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Isoform 3 of Autism susceptibility gene 2 protein homolog AlphaSync

Canonical isoform description: Component of a Polycomb group (PcG) multiprotein PRC1-like complex, a complex class required to maintain the transcriptionally repressive state of many genes, including Hox genes, throughout development. PcG PRC1 complex acts via chromatin remodeling and modification of histones; it mediates monoubiquitination of histone H2A 'Lys-119', rendering chromatin heritably changed in its expressibility. The PRC1-like complex that contains PCGF5, RNF2, CSNK2B, RYBP and AUTS2 has decreased histone H2A ubiquitination activity, due to the phosphorylation of RNF2 by CSNK2B. As a consequence, the complex mediates transcriptional activation (By similarity). In the cytoplasm, plays a role in axon and dendrite elongation and in neuronal migration during embryonic brain development. Promotes reorganization of the actin cytoskeleton, lamellipodia formation and neurite elongation via its interaction with RAC guanine nucleotide exchange factors, which then leads to the activation of RAC11.

AlphaFold DB , UniProt , Accession A0A087WPF7-3 (canonical: A0A087WPF7), Species MOUSE (Mus musculus, Mouse), Gene Auts2, Length 789 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
1M47.1Very low67.9Low232 Ų232136.5 Ų136.5100%1.14382%0.819SS**  0136.70-61.7166.986.600107.1
2F64.5Low68.3Low214 Ų214134.1 Ų134.194%0.93981%0.809SS**  trans-137.9134.5171.1-76.2-77.9000108
3A67.6Low68.3Low89 Ų89132.2 Ų132.274%0.73680%0.801SS**PPolyproline II helixtrans-75.5146.2175.300000110
4P72.1Confident67.4Low115 Ų115134.8 Ų134.875%0.74781%0.807SS**PPolyproline II helixtrans-62.4142.6167.228.9-34000109.4
5P68.2Low66.5Low124 Ų124133.7 Ų133.781%0.80580%0.802SS**PPolyproline II helixtrans-63.9139.217927.2-34.3000110.6A7P5-A7 PolarHBondContact O-N 3.36Å; P5-A7 VanDerWaalsContact O-N 3.16Å
6T65.3Low65.3Low136 Ų136133.1 Ų133.183%0.83481%0.806SS**PPolyproline II helixtrans-54.1119.7177.4-47.50000110.1L8T6-L8 PolarHBondContact O-N 3.41Å
7A68.2Low64.1Low93 Ų93129.1 Ų129.177%0.76980%0.797SS**PPolyproline II helixtrans-62.7120.4177.600000109.6P5P5-A7 PolarHBondContact O-N 3.36Å; P5-A7 VanDerWaalsContact O-N 3.16Å
8L68.5Low63.3Low160 Ų160128.1 Ų128.184%0.83880%0.796SS**PPolyproline II helixtrans-62.8143172.3-67.6172000109.4T6T6-L8 PolarHBondContact O-N 3.41Å
9P78Confident62.5Low106 Ų106129.8 Ų129.869%0.68880%0.799SS**PPolyproline II helixtrans-60.3148.2173.227.3-34.6000110.1
10P76.9Confident61.6Low116 Ų116133 Ų13375%0.75380%0.804SS**PPolyproline II helixtrans-59.8144.2174.427-34.4000110
11P71.1Confident60.8Low116 Ų116131.9 Ų131.975%0.75380%0.797SS**PPolyproline II helixtrans-60.6144.1174.427.3-34.4000109.8
12P71.7Confident60.4Low108 Ų108127 Ų12770%0.70178%0.783SS**PPolyproline II helixtrans-59.6148.5175.826.6-34.5000110.2L14P12-L14 PolarHBondContact O-N 3.36Å
13P68.4Low59.2Low109 Ų109119.8 Ų119.871%0.70877%0.769SS**PPolyproline II helixtrans-58.5138.2174.526.3-34000109.6T15P13-T15 PolarHBondContact O-N 3.36Å
14L56.5Low57.9Low169 Ų169123 Ų12389%0.88577%0.769SS**  trans-71.977.8176-66.5177.3000110P12 S16P12-L14 PolarHBondContact O-N 3.36Å; L14-S16 PolarHBondContact O-N 3.27Å; L14-S16 VanDerWaalsContact O-N 3.09Å
15T53.7Low56.4Low119 Ų119123.7 Ų123.773%0.7377%0.773SS**  trans-62.6109.8169.545.10000108.3P13 G17P13-T15 PolarHBondContact O-N 3.36Å; T15-G17 PolarHBondContact O-N 2.82Å
16S47.8Very low54.8Low124 Ų124123.2 Ų123.287%0.86778%0.779SS**  trans-74.171.2169.8-64.60000108.6L14 S18L14-S16 PolarHBondContact O-N 3.27Å; L14-S16 VanDerWaalsContact O-N 3.09Å; S16-S18 PolarHBondContact O-N 3.48Å
17G44.6Very low53.8Low64 Ų64119.7 Ų119.766%0.6677%0.77SS**  trans-68.191.9-176.200000111.1T15 L19T15-G17 PolarHBondContact O-N 2.82Å; G17-L19 PolarHBondContact O-N 2.78Å
18S49.6Very low52.5Low111 Ų111120.6 Ų120.678%0.77677%0.771SS**  trans-54.3131.5155.9-177.50000108.1S16 Q20S16-S18 PolarHBondContact O-N 3.48Å; S18-Q20 PolarHBondContact O-N 3.43Å
19L47.5Very low51.5Low162 Ų162119.1 Ų119.185%0.84877%0.769SS**  trans-54.1129.1178-72.6165.1000109.8G17 V21G17-L19 PolarHBondContact O-N 2.78Å; L19-V21 PolarHBondContact O-N 3.26Å
20Q45.2Very low50.3Low192 Ų192121.7 Ų121.790%0.89777%0.766SS**  trans-70.8111.7177.8-70.9176.8-38.100109.4S18 P22S18-Q20 PolarHBondContact O-N 3.43Å; Q20-P22 WeakPolarHBondContact O-CD 3.17Å
21V43.7Very low50.1Low110 Ų110118.4 Ų118.467%0.66775%0.746SS**  trans-87.4116.5162.7179.30000107.2L19 G23L19-V21 PolarHBondContact O-N 3.26Å; V21-G23 PolarHBondContact O-N 2.82Å
22P40.1Very low50.4Low129 Ų129120.2 Ų120.284%0.83874%0.744SS**SBendtrans-69.9123.2178-17.632000110.6Q20Q20-P22 WeakPolarHBondContact O-CD 3.17Å
23G39.7Very low50.9Low63 Ų63122.4 Ų122.465%0.64975%0.745SS**  trans162.7-2.2173.800000119.1V21V21-G23 PolarHBondContact O-N 2.82Å
24H38.4Very low51.7Low158 Ų158119.4 Ų119.473%0.73172%0.723SS**  trans-133.2122-170.4-42.7-47.6000111.9
25P42.4Very low53Low128 Ų128116 Ų11683%0.83171%0.705SS**  trans-76.4166.3176.332-34.6000112.4
26A34.1Very low54.6Low114 Ų114113.9 Ų113.994%0.94269%0.689SS**  trans-67.8139.1-167.600000114.6
27G43.3Very low56.6Low62 Ų62115.3 Ų115.364%0.63968%0.675SS**  trans-144134166.700000109.5T29G27-T29 PolarHBondContact O-N 3.04Å
28S41Very low58.8Low113 Ų113117.9 Ų117.979%0.7967%0.67SS**  trans-67.7114.1-173.5-174.20000111.7
29T48.2Very low60.6Low129 Ų129116.6 Ų116.679%0.79165%0.652SS**  trans-116.398.4169.951.70000109.5G27 S31G27-T29 PolarHBondContact O-N 3.04Å; T29-S31 PolarHBondContact O-N 2.9Å
30Y53.1Low62.7Low159 Ų159114.4 Ų114.462%0.62464%0.64SS**  trans-54.7130.6164.4-97.9-105000108.9D34Y30-D34 HydrophobicContact CD1-CB 3.79Å; Y30-D34 HydrophobicContact CE1-CB 4.44Å
31S71.6Confident64.6Low48 Ų48109.7 Ų109.734%0.33662%0.621SS.*  trans-67.3149.7-179.481.90000110.3T29 Q33 D34 I35T29-S31 PolarHBondContact O-N 2.9Å; S31-Q33 PolarHBondContact O-N 3.39Å; S31-Q33 PolarHBondContact OG-N 2.93Å; S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 WeakPolarHBondContact O-CB 3.31Å; S31-D34 PolarHBondContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 3.33Å; S31-D34 VanDerWaalsContact OG-N 3.1Å; S31-D34 PolarHBondContact OG-OD2 3.4Å; S31-I35 PolarHBondContact O-N 3.17Å; S31-I35 VanDerWaalsContact O-N 3.1Å
32E78Confident66.4Low153 Ų153108.5 Ų108.572%0.71561%0.614SS**Hα-helixtrans-52.7-31.8173-166.8-172.8143.600111.3I35 L36E32-I35 PolarHBondContact O-N 3.46Å; E32-L36 HydrophobicContact CG-CD1 4.24Å; E32-L36 WeakPolarHBondContact O-CB 3.35Å; E32-L36 WeakPolarHBondContact O-CD1 3.39Å; E32-L36 WeakPolarHBondContact O-CG 3.34Å; E32-L36 PolarHBondContact O-N 3.1Å
33Q81.9Confident68.6Low155 Ų155108.6 Ų108.672%0.72460%0.598SS**Hα-helixtrans-69.8-35.7176.6-54.7-176.26.900113.1S31 R37S31-Q33 PolarHBondContact O-N 3.39Å; S31-Q33 PolarHBondContact OG-N 2.93Å; Q33-R37 VanDerWaalsContact O-CB 3.28Å; Q33-R37 WeakPolarHBondContact O-CB 3.45Å; Q33-R37 PolarHBondContact O-N 3.46Å
34D84.6Confident70.7Confident46 Ų46111.3 Ų111.325%0.24659%0.592CS.*Hα-helixtrans-69-43.1173.9-69.5-70.2000111.2Y30 S31 R37 Q38Y30-D34 HydrophobicContact CD1-CB 3.79Å; Y30-D34 HydrophobicContact CE1-CB 4.44Å; S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 WeakPolarHBondContact O-CB 3.31Å; S31-D34 PolarHBondContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 3.33Å; S31-D34 VanDerWaalsContact OG-N 3.1Å; S31-D34 PolarHBondContact OG-OD2 3.4Å; D34-R37 PolarHBondContact O-N 2.96Å; D34-R37 IonicContact OD1-CZ 3.54Å; D34-R37 IonicContact OD1-NH1 3.9Å; D34-R37 PolarHBondContact OD1-NH1 2.77Å; D34-R37 IonicContact OD1-NH2 3.14Å; D34-R37 PolarHBondContact OD1-NH2 2.82Å; D34-Q38 WeakPolarHBondContact O-CB 3.28Å; D34-Q38 PolarHBondContact O-N 3.02Å
35I83.9Confident72.7Confident96 Ų96108.8 Ų108.849%0.49258%0.583SS.*Hα-helixtrans-62.3-47.4177.9-64.7163.2000110.1S31 E32 R37 Q38 E39S31-I35 PolarHBondContact O-N 3.17Å; S31-I35 VanDerWaalsContact O-N 3.1Å; E32-I35 PolarHBondContact O-N 3.46Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 3.19Å; I35-Q38 PolarHBondContact O-N 3.43Å; I35-E39 PolarHBondContact O-N 3.18Å
36L88.8Confident74.2Confident76 Ų76105.4 Ų105.440%0.39857%0.566SS.*Hα-helixtrans-60.2-40.4173.4-74.5166.5000112.2E32 L40E32-L36 HydrophobicContact CG-CD1 4.24Å; E32-L36 WeakPolarHBondContact O-CB 3.35Å; E32-L36 WeakPolarHBondContact O-CD1 3.39Å; E32-L36 WeakPolarHBondContact O-CG 3.34Å; E32-L36 PolarHBondContact O-N 3.1Å; L36-L40 WeakPolarHBondContact O-CB 3.18Å; L36-L40 VanDerWaalsContact O-CG 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.29Å; L36-L40 PolarHBondContact O-N 2.95Å
37R89.6Confident75.9Confident154 Ų154102.7 Ų102.758%0.58154%0.54SS*.Hα-helixtrans-66.9-37.7177-169.2-178.469.7-109-3.4111.8Q33 D34 I35 N41Q33-R37 VanDerWaalsContact O-CB 3.28Å; Q33-R37 WeakPolarHBondContact O-CB 3.45Å; Q33-R37 PolarHBondContact O-N 3.46Å; D34-R37 PolarHBondContact O-N 2.96Å; D34-R37 IonicContact OD1-CZ 3.54Å; D34-R37 IonicContact OD1-NH1 3.9Å; D34-R37 PolarHBondContact OD1-NH1 2.77Å; D34-R37 IonicContact OD1-NH2 3.14Å; D34-R37 PolarHBondContact OD1-NH2 2.82Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 3.19Å; R37-N41 WeakPolarHBondContact O-CB 3.48Å; R37-N41 PolarHBondContact O-N 3.04Å
38Q89.7Confident76.9Confident117 Ų117104 Ų10455%0.54753%0.53SS..Hα-helixtrans-69.2-46176.8-174.8171.8-7.800111.2D34 I35 L40 N41 T42D34-Q38 WeakPolarHBondContact O-CB 3.28Å; D34-Q38 PolarHBondContact O-N 3.02Å; I35-Q38 PolarHBondContact O-N 3.43Å; Q38-L40 PolarHBondContact O-N 3.1Å; Q38-N41 PolarHBondContact O-N 3.2Å; Q38-T42 PolarHBondContact O-N 3.15Å; Q38-T42 PolarHBondContact O-OG1 3.02Å; Q38-T42 VanDerWaalsContact O-OG1 3.04Å
39E88.6Confident77.7Confident85 Ų85102.6 Ų102.640%0.39752%0.52SS..Hα-helixtrans-60-45176-162.9-161.5171.800111.5I35 N41 T42 R43I35-E39 PolarHBondContact O-N 3.18Å; E39-N41 VanDerWaalsContact C-N 3.33Å; E39-N41 PolarHBondContact O-N 3.46Å; E39-T42 PolarHBondContact O-N 2.97Å; E39-R43 HydrophobicContact CG-CG 4.5Å; E39-R43 WeakPolarHBondContact O-CB 3.49Å; E39-R43 WeakPolarHBondContact O-CG 3.16Å; E39-R43 PolarHBondContact O-N 2.89Å; E39-R43 IonicContact OE1-CZ 2.89Å; E39-R43 IonicContact OE1-NE 3.63Å; E39-R43 PolarHBondContact OE1-NE 3.12Å; E39-R43 IonicContact OE1-NH2 2.68Å; E39-R43 PolarHBondContact OE1-NH2 3.08Å
40L90.4Very high78.2Confident116 Ų11699.7 Ų99.761%0.60751%0.509SS*.Hα-helixtrans-62.2-38.2176.4-74.2171.5000112.4L36 Q38 F44L36-L40 WeakPolarHBondContact O-CB 3.18Å; L36-L40 VanDerWaalsContact O-CG 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.29Å; L36-L40 PolarHBondContact O-N 2.95Å; Q38-L40 PolarHBondContact O-N 3.1Å; L40-F44 VanDerWaalsContact O-CB 3.28Å; L40-F44 WeakPolarHBondContact O-CB 3.31Å; L40-F44 PolarHBondContact O-N 3.28Å
41N85.6Confident78.2Confident93 Ų9399.4 Ų99.450%0.49752%0.518SS..Hα-helixtrans-65.8-49.1175.4-168.4-57.7000111.3R37 Q38 E39 R43 F44 L45R37-N41 WeakPolarHBondContact O-CB 3.48Å; R37-N41 PolarHBondContact O-N 3.04Å; Q38-N41 PolarHBondContact O-N 3.2Å; E39-N41 VanDerWaalsContact C-N 3.33Å; E39-N41 PolarHBondContact O-N 3.46Å; N41-R43 PolarHBondContact O-N 2.87Å; N41-F44 WeakPolarHBondContact O-CB 3.44Å; N41-F44 PolarHBondContact O-N 3.06Å; N41-F44 VanDerWaalsContact O-N 3.14Å; N41-L45 WeakPolarHBondContact O-CG 3.02Å; N41-L45 PolarHBondContact O-N 3.33Å; N41-L45 WeakPolarHBondContact OD1-CD1 3.41Å
42T81.8Confident77.2Confident84 Ų84107.2 Ų107.252%0.51554%0.54SS..Hα-helixtrans-58.8-45.2176.8-56.50000111.8Q38 E39 L45 A46Q38-T42 PolarHBondContact O-N 3.15Å; Q38-T42 PolarHBondContact O-OG1 3.02Å; Q38-T42 VanDerWaalsContact O-OG1 3.04Å; E39-T42 PolarHBondContact O-N 2.97Å; T42-L45 PolarHBondContact O-N 3.49Å; T42-A46 WeakPolarHBondContact O-CB 3.44Å; T42-A46 PolarHBondContact O-N 2.93Å
43R86.1Confident75.5Confident131 Ų131101.9 Ų101.949%0.49453%0.526SS..Hα-helixtrans-63.1-39.7174.8-74.9177.9178.5-119.511.3112.2E39 N41 A46 S47E39-R43 HydrophobicContact CG-CG 4.5Å; E39-R43 WeakPolarHBondContact O-CB 3.49Å; E39-R43 WeakPolarHBondContact O-CG 3.16Å; E39-R43 PolarHBondContact O-N 2.89Å; E39-R43 IonicContact OE1-CZ 2.89Å; E39-R43 IonicContact OE1-NE 3.63Å; E39-R43 PolarHBondContact OE1-NE 3.12Å; E39-R43 IonicContact OE1-NH2 2.68Å; E39-R43 PolarHBondContact OE1-NH2 3.08Å; N41-R43 PolarHBondContact O-N 2.87Å; R43-A46 PolarHBondContact O-N 3.06Å; R43-S47 WeakPolarHBondContact O-CB 3.36Å; R43-S47 PolarHBondContact O-N 3.11Å; R43-S47 PolarHBondContact O-OG 2.89Å
44F82.7Confident73.6Confident120 Ų12099.6 Ų99.653%0.52653%0.534SS..Hα-helixtrans-63.6-47.5177.3-176.2-109.4000111.5L40 N41 A46 S47 Q48L40-F44 VanDerWaalsContact O-CB 3.28Å; L40-F44 WeakPolarHBondContact O-CB 3.31Å; L40-F44 PolarHBondContact O-N 3.28Å; N41-F44 WeakPolarHBondContact O-CB 3.44Å; N41-F44 PolarHBondContact O-N 3.06Å; N41-F44 VanDerWaalsContact O-N 3.14Å; F44-A46 PolarHBondContact O-N 3.39Å; F44-S47 PolarHBondContact O-N 2.94Å; F44-S47 PolarHBondContact O-OG 2.68Å; F44-Q48 PolarHBondContact O-N 3.45Å; F44-Q48 VanDerWaalsContact O-N 3.08Å
45L80.8Confident71.6Confident105 Ų105102.4 Ų102.455%0.5556%0.557SS.*Hα-helixtrans-59.4-44.9174.7-68.6171.7000112N41 T42 S47 Q48 S49N41-L45 WeakPolarHBondContact O-CG 3.02Å; N41-L45 PolarHBondContact O-N 3.33Å; N41-L45 WeakPolarHBondContact OD1-CD1 3.41Å; T42-L45 PolarHBondContact O-N 3.49Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.2Å; L45-Q48 PolarHBondContact O-N 3.14Å; L45-S49 PolarHBondContact O-N 3.42Å
46A73.4Confident69.6Low58 Ų58105.6 Ų105.648%0.47957%0.574SS.*Hα-helixtrans-66.7-29.9176.700000113.6T42 R43 F44 S49 A50T42-A46 WeakPolarHBondContact O-CB 3.44Å; T42-A46 PolarHBondContact O-N 2.93Å; R43-A46 PolarHBondContact O-N 3.06Å; F44-A46 PolarHBondContact O-N 3.39Å; A46-S49 PolarHBondContact O-OG 3.07Å; A46-A50 PolarHBondContact O-N 3.37Å
47S71.6Confident67.4Low56 Ų56104.9 Ų104.939%0.39259%0.586SS.*Hα-helixtrans-72.4-35.9174.368.70000112.5R43 F44 L45 S49 A50 D51R43-S47 WeakPolarHBondContact O-CB 3.36Å; R43-S47 PolarHBondContact O-N 3.11Å; R43-S47 PolarHBondContact O-OG 2.89Å; F44-S47 PolarHBondContact O-N 2.94Å; F44-S47 PolarHBondContact O-OG 2.68Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.2Å; S47-S49 VanDerWaalsContact C-N 3.31Å; S47-S49 PolarHBondContact O-N 3.14Å; S47-A50 PolarHBondContact O-N 3.16Å; S47-D51 PolarHBondContact O-N 3.08Å
48Q64.5Low65.9Low90 Ų90103.4 Ų103.442%0.42160%0.596SS.*Hα-helixtrans-69.9-24.2178.5-71.9-160.69.100114.1F44 L45F44-Q48 PolarHBondContact O-N 3.45Å; F44-Q48 VanDerWaalsContact O-N 3.08Å; L45-Q48 PolarHBondContact O-N 3.14Å
49S57.1Low63.9Low84 Ų84103.2 Ų103.259%0.58761%0.605SS**Hα-helixtrans-79.9-26.617253.40000112.8L45 A46 S47L45-S49 PolarHBondContact O-N 3.42Å; A46-S49 PolarHBondContact O-OG 3.07Å; S47-S49 VanDerWaalsContact C-N 3.31Å; S47-S49 PolarHBondContact O-N 3.14Å
50A57.6Low62.1Low68 Ų68104.4 Ų104.456%0.56262%0.62SS**Hα-helixtrans-70.1-51.8177.100000112.7A46 S47 R52 G53A46-A50 PolarHBondContact O-N 3.37Å; S47-A50 PolarHBondContact O-N 3.16Å; A50-R52 PolarHBondContact O-N 2.97Å; A50-G53 PolarHBondContact O-N 3.23Å
51D53.4Low59.8Low152 Ų152108.8 Ų108.881%0.81363%0.63SS**THydrogen-bonded Turntrans-68.6-7-175.3-88.1-47.5000114.9S47S47-D51 PolarHBondContact O-N 3.08Å
52R51.1Low58.1Low213 Ų213112 Ų11280%0.80465%0.646SS**THydrogen-bonded Turntrans-104.8-3.4171.2-68.6-177.1178.41502.3113.7A50A50-R52 PolarHBondContact O-N 2.97Å
53G41.9Very low56.2Low40 Ų40119.9 Ų119.941%0.41267%0.666SS.*  trans-86.5-8-170.800000116.1A50 S55 L56A50-G53 PolarHBondContact O-N 3.23Å; G53-S55 PolarHBondContact O-N 3.31Å; G53-L56 PolarHBondContact O-N 3.39Å
54A42.7Very low54.2Low107 Ų107119.5 Ų119.588%0.88468%0.679SS**THydrogen-bonded Turntrans-68.321.6-166.200000116.9
55S42.9Very low52.2Low106 Ų106120.7 Ų120.774%0.74169%0.686SS**THydrogen-bonded Turntrans-148.3-13.3179-171.90000116G53G53-S55 PolarHBondContact O-N 3.31Å
56L40.7Very low50.3Low162 Ų162123.8 Ų123.885%0.84870%0.695SS**SBendtrans-144.258.5-166.3-70.6176000115.2G53G53-L56 PolarHBondContact O-N 3.39Å
57G42.5Very low49.2Very low62 Ų62126.2 Ų126.264%0.63970%0.696SS**  trans73.1168.6158.100000118
58P58.4Low47.9Very low122 Ų122131.5 Ų131.579%0.79272%0.715SS**  trans-76.8147.8175.731.7-34.1000112
59P48.9Very low47.2Very low114 Ų114133.4 Ų133.474%0.7472%0.724SS**  trans-70134.7-176.827.5-34.5000112.6Y61P59-Y61 VanDerWaalsContact C-N 3.29Å; P59-Y61 PolarHBondContact O-N 2.86Å
60P49.8Very low46.3Very low110 Ų110137.1 Ų137.171%0.71473%0.732SS**SBendtrans-8649.3-165.336.5-39.6000114.4
61Y41.6Very low46.2Very low208 Ų208140.6 Ų140.682%0.81674%0.736SS**  trans-131.227.9-176.2-68.1-71.6000115.4P59P59-Y61 VanDerWaalsContact C-N 3.29Å; P59-Y61 PolarHBondContact O-N 2.86Å
62L50.1Low45.7Very low159 Ų159141.1 Ų141.183%0.83273%0.733SS**  trans-126110157.6-73.2176.4000109.1T64L62-T64 PolarHBondContact O-N 3.18Å
