A0A087X7V3_POEFO Loading...

Homeobox C4a

Sequence-specific transcription factor which is part of a developmental regulatory system that provides cells with specific positional identities on the anterior-posterior axis.

AlphaFold DB (A0A3B3UBR8), UniProt , Accession A0A087X7V3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 270 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M58.5Low55.9Low243 Ų243154.6 Ų154.6100%1.19781%0.81SS**  01040-75.2171.3-175.600107.7
2I50.1Low55.7Low173 Ų173157.5 Ų157.589%0.88780%0.804SS**  trans-85.8120.6173.541.2169.6000107.7S4I2-S4 PolarHBondContact O-N 3.18Å; I2-S4 VanDerWaalsContact O-N 3.12Å
3M54.3Low56.3Low187 Ų187156.8 Ų156.892%0.92180%0.801SS**  trans-77.296176.3-68.3179.167.300108.1S5M3-S5 PolarHBondContact O-N 3.12Å
4S47.8Very low56.8Low105 Ų105154 Ų15473%0.73479%0.789SS**  trans-62.4115.1172.1-169.60000109.4I2 Y6I2-S4 PolarHBondContact O-N 3.18Å; I2-S4 VanDerWaalsContact O-N 3.12Å; S4-Y6 PolarHBondContact O-N 3.39Å
5S50.9Low56.9Low108 Ų108148.2 Ų148.276%0.75577%0.765SS**  trans-75.8102.7172.3530000109.4M3 L7M3-S5 PolarHBondContact O-N 3.12Å; S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 3.34Å
6Y55.3Low57.9Low196 Ų196150.3 Ų150.377%0.76977%0.767SS**  trans-6893.3157.6-103.9-92.5000107.4S4 M8S4-Y6 PolarHBondContact O-N 3.39Å; Y6-M8 VanDerWaalsContact C-N 3.26Å; Y6-M8 HydrophobicContact CD1-CE 4.22Å; Y6-M8 PolarHBondContact O-N 3.28Å; Y6-M8 VanDerWaalsContact O-N 3.13Å
7L66.9Low58.3Low138 Ų138151.1 Ų151.172%0.72376%0.764SS**  trans-75.194.5159.3-154146000104S5 E9S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 3.34Å; L7-E9 PolarHBondContact O-N 3.24Å
8M62Low58.8Low128 Ų128146.4 Ų146.463%0.63175%0.745SS**  trans-47.8117.7169.6-70.9-1029300106.9Y6 S10Y6-M8 VanDerWaalsContact C-N 3.26Å; Y6-M8 HydrophobicContact CD1-CE 4.22Å; Y6-M8 PolarHBondContact O-N 3.28Å; Y6-M8 VanDerWaalsContact O-N 3.13Å; M8-S10 PolarHBondContact O-N 3Å; M8-S10 PolarHBondContact O-OG 3.26Å
9E58.4Low58.9Low172 Ų172143.2 Ų143.280%0.80474%0.736SS**  trans-55.277.6163-84.473.8-150.700109.3L7L7-E9 PolarHBondContact O-N 3.24Å
10S53.8Low58.6Low91 Ų91141.5 Ų141.564%0.63674%0.735SS**  trans-77.4119161.7-56.70000104.1M8 Y12M8-S10 PolarHBondContact O-N 3Å; M8-S10 PolarHBondContact O-OG 3.26Å; S10-Y12 PolarHBondContact O-N 3.13Å
11N57.3Low58.6Low160 Ų160142 Ų14286%0.85673%0.734SS**  trans-59.282.6164.3-76.2-71.1000107.6I13N11-I13 VanDerWaalsContact C-N 3.26Å; N11-I13 PolarHBondContact O-N 3.46Å
12Y53.1Low58.4Low189 Ų189136.5 Ų136.574%0.74171%0.706SS**  trans-72.390.9175.1-167.8-90.3000105.5S10 D14S10-Y12 PolarHBondContact O-N 3.13Å; Y12-D14 VanDerWaalsContact C-N 3.29Å; Y12-D14 PolarHBondContact O-N 2.95Å
13I63.6Low58.6Low148 Ų148136.6 Ų136.676%0.75970%0.696SS**  trans-63.2102.6164.2-121.372.3000104.5N11 P15N11-I13 VanDerWaalsContact C-N 3.26Å; N11-I13 PolarHBondContact O-N 3.46Å; I13-P15 WeakPolarHBondContact O-CD 3.31Å
14D63Low58.6Low118 Ų118131.8 Ų131.863%0.63168%0.681SS**  trans-56.6119.3168-17527.2000106Y12 K16Y12-D14 VanDerWaalsContact C-N 3.29Å; Y12-D14 PolarHBondContact O-N 2.95Å; D14-K16 PolarHBondContact O-N 3.32Å
15P58.9Low58.9Low67 Ų67133.7 Ų133.744%0.43568%0.678SS.*  trans-57.8106.2176.822.9-31.7000107.1I13 F17I13-P15 WeakPolarHBondContact O-CD 3.31Å; P15-F17 HydrophobicContact CB-CE2 4.27Å; P15-F17 HydrophobicContact CG-CE2 3.92Å; P15-F17 WeakPolarHBondContact O-CD2 3.33Å; P15-F17 PolarHBondContact O-N 3.27Å
16K72.1Confident58.8Low182 Ų182133.9 Ų133.979%0.79167%0.671SS**  trans-66.186.8177.3-171.579174.6178.90106.8D14 P18D14-K16 PolarHBondContact O-N 3.32Å; K16-P18 WeakPolarHBondContact O-CD 3.45Å
