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Mediator of RNA polymerase II transcription subunit 19

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A096MA03, Species POEFO (Poecilia formosa, Amazon molly), Gene MED19, Length 204 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
1M39.4Very low43.4Very low248 Ų248144.5 Ų144.5100%1.22281%0.812SS**  0150.20-78158.7166.900108.3
2A38.5Very low42.8Very low100 Ų100146.8 Ų146.883%0.82681%0.811SS**  trans-73.8-179.9170.500000110.2
3A38.3Very low42.6Very low79 Ų79139.9 Ų139.965%0.65379%0.794SS**  cis-155.8151.811.900000109.3
4Q37.6Very low42.8Very low190 Ų190139.5 Ų139.589%0.88880%0.8SS**  84.3144.7105-165.116147.600116.2
5M40.9Very low42.6Very low173 Ų173136.9 Ų136.985%0.85280%0.802SS**  trans-105-156.2-167.6-54.6-147.5-51.800114.3
6P66.1Low43Very low104 Ų104137.8 Ų137.868%0.67580%0.801SS**  -120.4177.8-116.937.7-17000115.7
7P48.4Very low43.3Very low119 Ų119144.4 Ų144.477%0.77381%0.809SS**  trans-140.1170.4132.636.1-21.1000112.5
8Q44.7Very low43.4Very low163 Ų163147.2 Ų147.276%0.76281%0.812SS**  cis94.4126.17.4-72.3-70.6800119.9
9L39.9Very low43.7Very low149 Ų149146.2 Ų146.278%0.7882%0.816SS**  trans58.7163.2179-71115.6000115.9
10V38.1Very low43.9Very low120 Ų120142 Ų14273%0.72781%0.807SS**  cis-151.5140.312.7-122.10000107.9
11D45.2Very low44Very low144 Ų144139 Ų13977%0.7780%0.8SS**  93.7167.595.7-162.327.9000115.9
12E36.1Very low44.7Very low173 Ų173135.4 Ų135.481%0.80878%0.782SS**  trans91.3113.6168.7-75.9-77.57600121.7
13G40.1Very low45.7Very low57 Ų57138.4 Ų138.459%0.58878%0.784SS**  trans108.5128.1132.400000118.8A15G13-A15 PolarHBondContact O-N 3.23Å
14P46.1Very low46.7Very low134 Ų134141.7 Ų141.787%0.8779%0.786SS**  trans-81103.6-179.332.2-33.8000112.6L16P14-L16 VanDerWaalsContact C-N 3.32Å; P14-L16 PolarHBondContact O-N 2.85Å
15A39.2Very low48Very low101 Ų101136.2 Ų136.284%0.83577%0.767SS**  trans-69.686.4170.400000112G13G13-A15 PolarHBondContact O-N 3.23Å
16L49.6Very low49.4Very low151 Ų151136.4 Ų136.479%0.79176%0.764SS**  trans47100.2148.7-162.270.7000116.2P14 K18P14-L16 VanDerWaalsContact C-N 3.32Å; P14-L16 PolarHBondContact O-N 2.85Å; L16-K18 PolarHBondContact O-N 3.01Å
17R47.8Very low49.6Very low249 Ų249142.3 Ų142.394%0.9477%0.774SS**  trans-47.6103163.2-74.7-83.5-161.1135.15.3109.7S19R17-S19 PolarHBondContact O-N 2.85Å
18K44.8Very low50.9Low195 Ų195144.7 Ų144.785%0.84878%0.78SS**  trans-58.9110.3172.3-95.3-177.5173.61780109.2L16 G20L16-K18 PolarHBondContact O-N 3.01Å; K18-G20 PolarHBondContact O-N 2.89Å
19S48.7Very low52.4Low129 Ų129142.5 Ų142.590%0.90277%0.772SS**THydrogen-bonded Turntrans-6983.2166.354.50000109R17R17-S19 PolarHBondContact O-N 2.85Å
20G47.5Very low54.2Low61 Ų61146 Ų14663%0.62978%0.775SS**THydrogen-bonded Turntrans-167.1-18.4-17600000115.9K18 M22K18-G20 PolarHBondContact O-N 2.89Å; G20-M22 PolarHBondContact O-N 3.39Å
21A47.7Very low56Low80 Ų80149.3 Ų149.366%0.66178%0.783SS**  trans-79.346.6179.400000113.6
22M53.7Low57.5Low173 Ų173149.5 Ų149.585%0.85278%0.783SS**SBendtrans-110.721.4176.5-59.8-64.3-8000112.2G20G20-M22 PolarHBondContact O-N 3.39Å
23N59.2Low59.6Low162 Ų162146.9 Ų146.987%0.86678%0.781SS**SBendtrans-163.536.5171.1-107.4-51.3000112.8P25N23-P25 VanDerWaalsContact O-CD 3.31Å; N23-P25 WeakPolarHBondContact O-CD 3.31Å
24E59.1Low61.5Low148 Ų148151 Ų15169%0.69279%0.794SS**  trans-82.1112.5166.8-163.989-152.500107.4F26E24-F26 PolarHBondContact O-N 2.9Å
25P65.9Low62.9Low76 Ų76147.8 Ų147.849%0.49479%0.786SS.*  trans-66127.4176.127-32.3000108.8N23 Y27 L29N23-P25 VanDerWaalsContact O-CD 3.31Å; N23-P25 WeakPolarHBondContact O-CD 3.31Å; P25-Y27 PolarHBondContact O-N 3.3Å; P25-L29 HydrophobicContact CB-CB 4.39Å; P25-L29 HydrophobicContact CB-CD2 4.39Å
26F69.6Low64.9Low177 Ų177149 Ų14978%0.77678%0.778SS**  trans-48.7139.5167.6-77.7-96.5000109.1E24 L28 L29E24-F26 PolarHBondContact O-N 2.9Å; F26-L28 PolarHBondContact O-N 2.8Å; F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 2.69Å
27Y70.8Confident66.3Low227 Ų227151 Ų15189%0.8978%0.784SS**THydrogen-bonded Turntrans-56.10.8-171.1-63.5-81.9000117.4P25P25-Y27 PolarHBondContact O-N 3.3Å
28L74.6Confident68.2Low170 Ų170141.6 Ų141.689%0.8975%0.752SS**THydrogen-bonded Turntrans-117.1-11175.5-61.2176.5000113.7F26 R30F26-L28 PolarHBondContact O-N 2.8Å; L28-R30 PolarHBondContact O-N 3.14Å; L28-R30 VanDerWaalsContact O-N 3.14Å
29L77.2Confident70.3Confident116 Ų116135.3 Ų135.361%0.60773%0.73SS**  trans-81.190.2175.5-173.268.5000108.9P25 F26P25-L29 HydrophobicContact CB-CB 4.39Å; P25-L29 HydrophobicContact CB-CD2 4.39Å; F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 2.69Å
30R77.4Confident72.3Confident223 Ų223133.5 Ų133.584%0.84273%0.732SS**PPolyproline II helixtrans-63138.7164-73.4-175.3-176.4164.73.3109.1L28 L32L28-R30 PolarHBondContact O-N 3.14Å; L28-R30 VanDerWaalsContact O-N 3.14Å; R30-L32 PolarHBondContact O-N 3.32Å
31E75.6Confident74.5Confident189 Ų189137.3 Ų137.388%0.88374%0.738SS**PPolyproline II helixtrans-53.8129.4166.9-169.1166.3-168.500109
32L77Confident76.6Confident148 Ų148135.4 Ų135.478%0.77572%0.718SS**PPolyproline II helixtrans-64.9136-176.4-75.4161.3000108.9R30 V34R30-L32 PolarHBondContact O-N 3.32Å; L32-V34 PolarHBondContact O-N 3.34Å
33P79.8Confident78.5Confident118 Ų118131.5 Ų131.577%0.76670%0.7SS**PPolyproline II helixtrans-52.4135.9173.2-24.933.8000110.2G35P33-G35 PolarHBondContact O-N 3.21Å
34V80.9Confident80.2Confident143 Ų143127.9 Ų127.987%0.86768%0.681SS**PPolyproline II helixtrans-50.8127.6179.4-169.10000108.8L32 N36L32-V34 PolarHBondContact O-N 3.34Å; V34-N36 PolarHBondContact O-N 3.16Å; V34-N36 VanDerWaalsContact O-N 3.16Å
35G73.9Confident81.8Confident68 Ų68123.3 Ų123.370%0.70166%0.66SS**PPolyproline II helixtrans-56121.1-173.400000111.3P33 E37P33-G35 PolarHBondContact O-N 3.21Å; G35-E37 PolarHBondContact O-N 3.13Å
36N82Confident83.1Confident125 Ų125122.6 Ų122.667%0.66866%0.655SS**PPolyproline II helixtrans-70.5124.5179.2-154.357.4000108.9V34 L38 T39V34-N36 PolarHBondContact O-N 3.16Å; V34-N36 VanDerWaalsContact O-N 3.16Å; N36-L38 PolarHBondContact ND2-O 3.4Å; N36-L38 PolarHBondContact O-N 3.24Å; N36-L38 VanDerWaalsContact O-N 3.13Å; N36-T39 WeakPolarHBondContact O-CG2 3.22Å
37E78.8Confident84.3Confident195 Ų195118.6 Ų118.691%0.91164%0.638SS**SBendtrans-58.8-32.8-171.6-60.2-158125.100113.2G35G35-E37 PolarHBondContact O-N 3.13Å