63R43Very low46Very low250 Ų250138.1 Ų138.194%0.94373%0.729SS**  trans-77.476.2176-175178.8176.5163.4-2109.2E65R63-E65 PolarHBondContact O-N 2.9Å; R63-E65 VanDerWaalsContact O-N 3.11Å
64T44.4Very low46.2Very low123 Ų123144.6 Ų144.676%0.75575%0.748SS**  trans-59.2113.3165.4-63.10000108.2L62 F66L62-T64 PolarHBondContact O-N 3.18Å; T64-F66 PolarHBondContact O-N 3.45Å
65E39.7Very low47Very low145 Ų145146.7 Ų146.768%0.67874%0.739SS**  trans-68.4118.3171.9-170.9172.9165.500108.8R63 H67R63-E65 PolarHBondContact O-N 2.9Å; R63-E65 VanDerWaalsContact O-N 3.11Å; E65-H67 PolarHBondContact O-N 3.14Å; E65-H67 PolarHBondContact O-ND1 3.46Å; E65-H67 IonicContact OE1-CE1 3.42Å; E65-H67 IonicContact OE2-CE1 3.53Å
66F40.9Very low47.4Very low171 Ų171147.5 Ų147.575%0.7574%0.74SS**  trans-73.271.6-173.9-174.8-101.7000111.3T64 Q68T64-F66 PolarHBondContact O-N 3.45Å; F66-Q68 HydrophobicContact CD1-CG 4.12Å; F66-Q68 HydrophobicContact CE1-CG 3.55Å; F66-Q68 HydrophobicContact CZ-CG 4.21Å; F66-Q68 PolarHBondContact O-N 3.2Å
67H51.4Low48.2Very low108 Ų108146.4 Ų146.450%0.573%0.73SS.*  trans-69.2110.3169.1-7580.6000109.2E65 H69E65-H67 PolarHBondContact O-N 3.14Å; E65-H67 PolarHBondContact O-ND1 3.46Å; E65-H67 IonicContact OE1-CE1 3.42Å; E65-H67 IonicContact OE2-CE1 3.53Å; H67-H69 VanDerWaalsContact C-N 3.32Å; H67-H69 AromaticContact CD2-CE1 3.85Å; H67-H69 AromaticContact CD2-NE2 3.89Å; H67-H69 AromaticContact CG-NE2 3.96Å; H67-H69 PolarHBondContact O-N 3.11Å
68Q43.7Very low48.4Very low168 Ų168152.4 Ų152.479%0.78574%0.741SS**  trans-71.189.2168-72.7-169.45600109.8F66F66-Q68 HydrophobicContact CD1-CG 4.12Å; F66-Q68 HydrophobicContact CE1-CG 3.55Å; F66-Q68 HydrophobicContact CZ-CG 4.21Å; F66-Q68 PolarHBondContact O-N 3.2Å
69H50.1Low48.5Very low129 Ų129153.3 Ų153.360%0.59774%0.735SS**  trans-94.495.4168.7-64.8-32000109.6H67 H71H67-H69 VanDerWaalsContact C-N 3.32Å; H67-H69 AromaticContact CD2-CE1 3.85Å; H67-H69 AromaticContact CD2-NE2 3.89Å; H67-H69 AromaticContact CG-NE2 3.96Å; H67-H69 PolarHBondContact O-N 3.11Å; H69-H71 PolarHBondContact O-N 3.47Å
70Q38Very low48.4Very low163 Ų163154.4 Ų154.476%0.76274%0.74SS**  trans-70.788.7178.9-174.1-166.329.900110.6Q72Q70-Q72 PolarHBondContact O-N 2.89Å
71H55Low48.4Very low140 Ų140156.2 Ų156.265%0.64874%0.738SS**  trans-88.6100.4174.2-65.7-54.4000111.1H69 H73H69-H71 PolarHBondContact O-N 3.47Å; H71-H73 PolarHBondContact O-N 2.87Å
72Q43.9Very low48.5Very low163 Ų163153.8 Ų153.876%0.76273%0.734SS**  trans-72.1108.7168.3-67.1-176-4.700109.7Q70Q70-Q72 PolarHBondContact O-N 2.89Å
73H55.5Low48.7Very low151 Ų151155.2 Ų155.270%0.69974%0.736SS**  trans-91.9101.6169.8-68.6-56.7000110.1H71 H75H71-H73 PolarHBondContact O-N 2.87Å; H73-H75 PolarHBondContact O-N 3.3Å
74Q46.3Very low48.4Very low175 Ų175148.5 Ų148.582%0.81872%0.723SS**  trans-78.599.9179.9-174.9174.71.400110.8T76Q74-T76 PolarHBondContact O-N 3.5Å
75H61.1Low48.7Very low151 Ų151152.2 Ų152.270%0.69973%0.729SS**  trans-74.7106.2175.6-68.6-73.8000111.6H73 H77H73-H75 PolarHBondContact O-N 3.3Å; H75-H77 PolarHBondContact O-N 3.37Å; H75-H77 VanDerWaalsContact O-N 3.14Å
76T51.4Low49.1Very low123 Ų123150.2 Ų150.276%0.75573%0.727SS**  trans-83.678177.549.80000111.8Q74 Q78Q74-T76 PolarHBondContact O-N 3.5Å; T76-Q78 PolarHBondContact O-N 2.86Å; T76-Q78 VanDerWaalsContact O-N 3.12Å
77H56.2Low50.2Low140 Ų140147.8 Ų147.865%0.64873%0.728SS**  trans-71.9104.4172.9-69.5-73.1000111.4H75 H79H75-H77 PolarHBondContact O-N 3.37Å; H75-H77 VanDerWaalsContact O-N 3.14Å; H77-H79 WeakPolarHBondContact CB-NE2 3.37Å; H77-H79 PolarHBondContact O-CD2 2.91Å; H77-H79 PolarHBondContact O-N 2.85Å; H77-H79 VanDerWaalsContact O-N 3.14Å
78Q46.4Very low50Low188 Ų188151.2 Ų151.288%0.87974%0.742SS**  trans-80.391.6177.4-171.6176.67.800111.1T76T76-Q78 PolarHBondContact O-N 2.86Å; T76-Q78 VanDerWaalsContact O-N 3.12Å
79H61.4Low50.4Low141 Ų141147.4 Ų147.465%0.65373%0.732SS**  trans-88.3119.1170.9-56.5-77.1000110.4H77H77-H79 WeakPolarHBondContact CB-NE2 3.37Å; H77-H79 PolarHBondContact O-CD2 2.91Å; H77-H79 PolarHBondContact O-N 2.85Å; H77-H79 VanDerWaalsContact O-N 3.14Å
80T46.7Very low50.4Low137 Ų137149.6 Ų149.684%0.8474%0.742SS**  trans-107.6128.6169.2-179.20000109.4
81H50.7Low50.6Low148 Ų148146.2 Ų146.269%0.68574%0.742SS**  trans-114.5139.9-168.2-80.8-103.2000113.1
82Q42.3Very low50.4Low157 Ų157147 Ų14773%0.73475%0.75SS**  trans11122.7154.9-62.9-179.9-14.600120.5
83H54.1Low50.5Low189 Ų189144.5 Ų144.588%0.87575%0.748SS**  -137.2118.1123.2-57.9-65.4000106.1
84T38.2Very low50.1Low108 Ų108143.3 Ų143.366%0.66375%0.753SS**  72.69250.7-53.50000113.2
85F50.7Low50Low202 Ų202141.6 Ų141.689%0.88676%0.755SS**  trans-159.2134.9143.8-134.2-88.1000112
86T48.3Very low49.3Very low103 Ų103138.1 Ų138.163%0.63275%0.752SS**  trans-150.8139.7176.148.90000111.3
87P62.5Low49.3Very low120 Ų120139.4 Ų139.478%0.77975%0.753SS**  trans-112113.4147.432-22.4000108.9
88F48.1Very low49Very low179 Ų179141.2 Ų141.279%0.78576%0.764SS**  83.2146.373.9-88.8-107.4000114
89P52.7Low49Very low88 Ų88136.9 Ų136.957%0.57175%0.752SS**  -141.9-133-125.944.7-23.9000114
90H49.1Very low48.2Very low175 Ų175136.3 Ų136.381%0.8176%0.759SS**  trans79.1139.5-179.8-44-66.5000114.1
91A41.8Very low48.1Very low93 Ų93135 Ų13577%0.76975%0.752SS**  cis-138.3-167.1-0.900000109
92I50.3Low47.9Very low156 Ų156132.5 Ų132.580%0.876%0.757SS**  cis-153.2154.48.4-159.2159000109.3
93P46.4Very low48.3Very low111 Ų111130.7 Ų130.772%0.72176%0.759SS**  trans-100.5172.3-169.838-33.5000115.4
94P47.7Very low48.1Very low125 Ų125126.5 Ų126.581%0.81275%0.749SS**  trans-98.7164.7-165.838.7-37000116.1
95T44.7Very low48.6Very low139 Ų139128.8 Ų128.885%0.85375%0.754SS**  trans-156144.6176.3-52.20000109.2
96A46.8Very low48.3Very low78 Ų78125.2 Ų125.265%0.64574%0.743SS**  cis-170-171.4-30.200000108.6
97I50.1Low48.2Very low150 Ų150127.5 Ų127.577%0.76975%0.745SS**  trans78.192.4154.3-55.4150.3000118.9
98M50.4Low47.6Very low179 Ų179129 Ų12988%0.88274%0.741SS**  65.9163.9125-68.9-165.970.800123.5
99P46.3Very low47.3Very low96 Ų96125 Ų12562%0.62374%0.736SS**  trans-124.9-173-157.644-30000116.6
100T45.1Very low46.7Very low130 Ų130130.7 Ų130.780%0.79875%0.747SS**  trans68.8162.1166.229.30000118
101P44.5Very low47.5Very low109 Ų109128.2 Ų128.271%0.70875%0.746SS**  cis-137.7140-17.232-11.5000117.2
102A46Very low48.2Very low95 Ų95129.1 Ų129.179%0.78574%0.744SS**  trans58.5-163.7148.800000118.4
103P50.2Low48Very low119 Ų119126 Ų12677%0.77374%0.742SS**  -106.8-145.5-79.538.9-26000110.2
104P49.7Very low48Very low102 Ų102128 Ų12866%0.66275%0.752SS**  cis-139.6-167.2-8.631.1-4.9000116.2
105M49.6Very low48Very low155 Ų155128.4 Ų128.476%0.76476%0.758SS**  trans76.3147.9159.8-50.9-47.4-112.100118.1
106L43.1Very low48.1Very low128 Ų128124.8 Ų124.867%0.6775%0.748SS**  cis-125.6-79.420.4-82166.7000116.9
107F48Very low48.2Very low151 Ų151129.2 Ų129.266%0.66276%0.759SS**  trans-152.7166.3-142.2-74.9-23.1000111.2
108H48.4Very low47.9Very low151 Ų151127.4 Ų127.470%0.69976%0.757SS**  cis-169.5168.5-8.1-108.6153.2000107.6
109S42.4Very low47.7Very low96 Ų96124.9 Ų124.967%0.67175%0.754SS**  cis-161.7-168-16.7-159.50000108.8
110Y40.7Very low47.3Very low206 Ų206128.9 Ų128.981%0.80877%0.766SS**  trans-128.4175.5172.5-89.1-98.7000111.6
111P66.1Low47.5Very low123 Ų123130.1 Ų130.180%0.79977%0.767SS**  -126.4154.6119.537-33.2000113.8
112P55.6Low47.4Very low112 Ų112130.8 Ų130.873%0.72777%0.771SS**  trans-125.6177.1-16842.8-29.2000116.1
113A45.7Very low47.5Very low92 Ų92131.4 Ų131.476%0.7677%0.767SS**  trans61.4126.6147.300000121.4
114V47.2Very low47.3Very low153 Ų153132.3 Ų132.393%0.92777%0.77SS**  -138.4151.9115.8-83.40000109.1
115S47.4Very low47Very low132 Ų132130.5 Ų130.592%0.92377%0.771SS**  trans-111.5137178179.80000110.2
116G46.2Very low47.6Very low63 Ų63129.4 Ų129.465%0.64978%0.775SS**  trans159.8143169.800000114.9
117I50.3Low47.4Very low172 Ų172134.1 Ų134.188%0.88279%0.79SS**  trans77.9138.2167.3-52.8175.7000114.5
118P43.9Very low46.9Very low112 Ų112130.5 Ų130.573%0.72780%0.796SS**  trans-109.5-177.3-152.544.8-34.7000113.7
119P45.2Very low46.9Very low126 Ų126128.9 Ų128.982%0.81880%0.802SS**  trans-91.6130.1-144.434.2-36.2000116.3
120M38.8Very low47.1Very low179 Ų179130.1 Ų130.188%0.88280%0.8SS**  trans-148.6158.6155.1-74.2-161.877.900110.7
121I48.7Very low47.4Very low156 Ų156128 Ų12880%0.880%0.798SS**  trans77.6122.8175-49.4176.2000114.8
122P42Very low46.2Very low124 Ų124125.8 Ų125.881%0.80580%0.797SS**  trans-100.1144.1-172.337.3-34.3000114.9
123P49.1Very low45.5Very low108 Ų108124.3 Ų124.370%0.70179%0.794SS**  trans-135.917915539.8-25.8000114.3
124T44.5Very low45.7Very low137 Ų137130 Ų13084%0.8480%0.802SS**  trans57.455.3166.261.90000118.1
125G44.3Very low45.8Very low65 Ų65128.2 Ų128.267%0.6778%0.784SS**PPolyproline II helixtrans-68.7161.1144.600000111.3
126P61.1Low46.1Very low131 Ų131127.7 Ų127.785%0.85178%0.777SS**PPolyproline II helixtrans-70.3156.3-172.428.5-35.5000114G128P126-G128 PolarHBondContact O-N 3.24Å
127F39Very low46.1Very low227 Ų227131.5 Ų131.5100%0.99678%0.776SS**SBendtrans-54.6126170.1-95.8-115.6000111.1
128G38.9Very low45.9Very low76 Ų76130.3 Ų130.378%0.78478%0.777SS**  trans175.235.1-176.800000116P126P126-G128 PolarHBondContact O-N 3.24Å
129S47.1Very low46.3Very low117 Ų117130 Ų13082%0.81878%0.778SS**  trans-112.8122.5179.852.70000112.7
130L46.4Very low46.3Very low122 Ų122131 Ų13164%0.63978%0.776SS**  trans-86.8117.7178.3-66.1148.4000110.3
131Q47.8Very low46.6Very low162 Ų162128.7 Ų128.776%0.75777%0.774SS**  trans-154.671171.9-148.2158-55.600112.9
132G42Very low46.8Very low76 Ų76128.1 Ų128.178%0.78477%0.771SS**SBendtrans-138.863.3-177.200000113.6
133A40.2Very low47.1Very low80 Ų80129.3 Ų129.366%0.66177%0.771SS**SBendtrans61.4134178.300000117.3Q135A133-Q135 PolarHBondContact O-N 3.5Å
134F49Very low47.1Very low211 Ų211129.6 Ų129.693%0.92577%0.77SS**SBendtrans64.321.1170.6-52.6-70.7000119.3
135Q49.5Very low47Very low116 Ų116128 Ų12854%0.54277%0.771SS.*PPolyproline II helixtrans-93.6126.3161.3-84.3-164.2-15.600112.6A133A133-Q135 PolarHBondContact O-N 3.5Å
136P54.2Low47Very low121 Ų121128.9 Ų128.979%0.78677%0.772SS**PPolyproline II helixtrans-73.3126.2157.531.2-30.6000109.1
137K45.6Very low46.1Very low144 Ų144134.5 Ų134.563%0.62678%0.776SS**PPolyproline II helixtrans-77.6124-178.9-68.5-174.7174.9-173.10111.4
138T47.4Very low46.2Very low147 Ų147129.9 Ų129.990%0.90277%0.769SS**PPolyproline II helixtrans-93.1119.1160.252.50000109.4
139S51.6Low46.3Very low106 Ų106129.3 Ų129.374%0.74176%0.763SS**  trans-139.7150.3174.953.50000110.7
140N44.9Very low46Very low147 Ų147130.4 Ų130.479%0.78677%0.765SS**  trans-69.7150.9-160.4-63.4-38.6000114.9I142N140-I142 VanDerWaalsContact C-N 3.34Å; N140-I142 PolarHBondContact O-N 3.16Å; N140-I142 VanDerWaalsContact O-N 3.14Å
141P44.6Very low46.1Very low130 Ų130129.7 Ų129.784%0.84477%0.765SS**SBendtrans-87.762.9178.837.6-36.7000112.2
142I53.4Low45.7Very low143 Ų143127.3 Ų127.373%0.73376%0.764SS**  trans-149.6103.3167.9-161.871.3000110.9N140N140-I142 VanDerWaalsContact C-N 3.34Å; N140-I142 PolarHBondContact O-N 3.16Å; N140-I142 VanDerWaalsContact O-N 3.14Å
143D48.7Very low45.9Very low149 Ų149132.7 Ų132.780%0.79777%0.768SS**  trans-170.2148.9130.4-115.1-31.3000113.3
144V49.9Very low45.9Very low114 Ų114134.2 Ų134.269%0.69177%0.77SS**  trans1.2111.5164.1-176.40000116.7A146V144-A146 HydrophobicContact CG1-CB 4.18Å
145A40.6Very low45.8Very low105 Ų105131.1 Ų131.187%0.86876%0.762SS**  cis65.155.148.800000115.8
146A45Very low45.8Very low82 Ų82133.3 Ų133.368%0.67878%0.777SS**  trans-153.277.9171.200000116.2V144V144-A146 HydrophobicContact CG1-CB 4.18Å
147R41.7Very low45.2Very low250 Ų250136.7 Ų136.794%0.94378%0.782SS**  trans171.4155.6132.5-95.7163.6157-131.2-8.8113.1
148P41.3Very low44.9Very low129 Ų129138.9 Ų138.984%0.83879%0.791SS**  trans-112.5156.5-161.640-31.5000115.9
149G41.1Very low44.5Very low64 Ų64136 Ų13666%0.6677%0.77SS**  trans126.9118.9151.200000117.3
150T41.8Very low44.4Very low140 Ų140137.7 Ų137.786%0.85978%0.779SS**  63.6113.9129.4-450000117.2
151V47.1Very low44.5Very low108 Ų108139.6 Ų139.666%0.65578%0.775SS**  cis-142.6147.218.4-173.70000109.8
152P41.1Very low44.9Very low112 Ų112141.8 Ų141.873%0.72778%0.779SS**  trans-85.4124.1168.133.2-31.6000112.4
153H45.6Very low44.9Very low189 Ų189141.1 Ų141.188%0.87578%0.781SS**  trans-112.8130.7158.1-95.8-67.9000110.2
154T40Very low44.8Very low112 Ų112137.1 Ų137.169%0.68776%0.76SS**  trans-111.8171.7-170.652.90000111.6
155L46Very low45.5Very low146 Ų146137.1 Ų137.176%0.76476%0.763SS**  trans72.4116.5169.3-8666.1000118.4
156L50.6Low46.1Very low162 Ų162141 Ų14185%0.84876%0.76SS**  trans65.6100.4136.5-53.9172.7000119.3
157Q40.6Very low46.5Very low191 Ų191146 Ų14689%0.89376%0.761SS**  178.487.2108.9-171.9-179.546.100112.1
158K39.8Very low47.2Very low191 Ų191139.9 Ų139.983%0.8375%0.754SS**  trans-155.5138.7156.8-140.571.4178.4-177.20114
159D39.6Very low47.7Very low86 Ų86140 Ų14046%0.4675%0.745SS.*  trans-28.5139.6-179-43.9-15.9000117.9R161D159-R161 HydrophobicContact CB-CB 4.1Å; D159-R161 VanDerWaalsContact CB-CD 3.48Å; D159-R161 HydrophobicContact CB-CG 3.6Å; D159-R161 PolarHBondContact O-N 2.88Å; D159-R161 WeakPolarHBondContact OD2-CD 3.28Å; D159-R161 IonicContact OD2-NH1 2.67Å; D159-R161 PolarHBondContact OD2-NH1 3.4Å
160P48.9Very low48.3Very low142 Ų142145.6 Ų145.692%0.92276%0.759SS**SBendtrans-64.961.6159.1-2336000113.7
161R47.7Very low49Very low186 Ų186148 Ų14870%0.70275%0.752SS**  trans-108.624.2-179.1-75173.174.1171.52.6113.6D159 T163D159-R161 HydrophobicContact CB-CB 4.1Å; D159-R161 VanDerWaalsContact CB-CD 3.48Å; D159-R161 HydrophobicContact CB-CG 3.6Å; D159-R161 PolarHBondContact O-N 2.88Å; D159-R161 WeakPolarHBondContact OD2-CD 3.28Å; D159-R161 IonicContact OD2-NH1 2.67Å; D159-R161 PolarHBondContact OD2-NH1 3.4Å; R161-T163 PolarHBondContact O-N 3.38Å; R161-T163 PolarHBondContact O-OG1 2.8Å
162L53Low49.6Very low177 Ų177152 Ų15293%0.92776%0.761SS**  trans-58.4112.5167.4-77.5173.3000108.7D164L162-D164 PolarHBondContact O-N 3.37Å
163T53.2Low50.7Low128 Ų128152.6 Ų152.679%0.78577%0.765SS**  trans-89.894-164.6-63.20000109.3R161 P165R161-T163 PolarHBondContact O-N 3.38Å; R161-T163 PolarHBondContact O-OG1 2.8Å; T163-P165 WeakPolarHBondContact O-CD 3.46Å
164D45.9Very low52Low65 Ų65146.2 Ų146.235%0.34875%0.75SS.*  trans-69.4114.2173.3176-0.7000110.5L162 F166 R167L162-D164 PolarHBondContact O-N 3.37Å; D164-F166 PolarHBondContact O-N 3.46Å; D164-F166 WeakPolarHBondContact OD1-CB 3.47Å; D164-F166 PolarHBondContact OD1-N 2.77Å; D164-R167 HydrophobicContact CB-CG 4.06Å; D164-R167 PolarHBondContact O-N 2.78Å; D164-R167 WeakPolarHBondContact OD2-CG 3.06Å; D164-R167 IonicContact OD2-NE 2.59Å; D164-R167 PolarHBondContact OD2-NE 3.11Å
165P64.9Low53.6Low115 Ų115151.1 Ų151.175%0.74776%0.762SS**THydrogen-bonded Turntrans-63.6-19.1-180-21.934.6000114.1T163T163-P165 WeakPolarHBondContact O-CD 3.46Å
166F53.5Low55.4Low187 Ų187153.4 Ų153.482%0.8276%0.76SS**THydrogen-bonded Turntrans-91.4-0.1-177.9-61.8-82.8000113.2D164 P168D164-F166 PolarHBondContact O-N 3.46Å; D164-F166 WeakPolarHBondContact OD1-CB 3.47Å; D164-F166 PolarHBondContact OD1-N 2.77Å; F166-P168 WeakPolarHBondContact O-CD 3.33Å
167R54.4Low57Low186 Ų186149 Ų14970%0.70274%0.742SS**SBendtrans-82.4117.5169.4-77.1174.6-169.3-110.8-6.9110.2D164 M169D164-R167 HydrophobicContact CB-CG 4.06Å; D164-R167 PolarHBondContact O-N 2.78Å; D164-R167 WeakPolarHBondContact OD2-CG 3.06Å; D164-R167 IonicContact OD2-NE 2.59Å; D164-R167 PolarHBondContact OD2-NE 3.11Å; R167-M169 PolarHBondContact O-N 3.01Å
168P55.7Low59.2Low122 Ų122143.7 Ų143.779%0.79273%0.731SS**PPolyproline II helixtrans-56.8116.6168.4-21.333.7000108.4F166 L170F166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-L170 PolarHBondContact O-N 2.88Å
169M51.5Low61.8Low132 Ų132140 Ų14065%0.6572%0.719SS**PPolyproline II helixtrans-51.9130.9177.7-76.9173.1-90.500109.3R167 R171R167-M169 PolarHBondContact O-N 3.01Å; M169-R171 HydrophobicContact CB-CG 4.15Å; M169-R171 PolarHBondContact O-N 3.46Å
170L54.5Low64.3Low181 Ų181141.1 Ų141.195%0.94872%0.721SS**  trans-68.558.9174.6-91.5156.8000111.7P168 K172P168-L170 PolarHBondContact O-N 2.88Å; L170-K172 PolarHBondContact O-N 3.37Å
171R56.4Low66.5Low189 Ų189138 Ų13871%0.71370%0.699SS**  trans-68.2116.7165.6-67.8178176.1165.7-2.2106.1M169M169-R171 HydrophobicContact CB-CG 4.15Å; M169-R171 PolarHBondContact O-N 3.46Å
172K59.9Low68.7Low194 Ų194133.8 Ų133.884%0.84369%0.687SS**  trans-44.9128178.3-63.1176.7-179.4178.50108.9L170 G174L170-K172 PolarHBondContact O-N 3.37Å; K172-G174 PolarHBondContact O-N 2.8Å; K172-G174 VanDerWaalsContact O-N 3.15Å
173P64.2Low70.7Confident124 Ų124128.9 Ų128.981%0.80566%0.661SS**  trans-48.1124.9179.6-30.536000110.5K175P173-K175 PolarHBondContact O-N 3.19Å