17F64.4Low58.5Low164 Ų164131.8 Ų131.872%0.71967%0.673SS**PPolyproline II helixtrans-56.7125.4168.8-75.3-82.8000106.9P15P15-F17 HydrophobicContact CB-CE2 4.27Å; P15-F17 HydrophobicContact CG-CE2 3.92Å; P15-F17 WeakPolarHBondContact O-CD2 3.33Å; P15-F17 PolarHBondContact O-N 3.27Å
18P68.3Low57.8Low66 Ų66135.3 Ų135.343%0.42968%0.678SS.*PPolyproline II helixtrans-51137177.6-25.532.8000109.5K16 C20K16-P18 WeakPolarHBondContact O-CD 3.45Å; P18-C20 PolarHBondContact O-N 3.03Å
19P60.7Low57.4Low86 Ų86136.1 Ų136.156%0.55868%0.683SS**PPolyproline II helixtrans-49.5131.2172.6-22.231.5000109.2E21 E22P19-E21 PolarHBondContact O-N 3.27Å; P19-E22 PolarHBondContact O-N 3.47Å; P19-E22 VanDerWaalsContact O-N 3.11Å
20C53.3Low56.8Low108 Ų108132 Ų13273%0.7367%0.671SS**THydrogen-bonded Turntrans-52.1-21.5-176-170.20000113.4P18 E22 Y23P18-C20 PolarHBondContact O-N 3.03Å; C20-E22 VanDerWaalsContact C-N 3.26Å; C20-E22 PolarHBondContact O-N 2.99Å; C20-Y23 WeakPolarHBondContact O-CB 3.5Å; C20-Y23 PolarHBondContact O-N 3.18Å; C20-Y23 VanDerWaalsContact O-N 3.11Å
21E57.8Low56.5Low153 Ų153134.9 Ų134.972%0.71568%0.675SS**Hα-helixtrans-58.4-31.6178-71.4178.4153.200113.5P19 Y23 S24 Q25P19-E21 PolarHBondContact O-N 3.27Å; E21-Y23 VanDerWaalsContact C-N 3.28Å; E21-Y23 PolarHBondContact O-N 3.41Å; E21-S24 PolarHBondContact O-N 3.07Å; E21-S24 PolarHBondContact O-OG 3.03Å; E21-Q25 PolarHBondContact O-OE1 3.32Å
22E54Low56.1Low128 Ų128134.4 Ų134.460%0.59867%0.667SS**Hα-helixtrans-74.4-18.6178.3-109.7-176.6171.200113.7P19 C20 Q25P19-E22 PolarHBondContact O-N 3.47Å; P19-E22 VanDerWaalsContact O-N 3.11Å; C20-E22 VanDerWaalsContact C-N 3.26Å; C20-E22 PolarHBondContact O-N 2.99Å; E22-Q25 PolarHBondContact O-N 3.07Å
23Y54.2Low55.7Low174 Ų174127.9 Ų127.968%0.68265%0.65SS**Hα-helixtrans-76.3-23175.6-82.7-82.9000112.9C20 E21C20-Y23 WeakPolarHBondContact O-CB 3.5Å; C20-Y23 PolarHBondContact O-N 3.18Å; C20-Y23 VanDerWaalsContact O-N 3.11Å; E21-Y23 VanDerWaalsContact C-N 3.28Å; E21-Y23 PolarHBondContact O-N 3.41Å
24S55.7Low55.1Low87 Ų87125 Ų12561%0.60864%0.64SS**Hα-helixtrans-85.1-19.9171.9510000113.5E21E21-S24 PolarHBondContact O-N 3.07Å; E21-S24 PolarHBondContact O-OG 3.03Å
25Q53.3Low54.4Low145 Ų145125.1 Ų125.168%0.67864%0.637SS**Hα-helixtrans-81.6-23.6-174.3-124.477.36.600113.6E21 E22E21-Q25 PolarHBondContact O-OE1 3.32Å; E22-Q25 PolarHBondContact O-N 3.07Å
26N48.6Very low54Low111 Ų111130.5 Ų130.559%0.59465%0.65SS**SBendtrans-99.8113172.6-70.9-69.4000108.3Y28N26-Y28 PolarHBondContact O-N 3.18Å
27N50.1Low52.8Low152 Ų152132.3 Ų132.381%0.81365%0.653SS**  trans-56.536.9172.6-92.247.6000114.5I29N27-I29 VanDerWaalsContact C-N 3.25Å; N27-I29 PolarHBondContact O-N 3.44Å
28Y50.7Low52.3Low213 Ų213128.5 Ų128.584%0.83565%0.647SS**  trans-80.7-6.7-177.7-151.6-92.5000112.9N26 P30N26-Y28 PolarHBondContact O-N 3.18Å; Y28-P30 WeakPolarHBondContact O-CD 3.39Å
29I53.8Low51Low144 Ų144136.1 Ų136.174%0.73867%0.667SS**SBendtrans-96.7108.1159.8-62.6173.6000105.1N27 E31N27-I29 VanDerWaalsContact C-N 3.25Å; N27-I29 PolarHBondContact O-N 3.44Å; I29-E31 PolarHBondContact O-N 2.81Å
30P45.9Very low50.3Low85 Ų85135.6 Ų135.655%0.55267%0.67SS**  trans-50.2117.2163.6-2434000107.1Y28 H32Y28-P30 WeakPolarHBondContact O-CD 3.39Å; P30-H32 PolarHBondContact O-N 3.08Å
31E48.5Very low50.3Low153 Ų153142.1 Ų142.172%0.71568%0.68SS**  trans-6092.9171.8-140.8-91.5177.300105.1I29 S33I29-E31 PolarHBondContact O-N 2.81Å; E31-S33 PolarHBondContact O-N 3.24Å
32H48.4Very low49.4Very low149 Ų149141.7 Ų141.769%0.6968%0.682SS**  trans-70.596.9169.9-71-51000104.4P30P30-H32 PolarHBondContact O-N 3.08Å
33S44Very low49.3Very low53 Ų53142.5 Ų142.537%0.37170%0.696SS.*  trans-46.8143.4-17979.20000110.1E31 E35 Y36E31-S33 PolarHBondContact O-N 3.24Å; S33-E35 WeakPolarHBondContact CB-OE2 3.35Å; S33-E35 PolarHBondContact O-N 3.41Å; S33-E35 PolarHBondContact OG-OE2 3.06Å; S33-Y36 PolarHBondContact O-N 2.86Å