38L87.9Confident85.5Confident50 Ų50114 Ų11426%0.26262%0.62SS.*SBendtrans-98.5115.1173.9-16566.1000110.1N36 T42 L44 Y48N36-L38 PolarHBondContact ND2-O 3.4Å; N36-L38 PolarHBondContact O-N 3.24Å; N36-L38 VanDerWaalsContact O-N 3.13Å; L38-T42 HydrophobicContact CD1-CG2 3.81Å; L38-L44 HydrophobicContact CD1-CD2 3.55Å; L38-L44 HydrophobicContact CD2-CD2 3.86Å; L38-L44 HydrophobicContact CG-CD2 3.89Å; L38-Y48 HydrophobicContact CD2-CE2 4.38Å; L38-Y48 WeakPolarHBondContact CD2-OH 3.43Å
39T89.5Confident86.4Confident63 Ų63112.3 Ų112.339%0.38761%0.612SS.*  trans-122167.3177.285.50000111.7N36 N41 T42N36-T39 WeakPolarHBondContact O-CG2 3.22Å; T39-N41 PolarHBondContact O-N 2.83Å; T39-N41 VanDerWaalsContact O-N 3.08Å; T39-N41 PolarHBondContact OG1-N 3.28Å; T39-N41 PolarHBondContact OG1-OD1 2.98Å; T39-T42 VanDerWaalsContact O-CB 3.29Å; T39-T42 WeakPolarHBondContact O-CB 3.29Å; T39-T42 PolarHBondContact O-N 3.46Å; T39-T42 PolarHBondContact O-OG1 2.94Å
40G90.3Very high87.3Confident92 Ų92111 Ų11195%0.94861%0.605SS**THydrogen-bonded Turntrans-63.8-11.6-179.100000115.7T42G40-T42 VanDerWaalsContact C-N 3.32Å
41N93.1Very high88.1Confident141 Ų141104.4 Ų104.475%0.75458%0.584SS**THydrogen-bonded Turntrans-81.4-12.9172.573.312.7000113.2T39T39-N41 PolarHBondContact O-N 2.83Å; T39-N41 VanDerWaalsContact O-N 3.08Å; T39-N41 PolarHBondContact OG1-N 3.28Å; T39-N41 PolarHBondContact OG1-OD1 2.98Å
42T92.7Very high88.9Confident40 Ų40103.3 Ų103.325%0.24558%0.579CS.*SBendtrans-86.6125.3-171.4-53.40000109.7L38 T39 G40 L44 H47L38-T42 HydrophobicContact CD1-CG2 3.81Å; T39-T42 VanDerWaalsContact O-CB 3.29Å; T39-T42 WeakPolarHBondContact O-CB 3.29Å; T39-T42 PolarHBondContact O-N 3.46Å; T39-T42 PolarHBondContact O-OG1 2.94Å; G40-T42 VanDerWaalsContact C-N 3.32Å; T42-L44 PolarHBondContact O-N 3.08Å; T42-H47 HydrophobicContact CG2-CB 4.23Å
43N93.3Very high89.5Confident90 Ų9098.4 Ų98.448%0.48156%0.559SS.*  trans-68.6100.5176.1-177-4000110.1I45 T46 H47N43-I45 PolarHBondContact O-N 3.04Å; N43-I45 WeakPolarHBondContact OD1-CB 3.27Å; N43-I45 PolarHBondContact OD1-N 3.19Å; N43-T46 PolarHBondContact ND2-OG1 2.66Å; N43-T46 PolarHBondContact O-N 3.13Å; N43-T46 VanDerWaalsContact O-N 3.13Å; N43-H47 WeakPolarHBondContact O-CB 3.44Å; N43-H47 PolarHBondContact O-N 3.3Å
44L93.8Very high90Very high87 Ų8798.6 Ų98.646%0.45555%0.545SS..Hα-helixtrans-59.3-28.7-179.1-56.3-173000113L38 T42 Y48L38-L44 HydrophobicContact CD1-CD2 3.55Å; L38-L44 HydrophobicContact CD2-CD2 3.86Å; L38-L44 HydrophobicContact CG-CD2 3.89Å; T42-L44 PolarHBondContact O-N 3.08Å; L44-Y48 HydrophobicContact CB-CD2 4.34Å; L44-Y48 HydrophobicContact CD2-CE2 4.4Å; L44-Y48 VanDerWaalsContact O-CD2 3.27Å; L44-Y48 WeakPolarHBondContact O-CD2 3.39Å; L44-Y48 PolarHBondContact O-N 2.94Å; L44-Y48 VanDerWaalsContact O-N 3.08Å
45I93.7Very high90.5Very high52 Ų5296.6 Ų96.627%0.26753%0.53SS..Hα-helixtrans-67.7-44.2178.6-53.4178.6000109.8N43 N49 L50 E51 Y54N43-I45 PolarHBondContact O-N 3.04Å; N43-I45 WeakPolarHBondContact OD1-CB 3.27Å; N43-I45 PolarHBondContact OD1-N 3.19Å; I45-N49 PolarHBondContact O-N 2.89Å; I45-L50 HydrophobicContact CG2-CB 4.06Å; I45-L50 PolarHBondContact O-N 3.08Å; I45-E51 HydrophobicContact CG2-CB 4.4Å; I45-E51 HydrophobicContact CG2-CG 3.88Å; I45-Y54 HydrophobicContact CD1-CD1 4.45Å; I45-Y54 HydrophobicContact CD1-CD2 3.88Å; I45-Y54 HydrophobicContact CD1-CE2 4.17Å; I45-Y54 HydrophobicContact CD1-CG 4.03Å; I45-Y54 HydrophobicContact CG2-CG 4.45Å
46T94.2Very high91.2Very high60 Ų60100 Ų10037%0.36853%0.526SS..Hα-helixtrans-70.3-46.8175.3-50.10000111.1N43 Y48 N49 E51N43-T46 PolarHBondContact ND2-OG1 2.66Å; N43-T46 PolarHBondContact O-N 3.13Å; N43-T46 VanDerWaalsContact O-N 3.13Å; T46-Y48 VanDerWaalsContact C-N 3.3Å; T46-Y48 PolarHBondContact O-N 3.08Å; T46-N49 PolarHBondContact O-N 2.83Å; T46-E51 VanDerWaalsContact CB-OE1 3.28Å; T46-E51 WeakPolarHBondContact CB-OE1 3.28Å; T46-E51 WeakPolarHBondContact CG2-OE1 3.22Å; T46-E51 PolarHBondContact OG1-OE1 3Å
47H94.4Very high91.3Very high93 Ų9399.4 Ų99.443%0.43152%0.517SS..Hα-helixtrans-55.6-41.5-178.7-178.3-88.1000113.1T42 N43T42-H47 HydrophobicContact CG2-CB 4.23Å; N43-H47 WeakPolarHBondContact O-CB 3.44Å; N43-H47 PolarHBondContact O-N 3.3Å
48Y94.8Very high91.6Very high130 Ų13094.1 Ų94.151%0.5150%0.501SS..THydrogen-bonded Turntrans-94.312176.7-64.2-65.4000113.9L38 L44 T46 L50L38-Y48 HydrophobicContact CD2-CE2 4.38Å; L38-Y48 WeakPolarHBondContact CD2-OH 3.43Å; L44-Y48 HydrophobicContact CB-CD2 4.34Å; L44-Y48 HydrophobicContact CD2-CE2 4.4Å; L44-Y48 VanDerWaalsContact O-CD2 3.27Å; L44-Y48 WeakPolarHBondContact O-CD2 3.39Å; L44-Y48 PolarHBondContact O-N 2.94Å; L44-Y48 VanDerWaalsContact O-N 3.08Å; T46-Y48 VanDerWaalsContact C-N 3.3Å; T46-Y48 PolarHBondContact O-N 3.08Å; Y48-L50 PolarHBondContact O-N 3.27Å
49N94.8Very high91.2Very high135 Ų13594.6 Ų94.672%0.72252%0.518SS*.THydrogen-bonded Turntrans5531-179.9-59.6-79.1000114.4I45 T46 E51I45-N49 PolarHBondContact O-N 2.89Å; T46-N49 PolarHBondContact O-N 2.83Å; N49-E51 VanDerWaalsContact C-N 3.32Å; N49-E51 PolarHBondContact O-N 2.78Å
50L95.3Very high90.8Very high89 Ų8998.9 Ų98.947%0.46653%0.531SS..  trans-86.22.8-176.5-60.3178.3000113.7I45 Y48 H52 A53 Y54I45-L50 HydrophobicContact CG2-CB 4.06Å; I45-L50 PolarHBondContact O-N 3.08Å; Y48-L50 PolarHBondContact O-N 3.27Å; L50-H52 VanDerWaalsContact C-N 3.31Å; L50-H52 PolarHBondContact O-N 2.59Å; L50-A53 WeakPolarHBondContact O-CA 3.36Å; L50-A53 WeakPolarHBondContact O-CB 3.44Å; L50-A53 PolarHBondContact O-N 3.02Å; L50-Y54 PolarHBondContact O-N 2.91Å
51E93.4Very high90.3Very high85 Ų85104.5 Ų104.540%0.39753%0.529SS..Hα-helixtrans-57.9-40.1-174.5-62.5178.8151.400112.7I45 T46 N49 N55I45-E51 HydrophobicContact CG2-CB 4.4Å; I45-E51 HydrophobicContact CG2-CG 3.88Å; T46-E51 VanDerWaalsContact CB-OE1 3.28Å; T46-E51 WeakPolarHBondContact CB-OE1 3.28Å; T46-E51 WeakPolarHBondContact CG2-OE1 3.22Å; T46-E51 PolarHBondContact OG1-OE1 3Å; N49-E51 VanDerWaalsContact C-N 3.32Å; N49-E51 PolarHBondContact O-N 2.78Å; E51-N55 VanDerWaalsContact O-CB 3.3Å; E51-N55 WeakPolarHBondContact O-CB 3.35Å; E51-N55 PolarHBondContact O-N 3.05Å; E51-N55 PolarHBondContact O-ND2 2.89Å
52H92.5Very high89.7Confident166 Ų166102.4 Ų102.477%0.76952%0.521SS*.Hα-helixtrans-65-37.6174-71.3-50.4000112.6L50 K56L50-H52 VanDerWaalsContact C-N 3.31Å; L50-H52 PolarHBondContact O-N 2.59Å; H52-K56 WeakPolarHBondContact O-CB 3.47Å; H52-K56 PolarHBondContact O-N 2.89Å