174G71.7Confident72.7Confident55 Ų55125.3 Ų125.357%0.56764%0.644SS**  trans-58.3132.6-174.600000110.2K172 W176K172-G174 PolarHBondContact O-N 2.8Å; K172-G174 VanDerWaalsContact O-N 3.15Å; G174-W176 PolarHBondContact O-N 3Å
175K74.5Confident75.1Confident214 Ų214129.5 Ų129.593%0.9366%0.655SS**  trans-66.7101.2170.7-70.7-172.5176.4-173.20107.9P173 C177P173-K175 PolarHBondContact O-N 3.19Å; K175-C177 PolarHBondContact O-N 2.8Å
176W84Confident76.6Confident194 Ų194128.5 Ų128.574%0.73564%0.641SS**  trans-61.9127.6174.3-68.776.5000108.9G174 H180 V181G174-W176 PolarHBondContact O-N 3Å; W176-H180 HydrophobicContact CE3-CB 4.05Å; W176-V181 HydrophobicContact CB-CG2 4.31Å
177C83.2Confident78.6Confident70 Ų70123.9 Ų123.947%0.47362%0.623SS.*  trans-69.9142.3169.5-176.10000108.9K175 M179 H180 V181K175-C177 PolarHBondContact O-N 2.8Å; C177-M179 PolarHBondContact O-N 2.97Å; C177-M179 VanDerWaalsContact O-N 3.12Å; C177-H180 WeakPolarHBondContact O-CB 3.28Å; C177-H180 PolarHBondContact O-N 3.47Å; C177-V181 PolarHBondContact O-N 3.11Å
178A87.4Confident80.6Confident80 Ų80120.3 Ų120.366%0.66161%0.611SS**Hα-helixtrans-53.4-33.5174.800000112.3H180 V181 H182A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.19Å; A178-V181 PolarHBondContact O-N 2.96Å; A178-H182 PolarHBondContact O-N 3.07Å
179M92.8Very high82.4Confident114 Ų114119.6 Ų119.656%0.56260%0.597SS**Hα-helixtrans-58.1-39.7173.1-1696471.900112.9C177 H182 I183C177-M179 PolarHBondContact O-N 2.97Å; C177-M179 VanDerWaalsContact O-N 3.12Å; M179-H182 PolarHBondContact O-N 2.9Å; M179-I183 HydrophobicContact CG-CD1 3.95Å; M179-I183 WeakPolarHBondContact O-CB 3.25Å; M179-I183 WeakPolarHBondContact O-CD1 3.06Å; M179-I183 VanDerWaalsContact O-CG1 3.26Å; M179-I183 WeakPolarHBondContact O-CG1 3.45Å; M179-I183 PolarHBondContact O-N 3.37Å; M179-I183 HydrophobicContact SD-CD1 4.38Å
180H93.7Very high84.5Confident109 Ų109119.2 Ų119.251%0.50559%0.593SS.*Hα-helixtrans-69.5-37.6177.4-63.9-179.3000111.5W176 C177 A178 A184W176-H180 HydrophobicContact CE3-CB 4.05Å; C177-H180 WeakPolarHBondContact O-CB 3.28Å; C177-H180 PolarHBondContact O-N 3.47Å; A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.19Å; H180-A184 WeakPolarHBondContact O-CB 3.4Å; H180-A184 PolarHBondContact O-N 3.19Å
181V93.8Very high86.4Confident76 Ų76116.4 Ų116.446%0.46158%0.575SS.*Hα-helixtrans-65.6-44176-176.50000110.2W176 C177 A178 A184 W185W176-V181 HydrophobicContact CB-CG2 4.31Å; C177-V181 PolarHBondContact O-N 3.11Å; A178-V181 PolarHBondContact O-N 2.96Å; V181-A184 PolarHBondContact O-N 2.85Å; V181-W185 WeakPolarHBondContact O-CB 3.37Å; V181-W185 PolarHBondContact O-N 2.8Å
182H94.7Very high87.9Confident97 Ų97110.5 Ų110.545%0.44956%0.555SS.*Hα-helixtrans-60.5-50176.3-173.982.1000112.3A178 M179 A184 W185 Q186A178-H182 PolarHBondContact O-N 3.07Å; M179-H182 PolarHBondContact O-N 2.9Å; H182-A184 PolarHBondContact O-N 2.88Å; H182-W185 PolarHBondContact O-N 3.38Å; H182-Q186 PolarHBondContact NE2-NE2 3.47Å; H182-Q186 VanDerWaalsContact NE2-NE2 3.11Å; H182-Q186 WeakPolarHBondContact O-CG 3.48Å; H182-Q186 PolarHBondContact O-N 3.25Å
183I94.3Very high89.4Confident75 Ų75107.6 Ų107.639%0.38554%0.543SS..Hα-helixtrans-62.9-42.7178.2-67.8165.8000110.9M179 W185 Q186 I187M179-I183 HydrophobicContact CG-CD1 3.95Å; M179-I183 WeakPolarHBondContact O-CB 3.25Å; M179-I183 WeakPolarHBondContact O-CD1 3.06Å; M179-I183 VanDerWaalsContact O-CG1 3.26Å; M179-I183 WeakPolarHBondContact O-CG1 3.45Å; M179-I183 PolarHBondContact O-N 3.37Å; M179-I183 HydrophobicContact SD-CD1 4.38Å; I183-W185 PolarHBondContact O-N 3.39Å; I183-Q186 PolarHBondContact O-N 3.12Å; I183-I187 HydrophobicContact CG2-CD1 3.75Å; I183-I187 HydrophobicContact CG2-CG1 4.45Å; I183-I187 WeakPolarHBondContact O-CB 3.3Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.16Å; I183-I187 PolarHBondContact O-N 3.48Å
184A95.9Very high90.4Very high52 Ų52104.2 Ų104.243%0.4352%0.52SS..Hα-helixtrans-63-40.6176.700000112.1H180 V181 H182 Y188H180-A184 WeakPolarHBondContact O-CB 3.4Å; H180-A184 PolarHBondContact O-N 3.19Å; V181-A184 PolarHBondContact O-N 2.85Å; H182-A184 PolarHBondContact O-N 2.88Å; A184-Y188 VanDerWaalsContact O-CB 3.25Å; A184-Y188 WeakPolarHBondContact O-CB 3.42Å; A184-Y188 PolarHBondContact O-N 2.9Å
185W96.4Very high91.1Very high154 Ų154107.1 Ų107.158%0.58352%0.517SS*.Hα-helixtrans-64.9-44.2174.7178.692.5000112V181 H182 I183 I187 Y188 H189V181-W185 WeakPolarHBondContact O-CB 3.37Å; V181-W185 PolarHBondContact O-N 2.8Å; H182-W185 PolarHBondContact O-N 3.38Å; I183-W185 PolarHBondContact O-N 3.39Å; W185-I187 PolarHBondContact O-N 2.89Å; W185-Y188 PolarHBondContact O-N 2.87Å; W185-H189 WeakPolarHBondContact O-CB 3.44Å; W185-H189 PolarHBondContact O-N 2.99Å
186Q96.3Very high91.3Very high94 Ų94104.6 Ų104.644%0.43951%0.506SS..Hα-helixtrans-60.1-46.5176-75.1-179.8-39.400111.7H182 I183 H189 H190H182-Q186 PolarHBondContact NE2-NE2 3.47Å; H182-Q186 VanDerWaalsContact NE2-NE2 3.11Å; H182-Q186 WeakPolarHBondContact O-CG 3.48Å; H182-Q186 PolarHBondContact O-N 3.25Å; I183-Q186 PolarHBondContact O-N 3.12Å; Q186-H189 PolarHBondContact O-N 2.89Å; Q186-H190 VanDerWaalsContact O-CB 3.28Å; Q186-H190 WeakPolarHBondContact O-CB 3.26Å; Q186-H190 PolarHBondContact O-N 3.27Å
187I95.5Very high90.7Very high89 Ų89101.9 Ų101.946%0.45650%0.501SS..Hα-helixtrans-62.9-45.5177-68.6168.2000110.5I183 W185 H190 Q191I183-I187 HydrophobicContact CG2-CD1 3.75Å; I183-I187 HydrophobicContact CG2-CG1 4.45Å; I183-I187 WeakPolarHBondContact O-CB 3.3Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.16Å; I183-I187 PolarHBondContact O-N 3.48Å; W185-I187 PolarHBondContact O-N 2.89Å; I187-H190 PolarHBondContact O-N 3.41Å; I187-Q191 WeakPolarHBondContact O-CB 3.21Å; I187-Q191 WeakPolarHBondContact O-CG 3.25Å; I187-Q191 PolarHBondContact O-N 3.32Å
188Y95.7Very high89.9Confident112 Ų112105.8 Ų105.844%0.43951%0.514SS..Hα-helixtrans-62-46.6177.6174.7-104.7000112.2A184 W185 H190 Q191 Q192A184-Y188 VanDerWaalsContact O-CB 3.25Å; A184-Y188 WeakPolarHBondContact O-CB 3.42Å; A184-Y188 PolarHBondContact O-N 2.9Å; W185-Y188 PolarHBondContact O-N 2.87Å; Y188-H190 PolarHBondContact O-N 2.93Å; Y188-Q191 PolarHBondContact O-N 3.41Å; Y188-Q192 HydrophobicContact CD1-CG 4.4Å; Y188-Q192 HydrophobicContact CD2-CG 4.37Å; Y188-Q192 HydrophobicContact CE1-CG 4Å; Y188-Q192 HydrophobicContact CE2-CG 3.98Å; Y188-Q192 WeakPolarHBondContact O-CB 3.49Å; Y188-Q192 WeakPolarHBondContact O-CG 3.38Å; Y188-Q192 PolarHBondContact O-N 2.95Å; Y188-Q192 PolarHBondContact OH-NE2 3.49Å
189H95Very high88.6Confident107 Ų107108.6 Ų108.650%0.49551%0.514SS..Hα-helixtrans-67-36.9178.9-170.4-103.7000111.8W185 Q186 Q192 K193W185-H189 WeakPolarHBondContact O-CB 3.44Å; W185-H189 PolarHBondContact O-N 2.99Å; Q186-H189 PolarHBondContact O-N 2.89Å; H189-Q192 PolarHBondContact O-N 3.48Å; H189-K193 WeakPolarHBondContact O-CB 3.3Å; H189-K193 PolarHBondContact O-N 2.9Å
190H94.7Very high86.7Confident124 Ų124106.9 Ų106.957%0.57451%0.513SS*.Hα-helixtrans-63.6-46.8171.7-173.892.5000111.5Q186 I187 Y188 Q192 K193 V194Q186-H190 VanDerWaalsContact O-CB 3.28Å; Q186-H190 WeakPolarHBondContact O-CB 3.26Å; Q186-H190 PolarHBondContact O-N 3.27Å; I187-H190 PolarHBondContact O-N 3.41Å; Y188-H190 PolarHBondContact O-N 2.93Å; H190-Q192 VanDerWaalsContact C-N 3.31Å; H190-Q192 PolarHBondContact O-N 3.35Å; H190-K193 PolarHBondContact O-N 3.14Å; H190-K193 VanDerWaalsContact O-N 3.16Å; H190-V194 WeakPolarHBondContact O-CG2 3.22Å; H190-V194 PolarHBondContact O-N 3.38Å
191Q93.7Very high84.2Confident122 Ų122104.7 Ų104.757%0.5751%0.505SS*.Hα-helixtrans-61-37.7174.6-74.4-179.223.700112.3I187 Y188 K195I187-Q191 WeakPolarHBondContact O-CB 3.21Å; I187-Q191 WeakPolarHBondContact O-CG 3.25Å; I187-Q191 PolarHBondContact O-N 3.32Å; Y188-Q191 PolarHBondContact O-N 3.41Å; Q191-K195 WeakPolarHBondContact O-CB 3.41Å; Q191-K195 PolarHBondContact O-N 2.93Å
192Q88.8Confident82.4Confident64 Ų64105.9 Ų105.930%0.29952%0.515SS..Hα-helixtrans-69.7-34.8174.5-71.6-71.818.400112.4Y188 H189 H190 K196Y188-Q192 HydrophobicContact CD1-CG 4.4Å; Y188-Q192 HydrophobicContact CD2-CG 4.37Å; Y188-Q192 HydrophobicContact CE1-CG 4Å; Y188-Q192 HydrophobicContact CE2-CG 3.98Å; Y188-Q192 WeakPolarHBondContact O-CB 3.49Å; Y188-Q192 WeakPolarHBondContact O-CG 3.38Å; Y188-Q192 PolarHBondContact O-N 2.95Å; Y188-Q192 PolarHBondContact OH-NE2 3.49Å; H189-Q192 PolarHBondContact O-N 3.48Å; H190-Q192 VanDerWaalsContact C-N 3.31Å; H190-Q192 PolarHBondContact O-N 3.35Å; Q192-K196 VanDerWaalsContact O-CB 3.3Å; Q192-K196 WeakPolarHBondContact O-CB 3.19Å; Q192-K196 VanDerWaalsContact O-CG 3.25Å; Q192-K196 WeakPolarHBondContact O-CG 3.4Å; Q192-K196 PolarHBondContact O-N 3.12Å
193K90.6Very high80.2Confident133 Ų133109.1 Ų109.158%0.57853%0.529SS*.Hα-helixtrans-66.4-49172.4-174.4177.9178.3-179.30111.2H189 H190 K195 K196 Q197H189-K193 WeakPolarHBondContact O-CB 3.3Å; H189-K193 PolarHBondContact O-N 2.9Å; H190-K193 PolarHBondContact O-N 3.14Å; H190-K193 VanDerWaalsContact O-N 3.16Å; K193-K195 PolarHBondContact O-N 3.24Å; K193-K196 PolarHBondContact O-N 2.81Å; K193-Q197 WeakPolarHBondContact O-CB 3.26Å; K193-Q197 PolarHBondContact O-N 2.84Å
194V86.8Confident78Confident53 Ų53113 Ų11332%0.32154%0.544SS..Hα-helixtrans-60.6-45.3176172.20000110.5H190 K196 Q197 M198H190-V194 WeakPolarHBondContact O-CG2 3.22Å; H190-V194 PolarHBondContact O-N 3.38Å; V194-K196 PolarHBondContact O-N 3.2Å; V194-Q197 CarbonylContact O-C 3.52Å; V194-Q197 PolarHBondContact O-N 3.32Å; V194-Q197 VanDerWaalsContact O-N 3.11Å; V194-M198 HydrophobicContact CG1-CG 4.19Å; V194-M198 HydrophobicContact CG1-SD 3.68Å; V194-M198 WeakPolarHBondContact O-CB 3.41Å; V194-M198 WeakPolarHBondContact O-CG 3.49Å; V194-M198 PolarHBondContact O-N 2.92Å
195K85Confident75.6Confident117 Ų117118.6 Ų118.651%0.50957%0.565SS.*Hα-helixtrans-61.4-43.3175.2-175.6173177.7176.50111.8Q191 K193 Q197 M198 Q199Q191-K195 WeakPolarHBondContact O-CB 3.41Å; Q191-K195 PolarHBondContact O-N 2.93Å; K193-K195 PolarHBondContact O-N 3.24Å; K195-Q197 VanDerWaalsContact C-N 3.26Å; K195-Q197 PolarHBondContact O-N 3.47Å; K195-M198 PolarHBondContact O-N 3.43Å; K195-Q199 WeakPolarHBondContact O-CA 3.25Å; K195-Q199 WeakPolarHBondContact O-CB 3.5Å; K195-Q199 PolarHBondContact O-N 3.29Å
196K79.2Confident73.2Confident160 Ų160116.5 Ų116.570%0.69657%0.566SS**Hα-helixtrans-64.9-27.6174.6-76.4176.7178.8-175.40113.3Q192 K193 V194 S200Q192-K196 VanDerWaalsContact O-CB 3.3Å; Q192-K196 WeakPolarHBondContact O-CB 3.19Å; Q192-K196 VanDerWaalsContact O-CG 3.25Å; Q192-K196 WeakPolarHBondContact O-CG 3.4Å; Q192-K196 PolarHBondContact O-N 3.12Å; K193-K196 PolarHBondContact O-N 2.81Å; V194-K196 PolarHBondContact O-N 3.2Å; K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.89Å; K196-S200 PolarHBondContact O-OG 2.91Å
197Q72.4Confident71Confident137 Ų137121.1 Ų121.164%0.6459%0.585SS**Hα-helixtrans-88.1-21.4177.8-173.7175.3-11.800113.7K193 V194 K195 S200K193-Q197 WeakPolarHBondContact O-CB 3.26Å; K193-Q197 PolarHBondContact O-N 2.84Å; V194-Q197 CarbonylContact O-C 3.52Å; V194-Q197 PolarHBondContact O-N 3.32Å; V194-Q197 VanDerWaalsContact O-N 3.11Å; K195-Q197 VanDerWaalsContact C-N 3.26Å; K195-Q197 PolarHBondContact O-N 3.47Å; Q197-S200 WeakPolarHBondContact CA-OG 3.43Å; Q197-S200 PolarHBondContact O-OG 3.37Å
198M65Low68.4Low152 Ų152120.4 Ų120.475%0.74960%0.599SS**Hα-helixtrans-95.7-21.4172.9-65.8-17676.200112.5V194 K195V194-M198 HydrophobicContact CG1-CG 4.19Å; V194-M198 HydrophobicContact CG1-SD 3.68Å; V194-M198 WeakPolarHBondContact O-CB 3.41Å; V194-M198 WeakPolarHBondContact O-CG 3.49Å; V194-M198 PolarHBondContact O-N 2.92Å; K195-M198 PolarHBondContact O-N 3.43Å
199Q59.7Low66Low139 Ų139122.4 Ų122.465%0.6562%0.617SS**SBendtrans-102.24.7172.6-158.8172.7-4.200111.9K195 D201K195-Q199 WeakPolarHBondContact O-CA 3.25Å; K195-Q199 WeakPolarHBondContact O-CB 3.5Å; K195-Q199 PolarHBondContact O-N 3.29Å; Q199-D201 PolarHBondContact O-N 3.45Å
200S52.9Low63.4Low78 Ų78123.5 Ų123.555%0.54562%0.62SS.*SBendtrans-73.371157.555.90000109.2K196 Q197K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.89Å; K196-S200 PolarHBondContact O-OG 2.91Å; Q197-S200 WeakPolarHBondContact CA-OG 3.43Å; Q197-S200 PolarHBondContact O-OG 3.37Å
201D41.4Very low61.3Low63 Ų63123.5 Ų123.534%0.33763%0.631SS.*  trans23101.8162.7-154.9-17.7000118Q199 H203 K204Q199-D201 PolarHBondContact O-N 3.45Å; D201-H203 PolarHBondContact O-N 2.64Å; D201-H203 VanDerWaalsContact OD1-CA 3.3Å; D201-H203 WeakPolarHBondContact OD1-CA 3.4Å; D201-H203 WeakPolarHBondContact OD1-CB 3.35Å; D201-H203 PolarHBondContact OD1-N 2.81Å; D201-K204 HydrophobicContact CB-CB 4Å; D201-K204 PolarHBondContact O-N 3.06Å; D201-K204 PolarHBondContact OD1-N 3.32Å; D201-K204 WeakPolarHBondContact OD2-CB 3.29Å; D201-K204 VanDerWaalsContact OD2-CD 3.25Å; D201-K204 WeakPolarHBondContact OD2-CD 3.49Å; D201-K204 WeakPolarHBondContact OD2-CG 3.25Å
202P56.4Low59.2Low102 Ų102123.7 Ų123.766%0.66263%0.632SS**THydrogen-bonded Turntrans-65.20.9168.828.4-33.9000114.1
203H49.1Very low57.4Low164 Ų164128.4 Ų128.476%0.75965%0.652SS**THydrogen-bonded Turntrans-127.215.4-178.9-54.5-57.9000114.3D201D201-H203 PolarHBondContact O-N 2.64Å; D201-H203 VanDerWaalsContact OD1-CA 3.3Å; D201-H203 WeakPolarHBondContact OD1-CA 3.4Å; D201-H203 WeakPolarHBondContact OD1-CB 3.35Å; D201-H203 PolarHBondContact OD1-N 2.81Å
204K46.9Very low55.4Low158 Ų158130 Ų13069%0.68767%0.665SS**  trans-130.439.3168.4-74.7-175.6-174.9-58.10113.8D201 D206D201-K204 HydrophobicContact CB-CB 4Å; D201-K204 PolarHBondContact O-N 3.06Å; D201-K204 PolarHBondContact OD1-N 3.32Å; D201-K204 WeakPolarHBondContact OD2-CB 3.29Å; D201-K204 VanDerWaalsContact OD2-CD 3.25Å; D201-K204 WeakPolarHBondContact OD2-CD 3.49Å; D201-K204 WeakPolarHBondContact OD2-CG 3.25Å; K204-D206 PolarHBondContact O-N 2.98Å; K204-D206 VanDerWaalsContact O-N 3.07Å
205L46.7Very low53.3Low169 Ų169132.7 Ų132.789%0.88569%0.686SS**  trans-85.359.3171.4-134.7168.8000110
206D45.9Very low51.3Low110 Ų110137.1 Ų137.159%0.58870%0.7SS**  trans-158.1116.8-154.6-155.466.4000108.6K204K204-D206 PolarHBondContact O-N 2.98Å; K204-D206 VanDerWaalsContact O-N 3.07Å
207F50.3Low49.9Very low191 Ų191134.7 Ų134.784%0.83870%0.7SS**SBendcis-133.8172-5.5-84.5-74000109.7
208G39.6Very low49.1Very low73 Ų73134.5 Ų134.575%0.75371%0.711SS**SBendtrans176.7-38.3163.500000115
209L45.9Very low48.1Very low155 Ų155130 Ų13081%0.81270%0.703SS**SBendtrans-97126.2173.9-62.8179.9000110.1
210K41.4Very low48Very low130 Ų130129.2 Ų129.257%0.56571%0.71SS**  trans-57.7136.3172.1-62.6179.267.1-1540109.4E212K210-E212 WeakPolarHBondContact CE-OE2 3.35Å; K210-E212 IonicContact NZ-OE2 3.46Å; K210-E212 PolarHBondContact NZ-OE2 3.23Å; K210-E212 PolarHBondContact O-N 3.29Å
211P49.5Very low47.4Very low124 Ų124131.2 Ų131.281%0.80572%0.724SS**THydrogen-bonded Turntrans-73.430.3-174.431.6-37.4000114.6
212E50.1Low48Very low125 Ų125134.6 Ų134.658%0.58474%0.742SS**THydrogen-bonded Turntrans-112.5-15.1-175.8-56.3-173.5118.700112.6K210K210-E212 WeakPolarHBondContact CE-OE2 3.35Å; K210-E212 IonicContact NZ-OE2 3.46Å; K210-E212 PolarHBondContact NZ-OE2 3.23Å; K210-E212 PolarHBondContact O-N 3.29Å
213F50.1Low47.5Very low164 Ų164139.2 Ų139.272%0.71975%0.752SS**SBendtrans-94.1-7.1-172-82.7-83.1000116
214L49.6Very low47Very low166 Ų166135 Ų13587%0.86975%0.753SS**SBendtrans-109-2.9178.3-65.1176.9000113.9
215S42.2Very low46.6Very low109 Ų109131.8 Ų131.876%0.76276%0.756SS**SBendtrans-95.55.8178.8-53.60000113.6
216R43.2Very low46.5Very low210 Ų210130.5 Ų130.579%0.79275%0.748SS**SBendtrans-135.2122179.7-170.1177.5-175.1-167.90.8110
217P50.3Low46.3Very low109 Ų109131.9 Ų131.971%0.70875%0.751SS**  trans-67.2149.4174.829-34.5000110.5G219P217-G219 PolarHBondContact O-N 2.81Å
218P54.9Low45.8Very low134 Ų134130.5 Ų130.587%0.8775%0.747SS**  trans-71.480.4174.130.3-34.7000110.5
219G43.4Very low46.1Very low56 Ų56132.1 Ų132.158%0.57774%0.744SS**  trans-65.7143.2170.100000111.1P217 S221P217-G219 PolarHBondContact O-N 2.81Å; G219-S221 PolarHBondContact O-N 2.79Å
220P57.7Low46.2Very low123 Ų123133 Ų13380%0.79974%0.744SS**  trans-65.5122.4-17626.5-34.2000111.2L222P220-L222 PolarHBondContact O-N 3.09Å
221S40.7Very low46.1Very low120 Ų120132.6 Ų132.684%0.83975%0.748SS**  trans-80107.9174.6-171.30000109.9G219G219-S221 PolarHBondContact O-N 2.79Å
222L54Low46Very low135 Ų135133.9 Ų133.971%0.70775%0.747SS**  trans-138.598.9173.3-73.9178.8000110P220P220-L222 PolarHBondContact O-N 3.09Å
223F45.6Very low45.6Very low199 Ų199132.3 Ų132.387%0.87376%0.755SS**  trans64.6145173.1-48.1-82.8000116.1
224G37.8Very low45.1Very low76 Ų76135.7 Ų135.778%0.78476%0.763SS**  cis114.938.2-2.500000115.4
225A40.2Very low44.8Very low90 Ų90133.6 Ų133.674%0.74476%0.76SS**  trans-146.395.6171.600000113.2
226I44.7Very low44.6Very low141 Ų141133.3 Ų133.372%0.72376%0.758SS**  trans14.4143.3139.55.5173.7000122
