A0A096MBA3_POEFO Loading...

MAP7 domain containing 3

AlphaFold DB , UniProt , Accession A0A096MBA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 864 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
1M35.8Very low42.9Very low233 Ų233139.5 Ų139.5100%1.14882%0.822SS**  090.60-56177.7101.100105.5
2S35.3Very low42.2Very low108 Ų108133.7 Ų133.776%0.75581%0.813SS**  76.8128.166-51.80000110.9
3T42.3Very low41.7Very low137 Ų137133.8 Ų133.884%0.8482%0.821SS**  cis-162.9147.72.71.80000111.6
4S42.3Very low41.2Very low107 Ų107136.4 Ų136.475%0.74883%0.827SS**  trans-64169.8156.7-61.10000110.7
5P61.5Low41.1Very low113 Ų113136.7 Ų136.773%0.73483%0.829SS**  cis-156.8-169.133.645.7-23.4000119.9
6R35.3Very low40.7Very low239 Ų239139.1 Ų139.190%0.90284%0.835SS**  trans104.8100.3144.5-89.7-175.9178.1-146.6-2121.2
7C33.8Very low40.4Very low118 Ų118145.1 Ų145.180%0.79784%0.839SS**  trans-75.8-170.3146.6-44.70000109.9
8P53.7Low40Very low124 Ų124142 Ų14281%0.80583%0.834SS**  cis-137.3-1676.242.2-21.2000116.4
9S40.9Very low40.3Very low107 Ų107141.4 Ų141.475%0.74883%0.834SS**  trans-86.1-173-179.155.20000113.9
10P52.4Low40Very low114 Ų114137.9 Ų137.974%0.7483%0.829SS**  -148170.292.740.9-24.4000117.8
11T38.6Very low39.8Very low135 Ų135138.2 Ų138.283%0.82883%0.831SS**  trans-11.6158.4157.7570000120.7
12G34.7Very low40.2Very low69 Ų69136 Ų13671%0.71182%0.818SS**  cis124.7122.3700000112.4
13C35Very low40.7Very low135 Ų135140.1 Ų140.191%0.91282%0.823SS**  trans-153.3122.5178.6-96.30000112.2
14D34.8Very low41.1Very low170 Ų170139.3 Ų139.391%0.90981%0.808SS**  trans-102.1148.5173.6-94.1-68.1000112.4
15V40.2Very low42Very low141 Ų141138 Ų13886%0.85580%0.795SS**  trans-137.5136.2173.9179.20000110.9
16L35.2Very low41.8Very low176 Ų176141 Ų14192%0.92180%0.799SS**  trans-65.8147.3-166.8-63.5160.6000114.7
17R35.8Very low42.8Very low240 Ų240137.8 Ų137.891%0.90679%0.792SS**  trans-113.3132.2171.6176.7172.6-72.9-179.5-1.8110.9
18A33Very low44Very low90 Ų90136.3 Ų136.374%0.74477%0.773SS**PPolyproline II helixtrans-79.6149.7179.100000113.1
19P45.7Very low44.1Very low131 Ų131133.5 Ų133.585%0.85175%0.751SS**PPolyproline II helixtrans-77.6143.7178.131.5-34.9000112.8
20G34.2Very low45Very low71 Ų71135.8 Ų135.873%0.73275%0.748SS**PPolyproline II helixtrans-86.1160.3175.800000113.6E22G20-E22 PolarHBondContact O-N 3.25Å
21V35Very low45.5Very low144 Ų144134.9 Ų134.987%0.87374%0.736SS**  trans-92.1100.7179.2-176.10000110.5
22E45.8Very low46.6Very low186 Ų186133.3 Ų133.387%0.86972%0.719SS**  trans-75.7144.7173.7-62.9-166141.700112.2G20G20-E22 PolarHBondContact O-N 3.25Å
23K43.9Very low47.6Very low195 Ų195136 Ų13685%0.84872%0.715SS**  trans-103.191.2179.3-68.3178.7-179173.60110.3
24K50.7Low48.5Very low121 Ų121131.8 Ų131.853%0.52669%0.69SS.*  trans-49141166.6-86.7-174169.8-1790110.9E32K24-E32 IonicContact NZ-OE1 2.64Å; K24-E32 IonicContact NZ-OE2 2.62Å; K24-E32 PolarHBondContact NZ-OE2 2.87Å
25T62.3Low49.5Very low79 Ų79129.3 Ų129.349%0.48567%0.673SS.*  trans-87157.6-179.4680000111.9K27 E28 N29T25-K27 PolarHBondContact O-N 3.21Å; T25-E28 WeakPolarHBondContact CB-OE2 3.25Å; T25-E28 PolarHBondContact N-OE2 2.77Å; T25-E28 PolarHBondContact O-N 2.88Å; T25-E28 VanDerWaalsContact O-N 3.08Å; T25-E28 PolarHBondContact OG1-OE2 2.78Å; T25-N29 PolarHBondContact O-N 3.42Å
26E57Low50.2Low177 Ų177125.7 Ų125.783%0.82765%0.654SS**Hα-helixtrans-59.9-23-176.9-63-174.8136.200114F30E26-F30 PolarHBondContact O-N 3.45Å
27K56.6Low51.2Low171 Ų171119.5 Ų119.574%0.74363%0.628SS**Hα-helixtrans-70.9-38.7176.2-71.4-175.6176.5-179.70112.7T25 F30 I31T25-K27 PolarHBondContact O-N 3.21Å; K27-F30 PolarHBondContact O-N 2.98Å; K27-I31 WeakPolarHBondContact O-CG1 3.14Å; K27-I31 PolarHBondContact O-N 3.22Å
28E59.2Low52.4Low87 Ų87112.3 Ų112.341%0.40761%0.611SS.*Hα-helixtrans-68.3-43.9178.7-66.2159.311200110T25 F30 I31 E32T25-E28 WeakPolarHBondContact CB-OE2 3.25Å; T25-E28 PolarHBondContact N-OE2 2.77Å; T25-E28 PolarHBondContact O-N 2.88Å; T25-E28 VanDerWaalsContact O-N 3.08Å; T25-E28 PolarHBondContact OG1-OE2 2.78Å; E28-F30 PolarHBondContact O-N 3.16Å; E28-I31 PolarHBondContact O-N 3.17Å; E28-I31 VanDerWaalsContact O-N 3.12Å; E28-E32 WeakPolarHBondContact O-CB 3.31Å; E28-E32 PolarHBondContact O-N 3.5Å
29N55.6Low53.9Low64 Ų64112.6 Ų112.634%0.34260%0.603SS.*Hα-helixtrans-58.1-31.7174.1-64.4-32.1000112.8T25 M33T25-N29 PolarHBondContact O-N 3.42Å; N29-M33 HydrophobicContact CB-CE 4.38Å; N29-M33 WeakPolarHBondContact O-CB 3.29Å; N29-M33 WeakPolarHBondContact O-CG 3.4Å; N29-M33 PolarHBondContact O-N 2.92Å; N29-M33 VanDerWaalsContact O-N 3.08Å
30F58.6Low55.2Low156 Ų156111.4 Ų111.468%0.68459%0.589SS**Hα-helixtrans-75-36.5177-169.4-95.1000112.8E26 K27 E28 M33 A34E26-F30 PolarHBondContact O-N 3.45Å; K27-F30 PolarHBondContact O-N 2.98Å; E28-F30 PolarHBondContact O-N 3.16Å; F30-M33 PolarHBondContact O-N 3.4Å; F30-A34 PolarHBondContact O-N 3.42Å
31I63Low57.1Low94 Ų94115.3 Ų115.348%0.48259%0.586SS.*Hα-helixtrans-67.7-45.4174.1-64.7167.1000109.7K27 E28 M33 A34 E35K27-I31 WeakPolarHBondContact O-CG1 3.14Å; K27-I31 PolarHBondContact O-N 3.22Å; E28-I31 PolarHBondContact O-N 3.17Å; E28-I31 VanDerWaalsContact O-N 3.12Å; I31-M33 VanDerWaalsContact C-N 3.27Å; I31-M33 PolarHBondContact O-N 2.8Å; I31-A34 WeakPolarHBondContact O-CA 3.45Å; I31-A34 WeakPolarHBondContact O-CB 3.46Å; I31-A34 PolarHBondContact O-N 2.9Å; I31-E35 HydrophobicContact CG2-CG 4.46Å; I31-E35 WeakPolarHBondContact CG2-OE1 3.23Å; I31-E35 PolarHBondContact O-N 3.39Å
32E62.1Low59.3Low102 Ų102110.5 Ų110.548%0.47757%0.565SS.*Hα-helixtrans-60.5-34.9176.6-160.2170.8142.900112K24 E28 S36K24-E32 IonicContact NZ-OE1 2.64Å; K24-E32 IonicContact NZ-OE2 2.62Å; K24-E32 PolarHBondContact NZ-OE2 2.87Å; E28-E32 WeakPolarHBondContact O-CB 3.31Å; E28-E32 PolarHBondContact O-N 3.5Å; E32-S36 WeakPolarHBondContact O-CB 3.38Å; E32-S36 PolarHBondContact O-N 3.22Å; E32-S36 PolarHBondContact O-OG 2.88Å
33M56.1Low60.9Low125 Ų125105.8 Ų105.862%0.61655%0.546SS*.Hα-helixtrans-71-30.5170.2-78.5-173.2-124.800114.1N29 F30 I31 S36 A37N29-M33 HydrophobicContact CB-CE 4.38Å; N29-M33 WeakPolarHBondContact O-CB 3.29Å; N29-M33 WeakPolarHBondContact O-CG 3.4Å; N29-M33 PolarHBondContact O-N 2.92Å; N29-M33 VanDerWaalsContact O-N 3.08Å; F30-M33 PolarHBondContact O-N 3.4Å; I31-M33 VanDerWaalsContact C-N 3.27Å; I31-M33 PolarHBondContact O-N 2.8Å; M33-S36 WeakPolarHBondContact CA-OG 3.38Å; M33-S36 PolarHBondContact O-OG 2.83Å; M33-A37 VanDerWaalsContact O-CB 3.27Å; M33-A37 WeakPolarHBondContact O-CB 3.27Å; M33-A37 PolarHBondContact O-N 3.33Å
34A54.2Low62.5Low48 Ų48105 Ų10540%0.39754%0.538SS..Hα-helixtrans-73.2-42.217600000111.7F30 I31 A37 T38F30-A34 PolarHBondContact O-N 3.42Å; I31-A34 WeakPolarHBondContact O-CA 3.45Å; I31-A34 WeakPolarHBondContact O-CB 3.46Å; I31-A34 PolarHBondContact O-N 2.9Å; A34-A37 WeakPolarHBondContact O-CB 3.47Å; A34-A37 PolarHBondContact O-N 2.97Å; A34-T38 PolarHBondContact O-N 3.47Å
35E54.8Low64Low118 Ų118102.2 Ų102.255%0.55154%0.537SS*.Hα-helixtrans-72.6-37.1-180-68.3175.2-18000112.5I31 A37 T38 T39I31-E35 HydrophobicContact CG2-CG 4.46Å; I31-E35 WeakPolarHBondContact CG2-OE1 3.23Å; I31-E35 PolarHBondContact O-N 3.39Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 2.91Å; E35-T38 WeakPolarHBondContact CA-OG1 3.31Å; E35-T38 PolarHBondContact O-N 3.36Å; E35-T38 PolarHBondContact O-OG1 2.65Å; E35-T39 WeakPolarHBondContact O-CG2 3.29Å; E35-T39 PolarHBondContact O-N 2.75Å; E35-T39 PolarHBondContact O-OG1 2.98Å
36S55.7Low65.1Low65 Ų65104.8 Ų104.846%0.45554%0.544SS..Hα-helixtrans-65.9-30.116954.10000112.5E32 M33 T39 L40E32-S36 WeakPolarHBondContact O-CB 3.38Å; E32-S36 PolarHBondContact O-N 3.22Å; E32-S36 PolarHBondContact O-OG 2.88Å; M33-S36 WeakPolarHBondContact CA-OG 3.38Å; M33-S36 PolarHBondContact O-OG 2.83Å; S36-T39 VanDerWaalsContact CA-OG1 3.32Å; S36-T39 WeakPolarHBondContact CA-OG1 3.13Å; S36-T39 PolarHBondContact O-OG1 3.18Å; S36-L40 VanDerWaalsContact O-CB 3.23Å; S36-L40 WeakPolarHBondContact O-CB 3.4Å; S36-L40 PolarHBondContact O-N 3.27Å
37A57.2Low66.3Low45 Ų45102 Ų10237%0.37253%0.532SS..Hα-helixtrans-75.8-28.5174.300000114.1M33 A34 E35 K41M33-A37 VanDerWaalsContact O-CB 3.27Å; M33-A37 WeakPolarHBondContact O-CB 3.27Å; M33-A37 PolarHBondContact O-N 3.33Å; A34-A37 WeakPolarHBondContact O-CB 3.47Å; A34-A37 PolarHBondContact O-N 2.97Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 2.91Å; A37-K41 WeakPolarHBondContact O-CG 3.13Å; A37-K41 PolarHBondContact O-N 3.32Å
38T59.3Low67.8Low90 Ų9096.1 Ų96.155%0.55252%0.515SS*.Hα-helixtrans-78-44.3173.153.20000111.5A34 E35 L40 K41 G42A34-T38 PolarHBondContact O-N 3.47Å; E35-T38 WeakPolarHBondContact CA-OG1 3.31Å; E35-T38 PolarHBondContact O-N 3.36Å; E35-T38 PolarHBondContact O-OG1 2.65Å; T38-L40 PolarHBondContact O-N 3.3Å; T38-K41 WeakPolarHBondContact O-CB 3.31Å; T38-K41 PolarHBondContact O-N 3.04Å; T38-K41 VanDerWaalsContact O-N 3.13Å; T38-G42 PolarHBondContact O-N 2.85Å
39T66.3Low68.9Low95 Ų9594.8 Ų94.858%0.58352%0.519SS*.Hα-helixtrans-61.7-39.7175.148.80000112.4E35 S36 K41 G42 L43E35-T39 WeakPolarHBondContact O-CG2 3.29Å; E35-T39 PolarHBondContact O-N 2.75Å; E35-T39 PolarHBondContact O-OG1 2.98Å; S36-T39 VanDerWaalsContact CA-OG1 3.32Å; S36-T39 WeakPolarHBondContact CA-OG1 3.13Å; S36-T39 PolarHBondContact O-OG1 3.18Å; T39-K41 VanDerWaalsContact C-N 3.3Å; T39-K41 PolarHBondContact O-N 2.7Å; T39-G42 PolarHBondContact O-N 2.98Å; T39-G42 VanDerWaalsContact O-N 3.15Å; T39-L43 PolarHBondContact O-N 2.87Å
40L72.2Confident70Confident106 Ų10694.5 Ų94.556%0.55553%0.525SS*.Hα-helixtrans-63.6-32.3174.1-175.865.6000113.1S36 T38 R44S36-L40 VanDerWaalsContact O-CB 3.23Å; S36-L40 WeakPolarHBondContact O-CB 3.4Å; S36-L40 PolarHBondContact O-N 3.27Å; T38-L40 PolarHBondContact O-N 3.3Å; L40-R44 WeakPolarHBondContact O-CB 3.28Å; L40-R44 PolarHBondContact O-N 3.41Å; L40-R44 VanDerWaalsContact O-N 3.12Å
41K74.7Confident71.3Confident154 Ų15490 Ų9067%0.6752%0.517SS*.Hα-helixtrans-69.7-42.7171.7-73.2171-177.5173.60111.3A37 T38 T39 R44 A45A37-K41 WeakPolarHBondContact O-CG 3.13Å; A37-K41 PolarHBondContact O-N 3.32Å; T38-K41 WeakPolarHBondContact O-CB 3.31Å; T38-K41 PolarHBondContact O-N 3.04Å; T38-K41 VanDerWaalsContact O-N 3.13Å; T39-K41 VanDerWaalsContact C-N 3.3Å; T39-K41 PolarHBondContact O-N 2.7Å; K41-R44 PolarHBondContact O-N 2.8Å; K41-A45 PolarHBondContact O-N 2.78Å
42G80.7Confident72.4Confident42 Ų4292.2 Ų92.243%0.43353%0.526SS..Hα-helixtrans-57.5-50174.200000112.2T38 T39 R44 A45 Q46T38-G42 PolarHBondContact O-N 2.85Å; T39-G42 PolarHBondContact O-N 2.98Å; T39-G42 VanDerWaalsContact O-N 3.15Å; G42-R44 VanDerWaalsContact C-N 3.33Å; G42-R44 PolarHBondContact O-N 3.07Å; G42-A45 PolarHBondContact O-N 3.48Å; G42-A45 VanDerWaalsContact O-N 3.12Å; G42-Q46 WeakPolarHBondContact O-CB 3.44Å; G42-Q46 PolarHBondContact O-N 2.91Å
43L78.3Confident73.2Confident88 Ų8890.1 Ų90.146%0.46153%0.525SS..Hα-helixtrans-61-39.3177.6-170.667.5000112.2T39 Q46 M47T39-L43 PolarHBondContact O-N 2.87Å; L43-Q46 PolarHBondContact O-N 2.76Å; L43-M47 HydrophobicContact CG-CE 4.22Å; L43-M47 WeakPolarHBondContact O-CG 3.44Å; L43-M47 PolarHBondContact O-N 3.38Å
44R78.8Confident74.3Confident178 Ų17890.3 Ų90.367%0.67253%0.525SS*.Hα-helixtrans-65.5-39.8174.2-175.9177.5-69.7178.9-0.3112.3L40 K41 G42 A48L40-R44 WeakPolarHBondContact O-CB 3.28Å; L40-R44 PolarHBondContact O-N 3.41Å; L40-R44 VanDerWaalsContact O-N 3.12Å; K41-R44 PolarHBondContact O-N 2.8Å; G42-R44 VanDerWaalsContact C-N 3.33Å; G42-R44 PolarHBondContact O-N 3.07Å; R44-A48 WeakPolarHBondContact O-CB 3.28Å; R44-A48 PolarHBondContact O-N 2.84Å
45A82.3Confident75.2Confident62 Ų6291 Ų9151%0.51253%0.53SS..Hα-helixtrans-66.4-42175.900000111.6K41 G42 A48 A49K41-A45 PolarHBondContact O-N 2.78Å; G42-A45 PolarHBondContact O-N 3.48Å; G42-A45 VanDerWaalsContact O-N 3.12Å; A45-A48 PolarHBondContact O-N 3.46Å; A45-A49 PolarHBondContact O-N 3.09Å
46Q84.5Confident76.2Confident134 Ų13492.1 Ų92.163%0.62654%0.536SS*.Hα-helixtrans-61.4-45.6175.9-170.5-178.248.400112G42 L43 A48 A49 A50G42-Q46 WeakPolarHBondContact O-CB 3.44Å; G42-Q46 PolarHBondContact O-N 2.91Å; L43-Q46 PolarHBondContact O-N 2.76Å; Q46-A48 VanDerWaalsContact C-N 3.33Å; Q46-A48 PolarHBondContact O-N 2.78Å; Q46-A49 PolarHBondContact O-N 3.34Å; Q46-A50 WeakPolarHBondContact O-CB 3.44Å; Q46-A50 PolarHBondContact O-N 2.94Å
47M82.9Confident77.1Confident118 Ų11894.2 Ų94.258%0.58154%0.538SS*.Hα-helixtrans-63.7-36174.6-72.1-174-6600112.8L43 A51L43-M47 HydrophobicContact CG-CE 4.22Å; L43-M47 WeakPolarHBondContact O-CG 3.44Å; L43-M47 PolarHBondContact O-N 3.38Å; M47-A51 WeakPolarHBondContact O-CB 3.45Å; M47-A51 PolarHBondContact O-N 3.4Å
48A86.6Confident78.1Confident48 Ų48100.6 Ų100.640%0.39755%0.553SS.*Hα-helixtrans-67.7-43.5175.700000112R44 A45 Q46 A51 Q52R44-A48 WeakPolarHBondContact O-CB 3.28Å; R44-A48 PolarHBondContact O-N 2.84Å; A45-A48 PolarHBondContact O-N 3.46Å; Q46-A48 VanDerWaalsContact C-N 3.33Å; Q46-A48 PolarHBondContact O-N 2.78Å; A48-A51 PolarHBondContact O-N 2.76Å; A48-Q52 PolarHBondContact O-N 3.43Å
49A84.1Confident78.7Confident59 Ų59106 Ų10649%0.48856%0.563SS.*Hα-helixtrans-62.2-44.9175.800000112A45 Q46 A51 Q52 A53A45-A49 PolarHBondContact O-N 3.09Å; Q46-A49 PolarHBondContact O-N 3.34Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.37Å; A49-Q52 PolarHBondContact O-N 2.91Å; A49-A53 PolarHBondContact O-N 3.44Å
50A78.3Confident78.9Confident57 Ų57105.7 Ų105.747%0.47157%0.565SS.*Hα-helixtrans-61.4-40.1175.500000112.5Q46 A53 Q54Q46-A50 WeakPolarHBondContact O-CB 3.44Å; Q46-A50 PolarHBondContact O-N 2.94Å; A50-A53 PolarHBondContact O-N 2.96Å; A50-Q54 PolarHBondContact O-N 2.94Å; A50-Q54 VanDerWaalsContact O-N 3.14Å
51A84.4Confident78.5Confident62 Ų62107.2 Ų107.251%0.51257%0.573SS.*Hα-helixtrans-67.3-33.3175.300000112.9M47 A48 A49 A55M47-A51 WeakPolarHBondContact O-CB 3.45Å; M47-A51 PolarHBondContact O-N 3.4Å; A48-A51 PolarHBondContact O-N 2.76Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.37Å; A51-A55 WeakPolarHBondContact O-CB 3.19Å; A51-A55 PolarHBondContact O-N 3.19Å
52Q86.9Confident77.3Confident141 Ų141103.9 Ų103.966%0.65957%0.574SS**Hα-helixtrans-70.3-42.1173.1-75.5-176.5-111.600112.1A48 A49 Q54 A55 E56A48-Q52 PolarHBondContact O-N 3.43Å; A49-Q52 PolarHBondContact O-N 2.91Å; Q52-Q54 PolarHBondContact O-N 3.16Å; Q52-A55 WeakPolarHBondContact O-CA 3.45Å; Q52-A55 WeakPolarHBondContact O-CB 3.17Å; Q52-A55 PolarHBondContact O-N 3.14Å; Q52-E56 PolarHBondContact O-N 3.41Å
53A79.9Confident75.7Confident57 Ų57104.5 Ų104.547%0.47158%0.58SS.*Hα-helixtrans-58.3-4617600000111.9A49 A50 A55 E56 E57A49-A53 PolarHBondContact O-N 3.44Å; A50-A53 PolarHBondContact O-N 2.96Å; A53-A55 VanDerWaalsContact C-N 3.27Å; A53-A55 PolarHBondContact O-N 3.03Å; A53-E56 PolarHBondContact O-N 2.96Å; A53-E56 VanDerWaalsContact O-N 3.16Å; A53-E57 PolarHBondContact O-N 3.22Å
54Q78.3Confident74.4Confident130 Ų130108.3 Ų108.361%0.60760%0.601SS**Hα-helixtrans-68.1-22.4174.5-71.5-166.9-18.900113.9A50 Q52 R58A50-Q54 PolarHBondContact O-N 2.94Å; A50-Q54 VanDerWaalsContact O-N 3.14Å; Q52-Q54 PolarHBondContact O-N 3.16Å; Q54-R58 VanDerWaalsContact O-CD 3.27Å; Q54-R58 WeakPolarHBondContact O-CD 3.36Å; Q54-R58 WeakPolarHBondContact O-CG 3.39Å; Q54-R58 PolarHBondContact O-N 3.44Å
55A72.5Confident72.2Confident62 Ų62105.2 Ų105.251%0.51261%0.607SS.*Hα-helixtrans-77.1-30.9171.900000112.1A51 Q52 A53 R59A51-A55 WeakPolarHBondContact O-CB 3.19Å; A51-A55 PolarHBondContact O-N 3.19Å; Q52-A55 WeakPolarHBondContact O-CA 3.45Å; Q52-A55 WeakPolarHBondContact O-CB 3.17Å; Q52-A55 PolarHBondContact O-N 3.14Å; A53-A55 VanDerWaalsContact C-N 3.27Å; A53-A55 PolarHBondContact O-N 3.03Å; A55-R59 PolarHBondContact O-N 3.2Å
56E77.3Confident70.5Confident142 Ų142108.2 Ų108.266%0.66462%0.621SS**Hα-helixtrans-78.9-41.2178.4-170.2153.6-134.600112.3Q52 A53 R58 R59 S60Q52-E56 PolarHBondContact O-N 3.41Å; A53-E56 PolarHBondContact O-N 2.96Å; A53-E56 VanDerWaalsContact O-N 3.16Å; E56-R58 VanDerWaalsContact C-N 3.29Å; E56-R58 PolarHBondContact O-N 3.35Å; E56-R59 WeakPolarHBondContact O-CA 3.39Å; E56-R59 VanDerWaalsContact O-CB 3.29Å; E56-R59 WeakPolarHBondContact O-CB 3.42Å; E56-R59 PolarHBondContact O-N 3.38Å; E56-S60 PolarHBondContact O-N 2.67Å
57E74.7Confident68.1Low109 Ų109105 Ų10551%0.50962%0.624SS.*Hα-helixtrans-52.8-45.7168.4-176-163.1168.200111.7A53 R59 S60 L61A53-E57 PolarHBondContact O-N 3.22Å; E57-R59 PolarHBondContact O-N 2.78Å; E57-S60 PolarHBondContact O-N 2.93Å; E57-S60 PolarHBondContact O-OG 3.37Å; E57-L61 HydrophobicContact CG-CD1 4.36Å; E57-L61 WeakPolarHBondContact O-CG 3.49Å; E57-L61 PolarHBondContact O-N 2.81Å
58R77.4Confident66Low179 Ų179106 Ų10668%0.67564%0.639SS**Hα-helixtrans-70.9-11.4177-67.6174.573.9116.69.4113.6Q54 E56Q54-R58 VanDerWaalsContact O-CD 3.27Å; Q54-R58 WeakPolarHBondContact O-CD 3.36Å; Q54-R58 WeakPolarHBondContact O-CG 3.39Å; Q54-R58 PolarHBondContact O-N 3.44Å; E56-R58 VanDerWaalsContact C-N 3.29Å; E56-R58 PolarHBondContact O-N 3.35Å
59R72.4Confident63.4Low202 Ų202109.5 Ų109.576%0.76266%0.661SS**Hα-helixtrans-93.6-39177.2-163.7178.5-167.5166.53.8111.8A55 E56 E57 A62A55-R59 PolarHBondContact O-N 3.2Å; E56-R59 WeakPolarHBondContact O-CA 3.39Å; E56-R59 VanDerWaalsContact O-CB 3.29Å; E56-R59 WeakPolarHBondContact O-CB 3.42Å; E56-R59 PolarHBondContact O-N 3.38Å; E57-R59 PolarHBondContact O-N 2.78Å; R59-A62 PolarHBondContact O-N 2.62Å
60S68.7Low61.3Low90 Ų90111.1 Ų111.163%0.62967%0.674SS**Hα-helixtrans-65.1-40.817357.60000111.6E56 E57 A62 G63E56-S60 PolarHBondContact O-N 2.67Å; E57-S60 PolarHBondContact O-N 2.93Å; E57-S60 PolarHBondContact O-OG 3.37Å; S60-A62 PolarHBondContact O-N 3.45Å; S60-G63 PolarHBondContact O-N 3.2Å
61L64.4Low59.2Low138 Ų138115.4 Ų115.472%0.72369%0.694SS**THydrogen-bonded Turntrans-66-15.8175.4-70.1171.2000114.7E57E57-L61 HydrophobicContact CG-CD1 4.36Å; E57-L61 WeakPolarHBondContact O-CG 3.49Å; E57-L61 PolarHBondContact O-N 2.81Å
62A49Very low56.8Low84 Ų84117.7 Ų117.769%0.69471%0.706SS**THydrogen-bonded Turntrans-95.2-1.1-179.200000113.7R59 S60R59-A62 PolarHBondContact O-N 2.62Å; S60-A62 PolarHBondContact O-N 3.45Å
63G48Very low54.8Low54 Ų54116.4 Ų116.456%0.55771%0.71SS**  trans-110.445.4-16400000116.2S60S60-G63 PolarHBondContact O-N 3.2Å
64N50.3Low52.7Low169 Ų169119 Ų11990%0.90473%0.725SS**  trans-156.9115.9164.9-108.2-21.1000112.6
65S33.3Very low50.9Low113 Ų113118.9 Ų118.979%0.7972%0.723SS**  trans-160.6111.4168.7-176.40000110.2
66P47.2Very low49.8Very low125 Ų125121.9 Ų121.981%0.81274%0.737SS**PPolyproline II helixtrans-80.8131.8172.731.7-31.6000110.8
67G33.8Very low48.5Very low67 Ų67122.6 Ų122.669%0.69174%0.74SS**PPolyproline II helixtrans-73.1146.9177.100000112.8
68P39.2Very low46.7Very low138 Ų138120.1 Ų120.190%0.89674%0.743SS**PPolyproline II helixtrans-75.4132.6-179.230.6-34.3000112
69S31.7Very low44.9Very low121 Ų121118.1 Ų118.185%0.84676%0.756SS**PPolyproline II helixtrans-100.9143.6162.6-170.30000109.4
70A39.8Very low44.2Very low93 Ų93117.6 Ų117.677%0.76976%0.759SS**  trans-106.6130.5-174.600000112.1
71V34Very low43.4Very low147 Ų147119.1 Ų119.189%0.89177%0.767SS**  trans-159.8138152.9-100.40000110.3
72S34.7Very low43.1Very low110 Ų110118.6 Ų118.677%0.76977%0.769SS**  trans-84.5164.8165-40.50000109.7
73P44Very low42.9Very low114 Ų114121.6 Ų121.674%0.7477%0.772SS**  -155.4167.981.941-21.7000118.3
74S35.5Very low43Very low112 Ų112127 Ų12778%0.78379%0.788SS**  trans52.2128.2144.959.90000122.9
75K40.4Very low43.1Very low128 Ų128120.8 Ų120.856%0.55776%0.764SS**  trans-91.9164.6164.8-145170.1-172.6168.30110.5G832 S833K75-G832 PolarHBondContact NZ-O 2.83Å; K75-S833 VanDerWaalsContact CE-O 3.31Å; K75-S833 WeakPolarHBondContact CE-O 3.37Å; K75-S833 PolarHBondContact NZ-O 3.3Å
76P50.2Low44.1Very low125 Ų125118.6 Ų118.681%0.81275%0.752SS**  -144.6-179.2110.537.4-22000114.7
77Q50.6Low44.4Very low157 Ų157115.9 Ų115.973%0.73474%0.741SS**  trans-94.1165.1-171-61.6162-92.800114.2
78G36.8Very low45.4Very low56 Ų56118.4 Ų118.458%0.57774%0.738SS**  trans-147.5159.1166.400000111.7
79C38.3Very low46.9Very low138 Ų138120 Ų12093%0.93273%0.726SS**  trans-96.2164.3-170.1-78.90000115.5
80K59.3Low49.1Very low190 Ų190118.6 Ų118.683%0.82671%0.712SS**  trans-64.3163.8179.3-49.6178.1-175.2177.80112.8
81P51.3Low51.2Low123 Ų123118.1 Ų118.180%0.79970%0.696SS**  -131.91799539.2-32.1000114.6
82V57.2Low53.6Low127 Ų127113.9 Ų113.977%0.7767%0.669SS**  trans-97.9126.5-177.8175.60000110.7
83I45.5Very low55.9Low146 Ų146118.3 Ų118.375%0.74967%0.669SS**  trans-145.9149.1162.8-55.5-178.1000107.4G85I83-G85 VanDerWaalsContact C-N 3.27Å; I83-G85 PolarHBondContact O-N 2.92Å
84D50.7Low58Low167 Ų167118.5 Ų118.589%0.89366%0.663SS**SBendtrans-68.759.8-169.6-61.8-69.9000116.7
85G52.3Low60.5Low39 Ų39120 Ų12040%0.40265%0.652SS.*  trans-113.5-3167.800000114.3I83 R89I83-G85 VanDerWaalsContact C-N 3.27Å; I83-G85 PolarHBondContact O-N 2.92Å; G85-R89 VanDerWaalsContact O-CG 3.28Å; G85-R89 WeakPolarHBondContact O-CG 3.28Å
86A54.1Low62.7Low67 Ų67116.6 Ų116.655%0.55464%0.641SS**Hα-helixtrans-69.5-40.4-166.300000114.1R89 V90A86-R89 PolarHBondContact O-N 2.89Å; A86-R89 VanDerWaalsContact O-N 3.16Å; A86-V90 WeakPolarHBondContact O-CG2 3.35Å; A86-V90 PolarHBondContact O-N 2.88Å
87A54.3Low64.5Low69 Ų69112.8 Ų112.857%0.5762%0.62SS**Hα-helixtrans-56.8-56.5-177.500000111.6R89 V90 D91A87-R89 PolarHBondContact O-N 3.36Å; A87-R89 VanDerWaalsContact O-N 3.11Å; A87-V90 CarbonylContact O-C 3.57Å; A87-V90 WeakPolarHBondContact O-CA 3.17Å; A87-V90 WeakPolarHBondContact O-CB 3.37Å; A87-V90 PolarHBondContact O-N 3.4Å; A87-D91 PolarHBondContact O-N 3.36Å
88L54.6Low66.3Low120 Ų120112.2 Ų112.263%0.62862%0.615SS**Hα-helixtrans-52.2-37.3176-77.6162.8000113.1D92L88-D92 VanDerWaalsContact O-CB 3.31Å; L88-D92 WeakPolarHBondContact O-CB 3.49Å; L88-D92 PolarHBondContact O-N 2.97Å
89R69.4Low68.8Low172 Ų172115.2 Ų115.265%0.64961%0.614SS**Hα-helixtrans-76.9-27.1178.3-49.6-130.480.4164.97.9113.2G85 A86 A87 R93G85-R89 VanDerWaalsContact O-CG 3.28Å; G85-R89 WeakPolarHBondContact O-CG 3.28Å; A86-R89 PolarHBondContact O-N 2.89Å; A86-R89 VanDerWaalsContact O-N 3.16Å; A87-R89 PolarHBondContact O-N 3.36Å; A87-R89 VanDerWaalsContact O-N 3.11Å; R89-R93 WeakPolarHBondContact O-CB 3.34Å; R89-R93 VanDerWaalsContact O-CG 3.28Å; R89-R93 WeakPolarHBondContact O-CG 3.48Å; R89-R93 PolarHBondContact O-N 3.15Å; R89-R93 VanDerWaalsContact O-N 3.14Å
90V79.2Confident71.3Confident91 Ų91117 Ų11755%0.55260%0.601SS**Hα-helixtrans-73-43.6171170.80000109.7A86 A87 R93 L94A86-V90 WeakPolarHBondContact O-CG2 3.35Å; A86-V90 PolarHBondContact O-N 2.88Å; A87-V90 CarbonylContact O-C 3.57Å; A87-V90 WeakPolarHBondContact O-CA 3.17Å; A87-V90 WeakPolarHBondContact O-CB 3.37Å; A87-V90 PolarHBondContact O-N 3.4Å; V90-R93 CarbonylContact O-C 3.6Å; V90-R93 WeakPolarHBondContact O-CB 3.47Å; V90-R93 PolarHBondContact O-N 2.98Å; V90-L94 WeakPolarHBondContact O-CB 3.44Å; V90-L94 PolarHBondContact O-N 3.36Å
91D83.4Confident72.6Confident82 Ų82116.3 Ų116.344%0.43959%0.593SS.*Hα-helixtrans-65-42.8176.8-63.5-36.8000111.8A87 R93 L94 R95A87-D91 PolarHBondContact O-N 3.36Å; D91-R93 PolarHBondContact O-N 2.91Å; D91-L94 PolarHBondContact O-N 3.33Å; D91-R95 WeakPolarHBondContact O-CB 3.3Å; D91-R95 PolarHBondContact O-N 2.85Å
92D84.8Confident74.3Confident58 Ų58114.3 Ų114.331%0.3157%0.573SS.*Hα-helixtrans-59.2-44.9171.2-75.3-15.2000111.7L88 L94 R95 V96L88-D92 VanDerWaalsContact O-CB 3.31Å; L88-D92 WeakPolarHBondContact O-CB 3.49Å; L88-D92 PolarHBondContact O-N 2.97Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-L94 PolarHBondContact O-N 3Å; D92-R95 PolarHBondContact O-N 3.49Å; D92-R95 IonicContact OD1-CZ 2.67Å; D92-R95 IonicContact OD1-NH1 2.8Å; D92-R95 PolarHBondContact OD1-NH1 3.12Å; D92-R95 IonicContact OD1-NH2 3.2Å; D92-R95 PolarHBondContact OD1-NH2 3.38Å; D92-V96 WeakPolarHBondContact O-CG2 3.47Å; D92-V96 PolarHBondContact O-N 2.95Å
93R83.2Confident75.8Confident204 Ų204113.4 Ų113.477%0.7756%0.561SS**Hα-helixtrans-64-38.7176.2-84.5178.4162.9-150.2-2.9112.2R89 V90 D91 A97R89-R93 WeakPolarHBondContact O-CB 3.34Å; R89-R93 VanDerWaalsContact O-CG 3.28Å; R89-R93 WeakPolarHBondContact O-CG 3.48Å; R89-R93 PolarHBondContact O-N 3.15Å; R89-R93 VanDerWaalsContact O-N 3.14Å; V90-R93 CarbonylContact O-C 3.6Å; V90-R93 WeakPolarHBondContact O-CB 3.47Å; V90-R93 PolarHBondContact O-N 2.98Å; D91-R93 PolarHBondContact O-N 2.91Å; R93-A97 VanDerWaalsContact O-CB 3.24Å; R93-A97 WeakPolarHBondContact O-CB 3.39Å; R93-A97 PolarHBondContact O-N 3.32Å
94L86.4Confident77.8Confident118 Ų118109.1 Ų109.162%0.61855%0.547SS*.Hα-helixtrans-68.9-38.5177.1-16571.3000110.9V90 D91 D92 A97 K98V90-L94 WeakPolarHBondContact O-CB 3.44Å; V90-L94 PolarHBondContact O-N 3.36Å; D91-L94 PolarHBondContact O-N 3.33Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-L94 PolarHBondContact O-N 3Å; L94-A97 PolarHBondContact O-N 3.13Å; L94-K98 WeakPolarHBondContact O-CB 3.5Å; L94-K98 PolarHBondContact O-N 2.87Å
95R88.9Confident79.7Confident144 Ų144106.8 Ų106.854%0.54353%0.531SS..Hα-helixtrans-62.1-49.9174.3-157.7-175.9-47.4113.114.7111.2D91 D92 A97 K98 E99D91-R95 WeakPolarHBondContact O-CB 3.3Å; D91-R95 PolarHBondContact O-N 2.85Å; D92-R95 PolarHBondContact O-N 3.49Å; D92-R95 IonicContact OD1-CZ 2.67Å; D92-R95 IonicContact OD1-NH1 2.8Å; D92-R95 PolarHBondContact OD1-NH1 3.12Å; D92-R95 IonicContact OD1-NH2 3.2Å; D92-R95 PolarHBondContact OD1-NH2 3.38Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 3.45Å; R95-K98 WeakPolarHBondContact O-CB 3.47Å; R95-K98 PolarHBondContact O-N 2.88Å; R95-E99 WeakPolarHBondContact O-CB 3.49Å; R95-E99 PolarHBondContact O-N 3.23Å