53A90.8Very high88.9Confident45 Ų45106.4 Ų106.437%0.37254%0.535SS..Hα-helixtrans-69.4-47177.300000111.1L50 N55 K56 F57L50-A53 WeakPolarHBondContact O-CA 3.36Å; L50-A53 WeakPolarHBondContact O-CB 3.44Å; L50-A53 PolarHBondContact O-N 3.02Å; A53-N55 PolarHBondContact O-N 2.95Å; A53-K56 PolarHBondContact O-N 3.28Å; A53-F57 VanDerWaalsContact O-CD2 3.27Å; A53-F57 WeakPolarHBondContact O-CD2 3.28Å; A53-F57 PolarHBondContact O-N 2.95Å
54Y90.9Very high88.3Confident121 Ų121111 Ų11148%0.47555%0.554SS.*Hα-helixtrans-57.1-50.8175.8179.7-99.8000111.8I45 L50 K56 F57 C58 G59I45-Y54 HydrophobicContact CD1-CD1 4.45Å; I45-Y54 HydrophobicContact CD1-CD2 3.88Å; I45-Y54 HydrophobicContact CD1-CE2 4.17Å; I45-Y54 HydrophobicContact CD1-CG 4.03Å; I45-Y54 HydrophobicContact CG2-CG 4.45Å; L50-Y54 PolarHBondContact O-N 2.91Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 3.2Å; Y54-F57 PolarHBondContact O-N 3.47Å; Y54-C58 HydrophobicContact CD2-CB 3.64Å; Y54-C58 HydrophobicContact CE2-CB 3.62Å; Y54-C58 HydrophobicContact CG-CB 4.26Å; Y54-C58 WeakPolarHBondContact O-CA 3.32Å; Y54-C58 VanDerWaalsContact O-CB 3.28Å; Y54-C58 WeakPolarHBondContact O-CB 3.42Å; Y54-C58 PolarHBondContact O-N 3.2Å; Y54-G59 PolarHBondContact O-N 3.37Å
55N91.2Very high87.9Confident101 Ų101112.6 Ų112.654%0.5456%0.557SS.*Hα-helixtrans-64.2-33.6178.4-75.6-46.1000113.1E51 A53E51-N55 VanDerWaalsContact O-CB 3.3Å; E51-N55 WeakPolarHBondContact O-CB 3.35Å; E51-N55 PolarHBondContact O-N 3.05Å; E51-N55 PolarHBondContact O-ND2 2.89Å; A53-N55 PolarHBondContact O-N 2.95Å
56K87.8Confident87.5Confident140 Ų140114.3 Ų114.361%0.60957%0.566SS**Hα-helixtrans-72.5-40.3179.2-178.3175.3176.9-177.70113H52 A53 Y54H52-K56 WeakPolarHBondContact O-CB 3.47Å; H52-K56 PolarHBondContact O-N 2.89Å; A53-K56 PolarHBondContact O-N 3.28Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 3.2Å
57F85Confident87.2Confident112 Ų112113.2 Ų113.249%0.49156%0.561SS.*Hα-helixtrans-111.2-34.1-168.7-62.2-66.7000114.8A53 Y54A53-F57 VanDerWaalsContact O-CD2 3.27Å; A53-F57 WeakPolarHBondContact O-CD2 3.28Å; A53-F57 PolarHBondContact O-N 2.95Å; Y54-F57 PolarHBondContact O-N 3.47Å
58C84.3Confident86.8Confident85 Ų85111.7 Ų111.757%0.57456%0.556SS**THydrogen-bonded Turntrans-91.3-28.2-179.3-57.10000112.8Y54 K60Y54-C58 HydrophobicContact CD2-CB 3.64Å; Y54-C58 HydrophobicContact CE2-CB 3.62Å; Y54-C58 HydrophobicContact CG-CB 4.26Å; Y54-C58 WeakPolarHBondContact O-CA 3.32Å; Y54-C58 VanDerWaalsContact O-CB 3.28Å; Y54-C58 WeakPolarHBondContact O-CB 3.42Å; Y54-C58 PolarHBondContact O-N 3.2Å; C58-K60 PolarHBondContact O-N 3.49Å; C58-K60 VanDerWaalsContact O-N 3.16Å
59G79.3Confident86.5Confident59 Ų59111.2 Ų111.261%0.60856%0.557SS**SBendtrans-71.7-1.1179.200000115.7Y54Y54-G59 PolarHBondContact O-N 3.37Å
60K81.9Confident86.2Confident154 Ų154108.1 Ų108.167%0.6754%0.54SS*.SBendtrans-140.3150.9-176.4-64.6174.3-173.1168.10109.6C58 V62C58-K60 PolarHBondContact O-N 3.49Å; C58-K60 VanDerWaalsContact O-N 3.16Å; K60-V62 PolarHBondContact O-N 3.35Å; K60-V62 VanDerWaalsContact O-N 3.08Å
61K78.5Confident85.6Confident209 Ų209108.9 Ų108.991%0.90955%0.551SS**  trans-59.5117.1170.1-67.6-167.4176.6-168.90109.1
62V80.5Confident85.2Confident97 Ų97113.9 Ų113.959%0.58857%0.574SS**  trans-60.7137.9177.8178.50000108.8K60 E64K60-V62 PolarHBondContact O-N 3.35Å; K60-V62 VanDerWaalsContact O-N 3.08Å; V62-E64 PolarHBondContact O-N 3.35Å
63K76.8Confident84.9Confident124 Ų124110.4 Ų110.454%0.53956%0.56SS.*  trans-78.9109.6172.2-63.2-171.8-174177.50107.8N68 F69K63-N68 HydrophobicContact CB-CB 3.66Å; K63-N68 HydrophobicContact CD-CB 3.48Å; K63-N68 VanDerWaalsContact CD-CB 3.48Å; K63-N68 HydrophobicContact CG-CB 4.25Å; K63-F69 HydrophobicContact CB-CZ 4.46Å; K63-F69 WeakPolarHBondContact O-CE2 3.39Å; K63-F69 WeakPolarHBondContact O-CZ 3.27Å
64E79.9Confident84.4Confident186 Ų186112.4 Ų112.487%0.86957%0.569SS**  trans-73.4-30.4-169.8-66165.8-177.900114.3V62V62-E64 PolarHBondContact O-N 3.35Å
65K86.1Confident83.8Confident122 Ų122107.1 Ų107.153%0.5355%0.552SS.*SBendtrans-84.1137.8-174.9-61.3179.7155.8-1240112.6S67 N68 D78K65-S67 PolarHBondContact O-N 3.42Å; K65-N68 WeakPolarHBondContact CB-ND2 3.44Å; K65-N68 VanDerWaalsContact O-CB 3.26Å; K65-N68 WeakPolarHBondContact O-CB 3.42Å; K65-N68 PolarHBondContact O-N 2.82Å; K65-N68 PolarHBondContact O-ND2 2.95Å; K65-D78 WeakPolarHBondContact CB-OD1 3.21Å; K65-D78 WeakPolarHBondContact CD-OD2 3.3Å; K65-D78 IonicContact NZ-OD2 3.08Å
66L85.4Confident83.2Confident87 Ų87107.3 Ų107.346%0.45555%0.551SS.*G310 helixtrans-58.6-35.6179.7-174.658.7000112.4N68 F69 L70 I77 D78L66-N68 PolarHBondContact O-N 3.16Å; L66-F69 PolarHBondContact O-N 2.75Å; L66-L70 HydrophobicContact CD1-CD1 3.98Å; L66-L70 HydrophobicContact CD1-CG 4.27Å; L66-L70 HydrophobicContact CD2-CD1 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.92Å; L66-L70 HydrophobicContact CG-CG 4.44Å; L66-L70 PolarHBondContact O-N 3.23Å; L66-L70 VanDerWaalsContact O-N 3.08Å; L66-I77 HydrophobicContact CG-CD1 4.46Å; L66-D78 PolarHBondContact N-OD1 2.86Å; L66-D78 VanDerWaalsContact N-OD1 3.11Å
67S86.9Confident83Confident37 Ų37102.5 Ų102.526%0.25953%0.531SS..G310 helixtrans-55.7-17.8173.3590000115.3K65 D78K65-S67 PolarHBondContact O-N 3.42Å; S67-D78 VanDerWaalsContact CB-OD1 3.3Å; S67-D78 WeakPolarHBondContact CB-OD1 3.26Å; S67-D78 PolarHBondContact N-OD1 3.37Å; S67-D78 VanDerWaalsContact OG-CG 3.25Å; S67-D78 PolarHBondContact OG-OD1 2.96Å; S67-D78 PolarHBondContact OG-OD2 3.22Å
68N87.3Confident82.9Confident62 Ų62100.1 Ų100.133%0.33252%0.524SS..G310 helixtrans-81.5-21.8173.7-68.2-70.4000114.7K63 K65 L66K63-N68 HydrophobicContact CB-CB 3.66Å; K63-N68 HydrophobicContact CD-CB 3.48Å; K63-N68 VanDerWaalsContact CD-CB 3.48Å; K63-N68 HydrophobicContact CG-CB 4.25Å; K65-N68 WeakPolarHBondContact CB-ND2 3.44Å; K65-N68 VanDerWaalsContact O-CB 3.26Å; K65-N68 WeakPolarHBondContact O-CB 3.42Å; K65-N68 PolarHBondContact O-N 2.82Å; K65-N68 PolarHBondContact O-ND2 2.95Å; L66-N68 PolarHBondContact O-N 3.16Å
69F87.6Confident82.8Confident119 Ų11999.3 Ų99.352%0.52252%0.518SS..THydrogen-bonded Turntrans-98.8-25178.9-58.5-78000111.7K63 L66 P71K63-F69 HydrophobicContact CB-CZ 4.46Å; K63-F69 WeakPolarHBondContact O-CE2 3.39Å; K63-F69 WeakPolarHBondContact O-CZ 3.27Å; L66-F69 PolarHBondContact O-N 2.75Å; F69-P71 WeakPolarHBondContact O-CD 3.37Å