34P51.8Low48.9Very low86 Ų86137.4 Ų137.456%0.55870%0.696SS**THydrogen-bonded Turntrans-56.4-12.2-173.8-23.432.9000114.7Y36 S38P34-Y36 VanDerWaalsContact C-N 3.29Å; P34-Y36 PolarHBondContact O-N 2.64Å; P34-S38 WeakPolarHBondContact O-CB 3.49Å; P34-S38 PolarHBondContact O-N 2.96Å; P34-S38 PolarHBondContact O-OG 3.36Å
35E49.1Very low48Very low122 Ų122143.5 Ų143.557%0.5771%0.707SS**THydrogen-bonded Turntrans-69.1-20.5176.5-59.673.9-152.700113.3S33 Y37 S38 R39S33-E35 WeakPolarHBondContact CB-OE2 3.35Å; S33-E35 PolarHBondContact O-N 3.41Å; S33-E35 PolarHBondContact OG-OE2 3.06Å; E35-Y37 PolarHBondContact O-N 2.67Å; E35-S38 PolarHBondContact O-N 3.17Å; E35-R39 PolarHBondContact O-N 3.36Å
36Y48.5Very low47.8Very low180 Ų180145.8 Ų145.871%0.70672%0.718SS**THydrogen-bonded Turntrans-65.6-38.4-179.5-167.7-94.3000112.7S33 P34S33-Y36 PolarHBondContact O-N 2.86Å; P34-Y36 VanDerWaalsContact C-N 3.29Å; P34-Y36 PolarHBondContact O-N 2.64Å
37Y48.6Very low47.6Very low219 Ų219147.8 Ų147.886%0.85972%0.724SS**THydrogen-bonded Turntrans-88.7-13.2174.2-78.9-81.3000113.2E35E35-Y37 PolarHBondContact O-N 2.67Å
38S52.7Low47.6Very low84 Ų84147.5 Ų147.559%0.58772%0.717SS**  trans-101.812-173.8-52.60000114P34 E35 A40P34-S38 WeakPolarHBondContact O-CB 3.49Å; P34-S38 PolarHBondContact O-N 2.96Å; P34-S38 PolarHBondContact O-OG 3.36Å; E35-S38 PolarHBondContact O-N 3.17Å; S38-A40 PolarHBondContact O-N 3.16Å
39R42.5Very low47.3Very low226 Ų226146 Ų14685%0.85372%0.718SS**  trans-68.283.6171.4-141.2-168.9-149.5-177.19.3109.8E35E35-R39 PolarHBondContact O-N 3.36Å
40A44.3Very low46.7Very low75 Ų75146.2 Ų146.262%0.6272%0.715SS**  trans-51.9153.6160.700000109.3S38 D42S38-A40 PolarHBondContact O-N 3.16Å; A40-D42 PolarHBondContact O-N 3.07Å
41R54.2Low46.9Very low246 Ų246150.1 Ų150.193%0.92873%0.726SS**  trans-58.797.1-178.8-66.3-177.5169.5-175.5-3.2111
42D38.3Very low46.8Very low144 Ų144150.4 Ų150.477%0.7773%0.732SS**  trans-89.4106.3164.2-86.2-56.7000110.6A40 G44A40-D42 PolarHBondContact O-N 3.07Å; D42-G44 PolarHBondContact O-N 2.85Å
43T52.6Low46.6Very low145 Ų145153.9 Ų153.989%0.8974%0.741SS**  trans-42.9106.5153.3-2.30000110.4
44G46Very low47.1Very low67 Ų67156.8 Ų156.869%0.69176%0.758SS**  trans166.19.317300000120.4D42D42-G44 PolarHBondContact O-N 2.85Å
45Y36.8Very low47.6Very low214 Ų214158 Ų15884%0.83977%0.766SS**  trans-122.9101174.2-105.8-96.2000111.8H47Y45-H47 AromaticContact CD1-CD2 3.97Å; Y45-H47 PolarHBondContact O-N 3.37Å
46Q49.4Very low47.6Very low193 Ų193158.3 Ų158.390%0.90278%0.779SS**  trans-66.2108.2159.8-79-139.6-62.100108.8
47H43Very low47.3Very low153 Ų153160.5 Ų160.571%0.70879%0.786SS**  trans-110.8100.8156.2-102.5-80.5000109Y45 H49Y45-H47 AromaticContact CD1-CD2 3.97Å; Y45-H47 PolarHBondContact O-N 3.37Å; H47-H49 PolarHBondContact O-N 3.3Å
48H50.8Low47.4Very low147 Ų147155.3 Ų155.368%0.68179%0.788SS**  trans-64.396.8166.9-174.975.8000109.2
49H44.8Very low47.1Very low182 Ų182154.6 Ų154.684%0.84378%0.783SS**  trans-140.1124.2152-83-73000109.9H47H47-H49 PolarHBondContact O-N 3.3Å
50Q40.3Very low46.9Very low147 Ų147154.9 Ų154.969%0.68779%0.786SS**  trans-95.1135.8-158.2-164.2164.231.300108.9
51E50.3Low46.9Very low167 Ų167160.5 Ų160.578%0.7880%0.799SS**  trans61.489.5140.3-56.9-69.7121.900119.3
52L46.8Very low46.2Very low160 Ų160156.6 Ų156.684%0.83879%0.791SS**  trans-144.411.8158.3-104166.5000115.8
53Y45Very low46.3Very low222 Ų222158.8 Ų158.887%0.87179%0.789SS**  trans-135.5120.2173.4-77.5-80.9000111.8
54P53.5Low45.8Very low114 Ų114159.6 Ų159.674%0.7478%0.782SS**PPolyproline II helixtrans-65.2140170.6-11.925.7000110
55P62.9Low45.3Very low112 Ų112165.5 Ų165.573%0.72779%0.785SS**PPolyproline II helixtrans-67.8154175.427.2-32.4000111.3R57P55-R57 PolarHBondContact O-N 2.87Å