227H40.7Very low44.5Very low140 Ų140129.4 Ų129.465%0.64876%0.757SS**  trans69.5149.1163-47.4-64.5000117.3
228H39.5Very low44Very low161 Ų161130.9 Ų130.975%0.74576%0.758SS**  cis-160.1163.4-23.5-99.7-27.7000108.9
229P46.4Very low43.2Very low108 Ų108133.7 Ų133.770%0.70176%0.757SS**  trans-85.9175.2-177.636.2-36.9000114.5
230H47.3Very low42.8Very low174 Ų174136.6 Ų136.681%0.80677%0.769SS**  trans95.6144.1-167.1-75.2-84.3000113.8
231D39.6Very low41.8Very low121 Ų121136 Ų13665%0.64777%0.774SS**  cis-154.4176.4-17.7-144.3-32.9000110.2
232L47.3Very low41.7Very low151 Ų151134.9 Ų134.979%0.79177%0.773SS**  trans18.4142.5154.1-79.9159.6000122.4
233A41.4Very low40.7Very low92 Ų92131.9 Ų131.976%0.7677%0.774SS**  trans77.397.4152.100000120
234R40.8Very low40.4Very low234 Ų234126.8 Ų126.888%0.88377%0.768SS**  -14.9148.1129.5-82.4178.2174176.2-2.3115.2
235P42.9Very low40.2Very low122 Ų122127.8 Ų127.879%0.79277%0.769SS**  -142.9176.850.440.8-22.8000118
236S38.9Very low40Very low103 Ų103132.2 Ų132.272%0.7277%0.774SS**  trans-58.9148.1175.1-32.70000113.7
237T40.9Very low40Very low128 Ų128131 Ų13179%0.78578%0.776SS**  -173.3140.4125.619.20000113.7
238L39Very low39.9Very low140 Ų140131.3 Ų131.373%0.73379%0.788SS**  trans53.9108.9141.5-55.6169.4000122.2
239F39.1Very low40.1Very low193 Ų193126.7 Ų126.785%0.84678%0.784SS**  trans73.4166.8131-83.5-85000123.1
240S35Very low40.2Very low118 Ų118128.5 Ų128.583%0.82579%0.793SS**  trans81.9122.5165.7-66.40000118.8
241A37.1Very low40.3Very low109 Ų109125.5 Ų125.590%0.90179%0.789SS**  trans-90143.1167.600000110.6
242A38.2Very low40.8Very low98 Ų98130.2 Ų130.281%0.8180%0.804SS**  trans-147.2131.2163.300000107.2
243G33.5Very low41Very low71 Ų71126.5 Ų126.573%0.73280%0.802SS**  cis83.484.67.500000111.6
244A37.9Very low41.4Very low92 Ų92128.1 Ų128.176%0.7680%0.804SS**SBendtrans37.589.116500000117.8
245A33.6Very low42.2Very low97 Ų97122.6 Ų122.680%0.80280%0.799SS**  trans7.1106151.500000119.3
246H36.1Very low42.4Very low183 Ų183122.1 Ų122.185%0.84780%0.796SS**  trans-142.8156.1155.8-80.8-64.7000111.1
247P44.3Very low42.4Very low116 Ų116125.4 Ų125.475%0.75380%0.8SS**  trans-89.9168.2-16335.1-37.2000116.3
248T38.4Very low42.6Very low147 Ų147127.6 Ų127.690%0.90280%0.8SS**  trans-42.8139.117548.30000116.5
249G44.4Very low42.6Very low64 Ų64125.5 Ų125.566%0.6680%0.797SS**  trans-166.334.5-176.600000121.6
250T49.2Very low42.6Very low145 Ų145122.4 Ų122.489%0.8979%0.79SS**  trans62.2160.1164.4620000120.2
251P49.5Very low42.9Very low111 Ų111125.5 Ų125.572%0.72179%0.789SS**  trans-130.291.6-166.437.8-17.3000115.7
252F48.5Very low43.6Very low221 Ų221128.4 Ų128.497%0.96979%0.788SS**  trans-154111.2162.7-91.3-74.4000111.4
253G52.9Low43.7Very low72 Ų72130.4 Ų130.474%0.74279%0.785SS**  trans160.2134.1172.700000114
254P48.7Very low44.4Very low126 Ų126132.5 Ų132.582%0.81879%0.786SS**  trans-89.9148.6178.634.8-33.8000113.4
255P59Low44.3Very low119 Ų119131.9 Ų131.977%0.77378%0.781SS**  trans-80.3156.6170.236.2-36.2000111.1
256P47.1Very low44.5Very low111 Ų111132 Ų13272%0.72178%0.781SS**  -155.5155.692.938.2-18.6000119
257H38.5Very low45Very low173 Ų173131.6 Ų131.680%0.80178%0.78SS**  trans58.2135.4142.2-73.6-58.2000125.1
258H44.1Very low45.2Very low173 Ų173132.2 Ų132.280%0.80178%0.776SS**  trans85.3162.6130.191.9-49000125.4
259S40.5Very low45.5Very low96 Ų96133 Ų13367%0.67177%0.77SS**  trans59.1100.7177.257.70000117.8
260N39.1Very low45.5Very low128 Ų128133.3 Ų133.368%0.68476%0.76SS**  66.5136.358-145.768000115.6
261F40.4Very low45.3Very low183 Ų183135.2 Ų135.280%0.80376%0.756SS**  trans90.6146.1170.3-55.9-71.7000120.8
262L50.8Low45Very low170 Ų170137.1 Ų137.189%0.8976%0.76SS**  trans77.2134.8166.5-50.2-171.8000119.4
263N41.6Very low44.6Very low141 Ų141136.8 Ų136.875%0.75475%0.752SS**  trans-120.7131.2178.6163.148.1000109.6A265N263-A265 PolarHBondContact OD1-N 3.41Å
264P47.2Very low44.2Very low114 Ų114139.7 Ų139.774%0.7476%0.758SS**  trans-121.6127.6144.534.2-23.3000110.1
265A35.7Very low43.7Very low79 Ų79137 Ų13765%0.65374%0.742SS**  cis87.6128.141.400000115.4N263N263-A265 PolarHBondContact OD1-N 3.41Å
266A39.1Very low43Very low99 Ų99137.4 Ų137.482%0.81874%0.743SS**  trans74172.1162.200000119.8
267H46.9Very low42.7Very low175 Ų175141.2 Ų141.281%0.8175%0.748SS**  trans73.9118.9174.4-125.8-114.3000116
268L48.1Very low42.8Very low129 Ų129139 Ų13968%0.67575%0.747SS**  cis-147.7144.1-13.3-84177.8000107
269E45.3Very low42.7Very low165 Ų165133.7 Ų133.777%0.77174%0.74SS**  68.8141.279.3-116.8-93.4138.400114.3
270P44.4Very low43.1Very low69 Ų69137.1 Ų137.145%0.44875%0.75SS.*  -133.7-171.7-51.143.7-31.5000113.4
271F43.4Very low43Very low185 Ų185135.4 Ų135.481%0.81175%0.754SS**  162.1147.2124.6-91.3-66.5000113.6
272N44.6Very low42.8Very low152 Ų152131.3 Ų131.381%0.81375%0.753SS**  trans54.185.3167.9-68.5-31.5000119.3
273R38.7Very low42.5Very low213 Ų213130.1 Ų130.180%0.80475%0.753SS**  trans-87.5166.3136.6-63.5-173.4179.3-163.70.4108.9
274P44.5Very low42.2Very low133 Ų133127 Ų12786%0.86475%0.754SS**  -122.4155.192.835.8-34.2000113.3
275S39.7Very low42.2Very low69 Ų69125.1 Ų125.148%0.48376%0.756SS.*  trans-131.7129177.7178.40000109.6
276T43.3Very low42.1Very low128 Ų128129.1 Ų129.179%0.78577%0.766SS**  trans-149.8122.7168.9-21.10000106
277F41.4Very low41.7Very low191 Ų191128.7 Ų128.784%0.83876%0.762SS**  cis-97.9154.63.2-99.8-117.3000113.7
278T39.6Very low41.5Very low126 Ų126131 Ų13177%0.77377%0.771SS**  trans-143.5131.6154.8-78.30000105.7
279G43.4Very low41.3Very low63 Ų63128.7 Ų128.765%0.64978%0.777SS**  trans-151.185.5-165.600000113.9
280L46.9Very low41.2Very low167 Ų167124.5 Ų124.587%0.87478%0.779SS**  trans60.5112.3159.7-47179.5000115.8
281A37.4Very low41.5Very low93 Ų93130 Ų13077%0.76980%0.803SS**  78.6164.156.400000113.9
282A37.7Very low41.5Very low96 Ų96124.9 Ų124.979%0.79380%0.803SS**  trans-68-179.1-164.200000115.4
283V44.5Very low41.1Very low145 Ų145125.3 Ų125.388%0.87981%0.805SS**  trans74.2124.6-156-170.40000109
284G33.8Very low41.5Very low75 Ų75120.5 Ų120.577%0.77380%0.802SS**  cis117.677.926.300000106.6
285G47.5Very low41.1Very low76 Ų76118.9 Ų118.978%0.78479%0.793SS**  trans-14351-155.600000114.5
286N34.3Very low41.4Very low163 Ų163121.3 Ų121.387%0.87281%0.805SS**  trans-64.3143.4158.7-88.223.2000109.6
287A31.3Very low41Very low90 Ų90121.3 Ų121.374%0.74481%0.805SS**  trans58.388.4158.400000119
288F41.2Very low41.1Very low224 Ų224117.4 Ų117.498%0.98280%0.799SS**  trans-152130.3139.9-95.8-78.9000108.1
289G44.3Very low41.1Very low79 Ų79119 Ų11981%0.81480%0.802SS**  cis-176.6124.2-12.300000109.2
290G43.2Very low41.1Very low78 Ų78120.8 Ų120.880%0.80481%0.805SS**  trans-174.670.6-167.900000114.3
291L50.4Low41Very low184 Ų184118.3 Ų118.396%0.96380%0.797SS**  trans-37.3136.3-179.9-48.9171.2000114.8
292G43.4Very low41.4Very low78 Ų78124 Ų12480%0.80481%0.805SS**  cis-171.7178.32.600000115.7
293N37.5Very low41.4Very low161 Ų161122.8 Ų122.886%0.86180%0.801SS**  trans-90.7-170.9-179-123.5-13.7000110.9
294P45.9Very low41.3Very low112 Ų112124.5 Ų124.573%0.72780%0.799SS**  cis-123.6-169.9445.1-28.6000112.9
295S37Very low41.7Very low98 Ų98128.5 Ų128.569%0.68580%0.796SS**  cis-158.614613.2-151.70000114.2
296V44.5Very low41.5Very low120 Ų120131.8 Ų131.873%0.72780%0.795SS**  trans15.5129.1141.3-160.90000117.8
297T36.2Very low41.3Very low128 Ų128129.6 Ų129.679%0.78579%0.793SS**  -173.3150.867.8-36.20000112
298P42.5Very low41.8Very low110 Ų110131.2 Ų131.271%0.71480%0.796SS**  trans-109.9147.3177.838.4-31.8000116.6
299N39.6Very low41.6Very low158 Ų158125.9 Ų125.985%0.84579%0.786SS**  trans-168.3166.7164.3-119.2-105000108.6
300S43.8Very low41.6Very low101 Ų101128 Ų12871%0.70678%0.783SS**  cis-150.4-162.51.2-154.70000111
301V44.1Very low41.4Very low116 Ų116132.6 Ų132.670%0.70378%0.783SS**  trans-102.3145.5172.2-68.40000113.1
302F47.3Very low40.7Very low212 Ų212129.5 Ų129.593%0.9377%0.768SS**  trans166.5158.8135-98.8-68.9000110.1
303G37.7Very low40.6Very low70 Ų70134.9 Ų134.972%0.72277%0.769SS**  trans-162161.1176.800000113.5
304H42.9Very low40.6Very low181 Ų181132.4 Ų132.484%0.83877%0.765SS**  trans-136.3172.7168.9-156.1-92.4000110.5
305K40.7Very low40.1Very low160 Ų160134.2 Ų134.270%0.69677%0.768SS**  trans-121.5169.7-161.4-55.6170.5177.4-71.10113.6
306D43.3Very low40.9Very low144 Ų144135.2 Ų135.277%0.7777%0.773SS**  trans91.3140.5146.7-55.4-42.2000122.1
307S31.4Very low41Very low118 Ų118135.1 Ų135.183%0.82576%0.764SS**  trans81.5104.6159.3-145.30000120.8
308P41.9Very low41.9Very low124 Ų124133.6 Ų133.681%0.80575%0.748SS**  trans-106.8149.1167.637.7-29.6000113.6
309S35.1Very low42.9Very low112 Ų112132.5 Ų132.578%0.78374%0.741SS**  trans-155.7134.2163.9-159.50000114
310V44.7Very low43.4Very low122 Ų122134 Ų13474%0.73974%0.735SS**  trans15124.3166.4-58.50000121.1
311Q40.1Very low44Very low176 Ų176132.1 Ų132.182%0.82272%0.717SS**  178.1146.192.8-91.5-160.710.500113.2
312N34.3Very low44.7Very low118 Ų118136.1 Ų136.163%0.63172%0.719SS**  trans56128.6151.2-158.117.6000120
313F41Very low45.5Very low191 Ų191132.6 Ų132.684%0.83871%0.709SS**  -174.6154.8113.4-92.5-57.1000113.1
314S37.8Very low46.3Very low110 Ų110137.7 Ų137.777%0.76971%0.714SS**  trans-69.7158.9-169.4-170.20000115.3
315N36.8Very low47Very low149 Ų149135.9 Ų135.980%0.79770%0.7SS**  trans-53.4133.2176.2-103-52.2000113.7H317N315-H317 PolarHBondContact O-N 3.06Å; N315-H317 VanDerWaalsContact O-N 3.14Å
316P52.9Low47.4Very low120 Ų120133.2 Ų133.278%0.77970%0.697SS**  trans-7797.9170.231.6-32.5000110.3E318P316-E318 PolarHBondContact O-N 3.24Å
317H46.3Very low47.8Very low117 Ų117129.6 Ų129.654%0.54268%0.681SS.*  trans-70.1125.8-176.1-147.1-41.7000111.9N315 N321 R325N315-H317 PolarHBondContact O-N 3.06Å; N315-H317 VanDerWaalsContact O-N 3.14Å; H317-N321 PolarHBondContact CE1-ND2 2.84Å; H317-N321 PolarHBondContact CE1-OD1 3.42Å; H317-N321 PolarHBondContact ND1-ND2 3.2Å; H317-R325 PolarHBondContact CD2-NH2 3.49Å; H317-R325 PolarHBondContact NE2-NH2 3.11Å
318E54.8Low49.2Very low96 Ų96130 Ų13045%0.44968%0.681SS.*  trans-36.6131.9-177.5-161.666-130.200115.2P316 W320 N321P316-E318 PolarHBondContact O-N 3.24Å; E318-W320 HydrophobicContact CG-CB 3.93Å; E318-W320 HydrophobicContact CG-CG 4.17Å; E318-W320 PolarHBondContact O-N 3.04Å; E318-N321 WeakPolarHBondContact O-CB 3.45Å; E318-N321 PolarHBondContact O-N 2.82Å
319P63.8Low50.2Low87 Ų87128.9 Ų128.957%0.56568%0.676SS**THydrogen-bonded Turntrans-59.1-23.517823-34.3000113.7N321 R322P319-N321 VanDerWaalsContact C-N 3.27Å; P319-N321 PolarHBondContact O-N 3.47Å; P319-R322 WeakPolarHBondContact O-CA 3.33Å; P319-R322 WeakPolarHBondContact O-CB 3.48Å; P319-R322 PolarHBondContact O-N 3.37Å
320W51Low50.8Low190 Ų190130 Ų13072%0.7267%0.667SS**THydrogen-bonded Turntrans-62.2-31.8171.8-6670.2000112.7E318 R322 L323E318-W320 HydrophobicContact CG-CB 3.93Å; E318-W320 HydrophobicContact CG-CG 4.17Å; E318-W320 PolarHBondContact O-N 3.04Å; W320-R322 PolarHBondContact O-N 3.35Å; W320-L323 PolarHBondContact O-N 2.96Å
321N56.1Low51.7Low61 Ų61129.9 Ų129.933%0.32667%0.669SS.*Hα-helixtrans-68.3-20.2172.6-82.3-99.8000112.2H317 E318 P319 L323 H324 R325H317-N321 PolarHBondContact CE1-ND2 2.84Å; H317-N321 PolarHBondContact CE1-OD1 3.42Å; H317-N321 PolarHBondContact ND1-ND2 3.2Å; E318-N321 WeakPolarHBondContact O-CB 3.45Å; E318-N321 PolarHBondContact O-N 2.82Å; P319-N321 VanDerWaalsContact C-N 3.27Å; P319-N321 PolarHBondContact O-N 3.47Å; N321-L323 PolarHBondContact O-N 2.67Å; N321-H324 PolarHBondContact O-N 3.01Å; N321-R325 VanDerWaalsContact O-CB 3.25Å; N321-R325 WeakPolarHBondContact O-CB 3.17Å; N321-R325 WeakPolarHBondContact O-CD 3.33Å; N321-R325 WeakPolarHBondContact O-CG 3.23Å; N321-R325 PolarHBondContact O-N 2.75Å
322R58.8Low52.5Low200 Ų200127 Ų12776%0.75566%0.664SS**Hα-helixtrans-73.6-10.9176.1-142.6178.5-163.9-131.26.6113.3P319 W320P319-R322 WeakPolarHBondContact O-CA 3.33Å; P319-R322 WeakPolarHBondContact O-CB 3.48Å; P319-R322 PolarHBondContact O-N 3.37Å; W320-R322 PolarHBondContact O-N 3.35Å
323L63.6Low53.7Low139 Ų139126.2 Ų126.273%0.72867%0.665SS**Hα-helixtrans-92.3-23.7174.1-63.7170.8000113.1W320 N321W320-L323 PolarHBondContact O-N 2.96Å; N321-L323 PolarHBondContact O-N 2.67Å
324H55.7Low54.8Low177 Ų177122.2 Ų122.282%0.81966%0.658SS**Hα-helixtrans-109.2-20-179.1-66-63.7000114.1N321N321-H324 PolarHBondContact O-N 3.01Å
325R55.7Low56.3Low143 Ų143122.6 Ų122.654%0.5466%0.658SS.*SBendtrans-71.7140162.2-70.2168.3177.4-94.11.5108.6H317 N321H317-R325 PolarHBondContact CD2-NH2 3.49Å; H317-R325 PolarHBondContact NE2-NH2 3.11Å; N321-R325 VanDerWaalsContact O-CB 3.25Å; N321-R325 WeakPolarHBondContact O-CB 3.17Å; N321-R325 WeakPolarHBondContact O-CD 3.33Å; N321-R325 WeakPolarHBondContact O-CG 3.23Å; N321-R325 PolarHBondContact O-N 2.75Å
326T50.8Low56.7Low104 Ų104127 Ų12764%0.63866%0.664SS**PPolyproline II helixtrans-51.2133.3170.635.90000110
327P50.4Low56.4Low67 Ų67129.5 Ų129.544%0.43567%0.669SS.*PPolyproline II helixtrans-62.3145.2-179.724.7-32.2000109.8S329 F330P327-S329 PolarHBondContact O-N 3.42Å; P327-F330 HydrophobicContact CG-CD2 4.06Å; P327-F330 PolarHBondContact O-N 2.99Å
328P61.2Low56.3Low128 Ų128133.2 Ų133.283%0.83168%0.684SS**THydrogen-bonded Turntrans-67.27.8-172.627.9-36.2000114.8
329S62.2Low56.1Low99 Ų99135.1 Ų135.169%0.69271%0.705SS**THydrogen-bonded Turntrans-92.4-4.1171.361.20000114P327P327-S329 PolarHBondContact O-N 3.42Å
330F48.5Very low54.8Low136 Ų136134.6 Ų134.660%0.59672%0.715SS**SBendtrans-87.5132.5174.1-97.4-99000111.5P327 T332P327-F330 HydrophobicContact CG-CD2 4.06Å; P327-F330 PolarHBondContact O-N 2.99Å; F330-T332 PolarHBondContact O-N 3.43Å
331P63.8Low54Low119 Ų119135.1 Ų135.177%0.77373%0.725SS**  trans-65.6108.4173.527.5-32.9000108.9
332T56.3Low53.4Low116 Ų116139.7 Ų139.771%0.71275%0.749SS**PPolyproline II helixtrans-69.2124.6175.3-62.60000108.2F330F330-T332 PolarHBondContact O-N 3.43Å
333P60Low52.4Low102 Ų102138.2 Ų138.266%0.66275%0.75SS**PPolyproline II helixtrans-63.1145.4179.126.7-34.2000110.1
334P63.6Low51.3Low106 Ų106143.6 Ų143.669%0.68876%0.761SS**PPolyproline II helixtrans-54.8132.8-179.9-26.634.8000111.6W336P334-W336 PolarHBondContact O-N 3.19Å; P334-W336 VanDerWaalsContact O-N 3.08Å
335P69.4Low50.6Low118 Ų118140.1 Ų140.177%0.76676%0.757SS**  trans-65.2112.9175.426.6-32.8000109L337P335-L337 PolarHBondContact O-N 3.02Å
336W46.6Very low49.6Very low243 Ų243138.1 Ų138.192%0.9277%0.77SS**  trans-62.4121.5173.7-81.865.3000109.2P334 K338P334-W336 PolarHBondContact O-N 3.19Å; P334-W336 VanDerWaalsContact O-N 3.08Å; W336-K338 PolarHBondContact O-N 2.93Å; W336-K338 VanDerWaalsContact O-N 3.11Å
337L46.2Very low48.9Very low172 Ų172138.5 Ų138.590%0.90178%0.778SS**  trans-61.2113.2-178-62174.8000110P335P335-L337 PolarHBondContact O-N 3.02Å
338K44.8Very low48.2Very low195 Ų195140.1 Ų140.185%0.84880%0.797SS**  trans-89.2138.5163.4-70.3-174.8176.9-177.80108.5W336 G340W336-K338 PolarHBondContact O-N 2.93Å; W336-K338 VanDerWaalsContact O-N 3.11Å; K338-G340 PolarHBondContact O-N 3.24Å
339P49.9Very low47.1Very low136 Ų136138.9 Ų138.988%0.88380%0.797SS**  trans-70.2127.7-168.6-21.834.6000114.4
340G35.7Very low46Very low75 Ų75138.8 Ų138.877%0.77380%0.802SS**  trans46.194.9142.400000120.1K338K338-G340 PolarHBondContact O-N 3.24Å
341E34.8Very low45.9Very low202 Ų202141 Ų14194%0.94481%0.814SS**  trans-101.8120.9139.8-73-174.8-158.600108
342L44.3Very low44.8Very low157 Ų157140.7 Ų140.782%0.82281%0.806SS**  trans-108.398.8-177.6-176.169.5000111
343E37.6Very low44.4Very low168 Ų168146.1 Ų146.179%0.78581%0.813SS**  trans38.8148141.5-59.1-169.414600122.9
344R40.9Very low43.4Very low253 Ų253149 Ų14996%0.95582%0.824SS**  trans-124.784.8157.7-82.7-173.2170.1137.1-1.4111.7
345S39.7Very low42.3Very low104 Ų104154.5 Ų154.573%0.72783%0.83SS**  trans31.9126144.2-48.50000122.2
346A35.7Very low40.7Very low100 Ų100155.8 Ų155.883%0.82683%0.831SS**  trans-149.178.8134.200000109.2
347S34.9Very low40.7Very low113 Ų113151.4 Ų151.479%0.7983%0.83SS**  87.895.584.4-70.10000115.1
348A37.4Very low40.4Very low101 Ų101149.1 Ų149.184%0.83582%0.819SS**  trans-160.9135.9156.900000113.9
349A37.6Very low40.1Very low102 Ų102147.3 Ų147.384%0.84381%0.811SS**  trans71.2138.2158.400000122.4
350A39.5Very low39.5Very low96 Ų96150.8 Ų150.879%0.79381%0.807SS**  trans55.1103162.800000118.4
351H45.5Very low39.5Very low182 Ų182153.2 Ų153.284%0.84380%0.802SS**  cis87143.849.2-166-75.1000114.4
352D40.6Very low39.8Very low114 Ų114149.5 Ų149.561%0.6180%0.798SS**  trans77.268175-138.981.4000118.3
353R48.3Very low39.3Very low229 Ų229146.2 Ų146.286%0.86479%0.788SS**  178.471.9119.9-93.3161.2-160.9-169.72.3112.1
354D38.2Very low39.2Very low164 Ų164145.2 Ų145.288%0.87779%0.794SS**  trans-100.389.1161.2-159.1-51.9000107.6