70L89.1Confident82.6Confident71 Ų7199.7 Ų99.737%0.37251%0.51SS..  trans-114.560.1175.7-56.3178.6000111.2L66 E72 L73 I77L66-L70 HydrophobicContact CD1-CD1 3.98Å; L66-L70 HydrophobicContact CD1-CG 4.27Å; L66-L70 HydrophobicContact CD2-CD1 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.92Å; L66-L70 HydrophobicContact CG-CG 4.44Å; L66-L70 PolarHBondContact O-N 3.23Å; L66-L70 VanDerWaalsContact O-N 3.08Å; L70-E72 PolarHBondContact O-N 3.4Å; L70-L73 HydrophobicContact CB-CB 4.02Å; L70-L73 HydrophobicContact CD1-CD1 4.47Å; L70-L73 PolarHBondContact O-N 3.32Å; L70-I77 HydrophobicContact CB-CD1 3.61Å; L70-I77 HydrophobicContact CD1-CD1 4.11Å; L70-I77 HydrophobicContact CG-CD1 4.41Å
71P83.4Confident82Confident105 Ų10593.7 Ų93.768%0.68249%0.492SS*.THydrogen-bonded Turntrans-68.4-17.3-17330.4-37.6000114.2F69F69-P71 WeakPolarHBondContact O-CD 3.37Å
72E84.9Confident81.6Confident189 Ų18989.2 Ų89.288%0.88348%0.483SS*.THydrogen-bonded Turntrans-95-12.5179.8-65-179.7178.700112.8L70 P74L70-E72 PolarHBondContact O-N 3.4Å; E72-P74 WeakPolarHBondContact O-CD 3.11Å
73L85.2Confident81.2Confident94 Ų9492.1 Ų92.149%0.49249%0.489SS..SBendtrans-84.8118.6-176.5-151.3139.9000109.9L70 I77L70-L73 HydrophobicContact CB-CB 4.02Å; L70-L73 HydrophobicContact CD1-CD1 4.47Å; L70-L73 PolarHBondContact O-N 3.32Å; L73-I77 HydrophobicContact CD2-CG2 3.58Å
74P80.7Confident81Confident86 Ų8691.4 Ų91.456%0.55849%0.492SS*.  trans-73.9156.1-177.530.8-35.4000112.1E72 Q130E72-P74 WeakPolarHBondContact O-CD 3.11Å; P74-Q130 HydrophobicContact CB-CG 4.29Å
75G77.7Confident80.6Confident10 Ų1085 Ų8510%0.10348%0.476CS..SBendtrans100.2-173.6174.500000114.8I77 M127G75-I77 PolarHBondContact O-N 3Å; G75-M127 WeakPolarHBondContact CA-O 3.45Å
76M79Confident80.1Confident105 Ų10583 Ų8352%0.51748%0.477SS..  trans-91.567.7-175.9-74.7-177.445.100112.6D78 C79M76-D78 VanDerWaalsContact C-N 3.26Å; M76-D78 PolarHBondContact O-N 3.08Å; M76-C79 PolarHBondContact O-SG 3.38Å; M76-C79 VanDerWaalsContact O-SG 3.33Å
77I83.4Confident80.1Confident39 Ų3980.7 Ų80.720%0.247%0.468CS..THydrogen-bonded Turntrans-77-3.4-174.459.4164.9000115.5L66 L70 L73 G75 C79L66-I77 HydrophobicContact CG-CD1 4.46Å; L70-I77 HydrophobicContact CB-CD1 3.61Å; L70-I77 HydrophobicContact CD1-CD1 4.11Å; L70-I77 HydrophobicContact CG-CD1 4.41Å; L73-I77 HydrophobicContact CD2-CG2 3.58Å; G75-I77 PolarHBondContact O-N 3Å; I77-C79 VanDerWaalsContact C-N 3.3Å
78D84.1Confident80.1Confident62 Ų6285.1 Ų85.133%0.33249%0.488SS..THydrogen-bonded Turntrans-87.13.5176.1-68.3-25.5000113.1K65 L66 S67 M76K65-D78 WeakPolarHBondContact CB-OD1 3.21Å; K65-D78 WeakPolarHBondContact CD-OD2 3.3Å; K65-D78 IonicContact NZ-OD2 3.08Å; L66-D78 PolarHBondContact N-OD1 2.86Å; L66-D78 VanDerWaalsContact N-OD1 3.11Å; S67-D78 VanDerWaalsContact CB-OD1 3.3Å; S67-D78 WeakPolarHBondContact CB-OD1 3.26Å; S67-D78 PolarHBondContact N-OD1 3.37Å; S67-D78 VanDerWaalsContact OG-CG 3.25Å; S67-D78 PolarHBondContact OG-OD1 2.96Å; S67-D78 PolarHBondContact OG-OD2 3.22Å; M76-D78 VanDerWaalsContact C-N 3.26Å; M76-D78 PolarHBondContact O-N 3.08Å
79C80.4Confident80.1Confident68 Ų6889.6 Ų89.646%0.45950%0.5SS..SBendtrans-77.7132.3179.1-61.30000111M76 I77 G81M76-C79 PolarHBondContact O-SG 3.38Å; M76-C79 VanDerWaalsContact O-SG 3.33Å; I77-C79 VanDerWaalsContact C-N 3.3Å; C79-G81 PolarHBondContact O-N 3.03Å
80P75.6Confident80Confident67 Ų6786.8 Ų86.844%0.43550%0.496SS..  trans-75.6120.8-179.528.9-32.2000111.4T82 Q83P80-T82 PolarHBondContact O-N 3.08Å; P80-Q83 HydrophobicContact CG-CG 4.11Å; P80-Q83 PolarHBondContact O-N 3.34Å; P80-Q83 VanDerWaalsContact O-N 3.09Å
81G69.4Low79.9Confident29 Ų2988 Ų8830%0.29950%0.502SS..THydrogen-bonded Turntrans-66.815.4179.300000116.3C79 D84 S86 S87C79-G81 PolarHBondContact O-N 3.03Å; G81-D84 VanDerWaalsContact C-OD1 3.22Å; G81-D84 VanDerWaalsContact CA-OD1 3.26Å; G81-D84 WeakPolarHBondContact CA-OD1 3.3Å; G81-S86 PolarHBondContact O-N 3.09Å; G81-S87 WeakPolarHBondContact O-CB 3.02Å; G81-S87 PolarHBondContact O-N 2.87Å
82T70.6Confident80.1Confident115 Ų11588.4 Ų88.471%0.70650%0.497SS*.THydrogen-bonded Turntrans-86.4-17.2164.8270000112.5P80P80-T82 PolarHBondContact O-N 3.08Å
83Q71.8Confident80.3Confident157 Ų15783.7 Ų83.773%0.73448%0.478SS*.SBendtrans-78.7-25.1-176.8-68.7-179.4-1300113.6P80P80-Q83 HydrophobicContact CG-CG 4.11Å; P80-Q83 PolarHBondContact O-N 3.34Å; P80-Q83 VanDerWaalsContact O-N 3.09Å
84D72.5Confident80.4Confident110 Ų11087.1 Ų87.159%0.58849%0.489SS*.SBendtrans-1160.4-175.763.7-25.6000112.8G81 S86G81-D84 VanDerWaalsContact C-OD1 3.22Å; G81-D84 VanDerWaalsContact CA-OD1 3.26Å; G81-D84 WeakPolarHBondContact CA-OD1 3.3Å; D84-S86 PolarHBondContact O-N 3.33Å; D84-S86 PolarHBondContact OD1-N 3.41Å; D84-S86 PolarHBondContact OD1-OG 3.32Å; D84-S86 WeakPolarHBondContact OD2-CB 3.47Å; D84-S86 PolarHBondContact OD2-OG 3Å
85G72.3Confident80.5Confident52 Ų5287.5 Ų87.554%0.53649%0.492SS..SBendtrans745.6-178.800000115.1S87G85-S87 VanDerWaalsContact C-N 3.27Å; G85-S87 PolarHBondContact O-N 3.27Å
86S75.3Confident80.6Confident80 Ų8090.7 Ų90.756%0.55951%0.51SS*.  trans-80.60.4-174.1690000114.9G81 D84 L88G81-S86 PolarHBondContact O-N 3.09Å; D84-S86 PolarHBondContact O-N 3.33Å; D84-S86 PolarHBondContact OD1-N 3.41Å; D84-S86 PolarHBondContact OD1-OG 3.32Å; D84-S86 WeakPolarHBondContact OD2-CB 3.47Å; D84-S86 PolarHBondContact OD2-OG 3Å; S86-L88 PolarHBondContact O-N 3.34Å
87S83.8Confident80.6Confident37 Ų3793 Ų9326%0.25953%0.53SS..  trans-56.3131.7-17672.40000113.7G81 G85 R89 S90G81-S87 WeakPolarHBondContact O-CB 3.02Å; G81-S87 PolarHBondContact O-N 2.87Å; G85-S87 VanDerWaalsContact C-N 3.27Å; G85-S87 PolarHBondContact O-N 3.27Å; S87-R89 PolarHBondContact O-N 2.66Å; S87-R89 VanDerWaalsContact O-N 3.08Å; S87-S90 WeakPolarHBondContact O-CB 3.26Å; S87-S90 PolarHBondContact O-N 2.97Å; S87-S90 PolarHBondContact OG-N 3.36Å
88L87.3Confident79.7Confident131 Ų13194.2 Ų94.269%0.68654%0.541SS*.Hα-helixtrans-53.4-28.2169-83.5169.1000112.8S86 L91 I92S86-L88 PolarHBondContact O-N 3.34Å; L88-L91 HydrophobicContact CD2-CD2 4.32Å; L88-L91 WeakPolarHBondContact O-CB 3.22Å; L88-L91 PolarHBondContact O-N 3.4Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.02Å
