact CG-SD 4.43Å; L82-M87 PolarHBondContact O-N 3.39Å; K85-M87 HydrophobicContact CB-CG 4.19Å; K85-M87 HydrophobicContact CB-SD 4.26Å; K85-M87 HydrophobicContact CG-CG 3.94Å; K85-M87 HydrophobicContact CG-SD 3.75Å; K85-M87 PolarHBondContact O-N 3.38Å
88L61Low69Low64 Ų64106.2 Ų106.234%0.33560%0.598SS.*SBendtrans-93.3-15.1179.7-84.2176000111.4K79 L82 R83 A90K79-L88 HydrophobicContact CB-CD1 4.47Å; K79-L88 HydrophobicContact CG-CD1 4.4Å; L82-L88 HydrophobicContact CB-CB 4.12Å; L82-L88 HydrophobicContact CB-CD1 3.32Å; L82-L88 HydrophobicContact CB-CG 3.63Å; L82-L88 HydrophobicContact CD2-CD1 3.9Å; L82-L88 HydrophobicContact CD2-CG 3.72Å; L82-L88 HydrophobicContact CG-CD1 4.1Å; L82-L88 HydrophobicContact CG-CG 4.29Å; L82-L88 PolarHBondContact O-N 3.11Å; R83-L88 HydrophobicContact CG-CB 4.2Å; R83-L88 PolarHBondContact NH1-O 3.23Å; R83-L88 VanDerWaalsContact NH2-C 3.3Å; R83-L88 PolarHBondContact NH2-O 3.37Å; L88-A90 PolarHBondContact O-N 3.21Å
89G59.5Low67.1Low53 Ų53107.2 Ų107.255%0.54661%0.613SS.*  trans-66.3-18.6-17500000117.9R83R83-G89 VanDerWaalsContact NH1-CA 3.25Å
90A53.2Low65.6Low81 Ų81110.8 Ų110.867%0.66963%0.629SS**SBendtrans-89.8125.8-174.200000111L88L88-A90 PolarHBondContact O-N 3.21Å
91S52.8Low64.3Low73 Ų73119.3 Ų119.351%0.5165%0.651SS.*  trans-39.3151.3157.1177.50000110.9N93S91-N93 PolarHBondContact O-N 3.03Å; S91-N93 PolarHBondContact OG-ND2 2.97Å; S91-N93 VanDerWaalsContact OG-ND2 3.09Å
92P53Low63Low133 Ų133121.6 Ų121.686%0.86467%0.67SS**SBendtrans-7168.4168.233.5-34.1000108.3
93N44.3Very low62.2Low124 Ų124124.6 Ų124.666%0.66369%0.691SS**  trans-134104173.1-93.3-75.6000106S91S91-N93 PolarHBondContact O-N 3.03Å; S91-N93 PolarHBondContact OG-ND2 2.97Å; S91-N93 VanDerWaalsContact OG-ND2 3.09Å
94R51.6Low61.8Low202 Ų202127.2 Ų127.276%0.76271%0.705SS**  trans59115.5146.8-155.2-179.8-177.1169.31.7114.7D96R94-D96 PolarHBondContact O-N 3.39Å
95P53.8Low61.1Low122 Ų122123.6 Ų123.679%0.79270%0.696SS**  trans-60.1107.6164.926.5-30.1000106.8S97P95-S97 VanDerWaalsContact C-N 3.25Å; P95-S97 PolarHBondContact O-N 3.2Å
96D47.2Very low61Low146 Ų146121.7 Ų121.778%0.78169%0.693SS**  trans-60.598.3170.7-79.4-40000106.7R94 S98R94-D96 PolarHBondContact O-N 3.39Å; D96-S98 PolarHBondContact O-N 2.83Å
97S61.3Low61.2Low114 Ų114129.6 Ų129.680%0.79771%0.713SS**SBendtrans-65.373171.758.40000108.9P95P95-S97 VanDerWaalsContact C-N 3.25Å; P95-S97 PolarHBondContact O-N 3.2Å
98S56.8Low61.6Low94 Ų94126.8 Ų126.866%0.65772%0.718SS**  trans-158.733.8172.7-172.70000112.8D96 K100D96-S98 PolarHBondContact O-N 2.83Å; S98-K100 PolarHBondContact O-N 3.04Å
99G54.2Low62Low71 Ų71132.2 Ų132.273%0.73274%0.735SS**  trans-84.266.3161.300000110.4R101G99-R101 PolarHBondContact O-N 2.91Å
100K60.4Low62.7Low190 Ų190135.3 Ų135.383%0.82674%0.743SS**  trans-67.876.9174-61.3-154.8-177.4-170.80109.9S98 S102S98-K100 PolarHBondContact O-N 3.04Å; K100-S102 PolarHBondContact O-N 3.5Å
101R62.8Low63.6Low227 Ų227135.7 Ų135.786%0.85775%0.747SS**  trans-72.490.2156.9-66.3-171.5-63.2-160.70.5105.4G99 V103G99-R101 PolarHBondContact O-N 2.91Å; R101-V103 VanDerWaalsContact C-N 3.27Å; R101-V103 PolarHBondContact O-N 3.43Å
102S65Low64.5Low115 Ų115139.5 Ų139.580%0.80476%0.76SS**  trans-67.692.2173.557.20000108.2K100 K104K100-S102 PolarHBondContact O-N 3.5Å; S102-K104 PolarHBondContact O-N 3.43Å
103V69.1Low65.4Low123 Ų123138.1 Ų138.175%0.74575%0.754SS**  trans-72118.8168.3179.60000106.5R101 F105R101-V103 VanDerWaalsContact C-N 3.27Å; R101-V103 PolarHBondContact O-N 3.43Å; V103-F105 PolarHBondContact O-N 3.43Å