56P48Very low45.9Very low128 Ų128161.9 Ų161.983%0.83178%0.78SS**PPolyproline II helixtrans-64.9122.51761.98.8000109.3A58P56-A58 PolarHBondContact O-N 3.48Å; P56-A58 VanDerWaalsContact O-N 3.12Å
57R43.4Very low45.3Very low226 Ų226159.1 Ų159.185%0.85378%0.781SS**  trans-65.5113.4176.1-155.8-173.9-173.5169.43.3109.3P55 S59P55-R57 PolarHBondContact O-N 2.87Å; R57-S59 PolarHBondContact O-N 3.33Å
58A49.9Very low45.5Very low109 Ų109154.7 Ų154.790%0.90177%0.77SS**  trans-69.580.9165.900000109.5P56P56-A58 PolarHBondContact O-N 3.48Å; P56-A58 VanDerWaalsContact O-N 3.12Å
59S47.3Very low44.8Very low70 Ų70153.4 Ų153.449%0.4978%0.778SS.*  trans-164.575.3165.162.60000109.5R57R57-S59 PolarHBondContact O-N 3.33Å
60Y37.8Very low44.7Very low232 Ų232152.6 Ų152.691%0.9178%0.778SS**  trans-124.8112.3153.3-110.6-91.4000107.5E62Y60-E62 PolarHBondContact O-N 2.91Å
61Q43.5Very low44.8Very low192 Ų192151.3 Ų151.390%0.89778%0.783SS**  trans-60.6120.9170.2-73.9170.2-27.100108.1R63Q61-R63 PolarHBondContact O-N 3.05Å
62E39.5Very low44.3Very low165 Ų165150.5 Ų150.577%0.77178%0.779SS**  trans-59.299.7169.7-171.5-173.6154.800108.9Y60 Q64Y60-E62 PolarHBondContact O-N 2.91Å; E62-Q64 PolarHBondContact O-N 3.1Å
63R41.5Very low44.5Very low190 Ų190147.3 Ų147.372%0.71777%0.768SS**  trans-81.798167.2-168.4-174.1-103.7-111.19.2107.1Q61 Y65Q61-R63 PolarHBondContact O-N 3.05Å; R63-Y65 HydrophobicContact CB-CE2 4.09Å; R63-Y65 VanDerWaalsContact CD-CE1 3.49Å; R63-Y65 WeakPolarHBondContact CD-OH 3.48Å; R63-Y65 HydrophobicContact CG-CE1 4.2Å; R63-Y65 HydrophobicContact CG-CE2 4.14Å; R63-Y65 WeakPolarHBondContact O-CD2 3.36Å; R63-Y65 PolarHBondContact O-N 2.92Å
64Q41.2Very low43.7Very low161 Ų161143.5 Ų143.575%0.75276%0.763SS**  trans-59.8105.3167.7-74.6172.6-2800108.9E62 N66E62-Q64 PolarHBondContact O-N 3.1Å; Q64-N66 PolarHBondContact O-N 3.41Å
65Y35.8Very low43.3Very low192 Ų192143.7 Ų143.775%0.75376%0.762SS**  trans-83.797.5168.3-65.5-82.7000108.4R63 C67R63-Y65 HydrophobicContact CB-CE2 4.09Å; R63-Y65 VanDerWaalsContact CD-CE1 3.49Å; R63-Y65 WeakPolarHBondContact CD-OH 3.48Å; R63-Y65 HydrophobicContact CG-CE1 4.2Å; R63-Y65 HydrophobicContact CG-CE2 4.14Å; R63-Y65 WeakPolarHBondContact O-CD2 3.36Å; R63-Y65 PolarHBondContact O-N 2.92Å; Y65-C67 PolarHBondContact O-N 2.8Å
66N48.4Very low42.7Very low138 Ų138144 Ų14474%0.73876%0.764SS**  trans-70.4108.6169.6-179.754.7000109.7Q64 A68Q64-N66 PolarHBondContact O-N 3.41Å; N66-A68 VanDerWaalsContact C-N 3.32Å; N66-A68 PolarHBondContact O-N 3.28Å
67C37.3Very low42.1Very low134 Ų134148.7 Ų148.791%0.90577%0.765SS**  trans-896517562.70000111.2Y65Y65-C67 PolarHBondContact O-N 2.8Å
68A48.6Very low41.6Very low60 Ų60141.2 Ų141.250%0.49676%0.758SS.*  trans-144.492.8169.600000108.9N66N66-A68 VanDerWaalsContact C-N 3.32Å; N66-A68 PolarHBondContact O-N 3.28Å
69S34.5Very low41.1Very low120 Ų120144.6 Ų144.684%0.83976%0.755SS**  trans174.394.6152.6-750000108.8
70I43.8Very low40.2Very low165 Ų165145 Ų14585%0.84677%0.771SS**  trans-89.6132.6161.6-64.8176.8000106.9
71P41.3Very low40.2Very low120 Ų120141.9 Ų141.978%0.77977%0.768SS**  trans-111.9113.3148.214.94.3000110.2
72E40.7Very low40.7Very low151 Ų151137.5 Ų137.571%0.70676%0.756SS**  trans-63160.9142.2-103.4-95.7130.300108.5
73P49.9Very low40.4Very low93 Ų93137.7 Ų137.760%0.60476%0.756SS**  cis-139.6-17534.333.8-7.7000112.1
74D29.8Very low40.2Very low142 Ų142133.6 Ų133.676%0.75976%0.757SS**  -160.7144.651.2-84.7-54.8000112.5
75T43.9Very low39.7Very low118 Ų118130.2 Ų130.272%0.72476%0.757SS**  trans-84.7166160.957.20000110.6
76P49.9Very low39.7Very low118 Ų118129.1 Ų129.177%0.76676%0.758SS**  -145.7135104.132.9-14.9000116.1