96V87.4Confident81.6Confident56 Ų56110.8 Ų110.834%0.33954%0.537SS..Hα-helixtrans-66-32.5176.2173.10000112.2D92 R100D92-V96 WeakPolarHBondContact O-CG2 3.47Å; D92-V96 PolarHBondContact O-N 2.95Å; V96-R100 WeakPolarHBondContact O-CG 3.45Å; V96-R100 PolarHBondContact O-N 3.12Å; V96-R100 VanDerWaalsContact O-N 3.1Å
97A86.4Confident83.1Confident44 Ų44111.9 Ų111.936%0.36453%0.531SS..Hα-helixtrans-70.5-35.2173.400000112.6R93 L94 R95 R101R93-A97 VanDerWaalsContact O-CB 3.24Å; R93-A97 WeakPolarHBondContact O-CB 3.39Å; R93-A97 PolarHBondContact O-N 3.32Å; L94-A97 PolarHBondContact O-N 3.13Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 3.45Å; A97-R101 WeakPolarHBondContact O-CG 3.46Å; A97-R101 PolarHBondContact O-N 2.97Å
98K89.8Confident84.7Confident146 Ų146113.7 Ų113.764%0.63553%0.528SS*.Hα-helixtrans-68.7-47.2171.8-175.3-175.1175.2-172.20110.9L94 R95 R100 R101 E102L94-K98 WeakPolarHBondContact O-CB 3.5Å; L94-K98 PolarHBondContact O-N 2.87Å; R95-K98 WeakPolarHBondContact O-CB 3.47Å; R95-K98 PolarHBondContact O-N 2.88Å; K98-R100 VanDerWaalsContact C-N 3.32Å; K98-R100 PolarHBondContact O-N 2.99Å; K98-R101 WeakPolarHBondContact O-CA 3.38Å; K98-R101 WeakPolarHBondContact O-CB 3.42Å; K98-R101 PolarHBondContact O-N 3.45Å; K98-E102 PolarHBondContact O-N 3.45Å
99E87.9Confident86.4Confident118 Ų118110.5 Ų110.555%0.55152%0.518SS*.Hα-helixtrans-55.4-43.6178.1-177176.2-149.500112.1R95 R101 E102 E103R95-E99 WeakPolarHBondContact O-CB 3.49Å; R95-E99 PolarHBondContact O-N 3.23Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 3.05Å; E99-E102 PolarHBondContact O-N 3.31Å; E99-E103 WeakPolarHBondContact O-CB 3.36Å; E99-E103 PolarHBondContact O-N 3.04Å
100R90.6Very high87.5Confident175 Ų175107.8 Ų107.866%0.6652%0.516SS*.Hα-helixtrans-67.4-29175-73.4175.9-177.51543.3114.3V96 K98 A104V96-R100 WeakPolarHBondContact O-CG 3.45Å; V96-R100 PolarHBondContact O-N 3.12Å; V96-R100 VanDerWaalsContact O-N 3.1Å; K98-R100 VanDerWaalsContact C-N 3.32Å; K98-R100 PolarHBondContact O-N 2.99Å; R100-A104 WeakPolarHBondContact O-CB 3.49Å; R100-A104 PolarHBondContact O-N 2.8Å
101R86.3Confident87.8Confident176 Ų176110.2 Ų110.266%0.66452%0.515SS*.Hα-helixtrans-71.8-47.3171.1-70.8176.9-178.5175.50.5110A97 K98 E99 E103 A104 E105A97-R101 WeakPolarHBondContact O-CG 3.46Å; A97-R101 PolarHBondContact O-N 2.97Å; K98-R101 WeakPolarHBondContact O-CA 3.38Å; K98-R101 WeakPolarHBondContact O-CB 3.42Å; K98-R101 PolarHBondContact O-N 3.45Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 3.05Å; R101-E103 VanDerWaalsContact C-N 3.29Å; R101-E103 PolarHBondContact O-N 3.17Å; R101-A104 PolarHBondContact O-N 2.7Å; R101-A104 VanDerWaalsContact O-N 3.13Å; R101-E105 WeakPolarHBondContact O-CB 3.45Å; R101-E105 VanDerWaalsContact O-CG 3.27Å; R101-E105 WeakPolarHBondContact O-CG 3.39Å; R101-E105 PolarHBondContact O-N 3.35Å
102E87.3Confident87.9Confident81 Ų81111 Ų11138%0.37952%0.516SS..Hα-helixtrans-61.2-36177.6-161.2-173.1125.100112.1K98 E99 K106K98-E102 PolarHBondContact O-N 3.45Å; E99-E102 PolarHBondContact O-N 3.31Å; E102-K106 WeakPolarHBondContact O-CB 3.14Å; E102-K106 WeakPolarHBondContact O-CD 3.38Å; E102-K106 WeakPolarHBondContact O-CG 3.45Å; E102-K106 PolarHBondContact O-N 3.1Å; E102-K106 VanDerWaalsContact OE1-CE 3.29Å; E102-K106 WeakPolarHBondContact OE1-CE 3.33Å; E102-K106 IonicContact OE1-NZ 2.7Å; E102-K106 PolarHBondContact OE1-NZ 3.49Å
103E88.4Confident87.9Confident109 Ų109112 Ų11251%0.50953%0.528SS..Hα-helixtrans-68.6-43.9173-167.3-171.1175.700111.9E99 R101 E105 K106 Q107E99-E103 WeakPolarHBondContact O-CB 3.36Å; E99-E103 PolarHBondContact O-N 3.04Å; R101-E103 VanDerWaalsContact C-N 3.29Å; R101-E103 PolarHBondContact O-N 3.17Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E103-K106 PolarHBondContact O-N 2.94Å; E103-Q107 WeakPolarHBondContact O-CG 3.32Å; E103-Q107 PolarHBondContact O-N 2.87Å
104A89Confident87.9Confident56 Ų56106.4 Ų106.446%0.46351%0.511SS..Hα-helixtrans-62.8-41.6174.600000111.8R100 R101 Q107 Q108R100-A104 WeakPolarHBondContact O-CB 3.49Å; R100-A104 PolarHBondContact O-N 2.8Å; R101-A104 PolarHBondContact O-N 2.7Å; R101-A104 VanDerWaalsContact O-N 3.13Å; A104-Q107 PolarHBondContact O-N 3.28Å; A104-Q108 WeakPolarHBondContact O-CB 3.27Å; A104-Q108 PolarHBondContact O-N 2.84Å
105E91Very high88.1Confident117 Ų117105.6 Ų105.655%0.54751%0.506SS..Hα-helixtrans-63.8-42.7174.4-73.4162.4-158.300111.3R101 E103 Q107 Q108 A109R101-E105 WeakPolarHBondContact O-CB 3.45Å; R101-E105 VanDerWaalsContact O-CG 3.27Å; R101-E105 WeakPolarHBondContact O-CG 3.39Å; R101-E105 PolarHBondContact O-N 3.35Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E105-Q107 PolarHBondContact O-N 3.5Å; E105-Q108 PolarHBondContact O-N 3.11Å; E105-Q108 VanDerWaalsContact O-N 3.17Å; E105-A109 WeakPolarHBondContact O-CB 3.44Å; E105-A109 PolarHBondContact O-N 2.91Å
106K91.6Very high87.5Confident124 Ų124103.1 Ų103.154%0.53950%0.502SS..Hα-helixtrans-59.6-43.6171.4-77.1163-173.8164.80111.9E102 E103 Q108 L110E102-K106 WeakPolarHBondContact O-CB 3.14Å; E102-K106 WeakPolarHBondContact O-CD 3.38Å; E102-K106 WeakPolarHBondContact O-CG 3.45Å; E102-K106 PolarHBondContact O-N 3.1Å; E102-K106 VanDerWaalsContact OE1-CE 3.29Å; E102-K106 WeakPolarHBondContact OE1-CE 3.33Å; E102-K106 IonicContact OE1-NZ 2.7Å; E102-K106 PolarHBondContact OE1-NZ 3.49Å; E103-K106 PolarHBondContact O-N 2.94Å; K106-Q108 VanDerWaalsContact C-N 3.34Å; K106-L110 WeakPolarHBondContact O-CB 3.43Å; K106-L110 PolarHBondContact O-N 3.33Å
107Q85.3Confident87.4Confident89 Ų89104.9 Ų104.942%0.41651%0.506SS..Hα-helixtrans-68.1-31.7175.2-67.1-16825.600112.9E103 A104 E105 R111E103-Q107 WeakPolarHBondContact O-CG 3.32Å; E103-Q107 PolarHBondContact O-N 2.87Å; A104-Q107 PolarHBondContact O-N 3.28Å; E105-Q107 PolarHBondContact O-N 3.5Å; Q107-R111 WeakPolarHBondContact O-CG 3.41Å; Q107-R111 PolarHBondContact O-N 2.8Å; Q107-R111 PolarHBondContact O-NH1 2.81Å
108Q87.4Confident87.3Confident108 Ų108108.5 Ų108.551%0.50551%0.51SS..Hα-helixtrans-68.6-51.6173.6177.6171.4-23.500110.5A104 E105 K106 L110 R111 E112A104-Q108 WeakPolarHBondContact O-CB 3.27Å; A104-Q108 PolarHBondContact O-N 2.84Å; E105-Q108 PolarHBondContact O-N 3.11Å; E105-Q108 VanDerWaalsContact O-N 3.17Å; K106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-L110 PolarHBondContact O-N 2.91Å; Q108-R111 WeakPolarHBondContact O-CA 3.39Å; Q108-R111 WeakPolarHBondContact O-CB 3.24Å; Q108-R111 PolarHBondContact O-N 3.23Å; Q108-E112 HydrophobicContact CG-CG 4.33Å; Q108-E112 VanDerWaalsContact CG-OE1 3.25Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.31Å; Q108-E112 PolarHBondContact NE2-OE1 3.16Å; Q108-E112 WeakPolarHBondContact O-CG 3.49Å; Q108-E112 PolarHBondContact O-N 3.14Å
109A90.1Very high87.2Confident52 Ų52105.5 Ų105.543%0.4350%0.498SS..Hα-helixtrans-57.1-35.6177.100000112.7E105 S113E105-A109 WeakPolarHBondContact O-CB 3.44Å; E105-A109 PolarHBondContact O-N 2.91Å; A109-S113 WeakPolarHBondContact O-CB 3.34Å; A109-S113 PolarHBondContact O-N 2.96Å
110L92.3Very high87.1Confident116 Ų116108 Ų10861%0.60750%0.503SS*.Hα-helixtrans-67.3-39174.1-171.4149.4000112.4K106 Q108 Q114K106-L110 WeakPolarHBondContact O-CB 3.43Å; K106-L110 PolarHBondContact O-N 3.33Å; Q108-L110 PolarHBondContact O-N 2.91Å; L110-Q114 WeakPolarHBondContact O-CB 3.37Å; L110-Q114 PolarHBondContact O-N 3.37Å; L110-Q114 VanDerWaalsContact O-N 3.09Å
111R86.6Confident86.8Confident142 Ų142105 Ų10554%0.53650%0.495SS..Hα-helixtrans-68.8-42174.5-68.7174.9-169.5105.74111.4Q107 Q108 Q114 I115Q107-R111 WeakPolarHBondContact O-CG 3.41Å; Q107-R111 PolarHBondContact O-N 2.8Å; Q107-R111 PolarHBondContact O-NH1 2.81Å; Q108-R111 WeakPolarHBondContact O-CA 3.39Å; Q108-R111 WeakPolarHBondContact O-CB 3.24Å; Q108-R111 PolarHBondContact O-N 3.23Å; R111-Q114 PolarHBondContact O-N 2.95Å; R111-I115 VanDerWaalsContact O-CG1 3.32Å; R111-I115 WeakPolarHBondContact O-CG1 3.28Å; R111-I115 PolarHBondContact O-N 3.23Å
112E84.4Confident87Confident97 Ų9798.9 Ų98.945%0.45348%0.482SS..Hα-helixtrans-64.8-44.3176.1-71.5174.4-176.700111.8Q108 Q114 I115 M116Q108-E112 HydrophobicContact CG-CG 4.33Å; Q108-E112 VanDerWaalsContact CG-OE1 3.25Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.31Å; Q108-E112 PolarHBondContact NE2-OE1 3.16Å; Q108-E112 WeakPolarHBondContact O-CG 3.49Å; Q108-E112 PolarHBondContact O-N 3.14Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.9Å; E112-I115 CarbonylContact O-C 3.58Å; E112-I115 WeakPolarHBondContact O-CA 3.45Å; E112-I115 WeakPolarHBondContact O-CB 3.36Å; E112-I115 PolarHBondContact O-N 3.32Å; E112-M116 WeakPolarHBondContact O-CG 3.37Å; E112-M116 PolarHBondContact O-N 3.19Å
113S85.3Confident87Confident79 Ų79101 Ų10155%0.55249%0.489SS*.Hα-helixtrans-56.4-44.5172.4-178.70000111.8A109 I115 M116 E117A109-S113 WeakPolarHBondContact O-CB 3.34Å; A109-S113 PolarHBondContact O-N 2.96Å; S113-I115 VanDerWaalsContact C-N 3.32Å; S113-I115 PolarHBondContact O-N 2.86Å; S113-M116 PolarHBondContact O-N 3.28Å; S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 PolarHBondContact O-N 3.21Å
114Q82.4Confident87Confident88 Ų88100.9 Ų100.941%0.41149%0.492SS..Hα-helixtrans-65.8-30.8175.4-170.3-178.899.600113.1L110 R111 E112 R118L110-Q114 WeakPolarHBondContact O-CB 3.37Å; L110-Q114 PolarHBondContact O-N 3.37Å; L110-Q114 VanDerWaalsContact O-N 3.09Å; R111-Q114 PolarHBondContact O-N 2.95Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.9Å; Q114-R118 VanDerWaalsContact O-CG 3.29Å; Q114-R118 WeakPolarHBondContact O-CG 3.37Å; Q114-R118 PolarHBondContact O-N 3.31Å
115I91.4Very high86.7Confident100 Ų100104.3 Ų104.351%0.51350%0.499SS..Hα-helixtrans-71-48.1172.9-69.9162.4000110.1R111 E112 S113 E117 R118 E119R111-I115 VanDerWaalsContact O-CG1 3.32Å; R111-I115 WeakPolarHBondContact O-CG1 3.28Å; R111-I115 PolarHBondContact O-N 3.23Å; E112-I115 CarbonylContact O-C 3.58Å; E112-I115 WeakPolarHBondContact O-CA 3.45Å; E112-I115 WeakPolarHBondContact O-CB 3.36Å; E112-I115 PolarHBondContact O-N 3.32Å; S113-I115 VanDerWaalsContact C-N 3.32Å; S113-I115 PolarHBondContact O-N 2.86Å; I115-E117 VanDerWaalsContact C-N 3.3Å; I115-E117 PolarHBondContact O-N 3.01Å; I115-R118 WeakPolarHBondContact O-CB 3.32Å; I115-R118 PolarHBondContact O-N 2.99Å; I115-R118 VanDerWaalsContact O-N 3.16Å; I115-E119 PolarHBondContact O-N 2.83Å
116M75.7Confident86.5Confident93 Ų93102.5 Ų102.546%0.45850%0.495SS..Hα-helixtrans-60.9-37.1177.5-69.2-62.6-7200112.3E112 S113 E119 R120E112-M116 WeakPolarHBondContact O-CG 3.37Å; E112-M116 PolarHBondContact O-N 3.19Å; S113-M116 PolarHBondContact O-N 3.28Å; M116-E119 PolarHBondContact O-N 3.46Å; M116-R120 WeakPolarHBondContact O-CB 3.5Å; M116-R120 VanDerWaalsContact O-CG 3.3Å; M116-R120 WeakPolarHBondContact O-CG 3.4Å; M116-R120 PolarHBondContact O-N 3.29Å
117E87.2Confident86.4Confident92 Ų92101.6 Ų101.643%0.4349%0.493SS..Hα-helixtrans-67.4-40.5175.5-158.8-134.6-164.300112S113 I115 K121S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 PolarHBondContact O-N 3.21Å; I115-E117 VanDerWaalsContact C-N 3.3Å; I115-E117 PolarHBondContact O-N 3.01Å; E117-K121 VanDerWaalsContact CD-CE 3.44Å; E117-K121 WeakPolarHBondContact O-CG 3.46Å; E117-K121 PolarHBondContact O-N 3.12Å; E117-K121 VanDerWaalsContact OE1-CE 3.25Å; E117-K121 WeakPolarHBondContact OE1-CE 3.27Å; E117-K121 IonicContact OE1-NZ 3.59Å; E117-K121 PolarHBondContact OE1-NZ 3.01Å; E117-K121 WeakPolarHBondContact OE2-CE 3.34Å; E117-K121 IonicContact OE2-NZ 2.78Å; E117-K121 PolarHBondContact OE2-NZ 2.94Å
118R84Confident86.6Confident120 Ų120105.9 Ų105.945%0.45351%0.505SS..Hα-helixtrans-64.6-40171.9-73.9171.3179.9141.59.6112Q114 I115 K121 A122Q114-R118 VanDerWaalsContact O-CG 3.29Å; Q114-R118 WeakPolarHBondContact O-CG 3.37Å; Q114-R118 PolarHBondContact O-N 3.31Å; I115-R118 WeakPolarHBondContact O-CB 3.32Å; I115-R118 PolarHBondContact O-N 2.99Å; I115-R118 VanDerWaalsContact O-N 3.16Å; R118-K121 PolarHBondContact O-N 2.93Å; R118-A122 WeakPolarHBondContact O-CB 3.35Å; R118-A122 PolarHBondContact O-N 3.48Å
119E86.5Confident86.6Confident83 Ų83104.9 Ų104.939%0.38850%0.501SS..Hα-helixtrans-66.5-42.5178-161.6-166.913900111.6I115 M116 K121 A122 K123I115-E119 PolarHBondContact O-N 2.83Å; M116-E119 PolarHBondContact O-N 3.46Å; E119-K121 PolarHBondContact O-N 3.06Å; E119-A122 PolarHBondContact O-N 3.06Å; E119-K123 HydrophobicContact CG-CD 4.4Å; E119-K123 WeakPolarHBondContact O-CB 3.32Å; E119-K123 WeakPolarHBondContact O-CG 3.36Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 WeakPolarHBondContact OE1-CE 3.27Å; E119-K123 IonicContact OE1-NZ 2.66Å; E119-K123 PolarHBondContact OE1-NZ 2.79Å
120R86.8Confident85.9Confident171 Ų171107.2 Ų107.265%0.64550%0.503SS*.Hα-helixtrans-56.9-47.7171.2-75.1170.4176.7171.3-0.7111.3M116 A122 K123 L124M116-R120 WeakPolarHBondContact O-CB 3.5Å; M116-R120 VanDerWaalsContact O-CG 3.3Å; M116-R120 WeakPolarHBondContact O-CG 3.4Å; M116-R120 PolarHBondContact O-N 3.29Å; R120-A122 PolarHBondContact O-N 3.44Å; R120-K123 PolarHBondContact O-N 3.22Å; R120-L124 WeakPolarHBondContact O-CG 3.23Å; R120-L124 PolarHBondContact O-N 2.92Å
121K84.8Confident85.8Confident112 Ų112107.2 Ų107.249%0.48750%0.5SS..Hα-helixtrans-62.8-37.8176.8-72169.2-178.1172.50112.6E117 R118 E119 Q125E117-K121 VanDerWaalsContact CD-CE 3.44Å; E117-K121 WeakPolarHBondContact O-CG 3.46Å; E117-K121 PolarHBondContact O-N 3.12Å; E117-K121 VanDerWaalsContact OE1-CE 3.25Å; E117-K121 WeakPolarHBondContact OE1-CE 3.27Å; E117-K121 IonicContact OE1-NZ 3.59Å; E117-K121 PolarHBondContact OE1-NZ 3.01Å; E117-K121 WeakPolarHBondContact OE2-CE 3.34Å; E117-K121 IonicContact OE2-NZ 2.78Å; E117-K121 PolarHBondContact OE2-NZ 2.94Å; R118-K121 PolarHBondContact O-N 2.93Å; E119-K121 PolarHBondContact O-N 3.06Å; K121-Q125 PolarHBondContact O-N 3.3Å; K121-Q125 VanDerWaalsContact O-N 3.13Å
122A88.8Confident85.8Confident48 Ų48104.9 Ų104.940%0.39750%0.495SS..Hα-helixtrans-68.8-42.8175.500000112.5R118 E119 R120 Q125 V126R118-A122 WeakPolarHBondContact O-CB 3.35Å; R118-A122 PolarHBondContact O-N 3.48Å; E119-A122 PolarHBondContact O-N 3.06Å; R120-A122 PolarHBondContact O-N 3.44Å; A122-Q125 PolarHBondContact O-N 3.24Å; A122-V126 PolarHBondContact O-N 3.25Å
123K88.6Confident85.7Confident124 Ų124107.4 Ų107.454%0.53950%0.5SS..Hα-helixtrans-57.3-51.6174.3-79168.7166.9168.70111.1E119 R120 Q125 V126 E127E119-K123 HydrophobicContact CG-CD 4.4Å; E119-K123 WeakPolarHBondContact O-CB 3.32Å; E119-K123 WeakPolarHBondContact O-CG 3.36Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 WeakPolarHBondContact OE1-CE 3.27Å; E119-K123 IonicContact OE1-NZ 2.66Å; E119-K123 PolarHBondContact OE1-NZ 2.79Å; R120-K123 PolarHBondContact O-N 3.22Å; K123-Q125 VanDerWaalsContact C-N 3.28Å; K123-Q125 PolarHBondContact O-N 3.03Å; K123-V126 PolarHBondContact O-N 3.21Å; K123-V126 VanDerWaalsContact O-N 3.1Å; K123-E127 WeakPolarHBondContact O-CB 3.49Å; K123-E127 PolarHBondContact O-N 2.71Å
124L88.7Confident85.5Confident107 Ų107108.9 Ų108.956%0.5650%0.498SS*.Hα-helixtrans-57.9-36.1175.8-71.1167.6000113.1R120 R128R120-L124 WeakPolarHBondContact O-CG 3.23Å; R120-L124 PolarHBondContact O-N 2.92Å; L124-R128 VanDerWaalsContact O-CB 3.24Å; L124-R128 WeakPolarHBondContact O-CB 3.17Å; L124-R128 PolarHBondContact O-N 3.16Å
125Q81.4Confident85.9Confident129 Ų129111.8 Ų111.860%0.60351%0.51SS*.Hα-helixtrans-69.8-37.2176.6-170.3-178.559.100112.5K121 A122 K123 Q129K121-Q125 PolarHBondContact O-N 3.3Å; K121-Q125 VanDerWaalsContact O-N 3.13Å; A122-Q125 PolarHBondContact O-N 3.24Å; K123-Q125 VanDerWaalsContact C-N 3.28Å; K123-Q125 PolarHBondContact O-N 3.03Å; Q125-Q129 WeakPolarHBondContact O-CG 3.29Å; Q125-Q129 PolarHBondContact O-N 3.07Å
126V87.4Confident85.7Confident79 Ų79112.1 Ų112.148%0.47951%0.507SS..Hα-helixtrans-71.7-42.5175.8168.80000111A122 K123 Q129 Q130A122-V126 PolarHBondContact O-N 3.25Å; K123-V126 PolarHBondContact O-N 3.21Å; K123-V126 VanDerWaalsContact O-N 3.1Å; V126-Q129 PolarHBondContact O-N 2.62Å; V126-Q130 WeakPolarHBondContact O-CG 3.34Å; V126-Q130 PolarHBondContact O-N 3.18Å; V126-Q130 VanDerWaalsContact O-N 3.08Å
127E89.2Confident86.1Confident105 Ų105112.5 Ų112.549%0.49151%0.511SS..Hα-helixtrans-58.3-54.7175.1-178.6166.6-138.100111.2K123 Q129 Q130 E131K123-E127 WeakPolarHBondContact O-CB 3.49Å; K123-E127 PolarHBondContact O-N 2.71Å; E127-Q129 PolarHBondContact O-N 3.3Å; E127-Q129 VanDerWaalsContact O-N 3.14Å; E127-Q130 CarbonylContact O-C 3.57Å; E127-Q130 WeakPolarHBondContact O-CA 3.41Å; E127-Q130 WeakPolarHBondContact O-CB 3.46Å; E127-Q130 PolarHBondContact O-N 3.17Å; E127-E131 PolarHBondContact O-N 2.93Å
128R89.3Confident86Confident179 Ų179112.3 Ų112.368%0.67551%0.51SS*.Hα-helixtrans-53.6-36.8174.8180179171.2-179.20.5113.1L124 E132L124-R128 VanDerWaalsContact O-CB 3.24Å; L124-R128 WeakPolarHBondContact O-CB 3.17Å; L124-R128 PolarHBondContact O-N 3.16Å; R128-E132 WeakPolarHBondContact O-CB 3.27Å; R128-E132 PolarHBondContact O-N 3.33Å
129Q88.6Confident86.3Confident87 Ų87110.9 Ų110.941%0.40751%0.508SS..Hα-helixtrans-70.7-30.3174.9-80.4-170.65400113.4Q125 V126 E127 R133Q125-Q129 WeakPolarHBondContact O-CG 3.29Å; Q125-Q129 PolarHBondContact O-N 3.07Å; V126-Q129 PolarHBondContact O-N 2.62Å; E127-Q129 PolarHBondContact O-N 3.3Å; E127-Q129 VanDerWaalsContact O-N 3.14Å; Q129-R133 VanDerWaalsContact O-CD 3.23Å; Q129-R133 WeakPolarHBondContact O-CD 3.36Å; Q129-R133 WeakPolarHBondContact O-CG 3.48Å; Q129-R133 PolarHBondContact O-N 2.8Å; Q129-R133 PolarHBondContact O-NE 2.97Å
130Q74.9Confident86.3Confident101 Ų101113.1 Ų113.147%0.47252%0.518SS..Hα-helixtrans-74.5-44.6173.3-67.9-177.157.900110.7V126 E127 E132 R133 Q134V126-Q130 WeakPolarHBondContact O-CG 3.34Å; V126-Q130 PolarHBondContact O-N 3.18Å; V126-Q130 VanDerWaalsContact O-N 3.08Å; E127-Q130 CarbonylContact O-C 3.57Å; E127-Q130 WeakPolarHBondContact O-CA 3.41Å; E127-Q130 WeakPolarHBondContact O-CB 3.46Å; E127-Q130 PolarHBondContact O-N 3.17Å; Q130-E132 PolarHBondContact O-N 2.85Å; Q130-R133 WeakPolarHBondContact O-CB 3.48Å; Q130-R133 PolarHBondContact O-N 3.13Å; Q130-R133 VanDerWaalsContact O-N 3.17Å; Q130-Q134 WeakPolarHBondContact O-CG 3.4Å; Q130-Q134 PolarHBondContact O-N 2.85Å
131E89.4Confident86.5Confident116 Ų116113.7 Ų113.754%0.54252%0.521SS..Hα-helixtrans-56.2-45.9172.9-68.1-170.312600112.1E127 R133 Q134 K135E127-E131 PolarHBondContact O-N 2.93Å; E131-R133 VanDerWaalsContact C-N 3.26Å; E131-R133 PolarHBondContact O-N 3.47Å; E131-Q134 PolarHBondContact O-N 3.28Å; E131-K135 VanDerWaalsContact O-CB 3.23Å; E131-K135 WeakPolarHBondContact O-CB 3.48Å; E131-K135 PolarHBondContact O-N 2.99Å
132E86.7Confident86.4Confident93 Ų93114 Ų11444%0.43552%0.522SS..Hα-helixtrans-62.7-34.5179.5-161.8-164.4126.300112R128 Q130 K136R128-E132 WeakPolarHBondContact O-CB 3.27Å; R128-E132 PolarHBondContact O-N 3.33Å; Q130-E132 PolarHBondContact O-N 2.85Å; E132-K136 WeakPolarHBondContact O-CD 3.37Å; E132-K136 VanDerWaalsContact O-CG 3.28Å; E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 3.17Å; E132-K136 WeakPolarHBondContact OE1-CE 3.41Å; E132-K136 IonicContact OE1-NZ 3.12Å; E132-K136 PolarHBondContact OE1-NZ 3.29Å
133R81.8Confident86.4Confident149 Ų149116.7 Ų116.756%0.56253%0.525SS*.Hα-helixtrans-71.6-42.8174.8-66.4165-160.6178.77.3111.3Q129 Q130 E131 K136 L137Q129-R133 VanDerWaalsContact O-CD 3.23Å; Q129-R133 WeakPolarHBondContact O-CD 3.36Å; Q129-R133 WeakPolarHBondContact O-CG 3.48Å; Q129-R133 PolarHBondContact O-N 2.8Å; Q129-R133 PolarHBondContact O-NE 2.97Å; Q130-R133 WeakPolarHBondContact O-CB 3.48Å; Q130-R133 PolarHBondContact O-N 3.13Å; Q130-R133 VanDerWaalsContact O-N 3.17Å; E131-R133 VanDerWaalsContact C-N 3.26Å; E131-R133 PolarHBondContact O-N 3.47Å; R133-K136 PolarHBondContact O-N 3.35Å; R133-L137 WeakPolarHBondContact O-CG 3.44Å; R133-L137 PolarHBondContact O-N 2.86Å
134Q81.2Confident86.4Confident110 Ų110115.4 Ų115.451%0.51452%0.521SS..Hα-helixtrans-63.2-48.6175.6-70.9175.7900111.2Q130 E131 K136 L137 E138Q130-Q134 WeakPolarHBondContact O-CG 3.4Å; Q130-Q134 PolarHBondContact O-N 2.85Å; E131-Q134 PolarHBondContact O-N 3.28Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 2.79Å; Q134-L137 CarbonylContact O-C 3.58Å; Q134-L137 WeakPolarHBondContact O-CA 3.49Å; Q134-L137 WeakPolarHBondContact O-CB 3.4Å; Q134-L137 PolarHBondContact O-N 3.44Å; Q134-E138 PolarHBondContact O-N 2.81Å
135K90.9Very high86.4Confident150 Ų150115.5 Ų115.565%0.65252%0.518SS*.Hα-helixtrans-55.8-40177.2-174.1172.1-177.3172.80112.3E131 E138 E139E131-K135 VanDerWaalsContact O-CB 3.23Å; E131-K135 WeakPolarHBondContact O-CB 3.48Å; E131-K135 PolarHBondContact O-N 2.99Å; K135-E138 PolarHBondContact O-N 3.01Å; K135-E139 VanDerWaalsContact O-CB 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.42Å; K135-E139 PolarHBondContact O-N 3.35Å
136K88.7Confident86.3Confident107 Ų107115.6 Ų115.647%0.46552%0.519SS..Hα-helixtrans-65.9-35.3174.3-76167.8177.91730113E132 R133 Q134 Q140E132-K136 WeakPolarHBondContact O-CD 3.37Å; E132-K136 VanDerWaalsContact O-CG 3.28Å; E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 3.17Å; E132-K136 WeakPolarHBondContact OE1-CE 3.41Å; E132-K136 IonicContact OE1-NZ 3.12Å; E132-K136 PolarHBondContact OE1-NZ 3.29Å; R133-K136 PolarHBondContact O-N 3.35Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 2.79Å; K136-Q140 WeakPolarHBondContact O-CG 3.48Å; K136-Q140 PolarHBondContact O-N 2.75Å; K136-Q140 VanDerWaalsContact O-N 3.11Å
137L83.8Confident86.5Confident101 Ų101118.8 Ų118.853%0.52953%0.526SS..Hα-helixtrans-72.8-39.2174-67.1170.6000111.9R133 Q134 Q140 R141R133-L137 WeakPolarHBondContact O-CG 3.44Å; R133-L137 PolarHBondContact O-N 2.86Å; Q134-L137 CarbonylContact O-C 3.58Å; Q134-L137 WeakPolarHBondContact O-CA 3.49Å; Q134-L137 WeakPolarHBondContact O-CB 3.4Å; Q134-L137 PolarHBondContact O-N 3.44Å; L137-Q140 PolarHBondContact O-N 2.87Å; L137-R141 WeakPolarHBondContact O-CG 3.45Å; L137-R141 PolarHBondContact O-N 3.43Å
138E85.4Confident86.4Confident88 Ų88121.6 Ų121.641%0.41153%0.532SS..Hα-helixtrans-65.9-39.4173.5-69.6-16917100112.4Q134 K135 Q140 R141 K142Q134-E138 PolarHBondContact O-N 2.81Å; K135-E138 PolarHBondContact O-N 3.01Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 3.19Å; E138-R141 PolarHBondContact O-N 3.43Å; E138-K142 WeakPolarHBondContact O-CB 3.37Å; E138-K142 WeakPolarHBondContact O-CG 3.41Å; E138-K142 PolarHBondContact O-N 2.85Å
139E89.9Confident86.4Confident90 Ų90117.8 Ų117.842%0.42153%0.525SS..Hα-helixtrans-63.2-39.7174.2-167.6-165.3140.600111.3K135 K143K135-E139 VanDerWaalsContact O-CB 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.42Å; K135-E139 PolarHBondContact O-N 3.35Å; E139-K143 HydrophobicContact CG-CD 4.29Å; E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.25Å; E139-K143 VanDerWaalsContact O-CG 3.28Å; E139-K143 WeakPolarHBondContact O-CG 3.49Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 WeakPolarHBondContact OE1-CE 3.45Å; E139-K143 IonicContact OE1-NZ 2.58Å; E139-K143 PolarHBondContact OE1-NZ 3.39Å
140Q85.5Confident86.5Confident129 Ų129116 Ų11660%0.60353%0.525SS*.Hα-helixtrans-64.3-43.7172-75.6178.711.600112.1K136 L137 E138 K143 E144K136-Q140 WeakPolarHBondContact O-CG 3.48Å; K136-Q140 PolarHBondContact O-N 2.75Å; K136-Q140 VanDerWaalsContact O-N 3.11Å; L137-Q140 PolarHBondContact O-N 2.87Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 3.19Å; Q140-K143 PolarHBondContact O-N 3.27Å; Q140-E144 PolarHBondContact O-N 3.32Å
141R91.6Very high87.5Confident183 Ų183116.1 Ų116.169%0.69153%0.532SS*.Hα-helixtrans-59-49.5174.7-74.6175.1176.5-175.7-1.6111.5L137 E138 K143 E144 E145L137-R141 WeakPolarHBondContact O-CG 3.45Å; L137-R141 PolarHBondContact O-N 3.43Å; E138-R141 PolarHBondContact O-N 3.43Å; R141-K143 VanDerWaalsContact C-N 3.32Å; R141-K143 PolarHBondContact O-N 2.87Å; R141-E144 WeakPolarHBondContact O-CB 3.44Å; R141-E144 PolarHBondContact O-N 2.89Å; R141-E145 WeakPolarHBondContact O-CB 3.32Å; R141-E145 PolarHBondContact O-N 2.69Å
142K82.3Confident87.5Confident119 Ų119116.8 Ų116.852%0.51754%0.535SS..Hα-helixtrans-61-37.5176.9-73.1175.7178.4175.70112.4E138 E144 E145 Q146E138-K142 WeakPolarHBondContact O-CB 3.37Å; E138-K142 WeakPolarHBondContact O-CG 3.41Å; E138-K142 PolarHBondContact O-N 2.85Å; K142-E144 VanDerWaalsContact C-N 3.32Å; K142-E144 PolarHBondContact O-N 3.33Å; K142-E145 PolarHBondContact O-N 2.74Å; K142-Q146 WeakPolarHBondContact O-CB 3.4Å; K142-Q146 VanDerWaalsContact O-CG 3.29Å; K142-Q146 WeakPolarHBondContact O-CG 3.29Å; K142-Q146 PolarHBondContact O-N 3.31Å
143K89.4Confident87.8Confident104 Ų104117.5 Ų117.545%0.45254%0.539SS..Hα-helixtrans-71.7-20.6173.9-76.7172.9173176.20114E139 Q140 R141 K147E139-K143 HydrophobicContact CG-CD 4.29Å; E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.25Å; E139-K143 VanDerWaalsContact O-CG 3.28Å; E139-K143 WeakPolarHBondContact O-CG 3.49Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 WeakPolarHBondContact OE1-CE 3.45Å; E139-K143 IonicContact OE1-NZ 2.58Å; E139-K143 PolarHBondContact OE1-NZ 3.39Å; Q140-K143 PolarHBondContact O-N 3.27Å; R141-K143 VanDerWaalsContact C-N 3.32Å; R141-K143 PolarHBondContact O-N 2.87Å; K143-K147 VanDerWaalsContact O-CD 3.27Å; K143-K147 WeakPolarHBondContact O-CD 3.32Å; K143-K147 WeakPolarHBondContact O-CE 3.47Å; K143-K147 VanDerWaalsContact O-CG 3.29Å; K143-K147 WeakPolarHBondContact O-CG 3.45Å
144E88.9Confident88.2Confident97 Ų97116.9 Ų116.945%0.45354%0.54SS..Hα-helixtrans-83-43.8168.9-161.5-165.7142.100110.9Q140 R141 K142 Q146 K147 R148Q140-E144 PolarHBondContact O-N 3.32Å; R141-E144 WeakPolarHBondContact O-CB 3.44Å; R141-E144 PolarHBondContact O-N 2.89Å; K142-E144 VanDerWaalsContact C-N 3.32Å; K142-E144 PolarHBondContact O-N 3.33Å; E144-Q146 PolarHBondContact O-N 3.13Å; E144-K147 WeakPolarHBondContact O-CA 3.45Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 3.34Å; E144-R148 WeakPolarHBondContact O-CG 3.34Å; E144-R148 PolarHBondContact O-N 2.98Å; E144-R148 IonicContact OE1-CZ 2.79Å; E144-R148 IonicContact OE1-NE 2.61Å; E144-R148 PolarHBondContact OE1-NE 2.78Å; E144-R148 IonicContact OE1-NH2 2.63Å; E144-R148 PolarHBondContact OE1-NH2 3.08Å