104K77.4Confident66.5Low191 Ų191141.1 Ų141.183%0.8376%0.764SS**  trans-67.9104.9174.6-178.6-177.4175.9-175.50107.7S102S102-K104 PolarHBondContact O-N 3.43Å
105F71.1Confident67.4Low131 Ų131134 Ų13458%0.57575%0.745SS**  trans-69.9140.2172.360.8-94.4000109.6V103 Y109V103-F105 PolarHBondContact O-N 3.43Å; F105-Y109 WeakPolarHBondContact CB-O 3.43Å; F105-Y109 WeakPolarHBondContact CD2-O 3.21Å; F105-Y109 VanDerWaalsContact CG-O 3.24Å; F105-Y109 WeakPolarHBondContact CG-O 3.37Å
106N78.8Confident67.9Low122 Ų122134 Ų13465%0.65275%0.745SS**  trans-67.1147.2172.1-71.7-61.2000109.6G108 Y109N106-G108 PolarHBondContact O-N 3.27Å; N106-G108 VanDerWaalsContact O-N 3.07Å; N106-Y109 HydrophobicContact CB-CD2 4.39Å; N106-Y109 PolarHBondContact O-N 2.95Å
107K81.6Confident68.6Low216 Ų216134 Ų13494%0.93975%0.745SS**THydrogen-bonded Turntrans-58.9115.5-177.2-162.7139.7178.4176.50109.4
108G77.9Confident68.9Low71 Ų71133.2 Ų133.273%0.73273%0.729SS**THydrogen-bonded Turntrans117.2-13.9-175.400000115.1N106N106-G108 PolarHBondContact O-N 3.27Å; N106-G108 VanDerWaalsContact O-N 3.07Å
109Y69.6Low69.3Low178 Ų178133.9 Ų133.970%0.69873%0.725SS**  trans-108.5108.1175.8-70.3-86.3000110.4F105 N106F105-Y109 WeakPolarHBondContact CB-O 3.43Å; F105-Y109 WeakPolarHBondContact CD2-O 3.21Å; F105-Y109 VanDerWaalsContact CG-O 3.24Å; F105-Y109 WeakPolarHBondContact CG-O 3.37Å; N106-Y109 HydrophobicContact CB-CD2 4.39Å; N106-Y109 PolarHBondContact O-N 2.95Å
110T75.6Confident70Confident117 Ų117138 Ų13872%0.71873%0.729SS**PPolyproline II helixtrans-86.8129.2171.970.20000108.9L112T110-L112 PolarHBondContact O-N 3.41Å
111A71.4Confident70.1Confident90 Ų90133.4 Ų133.474%0.74472%0.717SS**PPolyproline II helixtrans-65.4123.8170.600000109.1
112L72.4Confident70.5Confident152 Ų152126.3 Ų126.380%0.79670%0.702SS**PPolyproline II helixtrans-62.4138.3169.7-64.7174.1000108.3T110 Q114T110-L112 PolarHBondContact O-N 3.41Å; L112-Q114 PolarHBondContact O-N 2.95Å
113S71.8Confident70.3Confident105 Ų105128.3 Ų128.373%0.73470%0.703SS**  trans-65.2102.1177.352.60000108.9S115S113-S115 VanDerWaalsContact C-N 3.31Å; S113-S115 PolarHBondContact O-N 3.48Å; S113-S115 VanDerWaalsContact O-N 3.14Å
114Q67.8Low70Confident187 Ų187128.1 Ų128.187%0.87470%0.698SS**  trans-8085.9167.4-63.4-179.6-42.100106.7L112L112-Q114 PolarHBondContact O-N 2.95Å
115S70.4Confident69.3Low53 Ų53124 Ų12437%0.37169%0.693SS.*  trans-74142168.480.50000108.1S113 D117 E118S113-S115 VanDerWaalsContact C-N 3.31Å; S113-S115 PolarHBondContact O-N 3.48Å; S113-S115 VanDerWaalsContact O-N 3.14Å; S115-D117 PolarHBondContact O-N 3.21Å; S115-E118 VanDerWaalsContact CA-OE1 3.23Å; S115-E118 WeakPolarHBondContact CA-OE1 3.36Å; S115-E118 WeakPolarHBondContact CB-OE1 3.44Å; S115-E118 PolarHBondContact N-OE1 2.91Å; S115-E118 VanDerWaalsContact O-CG 3.26Å; S115-E118 WeakPolarHBondContact O-CG 3.39Å; S115-E118 VanDerWaalsContact O-OE1 3.05Å; S115-E118 PolarHBondContact OG-OE1 3.33Å
116P63.2Low69Low121 Ų121125 Ų12579%0.78670%0.704SS**THydrogen-bonded Turntrans-71.3-8.1177.529.7-35.1000112.9
117D62.9Low68.1Low145 Ų145124.4 Ų124.478%0.77571%0.71SS**THydrogen-bonded Turntrans-89.3-8.8-174.1-58.3-48.3000112.9S115 N119S115-D117 PolarHBondContact O-N 3.21Å; D117-N119 VanDerWaalsContact C-N 3.34Å; D117-N119 PolarHBondContact O-N 2.7Å; D117-N119 VanDerWaalsContact O-N 3.12Å