89R87.5Confident79.1Confident155 Ų15594 Ų9459%0.58555%0.553SS**Hα-helixtrans-63.1-41.5178-17267.9-155-169.97111.8S87 L91 I92 D93S87-R89 PolarHBondContact O-N 2.66Å; S87-R89 VanDerWaalsContact O-N 3.08Å; R89-L91 VanDerWaalsContact C-N 3.29Å; R89-L91 PolarHBondContact O-N 2.83Å; R89-I92 PolarHBondContact O-N 3.11Å; R89-D93 WeakPolarHBondContact CG-OD2 3.49Å; R89-D93 IonicContact CZ-OD1 2.66Å; R89-D93 IonicContact CZ-OD2 3.67Å; R89-D93 VanDerWaalsContact NE-CG 3.29Å; R89-D93 IonicContact NE-OD1 3.19Å; R89-D93 PolarHBondContact NE-OD1 3.27Å; R89-D93 VanDerWaalsContact NE-OD1 3.08Å; R89-D93 IonicContact NE-OD2 3.68Å; R89-D93 PolarHBondContact NE-OD2 3.15Å; R89-D93 IonicContact NH2-OD1 2.83Å; R89-D93 PolarHBondContact NH2-OD1 3.04Å; R89-D93 IonicContact NH2-OD2 3.57Å; R89-D93 WeakPolarHBondContact O-CB 3.47Å; R89-D93 PolarHBondContact O-N 3Å
90S86.6Confident78.6Confident61 Ų6199.3 Ų99.343%0.42758%0.578SS.*Hα-helixtrans-58.2-42.6173.9-169.30000111.7S87 K94S87-S90 WeakPolarHBondContact O-CB 3.26Å; S87-S90 PolarHBondContact O-N 2.97Å; S87-S90 PolarHBondContact OG-N 3.36Å; S90-K94 PolarHBondContact O-N 3.05Å
91L85.9Confident78.8Confident97 Ų97100.5 Ų100.551%0.50859%0.587SS.*Hα-helixtrans-66.7-35.1177.7-166.877.1000112.9L88 R89 K94 P95 P96L88-L91 HydrophobicContact CD2-CD2 4.32Å; L88-L91 WeakPolarHBondContact O-CB 3.22Å; L88-L91 PolarHBondContact O-N 3.4Å; R89-L91 VanDerWaalsContact C-N 3.29Å; R89-L91 PolarHBondContact O-N 2.83Å; L91-K94 CarbonylContact O-C 3.37Å; L91-P95 WeakPolarHBondContact O-CA 3.19Å; L91-P96 HydrophobicContact CD1-CG 3.87Å
92I88.5Confident79.4Confident113 Ų113107.6 Ų107.658%0.57961%0.61SS**Hα-helixtrans-75.2-43.5177.7-67.6163.2000111.2L88 R89 K94L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.02Å; R89-I92 PolarHBondContact O-N 3.11Å; I92-K94 VanDerWaalsContact C-N 3.34Å
93D88.7Confident80Confident90 Ų90107.4 Ų107.448%0.48161%0.614SS.*Hα-helixtrans-74.5-27-178.7-70-30000112.4R89R89-D93 WeakPolarHBondContact CG-OD2 3.49Å; R89-D93 IonicContact CZ-OD1 2.66Å; R89-D93 IonicContact CZ-OD2 3.67Å; R89-D93 VanDerWaalsContact NE-CG 3.29Å; R89-D93 IonicContact NE-OD1 3.19Å; R89-D93 PolarHBondContact NE-OD1 3.27Å; R89-D93 VanDerWaalsContact NE-OD1 3.08Å; R89-D93 IonicContact NE-OD2 3.68Å; R89-D93 PolarHBondContact NE-OD2 3.15Å; R89-D93 IonicContact NH2-OD1 2.83Å; R89-D93 PolarHBondContact NH2-OD1 3.04Å; R89-D93 IonicContact NH2-OD2 3.57Å; R89-D93 WeakPolarHBondContact O-CB 3.47Å; R89-D93 PolarHBondContact O-N 3Å
94K86.3Confident80.7Confident166 Ų166105.5 Ų105.572%0.72262%0.615SS**SBendtrans-134.476.7176.1-64.9-176.9-178.7179.20109.3S90 L91 I92S90-K94 PolarHBondContact O-N 3.05Å; L91-K94 CarbonylContact O-C 3.37Å; I92-K94 VanDerWaalsContact C-N 3.34Å
95P82.9Confident81.4Confident94 Ų94105.4 Ų105.461%0.6161%0.614SS**  trans-58.6127175.824.8-33.2000108.8L91L91-P95 WeakPolarHBondContact O-CA 3.19Å
96P80.7Confident82.3Confident76 Ų76107.3 Ų107.349%0.49462%0.615SS.*  trans-60.6143.917525.6-33.4000108.6L91 C98L91-P96 HydrophobicContact CD1-CG 3.87Å; P96-C98 PolarHBondContact O-N 3.39Å
97V79.4Confident83Confident153 Ų153106.3 Ų106.393%0.92762%0.618SS**  trans-75.865.9177.1-1690000109.3
98C64.2Low83.2Confident65 Ų65108.1 Ų108.144%0.43964%0.635SS.*  trans-75.4131.8164.3-63.40000107.7P96P96-C98 PolarHBondContact O-N 3.39Å
99G70.4Confident83.2Confident57 Ų57104.2 Ų104.259%0.58862%0.618SS**  trans-68.2-166.9163.600000111.1S101G99-S101 PolarHBondContact O-N 3.4Å
100N70.9Confident83.4Confident181 Ų181101.1 Ų101.197%0.96861%0.613SS**SBendtrans-64.5-1.6-172.9-60.530.4000115.3
101S79.4Confident83.4Confident91 Ų91102 Ų10264%0.63662%0.616SS**SBendtrans-153.6156.9176.260.60000112.9G99G99-S101 PolarHBondContact O-N 3.4Å
102F82.7Confident83.4Confident179 Ų179100.7 Ų100.779%0.78563%0.626SS**PPolyproline II helixtrans-84.2125.3166.8-63.8-80.7000109.8
103S83.4Confident83.5Confident111 Ų111102.2 Ų102.278%0.77663%0.629SS**PPolyproline II helixtrans-74.7126.6170.1-630000110.1
104P86.2Confident83.5Confident116 Ų116107 Ų10775%0.75364%0.64SS**PPolyproline II helixtrans-65.4146.5175.327.7-34.1000111.1T106P104-T106 PolarHBondContact O-N 3.34Å
105L87.5Confident83.5Confident108 Ų108107.2 Ų107.257%0.56565%0.648SS**PPolyproline II helixtrans-62.1124.8176-69.5178.9000110.5S109 L110 F113L105-S109 WeakPolarHBondContact CB-OG 3.4Å; L105-L110 HydrophobicContact CB-CD2 3.97Å; L105-L110 HydrophobicContact CB-CG 4.27Å; L105-L110 HydrophobicContact CD1-CD2 4.07Å; L105-F113 HydrophobicContact CD1-CE2 4Å; L105-F113 HydrophobicContact CD1-CZ 4.08Å
106T90.4Very high83.5Confident93 Ų93111.6 Ų111.657%0.57166%0.66SS**PPolyproline II helixtrans-71.3155.7177650000111P104 A108 S109 L110P104-T106 PolarHBondContact O-N 3.34Å; T106-A108 PolarHBondContact O-N 3.08Å; T106-A108 VanDerWaalsContact O-N 3.08Å; T106-S109 PolarHBondContact N-OG 3.16Å; T106-S109 WeakPolarHBondContact O-CA 3.49Å; T106-S109 PolarHBondContact O-N 2.9Å; T106-S109 PolarHBondContact O-OG 3.41Å; T106-S109 PolarHBondContact OG1-N 3.21Å; T106-L110 PolarHBondContact O-N 3.07Å
107G90Very high83.8Confident59 Ų59115.1 Ų115.161%0.60868%0.68SS**THydrogen-bonded Turntrans-54.8-31.1179.100000114.2L110G107-L110 PolarHBondContact O-N 3.33Å
108A88.9Confident84.3Confident75 Ų75110.9 Ų110.962%0.6267%0.667SS**THydrogen-bonded Turntrans-65.8-47.2171.700000112.2T106 L110 T111T106-A108 PolarHBondContact O-N 3.08Å; T106-A108 VanDerWaalsContact O-N 3.08Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 3.25Å; A108-T111 WeakPolarHBondContact O-CB 3.34Å; A108-T111 WeakPolarHBondContact O-CG2 3.47Å; A108-T111 PolarHBondContact O-N 3.33Å; A108-T111 VanDerWaalsContact O-N 3.13Å; A108-T111 PolarHBondContact O-OG1 3.27Å
109S87.6Confident85.3Confident49 Ų49114 Ų11434%0.34369%0.687SS.*G310 helixtrans-64.1-2917668.80000113.3L105 T106 T111 G112L105-S109 WeakPolarHBondContact CB-OG 3.4Å; T106-S109 PolarHBondContact N-OG 3.16Å; T106-S109 WeakPolarHBondContact O-CA 3.49Å; T106-S109 PolarHBondContact O-N 2.9Å; T106-S109 PolarHBondContact O-OG 3.41Å; T106-S109 PolarHBondContact OG1-N 3.21Å; S109-T111 PolarHBondContact O-N 3.01Å; S109-G112 PolarHBondContact O-N 2.74Å