145E87.9Confident88.5Confident110 Ų110120 Ų12051%0.51455%0.547SS..Hα-helixtrans-57.2-47.9175.9-176.4171.6-141.600111.9R141 K142 K147 R148 L149R141-E145 WeakPolarHBondContact O-CB 3.32Å; R141-E145 PolarHBondContact O-N 2.69Å; K142-E145 PolarHBondContact O-N 2.74Å; E145-K147 PolarHBondContact O-N 2.64Å; E145-R148 WeakPolarHBondContact O-CB 3.33Å; E145-R148 PolarHBondContact O-N 2.89Å; E145-R148 VanDerWaalsContact O-N 3.08Å; E145-L149 HydrophobicContact CG-CD1 4.15Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 WeakPolarHBondContact O-CG 3.32Å; E145-L149 PolarHBondContact O-N 3.06Å
146Q79.7Confident88.5Confident131 Ų131118.7 Ų118.761%0.61254%0.541SS*.Hα-helixtrans-56.2-36.7172.3-76.8175.1-20.600113K142 E144 A150K142-Q146 WeakPolarHBondContact O-CB 3.4Å; K142-Q146 VanDerWaalsContact O-CG 3.29Å; K142-Q146 WeakPolarHBondContact O-CG 3.29Å; K142-Q146 PolarHBondContact O-N 3.31Å; E144-Q146 PolarHBondContact O-N 3.13Å; Q146-A150 VanDerWaalsContact O-CB 3.31Å; Q146-A150 WeakPolarHBondContact O-CB 3.17Å; Q146-A150 PolarHBondContact O-N 3.03Å
147K91.1Very high88.7Confident146 Ų146116.1 Ų116.164%0.63553%0.531SS*.Hα-helixtrans-73.1-37.5176.2-67.9168.9-172.7174.30111.9K143 E144 E145 V151K143-K147 VanDerWaalsContact O-CD 3.27Å; K143-K147 WeakPolarHBondContact O-CD 3.32Å; K143-K147 WeakPolarHBondContact O-CE 3.47Å; K143-K147 VanDerWaalsContact O-CG 3.29Å; K143-K147 WeakPolarHBondContact O-CG 3.45Å; E144-K147 WeakPolarHBondContact O-CA 3.45Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 3.34Å; E145-K147 PolarHBondContact O-N 2.64Å; K147-V151 WeakPolarHBondContact O-CB 3.18Å; K147-V151 VanDerWaalsContact O-CG2 3.26Å; K147-V151 WeakPolarHBondContact O-CG2 3.48Å; K147-V151 PolarHBondContact O-N 3.38Å; K147-V151 VanDerWaalsContact O-N 3.07Å
148R86.6Confident88.9Confident163 Ų163117.8 Ų117.862%0.61553%0.534SS*.Hα-helixtrans-63.3-49.4174.4-69.3173177.1-1445.7110.2E144 E145 V151 E152E144-R148 WeakPolarHBondContact O-CG 3.34Å; E144-R148 PolarHBondContact O-N 2.98Å; E144-R148 IonicContact OE1-CZ 2.79Å; E144-R148 IonicContact OE1-NE 2.61Å; E144-R148 PolarHBondContact OE1-NE 2.78Å; E144-R148 IonicContact OE1-NH2 2.63Å; E144-R148 PolarHBondContact OE1-NH2 3.08Å; E145-R148 WeakPolarHBondContact O-CB 3.33Å; E145-R148 PolarHBondContact O-N 2.89Å; E145-R148 VanDerWaalsContact O-N 3.08Å; R148-V151 PolarHBondContact O-N 3.2Å; R148-E152 WeakPolarHBondContact O-CB 3.49Å; R148-E152 PolarHBondContact O-N 2.98Å
149L89.8Confident88.9Confident100 Ų100119 Ų11952%0.52454%0.54SS..Hα-helixtrans-59.9-46.1177.1-69171.7000112E145 V151 E152 E153E145-L149 HydrophobicContact CG-CD1 4.15Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 WeakPolarHBondContact O-CG 3.32Å; E145-L149 PolarHBondContact O-N 3.06Å; L149-V151 VanDerWaalsContact C-N 3.31Å; L149-V151 PolarHBondContact O-N 3.08Å; L149-E152 PolarHBondContact O-N 3.25Å; L149-E153 WeakPolarHBondContact O-CB 3.32Å; L149-E153 PolarHBondContact O-N 2.63Å
150A91.1Very high88.9Confident48 Ų48118.7 Ų118.740%0.39754%0.538SS..Hα-helixtrans-64.3-33.1176.900000113.3Q146 K154Q146-A150 VanDerWaalsContact O-CB 3.31Å; Q146-A150 WeakPolarHBondContact O-CB 3.17Å; Q146-A150 PolarHBondContact O-N 3.03Å; A150-K154 WeakPolarHBondContact O-CB 3.38Å; A150-K154 WeakPolarHBondContact O-CG 3.5Å; A150-K154 PolarHBondContact O-N 2.71Å
151V95.1Very high89.2Confident104 Ų104118.1 Ų118.163%0.6354%0.536SS*.Hα-helixtrans-73.7-36.5173.9167.80000111.5K147 R148 L149 R155K147-V151 WeakPolarHBondContact O-CB 3.18Å; K147-V151 VanDerWaalsContact O-CG2 3.26Å; K147-V151 WeakPolarHBondContact O-CG2 3.48Å; K147-V151 PolarHBondContact O-N 3.38Å; K147-V151 VanDerWaalsContact O-N 3.07Å; R148-V151 PolarHBondContact O-N 3.2Å; L149-V151 VanDerWaalsContact C-N 3.31Å; L149-V151 PolarHBondContact O-N 3.08Å; V151-R155 WeakPolarHBondContact O-CB 3.27Å; V151-R155 PolarHBondContact O-N 3.16Å
152E91.1Very high89.2Confident130 Ų130115.6 Ų115.661%0.60753%0.531SS*.Hα-helixtrans-69.6-41.9175.6-175.8156.5-13500111.9R148 L149 R155 K156R148-E152 WeakPolarHBondContact O-CB 3.49Å; R148-E152 PolarHBondContact O-N 2.98Å; L149-E152 PolarHBondContact O-N 3.25Å; E152-R155 WeakPolarHBondContact O-CB 3.45Å; E152-R155 PolarHBondContact O-N 3.24Å; E152-K156 WeakPolarHBondContact O-CB 3.15Å; E152-K156 PolarHBondContact O-N 3.4Å
153E91.1Very high89.8Confident108 Ų108116.5 Ų116.551%0.50554%0.535SS..Hα-helixtrans-58.8-48.2170.7-169.8-159.3147.700110.9L149 R155 K156 Q157L149-E153 WeakPolarHBondContact O-CB 3.32Å; L149-E153 PolarHBondContact O-N 2.63Å; E153-R155 VanDerWaalsContact C-N 3.29Å; E153-R155 PolarHBondContact O-N 3.31Å; E153-K156 PolarHBondContact O-N 2.86Å; E153-K156 VanDerWaalsContact O-N 3.16Å; E153-Q157 WeakPolarHBondContact O-CB 3.41Å; E153-Q157 WeakPolarHBondContact O-CG 3.46Å; E153-Q157 PolarHBondContact O-N 3.33Å; E153-Q157 PolarHBondContact OE1-NE2 2.86Å
154K91.3Very high90Very high136 Ų136117.5 Ų117.559%0.59154%0.542SS*.Hα-helixtrans-63.8-32.8176-79.9-73.8160.7-1520113.2A150 K158A150-K154 WeakPolarHBondContact O-CB 3.38Å; A150-K154 WeakPolarHBondContact O-CG 3.5Å; A150-K154 PolarHBondContact O-N 2.71Å; K154-K158 PolarHBondContact O-N 3.24Å
155R86.7Confident90.3Very high176 Ų176119.2 Ų119.266%0.66455%0.549SS*.Hα-helixtrans-68.7-41.9172.6-175.4-178.2-1761763.1111.5V151 E152 E153 K158 Q159V151-R155 WeakPolarHBondContact O-CB 3.27Å; V151-R155 PolarHBondContact O-N 3.16Å; E152-R155 WeakPolarHBondContact O-CB 3.45Å; E152-R155 PolarHBondContact O-N 3.24Å; E153-R155 VanDerWaalsContact C-N 3.29Å; E153-R155 PolarHBondContact O-N 3.31Å; R155-K158 PolarHBondContact O-N 2.8Å; R155-Q159 WeakPolarHBondContact O-CG 3.38Å; R155-Q159 PolarHBondContact O-N 2.77Å
156K92.5Very high90.6Very high123 Ų123121 Ų12154%0.53555%0.553SS.*Hα-helixtrans-64.7-48.8176.8-171.7-164.3170.5-153.20110.9E152 E153 K158 Q159 E160E152-K156 WeakPolarHBondContact O-CB 3.15Å; E152-K156 PolarHBondContact O-N 3.4Å; E153-K156 PolarHBondContact O-N 2.86Å; E153-K156 VanDerWaalsContact O-N 3.16Å; K156-K158 VanDerWaalsContact C-N 3.3Å; K156-K158 PolarHBondContact O-N 2.99Å; K156-Q159 CarbonylContact O-C 3.57Å; K156-Q159 WeakPolarHBondContact O-CA 3.3Å; K156-Q159 WeakPolarHBondContact O-CB 3.47Å; K156-Q159 PolarHBondContact O-N 3.04Å; K156-E160 IonicContact NZ-OE2 3.42Å; K156-E160 WeakPolarHBondContact O-CB 3.39Å; K156-E160 PolarHBondContact O-N 2.76Å
157Q91Very high91.3Very high53 Ų53118.5 Ų118.525%0.24854%0.541CS..Hα-helixtrans-51.9-47.7175.3-78166.7-2.200111.2E153 Q159 E160 E161E153-Q157 WeakPolarHBondContact O-CB 3.41Å; E153-Q157 WeakPolarHBondContact O-CG 3.46Å; E153-Q157 PolarHBondContact O-N 3.33Å; E153-Q157 PolarHBondContact OE1-NE2 2.86Å; Q157-Q159 VanDerWaalsContact C-N 3.32Å; Q157-Q159 PolarHBondContact O-N 3.09Å; Q157-E160 WeakPolarHBondContact O-CB 3.39Å; Q157-E160 PolarHBondContact O-N 3.38Å; Q157-E160 VanDerWaalsContact O-N 3.11Å; Q157-E161 WeakPolarHBondContact O-CB 3.36Å; Q157-E161 VanDerWaalsContact O-CG 3.28Å; Q157-E161 WeakPolarHBondContact O-CG 3.24Å; Q157-E161 PolarHBondContact O-N 2.81Å
158K89.9Confident91.5Very high135 Ų135114 Ų11459%0.58753%0.531SS*.Hα-helixtrans-61.1-37.1175.6-177.1172.3178.2178.40113.6K154 R155 K156 E160 E162K154-K158 PolarHBondContact O-N 3.24Å; R155-K158 PolarHBondContact O-N 2.8Å; K156-K158 VanDerWaalsContact C-N 3.3Å; K156-K158 PolarHBondContact O-N 2.99Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E162 VanDerWaalsContact O-CB 3.25Å; K158-E162 WeakPolarHBondContact O-CB 3.37Å; K158-E162 PolarHBondContact O-N 3.49Å
159Q85Confident92Very high114 Ų114109.3 Ų109.353%0.53352%0.521SS..Hα-helixtrans-72-29.6176.3-69.4179.8-51.200112.4R155 K156 Q157 K163R155-Q159 WeakPolarHBondContact O-CG 3.38Å; R155-Q159 PolarHBondContact O-N 2.77Å; K156-Q159 CarbonylContact O-C 3.57Å; K156-Q159 WeakPolarHBondContact O-CA 3.3Å; K156-Q159 WeakPolarHBondContact O-CB 3.47Å; K156-Q159 PolarHBondContact O-N 3.04Å; Q157-Q159 VanDerWaalsContact C-N 3.32Å; Q157-Q159 PolarHBondContact O-N 3.09Å; Q159-K163 VanDerWaalsContact O-CB 3.3Å; Q159-K163 WeakPolarHBondContact O-CB 3.23Å; Q159-K163 PolarHBondContact O-N 3.03Å
160E88.9Confident92.2Very high83 Ų83108.6 Ų108.639%0.38852%0.516SS..Hα-helixtrans-72.9-48.1175.3-158.4141.4-138.300110K156 Q157 K158 E162 K163 E164K156-E160 IonicContact NZ-OE2 3.42Å; K156-E160 WeakPolarHBondContact O-CB 3.39Å; K156-E160 PolarHBondContact O-N 2.76Å; Q157-E160 WeakPolarHBondContact O-CB 3.39Å; Q157-E160 PolarHBondContact O-N 3.38Å; Q157-E160 VanDerWaalsContact O-N 3.11Å; K158-E160 VanDerWaalsContact C-N 3.33Å; E160-E162 PolarHBondContact O-N 3.33Å; E160-K163 WeakPolarHBondContact O-CB 3.39Å; E160-K163 PolarHBondContact O-N 2.81Å; E160-E164 WeakPolarHBondContact O-CB 3.43Å; E160-E164 WeakPolarHBondContact O-CG 3.4Å; E160-E164 PolarHBondContact O-N 2.89Å
161E91.7Very high92.4Very high118 Ų118114.4 Ų114.455%0.55153%0.527SS*.Hα-helixtrans-55.6-43.8169.8-70.3164.3-166.400112.5Q157 E164 H165Q157-E161 WeakPolarHBondContact O-CB 3.36Å; Q157-E161 VanDerWaalsContact O-CG 3.28Å; Q157-E161 WeakPolarHBondContact O-CG 3.24Å; Q157-E161 PolarHBondContact O-N 2.81Å; E161-E164 PolarHBondContact O-N 2.99Å; E161-H165 VanDerWaalsContact O-CB 3.27Å; E161-H165 WeakPolarHBondContact O-CB 3.46Å; E161-H165 PolarHBondContact O-N 3.38Å
162E92.6Very high92.4Very high129 Ų129118.4 Ų118.460%0.60353%0.531SS*.Hα-helixtrans-67.1-37.8178.1-175.5170.4-170.100111.9K158 E160 Y166K158-E162 VanDerWaalsContact O-CB 3.25Å; K158-E162 WeakPolarHBondContact O-CB 3.37Å; K158-E162 PolarHBondContact O-N 3.49Å; E160-E162 PolarHBondContact O-N 3.33Å; E162-Y166 WeakPolarHBondContact O-CB 3.33Å; E162-Y166 PolarHBondContact O-N 2.83Å
163K94.1Very high92.5Very high138 Ų138116.1 Ų116.160%0.653%0.526SS*.Hα-helixtrans-68-45.4173.7179.1-166.8168.5-158.30111.7Q159 E160 Y166 E167Q159-K163 VanDerWaalsContact O-CB 3.3Å; Q159-K163 WeakPolarHBondContact O-CB 3.23Å; Q159-K163 PolarHBondContact O-N 3.03Å; E160-K163 WeakPolarHBondContact O-CB 3.39Å; E160-K163 PolarHBondContact O-N 2.81Å; K163-Y166 PolarHBondContact O-N 2.66Å; K163-E167 PolarHBondContact O-N 3.26Å
164E94.3Very high92.6Very high126 Ų126116 Ų11659%0.58953%0.528SS*.Hα-helixtrans-62.7-41.7175.9-75.7-177178.400111.5E160 E161 E167 A168E160-E164 WeakPolarHBondContact O-CB 3.43Å; E160-E164 WeakPolarHBondContact O-CG 3.4Å; E160-E164 PolarHBondContact O-N 2.89Å; E161-E164 PolarHBondContact O-N 2.99Å; E164-E167 PolarHBondContact O-N 2.8Å; E164-A168 VanDerWaalsContact O-CB 3.32Å; E164-A168 WeakPolarHBondContact O-CB 3.08Å; E164-A168 PolarHBondContact O-N 3.45Å
165H94.1Very high92.6Very high132 Ų132113.6 Ų113.661%0.61152%0.519SS*.Hα-helixtrans-62-43.8173.9176.7-92.4000111.7E161 A168 V169E161-H165 VanDerWaalsContact O-CB 3.27Å; E161-H165 WeakPolarHBondContact O-CB 3.46Å; E161-H165 PolarHBondContact O-N 3.38Å; H165-A168 PolarHBondContact O-N 3.25Å; H165-V169 WeakPolarHBondContact O-CG2 3.33Å; H165-V169 PolarHBondContact O-N 2.87Å
166Y95.4Very high92.9Very high148 Ų148114.2 Ų114.258%0.5852%0.522SS*.Hα-helixtrans-61.2-43.9173.6176.1-101000111.9E162 K163 V169 M170E162-Y166 WeakPolarHBondContact O-CB 3.33Å; E162-Y166 PolarHBondContact O-N 2.83Å; K163-Y166 PolarHBondContact O-N 2.66Å; Y166-V169 PolarHBondContact O-N 3.13Å; Y166-M170 HydrophobicContact CD1-CG 4.37Å; Y166-M170 HydrophobicContact CE1-CG 3.89Å; Y166-M170 HydrophobicContact CE2-CG 4.27Å; Y166-M170 HydrophobicContact CE2-SD 4.48Å; Y166-M170 WeakPolarHBondContact O-CG 3.43Å; Y166-M170 PolarHBondContact O-N 3.48Å
167E94.4Very high92.9Very high78 Ų78112 Ų11236%0.36452%0.521SS..Hα-helixtrans-64.6-40.8176.8-162.9-174139.500111.8K163 E164 V169 M170 R171K163-E167 PolarHBondContact O-N 3.26Å; E164-E167 PolarHBondContact O-N 2.8Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 3.32Å; E167-M170 PolarHBondContact O-N 3.05Å; E167-M170 VanDerWaalsContact O-N 3.17Å; E167-R171 HydrophobicContact CG-CG 4.5Å; E167-R171 WeakPolarHBondContact O-CB 3.47Å; E167-R171 WeakPolarHBondContact O-CG 3.45Å; E167-R171 PolarHBondContact O-N 3.13Å; E167-R171 IonicContact OE1-CZ 3.15Å; E167-R171 IonicContact OE1-NE 3.97Å; E167-R171 PolarHBondContact OE1-NE 3.03Å; E167-R171 IonicContact OE1-NH2 2.64Å; E167-R171 PolarHBondContact OE1-NH2 3.02Å
168A94.3Very high92.8Very high53 Ų53114.9 Ų114.944%0.43854%0.535SS..Hα-helixtrans-62.9-37.8174.700000112.1E164 H165 R172E164-A168 VanDerWaalsContact O-CB 3.32Å; E164-A168 WeakPolarHBondContact O-CB 3.08Å; E164-A168 PolarHBondContact O-N 3.45Å; H165-A168 PolarHBondContact O-N 3.25Å; A168-R172 WeakPolarHBondContact O-CB 3.48Å; A168-R172 PolarHBondContact O-N 3.34Å
169V96.7Very high92.6Very high64 Ų64115.4 Ų115.439%0.38853%0.533SS..Hα-helixtrans-64.6-42.2171.8168.20000111.2H165 Y166 E167 T173H165-V169 WeakPolarHBondContact O-CG2 3.33Å; H165-V169 PolarHBondContact O-N 2.87Å; Y166-V169 PolarHBondContact O-N 3.13Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 3.32Å; V169-T173 WeakPolarHBondContact O-CB 3.36Å; V169-T173 PolarHBondContact O-N 3.36Å; V169-T173 PolarHBondContact O-OG1 2.83Å
170M95.9Very high92.6Very high85 Ų85114 Ų11442%0.41953%0.532SS..Hα-helixtrans-64.2-48.7175.5-71.8-63.5-6900111.8Y166 E167 R172 T173 L174Y166-M170 HydrophobicContact CD1-CG 4.37Å; Y166-M170 HydrophobicContact CE1-CG 3.89Å; Y166-M170 HydrophobicContact CE2-CG 4.27Å; Y166-M170 HydrophobicContact CE2-SD 4.48Å; Y166-M170 WeakPolarHBondContact O-CG 3.43Å; Y166-M170 PolarHBondContact O-N 3.48Å; E167-M170 PolarHBondContact O-N 3.05Å; E167-M170 VanDerWaalsContact O-N 3.17Å; M170-R172 PolarHBondContact O-N 2.9Å; M170-T173 PolarHBondContact O-N 3.38Å; M170-T173 VanDerWaalsContact O-N 3.11Å; M170-L174 WeakPolarHBondContact O-CG 3.28Å; M170-L174 PolarHBondContact O-N 3.49Å
171R94Very high92.3Very high169 Ų169114.4 Ų114.464%0.63853%0.534SS*.Hα-helixtrans-57.4-47.8175.2-71.4178.2-178.3-143.77.5111.5E167 T173 L174 E175E167-R171 HydrophobicContact CG-CG 4.5Å; E167-R171 WeakPolarHBondContact O-CB 3.47Å; E167-R171 WeakPolarHBondContact O-CG 3.45Å; E167-R171 PolarHBondContact O-N 3.13Å; E167-R171 IonicContact OE1-CZ 3.15Å; E167-R171 IonicContact OE1-NE 3.97Å; E167-R171 PolarHBondContact OE1-NE 3.03Å; E167-R171 IonicContact OE1-NH2 2.64Å; E167-R171 PolarHBondContact OE1-NH2 3.02Å; R171-T173 VanDerWaalsContact C-N 3.29Å; R171-T173 PolarHBondContact O-N 3.34Å; R171-L174 PolarHBondContact O-N 2.89Å; R171-E175 WeakPolarHBondContact O-CB 3.23Å; R171-E175 PolarHBondContact O-N 3.42Å
172R95.7Very high91.7Very high189 Ų189115 Ų11571%0.71354%0.537SS*.Hα-helixtrans-61.1-34.4175.1175.7-178.4-99.3179.7-4.8112.6A168 M170 R176A168-R172 WeakPolarHBondContact O-CB 3.48Å; A168-R172 PolarHBondContact O-N 3.34Å; M170-R172 PolarHBondContact O-N 2.9Å; R172-R176 VanDerWaalsContact O-CB 3.31Å; R172-R176 WeakPolarHBondContact O-CB 3.42Å; R172-R176 PolarHBondContact O-N 3.45Å
173T93.6Very high90.9Very high82 Ų82117.3 Ų117.350%0.50354%0.54SS..Hα-helixtrans-72.8-43.6178.8-59.10000111.2V169 M170 R171 R176 S177V169-T173 WeakPolarHBondContact O-CB 3.36Å; V169-T173 PolarHBondContact O-N 3.36Å; V169-T173 PolarHBondContact O-OG1 2.83Å; M170-T173 PolarHBondContact O-N 3.38Å; M170-T173 VanDerWaalsContact O-N 3.11Å; R171-T173 VanDerWaalsContact C-N 3.29Å; R171-T173 PolarHBondContact O-N 3.34Å; T173-R176 PolarHBondContact O-N 2.89Å; T173-S177 PolarHBondContact O-N 2.85Å
174L91.8Very high89.8Confident104 Ų104117.1 Ų117.155%0.54554%0.541SS..Hα-helixtrans-60.8-45.5172.3-69.7168.8000111.5M170 R171 R176 S177 Q178M170-L174 WeakPolarHBondContact O-CG 3.28Å; M170-L174 PolarHBondContact O-N 3.49Å; R171-L174 PolarHBondContact O-N 2.89Å; L174-R176 PolarHBondContact O-N 3.21Å; L174-S177 WeakPolarHBondContact O-CB 3.4Å; L174-S177 PolarHBondContact O-N 3.34Å; L174-S177 VanDerWaalsContact O-N 3.15Å; L174-Q178 WeakPolarHBondContact O-CG 3.18Å; L174-Q178 PolarHBondContact O-N 2.84Å
175E92.3Very high88.7Confident87 Ų87117.3 Ų117.341%0.40754%0.54SS..Hα-helixtrans-61.1-43.6175.8-166.2-160.2-17800111.8R171 S177 Q178 R179R171-E175 WeakPolarHBondContact O-CB 3.23Å; R171-E175 PolarHBondContact O-N 3.42Å; E175-S177 VanDerWaalsContact C-N 3.29Å; E175-S177 PolarHBondContact O-N 3.24Å; E175-Q178 PolarHBondContact O-N 2.98Å; E175-R179 WeakPolarHBondContact O-CB 3.5Å; E175-R179 VanDerWaalsContact O-CG 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.47Å; E175-R179 PolarHBondContact O-N 3.2Å; E175-R179 IonicContact OE1-CZ 2.67Å; E175-R179 IonicContact OE1-NE 2.59Å; E175-R179 PolarHBondContact OE1-NE 3.27Å; E175-R179 IonicContact OE1-NH2 3.18Å; E175-R179 PolarHBondContact OE1-NH2 3.27Å; E175-R179 IonicContact OE2-NH2 3.67Å
176R93.1Very high87Confident189 Ų189120.2 Ų120.271%0.71355%0.545SS*.Hα-helixtrans-60.1-40.3174.5-176.7176.7179.21710.4111.3R172 T173 L174 R179 V180R172-R176 VanDerWaalsContact O-CB 3.31Å; R172-R176 WeakPolarHBondContact O-CB 3.42Å; R172-R176 PolarHBondContact O-N 3.45Å; T173-R176 PolarHBondContact O-N 2.89Å; L174-R176 PolarHBondContact O-N 3.21Å; R176-R179 PolarHBondContact O-N 2.58Å; R176-V180 VanDerWaalsContact O-CG2 3.3Å; R176-V180 WeakPolarHBondContact O-CG2 3.41Å; R176-V180 PolarHBondContact O-N 2.96Å
177S91.5Very high85.1Confident75 Ų75122.8 Ų122.852%0.52455%0.554SS.*Hα-helixtrans-62.3-49.9175.9-159.10000111.4T173 L174 E175 R179 V180 E181T173-S177 PolarHBondContact O-N 2.85Å; L174-S177 WeakPolarHBondContact O-CB 3.4Å; L174-S177 PolarHBondContact O-N 3.34Å; L174-S177 VanDerWaalsContact O-N 3.15Å; E175-S177 VanDerWaalsContact C-N 3.29Å; E175-S177 PolarHBondContact O-N 3.24Å; S177-R179 VanDerWaalsContact C-N 3.35Å; S177-R179 PolarHBondContact O-N 3.14Å; S177-V180 WeakPolarHBondContact O-CB 3.38Å; S177-V180 PolarHBondContact O-N 2.85Å; S177-V180 VanDerWaalsContact O-N 3.08Å; S177-E181 PolarHBondContact O-N 3.03Å
178Q89Confident83.4Confident114 Ų114123.2 Ų123.253%0.53357%0.566SS.*Hα-helixtrans-59.9-41.7176.9-68.217729.900112.3L174 E175 V180 E181 Q182L174-Q178 WeakPolarHBondContact O-CG 3.18Å; L174-Q178 PolarHBondContact O-N 2.84Å; E175-Q178 PolarHBondContact O-N 2.98Å; Q178-V180 VanDerWaalsContact C-N 3.31Å; Q178-V180 PolarHBondContact O-N 3.1Å; Q178-E181 PolarHBondContact O-N 3.28Å; Q178-Q182 WeakPolarHBondContact O-CB 3.22Å; Q178-Q182 VanDerWaalsContact O-CG 3.32Å; Q178-Q182 WeakPolarHBondContact O-CG 3.44Å; Q178-Q182 PolarHBondContact O-N 2.84Å
179R86.6Confident81.4Confident147 Ų147131.8 Ų131.856%0.55559%0.587SS**Hα-helixtrans-65-30.8175.4-72174.1178.3-141.46.4112.8E175 R176 S177 R183E175-R179 WeakPolarHBondContact O-CB 3.5Å; E175-R179 VanDerWaalsContact O-CG 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.47Å; E175-R179 PolarHBondContact O-N 3.2Å; E175-R179 IonicContact OE1-CZ 2.67Å; E175-R179 IonicContact OE1-NE 2.59Å; E175-R179 PolarHBondContact OE1-NE 3.27Å; E175-R179 IonicContact OE1-NH2 3.18Å; E175-R179 PolarHBondContact OE1-NH2 3.27Å; E175-R179 IonicContact OE2-NH2 3.67Å; R176-R179 PolarHBondContact O-N 2.58Å; S177-R179 VanDerWaalsContact C-N 3.35Å; S177-R179 PolarHBondContact O-N 3.14Å; R179-R183 WeakPolarHBondContact O-CB 3.32Å; R179-R183 WeakPolarHBondContact O-CG 3.28Å; R179-R183 PolarHBondContact O-N 3.47Å; R179-R183 VanDerWaalsContact O-N 3.17Å
180V83.9Confident79.4Confident85 Ų85132.5 Ų132.552%0.51561%0.608SS.*Hα-helixtrans-71.7-45.5173168.40000110.4R176 S177 Q178 Q182 R183 Q184R176-V180 VanDerWaalsContact O-CG2 3.3Å; R176-V180 WeakPolarHBondContact O-CG2 3.41Å; R176-V180 PolarHBondContact O-N 2.96Å; S177-V180 WeakPolarHBondContact O-CB 3.38Å; S177-V180 PolarHBondContact O-N 2.85Å; S177-V180 VanDerWaalsContact O-N 3.08Å; Q178-V180 VanDerWaalsContact C-N 3.31Å; Q178-V180 PolarHBondContact O-N 3.1Å; V180-Q182 PolarHBondContact O-N 2.6Å; V180-R183 WeakPolarHBondContact O-CB 3.46Å; V180-R183 PolarHBondContact O-N 2.81Å; V180-R183 VanDerWaalsContact O-N 3.14Å; V180-Q184 PolarHBondContact O-N 3.34Å
181E82.6Confident77.1Confident91 Ų91131.4 Ų131.443%0.42562%0.618SS.*Hα-helixtrans-64.3-40.8178.5-161.9-168.4135.700112.3S177 Q178 R183 Q184 K185S177-E181 PolarHBondContact O-N 3.03Å; Q178-E181 PolarHBondContact O-N 3.28Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 2.88Å; E181-Q184 WeakPolarHBondContact O-CB 3.39Å; E181-Q184 PolarHBondContact O-N 2.83Å; E181-K185 HydrophobicContact CG-CD 4.49Å; E181-K185 WeakPolarHBondContact O-CB 3.32Å; E181-K185 WeakPolarHBondContact O-CG 3.23Å; E181-K185 PolarHBondContact O-N 3.22Å; E181-K185 WeakPolarHBondContact OE1-CE 3.27Å; E181-K185 IonicContact OE1-NZ 3.15Å; E181-K185 PolarHBondContact OE1-NZ 3.04Å
182Q79.6Confident74.9Confident130 Ų130131.6 Ų131.661%0.60763%0.631SS**Hα-helixtrans-62.6-38.3171.4-73.9177.15.100112.2Q178 V180 K185 R186Q178-Q182 WeakPolarHBondContact O-CB 3.22Å; Q178-Q182 VanDerWaalsContact O-CG 3.32Å; Q178-Q182 WeakPolarHBondContact O-CG 3.44Å; Q178-Q182 PolarHBondContact O-N 2.84Å; V180-Q182 PolarHBondContact O-N 2.6Å; Q182-K185 PolarHBondContact O-N 3.27Å; Q182-R186 PolarHBondContact O-N 3.32Å
183R76.3Confident72.3Confident177 Ų177128.9 Ų128.967%0.66864%0.641SS**Hα-helixtrans-66.4-38.9173.6-83.1178.3169.7-116.8-1.1112.1R179 V180 E181 R186 W187R179-R183 WeakPolarHBondContact O-CB 3.32Å; R179-R183 WeakPolarHBondContact O-CG 3.28Å; R179-R183 PolarHBondContact O-N 3.47Å; R179-R183 VanDerWaalsContact O-N 3.17Å; V180-R183 WeakPolarHBondContact O-CB 3.46Å; V180-R183 PolarHBondContact O-N 2.81Å; V180-R183 VanDerWaalsContact O-N 3.14Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 2.88Å; R183-R186 PolarHBondContact O-N 2.85Å; R183-W187 PolarHBondContact O-N 2.61Å
184Q71.8Confident70Confident135 Ų135128.1 Ų128.163%0.63165%0.649SS**Hα-helixtrans-61.8-47.2173.6-173.1174.9-5.100110.8V180 E181 R186 W187 S188V180-Q184 PolarHBondContact O-N 3.34Å; E181-Q184 WeakPolarHBondContact O-CB 3.39Å; E181-Q184 PolarHBondContact O-N 2.83Å; Q184-R186 PolarHBondContact O-N 3.48Å; Q184-W187 PolarHBondContact O-N 3.2Å; Q184-S188 PolarHBondContact O-N 3.27Å; Q184-S188 PolarHBondContact O-OG 3.46Å
185K70.6Confident67.4Low129 Ų129131.5 Ų131.556%0.56167%0.668SS**Hα-helixtrans-62.8-18.5174.1-72.6168.1171.7172.40114.2E181 Q182 S188E181-K185 HydrophobicContact CG-CD 4.49Å; E181-K185 WeakPolarHBondContact O-CB 3.32Å; E181-K185 WeakPolarHBondContact O-CG 3.23Å; E181-K185 PolarHBondContact O-N 3.22Å; E181-K185 WeakPolarHBondContact OE1-CE 3.27Å; E181-K185 IonicContact OE1-NZ 3.15Å; E181-K185 PolarHBondContact OE1-NZ 3.04Å; Q182-K185 PolarHBondContact O-N 3.27Å; K185-S188 WeakPolarHBondContact CA-OG 3.41Å; K185-S188 PolarHBondContact O-OG 3.13Å
186R59Low65Low193 Ų193135.5 Ų135.573%0.72869%0.686SS**Hα-helixtrans-90.4-22.4171.8-168.6178.5178.3-77.50.8113.5Q182 R183 Q184Q182-R186 PolarHBondContact O-N 3.32Å; R183-R186 PolarHBondContact O-N 2.85Å; Q184-R186 PolarHBondContact O-N 3.48Å
187W54.9Low62.6Low202 Ų202134 Ų13477%0.76569%0.693SS**Hα-helixtrans-92.9-16.1174.7-84.9-22.4000113.6R183 Q184 W189 G190R183-W187 PolarHBondContact O-N 2.61Å; Q184-W187 PolarHBondContact O-N 3.2Å; W187-W189 PolarHBondContact O-N 3.43Å; W187-G190 PolarHBondContact O-N 2.76Å; W187-G190 VanDerWaalsContact O-N 3.07Å
188S58.3Low60.1Low88 Ų88134.2 Ų134.262%0.61571%0.707SS**THydrogen-bonded Turntrans-69.610.7174.857.90000115.6Q184 K185Q184-S188 PolarHBondContact O-N 3.27Å; Q184-S188 PolarHBondContact O-OG 3.46Å; K185-S188 WeakPolarHBondContact CA-OG 3.41Å; K185-S188 PolarHBondContact O-OG 3.13Å
189W52.7Low57.9Low233 Ų233140.8 Ų140.888%0.88373%0.727SS**THydrogen-bonded Turntrans-99.60167.8-74.492.6000112.9W187 G191W187-W189 PolarHBondContact O-N 3.43Å; W189-G191 PolarHBondContact O-N 2.95Å
190G53.7Low55.7Low79 Ų79139 Ų13981%0.81474%0.743SS**SBendtrans-92.832.9-174.300000116W187W187-G190 PolarHBondContact O-N 2.76Å; W187-G190 VanDerWaalsContact O-N 3.07Å
191G47.5Very low53.5Low62 Ų62138.6 Ų138.664%0.63976%0.756SS**SBendtrans155.8101.2173.100000114.9W189W189-G191 PolarHBondContact O-N 2.95Å
192L47.7Very low51.2Low172 Ų172141.8 Ų141.890%0.90178%0.776SS**  trans179.484.3144.3-100.9168.6000108.6
193S42.4Very low49.4Very low133 Ų133140.2 Ų140.293%0.9378%0.78SS**  trans-159.6112168-69.50000107.5
194G44.6Very low47.3Very low65 Ų65139.7 Ų139.767%0.6779%0.79SS**  cis174.3141.7-10.700000109.4
195D36.8Very low45.8Very low175 Ų175136.9 Ų136.994%0.93679%0.79SS**  trans-159.6125.4167.3-103.5-36.5000110.1
196Q43.4Very low44.1Very low171 Ų171136.1 Ų136.180%0.79980%0.801SS**  trans-154.6141.8165.5178.916194.200108.1
197D42.8Very low43Very low159 Ų159134.6 Ų134.685%0.8581%0.806SS**  trans68.4131.4176.9-61.2-33.2000118.7
198G39.2Very low42.2Very low79 Ų79129.5 Ų129.581%0.81480%0.801SS**  trans166.7111.4176.700000110.3
199R42.5Very low41.3Very low252 Ų252130.1 Ų130.195%0.95181%0.805SS**  trans-91.1161.6177.1-77-175.6176.2-94.20.8111.3
200A40.7Very low41.5Very low110 Ų110124.3 Ų124.391%0.90980%0.797SS**  trans-53.2148.2175.700000113.5
201G37.6Very low40.6Very low76 Ų76126.8 Ų126.878%0.78480%0.796SS**  trans179.177.1177.300000115.4
202D33.9Very low40.1Very low158 Ų158127.4 Ų127.485%0.84580%0.795SS**  trans59-161.1152.9-137.8-27.7000118.7
203S40.8Very low39.7Very low97 Ų97126.8 Ų126.868%0.67879%0.791SS**  trans-130167.2-144.1-48.10000115.6
204D33Very low39.3Very low165 Ų165125.9 Ų125.988%0.88278%0.78SS**  trans88.5154.9146.4-139.4-8.1000120.9
205A39.2Very low38.9Very low77 Ų77129 Ų12964%0.63679%0.785SS**  trans58.686.9152.100000123
206S35.2Very low38.7Very low112 Ų112126.2 Ų126.278%0.78378%0.78SS**  71.8168.1111.8-153.90000122