118E67.7Low67.2Low99 Ų99121.5 Ų121.546%0.46371%0.705SS.*  trans-83.880.7168.859.4-141.796.300109.8S115 L120S115-E118 VanDerWaalsContact CA-OE1 3.23Å; S115-E118 WeakPolarHBondContact CA-OE1 3.36Å; S115-E118 WeakPolarHBondContact CB-OE1 3.44Å; S115-E118 PolarHBondContact N-OE1 2.91Å; S115-E118 VanDerWaalsContact O-CG 3.26Å; S115-E118 WeakPolarHBondContact O-CG 3.39Å; S115-E118 VanDerWaalsContact O-OE1 3.05Å; S115-E118 PolarHBondContact OG-OE1 3.33Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.44Å
119N64.3Low66.3Low108 Ų108120.6 Ų120.658%0.57870%0.695SS**  trans-66.690.1176.4-171.711.7000110.4D117 V121D117-N119 VanDerWaalsContact C-N 3.34Å; D117-N119 PolarHBondContact O-N 2.7Å; D117-N119 VanDerWaalsContact O-N 3.12Å; N119-V121 PolarHBondContact ND2-O 2.86Å; N119-V121 PolarHBondContact O-N 2.97Å; N119-V121 VanDerWaalsContact O-N 3.17Å; N119-V121 VanDerWaalsContact OD1-C 3.29Å; N119-V121 PolarHBondContact OD1-N 3.4Å; N119-V121 PolarHBondContact OD1-O 3.38Å
120L69.8Low65.8Low156 Ų156120.3 Ų120.382%0.81770%0.7SS**SBendtrans-70.5-2.5177.7-59.3-177.6000113.2E118E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.44Å
121V62Low64.8Low95 Ų95120.8 Ų120.858%0.57670%0.698SS**  trans-146.293.7-174.9-137.30000110.2N119 L123N119-V121 PolarHBondContact ND2-O 2.86Å; N119-V121 PolarHBondContact O-N 2.97Å; N119-V121 VanDerWaalsContact O-N 3.17Å; N119-V121 VanDerWaalsContact OD1-C 3.29Å; N119-V121 PolarHBondContact OD1-N 3.4Å; N119-V121 PolarHBondContact OD1-O 3.38Å; V121-L123 HydrophobicContact CB-CD2 4.48Å; V121-L123 HydrophobicContact CG1-CD2 4.21Å; V121-L123 PolarHBondContact O-N 2.64Å; V121-L123 VanDerWaalsContact O-N 3.11Å
122S70.6Confident63.8Low78 Ų78125.2 Ų125.255%0.54570%0.703SS.*  trans-65.3105.4164.4-67.50000109D124S122-D124 VanDerWaalsContact CA-OD1 3.31Å; S122-D124 WeakPolarHBondContact CA-OD1 3.41Å; S122-D124 WeakPolarHBondContact CB-OD1 3.1Å; S122-D124 PolarHBondContact O-N 2.67Å
123L60.6Low63.1Low157 Ų157121.8 Ų121.882%0.82269%0.692SS**  trans-82.95178.3-63178.6000112.7V121 S125V121-L123 HydrophobicContact CB-CD2 4.48Å; V121-L123 HydrophobicContact CG1-CD2 4.21Å; V121-L123 PolarHBondContact O-N 2.64Å; V121-L123 VanDerWaalsContact O-N 3.11Å; L123-S125 VanDerWaalsContact C-N 3.31Å; L123-S125 PolarHBondContact O-N 3.29Å
124D62.4Low62.3Low118 Ų118127.9 Ų127.963%0.63170%0.699SS**  trans-90.427.9-178.848.9-67.5000113.6S122 D126S122-D124 VanDerWaalsContact CA-OD1 3.31Å; S122-D124 WeakPolarHBondContact CA-OD1 3.41Å; S122-D124 WeakPolarHBondContact CB-OD1 3.1Å; S122-D124 PolarHBondContact O-N 2.67Å; D124-D126 VanDerWaalsContact C-N 3.3Å; D124-D126 PolarHBondContact O-N 3.05Å; D124-D126 VanDerWaalsContact O-N 3.1Å
125S64.3Low61.7Low105 Ų105130.5 Ų130.573%0.73470%0.702SS**  trans-80.179.7164.5-73.60000110.4L123 S127L123-S125 VanDerWaalsContact C-N 3.31Å; L123-S125 PolarHBondContact O-N 3.29Å; S125-S127 VanDerWaalsContact C-N 3.31Å; S125-S127 PolarHBondContact O-N 3.46Å
126D63.2Low60.7Low151 Ų151133.5 Ų133.581%0.80772%0.723SS**  trans-7585.2166-77.1-32.6000109.1D124 D128D124-D126 VanDerWaalsContact C-N 3.3Å; D124-D126 PolarHBondContact O-N 3.05Å; D124-D126 VanDerWaalsContact O-N 3.1Å; D126-D128 PolarHBondContact O-N 3.46Å
127S61.6Low60.3Low110 Ų110133.8 Ų133.877%0.76973%0.729SS**  trans-89.378.7172.31770000110.1S125 G129S125-S127 VanDerWaalsContact C-N 3.31Å; S125-S127 PolarHBondContact O-N 3.46Å; S127-G129 VanDerWaalsContact C-N 3.32Å; S127-G129 PolarHBondContact O-N 3.35Å
128D62.5Low59.8Low156 Ų156130.1 Ų130.183%0.83472%0.724SS**  trans-7584.7165.2-75.6-46.3000109.9D126D126-D128 PolarHBondContact O-N 3.46Å