355R40.6Very low39.2Very low221 Ų221137.6 Ų137.683%0.83478%0.779SS**  trans-171.2141.7176.5-109174.2-168.4174.24.2110.7
356D35.8Very low38.8Very low145 Ų145140.3 Ų140.378%0.77578%0.778SS**  trans37.481.6158.4-68.9-107.6000119.4
357V47Very low39.2Very low150 Ų150140.6 Ų140.691%0.90977%0.765SS**  trans-136.633.8135.8-720000111.8K359V357-K359 PolarHBondContact O-N 2.87Å
358D40.1Very low39.9Very low124 Ų124140.4 Ų140.466%0.66376%0.755SS**SBendtrans-83109167.4-169.3-71.9000109
359K37.4Very low40.3Very low158 Ų158145.9 Ų145.969%0.68776%0.76SS**SBendtrans87.7137.6-176.1-49.4156.8-169.868.90116.4V357V357-K359 PolarHBondContact O-N 2.87Å
360R38.1Very low40.7Very low209 Ų209146.4 Ų146.479%0.78975%0.745SS**  trans88.9154.1145.1-142.4174-71.5179.9-1.3117.8
361D35.9Very low41Very low126 Ų126151.3 Ų151.367%0.67474%0.743SS**  trans60.6107.9174.1-52.8-47.7000116.2
362S41.1Very low41Very low123 Ų123149.6 Ų149.686%0.8674%0.736SS**  cis-122.4135.225.7-46.40000113.6
363S33.7Very low41Very low88 Ų88150.2 Ų150.262%0.61575%0.749SS**  cis103.84317.6860000117.8
364V35.9Very low40.4Very low148 Ų148144 Ų14490%0.89774%0.736SS**  trans-168.3137.8151.4130.70000107.4
365S40.2Very low40.4Very low93 Ų93141.3 Ų141.365%0.6572%0.718SS**  cis-119.1134.5-15-1650000105.4
366K31Very low40.1Very low160 Ų160136.9 Ų136.970%0.69671%0.705SS**  51.9126.168.2-150.9-161.5165.3-70.50112
367D43.8Very low40.4Very low106 Ų106139.4 Ų139.457%0.56770%0.704SS**  trans81121.8172.1-47.6-36.2000115.7
368D51Low40Very low109 Ų109140 Ų14058%0.58370%0.696SS**  cis-151.6168.6-11.9-140.8-65.9000113.7E370D368-E370 HydrophobicContact CB-CG 4.06Å; D368-E370 PolarHBondContact OD1-N 3.43Å
369K44.5Very low40.1Very low216 Ų216139.2 Ų139.294%0.93970%0.698SS**SBendtrans-110.531.3171.2-161.3-178.7173.9178.80110.9
370E46.8Very low40.2Very low113 Ų113136.1 Ų136.153%0.52870%0.696SS.*  trans-127.1156.1171.373.6175.1-152.600110.4D368D368-E370 HydrophobicContact CB-CG 4.06Å; D368-E370 PolarHBondContact OD1-N 3.43Å
371R46.5Very low40Very low199 Ų199133.9 Ų133.975%0.75169%0.694SS**  trans63125.1-169.4-60.4-177.3-174.775.48113
372E44.3Very low40.7Very low147 Ų147133.7 Ų133.769%0.68770%0.7SS**  cis-162.1118.82.5-171.1153.6-166.300107.1V374E372-V374 HydrophobicContact CG-CB 4.5Å; E372-V374 HydrophobicContact CG-CG1 3.35Å; E372-V374 WeakPolarHBondContact OE1-CG1 3.31Å
373S40.3Very low40.8Very low127 Ų127132 Ų13289%0.88869%0.689SS**  cis75.116.528.2-156.90000116.5
374V37.4Very low40.8Very low97 Ų97133.3 Ų133.359%0.58870%0.695SS**  trans-155.3141154.644.10000107.9E372E372-V374 HydrophobicContact CG-CB 4.5Å; E372-V374 HydrophobicContact CG-CG1 3.35Å; E372-V374 WeakPolarHBondContact OE1-CG1 3.31Å
375E36.2Very low40.6Very low108 Ų108130.4 Ų130.451%0.50569%0.686SS.*  cis-168.9160.8-20.8176163.7127.400107.8R377E375-R377 IonicContact OE1-NH2 3.12Å
376K36.3Very low40.6Very low128 Ų128131.9 Ų131.956%0.55769%0.694SS**  trans-5.9124.5155.5-44.2147.7-149150.90114.9
377R41.6Very low41.4Very low199 Ų199130 Ų13075%0.75170%0.697SS**  -179.3121.2113.5-90.7153.5-119.2106.1-3.7107.1E375E375-R377 IonicContact OE1-NH2 3.12Å
378H37.8Very low41.3Very low161 Ų161130.4 Ų130.475%0.74570%0.704SS**  61.1143.158.4-61.2-65000112.4
379P42.3Very low41.7Very low109 Ų109131.5 Ų131.571%0.70872%0.717SS**  cis-131.1178.520.240.4-23.4000116.3
380S40Very low41.4Very low92 Ų92126.3 Ų126.364%0.64370%0.703SS**  trans33.6127.9146.359.70000119.8
381H33.6Very low40.8Very low162 Ų162126.1 Ų126.175%0.7571%0.714SS**  cis4992.319-154.7-83000116.3
382P51.3Low40.5Very low122 Ų122121.3 Ų121.379%0.79272%0.717SS**  trans-121.981.8151.436.7-25.6000111.8
383S41.5Very low40.5Very low89 Ų89121.2 Ų121.262%0.62272%0.72SS**  -74.7136.2129.6-174.80000105.6
384P35.2Very low40.4Very low115 Ų115118.8 Ų118.875%0.74772%0.716SS**  cis-140.2163.940.541.7-25.4000117.4
385A31.1Very low40.6Very low86 Ų86121.1 Ų121.171%0.71172%0.72SS**  170134.8128.800000111.7P387A385-P387 WeakPolarHBondContact O-CD 3.47Å
386P39.7Very low40.5Very low125 Ų125121.1 Ų121.181%0.81272%0.723SS**  trans-96.8113.4165.833.5-27.3000111.8V388P386-V388 PolarHBondContact O-N 3.4Å
387P48.4Very low40.6Very low119 Ų119124.8 Ų124.877%0.77373%0.734SS**  trans-84.1109.3165.631.5-30.1000110.4A385A385-P387 WeakPolarHBondContact O-CD 3.47Å
388V41.7Very low40.2Very low115 Ų115120.4 Ų120.470%0.69773%0.733SS**  trans-58.7138.7165.5-86.80000112.4P386 V390P386-V388 PolarHBondContact O-N 3.4Å; V388-V390 HydrophobicContact CB-CG2 3.67Å; V388-V390 HydrophobicContact CG1-CG2 4.48Å; V388-V390 HydrophobicContact CG2-CG2 3.43Å; V388-V390 VanDerWaalsContact CG2-CG2 3.43Å
389P59.1Low40.1Very low133 Ų133116.8 Ų116.886%0.86473%0.726SS**  trans-85.798.914431.7-26.7000108.6
390V37.8Very low39.8Very low107 Ų107117.4 Ų117.465%0.64873%0.728SS**  trans-87.4153.4171.5-151.80000109.6V388V388-V390 HydrophobicContact CB-CG2 3.67Å; V388-V390 HydrophobicContact CG1-CG2 4.48Å; V388-V390 HydrophobicContact CG2-CG2 3.43Å; V388-V390 VanDerWaalsContact CG2-CG2 3.43Å
391S34.8Very low39.8Very low109 Ų109120 Ų12076%0.76274%0.735SS**  trans79.1146.9153.2-58.70000120
392A41.2Very low40.2Very low97 Ų97117.3 Ų117.380%0.80273%0.732SS**  trans73.2138.8152.900000119.4
393L42.6Very low39.3Very low145 Ų145116.9 Ų116.976%0.75973%0.727SS**  cis-159.292.5-18.3176.753.1000111.3H395L393-H395 PolarHBondContact O-ND1 2.98Å
394G38.8Very low38.9Very low77 Ų77117.6 Ų117.679%0.79473%0.728SS**  trans61.6-160.3176.800000113.4
395H42.2Very low38.9Very low145 Ų145122.9 Ų122.967%0.67173%0.733SS**  cis-129.1139.30.9-94.372.9000108.5L393L393-H395 PolarHBondContact O-ND1 2.98Å
396N33.1Very low39Very low109 Ų109122.3 Ų122.358%0.58374%0.735SS**  44.712597.5-76.4-37.3000112.6
397R39.2Very low38.6Very low204 Ų204124.1 Ų124.177%0.7773%0.733SS**  cis-165164.726.2-110156.3-154.5-84.6-2.6110.2
398S33.6Very low38.1Very low107 Ų107124.6 Ų124.675%0.74873%0.728SS**  49.3139.2101.4-117.40000114.8
399S34.6Very low37.8Very low85 Ų85126.1 Ų126.159%0.59473%0.732SS**  cis-174.8158.95.1-158.50000111.1
400T35.8Very low36.7Very low123 Ų123123.7 Ų123.776%0.75572%0.715SS**  trans39.1123.4142.253.30000121.5
401D40.9Very low36.4Very low147 Ų147126.8 Ų126.879%0.78672%0.723SS**  -18152.7129.2-96.4-83.2000115.5
402P42.2Very low36.5Very low105 Ų105126.3 Ų126.368%0.68273%0.725SS**  cis-157.4179.244.147.4-27.9000118.4
403T32.3Very low36.1Very low113 Ų113131.8 Ų131.869%0.69373%0.725SS**  trans60.2146.3149-24.70000122.4
404T33.3Very low35.7Very low103 Ų103131 Ų13163%0.63272%0.718SS**  trans80.9144.9162.379.70000117.2
405R34.5Very low35.5Very low227 Ų227137.4 Ų137.486%0.85772%0.724SS**  trans44.395.4164.4-58.4177.8-177.197.3-4.3114.2
406G33.7Very low35.1Very low74 Ų74137.2 Ų137.276%0.76373%0.728SS**  cis73.5179.540.600000111.3
407H31.5Very low35.7Very low163 Ų163141.7 Ų141.776%0.75574%0.742SS**  trans74.694.6174.1-164.6-102.2000116.8
408L37.1Very low35.5Very low128 Ų128135.4 Ų135.467%0.6773%0.727SS**  trans74.9160.4158.9-46.8-174.8000117.1
409N34.6Very low35.8Very low147 Ų147140.7 Ų140.779%0.78674%0.737SS**  cis-109.8133.8-3.835.816.9000111.7
410T36Very low35.6Very low82 Ų82143.3 Ų143.350%0.50374%0.74SS.*  60.598.274.4-39.80000108.2
411E33.5Very low35.5Very low173 Ų173144 Ų14481%0.80873%0.732SS**  58.3145.673-57.3178.7128.200112.2
412A35.2Very low35Very low99 Ų99143 Ų14382%0.81872%0.723SS**  trans61.3155.3-154.600000111.8
413R32.9Very low34.8Very low211 Ų211147.2 Ų147.280%0.79673%0.725SS**  cis-132.4151.316.1-161.8164.5-179.3-167.5-8.6113.4
414E35.6Very low34.9Very low130 Ų130147.5 Ų147.561%0.60772%0.723SS**  trans-4.5125.8162.3-58.7165.9104.100114.9D416E414-D416 PolarHBondContact O-N 2.58Å
415K33.7Very low35Very low211 Ų211151.1 Ų151.192%0.91773%0.732SS**  55.425.168.8-152-160.8-179.5-175.30113.5
416D33.9Very low34.9Very low141 Ų141144.9 Ų144.975%0.75472%0.723SS**  trans-83119.9164.7-128.2-44.2000110.9E414 P418E414-D416 PolarHBondContact O-N 2.58Å; D416-P418 VanDerWaalsContact OD1-CD 3.31Å; D416-P418 WeakPolarHBondContact OD1-CD 3.29Å
417K46Very low34.8Very low202 Ų202144.8 Ų144.888%0.87872%0.722SS**  trans-13572.7177.3-171.6-162.8174.1178.70111.7
418P34.6Very low34.8Very low72 Ų72141.7 Ų141.747%0.46872%0.719SS.*  trans-99.4142.6148.429.6-13.6000107.6D416 E420D416-P418 VanDerWaalsContact OD1-CD 3.31Å; D416-P418 WeakPolarHBondContact OD1-CD 3.29Å; P418-E420 HydrophobicContact CB-CB 4.1Å; P418-E420 HydrophobicContact CG-CB 4.35Å
419K40.1Very low34.7Very low219 Ų219146.8 Ų146.895%0.95273%0.729SS**  cis45.63242-143.5-173.2178.1-175.70114.2
420E31.3Very low34.5Very low139 Ų139146.5 Ų146.565%0.6572%0.721SS**  trans-113.9128.3160.8176.3150-112.600107P418P418-E420 HydrophobicContact CB-CB 4.1Å; P418-E420 HydrophobicContact CG-CB 4.35Å
421K32Very low34.1Very low138 Ų138148 Ų14860%0.673%0.726SS**  cis-147.5160.9-11.9-122-177.6-174.4121.20108.6R423K421-R423 PolarHBondContact O-N 3.1Å
422E31.9Very low34Very low127 Ų127146.3 Ų146.359%0.59372%0.722SS**  32.29398.7-163.3-154139.400111
423R36.8Very low33.8Very low192 Ų192146.9 Ų146.973%0.72572%0.716SS**  -140.6136.168.3-99.9-174.7169.794.44.5114.4K421 H425K421-R423 PolarHBondContact O-N 3.1Å; R423-H425 PolarHBondContact O-N 2.92Å
424D33.8Very low33.8Very low120 Ų120142.3 Ų142.364%0.64271%0.711SS**  trans-36.5121.9136.8-69-91.6000111.8S426D424-S426 VanDerWaalsContact C-N 3.29Å
425H35.7Very low33.8Very low178 Ų178144.5 Ų144.582%0.82472%0.721SS**  trans-101.468.5136.6-79.627.7000106.9R423 G427R423-H425 PolarHBondContact O-N 2.92Å; H425-G427 PolarHBondContact O-N 3.1Å
426S33.1Very low34Very low96 Ų96140.3 Ų140.367%0.67171%0.705SS**  trans-67.170.4170.2580000109.5D424 S428D424-S426 VanDerWaalsContact C-N 3.29Å; S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact O-N 3.37Å
427G31.9Very low34.5Very low73 Ų73141.9 Ų141.975%0.75371%0.708SS**  trans-74.871-175.100000113H425H425-G427 PolarHBondContact O-N 3.1Å
428S31Very low34.2Very low98 Ų98140.8 Ų140.869%0.68570%0.703SS**  trans55.280.6164.3-120.70000116.9S426 K430S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact O-N 3.37Å; S428-K430 VanDerWaalsContact CB-O 3.26Å; S428-K430 WeakPolarHBondContact CB-O 3.47Å; S428-K430 PolarHBondContact OG-O 3.06Å
429R34.9Very low34.8Very low234 Ų234141 Ų14188%0.88371%0.711SS**SBendtrans-62.1131.8133.5172.4-172.8179.8-169.52.8106
430K30.3Very low34.9Very low141 Ų141138.8 Ų138.861%0.61370%0.701SS**  trans70.7156.1-172.7-67.3174.2162.8-143.80113.3S428S428-K430 VanDerWaalsContact CB-O 3.26Å; S428-K430 WeakPolarHBondContact CB-O 3.47Å; S428-K430 PolarHBondContact OG-O 3.06Å
431D28.6Very low35.5Very low115 Ų115139.4 Ų139.462%0.61570%0.704SS**  cis-155.3167.5-7.8-112.9-32.2000107.8
432L31Very low35.8Very low136 Ų136137.2 Ų137.271%0.71271%0.706SS**  trans55118.6151.5-89.371.9000122.1
433T29.8Very low36.2Very low112 Ų112139 Ų13969%0.68771%0.714SS**  68.7144.6129.159.90000123.9
434T33.1Very low36.2Very low115 Ų115136.2 Ų136.271%0.70671%0.713SS**  trans65.7139.7150.844.10000119.6
435E36.1Very low36.9Very low175 Ų175135.7 Ų135.782%0.81872%0.716SS**  cis-167.1162-22.4-123.8176.1-135.200107.9
436E38.2Very low36.8Very low123 Ų123135.1 Ų135.158%0.57571%0.714SS**  cis-122-76.7-3.1174.8-123.6155.200111.4K438 A439E436-K438 VanDerWaalsContact OE1-CA 3.31Å; E436-K438 WeakPolarHBondContact OE1-CA 3.18Å; E436-K438 PolarHBondContact OE1-N 3.17Å; E436-K438 PolarHBondContact OE2-N 3.44Å; E436-A439 PolarHBondContact OE1-N 3.02Å
437H43.7Very low36.8Very low175 Ų175140 Ų14081%0.8172%0.717SS**  cis-137120.7-14.9-153.123000113.5
438K41.3Very low36.9Very low179 Ų179142.6 Ų142.678%0.77871%0.714SS**SBendtrans59.182.7180-152.5157.4-170.5167.90119E436E436-K438 VanDerWaalsContact OE1-CA 3.31Å; E436-K438 WeakPolarHBondContact OE1-CA 3.18Å; E436-K438 PolarHBondContact OE1-N 3.17Å; E436-K438 PolarHBondContact OE2-N 3.44Å
439A45.8Very low37.1Very low77 Ų77140.6 Ų140.664%0.63671%0.709SS**  trans73.8112.3148.600000118E436E436-A439 PolarHBondContact OE1-N 3.02Å
440K43.3Very low37Very low172 Ų172138.3 Ų138.375%0.74871%0.708SS**  90124.956.6-179172.2-174171.20110.7
441E43Very low37Very low152 Ų152136.6 Ų136.671%0.7171%0.714SS**  cis-143.8-176.519.5-152.1144.7-155.200114.6
442S37.8Very low37.5Very low92 Ų92138.7 Ų138.764%0.64372%0.72SS**  trans-64.7-178.5-178.256.10000114.8
443H40.8Very low37.8Very low165 Ų165140.2 Ų140.276%0.76472%0.723SS**  cis-178.214942.4179.6-80.2000109.9
444L37.7Very low38.3Very low132 Ų132138.6 Ų138.669%0.69173%0.729SS**  cis-159.2172-23.5-93.9-171.3000107.6
445P47.7Very low38.4Very low110 Ų110141.2 Ų141.271%0.71473%0.726SS**  trans-99-148.5-175.841.5-36.6000113.7
446E33Very low38.4Very low166 Ų166137.1 Ų137.178%0.77672%0.722SS**  trans77.8150173.8-76.8-15188.700117.8
447R34.4Very low38.6Very low197 Ų197135.9 Ų135.974%0.74373%0.733SS**  cis-158.8-176.1-21-138.2-156.9-162.2-103.4-8111.9
448D33.8Very low38.4Very low128 Ų128131 Ų13168%0.68473%0.73SS**  trans-46.4151.8170.7-54.4-93.2000116.5
449G34.5Very low38.4Very low57 Ų57131.2 Ų131.259%0.58873%0.734SS**  129.811112800000118.2
450H33.3Very low38.3Very low185 Ų185134.2 Ų134.286%0.85673%0.734SS**  trans58.3132.4146.8-53.593.5000120.9
451S31Very low38.5Very low105 Ų105130.6 Ų130.673%0.73473%0.729SS**  trans77.6129.7144.3-67.50000121
452H38.3Very low38.5Very low160 Ų160131.1 Ų131.174%0.74173%0.728SS**  trans73.3134.8148.6-78.3-108.3000121.2
453E36.4Very low38.8Very low167 Ų167134.1 Ų134.178%0.7873%0.732SS**  trans-13.1152.1164.966-138.5129.900122.2
454G40.5Very low38.9Very low79 Ų79133.4 Ų133.481%0.81473%0.733SS**  trans160.640.5165.700000122.3
455R36.3Very low38.9Very low170 Ų170132 Ų13264%0.64273%0.734SS**  trans-8.4144.2160.7167.8173.7167.2-140-7.3121.4E532R455-E532 IonicContact CZ-OE1 2.69Å; R455-E532 IonicContact CZ-OE2 3.31Å; R455-E532 IonicContact NH1-OE1 3.04Å; R455-E532 PolarHBondContact NH1-OE1 2.86Å; R455-E532 IonicContact NH1-OE2 3.65Å; R455-E532 PolarHBondContact NH1-OE2 3.42Å; R455-E532 VanDerWaalsContact NH2-CD 3.29Å; R455-E532 IonicContact NH2-OE1 3.38Å; R455-E532 IonicContact NH2-OE2 3.6Å; R455-E532 PolarHBondContact NH2-OE2 2.96Å
456A36.1Very low38.7Very low88 Ų88137.6 Ų137.673%0.72774%0.741SS**  trans75.6157.6154.200000119.2
457A41.4Very low38.9Very low98 Ų98136 Ų13681%0.8174%0.743SS**  cis-170.1161.7-26.400000111.1
458G40.3Very low39.7Very low72 Ų72131.9 Ų131.974%0.74274%0.741SS**  trans81.8176.215500000118
459E41.9Very low39.9Very low184 Ų184131.7 Ų131.786%0.8675%0.75SS**  cis-152149-14.5-63.7-163.3133.600110.5
460E42.7Very low40.6Very low140 Ų140134.2 Ų134.265%0.65476%0.756SS**  150.3136.1128.1-92-75.390.400114.8K462E460-K462 IonicContact OE2-NZ 2.57Å; E460-K462 PolarHBondContact OE2-NZ 3.23Å
461P48.5Very low40.7Very low96 Ų96135.9 Ų135.962%0.62376%0.756SS**  trans-115.6179.1175.442.7-31.6000112.8
462K42.2Very low41.4Very low162 Ų162137.2 Ų137.270%0.70476%0.76SS**  trans174.9142.4158.1-99.3141.3-160.5147.30109.3E460E460-K462 IonicContact OE2-NZ 2.57Å; E460-K462 PolarHBondContact OE2-NZ 3.23Å
463Q44.7Very low41.8Very low155 Ų155140.2 Ų140.272%0.72476%0.764SS**  cis-150.2144.610.7-62.4-156.117.900114.7
464L41.9Very low42.3Very low151 Ų151139 Ų13979%0.79177%0.768SS**  trans47.1152.2134.6-75.775.4000122.8
465S38.3Very low42.7Very low101 Ų101141.2 Ų141.271%0.70677%0.768SS**  cis-175.8161.2-21.1-169.10000112.9
466R42.9Very low43.2Very low229 Ų229136 Ų13686%0.86477%0.768SS**  trans91.7117150-165.8170.2-78.5161.6-4.9121.1
467V37.8Very low43.8Very low133 Ų133138.5 Ų138.581%0.80677%0.774SS**  trans-126.8-147.3161.3-139.30000106.9
468P52.2Low43.8Very low110 Ų110140.6 Ų140.671%0.71477%0.771SS**  -118179-6739.3-26.5000113.8
469S36.8Very low43.8Very low123 Ų123141.8 Ų141.886%0.8677%0.768SS**  trans-176.1163.9145-880000116.4
470P48.5Very low43.9Very low111 Ų111139 Ų13972%0.72176%0.764SS**  trans-127.2-158.9-167.842-23.9000116.5
471Y37.2Very low43.8Very low220 Ų220143.8 Ų143.886%0.86378%0.776SS**  trans81150.2-173.8-84.6-98.5000115.3
472V45.1Very low43.8Very low133 Ų133145 Ų14581%0.80678%0.784SS**  cis-138.1168.820.9-176.70000113
473R45.8Very low43.4Very low223 Ų223144.3 Ų144.384%0.84279%0.788SS**  trans-60.3165.2173-74.9178.8162.9-170.8-4.3116.4
474T46.9Very low43.1Very low140 Ų140141 Ų14186%0.85978%0.781SS**  -168.7163.890.929.70000115.4
475P48.6Very low42.9Very low126 Ų126139.9 Ų139.982%0.81878%0.781SS**  trans-131.1174.7-161.343.8-27.9000118.2
476G47.8Very low43.1Very low61 Ų61141.2 Ų141.263%0.62979%0.791SS**  trans173.2115.1160.500000111.5
477V49.4Very low42.8Very low141 Ų141135.7 Ų135.786%0.85579%0.787SS**  61.3133.269.6-47.10000114.7
478D40.1Very low42.9Very low142 Ų142139.6 Ų139.676%0.75979%0.787SS**  cis-163.3169.5-24.1-157-85.1000110.1
479S39.9Very low42.2Very low97 Ų97141.5 Ų141.568%0.67879%0.787SS**  trans75.6147.4149.5-84.20000125.2
480T44Very low42.6Very low125 Ų125140 Ų14077%0.76778%0.782SS**  trans81.880.115325.20000123.7