77R37Very low39.1Very low227 Ų227128.3 Ų128.386%0.85775%0.753SS**  76.8119.8115.1-163.9172.3169.9-177.9-2.9121.1
78G31.4Very low39Very low69 Ų69128.5 Ų128.571%0.71175%0.745SS**  trans133.1128.5149.700000112.5
79H39.4Very low38.2Very low179 Ų179131.6 Ų131.683%0.82976%0.757SS**  cis173.9138.6-9-118.444.6000104.5
80G29.1Very low38Very low80 Ų80129.2 Ų129.283%0.82575%0.752SS**  trans103.2106.2151.700000120.1
81I38.1Very low37.5Very low166 Ų166131.7 Ų131.785%0.85176%0.756SS**  trans-106.8167.9142.3-28.8-175.6000104.1
82P53.9Low37.1Very low99 Ų99130 Ų13064%0.64376%0.761SS**  cis-145.3-171.46.2237.6000117.2
83H32.5Very low36.7Very low169 Ų169131.4 Ų131.478%0.78277%0.768SS**  trans107.7127.4150.5-84.9-85.1000123.3
84S37.9Very low36.4Very low104 Ų104132.7 Ų132.773%0.72778%0.776SS**  trans67113.5135.8-810000124.5
85A30.6Very low36.4Very low91 Ų91130 Ų13075%0.75277%0.774SS**  65.4125.7110.700000123
86H35.7Very low35.8Very low168 Ų168129.8 Ų129.878%0.77878%0.777SS**  trans90.9142.8130.9-146.8-136.8000120.9
87L34.8Very low34.7Very low122 Ų122130.7 Ų130.764%0.63979%0.785SS**  trans85.2132.6159.3-63.4175.1000117.7
88L36.4Very low34.3Very low138 Ų138128.8 Ų128.872%0.72379%0.785SS**  cis-167.2150.818.1-100.4152.6000112.8
89T31.6Very low34.4Very low124 Ų124131.1 Ų131.176%0.76179%0.786SS**  trans68.8129.2131.1-700000124.2
90G31.1Very low34.6Very low70 Ų70128.6 Ų128.672%0.72279%0.785SS**  trans157.164.5149.400000113.6
91K32.7Very low34.6Very low217 Ų217133 Ų13394%0.94378%0.784SS**  43.7112.3102.3-106.3167.4174.4173.60115.9
92G33.1Very low34.4Very low86 Ų86133.5 Ų133.589%0.88779%0.788SS**  trans176.678.1167.700000113.5
93Q32.7Very low33.6Very low179 Ų179133.1 Ų133.184%0.83679%0.787SS**  trans-123.1147.9160.8-146.7-170.41.800106.4
94P43.5Very low33.7Very low121 Ų121133 Ų13379%0.78679%0.79SS**  -149.8165.6100.235.9-17.6000116.7
95A30.1Very low34Very low85 Ų85133.2 Ų133.270%0.70279%0.791SS**  trans64.810915400000118.2
96S30.3Very low34.9Very low113 Ų113134.8 Ų134.879%0.7979%0.793SS**  67.6112.963.2-160.80000114.4
97C27Very low35Very low138 Ų138131.1 Ų131.193%0.93279%0.792SS**  trans-153.5151.8147.1-93.60000109.9
98E28.7Very low35.7Very low186 Ų186131.6 Ų131.687%0.86980%0.8SS**  trans-93.8162.6-150-160.2171.310900114.2
99T33Very low36.5Very low118 Ų118130.6 Ų130.672%0.72480%0.802SS**  trans-51.3160.2174.22.40000115.7
100P43.6Very low37.3Very low126 Ų126130.3 Ų130.382%0.81880%0.802SS**  -138.1153.18726.7-6.7000115.7
101Q29.3Very low38Very low173 Ų173131.9 Ų131.981%0.80881%0.809SS**  trans-50.6143.8170.3-72.9-151.2-6200113.2
102L34.1Very low38.2Very low177 Ų177126 Ų12693%0.92780%0.8SS**  trans-145131.9130.4-84.2-179.3000110.9
103S36.1Very low38.7Very low90 Ų90126.7 Ų126.763%0.62980%0.797SS**  trans-57149170.7179.60000112.3
104M36.5Very low39.1Very low168 Ų168123.9 Ų123.983%0.82880%0.798SS**  trans168.5110.7131.8-83.9-76.695.100110.6
105S43Very low39Very low108 Ų108122.7 Ų122.776%0.75580%0.798SS**  trans-74.1157.6155.2-63.60000109.9
106P50.3Low39.1Very low124 Ų124123.5 Ų123.581%0.80580%0.798SS**  -139.2133.2102.917.64.3000112
107A37.7Very low39.7Very low91 Ų91125.7 Ų125.775%0.75280%0.8SS**  79.3100.481.600000113.6
108T49.2Very low40.4Very low132 Ų132128 Ų12881%0.8180%0.797SS**PPolyproline II helixtrans-50.5134161.2-30.40000111.3
109P52.4Low40.8Very low116 Ų116123.4 Ų123.475%0.75379%0.791SS**PPolyproline II helixtrans-77.9136.5165.728.9-29000110.2
110P50.1Low41.3Very low119 Ų119123.1 Ų123.177%0.77379%0.79SS**PPolyproline II helixtrans-80.7155.7-17832.6-33.3000112.1A112P110-A112 PolarHBondContact O-N 2.78Å
111A44.3Very low41.3Very low103 Ų103123.1 Ų123.185%0.85179%0.79SS**  trans-54.4114.6167.700000110.5A113A111-A113 PolarHBondContact O-N 3.12Å