129G57.3Low59Low51 Ų51135.7 Ų135.753%0.52674%0.743SS.*  trans-106.766.117500000111.9S127 L131S127-G129 VanDerWaalsContact C-N 3.32Å; S127-G129 PolarHBondContact O-N 3.35Å; G129-L131 PolarHBondContact O-N 2.95Å
130E60.3Low58.6Low172 Ų172134.6 Ų134.680%0.80474%0.744SS**  trans-66.598.9162.3-70.9-86116.200108.2
131L53.7Low57.8Low128 Ų128132.2 Ų132.267%0.6774%0.74SS**  trans-141.990.5159.730.9147000109.8G129 S133G129-L131 PolarHBondContact O-N 2.95Å; L131-S133 PolarHBondContact O-N 3.06Å
132E52.1Low57.4Low182 Ų182130.6 Ų130.685%0.8574%0.736SS**  trans-48.693.8142.1-81.5122.3113.600109.5
133S57Low56.7Low81 Ų81132.6 Ų132.657%0.56674%0.737SS**  trans-146.397.4165.457.40000109.6L131L131-S133 PolarHBondContact O-N 3.06Å
134R55.6Low56.6Low232 Ų232132.4 Ų132.488%0.87573%0.732SS**  trans34.8120.9142.2-59.6-168.2-176.6-162.72.7116.9S136R134-S136 PolarHBondContact O-N 3.34Å
135Y53.7Low56.3Low242 Ų242131.8 Ų131.895%0.94973%0.732SS**  trans-12.9101.8141-84.4-101.2000112.8
136S50.8Low56.2Low116 Ų116131.1 Ų131.181%0.81172%0.721SS**  trans-156.1121.9162.9-129.70000109.7R134 G138R134-S136 PolarHBondContact O-N 3.34Å; S136-G138 PolarHBondContact O-N 3.1Å
137S55Low56.7Low128 Ų128129.3 Ų129.390%0.89571%0.707SS**  trans-42.5123.9-175.4-49.10000114.2
138G51.3Low57.6Low67 Ų67128.6 Ų128.669%0.69170%0.695SS**  trans-136.827.4-175.500000115.2S136 S140S136-G138 PolarHBondContact O-N 3.1Å; G138-S140 VanDerWaalsContact C-N 3.31Å; G138-S140 PolarHBondContact O-N 3.17Å; G138-S140 VanDerWaalsContact O-N 3.11Å
139Y51.3Low58.6Low217 Ų217124.9 Ų124.985%0.85168%0.678SS**THydrogen-bonded Turntrans-8080.8166-68.8-82.9000109.1
140S56.6Low59.4Low85 Ų85124.1 Ų124.159%0.59466%0.664SS**THydrogen-bonded Turntrans-139.1-4.8173.2-162.30000114.5G138G138-S140 VanDerWaalsContact C-N 3.31Å; G138-S140 PolarHBondContact O-N 3.17Å; G138-S140 VanDerWaalsContact O-N 3.11Å
141S51.7Low60.4Low105 Ų105121.9 Ų121.973%0.73465%0.648SS**SBendtrans-105.4-10.5175.8-54.20000113.8
142A52.9Low61.9Low61 Ų61120.1 Ų120.150%0.50464%0.637SS.*SBendtrans-85.7-23.9174.200000112.6Q144 N146A142-Q144 VanDerWaalsContact C-N 3.33Å; A142-Q144 PolarHBondContact O-N 3.18Å; A142-N146 WeakPolarHBondContact O-CB 3.45Å; A142-N146 PolarHBondContact O-N 3.39Å
143E57.3Low63.4Low120 Ų120114 Ų11456%0.56161%0.61SS**Hα-helixtrans-68.5-28.8-173.9-63-164119.300113.7Q147E143-Q147 WeakPolarHBondContact O-CG 3.36Å; E143-Q147 PolarHBondContact O-N 3.02Å
144Q57.6Low64.4Low153 Ų153114.7 Ų114.772%0.71561%0.606SS**Hα-helixtrans-82.6-39.6-172.7-134.4155.227.600112.9A142 N146A142-Q144 VanDerWaalsContact C-N 3.33Å; A142-Q144 PolarHBondContact O-N 3.18Å; Q144-N146 VanDerWaalsContact C-N 3.26Å
145V56.1Low65.6Low105 Ų105110.5 Ų110.564%0.63660%0.597SS**Hα-helixtrans-72.4-26.8173.1-138.40000111.1V149V145-V149 WeakPolarHBondContact O-CG2 3.39Å
146N61.9Low67.1Low91 Ų91103.5 Ų103.549%0.48758%0.576SS.*Hα-helixtrans-73.3-35.7178.4-161.9-1.6000111.5A142 Q144 D148 V149 S150A142-N146 WeakPolarHBondContact O-CB 3.45Å; A142-N146 PolarHBondContact O-N 3.39Å; Q144-N146 VanDerWaalsContact C-N 3.26Å; N146-D148 PolarHBondContact O-N 2.91Å; N146-V149 PolarHBondContact O-N 3.37Å; N146-S150 WeakPolarHBondContact O-CB 3.48Å; N146-S150 PolarHBondContact O-N 3.41Å; N146-S150 PolarHBondContact O-OG 3.46Å; N146-S150 PolarHBondContact OD1-OG 2.86Å