110L90.8Very high86Confident89 Ų89115.5 Ų115.547%0.46668%0.681SS.*G310 helixtrans-68.7-17.2175-68177.2000113.9L105 T106 G107 A108 G112 F113L105-L110 HydrophobicContact CB-CD2 3.97Å; L105-L110 HydrophobicContact CB-CG 4.27Å; L105-L110 HydrophobicContact CD1-CD2 4.07Å; T106-L110 PolarHBondContact O-N 3.07Å; G107-L110 PolarHBondContact O-N 3.33Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 3.25Å; L110-G112 PolarHBondContact O-N 3.48Å; L110-F113 HydrophobicContact CD2-CD2 4.3Å; L110-F113 PolarHBondContact O-N 3.18Å; L110-F113 VanDerWaalsContact O-N 3.14Å
111T87.3Confident86.7Confident80 Ų80110.3 Ų110.349%0.49166%0.657SS.*G310 helixtrans-62.7-29.6177.7630000113.2A108 S109 F113 R114A108-T111 WeakPolarHBondContact O-CB 3.34Å; A108-T111 WeakPolarHBondContact O-CG2 3.47Å; A108-T111 PolarHBondContact O-N 3.33Å; A108-T111 VanDerWaalsContact O-N 3.13Å; A108-T111 PolarHBondContact O-OG1 3.27Å; S109-T111 PolarHBondContact O-N 3.01Å; T111-F113 PolarHBondContact O-N 3.27Å; T111-R114 WeakPolarHBondContact O-CB 3.48Å; T111-R114 WeakPolarHBondContact O-CG 3.4Å; T111-R114 PolarHBondContact O-N 3.25Å
112G86.3Confident86.7Confident70 Ų70112.6 Ų112.672%0.72266%0.658SS**G310 helixtrans-70.1-12.6176.800000114.8S109 L110S109-G112 PolarHBondContact O-N 2.74Å; L110-G112 PolarHBondContact O-N 3.48Å
113F89.3Confident86.5Confident145 Ų145111.3 Ų111.364%0.63665%0.654SS**G310 helixtrans-91.82.9176.6-63.7-96.2000112.9L105 L110 T111 L115L105-F113 HydrophobicContact CD1-CE2 4Å; L105-F113 HydrophobicContact CD1-CZ 4.08Å; L110-F113 HydrophobicContact CD2-CD2 4.3Å; L110-F113 PolarHBondContact O-N 3.18Å; L110-F113 VanDerWaalsContact O-N 3.14Å; T111-F113 PolarHBondContact O-N 3.27Å; F113-L115 PolarHBondContact O-N 3.28Å
114R88.9Confident86.2Confident191 Ų191111.7 Ų111.772%0.72164%0.64SS**  trans-70.8114176-69.5174.6175.6-92.4-0.4109.7T111T111-R114 WeakPolarHBondContact O-CB 3.48Å; T111-R114 WeakPolarHBondContact O-CG 3.4Å; T111-R114 PolarHBondContact O-N 3.25Å
115L85.7Confident85.8Confident170 Ų170112.7 Ų112.789%0.8963%0.628SS**PPolyproline II helixtrans-71131.3176.6-59.5179.2000110.7F113F113-L115 PolarHBondContact O-N 3.28Å
116H84.4Confident85Confident185 Ų185112.3 Ų112.386%0.85663%0.626SS**PPolyproline II helixtrans-77.3143.8166.8-65.3-75.7000110.4
117T87.1Confident83.8Confident150 Ų150113.8 Ų113.892%0.9263%0.628SS**SBendtrans-68130.9173.9500000110.8
118G88.3Confident82.6Confident64 Ų64118 Ų11866%0.6663%0.632SS**SBendtrans162.3176.6177.700000111.9
119P86.6Confident81.5Confident131 Ų131118.6 Ų118.685%0.85162%0.624SS**PPolyproline II helixtrans-66.5133.617228.7-33.5000110.4
120L83.6Confident80.2Confident89 Ų89121.6 Ų121.647%0.46663%0.632SS.*PPolyproline II helixtrans-60.3131.7175.4-174.371.9000110.1
121P85.9Confident78.7Confident72 Ų72121 Ų12147%0.46863%0.634SS.*PPolyproline II helixtrans-54.4144.5179.3-25.733.2000112.3Q123 Y124 R125P121-Q123 PolarHBondContact O-N 2.9Å; P121-Q123 VanDerWaalsContact O-N 3.09Å; P121-Y124 HydrophobicContact CB-CD2 3.88Å; P121-Y124 HydrophobicContact CB-CE2 4.18Å; P121-Y124 HydrophobicContact CG-CD2 4.1Å; P121-Y124 HydrophobicContact CG-CE2 4.31Å; P121-Y124 PolarHBondContact O-N 3.19Å; P121-R125 PolarHBondContact O-N 3.32Å
122E80.1Confident77.3Confident138 Ų138122.8 Ų122.865%0.64565%0.647SS**Hα-helixtrans-51.9-41.7-168.7173.1154.3-126.800113.8Y124 R125E122-Y124 PolarHBondContact O-N 3.32Å; E122-R125 VanDerWaalsContact CD-NH2 3.32Å; E122-R125 WeakPolarHBondContact O-CB 3.47Å; E122-R125 PolarHBondContact O-N 3.15Å; E122-R125 VanDerWaalsContact O-N 3.14Å; E122-R125 IonicContact OE1-CZ 3.82Å; E122-R125 IonicContact OE1-NH2 2.66Å; E122-R125 PolarHBondContact OE1-NH2 3.5Å
123Q78.5Confident76Confident152 Ų152127.8 Ų127.871%0.7165%0.648SS**Hα-helixtrans-52.4-39.7178.9-61.8167.6-37.700112.8P121P121-Q123 PolarHBondContact O-N 2.9Å; P121-Q123 VanDerWaalsContact O-N 3.09Å
124Y77.9Confident74.6Confident120 Ų120130.7 Ų130.747%0.47166%0.661SS.*Hα-helixtrans-91.6-10.5-175.4-51.5-63.8000113.4P121 E122 L126 M127P121-Y124 HydrophobicContact CB-CD2 3.88Å; P121-Y124 HydrophobicContact CB-CE2 4.18Å; P121-Y124 HydrophobicContact CG-CD2 4.1Å; P121-Y124 HydrophobicContact CG-CE2 4.31Å; P121-Y124 PolarHBondContact O-N 3.19Å; E122-Y124 PolarHBondContact O-N 3.32Å; Y124-L126 PolarHBondContact O-N 2.99Å; Y124-M127 HydrophobicContact CD1-SD 4.35Å; Y124-M127 PolarHBondContact O-N 3.48Å
125R77.2Confident72.9Confident136 Ų136130.9 Ų130.951%0.51367%0.667SS.*Hα-helixtrans-60.5-34.6178.5-62.5-166.4-63.9-167.2-1.3112.3P121 E122P121-R125 PolarHBondContact O-N 3.32Å; E122-R125 VanDerWaalsContact CD-NH2 3.32Å; E122-R125 WeakPolarHBondContact O-CB 3.47Å; E122-R125 PolarHBondContact O-N 3.15Å; E122-R125 VanDerWaalsContact O-N 3.14Å; E122-R125 IonicContact OE1-CZ 3.82Å; E122-R125 IonicContact OE1-NH2 2.66Å; E122-R125 PolarHBondContact OE1-NH2 3.5Å
126L70Confident71.3Confident101 Ų101127.7 Ų127.753%0.52966%0.659SS.*THydrogen-bonded Turntrans-79.9-25-173.5-58-178.9000113.7Y124 H128 I129Y124-L126 PolarHBondContact O-N 2.99Å; L126-H128 VanDerWaalsContact C-N 3.26Å; L126-H128 PolarHBondContact O-N 2.71Å; L126-I129 HydrophobicContact CD2-CD1 3.62Å; L126-I129 PolarHBondContact O-N 3.02Å; L126-I129 VanDerWaalsContact O-N 3.09Å
127M65.1Low69.8Low123 Ų123128 Ų12861%0.60666%0.658SS**THydrogen-bonded Turntrans-61.9-32.8-174.8-63.3-164.978.200113.3G75 Y124G75-M127 WeakPolarHBondContact CA-O 3.45Å; Y124-M127 HydrophobicContact CD1-SD 4.35Å; Y124-M127 PolarHBondContact O-N 3.48Å
128H64.5Low68.2Low148 Ų148129.1 Ų129.169%0.68565%0.652SS**THydrogen-bonded Turntrans-87.2-6.3-179.8-60.399.6000113.9L126 Q130L126-H128 VanDerWaalsContact C-N 3.26Å; L126-H128 PolarHBondContact O-N 2.71Å; H128-Q130 PolarHBondContact O-N 3.49Å; H128-Q130 VanDerWaalsContact O-N 3.09Å
129I66.9Low66.3Low88 Ų88135.7 Ų135.745%0.45166%0.662SS.*  trans-75.2107.2-176.7-59.9-176.4000108.9L126L126-I129 HydrophobicContact CD2-CD1 3.62Å; L126-I129 PolarHBondContact O-N 3.02Å; L126-I129 VanDerWaalsContact O-N 3.09Å
130Q59.4Low64.5Low112 Ų112138.2 Ų138.252%0.52366%0.663SS.*  trans-56.2132.5169.5-68.3-174.17.500109.4P74 H128P74-Q130 HydrophobicContact CB-CG 4.29Å; H128-Q130 PolarHBondContact O-N 3.49Å; H128-Q130 VanDerWaalsContact O-N 3.09Å
131P59.4Low62.5Low76 Ų76143.5 Ų143.549%0.49468%0.682SS.*  trans-51.6129.3172.9-26.834.4000110K133P131-K133 PolarHBondContact O-N 3.31Å
132P57.9Low60.6Low118 Ų118149 Ų14977%0.76670%0.701SS**  trans-60112.9-17321.6-32.6000109.6K134P132-K134 PolarHBondContact O-N 3.23Å
133K59.3Low58.9Low174 Ų174151.1 Ų151.176%0.75771%0.71SS**  trans-53.7107.6-179.7-68.8-174.3-179.2-178.70108.3P131 K135P131-K133 PolarHBondContact O-N 3.31Å; K133-K135 VanDerWaalsContact C-N 3.29Å; K133-K135 PolarHBondContact O-N 3.21Å