207I36.8Very low38.7Very low162 Ų162123.5 Ų123.583%0.83178%0.78SS**  trans69.4130.5169-49.6161000114.2
208S37.9Very low38.9Very low95 Ų95121.4 Ų121.466%0.66478%0.775SS**  cis-155.8135.3-9-178.30000105.5
209S38.9Very low38.7Very low101 Ų101123 Ų12371%0.70677%0.774SS**  60.514062-157.20000114.2
210P57.1Low39.2Very low110 Ų110116.3 Ų116.371%0.71476%0.763SS**  cis-139.6-168.7-41.441.1-25.5000113
211V35.8Very low39Very low132 Ų132120.4 Ų120.480%0.876%0.763SS**  trans152.793.8147.4160.20000106.3
212A35.8Very low39.4Very low74 Ų74125.6 Ų125.661%0.61276%0.764SS**  59110.865.400000111.8
213I40.4Very low40.5Very low160 Ų160123.5 Ų123.582%0.82176%0.759SS**  -154.6119.480.9-80.6147.3000106.9
214V33.9Very low41.1Very low114 Ų114124 Ų12469%0.69176%0.76SS**  63.980.872.2-178.20000111.5
215V35.7Very low41.1Very low129 Ų129126.9 Ų126.978%0.78276%0.758SS**  66.8120.295.9171.80000114.5
216S33.1Very low40.8Very low118 Ų118129 Ų12983%0.82577%0.769SS**  trans-165.5114.3141.1-86.20000113.1
217S41.7Very low40.9Very low114 Ų114127.6 Ų127.680%0.79777%0.772SS**  trans-117.8152.7141-56.60000105.6
218P47.5Very low40.7Very low115 Ų115129.4 Ų129.475%0.74778%0.776SS**  -157.5175.6108.140.5-22.9000117.1
219S36.2Very low40.7Very low113 Ų113128.6 Ų128.679%0.7978%0.776SS**  trans87.7152.3142.4-76.10000121.3
220P51.9Low40.8Very low111 Ų111131.3 Ų131.372%0.72178%0.782SS**  trans-139.9176.9-143.343-24.4000116.5
221E35.7Very low40.1Very low195 Ų195136.1 Ų136.191%0.91179%0.792SS**  trans-147173.1153.8-127171-177.800113
222K46.1Very low40.4Very low185 Ų185142 Ų14280%0.80480%0.8SS**  trans-155.2174.6-162.1-79.3-179.5-179.6173.40109.6
223P57.3Low40.5Very low115 Ų115144 Ų14475%0.74781%0.81SS**  cis-125.5-148.7-41.838.3-18.6000107.7
224P53.3Low40.4Very low106 Ų106143.6 Ų143.669%0.68882%0.815SS**  cis-138.8-179.9-7.541.7-22.5000117.9
225R33Very low40.4Very low226 Ų226143 Ų14385%0.85382%0.816SS**  trans93.596.5157.7-64.7-175.3-177.9172.72.5120
226S33.8Very low40.5Very low122 Ų122142.8 Ų142.885%0.85382%0.815SS**  63.9129.7127.163.50000121.6
227G36.7Very low40.8Very low82 Ų82142.3 Ų142.385%0.84581%0.807SS**  trans134.997158.200000113.1
228Q33.3Very low40.8Very low200 Ų200143.3 Ų143.394%0.93580%0.804SS**  trans-81.2143.3173.6-170.217617.100110.6
229A38Very low40.1Very low78 Ų78144.7 Ų144.765%0.64580%0.804SS**  trans-74156.9-176.200000114.7
230D41.2Very low40.1Very low159 Ų159149.1 Ų149.185%0.8581%0.809SS**  trans46.692.1153.9-67.7-56.6000119.7
231K42.7Very low39.4Very low210 Ų210151.9 Ų151.991%0.91381%0.812SS**  trans-128.1135.5142.3-72.1-171.6179.9175.40111.4S233K231-S233 PolarHBondContact O-N 3.2Å
232R41.4Very low40.4Very low255 Ų255147.2 Ų147.296%0.96280%0.799SS**  trans-56121.8-176.3-62.6162.5170.7-126.8-2.2112.3
233S38.3Very low40.7Very low118 Ų118143.7 Ų143.783%0.82580%0.795SS**  trans-165.3114.3151.4-133.30000110.7K231K231-S233 PolarHBondContact O-N 3.2Å
234T38Very low39.5Very low151 Ų151146.3 Ų146.393%0.92680%0.797SS**  trans-127.194.1176.452.80000110
235S34.1Very low38.7Very low102 Ų102145.3 Ų145.371%0.71380%0.797SS**  trans-128.7166.2163.1-175.10000107.6
236T37.8Very low38.8Very low123 Ų123137.9 Ų137.976%0.75579%0.792SS**  trans70.9148.3-179.278.90000115.5
237T39Very low39.2Very low108 Ų108140 Ų14066%0.66379%0.791SS**  cis-169179.1-29.935.50000107.8
238N42Very low39.1Very low136 Ų136141.1 Ų141.173%0.72779%0.786SS**  trans77.9144.1150.1-64.3-18.9000117.9
239L32.3Very low39.8Very low144 Ų144140.7 Ų140.775%0.75478%0.782SS**  cis-162.9141.1-15-157.678000112
240K36.3Very low40Very low205 Ų205147 Ų14789%0.89179%0.789SS**  trans-163.2141.5143.5-133.875.6176.9-173.20111.8
241Q37.7Very low39.8Very low170 Ų170146.3 Ų146.379%0.79478%0.784SS**  trans-166.4-178.3-177.8-111.4-163.60.400108.4
242P55.7Low39.4Very low97 Ų97141.5 Ų141.563%0.6378%0.777SS**  cis-89.1-136.7-3.243-38.7000109.6E244P242-E244 HydrophobicContact CB-CG 4.29Å
243P52.2Low39.1Very low111 Ų111134.4 Ų134.472%0.72177%0.766SS**  cis-62.6172.1-5.7-2538.4000115.3
244E32.7Very low38.9Very low170 Ų170134 Ų13479%0.79476%0.763SS**  cis78119.517.9-63.1-74.7117.300116.5P242P242-E244 HydrophobicContact CB-CG 4.29Å
245A37.2Very low38.6Very low84 Ų84132.6 Ų132.669%0.69476%0.76SS**  cis-159.7156.1-4.400000113.8
246G34.2Very low38.6Very low71 Ų71131.3 Ų131.373%0.73276%0.756SS**  trans78149.4150.800000119.5
247I42.5Very low38.6Very low165 Ų165131.8 Ų131.885%0.84676%0.758SS**  cis-154.7159.7-3.944.5172.4000111.2
248S35Very low38.2Very low106 Ų106134.4 Ų134.474%0.74177%0.768SS**  trans28.1120.1157.1-60.70000121.4
249K47Very low37.8Very low192 Ų192131.8 Ų131.884%0.83577%0.772SS**  89.3109.754.5-80.8-175.5176175.30116.8
250R43.8Very low37.8Very low211 Ų211134.6 Ų134.680%0.79678%0.778SS**  trans81.3152.7145.6-57.7169.969.5-143.55.6120.4
251L36.1Very low37.5Very low144 Ų144129.7 Ų129.775%0.75477%0.77SS**  trans72.6159.4165.2-52.1-169.5000116
252S33.4Very low37.6Very low109 Ų109127 Ų12776%0.76277%0.767SS**  cis-164.2173.9-36.1-166.90000108.4
253S35.8Very low36.3Very low105 Ų105129.4 Ų129.473%0.73478%0.775SS**  trans-64.4149.4-169.8-44.60000117.4
254S33.3Very low36.1Very low109 Ų109133 Ų13376%0.76278%0.779SS**  trans88.2135.6142.6-56.20000121.8
255S33Very low36.2Very low123 Ų123130 Ų13086%0.8678%0.777SS**  trans69.4142.8148.3-66.90000118.7
256A34.3Very low36.2Very low75 Ų75132.2 Ų132.262%0.6278%0.782SS**  cis-162.5157.95.900000113.9
257T36.2Very low36.2Very low132 Ų132140.1 Ų140.181%0.8179%0.789SS**  trans66.3155.1147.451.90000123
258L32.1Very low36.1Very low164 Ų164137.5 Ų137.586%0.85978%0.783SS**  trans71.9101.7162.6-69.7166000119.1
259G33.5Very low35.9Very low80 Ų80144.1 Ų144.183%0.82579%0.792SS**  trans-167101.216400000111.2
260K31Very low35.3Very low204 Ų204141 Ų14189%0.88779%0.794SS**  trans-89.8101.4-175.6-61.7169.2-176.81720111.3
261S31.8Very low34.6Very low101 Ų101136.2 Ų136.271%0.70679%0.793SS**  trans-173.9128.7151.2-170.10000112.2D263S261-D263 PolarHBondContact O-N 3.3Å
262P38.3Very low34.4Very low115 Ų115133.5 Ų133.575%0.74779%0.786SS**  trans-89.186.4168.434.6-30.7000111.1
263D28.8Very low34.3Very low147 Ų147134.7 Ų134.779%0.78679%0.793SS**  trans-69137.6169.4-162.6-16.9000110.6S261S261-D263 PolarHBondContact O-N 3.3Å
264K48.2Very low34.6Very low185 Ų185136.7 Ų136.780%0.80480%0.796SS**  trans-142.798.6-179.3-72.3-168.4177.7-176.40110.3V266K264-V266 PolarHBondContact O-N 3.17Å
265S34.1Very low34.7Very low108 Ų108143 Ų14376%0.75580%0.802SS**  trans-76.7117-176.156.10000114.1
266V37.6Very low34.9Very low131 Ų131145 Ų14579%0.79480%0.803SS**  trans57.4111.5140.3-172.80000119K264K264-V266 PolarHBondContact O-N 3.17Å
267R35.4Very low35.1Very low236 Ų236146.8 Ų146.889%0.89181%0.808SS**  trans-131.6158.3133.3-106.2-165.2170.4-127.4-1.9110.3
268P38.4Very low34.8Very low110 Ų110146.1 Ų146.171%0.71481%0.809SS**PPolyproline II helixtrans-80.5149.2-156.631.2-36.7000114
269R32.5Very low34.8Very low245 Ų245145.8 Ų145.893%0.92581%0.808SS**PPolyproline II helixtrans-91.2124.6158.6-81.9-174.4164.892.1-1.2109.5
270S32.7Very low34.8Very low126 Ų126145.6 Ų145.688%0.88181%0.806SS**PPolyproline II helixtrans-63.1140.6164.1-52.10000110
271S30.4Very low34.9Very low112 Ų112142.7 Ų142.778%0.78381%0.806SS**  trans-105.415517453.40000111.4
272S32.6Very low34.8Very low87 Ų87142.6 Ų142.661%0.60881%0.811SS**  trans61.682.5166.3-159.60000117.9
273C29.6Very low34.6Very low134 Ų134142 Ų14291%0.90582%0.816SS**  trans-10187.2137.5-82.80000108.2R275C273-R275 PolarHBondContact O-N 3.43Å; C273-R275 VanDerWaalsContact O-N 3.09Å
274N42.3Very low34.7Very low147 Ų147143.9 Ų143.979%0.78682%0.82SS**  trans-69.6103.2172.3-78.2-15.7000109.9
275R35.3Very low33.7Very low240 Ų240140.2 Ų140.291%0.90682%0.824SS**PPolyproline II helixtrans-69.5139.8156.5-75.7-171.7172.4-148.4-0.7108.7C273C273-R275 PolarHBondContact O-N 3.43Å; C273-R275 VanDerWaalsContact O-N 3.09Å
276L37.5Very low33.5Very low166 Ų166140 Ų14087%0.86982%0.822SS**PPolyproline II helixtrans-69.9143.3170-66.1172.5000110.2
277P38Very low33.2Very low113 Ų113143.3 Ų143.373%0.73483%0.825SS**PPolyproline II helixtrans-80.9127.3173.831.9-32.4000111.1
278S30.9Very low32.8Very low117 Ų117135.2 Ų135.282%0.81882%0.815SS**PPolyproline II helixtrans-90.9118.8157.354.50000108.4G280S278-G280 PolarHBondContact O-N 2.85Å
279N32.4Very low32.5Very low157 Ų157138 Ų13884%0.8482%0.824SS**PPolyproline II helixtrans-67.2126.8177.5-68.6-30.8000110.5
280G32.3Very low32.4Very low77 Ų77130 Ų13079%0.79482%0.817SS**  trans-114.7111.7164.700000109.1S278S278-G280 PolarHBondContact O-N 2.85Å
281T33.3Very low32.5Very low142 Ų142133.5 Ų133.587%0.87182%0.817SS**  trans-80.5146.6-179.5-31.50000110.6
282A30.7Very low32.6Very low100 Ų100136 Ų13683%0.82682%0.816SS**  trans-69.8145.5-173.500000114.3
283A33Very low32.6Very low101 Ų101138.7 Ų138.784%0.83582%0.823SS**  trans-147.3146.3141.400000109.5
284Q30.7Very low32.5Very low188 Ų188141.5 Ų141.588%0.87982%0.823SS**  trans-84.5151.3-174.6-59.7170.9200111.7
285A29Very low31.8Very low107 Ų107140.9 Ų140.988%0.88482%0.824SS**  trans-127.3136.4155.500000108.1
286C30Very low31.6Very low105 Ų105136.3 Ų136.371%0.70981%0.813SS**  trans-14696.9-170-163.40000112.9
287K30.8Very low31.3Very low199 Ų199136.3 Ų136.387%0.86581%0.809SS**  trans61.9148.2164.2-52.6-175.9-179.1-171.80116.6
288G27.5Very low30.8Very low67 Ų67137.4 Ų137.469%0.69181%0.813SS**  cis-160.1-165.3-700000106.7
289D31.2Very low30.9Very low168 Ų168135 Ų13590%0.89881%0.807SS**  cis-158.5134.3-12.7-92.2-60000105.4
290G30.3Very low31Very low76 Ų76139 Ų13978%0.78481%0.811SS**  trans-171.845.6-163.200000120.9
291K34.4Very low30.9Very low200 Ų200140.1 Ų140.187%0.8781%0.806SS**  trans23.8131.6149.3-62.2-176.7179.4176.30122
292Q32.5Very low30.9Very low164 Ų164140.5 Ų140.577%0.76681%0.808SS**  trans97.4121.9151.6-57.6-85.319.400120
293L32.6Very low31.1Very low145 Ų145145.5 Ų145.576%0.75981%0.811SS**  trans19.6122.8144-50.7175.3000118.7
294Q27.8Very low31.2Very low192 Ų192150.8 Ų150.890%0.89782%0.815SS**  cis61.9113.244.4-76.4-161.2-15.500117.9
295V28.1Very low32Very low135 Ų135153.2 Ų153.282%0.81882%0.816SS**  trans-155.9139.2141.2122.20000109.2
296E30Very low32.4Very low144 Ų144153.3 Ų153.367%0.67381%0.811SS**  trans49.4123.9163.8-57.9-89.755.400119.5
297Q31.8Very low32.7Very low165 Ų165153.4 Ų153.477%0.77181%0.812SS**  57.5130.781-61.6-155.296.200113.9
298T28.3Very low33.2Very low136 Ų136148.9 Ų148.983%0.83481%0.806SS**  cis-155.7161.719.4-48.60000109
299G31.8Very low33.6Very low67 Ų67152.6 Ų152.669%0.69181%0.809SS**  cis171.2-142.4-2.500000113.2
300R34.3Very low33.7Very low241 Ų241151.2 Ų151.291%0.90981%0.807SS**  trans6.3120.9167.2-69.7-177.3176.6-151.40.2119.4
301S31.4Very low34.1Very low100 Ų100157.7 Ų157.770%0.69981%0.808SS**  cis98.2125.245.273.80000115.8
302V31.9Very low34Very low150 Ų150154.7 Ų154.791%0.90981%0.806SS**  trans-132.7153166.8-82.30000111.6
303K35.6Very low34.1Very low205 Ų205152 Ų15289%0.89181%0.805SS**  trans-140.6145.6-179.7-71.7175.9179170.40111.1
304K36.1Very low34.3Very low213 Ų213151.7 Ų151.793%0.92681%0.809SS**  trans-101.4163.4170.6-75.4-170.5173.9-175.40111.9
305R47Very low34.6Very low238 Ų238148.2 Ų148.290%0.89881%0.806SS**  trans-85.8153.4-163.5-71.7162.566.1173-0.9115.2
306S36.8Very low35Very low110 Ų110153.4 Ų153.477%0.76981%0.811SS**  trans-155.5138.6155.6-41.80000106.1
307S37.5Very low35.1Very low106 Ų106151 Ų15174%0.74182%0.815SS**  cis67.8135.514.878.10000117
308S40.3Very low35.2Very low105 Ų105152.5 Ų152.573%0.73482%0.823SS**  cis-159149.1-20.6-86.50000109.7
309L36.1Very low35.5Very low144 Ų144152.5 Ų152.575%0.75482%0.823SS**  162.9134.8129.4-115.270.7000112.9
310T33.6Very low36.1Very low139 Ų139155.5 Ų155.585%0.85383%0.83SS**  trans-140.4136.8138.8-60.10000106.6
311R38.3Very low36Very low213 Ų213148.9 Ų148.980%0.80483%0.827SS**PPolyproline II helixtrans-95.1141.9177.6-85.2-173.1165.8-167.6-4.7111.4
312V32.1Very low36.4Very low137 Ų137153.7 Ų153.783%0.8384%0.835SS**PPolyproline II helixtrans-83.2146.5-179.2171.80000111.4
313S34.6Very low37.1Very low106 Ų106152.6 Ų152.674%0.74183%0.831SS**PPolyproline II helixtrans-85.1133.9169.652.50000111.6
314V36.5Very low36.9Very low139 Ų139150.9 Ų150.984%0.84283%0.826SS**PPolyproline II helixtrans-79131.5-178.8178.90000111.9
315S35Very low36.7Very low120 Ų120150.2 Ų150.284%0.83982%0.823SS**  trans-136.6121.8160.8-69.30000108.8
316R35.2Very low35.9Very low243 Ų243141.7 Ų141.792%0.91781%0.809SS**  trans-100.1142.5179.1-165179.2-168.3-1743.9110.1
317A32.8Very low35.7Very low93 Ų93142.9 Ų142.977%0.76981%0.812SS**  trans-71.2163.5178.400000113.4
318Q34.5Very low35.5Very low197 Ų197143.2 Ų143.292%0.92181%0.81SS**  trans-128.5149.6158.7-73.4-1710.500109.8
319T33.8Very low35.2Very low136 Ų136145.3 Ų145.383%0.83481%0.813SS**  trans-95.2160.7176.941.50000111.5
320P45Very low35.1Very low131 Ų131145 Ų14585%0.85181%0.812SS**  trans-87.4153.9-177.634.7-35.3000113.6
321A31.5Very low35.1Very low102 Ų102147.9 Ų147.984%0.84382%0.816SS**  trans-136.1156.6168.600000111.1
322K39.8Very low34.9Very low201 Ų201142 Ų14287%0.87481%0.812SS**  trans-85.6176.5-176.7-59.9178.5-179176.50112.4
323P47.6Very low35.1Very low126 Ų126147.5 Ų147.582%0.81882%0.819SS**  -142.1154.3105.637.6-25.1000117.1
324E30.3Very low35.1Very low169 Ų169152 Ų15279%0.7983%0.825SS**  trans9.1142.6145.2-76.1-63.4114.100120.7
325K31.9Very low35.7Very low199 Ų199151.1 Ų151.187%0.86582%0.822SS**  -175.3148.157.8-172.8170.5-178.9172.60111.7
326G30.1Very low36.5Very low59 Ų59151.1 Ų151.161%0.60882%0.819SS**  trans-154.5-18.1-169.100000125.7
327T33.7Very low36.2Very low135 Ų135144 Ų14483%0.82881%0.812SS**  trans71.7157.6170-6.80000121.3
328T32.3Very low36.2Very low114 Ų114144.2 Ų144.270%0.69981%0.808SS**  trans69.997.5159.852.80000122.5
329D34.3Very low36.2Very low148 Ų148140.7 Ų140.779%0.79180%0.8SS**  89.2155.1119.2-76.3-69.3000125.8
330N34.3Very low36.5Very low137 Ų137140.7 Ų140.773%0.73380%0.799SS**  trans-95145.3-161.8-68.5-96.8000114.3
331Q33.6Very low36.1Very low201 Ų201141.4 Ų141.494%0.93980%0.796SS**  -175.4162.8108.8-102.1174.693.500114.2
332A33.4Very low36.7Very low88 Ų88145.7 Ų145.773%0.72780%0.798SS**  trans-99.7160.9-165.200000115.4
333R37Very low37.2Very low254 Ų254138.3 Ų138.396%0.95878%0.78SS**  -173.4177.1128.3-99.3161.3-168.7-146.52.1113
334K35Very low37.4Very low201 Ų201138.3 Ų138.387%0.87478%0.777SS**  trans-86.7158.2-159.6-63.2-178.8176.4-176.60115.9
335P47.7Very low38.3Very low119 Ų119137.6 Ų137.677%0.77378%0.778SS**  trans-87.9-162.7160.443.1-39.1000110.5
336P52.1Low39.2Very low121 Ų121132.6 Ų132.679%0.78677%0.768SS**  cis-135.2175.5-4.343.2-27.3000116.3
337A30.6Very low40.3Very low92 Ų92140 Ų14076%0.7678%0.778SS**  trans-170.6139.7149.700000115.7
338S32.6Very low41.1Very low99 Ų99140.8 Ų140.869%0.69278%0.776SS**  trans47.8115.4140.167.70000125.3
339T34.4Very low42.2Very low123 Ų123142.6 Ų142.676%0.75578%0.78SS**  57.8141.2124.863.10000124.5
340V39.5Very low43.1Very low135 Ų135140.6 Ų140.682%0.81877%0.774SS**  trans61.9158.7164.9-53.20000116.8
341D36.2Very low44.2Very low146 Ų146140 Ų14078%0.78178%0.777SS**  cis-147.3171.27.2-1520.8000114.3G343D341-G343 PolarHBondContact O-N 2.88Å
342E44.8Very low45.3Very low192 Ų192135.8 Ų135.890%0.89777%0.765SS**  trans-72.5102.2176.7-173.7177.7168.800112.5
343G49.1Very low46.2Very low47 Ų47139.8 Ų139.849%0.48577%0.769SS.*  trans-156.59.3-171.800000119.9D341D341-G343 PolarHBondContact O-N 2.88Å
344V51.6Low46.8Very low125 Ų125131.7 Ų131.776%0.75876%0.757SS**SBendtrans-93.5-30.2-171.1-174.90000114
345L50.9Low47.5Very low155 Ų155126.4 Ų126.481%0.81275%0.745SS**G310 helixtrans-78.6-21.2-171.2-70.5169.1000114.7R347L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 2.84Å
346S50.6Low47.7Very low93 Ų93127.2 Ų127.265%0.6574%0.742SS**G310 helixtrans-76.4-14.8-177.254.80000114.6
347R53.8Low47.6Very low215 Ų215125.7 Ų125.781%0.81174%0.739SS**G310 helixtrans-88.8-1.6-175.3-89.6-179.5167162.9-1.9116L345L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 2.84Å
348L48.8Very low48.6Very low151 Ų151132.6 Ų132.679%0.79175%0.746SS**G310 helixtrans-100.3-4.5-179.2-73.2170.3000114.6
349L55.7Low48.9Very low152 Ų152132.1 Ų132.180%0.79674%0.742SS**SBendtrans-103.63.8-175.7-91.672.4000115P351L349-P351 WeakPolarHBondContact O-CD 3.48Å
350T53Low49.4Very low106 Ų106135.7 Ų135.765%0.6575%0.748SS**SBendtrans-100.9113.317821.50000112.5T352T350-T352 PolarHBondContact O-N 3.08Å; T350-T352 VanDerWaalsContact O-N 3.12Å
351P57.5Low49.3Very low125 Ų125135 Ų13581%0.81275%0.748SS**  trans-65.3111.5178.5-22.434.5000112.4L349L349-P351 WeakPolarHBondContact O-CD 3.48Å
352T57.8Low49.2Very low112 Ų112132.7 Ų132.769%0.68775%0.75SS**  trans-78.6148.1177.5-11.40000111.3T350 A354 S355T350-T352 PolarHBondContact O-N 3.08Å; T350-T352 VanDerWaalsContact O-N 3.12Å; T352-A354 PolarHBondContact O-N 3.23Å; T352-S355 PolarHBondContact O-N 2.98Å; T352-S355 VanDerWaalsContact O-N 3.09Å
353Q51.4Low48.7Very low172 Ų172128.4 Ų128.480%0.80475%0.747SS**G310 helixtrans-57.8-18.9-169.7-73.2-170.9-10.600115.9S355 L356Q353-S355 PolarHBondContact O-N 2.8Å; Q353-L356 PolarHBondContact O-N 3.12Å; Q353-L356 VanDerWaalsContact O-N 3.15Å
354A50Low48.1Very low85 Ų85132.6 Ų132.670%0.70276%0.763SS**G310 helixtrans-56.5-31.6174.200000113.4T352 L356T352-A354 PolarHBondContact O-N 3.23Å; A354-L356 VanDerWaalsContact C-N 3.32Å; A354-L356 PolarHBondContact O-N 3.36Å
355S49.4Very low47.5Very low89 Ų89134.8 Ų134.862%0.62277%0.77SS**G310 helixtrans-71.2-24.3180-58.70000113.6T352 Q353T352-S355 PolarHBondContact O-N 2.98Å; T352-S355 VanDerWaalsContact O-N 3.09Å; Q353-S355 PolarHBondContact O-N 2.8Å
356L52.3Low46.8Very low137 Ų137132.8 Ų132.872%0.71777%0.768SS**G310 helixtrans-78.9-18.1-176.2-111.2156.7000113.5Q353 A354 R358Q353-L356 PolarHBondContact O-N 3.12Å; Q353-L356 VanDerWaalsContact O-N 3.15Å; A354-L356 VanDerWaalsContact C-N 3.32Å; A354-L356 PolarHBondContact O-N 3.36Å; L356-R358 VanDerWaalsContact C-N 3.32Å; L356-R358 PolarHBondContact O-N 2.93Å
357A50.8Low46.2Very low88 Ų88133.1 Ų133.173%0.72778%0.777SS**G310 helixtrans-81.2-1.9-172.900000115
358R51.5Low45Very low238 Ų238131.5 Ų131.590%0.89878%0.779SS**G310 helixtrans-125.82.1-172.7-68.5-173.4177.9-120.5-0.3115.8L356L356-R358 VanDerWaalsContact C-N 3.32Å; L356-R358 PolarHBondContact O-N 2.93Å
359S38.3Very low44.3Very low88 Ų88127.2 Ų127.262%0.61577%0.771SS**  trans-124.390.7-178.160.20000113.5
360K45Very low43.3Very low199 Ų199125.6 Ų125.687%0.86577%0.772SS**  trans-129.2132.9151.8-60.7-176.7-179.6-176.80104.2
361S37.2Very low42.3Very low119 Ų119128 Ų12883%0.83278%0.782SS**  cis-156167.838.3-66.70000109.6
362A34.6Very low41.2Very low99 Ų99125.5 Ų125.582%0.81877%0.771SS**  cis-163.9156.8-21.700000107.8
363A32.7Very low40.3Very low102 Ų102126.7 Ų126.784%0.84378%0.779SS**  trans-127.7146.4168.400000109.5
364V36.6Very low39.5Very low134 Ų134127 Ų12781%0.81278%0.78SS**  trans-87.3138.1-176.91750000110.1
365L39.9Very low38.7Very low172 Ų172127 Ų12790%0.90177%0.774SS**  trans-169.8162134.3-102.6170.8000110.8
366S35.3Very low38.1Very low112 Ų112130.6 Ų130.678%0.78378%0.78SS**  trans-114142.2-163.7-48.50000113.6
367A37.9Very low37.2Very low101 Ų101132.2 Ų132.284%0.83579%0.789SS**  trans-173.7163143.800000109.4
368E28.7Very low36.5Very low180 Ų180133.6 Ų133.684%0.84179%0.792SS**  cis-176.3136.3-48.617753.8-101.900105.4
369G34.8Very low36.7Very low61 Ų61127.4 Ų127.463%0.62978%0.783SS**  trans72.3151.4-178.300000116.6
370S34.2Very low36.4Very low118 Ų118134.2 Ų134.283%0.82580%0.795SS**  cis-164.7148.8-9.7540000113.6
371D33Very low36.1Very low158 Ų158130.3 Ų130.385%0.84579%0.793SS**  trans102.3145143-147.617000121.1
372A34.1Very low35.9Very low72 Ų72129.4 Ų129.460%0.59579%0.792SS**  trans41.6133.4158.800000121.7
373T38.9Very low35.9Very low137 Ų137129.7 Ų129.784%0.8479%0.789SS**  cis-164.6172.5-2.69.50000111.3
374E34.3Very low36.4Very low178 Ų178130.9 Ų130.983%0.83279%0.788SS**  trans103.9118.8144.1-151.8155.4-136.700121.2
375C33.6Very low36.5Very low85 Ų85129.3 Ų129.357%0.57478%0.782SS**  trans59.797.5152.4-67.40000124.6
376H36Very low36.8Very low164 Ų164127.2 Ų127.276%0.75978%0.779SS**  81.8127.7114.8-63.9-39.8000124.2
377L35Very low36.7Very low171 Ų171130.2 Ų130.290%0.89578%0.783SS**  trans77.8115.6143.8-64.6164.5000121.1
378C35.8Very low36.9Very low118 Ų118132.4 Ų132.480%0.79778%0.781SS**  trans-97.4166.3157.5-141.60000107.8
379P54.3Low38.1Very low108 Ų108129.3 Ų129.370%0.70178%0.776SS**  cis-150-165.928.641.5-17.8000118.1
380R33.3Very low38.1Very low230 Ų230130.3 Ų130.387%0.86878%0.779SS**  trans90.491.6159.9-72.4175.9163.3151.1-4.3121.2
381S37.1Very low38.2Very low118 Ų118136.6 Ų136.683%0.82578%0.784SS**  46.6107.9121.3-48.70000123.9
382A34.9Very low38.4Very low99 Ų99132.5 Ų132.582%0.81878%0.779SS**  89.3142.5120.600000123.7
383S33.5Very low38.9Very low106 Ų106135.6 Ų135.674%0.74179%0.793SS**  trans76.5130.6170.6-146.10000116.7
384P42.9Very low39Very low127 Ų127137.5 Ų137.583%0.82580%0.797SS**  -134.816881.540.1-29.5000116
385S38.4Very low39.1Very low100 Ų100141 Ų14170%0.69980%0.803SS**  trans-82.1168171.9-46.70000113.1
386P47.3Very low39.1Very low129 Ų129141 Ų14184%0.83880%0.803SS**  -142.5169.8104.539.1-26.9000115.1
387M33Very low39.2Very low174 Ų174144.8 Ų144.886%0.85781%0.811SS**  trans-112.6130.7176-67.5-179.269.500112.6
388N40.9Very low39.1Very low147 Ų147141.7 Ų141.779%0.78680%0.804SS**  22.8156.8117.2-97.5-37.2000120.5
389P54Low39.2Very low115 Ų115144.3 Ų144.375%0.74781%0.808SS**  cis-146.6163.120.440.1-19.1000120.7
390A34.8Very low38.1Very low83 Ų83145.2 Ų145.269%0.68681%0.807SS**  trans61.7134.4135.900000124.3
391R36.5Very low38.3Very low250 Ų250143.4 Ų143.494%0.94380%0.8SS**  -164.8148.398.9-98.6171.4-161.9-84.4-3.1112.7
392G37.8Very low38Very low71 Ų71145.6 Ų145.673%0.73280%0.797SS**  trans-102.8179.2-165.200000117.6
393P44.8Very low37.9Very low137 Ų137149.8 Ų149.889%0.8980%0.797SS**  trans-93.6-175.2-166.8-7.729.2000116.6
394L41.3Very low37.8Very low178 Ų178150.5 Ų150.593%0.93280%0.802SS**  trans-57.5151.4-176-63.2159.6000115.2
395R34.9Very low37.2Very low252 Ų252147.5 Ų147.595%0.95179%0.794SS**  trans-131.8156163.6-162.8163.7-177.186.70.3112.3
396S34.8Very low37Very low83 Ų83151.5 Ų151.558%0.5880%0.804SS**  trans-111.7147.9-159.8-1750000113.7
397R38.7Very low36.3Very low244 Ų244151 Ų15192%0.92180%0.799SS**  trans52.7137.4154.8-69.5165.1-171.5162.54.7119.3
398S31.4Very low36.1Very low106 Ų106149.9 Ų149.974%0.74180%0.802SS**  trans-137.4160.9168.467.10000112.9
399I38.4Very low35.8Very low173 Ų173147.5 Ų147.589%0.88780%0.797SS**  trans64.8141.3167.269169.3000120.8
400D31.8Very low34.7Very low127 Ų127151.6 Ų151.668%0.67980%0.803SS**  trans-121.2162.4179.1169.6-128.9000108.1
401R37.4Very low34.6Very low193 Ų193152.7 Ų152.773%0.72881%0.806SS**  trans46129.3165.2-79.6170.1-179.8-174.9-3.7119.2
402Q30Very low34.6Very low163 Ų163145.1 Ų145.176%0.76280%0.797SS**  -163169.886-99.2-53.5-10.400113.1
403K33.5Very low34.4Very low188 Ų188146.3 Ų146.382%0.81779%0.794SS**  trans-115.8125.5-170.4164.2-155.1171.6-168.80110.8
404S30.3Very low33.8Very low120 Ų120148.2 Ų148.284%0.83979%0.791SS**  trans-163.5141.2142.5-149.70000114.1
405G32Very low33.5Very low64 Ų64143.6 Ų143.666%0.6678%0.779SS**  84.2110.1110.600000120.2
406M32.4Very low33.5Very low184 Ų184140 Ų14091%0.90678%0.777SS**  trans82.9136.5142.1-139.865.377.600120.1
407T32.8Very low33.4Very low119 Ų119142.3 Ų142.373%0.7378%0.783SS**  trans-74143.2168.150.40000112.3
408T30Very low33.4Very low150 Ų150136.8 Ų136.892%0.9278%0.777SS**  -158.5169.9127.712.50000110.3
409S33.2Very low33.5Very low98 Ų98136.2 Ų136.269%0.68577%0.773SS**  trans-127.8176.5-174.757.40000111.6
410K32.8Very low33.4Very low200 Ų200135 Ų13587%0.8777%0.767SS**  trans76.7155.8173.8-58.4176.3-178.9-178.50115.1
411S32.3Very low33.6Very low106 Ų106137 Ų13774%0.74177%0.77SS**  cis-177.2152.9-21.81750000109
412A35.7Very low33.2Very low92 Ų92133.4 Ų133.476%0.7677%0.765SS**  trans62.1164.9165.900000115.3
413S34.3Very low34Very low96 Ų96133.4 Ų133.467%0.67176%0.762SS**  cis-142.6-172.4-19.343.10000106
414E32Very low34Very low176 Ų176131.8 Ų131.882%0.82276%0.758SS**  cis-158.6178.816.5-148.8144.2124.800111.9
415A35.5Very low33.9Very low82 Ų82133.2 Ų133.268%0.67876%0.755SS**  trans-57.8167.7-174.400000117.7
416L34Very low33.8Very low177 Ų177134.2 Ų134.293%0.92776%0.757SS**  -161.1166.5103.1-96.2172000111.5
417D32.9Very low33.9Very low131 Ų131130.8 Ų130.870%0.70175%0.751SS**  trans-138.4167.6-164.5171.948.3000111.6
418T38.3Very low34.9Very low128 Ų128130.7 Ų130.779%0.78575%0.753SS**  trans163.4144.7146.8340000111.6
419S33.5Very low35Very low94 Ų94135.8 Ų135.866%0.65776%0.755SS**  cis-169.3-154.2-16.8-162.20000110.3
420L36.6Very low35Very low147 Ų147134.3 Ų134.377%0.7776%0.755SS**  trans79146.2-175.1-52-177.4000114.3
421K35.6Very low35.1Very low169 Ų169134.2 Ų134.274%0.73576%0.758SS**  cis96.4134.216.1-65178.3-176171.70115.1
422D30.2Very low35.1Very low118 Ų118140 Ų14063%0.63176%0.763SS**  cis-126.8148.313.6-96.3-59.5000115.5
423K45.5Very low35.9Very low162 Ų162140.3 Ų140.370%0.70476%0.758SS**  trans20.9142.7131.5-58171.1-178.5175.70119.5
424Q33.5Very low35.8Very low154 Ų154140.5 Ų140.572%0.7277%0.765SS**  cis-164177.33.6-113.4166-119.700107.9
425L29.6Very low36Very low151 Ų151137.2 Ų137.279%0.79176%0.761SS**  cis-115.9-89.88.2-152.7175000112.9
426A29.7Very low36.9Very low85 Ų85139.5 Ų139.570%0.70277%0.77SS**  cis-152.7161.4-1400000108.7
427S34.7Very low36.8Very low111 Ų111136 Ų13678%0.77676%0.76SS**  trans-162.3172-167-128.30000115.7
428P53.3Low36.8Very low118 Ų118135.9 Ų135.977%0.76676%0.764SS**  -137.9171.3-87.842.2-25.3000115.7