147Q74.9Confident68.3Low114 Ų114100.4 Ų100.453%0.53356%0.562SS.*Hα-helixtrans-60.9-41.7179.5-80.5-179.14600114.3E143 S150 R151E143-Q147 WeakPolarHBondContact O-CG 3.36Å; E143-Q147 PolarHBondContact O-N 3.02Å; Q147-S150 PolarHBondContact O-N 2.94Å; Q147-R151 VanDerWaalsContact O-CG 3.29Å; Q147-R151 WeakPolarHBondContact O-CG 3.07Å; Q147-R151 PolarHBondContact O-N 2.93Å; Q147-R151 PolarHBondContact O-NH1 3.3Å
148D80.9Confident69.2Low95 Ų95102 Ų10251%0.50855%0.55SS..Hα-helixtrans-70.3-39.7-178.8-70.714.1000111.2N146 R151 Q152N146-D148 PolarHBondContact O-N 2.91Å; D148-R151 PolarHBondContact O-N 3.09Å; D148-R151 IonicContact OD1-CZ 3.06Å; D148-R151 IonicContact OD1-NH1 2.75Å; D148-R151 PolarHBondContact OD1-NH1 2.84Å; D148-R151 IonicContact OD1-NH2 2.62Å; D148-R151 PolarHBondContact OD1-NH2 2.83Å; D148-R151 IonicContact OD2-NH2 3.61Å; D148-Q152 PolarHBondContact O-N 3.06Å
149V81.6Confident70.2Confident78 Ų78104.8 Ų104.847%0.47354%0.544SS..Hα-helixtrans-65.9-43.81741750000110.6V145 N146 R151 Q152 L153V145-V149 WeakPolarHBondContact O-CG2 3.39Å; N146-V149 PolarHBondContact O-N 3.37Å; V149-R151 VanDerWaalsContact C-N 3.33Å; V149-R151 PolarHBondContact O-N 2.05Å; V149-Q152 PolarHBondContact O-N 3.06Å; V149-Q152 VanDerWaalsContact O-N 3.13Å; V149-L153 HydrophobicContact CG1-CD1 3.9Å; V149-L153 HydrophobicContact CG1-CG 4.28Å; V149-L153 VanDerWaalsContact O-CG 3.29Å; V149-L153 WeakPolarHBondContact O-CG 3.29Å; V149-L153 PolarHBondContact O-N 3.5Å
150S75.6Confident71.3Confident35 Ų3599.8 Ų99.825%0.24553%0.532CS..Hα-helixtrans-58.4-44.4173.6-61.60000111.2N146 Q147 Q152 L153 L154N146-S150 WeakPolarHBondContact O-CB 3.48Å; N146-S150 PolarHBondContact O-N 3.41Å; N146-S150 PolarHBondContact O-OG 3.46Å; N146-S150 PolarHBondContact OD1-OG 2.86Å; Q147-S150 PolarHBondContact O-N 2.94Å; S150-Q152 VanDerWaalsContact C-N 3.31Å; S150-Q152 PolarHBondContact O-N 3.23Å; S150-L153 PolarHBondContact O-N 3.45Å; S150-L154 WeakPolarHBondContact O-CB 3.49Å; S150-L154 WeakPolarHBondContact O-CD1 3.48Å; S150-L154 PolarHBondContact O-N 3.4Å
151R80.8Confident71.7Confident124 Ų124102.4 Ų102.447%0.46854%0.539SS..Hα-helixtrans-63.9-33.7176.2-71.2-169.7-42.9-90.45.5113Q147 D148 V149 Q155Q147-R151 VanDerWaalsContact O-CG 3.29Å; Q147-R151 WeakPolarHBondContact O-CG 3.07Å; Q147-R151 PolarHBondContact O-N 2.93Å; Q147-R151 PolarHBondContact O-NH1 3.3Å; D148-R151 PolarHBondContact O-N 3.09Å; D148-R151 IonicContact OD1-CZ 3.06Å; D148-R151 IonicContact OD1-NH1 2.75Å; D148-R151 PolarHBondContact OD1-NH1 2.84Å; D148-R151 IonicContact OD1-NH2 2.62Å; D148-R151 PolarHBondContact OD1-NH2 2.83Å; D148-R151 IonicContact OD2-NH2 3.61Å; V149-R151 VanDerWaalsContact C-N 3.33Å; V149-R151 PolarHBondContact O-N 2.05Å; R151-Q155 VanDerWaalsContact O-CG 3.32Å; R151-Q155 WeakPolarHBondContact O-CG 3.46Å; R151-Q155 PolarHBondContact O-N 2.88Å; R151-Q155 VanDerWaalsContact O-N 3.13Å; R151-Q155 PolarHBondContact O-NE2 3.34Å
152Q85.6Confident72.2Confident91 Ų91105.9 Ų105.943%0.42554%0.544SS..Hα-helixtrans-71.3-44.9175.1-176.6614700111.4D148 V149 S150 L154 Q155 D156D148-Q152 PolarHBondContact O-N 3.06Å; V149-Q152 PolarHBondContact O-N 3.06Å; V149-Q152 VanDerWaalsContact O-N 3.13Å; S150-Q152 VanDerWaalsContact C-N 3.31Å; S150-Q152 PolarHBondContact O-N 3.23Å; Q152-L154 VanDerWaalsContact C-N 3.32Å; Q152-L154 PolarHBondContact O-N 2.93Å; Q152-Q155 WeakPolarHBondContact O-CA 3.38Å; Q152-Q155 WeakPolarHBondContact O-CB 3.28Å; Q152-Q155 PolarHBondContact O-N 3.31Å; Q152-Q155 VanDerWaalsContact O-N 3.08Å; Q152-D156 VanDerWaalsContact NE2-CG 3.25Å; Q152-D156 PolarHBondContact NE2-OD1 3.07Å; Q152-D156 PolarHBondContact NE2-OD2 3.09Å; Q152-D156 WeakPolarHBondContact O-CB 3.16Å; Q152-D156 VanDerWaalsContact O-CG 3.29Å; Q152-D156 PolarHBondContact O-N 3.21Å