481R41.1Very low42.3Very low241 Ų241142.7 Ų142.791%0.90979%0.785SS**  71.9163.9125.2-77.3-171.3172.1-167.6-1.8121.2
482P49.2Very low42.7Very low120 Ų120136.2 Ų136.278%0.77977%0.77SS**  trans-127.3-177-155.944.5-30.7000116.8
483N33.4Very low42.6Very low149 Ų149139.9 Ų139.980%0.79777%0.769SS**  trans104.9153.6153.7-164.543.3000119.1
484S37.5Very low42.4Very low84 Ų84139.4 Ų139.459%0.58777%0.773SS**  trans75.794.8162.3-870000121.2
485T39.1Very low42.5Very low129 Ų129136.7 Ų136.779%0.79177%0.774SS**  34.8117.2113.8590000120.2
486S42.7Very low41.9Very low129 Ų129139.1 Ų139.190%0.90277%0.774SS**  -160.9168.4128.155.40000111
487S35Very low41.7Very low113 Ų113141 Ų14179%0.7978%0.775SS**  trans-121.9138.2-179.5172.20000109.8
488R40.2Very low41.3Very low214 Ų214139.4 Ų139.481%0.80878%0.777SS**  trans-155.9119151.9-158154.8-162.4-179.13.5116.5
489E38.5Very low41Very low151 Ų151142.6 Ų142.671%0.70678%0.78SS**  trans11.9124.3138.9-47.4168.2123.400121
490A45.3Very low41.5Very low92 Ų92146.8 Ų146.876%0.7679%0.788SS**  trans-168.299.5135.600000108.1
491E42.1Very low41.1Very low166 Ų166146.5 Ų146.578%0.77678%0.782SS**  71.7148.198.5-81.6-66.689.200115.6
492P44.4Very low41.1Very low85 Ų85139.6 Ų139.655%0.55277%0.769SS**  trans-138.3-173-134.130.9-5.9000114.9
493R43.4Very low40.5Very low209 Ų209142.7 Ų142.779%0.78977%0.77SS**  147.5140.1126.3-79.2161.4-171.5-170.34.7114.8
494K41.6Very low40.9Very low213 Ų213144.8 Ų144.893%0.92677%0.772SS**  trans57.1119.6151.2-68.1-175.7173.8-170.10119.8
495G50.4Low40.9Very low84 Ų84148.2 Ų148.287%0.86678%0.783SS**  trans169.591.8161.800000113.4
496E34.1Very low40.8Very low177 Ų177147 Ų14783%0.82779%0.786SS**  trans-157.1156.4179.8-158.4-109175.900108.4
497P44Very low40.6Very low101 Ų101148 Ų14866%0.65678%0.777SS**  cis-113.7178.8-30.433.7-20.4000112.9
498A42.4Very low41.2Very low107 Ų107149.3 Ų149.388%0.88478%0.78SS**  trans-140.3144.6158.500000110.4
499Y33.9Very low41.8Very low209 Ų209146.8 Ų146.882%0.8278%0.775SS**  trans-111.9131.8-168.7163-83.4000111.3
500E49Very low42.1Very low185 Ų185146 Ų14686%0.86478%0.78SS**  trans-149.7136.2150.9-157.1168.3-150.800112.4
501N35.6Very low42.8Very low118 Ų118149.4 Ų149.463%0.63178%0.778SS**  trans-146.6128.6172.1-154-90.8000104.1
502P42Very low43.4Very low97 Ų97150 Ų15063%0.6378%0.78SS**  -158169.180.341.1-20.8000118.6
503K36Very low44Very low184 Ų184152.6 Ų152.680%0.879%0.785SS**  trans40114.1143.5-63.5166-177.1174.70119
504K42.4Very low44.1Very low194 Ų194151.9 Ų151.984%0.84378%0.782SS**  176.2128.8105.254.3-146.4167.3-168.80114.9
505N37Very low44.6Very low155 Ų155149.1 Ų149.183%0.82977%0.771SS**  trans42.4126142-55.7-14000122.5
506A36Very low44.5Very low103 Ų103151.8 Ų151.885%0.85176%0.76SS**  trans54.5117136.300000120.9
507E39.5Very low44.7Very low150 Ų150149.3 Ų149.370%0.70175%0.753SS**  -171.792.4112.2-167.6-178.5163.300110.3K509E507-K509 HydrophobicContact CG-CG 4.21Å; E507-K509 PolarHBondContact O-N 3.08Å; E507-K509 WeakPolarHBondContact OE1-CE 3.41Å; E507-K509 WeakPolarHBondContact OE1-CG 3.26Å; E507-K509 IonicContact OE1-NZ 2.75Å
508V46.8Very low44.7Very low142 Ų142151.9 Ų151.986%0.86176%0.756SS**  trans-91.397.5169.91790000108.4V510V508-V510 PolarHBondContact O-N 3.41Å
509K53.2Low44.5Very low161 Ų161153.2 Ų153.270%0.775%0.748SS**  trans-64.6113.2174.9-70.5-177.1177177.70110.3E507 K511E507-K509 HydrophobicContact CG-CG 4.21Å; E507-K509 PolarHBondContact O-N 3.08Å; E507-K509 WeakPolarHBondContact OE1-CE 3.41Å; E507-K509 WeakPolarHBondContact OE1-CG 3.26Å; E507-K509 IonicContact OE1-NZ 2.75Å; K509-K511 PolarHBondContact O-N 3.11Å; K509-K511 VanDerWaalsContact O-N 3.09Å
510V44.6Very low44.9Very low135 Ų135149.5 Ų149.582%0.81874%0.742SS**  trans-71.399.3163.7179.70000107.2V508 E512V508-V510 PolarHBondContact O-N 3.41Å; V510-E512 PolarHBondContact O-N 3.15Å; V510-E512 VanDerWaalsContact O-N 3.12Å
511K61.3Low44.4Very low163 Ų163146.2 Ų146.271%0.70974%0.737SS**  trans-77.793.1168.2-167.5-169.2-175.5-166.80108.4K509 E513K509-K511 PolarHBondContact O-N 3.11Å; K509-K511 VanDerWaalsContact O-N 3.09Å; K511-E513 WeakPolarHBondContact CE-OE2 3.2Å; K511-E513 IonicContact NZ-OE2 3.78Å; K511-E513 PolarHBondContact NZ-OE2 2.72Å; K511-E513 PolarHBondContact O-N 3.36Å
512E54.6Low44.6Very low177 Ų177144.9 Ų144.983%0.82773%0.733SS**  trans-63.1115.9161.3-178171.3-169.400108.6V510V510-E512 PolarHBondContact O-N 3.15Å; V510-E512 VanDerWaalsContact O-N 3.12Å
513E56.1Low44.2Very low140 Ų140148.5 Ų148.565%0.65474%0.741SS**  trans-126.482.3172.8-166.9170.6147.800110K511 K515K511-E513 WeakPolarHBondContact CE-OE2 3.2Å; K511-E513 IonicContact NZ-OE2 3.78Å; K511-E513 PolarHBondContact NZ-OE2 2.72Å; K511-E513 PolarHBondContact O-N 3.36Å; E513-K515 PolarHBondContact O-N 2.93Å
514R45Very low44Very low194 Ų194143.9 Ų143.973%0.73274%0.737SS**  trans-16.4116.2151179.5-174.3-175.3-166.21.9113.3D517R514-D517 IonicContact CZ-OD2 3.44Å; R514-D517 IonicContact NE-OD2 2.81Å; R514-D517 PolarHBondContact NE-OD2 3.14Å; R514-D517 IonicContact NH2-OD2 2.7Å; R514-D517 PolarHBondContact NH2-OD2 3.43Å
515K51.9Low43.8Very low156 Ų156139.9 Ų139.968%0.67873%0.731SS**  trans-113.4133.7168.9-175168.1-171.7-840110E513E513-K515 PolarHBondContact O-N 2.93Å
516E49.3Very low43.8Very low139 Ų139141.2 Ų141.265%0.6573%0.733SS**  trans55.374.7165-72.9158-179.300117.4
517D38.5Very low43.7Very low125 Ų125140 Ų14067%0.66872%0.722SS**  -92.487.2126.8-57.9-64.6000106.8R514R514-D517 IonicContact CZ-OD2 3.44Å; R514-D517 IonicContact NE-OD2 2.81Å; R514-D517 PolarHBondContact NE-OD2 3.14Å; R514-D517 IonicContact NH2-OD2 2.7Å; R514-D517 PolarHBondContact NH2-OD2 3.43Å
518H43.3Very low43.5Very low155 Ų155140.6 Ų140.672%0.71873%0.725SS**  trans-111.367170-163.1-26.1000109.4
519D39.1Very low42.8Very low135 Ų135143.9 Ų143.972%0.72272%0.722SS**  trans-65.9157.7174-134.4-51000111.4
520L42.2Very low42Very low131 Ų131142.3 Ų142.369%0.68673%0.726SS**  trans-49.1127.2-161.4-61.4154.7000117.1T522L520-T522 VanDerWaalsContact C-N 3.27Å; L520-T522 WeakPolarHBondContact CB-OG1 3.45Å; L520-T522 PolarHBondContact O-N 2.85Å
521P38.3Very low41.7Very low117 Ų117141.6 Ų141.676%0.7673%0.727SS**  trans-85.770.914234.6-30.1000109.3
522T39.2Very low40.1Very low90 Ų90139.7 Ų139.755%0.55272%0.72SS**  trans-63.6132.9170.8-68.90000109.8L520L520-T522 VanDerWaalsContact C-N 3.27Å; L520-T522 WeakPolarHBondContact CB-OG1 3.45Å; L520-T522 PolarHBondContact O-N 2.85Å
523E34.4Very low39.2Very low172 Ų172135.1 Ų135.180%0.80471%0.713SS**  trans41.1104.2153.4-143.4168.1131.200117.1
524A31.2Very low38.5Very low87 Ų87134.3 Ų134.372%0.71972%0.72SS**  65.2157.668.400000113
525P39Very low38.5Very low111 Ų111130.4 Ų130.472%0.72172%0.719SS**  -125.9134.1-105.527.7-8.1000115.8
526Q36.8Very low38.2Very low183 Ų183128.1 Ų128.186%0.85572%0.72SS**  trans-150.9130.4157.3-91.7123.787.200108.1
527A33.5Very low37.6Very low77 Ų77126.1 Ų126.164%0.63672%0.722SS**  cis102.3138.315.600000115.7
528H36Very low37.5Very low162 Ų162125.5 Ų125.575%0.7573%0.728SS**  trans84119.3163.1-53.5-55.8000121.2
529R31.6Very low37.1Very low212 Ų212123.9 Ų123.980%0.873%0.733SS**  trans67.3103.3131.3-66.5-178.4-178.1-165.61117.8
530T35.7Very low36.9Very low127 Ų127121.3 Ų121.378%0.77973%0.731SS**  69.8120.675.663.20000114.7
531S39Very low36.6Very low120 Ų120120.8 Ų120.884%0.83974%0.738SS**SBendtrans68.8155.9-176.2-161.20000115
532E28.3Very low36.6Very low124 Ų124119 Ų11958%0.57973%0.734SS**SBendtrans-68.4127.4163.992.7-179.5-114.300109.7R455R455-E532 IonicContact CZ-OE1 2.69Å; R455-E532 IonicContact CZ-OE2 3.31Å; R455-E532 IonicContact NH1-OE1 3.04Å; R455-E532 PolarHBondContact NH1-OE1 2.86Å; R455-E532 IonicContact NH1-OE2 3.65Å; R455-E532 PolarHBondContact NH1-OE2 3.42Å; R455-E532 VanDerWaalsContact NH2-CD 3.29Å; R455-E532 IonicContact NH2-OE1 3.38Å; R455-E532 IonicContact NH2-OE2 3.6Å; R455-E532 PolarHBondContact NH2-OE2 2.96Å
533A35Very low36.6Very low81 Ų81120.2 Ų120.267%0.66975%0.746SS**  trans53.8158.8153.300000120.6
534P41.3Very low36.8Very low123 Ų123118.2 Ų118.280%0.79975%0.745SS**  cis-118.7-117.6-31.435-14.4000110.5
535P45.3Very low37.2Very low111 Ų111122.2 Ų122.272%0.72175%0.748SS**  trans-125.2-152.4-154.144.9-22.2000112.1
536P45.2Very low37.5Very low108 Ų108122.9 Ų122.970%0.70175%0.753SS**  cis-128.4-171.4-20.934.8-14.5000114.1
537S37.5Very low37.6Very low98 Ų98117.4 Ų117.469%0.68575%0.745SS**  trans65.4113.4144.962.70000123
538S34.6Very low38.5Very low112 Ų112119.2 Ų119.278%0.78375%0.751SS**  73.1131119.1-54.30000123.7
539S35.6Very low39Very low120 Ų120119.3 Ų119.384%0.83976%0.756SS**  trans105.5147.9134.280.80000121.7
540A35.3Very low39.6Very low81 Ų81113.1 Ų113.167%0.66975%0.75SS**  trans80.2108.5150.500000122.6
541S35.1Very low39.7Very low120 Ų120112.5 Ų112.584%0.83975%0.75SS**  trans78.3152.8132.884.70000118.7
542A38.5Very low39.8Very low81 Ų81115 Ų11567%0.66975%0.751SS**  cis-156.9177.11.900000112.4
543S38.7Very low40.7Very low115 Ų115113.6 Ų113.680%0.80475%0.753SS**  trans72.8137.8143.1-74.40000120.7
544V40.4Very low40.8Very low129 Ų129117.9 Ų117.978%0.78276%0.761SS**  cis-148.2165.3-8.2-154.10000111.4
545H37.9Very low40.6Very low172 Ų172117.2 Ų117.280%0.79676%0.755SS**  trans-66.7-172.4169.6-54.2-87.3000114.5
546P45.5Very low40.2Very low125 Ų125118.1 Ų118.181%0.81276%0.758SS**  cis-141.2-176.67.142-20.7000118.8
547G39.7Very low39.8Very low67 Ų67116.3 Ų116.369%0.69176%0.759SS**  trans-94-135.1164.900000112.3
548P53.3Low39.6Very low116 Ų116117.2 Ų117.275%0.75376%0.76SS**  cis-144.1-156.20.333.4-7000115.1
549L45.9Very low39.5Very low164 Ų164118.3 Ų118.386%0.85976%0.762SS**  trans82.7148.2162.4-49.7-175.9000119.2
550A43.3Very low39.6Very low81 Ų81115.5 Ų115.567%0.66975%0.752SS**  cis-168.8162.4-2100000112.9
551S37.6Very low39.5Very low114 Ų114119 Ų11980%0.79776%0.758SS**  trans61.1127.4156.5-67.90000120.7
552M42.1Very low39.7Very low172 Ų172121.8 Ų121.885%0.84776%0.757SS**  94.4164.452.5-69.8-79.3174.500112.8
553P46.1Very low39.9Very low95 Ų95122.6 Ų122.662%0.61776%0.764SS**  -136.7-172.7-83.439.7-19.7000115.5
554M38.3Very low39.6Very low172 Ų172125.8 Ų125.885%0.84777%0.768SS**  trans68.4167.9157.2-76.1-151.1-68.300118
555T36.6Very low39.7Very low109 Ų109126.6 Ų126.667%0.66977%0.768SS**  cis-168.7159.2-27.4-172.10000111.5
556V38Very low39.5Very low129 Ų129121.9 Ų121.978%0.78275%0.754SS**  trans38.5149.6171.1-121.60000123.1V558V556-V558 HydrophobicContact CG1-CG2 4.16Å
557G35.7Very low39Very low70 Ų70123.5 Ų123.572%0.72276%0.755SS**  trans139.776.5159.700000114.5
558V33.9Very low38.7Very low118 Ų118123.8 Ų123.872%0.71576%0.757SS**  79.4131.869.2176.80000114.5V556V556-V558 HydrophobicContact CG1-CG2 4.16Å
559T32.3Very low38Very low135 Ų135124 Ų12483%0.82876%0.762SS**  trans65133.4176.449.90000119.2
560G38.3Very low38Very low60 Ų60123.3 Ų123.362%0.61976%0.758SS**  trans178.440.5-179.500000112.6H562G560-H562 PolarHBondContact O-N 3.45Å
561I32.8Very low37.8Very low155 Ų155124.7 Ų124.780%0.79575%0.754SS**  trans-82.394.5-167.743.5162.7000113.2
562H39Very low38.1Very low178 Ų178129.9 Ų129.982%0.82476%0.756SS**  trans-132.493.7173.1-45.6-41.9000111.8G560G560-H562 PolarHBondContact O-N 3.45Å
563A41.8Very low38Very low98 Ų98126.6 Ų126.681%0.8175%0.746SS**  trans-114.9104.3163.500000108.4
564M33.9Very low37.8Very low182 Ų182130.9 Ų130.990%0.89775%0.75SS**  trans-167.8108.2175.6-106.1158.274.600111.3
565N41.4Very low37.7Very low147 Ų147129.6 Ų129.679%0.78674%0.744SS**  -169.7102.8115.4-139.126.4000107.7
566S34.1Very low37.8Very low72 Ų72130 Ų13050%0.50375%0.746SS.*  71.7118.790.4-55.80000111.9
567I34.8Very low37.7Very low160 Ų160129.6 Ų129.682%0.82174%0.743SS**  52108.383-51.9155.4000108.8
568G34.5Very low38.5Very low72 Ų72131.6 Ų131.674%0.74274%0.744SS**  cis98.712624.600000109.7
569S37.6Very low38.8Very low121 Ų121134.7 Ų134.785%0.84675%0.748SS**  trans-147131.4169-169.30000110.2
570L45.2Very low39.3Very low149 Ų149135.5 Ų135.578%0.7874%0.744SS**  trans-88.1-154162.7-155.778.4000108
571D39.4Very low39.3Very low110 Ų110135.9 Ų135.959%0.58875%0.748SS**  trans74.188157.8-66.3-63.7000119.8
572R44.6Very low39.6Very low224 Ų224137 Ų13785%0.84576%0.755SS**  -165.7127.9100.6-93.5146.1-171.4-172.91.2109.3
573T39.6Very low39.3Very low102 Ų102133.9 Ų133.963%0.62675%0.753SS**  cis68.9104.123.3-42.20000114
574R42.6Very low39.4Very low185 Ų185135.1 Ų135.170%0.69875%0.753SS**  -179.1125129.3-95.2150.1-164.9-77.5-4.6113.6
575M35.1Very low39.8Very low146 Ų146134.2 Ų134.272%0.71975%0.75SS**  trans58.2145.9130.4-45.7178.8-45.700118.1
576V39.2Very low39.8Very low118 Ų118133 Ų13372%0.71575%0.75SS**  cis-158.1119.737.61600000105.7
577T36.3Very low39.9Very low119 Ų119133.5 Ų133.573%0.7377%0.766SS**  54.7151.873670000116.5
578P52Low39.9Very low112 Ų112129.4 Ų129.473%0.72776%0.763SS**  -134.7176.1-5640.8-26.3000112.6
579F40.2Very low40.2Very low184 Ų184135.2 Ų135.281%0.80777%0.771SS**  trans-163.5168.8144.1-132.6-126.2000115.1
580M42.3Very low40.2Very low151 Ų151139.9 Ų139.974%0.74477%0.77SS**  trans-65.2160.2-173.6-63.495.970.100115.3
581G39.9Very low39.7Very low68 Ų68142.1 Ų142.170%0.70177%0.774SS**  cis154.2-171.7-7.100000114.4
582L37.7Very low39.8Very low179 Ų179141.2 Ų141.294%0.93777%0.774SS**  trans69.1112.7169.5-51.9-179.5000118.7
583S34.1Very low39.3Very low113 Ų113135.7 Ų135.779%0.7975%0.754SS**  trans-94.3170.4155.6-45.20000109.7
584P42.2Very low39.6Very low124 Ų124135.2 Ų135.281%0.80575%0.753SS**  -146.8168.184.438.2-21000116.2
585I42.6Very low39Very low163 Ų163129.4 Ų129.484%0.83674%0.74SS**  trans-114.2137.9169.6-55.5166.5000108.2
586P40.9Very low39.5Very low122 Ų122130.1 Ų130.179%0.79274%0.74SS**  trans-147.1153.5145.336-19.4000116.5
587G37.1Very low39.8Very low81 Ų81130.6 Ų130.684%0.83573%0.734SS**  trans87.8147.5169.500000115
588G35.6Very low40Very low74 Ų74135 Ų13576%0.76374%0.737SS**  cis129136.89.500000109.3
589E39.8Very low39.4Very low195 Ų195133.6 Ų133.691%0.91172%0.724SS**  cis-145.4-161.311.6-56-166.2167.500113.2
590R37.5Very low39.7Very low219 Ų219129.8 Ų129.883%0.82672%0.718SS**  trans-63.1144.8-174.8-60.1162.7163.1-175.6-5.7114.6
591F34.7Very low40.2Very low196 Ų196130.6 Ų130.686%0.8672%0.721SS**  -172.8176.4117.9-102.2-58.7000110.4
592P42.9Very low41Very low90 Ų90137.7 Ų137.758%0.58473%0.727SS**  -124.3167.9-12544.2-31.3000118.7
593Y32.1Very low41.5Very low109 Ų109132.8 Ų132.843%0.42770%0.702SS.*  trans65.3170.6170.1-82.6-60.5000114.9D613 R617Y593-D613 WeakPolarHBondContact CE1-OD2 3.22Å; Y593-D613 PolarHBondContact OH-OD1 3.06Å; Y593-D613 PolarHBondContact OH-OD2 3.43Å; Y593-R617 HydrophobicContact CD1-CG 4.05Å; Y593-R617 HydrophobicContact CD2-CG 4.18Å; Y593-R617 HydrophobicContact CE1-CG 4.04Å; Y593-R617 HydrophobicContact CE2-CG 4.21Å; Y593-R617 HydrophobicContact CG-CG 4.1Å; Y593-R617 PolarHBondContact OH-NE 3.18Å; Y593-R617 PolarHBondContact OH-NH2 2.82Å
594P46.1Very low42.6Very low92 Ų92133.1 Ų133.160%0.59770%0.701SS**  cis-110.7165.50.529.8-11.5000115.5F596P594-F596 HydrophobicContact CG-CE2 3.86Å; P594-F596 HydrophobicContact CG-CZ 4.45Å
595S30.7Very low43.3Very low63 Ų63134.9 Ų134.944%0.44170%0.703SS.*  trans-88115.9176.4-52.70000110.2
596F45Very low44.1Very low161 Ų161137.1 Ų137.171%0.70670%0.701SS**  trans-95.6146.6168-75.4-79.3000111P594P594-F596 HydrophobicContact CG-CE2 3.86Å; P594-F596 HydrophobicContact CG-CZ 4.45Å
597H47Very low44.4Very low128 Ų128135.5 Ų135.559%0.59369%0.685SS**  trans-118.717.9-142.854.8-100.6000114.7D599H597-D599 PolarHBondContact O-N 3.04Å
598W40.4Very low45.5Very low210 Ų210137 Ų13780%0.79568%0.681SS**  trans-84.511.7-155.755.9-104.1000117.6
599D38.6Very low46.1Very low84 Ų84142.1 Ų142.145%0.44968%0.678SS.*  trans-139.181.1166.7-166.44000115.1H597 M601 R602H597-D599 PolarHBondContact O-N 3.04Å; D599-M601 VanDerWaalsContact C-N 3.34Å; D599-M601 PolarHBondContact OD1-N 3.36Å; D599-R602 WeakPolarHBondContact OD1-CB 3.41Å; D599-R602 WeakPolarHBondContact OD1-CG 3.45Å; D599-R602 PolarHBondContact OD1-N 2.9Å; D599-R602 WeakPolarHBondContact OD2-CB 3.19Å; D599-R602 WeakPolarHBondContact OD2-CD 3.25Å; D599-R602 VanDerWaalsContact OD2-CG 3.29Å; D599-R602 WeakPolarHBondContact OD2-CG 3.44Å
600P47.5Very low46.9Very low104 Ų104140 Ų14068%0.67566%0.662SS**SBendtrans-88.4-0.7160.1-4.525.1000112.8
601M51.5Low47.5Very low167 Ų167136.1 Ų136.182%0.82366%0.658SS**SBendtrans-100.9-18.8-162.1-81.6-75.3-6800114D599D599-M601 VanDerWaalsContact C-N 3.34Å; D599-M601 PolarHBondContact OD1-N 3.36Å
602R57.9Low48.6Very low218 Ų218133.3 Ų133.382%0.82365%0.651SS**SBendtrans-87.5-16.9-177.7-74.4-169.3165.5-100.5-3.3116.1D599D599-R602 WeakPolarHBondContact OD1-CB 3.41Å; D599-R602 WeakPolarHBondContact OD1-CG 3.45Å; D599-R602 PolarHBondContact OD1-N 2.9Å; D599-R602 WeakPolarHBondContact OD2-CB 3.19Å; D599-R602 WeakPolarHBondContact OD2-CD 3.25Å; D599-R602 VanDerWaalsContact OD2-CG 3.29Å; D599-R602 WeakPolarHBondContact OD2-CG 3.44Å