429R30.8Very low36.5Very low257 Ų257134.2 Ų134.297%0.9776%0.758SS**  trans-160.1122.2162.9-155.6179.2-168.7-139.46108.8
430G34.1Very low36.7Very low66 Ų66138.8 Ų138.868%0.6877%0.771SS**  cis153.4151-4.800000109.1
431Q35.1Very low36.4Very low199 Ų199135.6 Ų135.693%0.9377%0.773SS**  trans-170.3168.4163.7-88.8-117.522.100111.6
432R32.6Very low36.4Very low226 Ų226137.6 Ų137.685%0.85378%0.776SS**  trans-157.6168.2-165-145.5-159.3160.3171.3-5.1108.4
433P51.8Low36.5Very low100 Ų100139 Ų13965%0.64978%0.779SS**  cis-125.3173-44.421.80.3000115.1
434A32.9Very low35.8Very low99 Ų99142.6 Ų142.682%0.81879%0.788SS**  trans55.4137.7135.800000124.9
435S36.7Very low36.3Very low107 Ų107140.8 Ų140.875%0.74879%0.792SS**  trans-72.9173.9155-370000112.3
436P52.6Low37.3Very low131 Ų131140 Ų14085%0.85180%0.796SS**  -149.1-158.495.741-23000114.8
437S32.1Very low37.5Very low103 Ų103140.9 Ų140.972%0.7280%0.797SS**  trans-123.1-177.7-160.4-51.80000115
438T34.6Very low38.1Very low128 Ų128141.7 Ų141.779%0.78580%0.8SS**  trans69.890154.748.10000121.8
439S31.3Very low37.4Very low94 Ų94140.1 Ų140.166%0.65780%0.797SS**  39.9142114.267.30000124.7
440M36.5Very low38.5Very low189 Ų189133.5 Ų133.593%0.93179%0.787SS**  trans95.3130.4156.4-55.7-58.4172.100118.7
441G32.1Very low38.9Very low80 Ų80135.6 Ų135.683%0.82579%0.792SS**  trans172.842.5-179.900000119.9
442R35.3Very low39.6Very low211 Ų211131.9 Ų131.980%0.79679%0.785SS**  trans-29.7130.8171.4-179.2-161.2-63.2-121.13.2117.4
443H32Very low40.1Very low148 Ų148126 Ų12669%0.68577%0.774SS**  161.7137.1126.7-88.7-66.2000117.9
444R31.5Very low40.1Very low237 Ų237127 Ų12789%0.89478%0.781SS**  trans49.8140.1148.6-62.1-178.8-176.6-99.14122.9
445S43.7Very low40.3Very low116 Ų116130.9 Ų130.981%0.81178%0.779SS**  trans-87.6167177.5-29.20000114.3
446P49.8Very low40.1Very low134 Ų134136.1 Ų136.187%0.8778%0.782SS**  -142.2-169.689.639.6-23.6000115.6
447S33.1Very low39.4Very low104 Ų104135.3 Ų135.373%0.72778%0.775SS**  trans-103.5172.1-173.6-172.80000112.7
448P49.2Very low40Very low128 Ų128136.2 Ų136.283%0.83178%0.779SS**  -142.5176.199.340.3-27.3000115.4
449A38.7Very low40.1Very low86 Ų86135.7 Ų135.771%0.71178%0.78SS**  trans-136.8164.2170.700000110.5
450P53.8Low41.3Very low117 Ų117136.4 Ų136.476%0.7678%0.783SS**  -139.6130.3127.332.3-17.2000112.4
451S41.3Very low41Very low110 Ų110132.8 Ų132.877%0.76978%0.776SS**  82.7158.77899.20000113.5
452P49.1Very low41.2Very low121 Ų121133.8 Ų133.879%0.78678%0.777SS**  cis-127.5-1785.140.8-24.3000116.3
453T43.9Very low41.2Very low103 Ų103128.4 Ų128.463%0.63277%0.771SS**  trans-103.6168.1-177.464.50000113.6
454P52Low41.2Very low121 Ų121130.6 Ų130.679%0.78678%0.779SS**  -126.2145.994.92.219.8000112.9
455K36.7Very low41.9Very low181 Ų181128.6 Ų128.679%0.78778%0.78SS**  72137.660.2-65.1172.7-176.7175.10113.1
456R32Very low41.7Very low216 Ų216128.3 Ų128.382%0.81578%0.778SS**  cis-176.7177.3-4.7-179.7-176.9151.8-1321.1109.2
457T39.5Very low41.6Very low115 Ų115127.3 Ų127.371%0.70677%0.771SS**  trans95.5154.615764.70000120.4
458P44.2Very low41.7Very low122 Ų122131.2 Ų131.279%0.79278%0.775SS**  trans-130.7-167.7-153.145.4-28.2000117.2
459S35.7Very low40.9Very low116 Ų116131.2 Ų131.281%0.81177%0.773SS**  trans-71.8157.3-172.6-24.20000118
460P56.3Low40.9Very low110 Ų110137.9 Ų137.971%0.71478%0.779SS**  -135.3144.6119.637.1-25.8000111.6
461S31.7Very low40.5Very low113 Ų113137.2 Ų137.279%0.7978%0.775SS**  55.6126.962.874.30000114.4
462A34.8Very low40.9Very low101 Ų101137.1 Ų137.184%0.83577%0.772SS**  cis-148.7-171.36.400000109.2
463S35.2Very low40.4Very low97 Ų97137 Ų13768%0.67877%0.774SS**  cis-164.8160.921.473.90000113.1
464K32.8Very low40.8Very low194 Ų194138.3 Ų138.384%0.84378%0.784SS**  trans42.7127.7154.1-58.6170.4-174.9176.30118
465Q46.1Very low39.8Very low196 Ų196138 Ų13892%0.91679%0.785SS**  cis-138.1-171.946.4-64.5-179.8-9.200114.2
466S39.2Very low39.8Very low110 Ų110133.1 Ų133.177%0.76978%0.778SS**  trans-110.8178-168.251.90000113.7
467P48.9Very low40Very low113 Ų113131.1 Ų131.173%0.73478%0.78SS**  cis-116165.9-9.330.8-10.7000112.5
468K33.4Very low39.7Very low185 Ų185134.8 Ų134.880%0.80479%0.787SS**  60.5136.459.5-102.581.3-177.8-173.90113.4
469T33.7Very low39.1Very low128 Ų128137.9 Ų137.979%0.78579%0.79SS**  cis-159.2140.914.7-11.90000114.1
470R37.8Very low39.2Very low226 Ų226143 Ų14385%0.85379%0.792SS**  trans-95.9168.1138.7-133.2-158.9162.6-145.4-0.7105.6
471P46.6Very low39.1Very low103 Ų103143 Ų14367%0.66979%0.792SS**  cis-139.1-113.321.130.3-0.1000115.4
472P49.6Very low39.9Very low108 Ų108143.4 Ų143.470%0.70179%0.792SS**  trans-122.4178.8-140.437.1-14.3000116.1
473S37.5Very low39.9Very low118 Ų118143 Ų14383%0.82578%0.783SS**  trans-64.8151.5177.1-33.70000114.2
474P52.2Low40.6Very low131 Ų131144.4 Ų144.485%0.85179%0.79SS**  -135.4-177.9127.239.2-29000114.7
475S32.2Very low41Very low115 Ų115143.2 Ų143.280%0.80479%0.787SS**  trans-73.8170.6-165.5-165.40000117.2
476A36Very low41Very low78 Ų78140 Ų14065%0.64578%0.783SS**  trans107.1104.2139.200000121.4
477M37.3Very low40.7Very low174 Ų174139.5 Ų139.586%0.85779%0.785SS**  64.9132.9122.2-59.7-172-175.300123.2
478K32.8Very low40Very low193 Ų193140 Ų14084%0.83979%0.792SS**  trans86.5142.8154.2-68.2-179.1179.2-178.70121
479Q32Very low40.1Very low186 Ų186136 Ų13687%0.86979%0.793SS**  trans95.3115.9143.4-144.5142.6-23.300121.1
480R36.3Very low40.6Very low223 Ų223139.6 Ų139.684%0.84280%0.798SS**  trans-90140.9167158.6-174.6-179.4-1500.5108.5
481P54.3Low41.2Very low110 Ų110134.2 Ų134.271%0.71479%0.792SS**  -157.2-163.390.943.3-22.8000114
482P49.2Very low41.5Very low123 Ų123134.9 Ų134.980%0.79980%0.797SS**  cis-119.7-163.1-24.318.56.4000112.6
483S34.4Very low41.7Very low91 Ų91134.6 Ų134.664%0.63680%0.795SS**  trans-105.4168.3170.3178.50000110.7
484P50.2Low41.5Very low127 Ų127135.7 Ų135.783%0.82579%0.79SS**  -139.1165.8109.738.9-28.5000115.4
485Q40.7Very low40.7Very low170 Ų170138.2 Ų138.279%0.79479%0.791SS**  trans-115.1166.8161.9-62.5-171.9-86.900109.9
486P47.3Very low40.9Very low129 Ų129142.1 Ų142.184%0.83879%0.793SS**  trans-118168140.836.2-28.8000112.2
487A32.9Very low41.3Very low98 Ų98143.7 Ų143.781%0.8180%0.797SS**  trans-153.2154.3-171.500000115
488S33Very low41Very low124 Ų124140.4 Ų140.487%0.86779%0.791SS**  trans-170.4151.2165.753.10000108.5
489A35.7Very low41.1Very low101 Ų101138.7 Ų138.784%0.83579%0.79SS**  cis-148.8-175-17.800000109.4
490K43.6Very low41.5Very low203 Ų203135.6 Ų135.688%0.88378%0.784SS**  trans-124.3-174.5-179.5-57.1-179.2-179.7175.90109.4
491P51.7Low41.9Very low114 Ų114131.4 Ų131.474%0.7479%0.785SS**  cis-140.9-140.46.738.5-12000113.4
492P53.1Low40.9Very low117 Ų117132.3 Ų132.376%0.7679%0.789SS**  -111.2-121.5-7129.9-8.1000115
493P53.2Low40.2Very low102 Ų102129.5 Ų129.566%0.66278%0.783SS**  -136.8-172.9-12644.8-23.3000118.6
494I34.3Very low40.8Very low140 Ų140131 Ų13172%0.71879%0.791SS**  trans88.3137.1157.2-65166.5000119.5
495Q34.5Very low40.9Very low185 Ų185130.4 Ų130.486%0.86479%0.786SS**  trans78.7161.9160-85.7170.878.300122.7
496K37Very low40.5Very low196 Ų196128.8 Ų128.885%0.85279%0.788SS**  trans-94161.6-176.1-38.6169-177.8170.80108.4
497P43.9Very low40.1Very low112 Ų112130.5 Ų130.573%0.72779%0.79SS**  -157.1-172.263.743.7-22.9000116.9
498S30.6Very low40.3Very low104 Ų104137.2 Ų137.273%0.72779%0.794SS**  trans70155.5154.980.20000118.2
499L36.2Very low40.6Very low158 Ų158139.9 Ų139.983%0.82779%0.79SS**  cis-154.4145.7-16.6-120.4168.2000108.4
500T40.1Very low40.8Very low120 Ų120145.1 Ų145.174%0.73679%0.788SS**  trans-108.8138.6170.948.60000110.4T502T500-T502 PolarHBondContact O-N 2.84Å
501P43.7Very low40.1Very low135 Ų135142.9 Ų142.988%0.87779%0.786SS**PPolyproline II helixtrans-68.1122.8-175.626-33.4000113.1
502T32.9Very low39.4Very low129 Ų129142 Ų14279%0.79178%0.782SS**PPolyproline II helixtrans-47.7136.5177.2-49.60000115.4T500T500-T502 PolarHBondContact O-N 2.84Å
503G34.4Very low38.3Very low65 Ų65145.7 Ų145.767%0.6779%0.787SS**PPolyproline II helixtrans-102.1138.215100000110.3
504P47Very low37.4Very low123 Ų123146.1 Ų146.180%0.79979%0.792SS**PPolyproline II helixtrans-82.1152.5-178.232.7-34.6000113
505P53.3Low37.5Very low113 Ų113147 Ų14773%0.73479%0.79SS**  trans-100.8175.2-178.440.2-36.1000112.8
506T32.2Very low37.3Very low137 Ų137143.5 Ų143.584%0.8478%0.778SS**  -176.6150.6122.422.30000113.6
507L38.5Very low37.4Very low165 Ų165142.2 Ų142.286%0.86478%0.779SS**  trans-116.4121.4151.3-81.6171.5000108
508R37.7Very low36.8Very low238 Ų238139.7 Ų139.790%0.89877%0.773SS**  -176.2138127.1-105.9-176.9-78-176.6-2.5114.3
509K38.5Very low37.7Very low181 Ų181140.7 Ų140.779%0.78778%0.777SS**  trans16.1123.2153.5-70.9-177.4173.11800120.4
510R40.1Very low37.8Very low211 Ų211139.7 Ų139.780%0.79678%0.778SS**  61.9112126.3-175-155.6-71.5168.3-9.1117.5
511D29.8Very low37.8Very low155 Ų155141.8 Ų141.883%0.82978%0.779SS**  trans-149.4-172.5130.2-125.1-43.9000113.2
512S36.4Very low37.9Very low95 Ų95140.2 Ų140.266%0.66477%0.769SS**  trans-117.1136.7-145.1-51.80000118
513K29.3Very low37.8Very low196 Ų196140.8 Ų140.885%0.85277%0.772SS**  trans58.2107.8135.4-169.5179.1-178.9176.40121.4
514S35.2Very low37.8Very low110 Ų110141.7 Ų141.777%0.76977%0.773SS**  trans-142.2124.8140.238.10000107.4
515K36Very low38Very low158 Ų158140.8 Ų140.869%0.68777%0.767SS**  69129.875.8-74.9-166.3138.1-780112.2
516D29.7Very low37.1Very low113 Ų113144.5 Ų144.560%0.60478%0.775SS**  cis-149.8172.9-0.9-84.4-46.7000107.3
517L39.7Very low37.2Very low169 Ų169142.2 Ų142.289%0.88577%0.77SS**  cis-122.2-654.7-74.3166.1000112.4
518G31.5Very low37.2Very low58 Ų58138.3 Ų138.360%0.59876%0.761SS**  trans122.7-147.1-163.100000111.1
519P50.3Low37Very low125 Ų125135.7 Ų135.781%0.81276%0.759SS**  cis-69.6-157.4-0.5-2137.4000113.6
520V37.4Very low36.9Very low138 Ų138131.4 Ų131.484%0.83676%0.757SS**  cis-133-16023.3-1520000111.5
521Q39.7Very low36.8Very low164 Ų164126 Ų12677%0.76675%0.752SS**  trans-149.3169.3-160.5-84.1-74.930.400109.5
522P47.4Very low37.2Very low101 Ų101127.3 Ų127.366%0.65675%0.75SS**  cis-142.1-179.2-13.930.5-7.3000117.1
523V30.6Very low37.2Very low141 Ų141128.7 Ų128.786%0.85576%0.755SS**  trans84.9145.7157.8-158.10000119.3
524A33.4Very low37.9Very low85 Ų85128.1 Ų128.170%0.70275%0.753SS**  trans-134.2-143.5-174.200000109.4
525P51Low37.9Very low104 Ų104130.3 Ų130.368%0.67576%0.755SS**  cis-141.6168.72.944.3-25.5000118.7
526Q35Very low38.7Very low191 Ų191130.5 Ų130.589%0.89376%0.756SS**  trans65.9159.5142.8-82.5179.336.700120.8
527A33.3Very low39.2Very low89 Ų89132.3 Ų132.374%0.73677%0.766SS**  cis-151.3173.8-6.300000111.7
528A40Very low39.8Very low82 Ų82130.7 Ų130.768%0.67876%0.758SS**  trans-95.4167.2161.600000109.6
529E32.6Very low40.7Very low183 Ų183132.9 Ų132.986%0.85577%0.765SS**  -179.5-168.471.4-111.3-59.8159.100110.5
530A37.2Very low41Very low91 Ų91136 Ų13675%0.75277%0.765SS**  trans89.6159.4162.300000117.5
531S37.2Very low41.7Very low99 Ų99135.3 Ų135.369%0.69276%0.764SS**  trans-157.7162.2-147.377.20000115.4
532K38.2Very low42Very low181 Ų181133.3 Ų133.379%0.78776%0.763SS**  trans82122.6154.3-72.1176.5179.5176.10119.9
533T36Very low42.3Very low125 Ų125131.9 Ų131.977%0.76777%0.766SS**  trans68.7118.1135.356.10000120.6
534K43.6Very low43.5Very low184 Ų184131.2 Ų131.280%0.876%0.763SS**  trans69.6103.3134-171.1-169.8176.1-163.80115.6
535D35.7Very low44.8Very low155 Ų155133.9 Ų133.983%0.82977%0.765SS**  -141.7167.9108.4-106.2-37.6000112.7
536K53.5Low45.4Very low163 Ų163132 Ų13271%0.70976%0.755SS**  trans-112.1115.2176.8178.3-162.3-178.7-60.10107.4D538K536-D538 IonicContact NZ-OD2 3.14Å; K536-D538 PolarHBondContact NZ-OD2 2.88Å; K536-D538 VanDerWaalsContact NZ-OD2 3.14Å
537D40.5Very low47.2Very low150 Ų150127 Ų12780%0.80275%0.746SS**  trans-147.6149.9161.7-137.2-28.2000113.5S539D537-S539 PolarHBondContact O-N 2.94Å
538D52.4Low49.3Very low135 Ų135126.1 Ų126.172%0.72274%0.739SS**  trans-93.990-173.5-90.2-89.2000110K536K536-D538 IonicContact NZ-OD2 3.14Å; K536-D538 PolarHBondContact NZ-OD2 2.88Å; K536-D538 VanDerWaalsContact NZ-OD2 3.14Å
539S50.7Low51.1Low105 Ų105127.7 Ų127.773%0.73473%0.732SS**  trans-129.896.8174.150.80000113.2D537 P541D537-S539 PolarHBondContact O-N 2.94Å; S539-P541 WeakPolarHBondContact O-CD 3.38Å
540K54.6Low53.2Low189 Ų189121.3 Ų121.382%0.82271%0.711SS**  trans-49.3119163.3171.1-173177.3-175.70109.8T542K540-T542 PolarHBondContact O-N 2.85Å
541P52.3Low55.4Low124 Ų124119.6 Ų119.681%0.80570%0.696SS**  trans-69104.4176.126.5-32.7000110S539 G543S539-P541 WeakPolarHBondContact O-CD 3.38Å; P541-G543 PolarHBondContact O-N 3.25Å
542T46Very low57.8Low122 Ų122121.8 Ų121.875%0.74869%0.693SS**  trans-56.2121.9170.5-65.90000109.6K540K540-T542 PolarHBondContact O-N 2.85Å
543G54.2Low60.1Low71 Ų71117.5 Ų117.573%0.73268%0.678SS**  trans-84.6125.9-174.400000113.2P541P541-G543 PolarHBondContact O-N 3.25Å
544T55.6Low62.5Low128 Ų128116.5 Ų116.579%0.78567%0.668SS**  trans-129.79.8169.349.10000113.7S546T544-S546 PolarHBondContact O-N 3.5Å
545N60.6Low64.7Low140 Ų140110.1 Ų110.175%0.74965%0.65SS**SBendtrans-75.2118.8164.9-72.16.2000108.7
546S64.8Low67.2Low66 Ų66107.8 Ų107.846%0.46263%0.634SS.*  trans-60.5140-178.7178.90000111.1T544 A548 E549 A550T544-S546 PolarHBondContact O-N 3.5Å; S546-A548 PolarHBondContact O-N 3.37Å; S546-A548 VanDerWaalsContact O-N 3.07Å; S546-E549 PolarHBondContact O-N 2.84Å; S546-A550 PolarHBondContact O-N 3.24Å
547A72.8Confident69Low85 Ų85104 Ų10470%0.70262%0.621SS**Hα-helixtrans-56.7-28.4179.100000112.6A551A547-A551 VanDerWaalsContact O-CB 3.31Å; A547-A551 WeakPolarHBondContact O-CB 3.44Å; A547-A551 PolarHBondContact O-N 3.11Å; A547-A551 VanDerWaalsContact O-N 3.08Å
548A77.1Confident71.6Confident71 Ų71103.6 Ų103.659%0.58761%0.608SS**Hα-helixtrans-65.5-37.1173.600000113S546 K552S546-A548 PolarHBondContact O-N 3.37Å; S546-A548 VanDerWaalsContact O-N 3.07Å; A548-K552 WeakPolarHBondContact O-CB 3.42Å; A548-K552 PolarHBondContact O-N 3.4Å
549E76.6Confident73.5Confident115 Ų115105.1 Ų105.154%0.53760%0.604SS.*Hα-helixtrans-77.5-40.8-178.6-63.8-173.6133.100111.7S546 A551 K552 I553S546-E549 PolarHBondContact O-N 2.84Å; E549-A551 VanDerWaalsContact C-N 3.28Å; E549-A551 PolarHBondContact O-N 2.96Å; E549-K552 WeakPolarHBondContact O-CB 3.49Å; E549-K552 PolarHBondContact O-N 2.86Å; E549-K552 VanDerWaalsContact O-N 3.13Å; E549-I553 WeakPolarHBondContact O-CG1 3.34Å; E549-I553 PolarHBondContact O-N 2.98Å
550A77.2Confident75.5Confident49 Ų49104.2 Ų104.241%0.40559%0.59SS.*Hα-helixtrans-59.1-40.9170.300000111.4S546 L554S546-A550 PolarHBondContact O-N 3.24Å; A550-L554 WeakPolarHBondContact O-CG 3.22Å; A550-L554 PolarHBondContact O-N 2.88Å; A550-L554 VanDerWaalsContact O-N 3.1Å
551A83.3Confident77Confident54 Ų54101.1 Ų101.145%0.44658%0.58SS.*Hα-helixtrans-65.3-39173.700000112.7A547 E549 L554 A555A547-A551 VanDerWaalsContact O-CB 3.31Å; A547-A551 WeakPolarHBondContact O-CB 3.44Å; A547-A551 PolarHBondContact O-N 3.11Å; A547-A551 VanDerWaalsContact O-N 3.08Å; E549-A551 VanDerWaalsContact C-N 3.28Å; E549-A551 PolarHBondContact O-N 2.96Å; A551-L554 PolarHBondContact O-N 2.96Å; A551-A555 WeakPolarHBondContact O-CB 3.35Å; A551-A555 PolarHBondContact O-N 3.36Å
552K88Confident78.8Confident145 Ų145103.2 Ų103.263%0.6357%0.572SS**Hα-helixtrans-63.1-49.5176-172.6-177.9176.5-171.70111.5A548 E549 L554 A555 E556A548-K552 WeakPolarHBondContact O-CB 3.42Å; A548-K552 PolarHBondContact O-N 3.4Å; E549-K552 WeakPolarHBondContact O-CB 3.49Å; E549-K552 PolarHBondContact O-N 2.86Å; E549-K552 VanDerWaalsContact O-N 3.13Å; K552-L554 VanDerWaalsContact C-N 3.3Å; K552-L554 PolarHBondContact O-N 3.28Å; K552-A555 WeakPolarHBondContact O-CA 3.49Å; K552-A555 WeakPolarHBondContact O-CB 3.31Å; K552-A555 PolarHBondContact O-N 3.2Å; K552-E556 WeakPolarHBondContact O-CB 3.29Å; K552-E556 PolarHBondContact O-N 3.05Å
553I87.1Confident80.9Confident92 Ų9299.8 Ų99.847%0.47255%0.548SS..Hα-helixtrans-59.6-40.6176.7-66.4165000110.9E549 E556 N557E549-I553 WeakPolarHBondContact O-CG1 3.34Å; E549-I553 PolarHBondContact O-N 2.98Å; I553-E556 PolarHBondContact O-N 2.93Å; I553-N557 WeakPolarHBondContact O-CB 3.4Å; I553-N557 PolarHBondContact O-N 3.42Å; I553-N557 PolarHBondContact O-ND2 3.5Å
554L86.2Confident82.5Confident103 Ų103102.6 Ų102.654%0.53954%0.542SS..Hα-helixtrans-68.9-34.9174.7-71.8173.3000112.7A550 A551 K552 R558A550-L554 WeakPolarHBondContact O-CG 3.22Å; A550-L554 PolarHBondContact O-N 2.88Å; A550-L554 VanDerWaalsContact O-N 3.1Å; A551-L554 PolarHBondContact O-N 2.96Å; K552-L554 VanDerWaalsContact C-N 3.3Å; K552-L554 PolarHBondContact O-N 3.28Å; L554-R558 WeakPolarHBondContact O-CB 3.28Å; L554-R558 VanDerWaalsContact O-CG 3.28Å; L554-R558 WeakPolarHBondContact O-CG 3.49Å; L554-R558 PolarHBondContact O-N 3.04Å; L554-R558 VanDerWaalsContact O-N 3.14Å; L554-R558 PolarHBondContact O-NE 2.82Å
555A89.6Confident84.3Confident51 Ų51101.9 Ų101.942%0.42153%0.528SS..Hα-helixtrans-66-41.5172.900000111.7A551 K552 R558 R559A551-A555 WeakPolarHBondContact O-CB 3.35Å; A551-A555 PolarHBondContact O-N 3.36Å; K552-A555 WeakPolarHBondContact O-CA 3.49Å; K552-A555 WeakPolarHBondContact O-CB 3.31Å; K552-A555 PolarHBondContact O-N 3.2Å; A555-R558 CarbonylContact O-C 3.55Å; A555-R558 PolarHBondContact O-N 3.41Å; A555-R559 PolarHBondContact O-N 3.35Å
556E88.3Confident85.8Confident106 Ų106100.3 Ų100.350%0.49552%0.516SS..Hα-helixtrans-67.8-47178.7-172.5154.7-13300112.3K552 I553 R558 R559 L560K552-E556 WeakPolarHBondContact O-CB 3.29Å; K552-E556 PolarHBondContact O-N 3.05Å; I553-E556 PolarHBondContact O-N 2.93Å; E556-R558 VanDerWaalsContact C-N 3.27Å; E556-R558 PolarHBondContact O-N 3.43Å; E556-R559 CarbonylContact O-C 3.56Å; E556-R559 WeakPolarHBondContact O-CA 3.34Å; E556-R559 VanDerWaalsContact O-CB 3.29Å; E556-R559 WeakPolarHBondContact O-CB 3.45Å; E556-R559 PolarHBondContact O-N 3.48Å; E556-L560 PolarHBondContact O-N 3.29Å
557N90.9Very high87.1Confident83 Ų83103.5 Ų103.544%0.44452%0.518SS..Hα-helixtrans-60.5-35.5171.8-78.2-28.2000112.3I553 R559 L560 M561I553-N557 WeakPolarHBondContact O-CB 3.4Å; I553-N557 PolarHBondContact O-N 3.42Å; I553-N557 PolarHBondContact O-ND2 3.5Å; N557-R559 VanDerWaalsContact C-N 3.31Å; N557-R559 PolarHBondContact O-N 2.96Å; N557-L560 PolarHBondContact O-N 3.38Å; N557-M561 WeakPolarHBondContact O-CB 3.37Å; N557-M561 WeakPolarHBondContact O-CG 3.27Å; N557-M561 PolarHBondContact O-N 2.94Å
558R95Very high87.9Confident141 Ų141106 Ų10653%0.53252%0.515SS..Hα-helixtrans-71.5-21.8171.8-74.6174.1-67-167.5-0.5113.1L554 A555 E556 R562L554-R558 WeakPolarHBondContact O-CB 3.28Å; L554-R558 VanDerWaalsContact O-CG 3.28Å; L554-R558 WeakPolarHBondContact O-CG 3.49Å; L554-R558 PolarHBondContact O-N 3.04Å; L554-R558 VanDerWaalsContact O-N 3.14Å; L554-R558 PolarHBondContact O-NE 2.82Å; A555-R558 CarbonylContact O-C 3.55Å; A555-R558 PolarHBondContact O-N 3.41Å; E556-R558 VanDerWaalsContact C-N 3.27Å; E556-R558 PolarHBondContact O-N 3.43Å; R558-R562 WeakPolarHBondContact O-CG 3.47Å; R558-R562 PolarHBondContact O-NH1 3.37Å
559R93.4Very high88.6Confident168 Ų168107.1 Ų107.163%0.63451%0.508SS*.Hα-helixtrans-74.3-53.5168.2178.2-177.1171.3165.72.2109.7A555 E556 N557 M561 R562 E563A555-R559 PolarHBondContact O-N 3.35Å; E556-R559 CarbonylContact O-C 3.56Å; E556-R559 WeakPolarHBondContact O-CA 3.34Å; E556-R559 VanDerWaalsContact O-CB 3.29Å; E556-R559 WeakPolarHBondContact O-CB 3.45Å; E556-R559 PolarHBondContact O-N 3.48Å; N557-R559 VanDerWaalsContact C-N 3.31Å; N557-R559 PolarHBondContact O-N 2.96Å; R559-M561 VanDerWaalsContact C-N 3.31Å; R559-M561 PolarHBondContact O-N 3.03Å; R559-R562 WeakPolarHBondContact O-CA 3.29Å; R559-R562 WeakPolarHBondContact O-CB 3.39Å; R559-R562 PolarHBondContact O-N 3.39Å; R559-E563 IonicContact NE-OE2 3.56Å; R559-E563 PolarHBondContact O-N 3.21Å
560L92.3Very high89.4Confident85 Ų85106.5 Ų106.545%0.44551%0.505SS..Hα-helixtrans-56.8-40.8179.7-66.1174.2000112.6E556 N557 R562 E563 Q564E556-L560 PolarHBondContact O-N 3.29Å; N557-L560 PolarHBondContact O-N 3.38Å; L560-R562 VanDerWaalsContact C-N 3.32Å; L560-R562 PolarHBondContact O-N 2.76Å; L560-E563 PolarHBondContact O-N 3.07Å; L560-Q564 WeakPolarHBondContact O-CB 3.48Å; L560-Q564 WeakPolarHBondContact O-CG 3.49Å; L560-Q564 PolarHBondContact O-N 3.25Å
561M86.6Confident90.2Very high125 Ų125108.9 Ų108.962%0.61651%0.511SS*.Hα-helixtrans-64.3-31.8174.3-76.8-60.8-53.800113.7N557 R559 K565N557-M561 WeakPolarHBondContact O-CB 3.37Å; N557-M561 WeakPolarHBondContact O-CG 3.27Å; N557-M561 PolarHBondContact O-N 2.94Å; R559-M561 VanDerWaalsContact C-N 3.31Å; R559-M561 PolarHBondContact O-N 3.03Å; M561-K565 WeakPolarHBondContact O-CB 3.4Å; M561-K565 PolarHBondContact O-N 3.09Å
562R88.5Confident90.7Very high168 Ų168114.3 Ų114.363%0.63452%0.519SS*.Hα-helixtrans-73.6-43.3171.8-69.1177.7-169.5107.8-16.7110.6R558 R559 L560 Q564 K565 E566R558-R562 WeakPolarHBondContact O-CG 3.47Å; R558-R562 PolarHBondContact O-NH1 3.37Å; R559-R562 WeakPolarHBondContact O-CA 3.29Å; R559-R562 WeakPolarHBondContact O-CB 3.39Å; R559-R562 PolarHBondContact O-N 3.39Å; L560-R562 VanDerWaalsContact C-N 3.32Å; L560-R562 PolarHBondContact O-N 2.76Å; R562-Q564 VanDerWaalsContact C-N 3.34Å; R562-Q564 PolarHBondContact O-N 3.06Å; R562-K565 PolarHBondContact O-N 2.63Å; R562-E566 VanDerWaalsContact O-CB 3.26Å; R562-E566 WeakPolarHBondContact O-CB 3.39Å; R562-E566 PolarHBondContact O-N 3.32Å
563E91.3Very high90.9Very high50 Ų50112.2 Ų112.223%0.23451%0.514CS..Hα-helixtrans-68.7-29.1-178.2-139.7-170.810000113.1R559 L560 R567R559-E563 IonicContact NE-OE2 3.56Å; R559-E563 PolarHBondContact O-N 3.21Å; L560-E563 PolarHBondContact O-N 3.07Å; E563-R567 WeakPolarHBondContact O-CG 3.38Å; E563-R567 PolarHBondContact O-N 3.2Å; E563-R567 PolarHBondContact O-NH1 2.85Å; E563-R567 VanDerWaalsContact O-NH1 3.15Å; E563-R567 IonicContact OE1-CZ 3.23Å; E563-R567 VanDerWaalsContact OE1-CZ 3.23Å; E563-R567 IonicContact OE1-NH1 2.77Å; E563-R567 PolarHBondContact OE1-NH1 2.83Å; E563-R567 IonicContact OE1-NH2 2.77Å; E563-R567 PolarHBondContact OE1-NH2 3.08Å
564Q88.3Confident91.1Very high130 Ų130113.8 Ų113.861%0.60752%0.519SS*.Hα-helixtrans-72.6-48.1168.5-79.3-171.6-25.300111L560 R562 E566 R567 E568L560-Q564 WeakPolarHBondContact O-CB 3.48Å; L560-Q564 WeakPolarHBondContact O-CG 3.49Å; L560-Q564 PolarHBondContact O-N 3.25Å; R562-Q564 VanDerWaalsContact C-N 3.34Å; R562-Q564 PolarHBondContact O-N 3.06Å; Q564-E566 VanDerWaalsContact C-N 3.27Å; Q564-E566 PolarHBondContact O-N 3.24Å; Q564-R567 PolarHBondContact O-N 3.49Å; Q564-E568 PolarHBondContact O-N 2.88Å
565K92.5Very high91.4Very high113 Ų113115.8 Ų115.849%0.49152%0.524SS..Hα-helixtrans-59.5-40.1176.7-167.7-163.6171.5-113.40111.3M561 R562 E568 E569M561-K565 WeakPolarHBondContact O-CB 3.4Å; M561-K565 PolarHBondContact O-N 3.09Å; R562-K565 PolarHBondContact O-N 2.63Å; K565-E568 PolarHBondContact O-N 3.4Å; K565-E569 IonicContact NZ-OE1 2.72Å; K565-E569 PolarHBondContact NZ-OE1 2.95Å; K565-E569 IonicContact NZ-OE2 2.72Å; K565-E569 PolarHBondContact NZ-OE2 3Å; K565-E569 WeakPolarHBondContact O-CB 3.37Å; K565-E569 PolarHBondContact O-N 2.95Å
566E92.2Very high91.4Very high106 Ų106118.9 Ų118.950%0.49553%0.529SS..Hα-helixtrans-63.5-42.3177.8-176.6174.3-175.100111.9R562 Q564 E569 Q570R562-E566 VanDerWaalsContact O-CB 3.26Å; R562-E566 WeakPolarHBondContact O-CB 3.39Å; R562-E566 PolarHBondContact O-N 3.32Å; Q564-E566 VanDerWaalsContact C-N 3.27Å; Q564-E566 PolarHBondContact O-N 3.24Å; E566-E569 PolarHBondContact O-N 3.03Å; E566-Q570 WeakPolarHBondContact O-CB 3.33Å; E566-Q570 VanDerWaalsContact O-CG 3.27Å; E566-Q570 WeakPolarHBondContact O-CG 3.26Å; E566-Q570 PolarHBondContact O-N 2.67Å
567R92.6Very high91.4Very high134 Ų134117.8 Ų117.851%0.50652%0.524SS..Hα-helixtrans-65.8-38.8172.5-73.1-179.3-175.595.5-3.5112.6E563 Q564 L571E563-R567 WeakPolarHBondContact O-CG 3.38Å; E563-R567 PolarHBondContact O-N 3.2Å; E563-R567 PolarHBondContact O-NH1 2.85Å; E563-R567 VanDerWaalsContact O-NH1 3.15Å; E563-R567 IonicContact OE1-CZ 3.23Å; E563-R567 VanDerWaalsContact OE1-CZ 3.23Å; E563-R567 IonicContact OE1-NH1 2.77Å; E563-R567 PolarHBondContact OE1-NH1 2.83Å; E563-R567 IonicContact OE1-NH2 2.77Å; E563-R567 PolarHBondContact OE1-NH2 3.08Å; Q564-R567 PolarHBondContact O-N 3.49Å; R567-L571 WeakPolarHBondContact O-CG 3.43Å; R567-L571 PolarHBondContact O-N 2.88Å
568E89.6Confident91.3Very high138 Ų138118 Ų11865%0.64552%0.523SS*.Hα-helixtrans-65.1-41.3174.1-170.5-175.1173.800111.6Q564 K565 L571 R572Q564-E568 PolarHBondContact O-N 2.88Å; K565-E568 PolarHBondContact O-N 3.4Å; E568-L571 PolarHBondContact O-N 3.42Å; E568-R572 WeakPolarHBondContact O-CB 3.48Å; E568-R572 PolarHBondContact O-N 2.98Å
569E91.9Very high90.9Very high94 Ų94117.4 Ų117.444%0.43953%0.526SS..Hα-helixtrans-67.7-39.2178.7-167.5150-146.100111K565 E566 R572 I573K565-E569 IonicContact NZ-OE1 2.72Å; K565-E569 PolarHBondContact NZ-OE1 2.95Å; K565-E569 IonicContact NZ-OE2 2.72Å; K565-E569 PolarHBondContact NZ-OE2 3Å; K565-E569 WeakPolarHBondContact O-CB 3.37Å; K565-E569 PolarHBondContact O-N 2.95Å; E566-E569 PolarHBondContact O-N 3.03Å; E569-R572 PolarHBondContact O-N 2.89Å; E569-I573 HydrophobicContact CG-CD1 4.47Å; E569-I573 WeakPolarHBondContact O-CD1 3.44Å; E569-I573 VanDerWaalsContact O-CG1 3.24Å; E569-I573 WeakPolarHBondContact O-CG1 3.19Å; E569-I573 PolarHBondContact O-N 3.21Å
570Q93.4Very high90.8Very high102 Ų102115.6 Ų115.648%0.47752%0.519SS..Hα-helixtrans-62.4-47.9170.2-73.5171.813.600112.6E566 R572 I573 Q574E566-Q570 WeakPolarHBondContact O-CB 3.33Å; E566-Q570 VanDerWaalsContact O-CG 3.27Å; E566-Q570 WeakPolarHBondContact O-CG 3.26Å; E566-Q570 PolarHBondContact O-N 2.67Å; Q570-R572 VanDerWaalsContact C-N 3.26Å; Q570-R572 PolarHBondContact O-N 3.11Å; Q570-I573 PolarHBondContact O-N 3.49Å; Q570-Q574 WeakPolarHBondContact O-CG 3.39Å; Q570-Q574 PolarHBondContact O-N 3.37Å