153L83.4Confident72.8Confident55 Ų55108.9 Ų108.929%0.28855%0.55SS..Hα-helixtrans-60.9-42177.4-69.1170.9000111.4V149 S150 Q155 D156 G157 Y158V149-L153 HydrophobicContact CG1-CD1 3.9Å; V149-L153 HydrophobicContact CG1-CG 4.28Å; V149-L153 VanDerWaalsContact O-CG 3.29Å; V149-L153 WeakPolarHBondContact O-CG 3.29Å; V149-L153 PolarHBondContact O-N 3.5Å; S150-L153 PolarHBondContact O-N 3.45Å; L153-Q155 VanDerWaalsContact C-N 3.35Å; L153-Q155 PolarHBondContact O-N 2.91Å; L153-D156 CarbonylContact O-C 3.58Å; L153-D156 PolarHBondContact O-N 2.98Å; L153-G157 PolarHBondContact O-N 3.02Å; L153-Y158 CarbonylContact C-O 3.55Å; L153-Y158 CarbonylContact O-C 3.55Å; L153-Y158 WeakPolarHBondContact O-CA 3.34Å; L153-Y158 WeakPolarHBondContact O-CB 3.44Å; L153-Y158 PolarHBondContact O-N 3.13Å
154L77.7Confident73.1Confident94 Ų94107 Ų10749%0.49255%0.548SS..Hα-helixtrans-62.9-39.3173.1-91.968.8000112.2S150 Q152 D156 G157S150-L154 WeakPolarHBondContact O-CB 3.49Å; S150-L154 WeakPolarHBondContact O-CD1 3.48Å; S150-L154 PolarHBondContact O-N 3.4Å; Q152-L154 VanDerWaalsContact C-N 3.32Å; Q152-L154 PolarHBondContact O-N 2.93Å; L154-D156 VanDerWaalsContact C-N 3.31Å; L154-G157 PolarHBondContact O-N 3.04Å
155Q81.8Confident73.3Confident144 Ų144107 Ų10767%0.67355%0.553SS**Hα-helixtrans-65.1-35.4174.6-82.3167.371.500112.4R151 Q152 L153 G157R151-Q155 VanDerWaalsContact O-CG 3.32Å; R151-Q155 WeakPolarHBondContact O-CG 3.46Å; R151-Q155 PolarHBondContact O-N 2.88Å; R151-Q155 VanDerWaalsContact O-N 3.13Å; R151-Q155 PolarHBondContact O-NE2 3.34Å; Q152-Q155 WeakPolarHBondContact O-CA 3.38Å; Q152-Q155 WeakPolarHBondContact O-CB 3.28Å; Q152-Q155 PolarHBondContact O-N 3.31Å; Q152-Q155 VanDerWaalsContact O-N 3.08Å; L153-Q155 VanDerWaalsContact C-N 3.35Å; L153-Q155 PolarHBondContact O-N 2.91Å; Q155-G157 PolarHBondContact O-N 3.25Å
156D83.6Confident73.8Confident96 Ų96106.6 Ų106.651%0.51355%0.547SS..THydrogen-bonded Turntrans-82.83.9179.4-64.4-24.8000112.8Q152 L153 L154 Y158Q152-D156 VanDerWaalsContact NE2-CG 3.25Å; Q152-D156 PolarHBondContact NE2-OD1 3.07Å; Q152-D156 PolarHBondContact NE2-OD2 3.09Å; Q152-D156 WeakPolarHBondContact O-CB 3.16Å; Q152-D156 VanDerWaalsContact O-CG 3.29Å; Q152-D156 PolarHBondContact O-N 3.21Å; L153-D156 CarbonylContact O-C 3.58Å; L153-D156 PolarHBondContact O-N 2.98Å; L154-D156 VanDerWaalsContact C-N 3.31Å; D156-Y158 VanDerWaalsContact C-N 3.31Å; D156-Y158 HydrophobicContact CB-CD2 4.23Å
157G76.5Confident73.9Confident50 Ų50110.1 Ų110.152%0.51556%0.561SS.*THydrogen-bonded Turntrans80.48177.700000114.7L153 L154 Q155 H159L153-G157 PolarHBondContact O-N 3.02Å; L154-G157 PolarHBondContact O-N 3.04Å; Q155-G157 PolarHBondContact O-N 3.25Å; G157-H159 PolarHBondContact O-N 3.29Å
158Y74.4Confident73.6Confident163 Ų163111.5 Ų111.564%0.63957%0.572SS**  trans-86.487.4170.8-74.7-87.6000109.2L153 D156 L160L153-Y158 CarbonylContact C-O 3.55Å; L153-Y158 CarbonylContact O-C 3.55Å; L153-Y158 WeakPolarHBondContact O-CA 3.34Å; L153-Y158 WeakPolarHBondContact O-CB 3.44Å; L153-Y158 PolarHBondContact O-N 3.13Å; D156-Y158 VanDerWaalsContact C-N 3.31Å; D156-Y158 HydrophobicContact CB-CD2 4.23Å; Y158-L160 PolarHBondContact O-N 3.32Å
159H71.4Confident73.2Confident125 Ų125112.3 Ų112.358%0.57958%0.576SS**  trans-74.7119.1164.6-58.7-77.9000107.3G157 D161G157-H159 PolarHBondContact O-N 3.29Å; H159-D161 PolarHBondContact O-N 2.83Å; H159-D161 VanDerWaalsContact O-N 3.14Å