603D47Very low49.1Very low76 Ų76131.3 Ų131.341%0.40664%0.635SS.*  trans-149.891.9177-171.3-7.5000112L605 R606D603-L605 PolarHBondContact O-N 2.74Å; D603-L605 PolarHBondContact OD1-N 2.68Å; D603-L605 VanDerWaalsContact OD1-N 3.1Å; D603-R606 HydrophobicContact CB-CB 4.3Å; D603-R606 VanDerWaalsContact OD2-CD 3.28Å; D603-R606 WeakPolarHBondContact OD2-CD 3.33Å; D603-R606 WeakPolarHBondContact OD2-CG 3.37Å
604P57.5Low49.9Very low120 Ų120132 Ų13278%0.77964%0.644SS**THydrogen-bonded Turntrans-64.9-3.2179.2-23.835.4000115.7
605L57.6Low50.2Low161 Ų161136.1 Ų136.184%0.84366%0.655SS**THydrogen-bonded Turntrans-105.1-0.3-173-59.2177.2000113.8D603D603-L605 PolarHBondContact O-N 2.74Å; D603-L605 PolarHBondContact OD1-N 2.68Å; D603-L605 VanDerWaalsContact OD1-N 3.1Å
606R59.3Low51.4Low210 Ų210143.1 Ų143.179%0.79267%0.672SS**SBendtrans-99.3-29.8-156.4-124.8-170171.5-155.7-9.3120D603D603-R606 HydrophobicContact CB-CB 4.3Å; D603-R606 VanDerWaalsContact OD2-CD 3.28Å; D603-R606 WeakPolarHBondContact OD2-CD 3.33Å; D603-R606 WeakPolarHBondContact OD2-CG 3.37Å
607D47Very low51.6Low87 Ų87140.3 Ų140.347%0.46566%0.656SS.*  trans-159.594.6175.3-165.4-16.7000113.1Y609 R610D607-Y609 VanDerWaalsContact C-N 3.25Å; D607-Y609 PolarHBondContact O-N 2.93Å; D607-Y609 PolarHBondContact OD1-N 2.95Å; D607-Y609 VanDerWaalsContact OD1-N 3.08Å; D607-R610 HydrophobicContact CB-CG 4.13Å; D607-R610 WeakPolarHBondContact OD2-CG 3.28Å; D607-R610 IonicContact OD2-NE 3.16Å; D607-R610 PolarHBondContact OD2-NE 3.4Å
608P59Low51.3Low113 Ų113139.4 Ų139.473%0.73466%0.656SS**THydrogen-bonded Turntrans-80.98.317933.4-35.3000114.5
609Y48.9Very low52Low181 Ų181134.4 Ų134.471%0.7165%0.65SS**THydrogen-bonded Turntrans-111.41.8-176-74.9-80.3000114.5D607D607-Y609 VanDerWaalsContact C-N 3.25Å; D607-Y609 PolarHBondContact O-N 2.93Å; D607-Y609 PolarHBondContact OD1-N 2.95Å; D607-Y609 VanDerWaalsContact OD1-N 3.08Å
610R55.8Low52.6Low150 Ų150136.8 Ų136.857%0.56666%0.662SS**G310 helixtrans-72.3-29.5-169.1-90.3-77.4167.1177.40116.5D607 L612 D613D607-R610 HydrophobicContact CB-CG 4.13Å; D607-R610 WeakPolarHBondContact OD2-CG 3.28Å; D607-R610 IonicContact OD2-NE 3.16Å; D607-R610 PolarHBondContact OD2-NE 3.4Å; R610-L612 PolarHBondContact O-N 3.28Å; R610-D613 PolarHBondContact O-N 3.42Å
611D51.9Low52.7Low139 Ų139134.6 Ų134.674%0.74366%0.659SS**G310 helixtrans-64.3-22-175.8-66.4-72.8000114D613D611-D613 VanDerWaalsContact C-N 3.35Å; D611-D613 PolarHBondContact O-N 3.36Å
612L56.8Low52.6Low137 Ų137136.7 Ų136.772%0.71766%0.657SS**G310 helixtrans-73.3-20-176.4-69.4167.3000114.3R610R610-L612 PolarHBondContact O-N 3.28Å
613D53.9Low52.1Low48 Ų48132 Ų13226%0.25765%0.649SS.*G310 helixtrans-88.2-17.2-172.6-161.648.2000114.1Y593 R610 D611 H615Y593-D613 WeakPolarHBondContact CE1-OD2 3.22Å; Y593-D613 PolarHBondContact OH-OD1 3.06Å; Y593-D613 PolarHBondContact OH-OD2 3.43Å; R610-D613 PolarHBondContact O-N 3.42Å; D611-D613 VanDerWaalsContact C-N 3.35Å; D611-D613 PolarHBondContact O-N 3.36Å; D613-H615 VanDerWaalsContact C-N 3.3Å; D613-H615 PolarHBondContact O-N 3.45Å
614M49Very low52Low124 Ų124137.9 Ų137.961%0.61167%0.671SS**G310 helixtrans-70.4-23179.9-86-171.460.800113.8R616M614-R616 VanDerWaalsContact C-N 3.26Å; M614-R616 PolarHBondContact O-N 3.33Å
615H52.5Low51.6Low177 Ų177139.5 Ų139.582%0.81967%0.672SS**G310 helixtrans-76.2-3-177.7-81.8-70.5000115.4D613D613-H615 VanDerWaalsContact C-N 3.3Å; D613-H615 PolarHBondContact O-N 3.45Å
616R55.5Low51Low211 Ų211139.6 Ų139.680%0.79667%0.673SS**G310 helixtrans-99.27.2-178-81.1-179.2168.7168.6-2.4115M614M614-R616 VanDerWaalsContact C-N 3.26Å; M614-R616 PolarHBondContact O-N 3.33Å
617R49Very low50.3Low102 Ų102140.4 Ų140.439%0.38568%0.676SS.*SBendtrans-102.1-13.3-153.2-82.7-66175.5173.7-5.4121.2Y593Y593-R617 HydrophobicContact CD1-CG 4.05Å; Y593-R617 HydrophobicContact CD2-CG 4.18Å; Y593-R617 HydrophobicContact CE1-CG 4.04Å; Y593-R617 HydrophobicContact CE2-CG 4.21Å; Y593-R617 HydrophobicContact CG-CG 4.1Å; Y593-R617 PolarHBondContact OH-NE 3.18Å; Y593-R617 PolarHBondContact OH-NH2 2.82Å
618D41.8Very low50Low108 Ų108144.3 Ų144.358%0.57870%0.697SS**  trans-143.6121.5173.7177.930.5000112.6L620 G621D618-L620 PolarHBondContact OD1-N 2.69Å; D618-G621 WeakPolarHBondContact OD2-CA 3.35Å; D618-G621 PolarHBondContact OD2-N 3.4Å
619P54.9Low49Very low106 Ų106145 Ų14569%0.68869%0.694SS**SBendtrans-94.4-2.8174.236.2-32.3000114.8
620L50.5Low48.9Very low133 Ų133142.3 Ų142.370%0.69670%0.699SS**SBendtrans-109.1-19.1-171-63.8178.4000115.2D618 R622D618-L620 PolarHBondContact OD1-N 2.69Å; L620-R622 PolarHBondContact O-N 3.39Å
621G48.9Very low48.3Very low58 Ų58141.6 Ų141.660%0.59871%0.706SS**THydrogen-bonded Turntrans-72.93.9176.700000116.1D618D618-G621 WeakPolarHBondContact OD2-CA 3.35Å; D618-G621 PolarHBondContact OD2-N 3.4Å
622R49Very low47.9Very low211 Ų211143.8 Ų143.880%0.79671%0.711SS**THydrogen-bonded Turntrans-102.9-16.1-163-138.2172.7-168.9176.73.1116.1L620L620-R622 PolarHBondContact O-N 3.39Å
623D47.7Very low47.4Very low120 Ų120148.2 Ų148.264%0.64272%0.718SS**G310 helixtrans-95.4-11.1-160.9-55.9-39.2000115
624F45.8Very low46.7Very low199 Ų199154.8 Ų154.887%0.87375%0.752SS**G310 helixtrans-87.80.9-174.5-84-86.7000115.5
625L49.2Very low46.3Very low155 Ų155153.5 Ų153.581%0.81276%0.756SS**G310 helixtrans-110.37.1-171.7-70.3174.1000115.6
626L43.8Very low45.6Very low162 Ų162151.4 Ų151.485%0.84876%0.755SS**SBendtrans-115.125.4-177-90.884.1000114.7
627R45.1Very low45.2Very low227 Ų227146 Ų14686%0.85775%0.748SS**  trans-143.880.9-176.9-167.6175.2-178.1155.61114.7
628N41Very low44.7Very low170 Ų170151.9 Ų151.991%0.90977%0.77SS**  trans-170.6132.9144.2-91.5-37.5000109.8
629D37.8Very low44.8Very low126 Ų126153.7 Ų153.767%0.67478%0.779SS**  trans-111.8123.7-170.1178.316.8000111.4L631D629-L631 PolarHBondContact O-N 3.31Å; D629-L631 VanDerWaalsContact O-N 3.1Å
630P48Very low44Very low125 Ų125157.8 Ų157.881%0.81278%0.782SS**  trans-87.461.2-170.736.3-38000114.2
631L41.3Very low43.4Very low135 Ų135158.3 Ų158.371%0.70778%0.781SS**  trans-107.340.5-178.7-79.3178.9000115.9D629D629-L631 PolarHBondContact O-N 3.31Å; D629-L631 VanDerWaalsContact O-N 3.1Å
632H44.6Very low43Very low185 Ų185158.8 Ų158.886%0.85678%0.779SS**SBendtrans-138.6138.5168.1-81.7-63.5000114.5
633R45.6Very low42.8Very low231 Ų231154.6 Ų154.687%0.87277%0.772SS**  trans71.357169.2-60.7-175.8177.3171.6-0117.4S635R633-S635 PolarHBondContact O-N 3.08Å
634L40.8Very low42.6Very low185 Ų185157.5 Ų157.597%0.96978%0.775SS**  trans-61.2103.4138.8-73168.7000109.4
635S38.9Very low42.1Very low98 Ų98153.4 Ų153.469%0.68577%0.771SS**  trans-158.587168.457.90000111.9R633R633-S635 PolarHBondContact O-N 3.08Å
636T38.9Very low41.8Very low132 Ų132153.8 Ų153.881%0.8177%0.766SS**  trans-77.1-170.1164.257.60000109.4
637P45.8Very low41.9Very low99 Ų99156.4 Ų156.464%0.64376%0.764SS**  cis-148.1-173.58.334-7.9000118.5
638R40.1Very low41.5Very low225 Ų225153.5 Ų153.585%0.84977%0.766SS**  trans78161.7159.6-47.4-171.7174.7160.7-3.1117.2
639L42.5Very low41.8Very low146 Ų146155.9 Ų155.976%0.76476%0.762SS**  cis-140152.813.5-85.8170.2000113.3
640Y38.5Very low42Very low191 Ų191156.7 Ų156.775%0.74976%0.762SS**  trans60133.5154.3-109.2-118000119.5
641E38.1Very low41.9Very low145 Ų145156.9 Ų156.968%0.67876%0.763SS**  63.8142.551-83.7-155135.900114.3
642A41Very low42Very low68 Ų68155.1 Ų155.156%0.56275%0.751SS**  cis-161.5-163.5-8.300000108.8
643D43.5Very low41.5Very low122 Ų122153.6 Ų153.665%0.65275%0.749SS**  trans72.4141.3162.1-81.1-37.3000118.4
644R45.2Very low41.3Very low182 Ų182152.7 Ų152.769%0.68775%0.748SS**  cis-152.1131.4-6.3-155164.7-83.1177.4-1.7110.7F646R644-F646 HydrophobicContact CG-CD2 4.2Å; R644-F646 HydrophobicContact CG-CE2 4.13Å
645S35.5Very low41.1Very low113 Ų113148.3 Ų148.379%0.7973%0.732SS**  trans-74.4124.6172.153.20000111.1
646F42.8Very low40.8Very low163 Ų163151.6 Ų151.672%0.71574%0.736SS**  trans-123.381.8173.4-105.4-82.6000113.5R644R644-F646 HydrophobicContact CG-CD2 4.2Å; R644-F646 HydrophobicContact CG-CE2 4.13Å
647R44.2Very low40.6Very low216 Ų216152.2 Ų152.282%0.81573%0.73SS**  trans64.3125.7150.6-62.1-172.1171.2-162.6-6.5118.6
648D38.5Very low40.2Very low166 Ų166156.4 Ų156.489%0.88874%0.74SS**  trans-40.9136.7152.7-49-95.4000111.6
649R45.8Very low40Very low221 Ų221153.1 Ų153.183%0.83473%0.734SS**  trans-134.1124.3154.6-157.7161.4-166.1137.54.3109.3
650E43Very low39.6Very low142 Ų142153.2 Ų153.266%0.66473%0.731SS**  trans-60.5154.1-174-175.9176.2-163.700112.3H652E650-H652 VanDerWaalsContact C-N 3.33Å; E650-H652 PolarHBondContact O-N 3.34Å; E650-H652 IonicContact OE2-CE1 3.47Å
651P44.3Very low39.3Very low130 Ų130151.3 Ų151.384%0.84473%0.728SS**  trans-70.886.4177.4-12.529000110.7
652H43.8Very low39.2Very low97 Ų97152.7 Ų152.745%0.44973%0.734SS.*  trans-78.7139.3176-61.9-33.2000111.7E650 Y654E650-H652 VanDerWaalsContact C-N 3.33Å; E650-H652 PolarHBondContact O-N 3.34Å; E650-H652 IonicContact OE2-CE1 3.47Å; H652-Y654 PolarHBondContact O-N 3.21Å
653D34.4Very low38.5Very low153 Ų153158.6 Ų158.682%0.81875%0.75SS**  trans-54.9130.4173.1-80.2-72.3000112.8
654Y42Very low38.3Very low213 Ų213157.2 Ų157.284%0.83575%0.748SS**  trans-12663.8166.3-82.9-75.3000111.1H652H652-Y654 PolarHBondContact O-N 3.21Å
655S35.2Very low37.7Very low92 Ų92156.5 Ų156.564%0.64376%0.757SS**  trans-72151.3147-73.30000109.8
656H34.2Very low37.6Very low167 Ų167155.8 Ų155.877%0.77376%0.758SS**  trans86.9148.7175.3-55-75.5000119.9
657H34.4Very low37.8Very low145 Ų145153.8 Ų153.867%0.67176%0.758SS**  trans7374164.1-58.4-51.1000120.3
658H37.8Very low37.7Very low187 Ų187148.2 Ų148.287%0.86675%0.745SS**  -120.181117.9-121.757.3000112
659H34.6Very low38.5Very low156 Ų156145.6 Ų145.672%0.72274%0.737SS**  trans-84.4117.7156.6-91.28.1000107.7
660H35Very low38.7Very low149 Ų149144.7 Ų144.769%0.6973%0.733SS**  trans-161.5104.9146.9-101.3-64.8000112.2
661H32.2Very low39.3Very low150 Ų150146.4 Ų146.469%0.69473%0.734SS**  trans67161.2153.7-54-54.5000121.8
662H34.5Very low39.8Very low174 Ų174147.7 Ų147.781%0.80673%0.729SS**  trans79.172.3161.3-52.7-61.2000120.5
663H28.1Very low40.5Very low193 Ų193150.6 Ų150.689%0.89474%0.742SS**  64.4160.9130-113.1-127.7000120
664P38.2Very low41.5Very low93 Ų93151 Ų15160%0.60474%0.739SS**  trans-98.9174.6-161.438.1-34.8000115.3
665L32.9Very low42.2Very low167 Ų167150.5 Ų150.587%0.87474%0.735SS**  trans97.3132.7164.3-52.2176000117.7
666A34.6Very low43.5Very low98 Ų98147.6 Ų147.681%0.8172%0.72SS**  trans66.586.9159.200000120.2
667V45Very low45.3Very low121 Ų121141.3 Ų141.373%0.73370%0.7SS**  trans-132.6128.8141.7-172.70000109.6
668D42.7Very low47Very low99 Ų99140.6 Ų140.653%0.52970%0.697SS.*  trans-48.8125.5-170.1-168.4-23.9000116.4R670 R671D668-R670 PolarHBondContact O-N 3.49Å; D668-R670 VanDerWaalsContact O-N 3.17Å; D668-R670 WeakPolarHBondContact OD1-CB 3.49Å; D668-R670 PolarHBondContact OD1-N 2.96Å; D668-R671 PolarHBondContact O-N 3.16Å
669P56.3Low49.1Very low110 Ų110137.2 Ų137.271%0.71469%0.685SS**THydrogen-bonded Turntrans-64.9-16.2178.128.7-36.5000113.9R671 E672P669-R671 PolarHBondContact O-N 3.19Å; P669-R671 VanDerWaalsContact O-N 3.16Å; P669-E672 PolarHBondContact O-N 2.95Å
670R50.1Low51.3Low202 Ų202134.9 Ų134.976%0.76268%0.678SS**Hα-helixtrans-60.8-23.5176-166.2177.4-174.8107.55.5112.9D668D668-R670 PolarHBondContact O-N 3.49Å; D668-R670 VanDerWaalsContact O-N 3.17Å; D668-R670 WeakPolarHBondContact OD1-CB 3.49Å; D668-R670 PolarHBondContact OD1-N 2.96Å
671R55.5Low53.6Low178 Ų178133.6 Ų133.667%0.67267%0.672SS**Hα-helixtrans-82.9-19.4-175-175.9172.7-80.7153-4.9114.6D668 P669D668-R671 PolarHBondContact O-N 3.16Å; P669-R671 PolarHBondContact O-N 3.19Å; P669-R671 VanDerWaalsContact O-N 3.16Å
672E53.5Low56.1Low158 Ų158134.8 Ų134.874%0.73867%0.67SS**Hα-helixtrans-82-32.5176.4-67.9-161.3129.400112.7P669 E674 R675 G676P669-E672 PolarHBondContact O-N 2.95Å; E672-E674 VanDerWaalsContact C-N 3.31Å; E672-E674 PolarHBondContact O-N 3.21Å; E672-R675 WeakPolarHBondContact O-CA 3.38Å; E672-R675 WeakPolarHBondContact O-CB 3.48Å; E672-R675 PolarHBondContact O-N 3.47Å; E672-G676 PolarHBondContact O-N 3Å
673H59.8Low58.7Low158 Ų158132.9 Ų132.973%0.73166%0.662SS**Hα-helixtrans-57.1-41.2-177.3-172.262.4000113R675 G676 G677H673-R675 VanDerWaalsContact C-N 3.29Å; H673-R675 PolarHBondContact O-N 3.45Å; H673-G676 PolarHBondContact O-N 2.95Å; H673-G677 PolarHBondContact O-N 3.11Å
674E55Low61.6Low160 Ų160132.1 Ų132.175%0.74865%0.651SS**Hα-helixtrans-70.3-20.7176.2-63.7-172.8143.700113.6E672E672-E674 VanDerWaalsContact C-N 3.31Å; E672-E674 PolarHBondContact O-N 3.21Å
675R56.5Low64Low203 Ų203132.5 Ų132.577%0.76665%0.648SS**Hα-helixtrans-83.5-37.1173.4-80.8-166.6171.7-148.5-0112.8E672 H673 L679E672-R675 WeakPolarHBondContact O-CA 3.38Å; E672-R675 WeakPolarHBondContact O-CB 3.48Å; E672-R675 PolarHBondContact O-N 3.47Å; H673-R675 VanDerWaalsContact C-N 3.29Å; H673-R675 PolarHBondContact O-N 3.45Å; R675-L679 PolarHBondContact O-N 2.78Å
676G63.3Low66.6Low32 Ų32129.8 Ų129.833%0.3363%0.63SS.*Hα-helixtrans-59-60.1173.100000110.6E672 H673 H678 L679 D680E672-G676 PolarHBondContact O-N 3Å; H673-G676 PolarHBondContact O-N 2.95Å; G676-H678 PolarHBondContact O-N 3.28Å; G676-L679 WeakPolarHBondContact O-CA 3.48Å; G676-L679 WeakPolarHBondContact O-CB 3.4Å; G676-L679 PolarHBondContact O-N 3.25Å; G676-D680 PolarHBondContact O-N 3.25Å
677G71.8Confident69.1Low34 Ų34128.4 Ų128.435%0.35161%0.612SS.*Hα-helixtrans-56.6-31-177.100000114.7H673 E681H673-G677 PolarHBondContact O-N 3.11Å; G677-E681 WeakPolarHBondContact O-CB 3.28Å; G677-E681 PolarHBondContact O-N 3.28Å
678H70.6Confident71.1Confident131 Ų131127.5 Ų127.561%0.60660%0.602SS**Hα-helixtrans-71.3-28.1174.8-171.5-50.9000112.8G676 R682G676-H678 PolarHBondContact O-N 3.28Å; H678-R682 WeakPolarHBondContact O-CB 3.36Å; H678-R682 PolarHBondContact O-N 2.84Å
679L80Confident73Confident116 Ų116130.9 Ų130.961%0.60761%0.607SS**Hα-helixtrans-76.3-46.6170.9-71.8170.7000110.6R675 G676 E681 R682 E683R675-L679 PolarHBondContact O-N 2.78Å; G676-L679 WeakPolarHBondContact O-CA 3.48Å; G676-L679 WeakPolarHBondContact O-CB 3.4Å; G676-L679 PolarHBondContact O-N 3.25Å; L679-E681 PolarHBondContact O-N 3.37Å; L679-R682 WeakPolarHBondContact O-CB 3.37Å; L679-R682 PolarHBondContact O-N 2.91Å; L679-R682 VanDerWaalsContact O-N 3.11Å; L679-E683 PolarHBondContact O-N 3.35Å
680D82.8Confident74.2Confident107 Ų107128.5 Ų128.557%0.57259%0.587SS**Hα-helixtrans-58.6-44.8177.7-57.5-54.6000111.8G676 E683 R684G676-D680 PolarHBondContact O-N 3.25Å; D680-E683 PolarHBondContact O-N 3.16Å; D680-R684 VanDerWaalsContact O-CB 3.29Å; D680-R684 WeakPolarHBondContact O-CB 3.39Å; D680-R684 PolarHBondContact O-N 3.01Å
681E82.5Confident75.5Confident121 Ų121123.6 Ų123.657%0.56558%0.575SS**Hα-helixtrans-68.8-34.2176.7-171.7174.5174.900111.8G677 L679 R684 L685G677-E681 WeakPolarHBondContact O-CB 3.28Å; G677-E681 PolarHBondContact O-N 3.28Å; L679-E681 PolarHBondContact O-N 3.37Å; E681-R684 PolarHBondContact O-N 3.17Å; E681-L685 HydrophobicContact CG-CD1 4.07Å; E681-L685 HydrophobicContact CG-CG 4.4Å; E681-L685 VanDerWaalsContact O-CB 3.31Å; E681-L685 WeakPolarHBondContact O-CB 3.48Å; E681-L685 VanDerWaalsContact O-CG 3.23Å; E681-L685 WeakPolarHBondContact O-CG 3.39Å; E681-L685 PolarHBondContact O-N 3.24Å
682R85Confident76.5Confident175 Ų175122.5 Ų122.566%0.6657%0.573SS**Hα-helixtrans-66.7-40.8175177.3176.3175.9167.5-1.6111.9H678 L679 H686H678-R682 WeakPolarHBondContact O-CB 3.36Å; H678-R682 PolarHBondContact O-N 2.84Å; L679-R682 WeakPolarHBondContact O-CB 3.37Å; L679-R682 PolarHBondContact O-N 2.91Å; L679-R682 VanDerWaalsContact O-N 3.11Å; R682-H686 PolarHBondContact O-N 3.18Å
683E87.9Confident77.3Confident135 Ų135119 Ų11963%0.63156%0.556SS**Hα-helixtrans-67.2-45.2174.7-173.4173.1167.600110.8L679 D680 L685 H686 V687L679-E683 PolarHBondContact O-N 3.35Å; D680-E683 PolarHBondContact O-N 3.16Å; E683-L685 VanDerWaalsContact C-N 3.31Å; E683-L685 PolarHBondContact O-N 2.92Å; E683-H686 WeakPolarHBondContact O-CA 3.47Å; E683-H686 WeakPolarHBondContact O-CB 3.35Å; E683-H686 PolarHBondContact O-N 3.25Å; E683-V687 PolarHBondContact O-N 3.07Å
684R90.6Very high77.2Confident177 Ų177117 Ų11767%0.66855%0.547SS*.Hα-helixtrans-57.4-40.4174.5-172.7-178.4-178.486.32.3112.9D680 E681 H686 L688D680-R684 VanDerWaalsContact O-CB 3.29Å; D680-R684 WeakPolarHBondContact O-CB 3.39Å; D680-R684 PolarHBondContact O-N 3.01Å; E681-R684 PolarHBondContact O-N 3.17Å; R684-H686 VanDerWaalsContact C-N 3.31Å; R684-L688 HydrophobicContact CG-CD1 4.25Å; R684-L688 WeakPolarHBondContact O-CB 3.11Å; R684-L688 VanDerWaalsContact O-CG 3.26Å; R684-L688 WeakPolarHBondContact O-CG 3.33Å; R684-L688 PolarHBondContact O-N 2.76Å; R684-L688 VanDerWaalsContact O-N 3.11Å