571L93.6Very high90.6Very high99 Ų99116.6 Ų116.652%0.51852%0.521SS..Hα-helixtrans-64.7-30.8176.7-74.2172000112.6R567 E568 K575R567-L571 WeakPolarHBondContact O-CG 3.43Å; R567-L571 PolarHBondContact O-N 2.88Å; E568-L571 PolarHBondContact O-N 3.42Å; L571-K575 WeakPolarHBondContact O-CG 3.36Å; L571-K575 PolarHBondContact O-N 3.22Å
572R93.1Very high90.9Very high168 Ų168118.3 Ų118.363%0.63452%0.521SS*.Hα-helixtrans-69.1-45.8172.3178.5-180165.1173.4-3.6111.4E568 E569 Q570 Q574 K575 E576E568-R572 WeakPolarHBondContact O-CB 3.48Å; E568-R572 PolarHBondContact O-N 2.98Å; E569-R572 PolarHBondContact O-N 2.89Å; Q570-R572 VanDerWaalsContact C-N 3.26Å; Q570-R572 PolarHBondContact O-N 3.11Å; R572-Q574 VanDerWaalsContact C-N 3.33Å; R572-Q574 PolarHBondContact O-N 2.92Å; R572-K575 PolarHBondContact O-N 3.33Å; R572-E576 IonicContact NE-OE2 3.17Å; R572-E576 IonicContact NH2-OE2 2.62Å; R572-E576 WeakPolarHBondContact O-CB 3.37Å; R572-E576 PolarHBondContact O-N 2.8Å
573I92.4Very high91Very high101 Ų101116.3 Ų116.352%0.51852%0.517SS..Hα-helixtrans-59.9-43.5177.9-71161.8000110.7E569 Q570 K575 E576 E577E569-I573 HydrophobicContact CG-CD1 4.47Å; E569-I573 WeakPolarHBondContact O-CD1 3.44Å; E569-I573 VanDerWaalsContact O-CG1 3.24Å; E569-I573 WeakPolarHBondContact O-CG1 3.19Å; E569-I573 PolarHBondContact O-N 3.21Å; Q570-I573 PolarHBondContact O-N 3.49Å; I573-K575 VanDerWaalsContact C-N 3.35Å; I573-K575 PolarHBondContact O-N 2.81Å; I573-E576 PolarHBondContact O-N 3.16Å; I573-E577 WeakPolarHBondContact O-CB 3.46Å; I573-E577 PolarHBondContact O-N 2.81Å
574Q91.8Very high90.7Very high124 Ų124119.8 Ų119.858%0.57953%0.533SS*.Hα-helixtrans-58.6-43.5175.4-72.9176.5-5.700112.5Q570 R572 E577 E578Q570-Q574 WeakPolarHBondContact O-CG 3.39Å; Q570-Q574 PolarHBondContact O-N 3.37Å; R572-Q574 VanDerWaalsContact C-N 3.33Å; R572-Q574 PolarHBondContact O-N 2.92Å; Q574-E577 PolarHBondContact O-N 2.78Å; Q574-E578 PolarHBondContact O-N 3.2Å
575K91.9Very high90.7Very high146 Ų146120.2 Ų120.264%0.63554%0.535SS*.Hα-helixtrans-69.9-37.5177-72.2174.8-178.8179.90113.1L571 R572 I573 E577 E578 E579L571-K575 WeakPolarHBondContact O-CG 3.36Å; L571-K575 PolarHBondContact O-N 3.22Å; R572-K575 PolarHBondContact O-N 3.33Å; I573-K575 VanDerWaalsContact C-N 3.35Å; I573-K575 PolarHBondContact O-N 2.81Å; K575-E577 VanDerWaalsContact C-N 3.29Å; K575-E578 PolarHBondContact O-N 3.29Å; K575-E579 WeakPolarHBondContact O-CB 3.4Å; K575-E579 PolarHBondContact O-N 3.32Å
576E89.1Confident90.3Very high115 Ų115121.6 Ų121.654%0.53754%0.543SS..Hα-helixtrans-68.3-31176.7-164.2168.6144.700111.1R572 I573 R580R572-E576 IonicContact NE-OE2 3.17Å; R572-E576 IonicContact NH2-OE2 2.62Å; R572-E576 WeakPolarHBondContact O-CB 3.37Å; R572-E576 PolarHBondContact O-N 2.8Å; I573-E576 PolarHBondContact O-N 3.16Å; E576-R580 WeakPolarHBondContact O-CB 3.44Å; E576-R580 PolarHBondContact O-N 2.87Å
577E88.3Confident90.1Very high83 Ų83122.8 Ų122.839%0.38855%0.549SS..Hα-helixtrans-75.6-40.7172.3-173.7139.3-111.800113I573 Q574 K575 R580 Q581I573-E577 WeakPolarHBondContact O-CB 3.46Å; I573-E577 PolarHBondContact O-N 2.81Å; Q574-E577 PolarHBondContact O-N 2.78Å; K575-E577 VanDerWaalsContact C-N 3.29Å; E577-R580 WeakPolarHBondContact O-CB 3.44Å; E577-R580 PolarHBondContact O-N 2.9Å; E577-R580 IonicContact OE1-CZ 2.66Å; E577-R580 IonicContact OE1-NH1 2.65Å; E577-R580 PolarHBondContact OE1-NH1 3.28Å; E577-R580 IonicContact OE1-NH2 2.83Å; E577-R580 PolarHBondContact OE1-NH2 3.48Å; E577-Q581 WeakPolarHBondContact O-CG 3.28Å; E577-Q581 PolarHBondContact O-N 2.94Å
578E88.9Confident90.2Very high89 Ų89123.6 Ų123.642%0.41655%0.552SS.*Hα-helixtrans-63.9-42.4172.3-164.1-160.8147.700111.6Q574 K575 R580 Q581 R582Q574-E578 PolarHBondContact O-N 3.2Å; K575-E578 PolarHBondContact O-N 3.29Å; E578-R580 VanDerWaalsContact C-N 3.32Å; E578-R580 PolarHBondContact O-N 2.85Å; E578-Q581 PolarHBondContact O-N 2.81Å; E578-R582 WeakPolarHBondContact O-CG 3.47Å; E578-R582 PolarHBondContact O-N 3.41Å; E578-R582 IonicContact OE1-CZ 3.16Å; E578-R582 IonicContact OE1-NE 2.72Å; E578-R582 PolarHBondContact OE1-NE 3.19Å; E578-R582 IonicContact OE1-NH2 2.68Å; E578-R582 PolarHBondContact OE1-NH2 2.9Å
579E86.4Confident90.5Very high128 Ų128122.5 Ų122.560%0.59855%0.55SS*.Hα-helixtrans-62.5-39.7174.1-169.4-174.6144.700111K575 K583K575-E579 WeakPolarHBondContact O-CB 3.4Å; K575-E579 PolarHBondContact O-N 3.32Å; E579-K583 WeakPolarHBondContact O-CB 3.44Å; E579-K583 PolarHBondContact O-N 2.86Å; E579-K583 VanDerWaalsContact O-N 3.08Å
580R92.4Very high90.5Very high129 Ų129120.4 Ų120.449%0.48755%0.549SS..Hα-helixtrans-61.4-46.2174.6-166.8-174.978.3-124.6-0.3111.5E576 E577 E578 K583 E584E576-R580 WeakPolarHBondContact O-CB 3.44Å; E576-R580 PolarHBondContact O-N 2.87Å; E577-R580 WeakPolarHBondContact O-CB 3.44Å; E577-R580 PolarHBondContact O-N 2.9Å; E577-R580 IonicContact OE1-CZ 2.66Å; E577-R580 IonicContact OE1-NH1 2.65Å; E577-R580 PolarHBondContact OE1-NH1 3.28Å; E577-R580 IonicContact OE1-NH2 2.83Å; E577-R580 PolarHBondContact OE1-NH2 3.48Å; E578-R580 VanDerWaalsContact C-N 3.32Å; E578-R580 PolarHBondContact O-N 2.85Å; R580-K583 PolarHBondContact O-N 2.87Å; R580-E584 WeakPolarHBondContact O-CB 3.45Å; R580-E584 PolarHBondContact O-N 2.95Å
581Q88.3Confident90.3Very high106 Ų106120.4 Ų120.450%0.49555%0.549SS..Hα-helixtrans-62.7-52.6178.8-74.5174.6-10.700111.9E577 E578 K583 E584 E585E577-Q581 WeakPolarHBondContact O-CG 3.28Å; E577-Q581 PolarHBondContact O-N 2.94Å; E578-Q581 PolarHBondContact O-N 2.81Å; Q581-K583 PolarHBondContact O-N 2.95Å; Q581-K583 VanDerWaalsContact O-N 3.17Å; Q581-E584 PolarHBondContact O-N 3.32Å; Q581-E584 VanDerWaalsContact O-N 3.1Å; Q581-E585 PolarHBondContact O-N 3.2Å
582R92.1Very high89.8Confident161 Ų161121 Ų12161%0.60855%0.549SS*.Hα-helixtrans-55.4-36.6177.5-71.8175.4-179.8-105.35.4112.6E578 E586E578-R582 WeakPolarHBondContact O-CG 3.47Å; E578-R582 PolarHBondContact O-N 3.41Å; E578-R582 IonicContact OE1-CZ 3.16Å; E578-R582 IonicContact OE1-NE 2.72Å; E578-R582 PolarHBondContact OE1-NE 3.19Å; E578-R582 IonicContact OE1-NH2 2.68Å; E578-R582 PolarHBondContact OE1-NH2 2.9Å; R582-E586 WeakPolarHBondContact O-CB 3.23Å; R582-E586 PolarHBondContact O-N 2.59Å
583K90.8Very high89.7Confident127 Ų127115.1 Ų115.155%0.55254%0.536SS*.Hα-helixtrans-75.8-34.8179.8-172.1173.3-169.6163.70113.2E579 R580 Q581 E586 E587E579-K583 WeakPolarHBondContact O-CB 3.44Å; E579-K583 PolarHBondContact O-N 2.86Å; E579-K583 VanDerWaalsContact O-N 3.08Å; R580-K583 PolarHBondContact O-N 2.87Å; Q581-K583 PolarHBondContact O-N 2.95Å; Q581-K583 VanDerWaalsContact O-N 3.17Å; K583-E586 PolarHBondContact O-N 3.06Å; K583-E587 WeakPolarHBondContact O-CB 3.48Å; K583-E587 PolarHBondContact O-N 3.3Å
584E85.6Confident89.7Confident122 Ų122118.6 Ų118.657%0.5754%0.542SS*.Hα-helixtrans-67.8-39.5172.3-169168173.900110.6R580 Q581 E587 R588R580-E584 WeakPolarHBondContact O-CB 3.45Å; R580-E584 PolarHBondContact O-N 2.95Å; Q581-E584 PolarHBondContact O-N 3.32Å; Q581-E584 VanDerWaalsContact O-N 3.1Å; E584-E587 PolarHBondContact O-N 3.45Å; E584-R588 WeakPolarHBondContact O-CB 3.48Å; E584-R588 WeakPolarHBondContact O-CG 3.39Å; E584-R588 PolarHBondContact O-N 2.89Å
585E87.2Confident89.8Confident140 Ų140118.3 Ų118.365%0.65455%0.545SS*.Hα-helixtrans-64.9-42170.7-69.3-177153.300112.8Q581 R588 L589Q581-E585 PolarHBondContact O-N 3.2Å; E585-R588 PolarHBondContact O-N 3.45Å; E585-L589 WeakPolarHBondContact O-CB 3.35Å; E585-L589 PolarHBondContact O-N 3.27Å
586E85.9Confident89.9Confident141 Ų141117.8 Ų117.866%0.65954%0.542SS*.Hα-helixtrans-62.9-42.9174.7-171.9-176.9179.700111.6R582 K583 L589 A590R582-E586 WeakPolarHBondContact O-CB 3.23Å; R582-E586 PolarHBondContact O-N 2.59Å; K583-E586 PolarHBondContact O-N 3.06Å; E586-L589 PolarHBondContact O-N 3.07Å; E586-A590 VanDerWaalsContact O-CB 3.26Å; E586-A590 WeakPolarHBondContact O-CB 3.26Å; E586-A590 PolarHBondContact O-N 2.96Å
587E87.3Confident89.8Confident132 Ų132120.7 Ų120.762%0.61755%0.548SS*.Hα-helixtrans-65.9-41.8176.9-170.3156.2-14600111.2K583 E584 A590 E591K583-E587 WeakPolarHBondContact O-CB 3.48Å; K583-E587 PolarHBondContact O-N 3.3Å; E584-E587 PolarHBondContact O-N 3.45Å; E587-A590 PolarHBondContact O-N 3.34Å; E587-E591 WeakPolarHBondContact O-CG 3.42Å; E587-E591 PolarHBondContact O-N 2.64Å
588R94.3Very high89.9Confident151 Ų151121.2 Ų121.257%0.5755%0.553SS**Hα-helixtrans-58.9-47.7172.5-77.4-70.3-58.7148.95.9112.8E584 E585 A590 E591 E592E584-R588 WeakPolarHBondContact O-CB 3.48Å; E584-R588 WeakPolarHBondContact O-CG 3.39Å; E584-R588 PolarHBondContact O-N 2.89Å; E585-R588 PolarHBondContact O-N 3.45Å; R588-A590 VanDerWaalsContact C-N 3.32Å; R588-A590 PolarHBondContact O-N 3.12Å; R588-E591 PolarHBondContact O-N 2.92Å; R588-E592 PolarHBondContact O-N 2.89Å
589L96.3Very high89.9Confident114 Ų114123.1 Ų123.160%0.59756%0.562SS**Hα-helixtrans-65.5-36.1177.8-176.263.8000111.6E585 E586 A593E585-L589 WeakPolarHBondContact O-CB 3.35Å; E585-L589 PolarHBondContact O-N 3.27Å; E586-L589 PolarHBondContact O-N 3.07Å; L589-A593 VanDerWaalsContact O-CB 3.28Å; L589-A593 WeakPolarHBondContact O-CB 3.49Å; L589-A593 PolarHBondContact O-N 3.47Å
590A92Very high89.9Confident50 Ų50122.6 Ų122.641%0.41356%0.56SS.*Hα-helixtrans-69.1-35.8175.100000112.8E586 E587 R588 R594E586-A590 VanDerWaalsContact O-CB 3.26Å; E586-A590 WeakPolarHBondContact O-CB 3.26Å; E586-A590 PolarHBondContact O-N 2.96Å; E587-A590 PolarHBondContact O-N 3.34Å; R588-A590 VanDerWaalsContact C-N 3.32Å; R588-A590 PolarHBondContact O-N 3.12Å; A590-R594 WeakPolarHBondContact O-CG 3.25Å; A590-R594 PolarHBondContact O-N 2.79Å
591E88.9Confident89.5Confident103 Ų103122.7 Ų122.748%0.48157%0.565SS.*Hα-helixtrans-66.8-46.4171.9-73.8-164.8143.200111.8E587 R588 A593 R594 L595E587-E591 WeakPolarHBondContact O-CG 3.42Å; E587-E591 PolarHBondContact O-N 2.64Å; R588-E591 PolarHBondContact O-N 2.92Å; E591-A593 PolarHBondContact O-N 2.66Å; E591-R594 WeakPolarHBondContact O-CB 3.27Å; E591-R594 PolarHBondContact O-N 2.83Å; E591-R594 VanDerWaalsContact O-N 3.07Å; E591-L595 PolarHBondContact O-N 3.45Å
592E84.2Confident89.7Confident112 Ų112124.9 Ų124.952%0.52357%0.573SS.*Hα-helixtrans-59.3-46.6176.4-169.3-174.1133.100111.5R588 R594 L595 K596R588-E592 PolarHBondContact O-N 2.89Å; E592-R594 PolarHBondContact O-N 3.37Å; E592-L595 PolarHBondContact O-N 2.94Å; E592-L595 VanDerWaalsContact O-N 3.16Å; E592-K596 WeakPolarHBondContact O-CB 3.46Å; E592-K596 PolarHBondContact O-N 3.29Å
593A89.9Confident89.8Confident43 Ų43125.5 Ų125.536%0.35558%0.576SS.*Hα-helixtrans-63-24.2176.300000113.5L589 E591 R597L589-A593 VanDerWaalsContact O-CB 3.28Å; L589-A593 WeakPolarHBondContact O-CB 3.49Å; L589-A593 PolarHBondContact O-N 3.47Å; E591-A593 PolarHBondContact O-N 2.66Å; A593-R597 WeakPolarHBondContact O-CG 3.45Å; A593-R597 PolarHBondContact O-N 3Å
594R92.2Very high89.9Confident174 Ų174123.4 Ų123.466%0.65757%0.57SS**Hα-helixtrans-82.2-38.5173.4-72.9174.575.9-167.82.3112.2A590 E591 E592 R597 L598A590-R594 WeakPolarHBondContact O-CG 3.25Å; A590-R594 PolarHBondContact O-N 2.79Å; E591-R594 WeakPolarHBondContact O-CB 3.27Å; E591-R594 PolarHBondContact O-N 2.83Å; E591-R594 VanDerWaalsContact O-N 3.07Å; E592-R594 PolarHBondContact O-N 3.37Å; R594-R597 PolarHBondContact O-N 2.79Å; R594-L598 WeakPolarHBondContact O-CG 3.3Å; R594-L598 PolarHBondContact O-N 3.17Å
595L93.2Very high90Very high119 Ų119120.4 Ų120.462%0.62357%0.566SS**Hα-helixtrans-61.8-48.3172.3-71.5171.2000110.8E591 E592 R597 L598 E599E591-L595 PolarHBondContact O-N 3.45Å; E592-L595 PolarHBondContact O-N 2.94Å; E592-L595 VanDerWaalsContact O-N 3.16Å; L595-R597 VanDerWaalsContact C-N 3.3Å; L595-R597 PolarHBondContact O-N 3.26Å; L595-L598 PolarHBondContact O-N 2.86Å; L595-E599 PolarHBondContact O-N 2.98Å
596K94Very high90.1Very high135 Ų135119.5 Ų119.559%0.58756%0.562SS**Hα-helixtrans-58.4-38.3178.7-169.4166.5-173.1165.70113.1E592 E599 E600E592-K596 WeakPolarHBondContact O-CB 3.46Å; E592-K596 PolarHBondContact O-N 3.29Å; K596-E599 PolarHBondContact O-N 3.5Å; K596-E600 WeakPolarHBondContact O-CB 3.46Å; K596-E600 PolarHBondContact O-N 3.4Å
597R87.9Confident90.2Very high176 Ų176117 Ų11766%0.66455%0.551SS**Hα-helixtrans-67.2-37.6173.4-77.9176.4179.9162.84.8113.3A593 R594 L595 E599 E601A593-R597 WeakPolarHBondContact O-CG 3.45Å; A593-R597 PolarHBondContact O-N 3Å; R594-R597 PolarHBondContact O-N 2.79Å; L595-R597 VanDerWaalsContact C-N 3.3Å; L595-R597 PolarHBondContact O-N 3.26Å; R597-E599 VanDerWaalsContact C-N 3.33Å; R597-E601 VanDerWaalsContact O-CB 3.26Å; R597-E601 WeakPolarHBondContact O-CB 3.45Å; R597-E601 PolarHBondContact O-N 3.11Å
598L90.4Very high90.3Very high94 Ų94119.5 Ų119.549%0.49255%0.554SS.*Hα-helixtrans-72.7-28.2176.4-68.7165.6000111.9R594 L595 K602R594-L598 WeakPolarHBondContact O-CG 3.3Å; R594-L598 PolarHBondContact O-N 3.17Å; L595-L598 PolarHBondContact O-N 2.86Å; L598-K602 WeakPolarHBondContact O-CB 3.43Å; L598-K602 WeakPolarHBondContact O-CD 3.34Å; L598-K602 WeakPolarHBondContact O-CG 3.49Å; L598-K602 PolarHBondContact O-N 2.85Å; L598-K602 VanDerWaalsContact O-N 3.09Å
599E88.4Confident90.2Very high128 Ų128118.2 Ų118.260%0.59855%0.553SS**Hα-helixtrans-72.7-44.6171.5-174.8175-157.700111.8L595 K596 R597 K602 R603L595-E599 PolarHBondContact O-N 2.98Å; K596-E599 PolarHBondContact O-N 3.5Å; R597-E599 VanDerWaalsContact C-N 3.33Å; E599-K602 WeakPolarHBondContact O-CB 3.5Å; E599-K602 PolarHBondContact O-N 3.25Å; E599-R603 PolarHBondContact O-N 3.39Å
600E86.8Confident90.1Very high118 Ų118116.8 Ų116.855%0.55155%0.549SS*.Hα-helixtrans-61-44.8173.1-171.9-178.4174.300111.7K596 K602 R603 L604K596-E600 WeakPolarHBondContact O-CB 3.46Å; K596-E600 PolarHBondContact O-N 3.4Å; E600-K602 VanDerWaalsContact C-N 3.33Å; E600-K602 PolarHBondContact O-N 3.45Å; E600-R603 PolarHBondContact O-N 2.95Å; E600-L604 HydrophobicContact CG-CD1 4.33Å; E600-L604 WeakPolarHBondContact O-CB 3.4Å; E600-L604 WeakPolarHBondContact O-CG 3.2Å; E600-L604 PolarHBondContact O-N 2.65Å
601E84.3Confident90.1Very high130 Ų130119.5 Ų119.561%0.60755%0.551SS**Hα-helixtrans-62.1-38.5174.6-175.3170.8-159.600112R597 A605R597-E601 VanDerWaalsContact O-CB 3.26Å; R597-E601 WeakPolarHBondContact O-CB 3.45Å; R597-E601 PolarHBondContact O-N 3.11Å; E601-A605 WeakPolarHBondContact O-CB 3.47Å; E601-A605 PolarHBondContact O-N 3.38Å
602K92.1Very high90.1Very high152 Ų152121.5 Ų121.566%0.66156%0.561SS**Hα-helixtrans-64.8-47.2172.8-79.8170.7-179.1-177.40112.3L598 E599 E600 L604 A605 E606L598-K602 WeakPolarHBondContact O-CB 3.43Å; L598-K602 WeakPolarHBondContact O-CD 3.34Å; L598-K602 WeakPolarHBondContact O-CG 3.49Å; L598-K602 PolarHBondContact O-N 2.85Å; L598-K602 VanDerWaalsContact O-N 3.09Å; E599-K602 WeakPolarHBondContact O-CB 3.5Å; E599-K602 PolarHBondContact O-N 3.25Å; E600-K602 VanDerWaalsContact C-N 3.33Å; E600-K602 PolarHBondContact O-N 3.45Å; K602-L604 VanDerWaalsContact C-N 3.3Å; K602-L604 PolarHBondContact O-N 3.09Å; K602-A605 WeakPolarHBondContact O-CB 3.36Å; K602-A605 PolarHBondContact O-N 3.38Å; K602-A605 VanDerWaalsContact O-N 3.11Å; K602-E606 WeakPolarHBondContact O-CB 3.42Å; K602-E606 PolarHBondContact O-N 2.85Å
603R95.2Very high90.3Very high174 Ų174121.3 Ų121.366%0.65756%0.559SS**Hα-helixtrans-60.2-40.3177-74.8-142.870.1-158.8-2.4111.9E599 E600 A605 E606 E607E599-R603 PolarHBondContact O-N 3.39Å; E600-R603 PolarHBondContact O-N 2.95Å; R603-A605 VanDerWaalsContact C-N 3.33Å; R603-A605 PolarHBondContact O-N 3.46Å; R603-E606 PolarHBondContact O-N 2.88Å; R603-E607 VanDerWaalsContact O-CB 3.29Å; R603-E607 WeakPolarHBondContact O-CB 3.35Å; R603-E607 PolarHBondContact O-N 2.93Å
604L91.3Very high90.3Very high84 Ų84125.6 Ų125.644%0.4457%0.572SS.*Hα-helixtrans-69.7-28.1175.9-70.8170.4000113.2E600 K602 R608E600-L604 HydrophobicContact CG-CD1 4.33Å; E600-L604 WeakPolarHBondContact O-CB 3.4Å; E600-L604 WeakPolarHBondContact O-CG 3.2Å; E600-L604 PolarHBondContact O-N 2.65Å; K602-L604 VanDerWaalsContact C-N 3.3Å; K602-L604 PolarHBondContact O-N 3.09Å; L604-R608 WeakPolarHBondContact O-CB 3.46Å; L604-R608 WeakPolarHBondContact O-CD 3.34Å; L604-R608 WeakPolarHBondContact O-CG 3.32Å; L604-R608 PolarHBondContact O-N 3.47Å
605A88.2Confident90.2Very high59 Ų59124.3 Ų124.349%0.48857%0.574SS.*Hα-helixtrans-75.1-40.1171.900000112E601 K602 R603 R608 K609E601-A605 WeakPolarHBondContact O-CB 3.47Å; E601-A605 PolarHBondContact O-N 3.38Å; K602-A605 WeakPolarHBondContact O-CB 3.36Å; K602-A605 PolarHBondContact O-N 3.38Å; K602-A605 VanDerWaalsContact O-N 3.11Å; R603-A605 VanDerWaalsContact C-N 3.33Å; R603-A605 PolarHBondContact O-N 3.46Å; A605-R608 PolarHBondContact O-N 3.4Å; A605-K609 PolarHBondContact O-N 2.88Å
606E89Confident90.2Very high120 Ų120121.4 Ų121.456%0.56157%0.567SS**Hα-helixtrans-65.5-48.2175.7-177175.7-143.600111.7K602 R603 R608 K609 V610K602-E606 WeakPolarHBondContact O-CB 3.42Å; K602-E606 PolarHBondContact O-N 2.85Å; R603-E606 PolarHBondContact O-N 2.88Å; E606-R608 VanDerWaalsContact C-N 3.26Å; E606-R608 PolarHBondContact O-N 2.95Å; E606-K609 WeakPolarHBondContact O-CB 3.43Å; E606-K609 PolarHBondContact O-N 3.15Å; E606-V610 WeakPolarHBondContact O-CG2 3.45Å; E606-V610 PolarHBondContact O-N 3.33Å
607E88.2Confident90.2Very high90 Ų90122.9 Ų122.942%0.42157%0.569SS.*Hα-helixtrans-58.4-38.1175.6-169.9-160.4138.300111.9R603 K611R603-E607 VanDerWaalsContact O-CB 3.29Å; R603-E607 WeakPolarHBondContact O-CB 3.35Å; R603-E607 PolarHBondContact O-N 2.93Å; E607-K611 HydrophobicContact CG-CD 4.43Å; E607-K611 WeakPolarHBondContact O-CG 3.19Å; E607-K611 PolarHBondContact O-N 2.93Å; E607-K611 VanDerWaalsContact O-N 3.12Å; E607-K611 IonicContact OE1-NZ 2.92Å; E607-K611 PolarHBondContact OE1-NZ 3.11Å
608R89.3Confident90.6Very high183 Ų183120 Ų12069%0.69157%0.566SS**Hα-helixtrans-67.8-42.7173.3-77.3174.3-175.7-170.53.8112.4L604 A605 E606 V610 K611 E612L604-R608 WeakPolarHBondContact O-CB 3.46Å; L604-R608 WeakPolarHBondContact O-CD 3.34Å; L604-R608 WeakPolarHBondContact O-CG 3.32Å; L604-R608 PolarHBondContact O-N 3.47Å; A605-R608 PolarHBondContact O-N 3.4Å; E606-R608 VanDerWaalsContact C-N 3.26Å; E606-R608 PolarHBondContact O-N 2.95Å; R608-V610 VanDerWaalsContact C-N 3.35Å; R608-K611 PolarHBondContact O-N 3.37Å; R608-E612 WeakPolarHBondContact O-CB 3.41Å; R608-E612 PolarHBondContact O-N 2.93Å
609K93.3Very high90.7Very high124 Ų124117.6 Ų117.654%0.53956%0.56SS.*Hα-helixtrans-61-44.6176.7-177.2-176.9174.8-67.70110.9A605 E606 K611 E612 E613A605-K609 PolarHBondContact O-N 2.88Å; E606-K609 WeakPolarHBondContact O-CB 3.43Å; E606-K609 PolarHBondContact O-N 3.15Å; K609-K611 VanDerWaalsContact C-N 3.33Å; K609-K611 PolarHBondContact O-N 3.35Å; K609-E612 PolarHBondContact O-N 2.93Å; K609-E613 IonicContact NZ-OE2 2.88Å; K609-E613 PolarHBondContact NZ-OE2 3.35Å; K609-E613 VanDerWaalsContact O-CB 3.23Å; K609-E613 WeakPolarHBondContact O-CB 3.46Å; K609-E613 PolarHBondContact O-N 2.9Å
610V93.4Very high90.7Very high85 Ų85116.5 Ų116.552%0.51556%0.555SS.*Hα-helixtrans-59.4-44.1176.2172.90000110.9E606 R608 E613 E614E606-V610 WeakPolarHBondContact O-CG2 3.45Å; E606-V610 PolarHBondContact O-N 3.33Å; R608-V610 VanDerWaalsContact C-N 3.35Å; V610-E613 PolarHBondContact O-N 3.4Å; V610-E614 WeakPolarHBondContact O-CB 3.46Å; V610-E614 PolarHBondContact O-N 2.89Å
611K92.9Very high91Very high106 Ų106116.4 Ų116.446%0.46155%0.554SS.*Hα-helixtrans-68.4-36.4178.1-72.8171178.5177.50113.6E607 R608 K609 E613 E615E607-K611 HydrophobicContact CG-CD 4.43Å; E607-K611 WeakPolarHBondContact O-CG 3.19Å; E607-K611 PolarHBondContact O-N 2.93Å; E607-K611 VanDerWaalsContact O-N 3.12Å; E607-K611 IonicContact OE1-NZ 2.92Å; E607-K611 PolarHBondContact OE1-NZ 3.11Å; R608-K611 PolarHBondContact O-N 3.37Å; K609-K611 VanDerWaalsContact C-N 3.33Å; K609-K611 PolarHBondContact O-N 3.35Å; K611-E613 VanDerWaalsContact C-N 3.33Å; K611-E615 VanDerWaalsContact O-CB 3.26Å; K611-E615 WeakPolarHBondContact O-CB 3.19Å; K611-E615 PolarHBondContact O-N 2.72Å
612E88.8Confident91.3Very high146 Ų146116.2 Ų116.268%0.68255%0.554SS**Hα-helixtrans-68.5-33.2173.8-172.3170.9-176.900111.5R608 K609 A616R608-E612 WeakPolarHBondContact O-CB 3.41Å; R608-E612 PolarHBondContact O-N 2.93Å; K609-E612 PolarHBondContact O-N 2.93Å; E612-A616 WeakPolarHBondContact O-CB 3.41Å; E612-A616 PolarHBondContact O-N 3.48Å
613E86.8Confident91.3Very high107 Ų107117.7 Ų117.750%0.556%0.555SS.*Hα-helixtrans-75.8-35.4175.8-166.3165.5159.300112.3K609 V610 K611 R617K609-E613 IonicContact NZ-OE2 2.88Å; K609-E613 PolarHBondContact NZ-OE2 3.35Å; K609-E613 VanDerWaalsContact O-CB 3.23Å; K609-E613 WeakPolarHBondContact O-CB 3.46Å; K609-E613 PolarHBondContact O-N 2.9Å; V610-E613 PolarHBondContact O-N 3.4Å; K611-E613 VanDerWaalsContact C-N 3.33Å; E613-R617 WeakPolarHBondContact O-CB 3.29Å; E613-R617 WeakPolarHBondContact O-CG 3.26Å; E613-R617 PolarHBondContact O-N 3.4Å
614E90.2Very high91.1Very high133 Ų133114.3 Ų114.362%0.62155%0.545SS*.Hα-helixtrans-68-47.6171.1-174-179.8-171.300111.8V610 A616 R617 L618V610-E614 WeakPolarHBondContact O-CB 3.46Å; V610-E614 PolarHBondContact O-N 2.89Å; E614-A616 VanDerWaalsContact C-N 3.3Å; E614-A616 PolarHBondContact O-N 3.18Å; E614-R617 PolarHBondContact O-N 3.15Å; E614-L618 PolarHBondContact O-N 3.02Å
615E90.1Very high91.4Very high147 Ų147118.6 Ų118.669%0.68756%0.555SS**Hα-helixtrans-61.5-38174.6-171.1171.9179.900111K611 A619K611-E615 VanDerWaalsContact O-CB 3.26Å; K611-E615 WeakPolarHBondContact O-CB 3.19Å; K611-E615 PolarHBondContact O-N 2.72Å; E615-A619 WeakPolarHBondContact O-CB 3.36Å; E615-A619 PolarHBondContact O-N 3.3Å
616A92.9Very high91.7Very high59 Ų59120.5 Ų120.549%0.48856%0.557SS.*Hα-helixtrans-67.5-40.3173.300000113.2E612 E614 A619 E620E612-A616 WeakPolarHBondContact O-CB 3.41Å; E612-A616 PolarHBondContact O-N 3.48Å; E614-A616 VanDerWaalsContact C-N 3.3Å; E614-A616 PolarHBondContact O-N 3.18Å; A616-A619 PolarHBondContact O-N 2.9Å; A616-E620 PolarHBondContact O-N 2.9Å
617R94.9Very high91.9Very high165 Ų165121.3 Ų121.362%0.62356%0.561SS**Hα-helixtrans-64.1-43.3175.1-85.7-14462.6-158.6-13.8112.2E613 E614 A619 E620 E621E613-R617 WeakPolarHBondContact O-CB 3.29Å; E613-R617 WeakPolarHBondContact O-CG 3.26Å; E613-R617 PolarHBondContact O-N 3.4Å; E614-R617 PolarHBondContact O-N 3.15Å; R617-A619 VanDerWaalsContact C-N 3.32Å; R617-A619 PolarHBondContact O-N 3.02Å; R617-E620 PolarHBondContact O-N 3.18Å; R617-E621 PolarHBondContact O-N 3.02Å
618L96.1Very high92Very high115 Ų115123.1 Ų123.160%0.60257%0.569SS**Hα-helixtrans-63.5-39.6176.6-172.466.4000111.4E614 E621 E622E614-L618 PolarHBondContact O-N 3.02Å; L618-E621 PolarHBondContact O-N 3.2Å; L618-E622 WeakPolarHBondContact O-CB 3.49Å; L618-E622 PolarHBondContact O-N 2.88Å
619A92.4Very high92.1Very high45 Ų45120 Ų12037%0.37256%0.563SS.*Hα-helixtrans-69-30.3174.900000113.4E615 A616 R617 R623E615-A619 WeakPolarHBondContact O-CB 3.36Å; E615-A619 PolarHBondContact O-N 3.3Å; A616-A619 PolarHBondContact O-N 2.9Å; R617-A619 VanDerWaalsContact C-N 3.32Å; R617-A619 PolarHBondContact O-N 3.02Å; A619-R623 WeakPolarHBondContact O-CB 3.32Å; A619-R623 VanDerWaalsContact O-CG 3.28Å; A619-R623 WeakPolarHBondContact O-CG 3.43Å; A619-R623 PolarHBondContact O-N 3.26Å
620E89.8Confident92Very high105 Ų105119 Ų11949%0.49156%0.559SS.*Hα-helixtrans-69.4-40.4171.1-165.9-170.6135.300111.3A616 R617 R623 K624A616-E620 PolarHBondContact O-N 2.9Å; R617-E620 PolarHBondContact O-N 3.18Å; E620-R623 PolarHBondContact O-N 3.14Å; E620-K624 WeakPolarHBondContact O-CG 3.45Å; E620-K624 PolarHBondContact O-N 2.86Å; E620-K624 VanDerWaalsContact OE1-CE 3.22Å; E620-K624 WeakPolarHBondContact OE1-CE 3.31Å; E620-K624 IonicContact OE1-NZ 2.6Å; E620-K624 PolarHBondContact OE1-NZ 2.91Å
621E91.3Very high92.1Very high115 Ų115117.4 Ų117.454%0.53756%0.556SS.*Hα-helixtrans-66.7-43.7177.6-165.9171.5137.600112.2R617 L618 R623 K624 R625R617-E621 PolarHBondContact O-N 3.02Å; L618-E621 PolarHBondContact O-N 3.2Å; E621-R623 VanDerWaalsContact C-N 3.31Å; E621-R623 PolarHBondContact O-N 3.17Å; E621-K624 PolarHBondContact O-N 3.5Å; E621-R625 PolarHBondContact O-N 3.03Å
622E91.8Very high92.3Very high126 Ų126116.3 Ų116.359%0.58956%0.558SS**Hα-helixtrans-58.7-42.1172.3-175.4-180-166.600111.5L618 R625 L626L618-E622 WeakPolarHBondContact O-CB 3.49Å; L618-E622 PolarHBondContact O-N 2.88Å; E622-R625 PolarHBondContact O-N 3.42Å; E622-L626 HydrophobicContact CG-CD1 4.39Å; E622-L626 WeakPolarHBondContact O-CG 3.44Å; E622-L626 PolarHBondContact O-N 3.08Å
623R91.9Very high92.7Very high184 Ų184116.6 Ų116.669%0.69455%0.552SS**Hα-helixtrans-67.4-39.8177.4-74.2-173.172.1-138.7-8.2112.9A619 E620 E621 L626 E627A619-R623 WeakPolarHBondContact O-CB 3.32Å; A619-R623 VanDerWaalsContact O-CG 3.28Å; A619-R623 WeakPolarHBondContact O-CG 3.43Å; A619-R623 PolarHBondContact O-N 3.26Å; E620-R623 PolarHBondContact O-N 3.14Å; E621-R623 VanDerWaalsContact C-N 3.31Å; E621-R623 PolarHBondContact O-N 3.17Å; R623-L626 PolarHBondContact O-N 3.48Å; R623-E627 WeakPolarHBondContact O-CB 3.42Å; R623-E627 PolarHBondContact O-N 3.43Å
624K91.4Very high92.8Very high102 Ų102116.2 Ų116.244%0.44355%0.551SS.*Hα-helixtrans-63.3-43.9173.6-75.9176.1-174167.30111.6E620 E621 L626 E627 E628E620-K624 WeakPolarHBondContact O-CG 3.45Å; E620-K624 PolarHBondContact O-N 2.86Å; E620-K624 VanDerWaalsContact OE1-CE 3.22Å; E620-K624 WeakPolarHBondContact OE1-CE 3.31Å; E620-K624 IonicContact OE1-NZ 2.6Å; E620-K624 PolarHBondContact OE1-NZ 2.91Å; E621-K624 PolarHBondContact O-N 3.5Å; K624-L626 VanDerWaalsContact C-N 3.3Å; K624-L626 PolarHBondContact O-N 3.3Å; K624-E627 CarbonylContact O-C 3.59Å; K624-E627 PolarHBondContact O-N 3.31Å; K624-E627 VanDerWaalsContact O-N 3.12Å; K624-E628 WeakPolarHBondContact O-CB 3.31Å; K624-E628 WeakPolarHBondContact O-CG 3.47Å; K624-E628 PolarHBondContact O-N 2.93Å