160L74.1Confident72.7Confident111 Ų111114.9 Ų114.958%0.58159%0.587SS**  trans-71107.9168-60178.5000105.7Y158 E162Y158-L160 PolarHBondContact O-N 3.32Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 2.96Å
161D65.8Low72.4Confident140 Ų140120.3 Ų120.375%0.74961%0.612SS**  trans-64.897173.8-64.3-39.4000107.1H159 I163H159-D161 PolarHBondContact O-N 2.83Å; H159-D161 VanDerWaalsContact O-N 3.14Å; D161-I163 PolarHBondContact O-N 3.02Å
162E62.9Low71.8Confident178 Ų178120.3 Ų120.383%0.83262%0.62SS**  trans-76.92.4176.5-70.5176.5-172.400111.9L160 P164L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 2.96Å; E162-P164 WeakPolarHBondContact O-CD 3.4Å
163I64.5Low71.1Confident124 Ų124121 Ų12164%0.63663%0.633SS**SBendtrans-73.2114.1170.5-53.1176.2000105.8D161 D165D161-I163 PolarHBondContact O-N 3.02Å; I163-D165 PolarHBondContact O-N 2.87Å
164P63.8Low70.2Confident80 Ų80124.1 Ų124.152%0.51966%0.656SS.*  trans-61.2135.3176.222.6-24.7000109E162 D166E162-P164 WeakPolarHBondContact O-CD 3.4Å; P164-D166 VanDerWaalsContact C-OD1 3.29Å; P164-D166 WeakPolarHBondContact CB-OD1 3.5Å; P164-D166 WeakPolarHBondContact CG-OD1 3.33Å; P164-D166 PolarHBondContact O-N 2.71Å
165D63Low69.5Low153 Ų153128 Ų12882%0.81867%0.669SS**THydrogen-bonded Turntrans-64.614.2179-85.5-23.9000112.8I163I163-D165 PolarHBondContact O-N 2.87Å
166D65.1Low68.6Low97 Ų97126.9 Ų126.952%0.51967%0.674SS.*THydrogen-bonded Turntrans-87.1-10.8-178.960.4-15.3000113.6P164P164-D166 VanDerWaalsContact C-OD1 3.29Å; P164-D166 WeakPolarHBondContact CB-OD1 3.5Å; P164-D166 WeakPolarHBondContact CG-OD1 3.33Å; P164-D166 PolarHBondContact O-N 2.71Å
167E63.8Low67.2Low166 Ų166130.5 Ų130.578%0.77669%0.69SS**THydrogen-bonded Turntrans-82.8-10.2175.8-75.3-96.9110.400114.3
168D70Confident66.5Low143 Ų143132.8 Ų132.877%0.76570%0.704SS**THydrogen-bonded Turntrans-105.64.4173.9-72.5-10.5000112.7D170D168-D170 PolarHBondContact O-N 2.81Å
169L72.3Confident65.4Low112 Ų112129.6 Ų129.659%0.58671%0.705SS**  trans-70.687.8162.1-62.1-178.8000106.5L171L169-L171 HydrophobicContact CB-CD2 4.48Å; L169-L171 PolarHBondContact O-N 2.9Å
170D70.6Confident64.6Low131 Ų131128.5 Ų128.570%0.70171%0.712SS**  trans-51.792.3159.457.5-34.7000106.6D168 I172D168-D170 PolarHBondContact O-N 2.81Å; D170-I172 PolarHBondContact O-N 3.21Å
171L70Confident63.6Low149 Ų149128 Ų12878%0.7872%0.724SS**  trans-61.788.1177.9-66.2179000105.4L169 P173L169-L171 HydrophobicContact CB-CD2 4.48Å; L169-L171 PolarHBondContact O-N 2.9Å; L171-P173 WeakPolarHBondContact O-CD 3.49Å
172I66.8Low62.7Low125 Ų125124.9 Ų124.964%0.64171%0.712SS**  trans-49112.6171.4-65.2171.4000103D170D170-I172 PolarHBondContact O-N 3.21Å
173P70.6Confident62.2Low105 Ų105122.7 Ų122.768%0.68272%0.716SS**PPolyproline II helixtrans-51.5126.5178.1-26.635000106.2L171 K175L171-P173 WeakPolarHBondContact O-CD 3.49Å; P173-K175 PolarHBondContact O-N 3.42Å
174P65.1Low61.5Low121 Ų121122 Ų12279%0.78672%0.722SS**PPolyproline II helixtrans-51126.5-173.220-32.2000107.4
175K63.4Low60.9Low175 Ų175121.7 Ų121.776%0.76172%0.72SS**PPolyproline II helixtrans-48124.5-179.9-75.8171.8-179.4161.30106.9P173 M177P173-K175 PolarHBondContact O-N 3.42Å; K175-M177 PolarHBondContact O-N 3.09Å
176P62Low60.4Low120 Ų120126.1 Ų126.178%0.77973%0.726SS**PPolyproline II helixtrans-54.5118.3178.420.8-31000107A178P176-A178 PolarHBondContact O-N 3.07Å
177M56.2Low60Low173 Ų173125.4 Ų125.485%0.85273%0.727SS**  trans-69.476.4176.8-67.4179.371.900108K175 S179K175-M177 PolarHBondContact O-N 3.09Å; M177-S179 PolarHBondContact O-N 3.03Å