685L87.2Confident77.3Confident101 Ų101113.9 Ų113.953%0.52954%0.54SS..Hα-helixtrans-75.2-17.4175.2-72.7171.8000113.7E681 E683E681-L685 HydrophobicContact CG-CD1 4.07Å; E681-L685 HydrophobicContact CG-CG 4.4Å; E681-L685 VanDerWaalsContact O-CB 3.31Å; E681-L685 WeakPolarHBondContact O-CB 3.48Å; E681-L685 VanDerWaalsContact O-CG 3.23Å; E681-L685 WeakPolarHBondContact O-CG 3.39Å; E681-L685 PolarHBondContact O-N 3.24Å; E683-L685 VanDerWaalsContact C-N 3.31Å; E683-L685 PolarHBondContact O-N 2.92Å
686H87.8Confident77.3Confident109 Ų109111.5 Ų111.551%0.50553%0.532SS..Hα-helixtrans-74.1-59.2169.8-152.4-80.6000108.6R682 E683 R684 L688 R689 E690R682-H686 PolarHBondContact O-N 3.18Å; E683-H686 WeakPolarHBondContact O-CA 3.47Å; E683-H686 WeakPolarHBondContact O-CB 3.35Å; E683-H686 PolarHBondContact O-N 3.25Å; R684-H686 VanDerWaalsContact C-N 3.31Å; H686-L688 VanDerWaalsContact C-N 3.31Å; H686-L688 PolarHBondContact O-N 3.42Å; H686-R689 WeakPolarHBondContact O-CA 3.31Å; H686-R689 VanDerWaalsContact O-CB 3.28Å; H686-R689 WeakPolarHBondContact O-CB 3.33Å; H686-R689 PolarHBondContact O-N 2.95Å; H686-E690 IonicContact CE1-OE1 3.22Å; H686-E690 PolarHBondContact CE1-OE1 2.69Å; H686-E690 IonicContact CE1-OE2 3.53Å; H686-E690 IonicContact CG-OE1 3.63Å; H686-E690 IonicContact CG-OE2 2.68Å; H686-E690 IonicContact ND1-OE1 3.76Å; H686-E690 PolarHBondContact ND1-OE1 3.31Å; H686-E690 VanDerWaalsContact ND1-OE1 3.14Å; H686-E690 IonicContact ND1-OE2 2.74Å; H686-E690 PolarHBondContact ND1-OE2 3.26Å; H686-E690 PolarHBondContact O-N 3.22Å; H686-E690 VanDerWaalsContact O-N 3.08Å; H686-E690 VanDerWaalsContact O-OE1 3.11Å
687V86.8Confident76.8Confident70 Ų70116.1 Ų116.142%0.42455%0.548SS..Hα-helixtrans-53.7-44.5179.4178.20000112.2E683 R689 E690 D691E683-V687 PolarHBondContact O-N 3.07Å; V687-R689 PolarHBondContact O-N 3.34Å; V687-E690 PolarHBondContact N-OE2 2.97Å; V687-E690 PolarHBondContact O-N 2.81Å; V687-E690 VanDerWaalsContact O-N 3.16Å; V687-D691 WeakPolarHBondContact O-CB 3.43Å; V687-D691 PolarHBondContact O-N 3.38Å
688L88.6Confident75.4Confident101 Ų101122.2 Ų122.253%0.52957%0.567SS.*Hα-helixtrans-64.1-19.4176.3-73.9170.8000114.5R684 H686R684-L688 HydrophobicContact CG-CD1 4.25Å; R684-L688 WeakPolarHBondContact O-CB 3.11Å; R684-L688 VanDerWaalsContact O-CG 3.26Å; R684-L688 WeakPolarHBondContact O-CG 3.33Å; R684-L688 PolarHBondContact O-N 2.76Å; R684-L688 VanDerWaalsContact O-N 3.11Å; H686-L688 VanDerWaalsContact C-N 3.31Å; H686-L688 PolarHBondContact O-N 3.42Å
689R82.6Confident74.1Confident170 Ų170121.2 Ų121.264%0.64257%0.572SS**Hα-helixtrans-83-43.8171.1169.5172-67.8139.39.4111.2H686 V687 Y692 E693H686-R689 WeakPolarHBondContact O-CA 3.31Å; H686-R689 VanDerWaalsContact O-CB 3.28Å; H686-R689 WeakPolarHBondContact O-CB 3.33Å; H686-R689 PolarHBondContact O-N 2.95Å; V687-R689 PolarHBondContact O-N 3.34Å; R689-Y692 PolarHBondContact O-N 3.04Å; R689-E693 PolarHBondContact O-N 3.23Å; R689-E693 VanDerWaalsContact O-N 3.11Å
690E80.6Confident72.5Confident60 Ų60122 Ų12228%0.2858%0.582SS.*Hα-helixtrans-58.9-49174.2-77.984.1-10800111H686 V687 Y692 E693 H694H686-E690 IonicContact CE1-OE1 3.22Å; H686-E690 PolarHBondContact CE1-OE1 2.69Å; H686-E690 IonicContact CE1-OE2 3.53Å; H686-E690 IonicContact CG-OE1 3.63Å; H686-E690 IonicContact CG-OE2 2.68Å; H686-E690 IonicContact ND1-OE1 3.76Å; H686-E690 PolarHBondContact ND1-OE1 3.31Å; H686-E690 VanDerWaalsContact ND1-OE1 3.14Å; H686-E690 IonicContact ND1-OE2 2.74Å; H686-E690 PolarHBondContact ND1-OE2 3.26Å; H686-E690 PolarHBondContact O-N 3.22Å; H686-E690 VanDerWaalsContact O-N 3.08Å; H686-E690 VanDerWaalsContact O-OE1 3.11Å; V687-E690 PolarHBondContact N-OE2 2.97Å; V687-E690 PolarHBondContact O-N 2.81Å; V687-E690 VanDerWaalsContact O-N 3.16Å; E690-Y692 PolarHBondContact O-N 2.87Å; E690-Y692 VanDerWaalsContact O-N 3.12Å; E690-E693 PolarHBondContact O-N 3.32Å; E690-H694 VanDerWaalsContact C-CD2 3.44Å; E690-H694 WeakPolarHBondContact O-CB 3.38Å; E690-H694 PolarHBondContact O-CD2 2.7Å; E690-H694 PolarHBondContact O-N 3.29Å
691D78.4Confident70.3Confident99 Ų99125.7 Ų125.753%0.52960%0.595SS.*Hα-helixtrans-57.7-26.1176.6-78.5-26.5000113.5V687 P695V687-D691 WeakPolarHBondContact O-CB 3.43Å; V687-D691 PolarHBondContact O-N 3.38Å; D691-P695 WeakPolarHBondContact O-CD 3.14Å; D691-P695 WeakPolarHBondContact O-CG 3.39Å
692Y74.9Confident68.5Low156 Ų156125.6 Ų125.661%0.61261%0.605SS**Hα-helixtrans-85.6-29177.5-170.5-94.2000113.2R689 E690 R696R689-Y692 PolarHBondContact O-N 3.04Å; E690-Y692 PolarHBondContact O-N 2.87Å; E690-Y692 VanDerWaalsContact O-N 3.12Å; Y692-R696 WeakPolarHBondContact O-CD 2.76Å; Y692-R696 VanDerWaalsContact O-CG 3.31Å; Y692-R696 WeakPolarHBondContact O-CG 3.16Å
693E70Confident66.1Low85 Ų85121.4 Ų121.440%0.39761%0.608SS.*Hα-helixtrans-91-33.7179.9-68.9-68.6111.600112.6R689 E690 R696R689-E693 PolarHBondContact O-N 3.23Å; R689-E693 VanDerWaalsContact O-N 3.11Å; E690-E693 PolarHBondContact O-N 3.32Å; E693-R696 WeakPolarHBondContact O-CB 3.06Å; E693-R696 PolarHBondContact O-N 3.12Å; E693-R696 IonicContact OE1-CZ 2.82Å; E693-R696 IonicContact OE1-NH1 3.93Å; E693-R696 PolarHBondContact OE1-NH1 2.76Å
694H59.1Low63.7Low114 Ų114120.5 Ų120.553%0.52862%0.616SS.*G310 helixtrans-49.9-48.8175.2-77.9-49.2000115.1E690 R696 L697E690-H694 VanDerWaalsContact C-CD2 3.44Å; E690-H694 WeakPolarHBondContact O-CB 3.38Å; E690-H694 PolarHBondContact O-CD2 2.7Å; E690-H694 PolarHBondContact O-N 3.29Å; H694-R696 PolarHBondContact O-N 3.01Å; H694-R696 VanDerWaalsContact O-N 3.15Å; H694-L697 PolarHBondContact O-N 3.19Å
695P56.9Low61.7Low95 Ų95120.3 Ų120.362%0.61763%0.628SS**G310 helixtrans-71.3-5178.728.8-36.1000113.9D691D691-P695 WeakPolarHBondContact O-CD 3.14Å; D691-P695 WeakPolarHBondContact O-CG 3.39Å
696R56.9Low59.3Low154 Ų154122.8 Ų122.858%0.58164%0.641SS**G310 helixtrans-97.3-11.9-177.5-53.1-178.173.4-157.41113.2Y692 E693 H694Y692-R696 WeakPolarHBondContact O-CD 2.76Å; Y692-R696 VanDerWaalsContact O-CG 3.31Å; Y692-R696 WeakPolarHBondContact O-CG 3.16Å; E693-R696 WeakPolarHBondContact O-CB 3.06Å; E693-R696 PolarHBondContact O-N 3.12Å; E693-R696 IonicContact OE1-CZ 2.82Å; E693-R696 IonicContact OE1-NH1 3.93Å; E693-R696 PolarHBondContact OE1-NH1 2.76Å; H694-R696 PolarHBondContact O-N 3.01Å; H694-R696 VanDerWaalsContact O-N 3.15Å
697L52.6Low57.3Low129 Ų129120.9 Ų120.968%0.67565%0.651SS**SBendtrans-96.52.1-178.9-63.6177.7000114.2H694H694-L697 PolarHBondContact O-N 3.19Å
698H42.5Very low55.1Low162 Ų162126 Ų12675%0.7567%0.67SS**  trans-126.488.3-178.6-69.6-65.4000113.8
699P42.3Very low53.4Low109 Ų109129 Ų12971%0.70869%0.686SS**  trans-125.8174.2133.237.1-29.9000112.1
700V45.8Very low51.8Low134 Ų134125.3 Ų125.381%0.81268%0.684SS**  trans85.1103.5174.1-172.40000116.2
701H37.2Very low50Low183 Ų183131 Ų13185%0.84771%0.71SS**  trans-66.1150152.6-76.3-100.5000110
702P44.4Very low48.5Very low120 Ų120131.6 Ų131.678%0.77972%0.719SS**  -135.3156.2106.137.4-29000113.7
703A36.1Very low46.6Very low87 Ų87129.2 Ų129.272%0.71973%0.726SS**  trans-99.9178.6165.800000110.5
704S37.6Very low45.6Very low115 Ų115132.7 Ų132.780%0.80475%0.746SS**  trans82.1100.8169.8-54.50000117.5
705L46.6Very low45.1Very low174 Ų174134.7 Ų134.791%0.91176%0.76SS**  trans153132.5158.9-88160.2000105.6
706D38.8Very low44.6Very low152 Ų152136.3 Ų136.381%0.81377%0.768SS**  cis-148.4162-5.2177.230000107.8
707G44.5Very low44.2Very low70 Ų70135 Ų13572%0.72278%0.78SS**  trans159.579-179.200000115.8L709G707-L709 PolarHBondContact O-N 3.09Å
708H40.6Very low43.8Very low177 Ų177132.3 Ų132.382%0.81978%0.783SS**  trans-92.686.6-168.2-165.8-67.5000114.3
709L54.2Low44.2Very low165 Ų165132.9 Ų132.986%0.86479%0.791SS**  trans-134.8137.7167.6-76.1179.2000113.1G707G707-L709 PolarHBondContact O-N 3.09Å
710P47.8Very low44.7Very low91 Ų91133.3 Ų133.359%0.59179%0.794SS**  trans-92.4-173.2175.737.4-34.3000113
711H43.7Very low44.6Very low179 Ų179130.6 Ų130.683%0.82978%0.781SS**  trans109.5147.7169.8-59.2-60.7000115.9
712P46.8Very low45.4Very low112 Ų112130.9 Ų130.973%0.72779%0.785SS**  trans-110.5170-133.140.8-37.3000116.2
713S34.1Very low45.4Very low107 Ų107131.7 Ų131.775%0.74878%0.778SS**  trans6.4133.5149.7-48.90000119.3
714L48.5Very low45.5Very low157 Ų157136.1 Ų136.182%0.82278%0.777SS**  -174140.9119.3-98.9161.3000113.4
715L49.3Very low46.6Very low156 Ų156137.1 Ų137.182%0.81778%0.781SS**  trans70.393.7153.8-57.1172000122.1
716T45.5Very low46.5Very low129 Ų129138.1 Ų138.179%0.79177%0.772SS**  trans-68.7-177.7133.144.20000111.4
717P49.9Very low47.4Very low128 Ų128139 Ų13983%0.83178%0.775SS**  cis-132-173.7-3.740.5-22.8000115.2
718G43.5Very low47.1Very low72 Ų72139.3 Ų139.374%0.74277%0.766SS**  trans-170131.3165.700000115
719L50.6Low47.6Very low174 Ų174137.2 Ų137.291%0.91177%0.768SS**  trans-128.9-171.4177.8-58.1171.6000108.1
720P52.4Low46.7Very low118 Ų118135.9 Ų135.977%0.76677%0.767SS**  cis-137.3169.2-6.740.7-22.3000117.6
721S43.7Very low46.4Very low77 Ų77136.6 Ų136.654%0.53878%0.781SS.*  trans4.1146.5145.5-153.70000123.7H723S721-H723 PolarHBondContact OG-CD2 3.44Å; S721-H723 PolarHBondContact OG-NE2 2.59Å
722M54.2Low46.2Very low189 Ų189130.7 Ų130.793%0.93177%0.769SS**  trans-136.3151.7143.8-83.9-62.9-7800110.3
723H45.2Very low45.8Very low137 Ų137133.6 Ų133.663%0.63477%0.772SS**  trans-119.3141.1-159.2-82-117.9000116.1S721S721-H723 PolarHBondContact OG-CD2 3.44Å; S721-H723 PolarHBondContact OG-NE2 2.59Å
724Y38.3Very low46.2Very low180 Ų180135.3 Ų135.371%0.70677%0.768SS**  trans44.5155.5135.7-72.7-92000122.1R726Y724-R726 HydrophobicContact CD1-CB 3.94Å; Y724-R726 HydrophobicContact CE1-CB 4.34Å
725P59.5Low45.7Very low135 Ų135135.3 Ų135.388%0.87777%0.769SS**  -127.2146.194.736.6-31.6000113.7
726R45.3Very low45.3Very low196 Ų196130.9 Ų130.974%0.7476%0.761SS**  trans-124.8125.5171.6-178.1-173-172.5-177.74.7109.1Y724Y724-R726 HydrophobicContact CD1-CB 3.94Å; Y724-R726 HydrophobicContact CE1-CB 4.34Å
727I57.5Low45.1Very low170 Ų170131.7 Ų131.787%0.87276%0.76SS**  trans-102.1138.2163.953.9175.5000109.3
728S37.9Very low45.2Very low77 Ų77132.3 Ų132.354%0.53876%0.755SS.*  trans-112.2170.1-177-540000110.3
729P51.2Low45.2Very low132 Ų132134.9 Ų134.986%0.85775%0.752SS**  -128.2150.6116.235.6-31000113
730T36.5Very low45Very low138 Ų138135.9 Ų135.985%0.84775%0.749SS**  trans-143.3102.2173.1-63.10000109.9
731A41.7Very low44.4Very low106 Ų106136.7 Ų136.788%0.87675%0.752SS**  trans179.3146.8161.700000105.7
732G37.8Very low44.5Very low55 Ų55138.6 Ų138.657%0.56776%0.763SS**  cis167165.9-1.900000107.9
733H38.8Very low44.6Very low172 Ų172135 Ų13580%0.79675%0.753SS**  trans66.9160.1176.9-51.1-90.8000116.4
734Q42.8Very low44.5Very low144 Ų144135.2 Ų135.267%0.67377%0.765SS**  cis-165.8143.8-40.158.7-154.5-6.600109.5
735N38Very low44.6Very low156 Ų156131.3 Ų131.383%0.83477%0.769SS**  trans66.1143.7176.5-48.9-50.8000116.6
736G40.2Very low43.7Very low64 Ų64129.7 Ų129.766%0.6677%0.768SS**  cis174.9155.4-11.600000115.8
737L43Very low43.5Very low145 Ų145128.6 Ų128.676%0.75978%0.775SS**  trans71.1112.3148.5-8072.6000120.9
738L51.9Low42.4Very low141 Ų141126.3 Ų126.374%0.73878%0.775SS**  trans75.3138.3142-50.8172000117.1
739N41.9Very low42.7Very low127 Ų127127 Ų12768%0.67979%0.785SS**  cis-160.2151.92-131.2-19.8000114.6
740K46.3Very low43.1Very low195 Ų195126.3 Ų126.385%0.84878%0.781SS**  trans76144.7161.7-61.3-177176.8-175.30120.4
741T40.4Very low44.6Very low135 Ų135125.3 Ų125.383%0.82878%0.777SS**  trans-108.9163.3-168.426.20000113.9
742P46.1Very low45.6Very low116 Ų116126.1 Ų126.175%0.75377%0.773SS**  trans-9217317638.9-36.5000113
743P56.5Low46.2Very low114 Ų114131.6 Ų131.674%0.7479%0.788SS**  trans-135.3142.5145.736.6-23.8000115.2
744T43.7Very low46.5Very low142 Ų142131 Ų13187%0.87179%0.789SS**  trans62.2128.5140.4-51.60000121.1
745A39Very low46.3Very low97 Ų97129.3 Ų129.380%0.80279%0.794SS**  trans-75.3151.6176.600000114.7
746A42.3Very low46.6Very low102 Ų102128 Ų12884%0.84379%0.791SS**  trans-151.1156.2145.500000110.1
747L39.4Very low46.6Very low172 Ų172133.3 Ų133.390%0.90180%0.803SS**  trans-75.6160.4-169.4-63.9158.4000113.9
748S34.2Very low46.5Very low123 Ų123130.3 Ų130.386%0.8681%0.807SS**  trans70.674.9153.2-172.50000119.4
749A45.3Very low46Very low92 Ų92127.1 Ų127.176%0.7681%0.809SS**  trans-152.7139.9147.900000111.7
750P58.4Low46Very low117 Ų117132.5 Ų132.576%0.7682%0.82SS**PPolyproline II helixtrans-75.2154.5167.832.5-34000111.3
751P69.4Low45.9Very low117 Ų117129 Ų12976%0.7682%0.817SS**PPolyproline II helixtrans-67.5146-179.628-34.9000112.4
752P61.7Low46.1Very low123 Ų123126.4 Ų126.480%0.79982%0.817SS**PPolyproline II helixtrans-73.6145.8-175.229.7-35.5000113.2I754P752-I754 PolarHBondContact O-N 2.57Å
753L49.9Very low45.5Very low169 Ų169126.5 Ų126.589%0.88582%0.821SS**PPolyproline II helixtrans-72.3122.4175.8-67.3174.1000111.5S755L753-S755 PolarHBondContact O-N 3.14Å
754I46.9Very low44.8Very low159 Ų159126.5 Ų126.582%0.81582%0.82SS**PPolyproline II helixtrans-75.9119.9176-45.2175.1000109.2P752P752-I754 PolarHBondContact O-N 2.57Å
755S37.2Very low44.8Very low110 Ų110130.6 Ų130.677%0.76982%0.82SS**  trans-102.9113.1174.2-68.40000111.4L753L753-S755 PolarHBondContact O-N 3.14Å
756T46Very low45.1Very low127 Ų127136.2 Ų136.278%0.77982%0.82SS**  trans-128.1110.816750.50000106.3
757L40.2Very low45.2Very low176 Ų176136.2 Ų136.292%0.92181%0.81SS**  cis71.8107.233.6-154.977.5000113.2
758G40.6Very low45.3Very low82 Ų82134.4 Ų134.485%0.84581%0.806SS**  trans112.1122.5-175.800000111.8
759G41Very low45.9Very low75 Ų75134 Ų13477%0.77380%0.801SS**  cis-148.7177.7-3.500000111.7
760R42.3Very low46Very low240 Ų240137.4 Ų137.491%0.90681%0.805SS**  trans-101.8-144.5-172.8-58.3175.586.8-130.112112.2
761P42.9Very low45Very low122 Ų122137.2 Ų137.279%0.79281%0.807SS**  -119.4172.4-122.936.4-17.4000115.4
762G45.3Very low43.9Very low80 Ų80135.9 Ų135.983%0.82581%0.806SS**  trans-141.3133.9170.700000111.9
763S33.2Very low43Very low118 Ų118138.2 Ų138.283%0.82581%0.806SS**  trans-141.1-163.9-176.1-152.80000110.5
764P42.2Very low43Very low113 Ų113136.4 Ų136.473%0.73480%0.796SS**  -117.8163.6-112.138.2-22.7000114.9
765R44Very low43.2Very low229 Ų229137.9 Ų137.986%0.86479%0.791SS**  trans-162.1132.3164.5-112.3167.1-171.9-152.51114.3
766R45.4Very low43.6Very low214 Ų214138.4 Ų138.481%0.80878%0.781SS**  44.6144.7127.7-69.2-170.5160.7-134.7-0.9120.3
767T44.6Very low43.4Very low103 Ų103142.6 Ų142.663%0.63278%0.783SS**  cis-167138.86.66.80000113
768T40.3Very low43.9Very low133 Ų133140 Ų14082%0.81678%0.777SS**  trans45.7152.314544.60000124.7
769P47.7Very low44.3Very low116 Ų116142 Ų14275%0.75378%0.775SS**  trans-117.7175.8-171.444.4-33.6000115.9
770L46.4Very low44.4Very low163 Ų163143.9 Ų143.985%0.85378%0.776SS**  trans-149.5148.9162.9-76-178.9000113.3
771S38.7Very low44.6Very low113 Ų113139.6 Ų139.679%0.7977%0.766SS**  trans41.4146.5140.5-64.70000123.1
772A44.7Very low44.8Very low89 Ų89139.3 Ų139.374%0.73676%0.762SS**  cis-162.2-166-6.500000111.5
773E43Very low45.1Very low171 Ų171140.8 Ų140.880%0.79975%0.751SS**  trans-55.7176.8176.1-48.4167.199.400113.6
774I50.2Low46.1Very low131 Ų131143.7 Ų143.767%0.67275%0.748SS**  cis-171169.733.2-164.9140.3000113.1
775R51.1Low46.6Very low191 Ų191145.6 Ų145.672%0.72175%0.752SS**  trans81.7115145.3-141.591.3-163176.610.9122.4
776E45Very low47.3Very low120 Ų120142.2 Ų142.256%0.56175%0.75SS**  trans43.5123.3137-61.6-171.1103.600126.1
777R42.3Very low48Very low216 Ų216140.6 Ų140.682%0.81575%0.751SS**  trans57.1131.1130.7-87.1-177.2164.885.64.4122.6
778P51.3Low48.9Very low122 Ų122140.1 Ų140.179%0.79276%0.758SS**  trans-96.4160.916639-33.8000113.5
779P47.9Very low49.2Very low123 Ų123149.3 Ų149.380%0.79978%0.777SS**  trans-111.5159.6154.536.7-28.1000112.9
780S44.3Very low49.3Very low115 Ų115151 Ų15180%0.80478%0.779SS**  trans-75.7162.717550.30000113.5
781H46.2Very low49.5Very low149 Ų149150.3 Ų150.369%0.6978%0.775SS**  147.5120.2120.8178.7-96.5000113.2L783H781-L783 WeakPolarHBondContact CE1-CD1 3.49Å
782T47.1Very low50.1Low116 Ų116152.4 Ų152.471%0.71277%0.774SS**  trans-176.9122130.132.80000111.4
783L51.4Low50.4Low112 Ų112156.1 Ų156.159%0.58678%0.776SS**  trans46.1139.6130.2-7649.9000119.8H781H781-L783 WeakPolarHBondContact CE1-CD1 3.49Å
784K54.6Low50.8Low179 Ų179155.2 Ų155.278%0.77878%0.775SS**  cis-158.2144.913.7-131.5153.2-168.6175.40111.9
785D52.5Low50.9Low153 Ų153156.8 Ų156.882%0.81878%0.781SS**  trans-70.9177.8166.4-71.4-81.6000113.4
786I58Low50.9Low157 Ų157154.4 Ų154.481%0.80579%0.786SS**  trans125.2129.9158.7-69.5158.5000111.5
787E60.8Low51.3Low181 Ų181157 Ų15785%0.84680%0.803SS**  cis-158.7165.9-28.7-163.6171.9152.600106.7
788A63Low52.1Low93 Ų93152.1 Ų152.177%0.76980%0.802SS**  trans-79.1146.3-174.400000114.7
789R47.7Very low52.1Low325 Ų325154.8 Ų154.8100%1.22680%0.803SS**  trans-146.20148.1-91.7-164.3174.3-167-2.2109.5

Retrieved 789 of 789 residues in 674.1 ms (Link to these results)