625R96Very high93Very high174 Ų174112.2 Ų112.266%0.65754%0.54SS*.Hα-helixtrans-59.7-39.6176.2-174.9-179.3170.2-150.7-9.4112.4E621 E622 E629E621-R625 PolarHBondContact O-N 3.03Å; E622-R625 PolarHBondContact O-N 3.42Å; R625-E629 WeakPolarHBondContact O-CB 3.4Å; R625-E629 PolarHBondContact O-N 3.43Å
626L94.8Very high93.3Very high99 Ų99111 Ų11152%0.51854%0.535SS..Hα-helixtrans-69.5-35.7175.3-71.3169.3000112.6E622 R623 K624 E630E622-L626 HydrophobicContact CG-CD1 4.39Å; E622-L626 WeakPolarHBondContact O-CG 3.44Å; E622-L626 PolarHBondContact O-N 3.08Å; R623-L626 PolarHBondContact O-N 3.48Å; K624-L626 VanDerWaalsContact C-N 3.3Å; K624-L626 PolarHBondContact O-N 3.3Å; L626-E630 WeakPolarHBondContact O-CB 3.37Å; L626-E630 PolarHBondContact O-N 2.94Å
627E92.8Very high93.3Very high138 Ų138112 Ų11265%0.64553%0.531SS*.Hα-helixtrans-68.5-39174.5-172.2166.2-16700111.6R623 K624 A631R623-E627 WeakPolarHBondContact O-CB 3.42Å; R623-E627 PolarHBondContact O-N 3.43Å; K624-E627 CarbonylContact O-C 3.59Å; K624-E627 PolarHBondContact O-N 3.31Å; K624-E627 VanDerWaalsContact O-N 3.12Å; E627-A631 WeakPolarHBondContact O-CB 3.35Å; E627-A631 PolarHBondContact O-N 2.91Å
628E91Very high93.2Very high127 Ų127110.3 Ų110.359%0.59353%0.53SS*.Hα-helixtrans-65.9-43.1171.3-72.8168.9-169.700112K624 A631 V632K624-E628 WeakPolarHBondContact O-CB 3.31Å; K624-E628 WeakPolarHBondContact O-CG 3.47Å; K624-E628 PolarHBondContact O-N 2.93Å; E628-A631 PolarHBondContact O-N 3.16Å; E628-V632 WeakPolarHBondContact O-CB 3.36Å; E628-V632 WeakPolarHBondContact O-CG2 3.35Å; E628-V632 PolarHBondContact O-N 3.3Å
629E92.4Very high93.2Very high119 Ų119111 Ų11156%0.55653%0.529SS*.Hα-helixtrans-64.3-41175.9-170.9177142.600111.4R625 R633R625-E629 WeakPolarHBondContact O-CB 3.4Å; R625-E629 PolarHBondContact O-N 3.43Å; E629-R633 WeakPolarHBondContact O-CB 3.48Å; E629-R633 PolarHBondContact O-N 3.02Å
630E90.8Very high93.2Very high101 Ų101115.4 Ų115.447%0.47254%0.542SS..Hα-helixtrans-66.9-42.4173.1-167.8177.6162.800111.7L626 V632 R633 Q634L626-E630 WeakPolarHBondContact O-CB 3.37Å; L626-E630 PolarHBondContact O-N 2.94Å; E630-V632 PolarHBondContact O-N 3.38Å; E630-R633 CarbonylContact O-C 3.55Å; E630-R633 WeakPolarHBondContact O-CB 3.4Å; E630-R633 PolarHBondContact O-N 3.17Å; E630-R633 VanDerWaalsContact O-N 3.13Å; E630-Q634 HydrophobicContact CG-CG 4.42Å; E630-Q634 WeakPolarHBondContact O-CG 3.47Å; E630-Q634 PolarHBondContact O-N 3.21Å; E630-Q634 PolarHBondContact OE1-NE2 3.42Å
631A95.2Very high93.3Very high53 Ų53119.3 Ų119.344%0.43855%0.552SS.*Hα-helixtrans-61.8-41.8176.900000112E627 E628 R633 Q634 A635E627-A631 WeakPolarHBondContact O-CB 3.35Å; E627-A631 PolarHBondContact O-N 2.91Å; E628-A631 PolarHBondContact O-N 3.16Å; A631-R633 VanDerWaalsContact C-N 3.33Å; A631-R633 PolarHBondContact O-N 3.46Å; A631-Q634 PolarHBondContact O-N 3.07Å; A631-A635 WeakPolarHBondContact O-CB 3.36Å; A631-A635 PolarHBondContact O-N 2.87Å
632V97.1Very high93.3Very high83 Ų83120.3 Ų120.350%0.50356%0.557SS.*Hα-helixtrans-61.6-41.2172.5167.80000110.9E628 E630 A635 Q636E628-V632 WeakPolarHBondContact O-CB 3.36Å; E628-V632 WeakPolarHBondContact O-CG2 3.35Å; E628-V632 PolarHBondContact O-N 3.3Å; E630-V632 PolarHBondContact O-N 3.38Å; V632-A635 PolarHBondContact O-N 3.07Å; V632-Q636 WeakPolarHBondContact O-CG 3.35Å; V632-Q636 PolarHBondContact O-N 2.99Å
633R96.4Very high93.3Very high151 Ų151120.4 Ų120.457%0.5756%0.557SS**Hα-helixtrans-66.6-37176.2-161.1-175.774.5115.22.8112.5E629 E630 A631 L637E629-R633 WeakPolarHBondContact O-CB 3.48Å; E629-R633 PolarHBondContact O-N 3.02Å; E630-R633 CarbonylContact O-C 3.55Å; E630-R633 WeakPolarHBondContact O-CB 3.4Å; E630-R633 PolarHBondContact O-N 3.17Å; E630-R633 VanDerWaalsContact O-N 3.13Å; A631-R633 VanDerWaalsContact C-N 3.33Å; A631-R633 PolarHBondContact O-N 3.46Å; R633-L637 WeakPolarHBondContact O-CG 3.45Å; R633-L637 PolarHBondContact O-N 2.94Å
634Q90Very high93.2Very high99 Ų99114.5 Ų114.546%0.46355%0.548SS..Hα-helixtrans-68.6-40.7173.6-68.9-175.826.700111.3E630 A631 L637 Q638E630-Q634 HydrophobicContact CG-CG 4.42Å; E630-Q634 WeakPolarHBondContact O-CG 3.47Å; E630-Q634 PolarHBondContact O-N 3.21Å; E630-Q634 PolarHBondContact OE1-NE2 3.42Å; A631-Q634 PolarHBondContact O-N 3.07Å; Q634-L637 PolarHBondContact O-N 3.43Å; Q634-Q638 WeakPolarHBondContact O-CG 3.45Å; Q634-Q638 PolarHBondContact O-N 3.44Å
635A93.6Very high93.2Very high49 Ų49115.9 Ų115.941%0.40556%0.556SS.*Hα-helixtrans-65.6-36175.600000112.6A631 V632 Q638 K639A631-A635 WeakPolarHBondContact O-CB 3.36Å; A631-A635 PolarHBondContact O-N 2.87Å; V632-A635 PolarHBondContact O-N 3.07Å; A635-Q638 PolarHBondContact O-N 2.62Å; A635-K639 WeakPolarHBondContact O-CB 3.46Å; A635-K639 PolarHBondContact O-N 3.31Å
636Q95.9Very high93Very high122 Ų122110.3 Ų110.357%0.5755%0.547SS*.Hα-helixtrans-61.7-45.7170.7-76.3174.6-1.700111.6V632 Q638 K639 E640V632-Q636 WeakPolarHBondContact O-CG 3.35Å; V632-Q636 PolarHBondContact O-N 2.99Å; Q636-Q638 VanDerWaalsContact C-N 3.3Å; Q636-Q638 PolarHBondContact O-N 2.89Å; Q636-K639 PolarHBondContact O-N 3.4Å; Q636-E640 PolarHBondContact O-N 2.92Å
637L94Very high93.1Very high80 Ų80112.4 Ų112.442%0.41955%0.552SS.*Hα-helixtrans-68.5-25.9176.7-69.6169.3000113.5R633 Q634 R641R633-L637 WeakPolarHBondContact O-CG 3.45Å; R633-L637 PolarHBondContact O-N 2.94Å; Q634-L637 PolarHBondContact O-N 3.43Å; L637-R641 WeakPolarHBondContact O-CD 3.42Å; L637-R641 VanDerWaalsContact O-CG 3.32Å; L637-R641 WeakPolarHBondContact O-CG 3.28Å
638Q91.5Very high93Very high129 Ų129108.5 Ų108.560%0.60354%0.543SS*.Hα-helixtrans-72.8-45.5168.7-75.5176.9-16.700110.8Q634 A635 Q636 E640 R641 E642Q634-Q638 WeakPolarHBondContact O-CG 3.45Å; Q634-Q638 PolarHBondContact O-N 3.44Å; A635-Q638 PolarHBondContact O-N 2.62Å; Q636-Q638 VanDerWaalsContact C-N 3.3Å; Q636-Q638 PolarHBondContact O-N 2.89Å; Q638-E640 PolarHBondContact O-N 3.29Å; Q638-R641 WeakPolarHBondContact O-CA 3.45Å; Q638-R641 WeakPolarHBondContact O-CB 3.2Å; Q638-R641 PolarHBondContact O-N 2.93Å; Q638-E642 PolarHBondContact O-N 2.94Å
639K96.1Very high93.2Very high131 Ų131107.9 Ų107.957%0.5754%0.543SS*.Hα-helixtrans-62.7-40178.3-172.4178.6176.7-176.20112.7A635 Q636 R641 E642 E643A635-K639 WeakPolarHBondContact O-CB 3.46Å; A635-K639 PolarHBondContact O-N 3.31Å; Q636-K639 PolarHBondContact O-N 3.4Å; K639-R641 PolarHBondContact O-N 2.89Å; K639-E642 PolarHBondContact O-N 3Å; K639-E643 VanDerWaalsContact O-CB 3.23Å; K639-E643 WeakPolarHBondContact O-CB 3.3Å; K639-E643 PolarHBondContact O-N 3.48Å
640E93.9Very high93.1Very high137 Ų137106.7 Ų106.764%0.6454%0.538SS*.Hα-helixtrans-60.3-33.1173.3-76.7-171.6139.700112.4Q636 Q638 A644Q636-E640 PolarHBondContact O-N 2.92Å; Q638-E640 PolarHBondContact O-N 3.29Å; E640-A644 VanDerWaalsContact O-CB 3.27Å; E640-A644 WeakPolarHBondContact O-CB 3.5Å; E640-A644 PolarHBondContact O-N 3.47Å; E640-A644 VanDerWaalsContact O-N 3.13Å
641R92.1Very high93.2Very high187 Ų187108.2 Ų108.271%0.70655%0.545SS*.Hα-helixtrans-74.5-46.6175.4-67.9169.8-179.1-161.3-0.1111.7L637 Q638 K639 E643 A644 E645L637-R641 WeakPolarHBondContact O-CD 3.42Å; L637-R641 VanDerWaalsContact O-CG 3.32Å; L637-R641 WeakPolarHBondContact O-CG 3.28Å; Q638-R641 WeakPolarHBondContact O-CA 3.45Å; Q638-R641 WeakPolarHBondContact O-CB 3.2Å; Q638-R641 PolarHBondContact O-N 2.93Å; K639-R641 PolarHBondContact O-N 2.89Å; R641-E643 VanDerWaalsContact C-N 3.33Å; R641-E643 PolarHBondContact O-N 2.9Å; R641-A644 PolarHBondContact O-N 3.44Å; R641-E645 WeakPolarHBondContact O-CB 3.41Å; R641-E645 PolarHBondContact O-N 2.93Å
642E89.8Confident93.1Very high136 Ų136108.3 Ų108.364%0.63655%0.546SS*.Hα-helixtrans-61.9-40.9177.7-171.8-178.1177.400111.3Q638 K639 E645 A646Q638-E642 PolarHBondContact O-N 2.94Å; K639-E642 PolarHBondContact O-N 3Å; E642-E645 PolarHBondContact O-N 3.21Å; E642-A646 WeakPolarHBondContact O-CB 3.47Å; E642-A646 PolarHBondContact O-N 3.45Å
643E92.3Very high92.9Very high127 Ų127109.6 Ų109.659%0.59355%0.546SS*.Hα-helixtrans-66.8-40175.3-170.2176.5139.800111.7K639 R641 K647K639-E643 VanDerWaalsContact O-CB 3.23Å; K639-E643 WeakPolarHBondContact O-CB 3.3Å; K639-E643 PolarHBondContact O-N 3.48Å; R641-E643 VanDerWaalsContact C-N 3.33Å; R641-E643 PolarHBondContact O-N 2.9Å; E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.12Å
644A90.8Very high92.9Very high61 Ų61109.9 Ų109.950%0.50455%0.547SS..Hα-helixtrans-67.2-38.1174.100000112.7E640 R641 A648E640-A644 VanDerWaalsContact O-CB 3.27Å; E640-A644 WeakPolarHBondContact O-CB 3.5Å; E640-A644 PolarHBondContact O-N 3.47Å; E640-A644 VanDerWaalsContact O-N 3.13Å; R641-A644 PolarHBondContact O-N 3.44Å; A644-A648 WeakPolarHBondContact O-CB 3.39Å; A644-A648 PolarHBondContact O-N 3.1Å
645E91Very high93.2Very high131 Ų131109.4 Ų109.461%0.61255%0.551SS**Hα-helixtrans-70.9-48177.4-175.3166.2-174.200111.5R641 E642 K647 A648 L649R641-E645 WeakPolarHBondContact O-CB 3.41Å; R641-E645 PolarHBondContact O-N 2.93Å; E642-E645 PolarHBondContact O-N 3.21Å; E645-K647 VanDerWaalsContact C-N 3.28Å; E645-K647 PolarHBondContact O-N 3.09Å; E645-A648 PolarHBondContact O-N 2.96Å; E645-A648 VanDerWaalsContact O-N 3.13Å; E645-L649 HydrophobicContact CG-CD1 4.44Å; E645-L649 WeakPolarHBondContact O-CG 3.26Å; E645-L649 PolarHBondContact O-N 3.47Å
646A92.3Very high93.3Very high56 Ų56115.9 Ų115.946%0.46357%0.565SS.*Hα-helixtrans-58.5-39.3174.200000112E642 L649 E650E642-A646 WeakPolarHBondContact O-CB 3.47Å; E642-A646 PolarHBondContact O-N 3.45Å; A646-L649 PolarHBondContact O-N 2.92Å; A646-E650 PolarHBondContact O-N 3.08Å
647K95.1Very high93.3Very high143 Ų143115.6 Ų115.662%0.62256%0.563SS**Hα-helixtrans-67.5-38.9175.1-174172.4-175.7172.50112.9E643 E645 L649 E650 E651E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.12Å; E645-K647 VanDerWaalsContact C-N 3.28Å; E645-K647 PolarHBondContact O-N 3.09Å; K647-L649 VanDerWaalsContact C-N 3.31Å; K647-E650 PolarHBondContact O-N 3.31Å; K647-E651 WeakPolarHBondContact O-CB 3.2Å; K647-E651 PolarHBondContact O-N 3.36Å
648A92.7Very high93.3Very high57 Ų57117.7 Ų117.747%0.47157%0.571SS.*Hα-helixtrans-66.3-34173.200000112.1A644 E645 A652A644-A648 WeakPolarHBondContact O-CB 3.39Å; A644-A648 PolarHBondContact O-N 3.1Å; E645-A648 PolarHBondContact O-N 2.96Å; E645-A648 VanDerWaalsContact O-N 3.13Å; A648-A652 WeakPolarHBondContact O-CB 3.35Å; A648-A652 PolarHBondContact O-N 3.15Å
649L93.7Very high93.5Very high114 Ų114118.7 Ų118.760%0.59757%0.569SS**Hα-helixtrans-69.3-41.9172.8-68.9171.5000112E645 A646 K647 A652 E653E645-L649 HydrophobicContact CG-CD1 4.44Å; E645-L649 WeakPolarHBondContact O-CG 3.26Å; E645-L649 PolarHBondContact O-N 3.47Å; A646-L649 PolarHBondContact O-N 2.92Å; K647-L649 VanDerWaalsContact C-N 3.31Å; L649-A652 PolarHBondContact O-N 2.92Å; L649-E653 PolarHBondContact O-N 2.72Å
650E91.5Very high93.4Very high94 Ų94115.2 Ų115.244%0.43956%0.557SS.*Hα-helixtrans-61.6-43.5174.3-160.5-148.7141.500111.3A646 K647 E653 R654A646-E650 PolarHBondContact O-N 3.08Å; K647-E650 PolarHBondContact O-N 3.31Å; E650-E653 PolarHBondContact O-N 3.27Å; E650-R654 WeakPolarHBondContact O-CG 3.48Å; E650-R654 PolarHBondContact O-N 3.47Å; E650-R654 IonicContact OE1-CZ 2.63Å; E650-R654 IonicContact OE1-NE 3.97Å; E650-R654 PolarHBondContact OE1-NE 3.17Å; E650-R654 IonicContact OE1-NH2 2.71Å; E650-R654 PolarHBondContact OE1-NH2 3.3Å
651E92.4Very high93.5Very high133 Ų133116.8 Ų116.862%0.62156%0.557SS**Hα-helixtrans-63.4-43.3176-170.6171.6173.500111.5K647 E653 R654 V655K647-E651 WeakPolarHBondContact O-CB 3.2Å; K647-E651 PolarHBondContact O-N 3.36Å; E651-E653 VanDerWaalsContact C-N 3.32Å; E651-E653 PolarHBondContact O-N 3.03Å; E651-R654 PolarHBondContact O-N 2.93Å; E651-V655 WeakPolarHBondContact O-CG2 3.37Å; E651-V655 PolarHBondContact O-N 3.39Å
652A92.7Very high93.7Very high55 Ų55112.4 Ų112.446%0.45555%0.547SS..Hα-helixtrans-63.8-34.4174.600000113A648 L649 R656A648-A652 WeakPolarHBondContact O-CB 3.35Å; A648-A652 PolarHBondContact O-N 3.15Å; L649-A652 PolarHBondContact O-N 2.92Å; A652-R656 PolarHBondContact O-N 2.72Å
653E93.7Very high94Very high109 Ų109111 Ų11151%0.50954%0.542SS..Hα-helixtrans-70.2-45.3173.8-157.4-162.3144.300111.4L649 E650 E651 V655 R656 Q657L649-E653 PolarHBondContact O-N 2.72Å; E650-E653 PolarHBondContact O-N 3.27Å; E651-E653 VanDerWaalsContact C-N 3.32Å; E651-E653 PolarHBondContact O-N 3.03Å; E653-V655 VanDerWaalsContact C-N 3.27Å; E653-V655 PolarHBondContact O-N 2.87Å; E653-R656 WeakPolarHBondContact O-CA 3.17Å; E653-R656 WeakPolarHBondContact O-CB 3.43Å; E653-R656 PolarHBondContact O-N 3.28Å; E653-Q657 WeakPolarHBondContact O-CG 3.34Å; E653-Q657 PolarHBondContact O-N 3.44Å; E653-Q657 PolarHBondContact OE1-NE2 2.72Å
654R96.6Very high94.1Very high158 Ų158110.5 Ų110.560%0.59654%0.539SS*.Hα-helixtrans-56.4-41.5174.5-73.2-175.9-173.5-148.78111.8E650 E651 R656 Q657 E658E650-R654 WeakPolarHBondContact O-CG 3.48Å; E650-R654 PolarHBondContact O-N 3.47Å; E650-R654 IonicContact OE1-CZ 2.63Å; E650-R654 IonicContact OE1-NE 3.97Å; E650-R654 PolarHBondContact OE1-NE 3.17Å; E650-R654 IonicContact OE1-NH2 2.71Å; E650-R654 PolarHBondContact OE1-NH2 3.3Å; E651-R654 PolarHBondContact O-N 2.93Å; R654-R656 VanDerWaalsContact C-N 3.34Å; R654-R656 PolarHBondContact O-N 3.42Å; R654-Q657 PolarHBondContact O-N 3.42Å; R654-E658 WeakPolarHBondContact O-CB 3.41Å; R654-E658 PolarHBondContact O-N 2.96Å
655V96.1Very high94.4Very high89 Ų89112.9 Ų112.954%0.53954%0.54SS..Hα-helixtrans-63.8-36.2175.5170.50000112E651 E653 R659E651-V655 WeakPolarHBondContact O-CG2 3.37Å; E651-V655 PolarHBondContact O-N 3.39Å; E653-V655 VanDerWaalsContact C-N 3.27Å; E653-V655 PolarHBondContact O-N 2.87Å; V655-R659 WeakPolarHBondContact O-CB 3.41Å; V655-R659 PolarHBondContact O-N 2.79Å
656R95.4Very high94.6Very high185 Ų185109.6 Ų109.670%0.69853%0.527SS*.Hα-helixtrans-65.3-50.1170.6-77.6-177.4168.5-165.8-1.4111.9A652 E653 R654 E658 R659 D660A652-R656 PolarHBondContact O-N 2.72Å; E653-R656 WeakPolarHBondContact O-CA 3.17Å; E653-R656 WeakPolarHBondContact O-CB 3.43Å; E653-R656 PolarHBondContact O-N 3.28Å; R654-R656 VanDerWaalsContact C-N 3.34Å; R654-R656 PolarHBondContact O-N 3.42Å; R656-E658 VanDerWaalsContact C-N 3.29Å; R656-E658 PolarHBondContact O-N 2.9Å; R656-R659 WeakPolarHBondContact O-CB 3.39Å; R656-R659 PolarHBondContact O-N 3.44Å; R656-D660 PolarHBondContact O-N 2.96Å
657Q95.4Very high94.8Very high115 Ų115113.2 Ų113.254%0.53753%0.534SS..Hα-helixtrans-59.2-40.6179.7-66.7-178.413.500111.5E653 R654 R661E653-Q657 WeakPolarHBondContact O-CG 3.34Å; E653-Q657 PolarHBondContact O-N 3.44Å; E653-Q657 PolarHBondContact OE1-NE2 2.72Å; R654-Q657 PolarHBondContact O-N 3.42Å; Q657-R661 VanDerWaalsContact O-CB 3.27Å; Q657-R661 WeakPolarHBondContact O-CB 3.46Å; Q657-R661 PolarHBondContact O-N 2.92Å
658E95.2Very high94.8Very high124 Ų124111.9 Ų111.958%0.57953%0.53SS*.Hα-helixtrans-66.3-46.4174.9-178.2168.2-143.800111.9R654 R656 D660 R661 I662R654-E658 WeakPolarHBondContact O-CB 3.41Å; R654-E658 PolarHBondContact O-N 2.96Å; R656-E658 VanDerWaalsContact C-N 3.29Å; R656-E658 PolarHBondContact O-N 2.9Å; E658-D660 VanDerWaalsContact C-N 3.27Å; E658-D660 PolarHBondContact O-N 3.23Å; E658-R661 PolarHBondContact O-N 2.86Å; E658-I662 HydrophobicContact CG-CD1 3.89Å; E658-I662 HydrophobicContact CG-CG1 4.47Å; E658-I662 VanDerWaalsContact O-CG1 3.3Å; E658-I662 WeakPolarHBondContact O-CG1 3.34Å; E658-I662 PolarHBondContact O-N 3.2Å
659R94.6Very high94.9Very high150 Ų150114 Ų11457%0.56653%0.53SS*.Hα-helixtrans-55.8-43.8175.7-169.1-156.376.3158.10.9111.6V655 R656 I662 M663V655-R659 WeakPolarHBondContact O-CB 3.41Å; V655-R659 PolarHBondContact O-N 2.79Å; R656-R659 WeakPolarHBondContact O-CB 3.39Å; R656-R659 PolarHBondContact O-N 3.44Å; R659-I662 PolarHBondContact O-N 3.45Å; R659-M663 PolarHBondContact O-N 3.01Å
660D94.4Very high95Very high59 Ų59116.8 Ų116.832%0.31653%0.533SS..Hα-helixtrans-78.3-29.2-176.7-65.9-13.4000111.7R656 E658 M663 Q664R656-D660 PolarHBondContact O-N 2.96Å; E658-D660 VanDerWaalsContact C-N 3.27Å; E658-D660 PolarHBondContact O-N 3.23Å; D660-M663 WeakPolarHBondContact O-CB 3.41Å; D660-M663 PolarHBondContact O-N 3.27Å; D660-Q664 WeakPolarHBondContact O-CG 3.44Å; D660-Q664 PolarHBondContact O-N 2.78Å
661R96.6Very high95.1Very high170 Ų170117.3 Ų117.364%0.64254%0.536SS*.Hα-helixtrans-64.2-42.6166.6-171.4179.6-171.3179.33.9112Q657 E658 M663 Q664 Q665Q657-R661 VanDerWaalsContact O-CB 3.27Å; Q657-R661 WeakPolarHBondContact O-CB 3.46Å; Q657-R661 PolarHBondContact O-N 2.92Å; E658-R661 PolarHBondContact O-N 2.86Å; R661-M663 VanDerWaalsContact C-N 3.32Å; R661-Q664 PolarHBondContact O-N 3.27Å; R661-Q665 WeakPolarHBondContact O-CB 3.24Å; R661-Q665 WeakPolarHBondContact O-CG 3.41Å; R661-Q665 PolarHBondContact O-N 2.88Å
662I95.9Very high95.2Very high94 Ų94115.9 Ų115.948%0.48253%0.53SS..Hα-helixtrans-62.8-40.2173.4-69.7165.5000110.4E658 R659 Q665 N666E658-I662 HydrophobicContact CG-CD1 3.89Å; E658-I662 HydrophobicContact CG-CG1 4.47Å; E658-I662 VanDerWaalsContact O-CG1 3.3Å; E658-I662 WeakPolarHBondContact O-CG1 3.34Å; E658-I662 PolarHBondContact O-N 3.2Å; R659-I662 PolarHBondContact O-N 3.45Å; I662-Q665 PolarHBondContact O-N 3.37Å; I662-N666 PolarHBondContact O-N 3.38Å
663M95.1Very high95.3Very high108 Ų108121 Ų12153%0.53254%0.537SS..Hα-helixtrans-62.4-45.7175.4-167.3-173.6-55.300111.9R659 D660 R661 N666 Q667R659-M663 PolarHBondContact O-N 3.01Å; D660-M663 WeakPolarHBondContact O-CB 3.41Å; D660-M663 PolarHBondContact O-N 3.27Å; R661-M663 VanDerWaalsContact C-N 3.32Å; M663-N666 PolarHBondContact O-N 2.68Å; M663-Q667 WeakPolarHBondContact O-CB 3.34Å; M663-Q667 PolarHBondContact O-N 3.38Å
664Q96.1Very high95.4Very high116 Ų116121.6 Ų121.654%0.54254%0.538SS..Hα-helixtrans-62.3-43.3174.6-72176.825.900111.9D660 R661 Q667 Q668D660-Q664 WeakPolarHBondContact O-CG 3.44Å; D660-Q664 PolarHBondContact O-N 2.78Å; R661-Q664 PolarHBondContact O-N 3.27Å; Q664-Q667 PolarHBondContact O-N 2.93Å; Q664-Q668 WeakPolarHBondContact O-CG 3.16Å; Q664-Q668 PolarHBondContact O-N 3.38Å
665Q95.9Very high95.4Very high110 Ų110120.8 Ų120.851%0.51454%0.539SS..Hα-helixtrans-61.4-43.6175.6-77.4179.9-22.500112R661 I662 Q667 Q668 E669R661-Q665 WeakPolarHBondContact O-CB 3.24Å; R661-Q665 WeakPolarHBondContact O-CG 3.41Å; R661-Q665 PolarHBondContact O-N 2.88Å; I662-Q665 PolarHBondContact O-N 3.37Å; Q665-Q667 VanDerWaalsContact C-N 3.32Å; Q665-Q667 PolarHBondContact O-N 3.04Å; Q665-Q668 PolarHBondContact O-N 2.78Å; Q665-E669 WeakPolarHBondContact O-CB 3.41Å; Q665-E669 PolarHBondContact O-N 2.95Å
666N95.9Very high95.4Very high63 Ų63124.3 Ų124.334%0.33754%0.542SS..Hα-helixtrans-68.5-30.5175.8-166.7-109000112.4I662 M663 E669 R670I662-N666 PolarHBondContact O-N 3.38Å; M663-N666 PolarHBondContact O-N 2.68Å; N666-E669 PolarHBondContact ND2-OE2 2.86Å; N666-E669 VanDerWaalsContact ND2-OE2 3.09Å; N666-R670 WeakPolarHBondContact O-CB 3.38Å; N666-R670 WeakPolarHBondContact O-CD 3.39Å; N666-R670 WeakPolarHBondContact O-CG 3.46Å; N666-R670 PolarHBondContact O-N 3.41Å; N666-R670 PolarHBondContact OD1-NE 3.15Å; N666-R670 PolarHBondContact OD1-NH2 3.3Å
667Q95.1Very high95.3Very high131 Ų131119.3 Ų119.361%0.61253%0.529SS*.Hα-helixtrans-68.8-41.5172.3-167.9-175.373.200111.8M663 Q664 Q665 R670 M671M663-Q667 WeakPolarHBondContact O-CB 3.34Å; M663-Q667 PolarHBondContact O-N 3.38Å; Q664-Q667 PolarHBondContact O-N 2.93Å; Q665-Q667 VanDerWaalsContact C-N 3.32Å; Q665-Q667 PolarHBondContact O-N 3.04Å; Q667-R670 PolarHBondContact O-N 2.77Å; Q667-M671 WeakPolarHBondContact O-CG 3.38Å; Q667-M671 PolarHBondContact O-N 3.23Å
668Q94.9Very high95.2Very high116 Ų116117.2 Ų117.254%0.54252%0.521SS..Hα-helixtrans-64-45.2172.9-72174.33.700111.2Q664 Q665 R670 M671 E672Q664-Q668 WeakPolarHBondContact O-CG 3.16Å; Q664-Q668 PolarHBondContact O-N 3.38Å; Q665-Q668 PolarHBondContact O-N 2.78Å; Q668-R670 VanDerWaalsContact C-N 3.33Å; Q668-R670 PolarHBondContact O-N 3.36Å; Q668-M671 CarbonylContact O-C 3.6Å; Q668-M671 PolarHBondContact O-N 2.89Å; Q668-E672 PolarHBondContact O-N 3.22Å
669E94.9Very high95.1Very high101 Ų101115.5 Ų115.547%0.47251%0.513SS..Hα-helixtrans-59-42.2174.4-166.9-148149.400111.4Q665 N666 M671 E672 R673Q665-E669 WeakPolarHBondContact O-CB 3.41Å; Q665-E669 PolarHBondContact O-N 2.95Å; N666-E669 PolarHBondContact ND2-OE2 2.86Å; N666-E669 VanDerWaalsContact ND2-OE2 3.09Å; E669-M671 VanDerWaalsContact C-N 3.35Å; E669-M671 PolarHBondContact O-N 3.23Å; E669-E672 PolarHBondContact O-N 2.76Å; E669-R673 WeakPolarHBondContact O-CB 3.36Å; E669-R673 PolarHBondContact O-N 3.23Å
670R95.8Very high94.9Very high173 Ų173112.1 Ų112.165%0.65351%0.505SS*.Hα-helixtrans-61.2-41.3172.7-75.8166.3-172.4-113.72.3112N666 Q667 Q668 K674N666-R670 WeakPolarHBondContact O-CB 3.38Å; N666-R670 WeakPolarHBondContact O-CD 3.39Å; N666-R670 WeakPolarHBondContact O-CG 3.46Å; N666-R670 PolarHBondContact O-N 3.41Å; N666-R670 PolarHBondContact OD1-NE 3.15Å; N666-R670 PolarHBondContact OD1-NH2 3.3Å; Q667-R670 PolarHBondContact O-N 2.77Å; Q668-R670 VanDerWaalsContact C-N 3.33Å; Q668-R670 PolarHBondContact O-N 3.36Å; R670-K674 VanDerWaalsContact O-CB 3.28Å; R670-K674 WeakPolarHBondContact O-CB 3.46Å; R670-K674 PolarHBondContact O-N 3.32Å
671M94.4Very high94.5Very high105 Ų105114.6 Ų114.652%0.51752%0.516SS..Hα-helixtrans-71-36.8177.8-72.4-64.2-75.300112.6Q667 Q668 E669 K675Q667-M671 WeakPolarHBondContact O-CG 3.38Å; Q667-M671 PolarHBondContact O-N 3.23Å; Q668-M671 CarbonylContact O-C 3.6Å; Q668-M671 PolarHBondContact O-N 2.89Å; E669-M671 VanDerWaalsContact C-N 3.35Å; E669-M671 PolarHBondContact O-N 3.23Å; M671-K675 WeakPolarHBondContact O-CB 3.48Å; M671-K675 VanDerWaalsContact O-CG 3.28Å; M671-K675 WeakPolarHBondContact O-CG 3.27Å; M671-K675 PolarHBondContact O-N 3.45Å
672E94.3Very high94.1Very high103 Ų103112.2 Ų112.248%0.48151%0.508SS..Hα-helixtrans-68.1-44.1171.1-80.2-163.4-160.400112.3Q668 E669 K674 K675 R676Q668-E672 PolarHBondContact O-N 3.22Å; E669-E672 PolarHBondContact O-N 2.76Å; E672-K674 VanDerWaalsContact C-N 3.3Å; E672-K674 PolarHBondContact O-N 2.94Å; E672-K675 CarbonylContact O-C 3.58Å; E672-K675 PolarHBondContact O-N 2.9Å; E672-R676 WeakPolarHBondContact O-CG 3.49Å; E672-R676 PolarHBondContact O-N 2.77Å; E672-R676 IonicContact OE2-NH2 3.34Å; E672-R676 PolarHBondContact OE2-NH2 2.77Å
673R95.1Very high93.6Very high163 Ų163115.6 Ų115.662%0.61551%0.514SS*.Hα-helixtrans-62.2-40.6175.8-176.5172.6177.8167.5-1.5110.6E669 R676 I677E669-R673 WeakPolarHBondContact O-CB 3.36Å; E669-R673 PolarHBondContact O-N 3.23Å; R673-R676 PolarHBondContact O-N 2.92Å; R673-I677 HydrophobicContact CG-CD1 4.05Å; R673-I677 WeakPolarHBondContact O-CB 3.43Å; R673-I677 WeakPolarHBondContact O-CD1 3.43Å; R673-I677 VanDerWaalsContact O-CG1 3.23Å; R673-I677 WeakPolarHBondContact O-CG1 3.43Å; R673-I677 PolarHBondContact O-N 2.8Å
674K96.3Very high92.9Very high121 Ų121115.3 Ų115.353%0.52652%0.519SS..Hα-helixtrans-59.9-52.8169.5-176.7178.3176.2-176.40110.8R670 E672 R676 I677 D678R670-K674 VanDerWaalsContact O-CB 3.28Å; R670-K674 WeakPolarHBondContact O-CB 3.46Å; R670-K674 PolarHBondContact O-N 3.32Å; E672-K674 VanDerWaalsContact C-N 3.3Å; E672-K674 PolarHBondContact O-N 2.94Å; K674-R676 VanDerWaalsContact C-N 3.3Å; K674-R676 PolarHBondContact O-N 3.3Å; K674-I677 CarbonylContact O-C 3.54Å; K674-I677 PolarHBondContact O-N 3.49Å; K674-D678 WeakPolarHBondContact CE-OD2 3.26Å; K674-D678 WeakPolarHBondContact CG-OD2 3.29Å; K674-D678 WeakPolarHBondContact O-CB 3.5Å; K674-D678 VanDerWaalsContact O-CG 3.27Å; K674-D678 PolarHBondContact O-N 3.1Å
675K96.6Very high92.1Very high141 Ų141120.1 Ų120.161%0.61353%0.532SS*.Hα-helixtrans-55.7-39.4176.3-76.1172.3179.41800113M671 E672 E679M671-K675 WeakPolarHBondContact O-CB 3.48Å; M671-K675 VanDerWaalsContact O-CG 3.28Å; M671-K675 WeakPolarHBondContact O-CG 3.27Å; M671-K675 PolarHBondContact O-N 3.45Å; E672-K675 CarbonylContact O-C 3.58Å; E672-K675 PolarHBondContact O-N 2.9Å; K675-E679 WeakPolarHBondContact O-CB 3.36Å; K675-E679 PolarHBondContact O-N 3.36Å
676R95.2Very high90.3Very high162 Ų162122 Ų12261%0.61154%0.539SS*.Hα-helixtrans-68.8-38.4174.9-70.4-175.2-156.9-176.610.4112.1E672 R673 K674 I680E672-R676 WeakPolarHBondContact O-CG 3.49Å; E672-R676 PolarHBondContact O-N 2.77Å; E672-R676 IonicContact OE2-NH2 3.34Å; E672-R676 PolarHBondContact OE2-NH2 2.77Å; R673-R676 PolarHBondContact O-N 2.92Å; K674-R676 VanDerWaalsContact C-N 3.3Å; K674-R676 PolarHBondContact O-N 3.3Å; R676-I680 VanDerWaalsContact O-CB 3.31Å; R676-I680 WeakPolarHBondContact O-CB 3.28Å; R676-I680 WeakPolarHBondContact O-CD1 3.39Å; R676-I680 WeakPolarHBondContact O-CG1 3.32Å; R676-I680 PolarHBondContact O-N 3.3Å
677I94.2Very high88.4Confident80 Ų80122.4 Ų122.441%0.4156%0.557SS.*Hα-helixtrans-65.9-47.8173.7-71.4164.2000109.9R673 K674 E679 I680 M681R673-I677 HydrophobicContact CG-CD1 4.05Å; R673-I677 WeakPolarHBondContact O-CB 3.43Å; R673-I677 WeakPolarHBondContact O-CD1 3.43Å; R673-I677 VanDerWaalsContact O-CG1 3.23Å; R673-I677 WeakPolarHBondContact O-CG1 3.43Å; R673-I677 PolarHBondContact O-N 2.8Å; K674-I677 CarbonylContact O-C 3.54Å; K674-I677 PolarHBondContact O-N 3.49Å; I677-E679 VanDerWaalsContact C-N 3.31Å; I677-E679 PolarHBondContact O-N 2.88Å; I677-I680 CarbonylContact O-C 3.58Å; I677-I680 PolarHBondContact O-N 3.05Å; I677-I680 VanDerWaalsContact O-N 3.16Å; I677-M681 HydrophobicContact CG2-CG 4.4Å; I677-M681 HydrophobicContact CG2-SD 3.8Å; I677-M681 WeakPolarHBondContact O-CB 3.44Å; I677-M681 VanDerWaalsContact O-CG 3.31Å; I677-M681 WeakPolarHBondContact O-CG 3.31Å; I677-M681 PolarHBondContact O-N 3.42Å