112A38.1Very low42.1Very low93 Ų93122.2 Ų122.277%0.76979%0.785SS**  trans-78.8111.2168.300000108.8P110 S114P110-A112 PolarHBondContact O-N 2.78Å; A112-S114 PolarHBondContact O-N 3Å
113A43.5Very low42.7Very low100 Ų100122.5 Ų122.583%0.82678%0.782SS**  trans-67.5112158.800000108.2A111 A115A111-A113 PolarHBondContact O-N 3.12Å; A113-A115 PolarHBondContact O-N 3.04Å
114S40.5Very low43.5Very low121 Ų121123.2 Ų123.285%0.84678%0.784SS**  trans-84.591.3164.8-84.10000109A112A112-S114 PolarHBondContact O-N 3Å
115A40.9Very low43.9Very low96 Ų96122.2 Ų122.279%0.79378%0.782SS**  trans-89.1110.6147.900000107.2A113A113-A115 PolarHBondContact O-N 3.04Å
116C32.5Very low43.7Very low102 Ų102122 Ų12269%0.68978%0.781SS**  trans-145.8104.7160.4-174.60000108.2
117N43.9Very low43.7Very low159 Ų159122.5 Ų122.585%0.8578%0.781SS**  trans-67.8128.6160.6-65.4-65.9000108
118Q40.2Very low44.2Very low186 Ų186124.4 Ų124.487%0.86978%0.784SS**  trans-147.7146152.1-135165.591.300111.5
119A38.2Very low44.3Very low89 Ų89122.9 Ų122.974%0.73678%0.778SS**  trans-68.7156-154.500000115.6
120T42.8Very low44.3Very low113 Ų113122 Ų12269%0.69377%0.774SS**  trans-50.3144.1162.434.90000113
121P44Very low44.7Very low126 Ų126125.6 Ų125.682%0.81878%0.778SS**  trans-110.8115135.730-19.4000108.8
122E46Very low45.7Very low153 Ų153128.4 Ų128.472%0.71577%0.774SS**  trans-65.6121.1171.7-59.9-8011300110.1
123H46.9Very low47.6Very low184 Ų184128.9 Ų128.985%0.85277%0.769SS**  trans-174.8156.2144.3-107-67.6000110.5
124P51.9Low49.6Very low105 Ų105129.1 Ų129.168%0.68276%0.76SS**  -110.7154.3-11134.7-21.4000113.7
125N45.2Very low51.9Low146 Ų146127.3 Ų127.378%0.78174%0.744SS**  trans44.388.3152-156.232.3000117
126S39.9Very low54.2Low105 Ų105128.9 Ų128.973%0.73473%0.73SS**  trans-140.2111.3147.9-78.20000108.2V128S126-V128 VanDerWaalsContact C-N 3.25Å; S126-V128 PolarHBondContact O-N 3.18Å
127T49Very low56.8Low133 Ų133128.8 Ų128.882%0.81673%0.728SS**  trans-59.384.2171.937.90000109.7S129T127-S129 PolarHBondContact O-N 2.92Å
128V48.5Very low59Low132 Ų132130.5 Ų130.580%0.872%0.723SS**  trans-73.185169.1-176.50000107S126 S130S126-V128 VanDerWaalsContact C-N 3.25Å; S126-V128 PolarHBondContact O-N 3.18Å; V128-S130 PolarHBondContact O-N 3.03Å
129S52.5Low61.2Low100 Ų100125.5 Ų125.570%0.69970%0.7SS**  trans-55.1105.3164-177.90000107.3T127 K131T127-S129 PolarHBondContact O-N 2.92Å; S129-K131 VanDerWaalsContact C-N 3.34Å; S129-K131 PolarHBondContact O-N 2.95Å
130S50.6Low63.4Low96 Ų96127.4 Ų127.467%0.67169%0.692SS**  trans-60.993179.553.90000109.2V128 Q132V128-S130 PolarHBondContact O-N 3.03Å; S130-Q132 PolarHBondContact O-N 2.82Å
131K60.1Low65.2Low196 Ų196128.7 Ų128.785%0.85269%0.688SS**  trans-66.899.9173.9-64.1-171.7-178-179.80107.7S129S129-K131 VanDerWaalsContact C-N 3.34Å; S129-K131 PolarHBondContact O-N 2.95Å
132Q64.6Low66.6Low162 Ų162129.7 Ų129.776%0.75769%0.685SS**  trans-51.5131.7170.3-74.4-76-5.600108.8S130 V134S130-Q132 PolarHBondContact O-N 2.82Å; Q132-V134 PolarHBondContact O-N 2.94Å
133P78.9Confident67.5Low103 Ų103130.3 Ų130.367%0.66969%0.687SS**  trans-60.3130.7-178.823.3-31.9000110.4V135P133-V135 PolarHBondContact O-N 3.09Å; P133-V135 VanDerWaalsContact O-N 3.16Å
134V85.3Confident67.9Low104 Ų104124 Ų12463%0.6366%0.662SS**  trans-68.2112.1-179.9178.40000109.5Q132 Y136 M139Q132-V134 PolarHBondContact O-N 2.94Å; V134-Y136 HydrophobicContact CG1-CD1 4.4Å; V134-Y136 HydrophobicContact CG1-CE1 4.03Å; V134-Y136 PolarHBondContact O-N 3.26Å; V134-M139 WeakPolarHBondContact O-CE 3.15Å
135V87.6Confident67.9Low84 Ų84124.7 Ų124.751%0.50967%0.669SS.*  trans-89.599.2177-175.40000111P133 M139 K140P133-V135 PolarHBondContact O-N 3.09Å; P133-V135 VanDerWaalsContact O-N 3.16Å; V135-M139 HydrophobicContact CG1-CB 4.08Å; V135-M139 HydrophobicContact CG1-CE 4.42Å; V135-K140 HydrophobicContact CG1-CG 4.02Å