134K59.1Low57.2Low206 Ų206154.8 Ų154.890%0.89672%0.718SS**  trans-63.692.5178.2-72.7-178.3179.8175.10108P132 S136P132-K134 PolarHBondContact O-N 3.23Å; K134-S136 PolarHBondContact O-N 3.45Å
135K55Low55.6Low196 Ų196154.8 Ų154.885%0.85273%0.732SS**  trans-55.2105.1172.3-67.5-174.7179.2-177.70107K133 K137K133-K135 VanDerWaalsContact C-N 3.29Å; K133-K135 PolarHBondContact O-N 3.21Å; K135-K137 PolarHBondContact O-N 3.3Å
136S51.3Low53.8Low102 Ų102157.2 Ų157.271%0.71375%0.75SS**  trans-61.7104.4179.8-173.90000107.3K134 H138K134-S136 PolarHBondContact O-N 3.45Å; S136-H138 PolarHBondContact O-N 2.97Å
137K53.6Low52.3Low192 Ų192160 Ų16084%0.83577%0.765SS**  trans-61.8107.5171.7-72.7-175.3176.8-177.20106K135 K139K135-K137 PolarHBondContact O-N 3.3Å; K137-K139 PolarHBondContact O-N 3.23Å
138H52.4Low51.4Low174 Ų174159.4 Ų159.481%0.80677%0.77SS**  trans-50.8111.1173.4-74.9-57.6000108S136 H140S136-H138 PolarHBondContact O-N 2.97Å; H138-H140 PolarHBondContact O-N 3.09Å; H138-H140 VanDerWaalsContact O-N 3.1Å
139K48.3Very low50Low201 Ų201160.7 Ų160.787%0.87478%0.781SS**  trans-62.5115.2164-72.3-176.2176.5-178.40105.2K137 K141K137-K139 PolarHBondContact O-N 3.23Å; K139-K141 PolarHBondContact O-N 3.14Å
140H48.1Very low48.9Very low185 Ų185161.6 Ų161.686%0.85679%0.793SS**  trans-49120.7170.6-81.9-92.5000108.1H138 H142H138-H140 PolarHBondContact O-N 3.09Å; H138-H140 VanDerWaalsContact O-N 3.1Å; H140-H142 PolarHBondContact O-N 3.09Å
141K43.1Very low47.7Very low200 Ų200165.1 Ų165.187%0.8781%0.809SS**  trans-55.5115.6164.6-90.6-178170.8-178.60106K139 H143K139-K141 PolarHBondContact O-N 3.14Å; K141-H143 PolarHBondContact O-N 2.66Å; K141-H143 VanDerWaalsContact O-N 3.15Å
142H46.3Very low46.4Very low187 Ų187169 Ų16987%0.86682%0.821SS**  trans-64.1115.5166.4-125.2-80.8000106.3H140 R144H140-H142 PolarHBondContact O-N 3.09Å; H142-R144 PolarHBondContact O-N 2.88Å; H142-R144 VanDerWaalsContact O-N 3.17Å
143H44.2Very low45.3Very low182 Ų182169.5 Ų169.584%0.84382%0.822SS**PPolyproline II helixtrans-57.8121.7163.3-90.9-90.6000107.4K141K141-H143 PolarHBondContact O-N 2.66Å; K141-H143 VanDerWaalsContact O-N 3.15Å
144R42.4Very low44.5Very low230 Ų230167.2 Ų167.287%0.86883%0.825SS**PPolyproline II helixtrans-98.9136161.7-170.1171.4-177.4167.2-0.1106.4H142H142-R144 PolarHBondContact O-N 2.88Å; H142-R144 VanDerWaalsContact O-N 3.17Å
145P44.9Very low43.3Very low119 Ų119163 Ų16377%0.77382%0.821SS**PPolyproline II helixtrans-66.1144.7-172.8-19.132.5000111.8
146Q39.2Very low42.2Very low188 Ų188160.8 Ų160.888%0.87982%0.819SS**PPolyproline II helixtrans-89.1138.3160.5-131.1177.3-12.500107.2
147D37.1Very low41.5Very low159 Ų159160.8 Ų160.885%0.8582%0.818SS**PPolyproline II helixtrans-73.1152.6169.1-82.1-54.4000110.8
148P48Very low41Very low111 Ų111159.2 Ų159.272%0.72182%0.819SS**  trans-105142.4-164.523.3-5.6000113.5
149L33.8Very low40.9Very low175 Ų175155.1 Ų155.192%0.91681%0.808SS**  trans-133.7151.6152.3-77.4179.3000110.1
150P44.7Very low40.5Very low107 Ų107154.8 Ų154.870%0.69581%0.807SS**  trans-109158.7-152.639.7-33.5000114.6
151Q34.1Very low40.4Very low185 Ų185155.7 Ų155.786%0.86481%0.808SS**  trans162.9145.6137.4-89.4171.8-17.900107.3
152E31.8Very low40.8Very low158 Ų158156.1 Ų156.174%0.73881%0.81SS**  cis-176.4164.2-10.4-105.4-70.477.700105.3
153T35.8Very low40.8Very low129 Ų129157 Ų15779%0.79181%0.811SS**  trans86.6145.9167.873.80000120.9
154P41Very low40.9Very low126 Ų126157.8 Ų157.882%0.81881%0.812SS**  trans-131160-149.640.3-22.3000117
155S34.4Very low40.9Very low116 Ų116157.1 Ų157.181%0.81182%0.816SS**  trans-168.796.1157-164.40000107.6
156D32.2Very low41.2Very low151 Ų151162.8 Ų162.881%0.80782%0.822SS**  84.7150.176.1-168.137.2000114
157S36.9Very low41.6Very low101 Ų101160.9 Ų160.971%0.70682%0.818SS**  trans82.663.5179.5-60.10000119.6
158D42.5Very low42.4Very low159 Ų159159.8 Ų159.885%0.8581%0.812SS**  34178.3118.9-126.32.3000122.7
159P51.2Low42.9Very low89 Ų89158.1 Ų158.158%0.57880%0.797SS**  -129.5172.5-122.542-22.6000115.6
160K38.6Very low44.2Very low193 Ų193154.2 Ų154.284%0.83978%0.782SS**  trans168.8116.4134.9-94.5150.8-175.3162.30115.4
161K46.3Very low44.9Very low205 Ų205153.9 Ų153.989%0.89177%0.774SS**  trans138.1102.8132.3-82.1173.4179.1171.70114.2
162K51.6Low46.2Very low208 Ų208155.1 Ų155.190%0.90477%0.771SS**  trans-57.1137.3161.3-67.6175.1175.81740110.8
163K46.5Very low47.7Very low205 Ų205154.9 Ų154.989%0.89177%0.768SS**  trans-158.1110.9136.4-115.3168.5-174.4177.50112.9
164K45.4Very low49.3Very low200 Ų200155.6 Ų155.687%0.8776%0.76SS**  trans45.794.8160.9-71.7-179.9170.81770117.8R166K164-R166 PolarHBondContact O-N 3.28Å
165K43.3Very low50.7Low215 Ų215157.8 Ų157.894%0.93576%0.757SS**  trans-55.3131.1137.6-80.3-174.9175.8179.70107.2
166R49.8Very low52.4Low238 Ų238160.5 Ų160.590%0.89875%0.754SS**  trans-97.8119.3174.7-161.6-174.6-159.6-154.310.3106.9K164 D168K164-R166 PolarHBondContact O-N 3.28Å; R166-D168 PolarHBondContact O-N 2.9Å; R166-D168 VanDerWaalsContact O-N 3.15Å
167D48.4Very low54.4Low149 Ų149160.6 Ų160.680%0.79775%0.747SS**  trans-57.1113.9173.5-100.3-82000110.8D169D167-D169 PolarHBondContact O-N 3.35Å
168D53.3Low55.9Low135 Ų135160 Ų16072%0.72274%0.736SS**  trans-89.163.6165-150.9-102.3000108.3R166 P170R166-D168 PolarHBondContact O-N 2.9Å; R166-D168 VanDerWaalsContact O-N 3.15Å; D168-P170 WeakPolarHBondContact O-CD 3.33Å
169D59.8Low57.4Low76 Ų76160.1 Ų160.141%0.40673%0.729SS.*  trans-57.5117.7176.9175-12.6000109.8D167 D171 R172D167-D169 PolarHBondContact O-N 3.35Å; D169-D171 PolarHBondContact O-N 3.08Å; D169-D171 PolarHBondContact OD1-N 3.47Å; D169-R172 PolarHBondContact O-N 2.66Å
170P60.6Low58.4Low94 Ų94163.3 Ų163.361%0.6173%0.733SS**Hα-helixtrans-63.7-22.7-17525.9-34.2000113.6D168 R172 K173 K174D168-P170 WeakPolarHBondContact O-CD 3.33Å; P170-R172 PolarHBondContact O-N 3.13Å; P170-K173 WeakPolarHBondContact O-CB 3.41Å; P170-K173 PolarHBondContact O-N 3.33Å; P170-K173 VanDerWaalsContact O-N 3.15Å; P170-K174 PolarHBondContact O-N 3.27Å
171D60.1Low59.9Low100 Ų100160.5 Ų160.554%0.53572%0.721SS.*Hα-helixtrans-71.8-30.9-178-92.3-54.6000113D169 K173 K174 K175D169-D171 PolarHBondContact O-N 3.08Å; D169-D171 PolarHBondContact OD1-N 3.47Å; D171-K173 PolarHBondContact O-N 3.03Å; D171-K174 PolarHBondContact O-N 3.29Å; D171-K175 WeakPolarHBondContact O-CB 3.39Å; D171-K175 PolarHBondContact O-N 3.25Å