678D92.8Very high86.5Confident72 Ų72123.5 Ų123.539%0.38557%0.567SS.*Hα-helixtrans-61.3-38.5176.9-65.3-19.2000111.2K674 M681 R682K674-D678 WeakPolarHBondContact CE-OD2 3.26Å; K674-D678 WeakPolarHBondContact CG-OD2 3.29Å; K674-D678 WeakPolarHBondContact O-CB 3.5Å; K674-D678 VanDerWaalsContact O-CG 3.27Å; K674-D678 PolarHBondContact O-N 3.1Å; D678-M681 PolarHBondContact O-N 3.41Å; D678-R682 VanDerWaalsContact O-CB 3.29Å; D678-R682 WeakPolarHBondContact O-CB 3.45Å; D678-R682 PolarHBondContact O-N 2.85Å
679E92.4Very high84.6Confident87 Ų87126 Ų12641%0.40758%0.579SS.*Hα-helixtrans-63.4-48.6171.3-177.362-120.700111.9K675 I677 M681 R682 R683K675-E679 WeakPolarHBondContact O-CB 3.36Å; K675-E679 PolarHBondContact O-N 3.36Å; I677-E679 VanDerWaalsContact C-N 3.31Å; I677-E679 PolarHBondContact O-N 2.88Å; E679-M681 VanDerWaalsContact C-N 3.28Å; E679-M681 PolarHBondContact O-N 2.83Å; E679-R682 PolarHBondContact O-N 3.08Å; E679-R682 VanDerWaalsContact O-N 3.17Å; E679-R682 IonicContact OE1-CZ 3.74Å; E679-R682 IonicContact OE1-NH1 2.78Å; E679-R682 PolarHBondContact OE1-NH1 2.89Å; E679-R682 IonicContact OE1-NH2 3.94Å; E679-R682 IonicContact OE2-CZ 3.2Å; E679-R682 IonicContact OE2-NH1 2.8Å; E679-R682 PolarHBondContact OE2-NH1 3.13Å; E679-R682 IonicContact OE2-NH2 2.7Å; E679-R682 PolarHBondContact OE2-NH2 2.91Å; E679-R683 WeakPolarHBondContact O-CG 3.37Å; E679-R683 PolarHBondContact O-N 3.14Å
680I90.2Very high82.4Confident79 Ų79127.6 Ų127.641%0.40560%0.596SS.*Hα-helixtrans-61.8-37.8177.7-72.6165.3000110.9R676 I677 R683 T684R676-I680 VanDerWaalsContact O-CB 3.31Å; R676-I680 WeakPolarHBondContact O-CB 3.28Å; R676-I680 WeakPolarHBondContact O-CD1 3.39Å; R676-I680 WeakPolarHBondContact O-CG1 3.32Å; R676-I680 PolarHBondContact O-N 3.3Å; I677-I680 CarbonylContact O-C 3.58Å; I677-I680 PolarHBondContact O-N 3.05Å; I677-I680 VanDerWaalsContact O-N 3.16Å; I680-R683 VanDerWaalsContact O-CG 3.25Å; I680-R683 WeakPolarHBondContact O-CG 3.38Å; I680-T684 WeakPolarHBondContact O-CG2 3.4Å; I680-T684 PolarHBondContact O-N 2.86Å; I680-T684 PolarHBondContact O-OG1 3.4Å
681M86.7Confident80.1Confident111 Ų111126.9 Ų126.955%0.54761%0.605SS.*Hα-helixtrans-72.6-36.4174.4-71.8176.165.100112.2I677 D678 E679 T684 R685I677-M681 HydrophobicContact CG2-CG 4.4Å; I677-M681 HydrophobicContact CG2-SD 3.8Å; I677-M681 WeakPolarHBondContact O-CB 3.44Å; I677-M681 VanDerWaalsContact O-CG 3.31Å; I677-M681 WeakPolarHBondContact O-CG 3.31Å; I677-M681 PolarHBondContact O-N 3.42Å; D678-M681 PolarHBondContact O-N 3.41Å; E679-M681 VanDerWaalsContact C-N 3.28Å; E679-M681 PolarHBondContact O-N 2.83Å; M681-T684 PolarHBondContact O-OG1 3.48Å; M681-R685 WeakPolarHBondContact O-CB 3.38Å; M681-R685 PolarHBondContact O-N 3.48Å
682R89.3Confident77.9Confident121 Ų121127.7 Ų127.746%0.45762%0.621SS.*Hα-helixtrans-68-43177.6-154.9-167.3-3299.94.1111.3D678 E679 R685 K686D678-R682 VanDerWaalsContact O-CB 3.29Å; D678-R682 WeakPolarHBondContact O-CB 3.45Å; D678-R682 PolarHBondContact O-N 2.85Å; E679-R682 PolarHBondContact O-N 3.08Å; E679-R682 VanDerWaalsContact O-N 3.17Å; E679-R682 IonicContact OE1-CZ 3.74Å; E679-R682 IonicContact OE1-NH1 2.78Å; E679-R682 PolarHBondContact OE1-NH1 2.89Å; E679-R682 IonicContact OE1-NH2 3.94Å; E679-R682 IonicContact OE2-CZ 3.2Å; E679-R682 IonicContact OE2-NH1 2.8Å; E679-R682 PolarHBondContact OE2-NH1 3.13Å; E679-R682 IonicContact OE2-NH2 2.7Å; E679-R682 PolarHBondContact OE2-NH2 2.91Å; R682-R685 PolarHBondContact O-N 3.21Å; R682-K686 VanDerWaalsContact O-CB 3.27Å; R682-K686 WeakPolarHBondContact O-CB 3.39Å; R682-K686 PolarHBondContact O-N 3.14Å
683R84.5Confident75.5Confident165 Ų165132 Ų13262%0.62364%0.638SS**Hα-helixtrans-68.4-33.3177.373.1-177.5-173.1163.14.4112.7E679 I680E679-R683 WeakPolarHBondContact O-CG 3.37Å; E679-R683 PolarHBondContact O-N 3.14Å; I680-R683 VanDerWaalsContact O-CG 3.25Å; I680-R683 WeakPolarHBondContact O-CG 3.38Å
684T80.5Confident73.2Confident102 Ų102134.7 Ų134.763%0.62665%0.648SS**Hα-helixtrans-80.4-27.6175.255.20000113I680 M681I680-T684 WeakPolarHBondContact O-CG2 3.4Å; I680-T684 PolarHBondContact O-N 2.86Å; I680-T684 PolarHBondContact O-OG1 3.4Å; M681-T684 PolarHBondContact O-OG1 3.48Å
685R79.8Confident70.8Confident216 Ų216135.6 Ų135.682%0.81566%0.659SS**Hα-helixtrans-81.8-22.8173.3-174.6175.6-93.1-157.2-5.7113.5M681 R682 G687M681-R685 WeakPolarHBondContact O-CB 3.38Å; M681-R685 PolarHBondContact O-N 3.48Å; R682-R685 PolarHBondContact O-N 3.21Å; R685-G687 VanDerWaalsContact C-N 3.28Å; R685-G687 PolarHBondContact O-N 3.44Å
686K56.6Low68.4Low151 Ų151135.9 Ų135.966%0.65767%0.667SS**G310 helixtrans-80.13.4175.1-87.6-158.5168.1-162.10115.3R682 D688R682-K686 VanDerWaalsContact O-CB 3.27Å; R682-K686 WeakPolarHBondContact O-CB 3.39Å; R682-K686 PolarHBondContact O-N 3.14Å; K686-D688 PolarHBondContact O-N 2.89Å
687G57.6Low66.1Low71 Ų71134 Ų13473%0.73267%0.669SS**G310 helixtrans-68.8-7.2175.700000115.3R685R685-G687 VanDerWaalsContact C-N 3.28Å; R685-G687 PolarHBondContact O-N 3.44Å
688D54.4Low63.7Low153 Ų153137.4 Ų137.482%0.81868%0.681SS**G310 helixtrans-13914.1-163.4-152.226.4000113.8K686K686-D688 PolarHBondContact O-N 2.89Å
689Q55.1Low61.1Low169 Ų169143.7 Ų143.779%0.7970%0.701SS**  trans-144.279.4177.2-72.8-165.75.800113.1
690T48.3Very low58.9Low134 Ų134143.5 Ų143.582%0.82271%0.709SS**  trans-137.539.6161.457.80000112.3
691D48.8Very low56.4Low159 Ų159147.2 Ų147.285%0.8573%0.725SS**  trans-151.782.5166.1-122-30.1000112.1
692S47.5Very low54.1Low122 Ų122149 Ų14985%0.85373%0.732SS**  trans-159.3119.4160.8-82.80000110.9
693K43.8Very low51.6Low192 Ų192150.3 Ų150.384%0.83575%0.748SS**  trans-14.6131.4152-81.6177.2178.6-178.70115.1
694R47.3Very low49.2Very low221 Ų221146 Ų14683%0.83476%0.755SS**  47.595.162.8-69.3-163-172-173.63.8112.9
695D45.2Very low47.2Very low139 Ų139148.1 Ų148.174%0.74376%0.763SS**  173.4173.8110.7-77.8-27.8000110.4
696D45.9Very low45.5Very low147 Ų147146.7 Ų146.779%0.78677%0.765SS**  trans68.7118.2165.4-64.1-18.3000122.7
697D46.3Very low44.5Very low122 Ų122142.8 Ų142.865%0.65277%0.767SS**  63.1152128.7-83.26.7000122.6
698K44.4Very low43.8Very low153 Ų153147.8 Ų147.867%0.66578%0.777SS**  cis-168.2169.3-25.7-131.4-173.8-153.895.90110
699Y39.4Very low43.1Very low203 Ų203147.8 Ų147.880%0.79678%0.777SS**  trans64.7106.2153-107.5-108.6000122
700S44.7Very low42.5Very low84 Ų84147 Ų14759%0.58777%0.773SS**  11.6149.3126.5-43.40000123.8
701Q38.9Very low42.2Very low157 Ų157149.3 Ų149.373%0.73478%0.777SS**  trans70159147.5-97.5159.1-69.400117.3
702E37.2Very low41.6Very low147 Ų147148.6 Ų148.669%0.68777%0.766SS**  cis-141.9-166.43-161.7130.3-135.200112.5
703N37.5Very low40.9Very low149 Ų149146 Ų14680%0.79776%0.759SS**  trans-84.5167.9-174.7-49.6-79.2000114.1
704G34.8Very low40.7Very low75 Ų75141.8 Ų141.877%0.77374%0.742SS**  trans87.9167.7156.700000115.9
705D38.5Very low40.2Very low147 Ų147138.2 Ų138.279%0.78675%0.745SS**  cis-159.2164-13.2-154.9-7000109.5
706E42.2Very low40.2Very low185 Ų185138.4 Ų138.486%0.86474%0.739SS**  trans59.2168.8172-53.6-169.3-171.800114.9
707G37.1Very low39.9Very low69 Ų69138.4 Ų138.471%0.71174%0.739SS**  cis-169.3162.9-2.900000111
708L41.7Very low39.5Very low177 Ų177139.6 Ų139.693%0.92775%0.745SS**  trans-44.5146175-57.6159.9000114
709D41.1Very low39.2Very low153 Ų153139.1 Ų139.182%0.81875%0.749SS**  -148.1152.4117.2-152.64.5000112.6
710E41.9Very low39.3Very low153 Ų153134.4 Ų134.472%0.71575%0.745SS**  trans-117.4110.3-176.4177.8-169.3161.700108.8
711M41.9Very low39.3Very low181 Ų181135.8 Ų135.889%0.89275%0.75SS**  trans-117.879.8167.9-162.3158.1-71.500113
712K36.4Very low39.4Very low144 Ų144135 Ų13563%0.62675%0.751SS**  trans-61.8146.4158.2-167-164.7-169.5-156.20110.6E714K712-E714 HydrophobicContact CD-CG 4.46Å; K712-E714 WeakPolarHBondContact CE-OE1 3.36Å; K712-E714 HydrophobicContact CG-CG 4.34Å; K712-E714 IonicContact NZ-OE1 3.71Å; K712-E714 PolarHBondContact NZ-OE1 3.07Å
713G32.8Very low40Very low68 Ų68133.4 Ų133.470%0.70175%0.747SS**  trans17666.2178.500000110.2
714E39.3Very low40.2Very low104 Ų104134 Ų13449%0.48675%0.75SS.*  47.8102.287.2-74.4-157.5-147.600114.1K712 K716K712-E714 HydrophobicContact CD-CG 4.46Å; K712-E714 WeakPolarHBondContact CE-OE1 3.36Å; K712-E714 HydrophobicContact CG-CG 4.34Å; K712-E714 IonicContact NZ-OE1 3.71Å; K712-E714 PolarHBondContact NZ-OE1 3.07Å; E714-K716 IonicContact OE2-NZ 2.62Å; E714-K716 PolarHBondContact OE2-NZ 3.41Å
715T36Very low40.6Very low145 Ų145138.1 Ų138.189%0.8975%0.749SS**  trans-122.4132136-490000106.1
716K47Very low40.6Very low143 Ų143137.7 Ų137.762%0.62275%0.747SS**  trans-92-170-179-77.1-165177.274.70111.2E714E714-K716 IonicContact OE2-NZ 2.62Å; E714-K716 PolarHBondContact OE2-NZ 3.41Å
717D37.7Very low40.3Very low148 Ų148136.9 Ų136.979%0.79174%0.741SS**  trans99.3121.8158.9-46.7-9.3000114
718D39.2Very low40.5Very low147 Ų147140 Ų14079%0.78674%0.741SS**  cis-163.2-176.2-20.6-147.1-25.2000108.9
719I37.3Very low40.1Very low143 Ų143136.6 Ų136.673%0.73373%0.731SS**  trans72.5105.4168.8-61.5163.9000114.1
720S41.3Very low39.9Very low103 Ų103134 Ų13472%0.7273%0.732SS**  70137.457.983.90000114.2
721V44.5Very low39.3Very low114 Ų114130 Ų13069%0.69173%0.731SS**  cis-173.5167.5-4.265.10000105.2
722D42.9Very low39.1Very low141 Ų141128.6 Ų128.675%0.75473%0.727SS**  cis-102.4-1705.7-48.1-75000111.5
723D49Very low39Very low112 Ų112127.6 Ų127.660%0.59973%0.733SS**  cis72.7153.419.2-80-56.7000117Q725D723-Q725 PolarHBondContact OD1-NE2 3.31Å
724D40.7Very low38.8Very low161 Ų161127.4 Ų127.486%0.86173%0.731SS**  cis-113166.416.1-96.2-54.9000116.5
725Q43.4Very low38.5Very low162 Ų162128.5 Ų128.576%0.75775%0.745SS**  trans-143.5158.9-170.2-64.5171.589.500110.3D723D723-Q725 PolarHBondContact OD1-NE2 3.31Å
726D39Very low38.4Very low139 Ų139130.2 Ų130.274%0.74374%0.74SS**  cis-168.9-151.4-14.6178.226.2000106.4
727F35.8Very low37.6Very low167 Ų167130.3 Ų130.373%0.73274%0.742SS**  trans80.3154.2154.9-83.5-163.7000118.9
728L41.8Very low37.2Very low135 Ų135129.8 Ų129.871%0.70774%0.74SS**  cis-147.9-169.6-0.6-114.2165.1000107.2
729S34.1Very low36.7Very low105 Ų105126.9 Ų126.973%0.73474%0.744SS**  cis-156.6174.218.7-153.50000113.9
730A36.7Very low36.5Very low100 Ų100123.5 Ų123.583%0.82674%0.744SS**  trans-139.9177.2172.100000113
731G29.3Very low36.1Very low68 Ų68126.2 Ų126.270%0.70175%0.75SS**  trans169.2123.3169.700000109.2
732D36Very low35.4Very low152 Ų152128.2 Ų128.281%0.81376%0.757SS**  cis80.4131.148.3-163.656.5000112.6
733V35.2Very low34.7Very low122 Ų122125 Ų12574%0.73976%0.757SS**  cis-123.4178.65.3-117.10000110
734G29.7Very low33.7Very low65 Ų65127.4 Ų127.467%0.6777%0.77SS**  cis145.5171.1-2.900000114.3
735V31.2Very low34.4Very low126 Ų126124.2 Ų124.276%0.76476%0.758SS**  trans74.6113.6158.3-174.40000121.1
736K34.9Very low33.8Very low181 Ų181124.6 Ų124.679%0.78776%0.76SS**  trans44.8152.9142.2-61.3-179.4-179.9-175.80121.1
737Q29.9Very low33.6Very low145 Ų145123.9 Ų123.968%0.67876%0.76SS**  cis-157.816313.5-136.6171.3-90.500111.7
738D29.9Very low33.6Very low138 Ų138123.5 Ų123.574%0.73876%0.761SS**  trans53.3139.7151.9-58.5-27.1000124.9
739G29.2Very low33.4Very low85 Ų85123.1 Ų123.188%0.87676%0.759SS**  trans100.2111.3133.200000117.8
740G32.2Very low33.8Very low72 Ų72124.9 Ų124.974%0.74275%0.754SS**  trans-119.4179.3-18000000116.4
741L32Very low33.8Very low161 Ų161127.2 Ų127.284%0.84375%0.748SS**  trans82.9124.3164.1-53.1176.8000120.3
742N30.3Very low34Very low156 Ų156130.3 Ų130.383%0.83475%0.748SS**  trans62.7108.9145.6-62.1-12.1000122.8
743G27.6Very low33.9Very low72 Ų72127.8 Ų127.874%0.74274%0.739SS**  102.7116.7102.400000121.9
744N28.7Very low33.7Very low164 Ų164129.3 Ų129.388%0.87774%0.743SS**  trans63.9171.2150.9-79.919.7000119.2
745P55.4Low33.8Very low94 Ų94129.7 Ų129.761%0.6175%0.746SS**  cis-137.8175.9-40.739.3-23000115.3
746E30.7Very low35.3Very low170 Ų170129.2 Ų129.279%0.79475%0.745SS**  trans61.7164.3142.7-75.9170.8132.500124.4
747T35.9Very low35.5Very low123 Ų123127 Ų12776%0.75575%0.747SS**  trans65.4154.5169.366.70000119
748E35.5Very low36.2Very low160 Ų160124.1 Ų124.175%0.74875%0.748SS**  cis-168.5160.4-28-107.5170.3161.600107
749D36.5Very low36.7Very low126 Ų126124.8 Ų124.867%0.67475%0.752SS**  trans59.9157.7145.2-79.55.6000122.4
750K43.2Very low37.1Very low143 Ų143126.7 Ų126.762%0.62274%0.742SS**  cis-174.1165.1-26-120.6179.6170.2-154.20110.8
751E37.6Very low37.3Very low148 Ų148127.6 Ų127.669%0.69273%0.734SS**  trans60.2167.4146.1-72171.2-161.500120
752N33.4Very low37.6Very low133 Ų133128.1 Ų128.171%0.71173%0.732SS**  cis-163.2172.9-46.8-156.1-4.2000111.3
753T32.8Very low37.9Very low100 Ų100125.3 Ų125.361%0.61373%0.73SS**  trans71.2127.9148.939.80000125.3
754N31Very low38Very low154 Ų154125.5 Ų125.582%0.82473%0.732SS**  trans87.2138.8133.9-62.4-16.6000124.2
755G31.1Very low38.2Very low72 Ų72123.5 Ų123.574%0.74273%0.731SS**  trans-97-136.2164.300000112.1
756P62.8Low38.8Very low116 Ų116124.1 Ų124.175%0.75374%0.735SS**  cis-148.4-155.117.936.6-10.5000116.1
757T39.5Very low38.9Very low134 Ų134122.1 Ų122.182%0.82273%0.734SS**  trans78.7150.8156.857.20000121.6
758A44.7Very low40.1Very low85 Ų85121.6 Ų121.670%0.70273%0.733SS**  cis-177.6174.2-22.100000109.2
759D40.5Very low40Very low153 Ų153120 Ų12082%0.81873%0.734SS**  cis-127.8-94.9-7.2-156.5-104.7000112.4
760D37.2Very low39.8Very low125 Ų125119.1 Ų119.167%0.66874%0.738SS**  cis-163.4160.3-9.4-171.621.9000112.2
761T36.7Very low39.3Very low91 Ų91123 Ų12356%0.55875%0.748SS**  trans28.1137.9147.8-70.60000121.5
762Q39Very low39.2Very low172 Ų172122.6 Ų122.680%0.80475%0.75SS**  cis162167.1-18.8-101.4173.2102.100105.5
763A36.5Very low39.1Very low96 Ų96121.7 Ų121.779%0.79375%0.749SS**  cis-169.7165.7-24.400000108.7
764G29.6Very low39.3Very low77 Ų77125.6 Ų125.679%0.79476%0.76SS**  trans175.8125.9170.700000114.7
765S33.8Very low39.2Very low121 Ų121121.4 Ų121.485%0.84675%0.754SS**  trans-166.4-165.1-172.3-129.80000109.3
766P66.3Low39.4Very low108 Ų108122.6 Ų122.670%0.70175%0.751SS**  cis-142.4-162.113.336.7-11.6000116.2
767V32.8Very low37.8Very low128 Ų128124.7 Ų124.778%0.77675%0.751SS**  trans83.3128.5156.3172.60000118.2
768P61.2Low37.3Very low111 Ų111127.2 Ų127.272%0.72175%0.75SS**  cis-107.5-144.45.719.46.2000111.8
769T33.8Very low36.7Very low126 Ų126128.9 Ų128.977%0.77375%0.747SS**  cis-150.4-101.69.5-35.30000115.4
770S32.8Very low36.1Very low108 Ų108128.1 Ų128.176%0.75574%0.743SS**  trans-166.7159.7-163.256.90000112.4
771R31.7Very low36Very low225 Ų225128.6 Ų128.685%0.84974%0.741SS**  cis-176.6155.1-24.2-162.4-162.9175.5-161.8-0.6107.7
772L35.3Very low35.8Very low140 Ų140132.4 Ų132.473%0.73375%0.753SS**  trans69.6156.4177.6-84.286.2000117.4
773V33.2Very low35.3Very low114 Ų114130.1 Ų130.169%0.69175%0.746SS**  cis-168.6149.1-37.1860000111.9
774E36Very low35.2Very low181 Ų181129.5 Ų129.585%0.84674%0.736SS**  trans68.9136.1145.9-156.2155.6-133.300123.9
775G28.7Very low35.4Very low67 Ų67129.8 Ų129.869%0.69172%0.722SS**  trans88.7159.2155.400000119.3
776S34.8Very low35.4Very low96 Ų96131.8 Ų131.867%0.67172%0.716SS**  cis-170.1155-25.3-116.80000112.9
777E30.7Very low33.7Very low160 Ų160134.2 Ų134.275%0.74872%0.723SS**  trans-0.5170.2150.181.5-147.7100.200122.5
778F27.7Very low33.6Very low187 Ų187131.5 Ų131.582%0.8272%0.721SS**  cis-160-177.5-6.2-139.1-134.1000111.4
779L32Very low32.2Very low121 Ų121134.2 Ų134.263%0.63473%0.728SS**  trans-106.1135.9161.1-171.4167.8000108.1E781L779-E781 HydrophobicContact CD2-CG 4.05Å; L779-E781 WeakPolarHBondContact CD2-OE2 3.46Å
780N29.1Very low32.1Very low136 Ų136134.1 Ų134.173%0.72773%0.727SS**  trans-158.2138.1167.4-119.512.1000107.4
781E33.8Very low32.1Very low136 Ų136134.5 Ų134.564%0.63673%0.73SS**  cis62.8133.230.4-58.5-179.1101.600112.5L779L779-E781 HydrophobicContact CD2-CG 4.05Å; L779-E781 WeakPolarHBondContact CD2-OE2 3.46Å
782E32.3Very low32.2Very low170 Ų170129.7 Ų129.779%0.79473%0.731SS**  cis-149.2157.21.4-137.7-170.1158.100112.5
783D29.8Very low32.3Very low124 Ų124131 Ų13166%0.66374%0.737SS**  trans77.1157.3138.6-165.846.5000121.9
784S34.5Very low32.3Very low83 Ų83132 Ų13258%0.5874%0.739SS**  trans84.6130.8150.8-93.80000120.5
785T32.2Very low32.2Very low84 Ų84126.9 Ų126.952%0.51574%0.735SS.*  cis-163.9156.4-27.310.20000109.3
786K34Very low32.4Very low163 Ų163132.9 Ų132.971%0.70974%0.742SS**  trans64.1151149.1-65.7153.5-162.4133.80119.3
787D32.1Very low32.5Very low158 Ų158133.8 Ų133.885%0.84575%0.748SS**  trans23.8126.2145.6-41.5-38.1000118.8
788G28.9Very low32.6Very low71 Ų71133.4 Ų133.473%0.73275%0.752SS**  cis146.3-164.514.900000110.1
789L33.4Very low33.3Very low169 Ų169133.5 Ų133.589%0.88576%0.755SS**  trans60.5101166.1-153.676.2000119.6
790V31.7Very low33.4Very low123 Ų123139.4 Ų139.475%0.74577%0.768SS**  trans5.8119.2138.9-163.20000118.3
791S32.3Very low33.8Very low117 Ų117138.5 Ų138.582%0.81877%0.773SS**  174.3145.1120.5-800000115.5
792S34.6Very low33.5Very low123 Ų123138.8 Ų138.886%0.8677%0.772SS**  trans-69.6136.5-178.9-430000115.3
793L35.9Very low33.7Very low167 Ų167138.9 Ų138.987%0.87477%0.773SS**  trans-156.7116.7141-161.356.3000115.6
794N32.9Very low34Very low135 Ų135141.8 Ų141.872%0.72278%0.782SS**  trans2115.7149172.751.3000119.5
795G34Very low34.2Very low74 Ų74142.8 Ų142.876%0.76378%0.781SS**  trans-16686.1172.200000115.2
796K33.6Very low34.7Very low194 Ų194146.4 Ų146.484%0.84380%0.795SS**  trans-64.5134.9-172.1-58160.7-176168.40115.2
797S37.1Very low34.6Very low115 Ų115145.6 Ų145.680%0.80480%0.799SS**  trans-148.7101.8148.448.90000111.1
798N32.1Very low35.1Very low152 Ų152142 Ų14281%0.81378%0.782SS**  trans-85.8121.3171.7-89.214.4000110
799Q42Very low35Very low189 Ų189145.6 Ų145.688%0.88379%0.785SS**  trans-122.1115.4151-72.4-172.2-7.300108.2
800W35.6Very low35.2Very low244 Ų244142 Ų14292%0.92477%0.77SS**  trans-123.4112.7168.5-92.539.1000106.7
801S37Very low35.2Very low117 Ų117144.1 Ų144.182%0.81877%0.771SS**  trans-92.9104.3159.547.80000106.6
802F27.3Very low35.1Very low143 Ų143142.6 Ų142.663%0.62776%0.761SS**  60.394.880.5-167.4-84.9000112.3L805F802-L805 HydrophobicContact CE2-CB 4.35Å
803E37.1Very low34.8Very low172 Ų172146.6 Ų146.680%0.80476%0.762SS**SBendtrans-156.551.1134.2-164.253.7-136.300109
804E34.8Very low34.5Very low184 Ų184143.7 Ų143.786%0.8676%0.762SS**  trans-153.168.6172.6-165.4-170.7-178.100111.1
805L40.5Very low34.8Very low105 Ų105148.8 Ų148.855%0.5577%0.772SS.*  trans-159.493.3160.4-157.563.6000115.8F802 T808F802-L805 HydrophobicContact CE2-CB 4.35Å; L805-T808 HydrophobicContact CD1-CG2 3.64Å; L805-T808 HydrophobicContact CD2-CG2 3.88Å; L805-T808 HydrophobicContact CG-CG2 3.97Å
806I42.3Very low35.1Very low160 Ų160150.6 Ų150.682%0.82177%0.77SS**  trans-140.6123.7140.1-60.1-171.8000104.9
807D31.9Very low35.2Very low146 Ų146148.9 Ų148.978%0.78177%0.769SS**  cis-139.6163.318.2-138.5-30.3000113.1
808T42.6Very low34.8Very low82 Ų82150.6 Ų150.650%0.50377%0.768SS.*  trans-131.5136.3-175.957.40000115.6L805L805-T808 HydrophobicContact CD1-CG2 3.64Å; L805-T808 HydrophobicContact CD2-CG2 3.88Å; L805-T808 HydrophobicContact CG-CG2 3.97Å
809N27.3Very low34.6Very low146 Ų146149.9 Ų149.978%0.78176%0.759SS**  trans-158104.5148.7-122.1-21.2000107.3
810V37.6Very low34.3Very low95 Ų95146.9 Ų146.958%0.57676%0.759SS**  54.1116.267.3-159.10000109.2
811H30.1Very low34Very low167 Ų167143.4 Ų143.477%0.77375%0.753SS**  -155.7170.856.2-67.9-92.6000110.7
812S30.5Very low33.8Very low85 Ų85144.6 Ų144.659%0.59475%0.751SS**  cis-173.2145.9-25.9-84.90000109.8
813K29.4Very low34Very low206 Ų206147.7 Ų147.790%0.89676%0.758SS**  trans57.4114.7157.2-61.7170.5-178.7177.10120.1
814A28.9Very low33.8Very low106 Ų106147.3 Ų147.388%0.87676%0.762SS**  171.9150.5111.300000114.3
815R38.8Very low33.6Very low242 Ų242146.5 Ų146.591%0.91376%0.758SS**  trans-130.9160.8156.9-109.8-168.9174.9-159.5-0.2105.7
816P41Very low33.1Very low112 Ų112148.6 Ų148.673%0.72778%0.775SS**  cis-139.4-168.930.244.2-25.9000115.6
817L34.6Very low32.6Very low159 Ų159148 Ų14883%0.83277%0.773SS**  trans6.9126.1141.9-177.571.2000118.5
818I29.1Very low32.7Very low151 Ų151148.6 Ų148.677%0.77477%0.774SS**  trans-161.6167148.9-106.5154.9000109.1
819E28.4Very low32.1Very low136 Ų136153 Ų15364%0.63679%0.788SS**  trans-60.7167.4-172.6-65.692.8153.100116.1
820S34.9Very low32.2Very low126 Ų126150.9 Ų150.988%0.88178%0.784SS**  trans-134.392.9144-65.30000109.2
821E29.4Very low31.8Very low171 Ų171154.1 Ų154.180%0.79980%0.798SS**  trans-51149.2147.4-63.3171.1118.600107.9
822D33.7Very low31.7Very low142 Ų142148.7 Ų148.776%0.75979%0.787SS**  -145.3139.567.7-155.7-9.3000114.5
823R31.5Very low31.7Very low208 Ų208148.8 Ų148.879%0.78579%0.788SS**  trans-96.1109.5167-85.3-178.3162.491.7-6108Q825R823-Q825 HydrophobicContact CB-CG 4.16Å; R823-Q825 PolarHBondContact O-N 2.98Å
824N32Very low32Very low165 Ų165140.9 Ų140.988%0.88276%0.759SS**  trans-68.5105.5154.3-97.4-86.2000108.7
825Q30.3Very low32.3Very low166 Ų166143.3 Ų143.378%0.77676%0.757SS**  trans-83.7124.7-175.7-59.2175.551.600110.7R823R823-Q825 HydrophobicContact CB-CG 4.16Å; R823-Q825 PolarHBondContact O-N 2.98Å
826V31.7Very low32.5Very low149 Ų149135.1 Ų135.190%0.90375%0.748SS**  trans-127.6119.5148.3-179.70000107.8
827L31.3Very low32.2Very low148 Ų148136.7 Ų136.778%0.77576%0.756SS**  trans-82.1140.6-177.5179.569.5000110.6
828I34.4Very low32.6Very low158 Ų158140 Ų14081%0.8176%0.757SS**  trans-173.5123.7136.3-95.9150.7000110.6
829H28.7Very low32.6Very low174 Ų174139.8 Ų139.881%0.80676%0.762SS**  trans14.8150.6161.8-89.6-98.7000125.5
830C29.1Very low32.9Very low102 Ų102137.4 Ų137.469%0.68977%0.766SS**  trans-74.6158171.3-47.80000113.6
831D28.9Very low32.7Very low164 Ų164140.6 Ų140.688%0.87776%0.764SS**  165.6154.5106.9-89.1-24.5000116.2
832G29.5Very low33Very low52 Ų52139.3 Ų139.354%0.53676%0.758SS.*  9766.8122.900000122.7K75K75-G832 PolarHBondContact NZ-O 2.83Å
833S29.7Very low33Very low87 Ų87139.1 Ų139.161%0.60875%0.753SS**  66155.4126.5-160.20000123.4K75K75-S833 VanDerWaalsContact CE-O 3.31Å; K75-S833 WeakPolarHBondContact CE-O 3.37Å; K75-S833 PolarHBondContact NZ-O 3.3Å
834S36.1Very low33.1Very low41 Ų41137 Ų13729%0.28775%0.75SS.*  trans53.8126.6146.738.80000124.9
835D35.6Very low33Very low156 Ų156132.8 Ų132.883%0.83474%0.744SS**  trans65.4167.2135.2-62.1-61.8000123.1
836G43.1Very low33.4Very low71 Ų71130.8 Ų130.873%0.73274%0.744SS**  trans-168.8-178.1-172.200000113.3
837T34.2Very low34.4Very low144 Ų144129.3 Ų129.388%0.88374%0.737SS**  trans-134.7151.9-164.2-57.30000112.8
838R43Very low34.6Very low230 Ų230128.9 Ų128.987%0.86873%0.734SS**  trans-91.1146.6173.1-55.7174.2177.4-1475.2111.3
839V30Very low34.4Very low146 Ų146127.2 Ų127.289%0.88574%0.736SS**  trans-136.5144.3149.4-175.50000107.3
840A34.5Very low34.7Very low86 Ų86124.6 Ų124.671%0.71173%0.733SS**  trans-119.2159177.800000110.2
841F29.7Very low34.9Very low192 Ų192126.6 Ų126.684%0.84274%0.736SS**  trans-149.3163.9152.8-131.1-87.4000111.5
842E35.3Very low35.2Very low145 Ų145126.6 Ų126.668%0.67873%0.731SS**  trans-70.2142.1-167.1-68.7172.3148.400113.4
843E33.6Very low35.3Very low138 Ų138129.7 Ų129.765%0.64574%0.744SS**  85.3165.970.4-146.6-130116.600113
844K33.5Very low35.4Very low164 Ų164131.3 Ų131.371%0.71376%0.755SS**  trans65.1130-166.7-29.7-58157.9-164.90114.1
845G31.7Very low35.3Very low75 Ų75134 Ų13477%0.77377%0.774SS**  cis175.8138.5-10.200000111.4
846T38.7Very low35.4Very low125 Ų125134.9 Ų134.977%0.76777%0.773SS**  trans-76.4152.1174.2-6.90000111.2I848T846-I848 HydrophobicContact CG2-CG1 4.1Å
847P50.8Low35.7Very low117 Ų117136.3 Ų136.376%0.7677%0.77SS**  -134.114882.134.7-19.7000112.6
848I36Very low35.9Very low140 Ų140137.2 Ų137.272%0.71877%0.767SS**  58.7100.767-51.9172.2000113.3T846T846-I848 HydrophobicContact CG2-CG1 4.1Å
849S30.2Very low35.8Very low122 Ų122135.2 Ų135.285%0.85377%0.768SS**  trans-145.7116.3144.157.40000110.7
850T35.2Very low36.7Very low120 Ų120132.8 Ų132.874%0.73676%0.763SS**  trans-69.9166.8167.4-34.80000110
851L33.8Very low37.3Very low144 Ų144136.8 Ų136.875%0.75477%0.769SS**  162.3134.7126.9-82.2168.5000110.8
852H34.2Very low38.1Very low164 Ų164132.4 Ų132.476%0.75976%0.763SS**  trans24.9129.9162.2-54.4-81.8000120.9
853S32.8Very low38.4Very low116 Ų116134.3 Ų134.381%0.81177%0.771SS**  cis69.898.739.3-161.70000115.4
854S30.8Very low38.5Very low122 Ų122140.1 Ų140.185%0.85380%0.802SS**  trans-158143.8152.3-174.20000109.3
855S34.9Very low38.8Very low97 Ų97139 Ų13968%0.67881%0.806SS**  trans-143167.7177.961.80000110.8
856Q37Very low39.1Very low174 Ų174142.3 Ų142.381%0.81381%0.808SS**  trans106.2145.3172.5-58.7-59.6-19.800116.7
857P49.2Very low39.2Very low102 Ų102143.3 Ų143.366%0.66281%0.81SS**  trans-95.8-175.8-167.940.5-38.7000113
858I38.3Very low38.5Very low162 Ų162144.8 Ų144.883%0.83181%0.813SS**  trans-116110.4167.8-61.7173.4000108.4
859E41.2Very low38.6Very low188 Ų188145.1 Ų145.188%0.87982%0.819SS**  trans-85.3149.1150.2-69.1-171.1128.900108.8
860A50.1Low39.2Very low96 Ų96146.7 Ų146.779%0.79382%0.817SS**  trans-143.8124.6169.600000108.8
861M45.7Very low39.5Very low170 Ų170148.6 Ų148.684%0.83782%0.823SS**  trans-111.9146.5179.2-85.6-83.4-7500110.2
862S46.5Very low39.9Very low100 Ų100148.9 Ų148.970%0.69983%0.828SS**  trans45.2120.1156.6-56.90000120
863E41.9Very low40.4Very low185 Ų185147.7 Ų147.786%0.86483%0.834SS**  -162.5158.499.4-106.7-168.114400112.1
864M36.7Very low41.1Very low260 Ų260150.5 Ų150.5100%1.28184%0.836SS**  trans71.50-178.7-55.4-167.7-177.600117.6

Retrieved 864 of 864 residues in 707.5 ms (Link to these results)