178A61.1Low59.5Low98 Ų98122.8 Ų122.881%0.8173%0.726SS**  trans-74.769.4162.500000108.5P176P176-A178 PolarHBondContact O-N 3.07Å
179S50.8Low58.6Low95 Ų95123.7 Ų123.766%0.66473%0.73SS**  trans-176.181.2158.243.20000108.6M177 A181M177-S179 PolarHBondContact O-N 3.03Å; S179-A181 VanDerWaalsContact C-N 3.26Å; S179-A181 PolarHBondContact O-N 3.4Å
180S53.9Low57.4Low103 Ų103121 Ų12172%0.7273%0.73SS**  trans-6284.5164.7590000109.9C182S180-C182 PolarHBondContact O-N 3.12Å
181A53.1Low56.6Low100 Ų100122.9 Ų122.983%0.82674%0.74SS**  trans-76.885.4161.300000107.8S179 S183S179-A181 VanDerWaalsContact C-N 3.26Å; S179-A181 PolarHBondContact O-N 3.4Å; A181-S183 PolarHBondContact O-N 2.86Å
182C46.8Very low55.7Low75 Ų75121.4 Ų121.451%0.50774%0.742SS.*  trans-55.3120.6171.6179.70000110.2S180 C184S180-C182 PolarHBondContact O-N 3.12Å; C182-C184 VanDerWaalsContact C-N 3.3Å; C182-C184 PolarHBondContact O-N 3.07Å; C182-C184 PolarHBondContact SG-SG 2.77Å
183S54.1Low55.5Low131 Ų131121 Ų12192%0.91675%0.751SS**THydrogen-bonded Turntrans-855.6179.383.60000114.4A181A181-S183 PolarHBondContact O-N 2.86Å
184C49.9Very low54.8Low111 Ų111121 Ų12175%0.7575%0.753SS**THydrogen-bonded Turntrans-114.814.5-175.361.50000116.3C182C182-C184 VanDerWaalsContact C-N 3.3Å; C182-C184 PolarHBondContact O-N 3.07Å; C182-C184 PolarHBondContact SG-SG 2.77Å
185C49.3Very low53.9Low72 Ų72120.3 Ų120.349%0.48675%0.75SS.*  trans-152.1130.9170.8-142.80000111.8C187C185-C187 HydrophobicContact CB-CB 3.6Å; C185-C187 WeakPolarHBondContact CB-SG 3.19Å; C185-C187 PolarHBondContact O-N 2.72Å; C185-C187 WeakPolarHBondContact SG-CB 3.36Å; C185-C187 CovalentContact SG-SG 2.05Å; C185-C187 PolarHBondContact SG-SG 3.32Å
186W54.4Low53.6Low246 Ų246118 Ų11893%0.93275%0.75SS**SBendtrans-69.129.9167-148.2-30.9000112
187C55.8Low52.8Low82 Ų82120.6 Ų120.655%0.55476%0.757SS**  trans-114.48.2-155.8-48.90000113.5C185C185-C187 HydrophobicContact CB-CB 3.6Å; C185-C187 WeakPolarHBondContact CB-SG 3.19Å; C185-C187 PolarHBondContact O-N 2.72Å; C185-C187 WeakPolarHBondContact SG-CB 3.36Å; C185-C187 CovalentContact SG-SG 2.05Å; C185-C187 PolarHBondContact SG-SG 3.32Å
188C53.9Low51.8Low112 Ų112124.7 Ų124.776%0.75777%0.774SS**  trans-116.429.2176.6-58.10000113.2G190C188-G190 PolarHBondContact O-N 3.01Å
189L49.9Very low51.3Low161 Ų161126 Ų12684%0.84377%0.772SS**SBendtrans-89.484.9155.3-92.385000107.8
190G48.5Very low51.4Low57 Ų57127.6 Ų127.659%0.58878%0.778SS**SBendtrans138.3122.3175.600000111.3C188 S192C188-G190 PolarHBondContact O-N 3.01Å; G190-S192 PolarHBondContact O-N 3.47Å
191D52.9Low51.2Low170 Ų170129 Ų12991%0.90978%0.781SS**  trans-38.7108.7174.5-83.1-39.4000112.3
192S50.3Low51.1Low117 Ų117130.7 Ų130.782%0.81878%0.778SS**  trans-167.3109.7153.1-810000110.1G190G190-S192 PolarHBondContact O-N 3.47Å
193S63.5Low51.4Low118 Ų118134.2 Ų134.283%0.82580%0.795SS**  trans-53.5147.7171.947.40000114.4
194S55.3Low51.2Low103 Ų103134.4 Ų134.472%0.7279%0.787SS**  trans112.490.2154.5-175.10000116.3
195C46.4Very low51.3Low107 Ų107136.1 Ų136.172%0.72379%0.79SS**  trans-103.6108.8146.766.20000108.9
196T57.8Low51.4Low127 Ų127141 Ų14178%0.77981%0.813SS**  trans-95.9113.1165.949.20000108
197L43.9Very low51.2Low175 Ų175132.3 Ų132.392%0.91680%0.803SS**  trans-76127.7168.1-98.9142.9000108.7
198Q36Very low50.8Low258 Ų258136.8 Ų136.8100%1.20683%0.826SS**  trans-106.80166.2-175.7177.5-7.100109.1

Retrieved 198 of 198 residues in 302.6 ms (Link to these results)