172R60.5Low61Low211 Ų211157.9 Ų157.980%0.79671%0.71SS**Hα-helixtrans-60.3-33.6170.4-83.2-174.7167.7-168.2-3112D169 P170 K176D169-R172 PolarHBondContact O-N 2.66Å; P170-R172 PolarHBondContact O-N 3.13Å; R172-K176 PolarHBondContact O-N 3.23Å
173K63.8Low61.7Low152 Ų152156 Ų15666%0.66170%0.702SS**Hα-helixtrans-73.9-40179.2-157.2169.5-172.5167.40111.5P170 D171 K176 K177P170-K173 WeakPolarHBondContact O-CB 3.41Å; P170-K173 PolarHBondContact O-N 3.33Å; P170-K173 VanDerWaalsContact O-N 3.15Å; D171-K173 PolarHBondContact O-N 3.03Å; K173-K176 PolarHBondContact O-N 3.29Å; K173-K177 PolarHBondContact O-N 3.47Å
174K69.8Low62.5Low144 Ų144152.7 Ų152.763%0.62669%0.694SS**Hα-helixtrans-62.8-49.4175.3-160.9175.6-178.2-1770111.2P170 D171 K176 K177 D178P170-K174 PolarHBondContact O-N 3.27Å; D171-K174 PolarHBondContact O-N 3.29Å; K174-K176 VanDerWaalsContact C-N 3.29Å; K174-K176 PolarHBondContact O-N 3.14Å; K174-K177 WeakPolarHBondContact O-CB 3.44Å; K174-K177 PolarHBondContact O-N 2.93Å; K174-D178 PolarHBondContact O-N 2.87Å; K174-D178 VanDerWaalsContact O-N 3.16Å
175K69.4Low63.2Low173 Ų173153.2 Ų153.275%0.75269%0.69SS**Hα-helixtrans-60.2-33.6179.6-148.9166.6-169.6169.50113.2D171 K179D171-K175 WeakPolarHBondContact O-CB 3.39Å; D171-K175 PolarHBondContact O-N 3.25Å; K175-K179 PolarHBondContact O-N 2.91Å
176K71.4Confident63.9Low173 Ų173151.3 Ų151.375%0.75268%0.684SS**Hα-helixtrans-72-35.8174.9-167.7173-177176.80113.1R172 K173 K174 K180R172-K176 PolarHBondContact O-N 3.23Å; K173-K176 PolarHBondContact O-N 3.29Å; K174-K176 VanDerWaalsContact C-N 3.29Å; K174-K176 PolarHBondContact O-N 3.14Å; K176-K180 PolarHBondContact O-N 3.09Å
177K73.1Confident63.9Low153 Ų153145.4 Ų145.467%0.66568%0.68SS**Hα-helixtrans-67.3-41.1177.2-168.3176.6-177.9-179.80111.5K173 K174 K180 K181K173-K177 PolarHBondContact O-N 3.47Å; K174-K177 WeakPolarHBondContact O-CB 3.44Å; K174-K177 PolarHBondContact O-N 2.93Å; K177-K180 PolarHBondContact O-N 2.77Å; K177-K181 PolarHBondContact O-N 3.06Å; K177-K181 VanDerWaalsContact O-N 3.15Å
178D68.9Low64.4Low89 Ų89143.1 Ų143.148%0.47667%0.673SS.*Hα-helixtrans-66.4-44.1178.9-115.7-77.7000113.1K174 K180 K181 K182K174-D178 PolarHBondContact O-N 2.87Å; K174-D178 VanDerWaalsContact O-N 3.16Å; D178-K180 PolarHBondContact O-N 3.1Å; D178-K181 PolarHBondContact O-N 3.04Å; D178-K182 PolarHBondContact O-N 3.15Å
179K72.6Confident63.9Low161 Ų161143.5 Ų143.570%0.768%0.675SS**Hα-helixtrans-61.6-28.9176.8-162.4167.6-174.9173.70112.6K175K175-K179 PolarHBondContact O-N 2.91Å
180K72.7Confident63.3Low155 Ų155147.6 Ų147.667%0.67469%0.691SS**Hα-helixtrans-73.9-40.4172.3-166.8174.3-178.4-179.80112.2K176 K177 D178 K183 N184K176-K180 PolarHBondContact O-N 3.09Å; K177-K180 PolarHBondContact O-N 2.77Å; D178-K180 PolarHBondContact O-N 3.1Å; K180-K183 PolarHBondContact O-N 2.94Å; K180-N184 PolarHBondContact O-N 2.9Å
181K71.1Confident62.7Low134 Ų134148.4 Ų148.458%0.58370%0.697SS**Hα-helixtrans-62.5-40.3175.3-82.6-169.5169.5-169.60113K177 D178 N184K177-K181 PolarHBondContact O-N 3.06Å; K177-K181 VanDerWaalsContact O-N 3.15Å; D178-K181 PolarHBondContact O-N 3.04Å; K181-N184 PolarHBondContact O-N 3.17Å
182K69.3Low61.3Low151 Ų151147 Ų14766%0.65771%0.705SS**Hα-helixtrans-63.8-38.3177.4-74-168.7173.7-170.20112.9D178 N184 R185D178-K182 PolarHBondContact O-N 3.15Å; K182-N184 VanDerWaalsContact C-N 3.32Å; K182-N184 PolarHBondContact O-N 3.24Å; K182-R185 PolarHBondContact O-N 3.15Å
183K66.9Low60.5Low168 Ų168145.7 Ų145.773%0.7371%0.713SS**Hα-helixtrans-63.6-33.9175.6-75.1-162.4170.7-156.60113.6K180 R185K180-K183 PolarHBondContact O-N 2.94Å; K183-R185 VanDerWaalsContact C-N 3.25Å; K183-R185 PolarHBondContact O-N 3.43Å
184N61.9Low59.4Low136 Ų136143.1 Ų143.173%0.72772%0.72SS**THydrogen-bonded Turntrans-77.40.4178.5-92.968000114.7K180 K181 K182K180-N184 PolarHBondContact O-N 2.9Å; K181-N184 PolarHBondContact O-N 3.17Å; K182-N184 VanDerWaalsContact C-N 3.32Å; K182-N184 PolarHBondContact O-N 3.24Å
185R61.3Low57.8Low211 Ų211139.9 Ų139.980%0.79673%0.728SS**THydrogen-bonded Turntrans-1080-178.4-77.9-171.8171.8-170.6-4.6115.1K182 K183K182-R185 PolarHBondContact O-N 3.15Å; K183-R185 VanDerWaalsContact C-N 3.25Å; K183-R185 PolarHBondContact O-N 3.43Å
186H58.3Low56.5Low174 Ų174137.3 Ų137.381%0.80673%0.731SS**  trans-129.547.4-177.1-73.6-41000112.7
187S48.3Very low55Low115 Ų115137.5 Ų137.580%0.80474%0.735SS**  trans-118104.7158.8-150.90000106.7
188P58.7Low53.9Low101 Ų101135.4 Ų135.466%0.65674%0.737SS**  trans-83.7147176.633.5-32.2000111.1
189D43.7Very low52.6Low142 Ų142137 Ų13776%0.75976%0.755SS**  trans62.8146.6145.3-61.5-28.3000121.1
190H47.3Very low51.3Low163 Ų163134.6 Ų134.676%0.75576%0.759SS**  cis-150.5-126.1-25.3-148.5-48.4000110.5
191P48.2Very low50.1Low111 Ų111135.3 Ų135.372%0.72177%0.77SS**  -112.4170.7-127.323.6-0.4000117.3
192G29.9Very low49Very low69 Ų69133.4 Ų133.471%0.71177%0.773SS**  trans103.3119.7134.600000117.9
193L44.4Very low47.9Very low185 Ų185133.8 Ų133.897%0.96978%0.782SS**  -176.3148.3102.8-95.2161.7000110.7
194A40.4Very low46.8Very low97 Ų97141.2 Ų141.280%0.80281%0.805SS**  trans-117.5159.7175.800000110.1
195G36.2Very low46Very low77 Ų77141.5 Ų141.579%0.79481%0.809SS**  trans89.1153.9-175.600000113
196S40.9Very low45.2Very low118 Ų118137.8 Ų137.883%0.82581%0.81SS**  cis-157.7156.35.848.40000112.3
197Q40.8Very low44.5Very low178 Ų178135.8 Ų135.883%0.83281%0.81SS**  trans23.6150.9154.9-74.1-78.3-78.600123.7
198P50.2Low44.3Very low109 Ų109137 Ų13771%0.70881%0.81SS**  trans-82.8147.4172.636-33.5000112.4
199S41.4Very low43.4Very low121 Ų121139.3 Ų139.385%0.84682%0.82SS**  trans-101.8107.8170.945.70000111.8
200S44.6Very low43.4Very low111 Ų111139.1 Ų139.178%0.77682%0.824SS**  trans-67.5147.6150.248.40000109.2
201N48.3Very low43.1Very low170 Ų170137.4 Ų137.491%0.90983%0.829SS**  trans-148.3138151.6-127.6-2.6000111.6
202S47.7Very low42.7Very low94 Ų94139.4 Ų139.466%0.65784%0.837SS**  trans-117.7165.6178.2-172.90000108.3
203L46.6Very low43.7Very low159 Ų159145.3 Ų145.383%0.83285%0.848SS**  trans61.7102.7166.8-64.4143.5000116.9
204R43.3Very low43.7Very low324 Ų324141.6 Ų141.6100%1.22384%0.837SS**  -162.10101.1-102.7-179.5-175.4-163.31.2111.4

Retrieved 204 of 204 residues in 130.1 ms (Link to these results)