136Y90Very high68.3Low129 Ų129124.2 Ų124.251%0.50667%0.672SS.*  trans-62.4150.6174.3-59.9-70.6000113.1V134 W138 M139V134-Y136 HydrophobicContact CG1-CD1 4.4Å; V134-Y136 HydrophobicContact CG1-CE1 4.03Å; V134-Y136 PolarHBondContact O-N 3.26Å; Y136-W138 VanDerWaalsContact C-N 3.27Å; Y136-W138 VanDerWaalsContact CB-NE1 3.31Å; Y136-W138 AromaticContact CD2-NE1 3.95Å; Y136-W138 AromaticContact CG-NE1 3.82Å; Y136-W138 PolarHBondContact O-N 2.71Å; Y136-W138 VanDerWaalsContact O-N 3.14Å; Y136-M139 HydrophobicContact CD2-CE 3.43Å; Y136-M139 VanDerWaalsContact CD2-CE 3.43Å; Y136-M139 HydrophobicContact CD2-SD 4.45Å; Y136-M139 HydrophobicContact CE2-CE 4.33Å; Y136-M139 HydrophobicContact CG-CE 4.06Å; Y136-M139 WeakPolarHBondContact O-CB 3.36Å; Y136-M139 PolarHBondContact O-N 3.27Å
137P87.8Confident68.8Low100 Ų100124.9 Ų124.965%0.64967%0.671SS**G310 helixtrans-54.3-34.8-177.6-29.136.1000115.4M139 K140P137-M139 VanDerWaalsContact C-N 3.28Å; P137-M139 PolarHBondContact O-N 3.46Å; P137-K140 WeakPolarHBondContact O-CB 3.4Å; P137-K140 PolarHBondContact O-N 3Å
138W88.3Confident68.9Low194 Ų194124.7 Ų124.774%0.73567%0.665SS**G310 helixtrans-71-22.5178.465.8-94.3000113.5Y136 K140Y136-W138 VanDerWaalsContact C-N 3.27Å; Y136-W138 VanDerWaalsContact CB-NE1 3.31Å; Y136-W138 AromaticContact CD2-NE1 3.95Å; Y136-W138 AromaticContact CG-NE1 3.82Å; Y136-W138 PolarHBondContact O-N 2.71Å; Y136-W138 VanDerWaalsContact O-N 3.14Å; W138-K140 VanDerWaalsContact C-N 3.27Å
139M87.4Confident69.2Low81 Ų81125 Ų12540%0.39967%0.673SS.*G310 helixtrans-79.9-12.4175.3-63-167.1-63.100112.1V134 V135 Y136 P137V134-M139 WeakPolarHBondContact O-CE 3.15Å; V135-M139 HydrophobicContact CG1-CB 4.08Å; V135-M139 HydrophobicContact CG1-CE 4.42Å; Y136-M139 HydrophobicContact CD2-CE 3.43Å; Y136-M139 VanDerWaalsContact CD2-CE 3.43Å; Y136-M139 HydrophobicContact CD2-SD 4.45Å; Y136-M139 HydrophobicContact CE2-CE 4.33Å; Y136-M139 HydrophobicContact CG-CE 4.06Å; Y136-M139 WeakPolarHBondContact O-CB 3.36Å; Y136-M139 PolarHBondContact O-N 3.27Å; P137-M139 VanDerWaalsContact C-N 3.28Å; P137-M139 PolarHBondContact O-N 3.46Å
140K83.6Confident69.3Low130 Ų130123.1 Ų123.157%0.56567%0.669SS**SBendtrans-79.1130.8176-59.2-177.9177.4178.80109.5V135 P137 W138 I142V135-K140 HydrophobicContact CG1-CG 4.02Å; P137-K140 WeakPolarHBondContact O-CB 3.4Å; P137-K140 PolarHBondContact O-N 3Å; W138-K140 VanDerWaalsContact C-N 3.27Å; K140-I142 PolarHBondContact O-N 3.14Å
141K80.3Confident69.1Low139 Ų139127.9 Ų127.960%0.60467%0.674SS**  trans-71.998.5178.8-68.5176.369.6-155.60110.5H143 V144K141-H143 PolarHBondContact O-N 3.44Å; K141-H143 VanDerWaalsContact O-N 3.07Å; K141-V144 HydrophobicContact CB-CG2 4.23Å; K141-V144 PolarHBondContact O-N 2.8Å
142I74.8Confident68.9Low147 Ų147126.5 Ų126.575%0.75468%0.676SS**THydrogen-bonded Turntrans-58-24.3-175.5-61.1163.2000113.6K140 V144K140-I142 PolarHBondContact O-N 3.14Å; I142-V144 VanDerWaalsContact C-N 3.28Å; I142-V144 PolarHBondContact O-N 3.23Å
143H63.6Low68.4Low166 Ų166120.8 Ų120.877%0.76966%0.66SS**THydrogen-bonded Turntrans-78.30.3-175.1-76.7-73.9000116K141K141-H143 PolarHBondContact O-N 3.44Å; K141-H143 VanDerWaalsContact O-N 3.07Å
144V55.8Low67.4Low52 Ų52123.1 Ų123.132%0.31567%0.673SS.*SBendtrans-109.2-19.6-165.71710000114.2K141 I142 T146 E155K141-V144 HydrophobicContact CB-CG2 4.23Å; K141-V144 PolarHBondContact O-N 2.8Å; I142-V144 VanDerWaalsContact C-N 3.28Å; I142-V144 PolarHBondContact O-N 3.23Å; V144-T146 PolarHBondContact O-N 3.39Å; V144-E155 WeakPolarHBondContact CG1-OE2 3.47Å; V144-E155 VanDerWaalsContact CG2-OE2 3.23Å; V144-E155 WeakPolarHBondContact CG2-OE2 3.46Å
145S51.5Low66.1Low119 Ų119122.4 Ų122.483%0.83266%0.663SS**THydrogen-bonded Turntrans-88.1-6.6-161.8-115.60000117.6
146T55.1Low64.8Low137 Ų137124 Ų12484%0.8468%0.675SS**THydrogen-bonded Turntrans-97.5-7.1-165-134.20000116.6V144V144-T146 PolarHBondContact O-N 3.39Å
147V50.5Low64Low118 Ų118126.4 Ų126.472%0.71569%0.688SS**SBendtrans-134.8-9.6-175-70.60000118.9
148N50.2Low63.5Low129 Ų129132.1 Ų132.169%0.6970%0.696SS**  trans-164.9105.4169.7-98.7-21.5000112.3G150N148-G150 PolarHBondContact O-N 3.46Å; N148-G150 VanDerWaalsContact O-N 3.15Å
149S55.4Low63.3Low140 Ų140128.2 Ų128.298%0.97970%0.699SS**THydrogen-bonded Turntrans-79.817.7179.8-158.80000114.1
150G53.8Low63.4Low59 Ų59135.6 Ų135.661%0.60872%0.722SS**THydrogen-bonded Turntrans-126.60-167.900000117.2N148N148-G150 PolarHBondContact O-N 3.46Å; N148-G150 VanDerWaalsContact O-N 3.15Å
151Y46.1Very low63.9Low197 Ų197135.1 Ų135.177%0.77373%0.731SS**  trans-111.695.6-179.4-102.7-94.5000112.3G153Y151-G153 PolarHBondContact O-N 3.42Å; Y151-G153 VanDerWaalsContact O-N 3.17Å
152N57.2Low64.6Low167 Ų167132.6 Ų132.689%0.89374%0.735SS**  trans-78.485.8166.2-50-30.5000107.8
153G53.4Low65.8Low42 Ų42129 Ų12943%0.43371%0.713SS.*SBendtrans-178.3100.1177.700000112.4Y151 E155Y151-G153 PolarHBondContact O-N 3.42Å; Y151-G153 VanDerWaalsContact O-N 3.17Å; G153-E155 PolarHBondContact O-N 2.95Å; G153-E155 VanDerWaalsContact O-N 3.08Å
154T58.3Low67.4Low152 Ų152124.7 Ų124.793%0.93370%0.698SS**  trans3762.3157.953.40000115
155E57.2Low69.4Low88 Ų88131.9 Ų131.941%0.41172%0.72SS.*PPolyproline II helixtrans-66.6138.2-177.1-101.1-162.2149.800112.5V144 G153 K157V144-E155 WeakPolarHBondContact CG1-OE2 3.47Å; V144-E155 VanDerWaalsContact CG2-OE2 3.23Å; V144-E155 WeakPolarHBondContact CG2-OE2 3.46Å; G153-E155 PolarHBondContact O-N 2.95Å; G153-E155 VanDerWaalsContact O-N 3.08Å; E155-K157 PolarHBondContact O-N 2.85Å
156P60.2Low71.7Confident118 Ų118132.8 Ų132.877%0.76671%0.711SS**PPolyproline II helixtrans-61.9123.1-178.8-17.228.9000110.5R158P156-R158 PolarHBondContact O-N 2.98Å; P156-R158 VanDerWaalsContact O-N 3.1Å
157K73.5Confident73.7Confident179 Ų179127.6 Ų127.678%0.77868%0.677SS**PPolyproline II helixtrans-54.2123160.1-78.685.9169.2-173.50106.1E155 S159E155-K157 PolarHBondContact O-N 2.85Å; K157-S159 PolarHBondContact O-N 3.49Å
158R76.8Confident76Confident220 Ų220124.2 Ų124.283%0.8366%0.657SS**  trans-48.4106.9173.3-101.4-175.8-179.9175.11.6108.2P156 R160P156-R158 PolarHBondContact O-N 2.98Å; P156-R158 VanDerWaalsContact O-N 3.1Å; R158-R160 PolarHBondContact O-N 3.48Å
159S84.3Confident78.3Confident113 Ų113121.8 Ų121.879%0.7964%0.643SS**PPolyproline II helixtrans-66132.9180-1750000108.5K157K157-S159 PolarHBondContact O-N 3.49Å
160R90.6Very high80.4Confident236 Ų236118.1 Ų118.189%0.89161%0.611SS**PPolyproline II helixtrans-85.2118.5177.4-71.2178.8175.9-96.71.9108.2R158R158-R160 PolarHBondContact O-N 3.48Å
161T93.6Very high82.5Confident120 Ų120115.3 Ų115.374%0.73658%0.582SS**PPolyproline II helixtrans-74.9127.6168.8-44.50000109.5
162A95.6Very high85Confident85 Ų85109.2 Ų109.270%0.70256%0.56SS**PPolyproline II helixtrans-84.1146172.500000110.5
163Y98.3Very high87Confident72 Ų72107 Ų10728%0.28254%0.543SS..PPolyproline II helixtrans-79.6146.5170.9-60-49.5000110.3L195 W203Y163-L195 HydrophobicContact CD1-CD1 4.11Å; Y163-L195 HydrophobicContact CD1-CD2 3.9Å; Y163-L195 HydrophobicContact CE1-CD1 4.04Å; Y163-L195 HydrophobicContact CE1-CD2 3.71Å; Y163-W203 AromaticContact CD2-CD1 3.85Å; Y163-W203 AromaticContact CE2-CD1 3.62Å
164T98.6Very high89.1Confident75 Ų75105.7 Ų105.746%0.4653%0.525SS..PPolyproline II helixtrans-69.1159.3174.874.50000110.4Q166 Q167 V168T164-Q166 VanDerWaalsContact C-N 3.27Å; T164-Q166 PolarHBondContact O-N 2.84Å; T164-Q167 PolarHBondContact O-N 3.07Å; T164-Q167 VanDerWaalsContact OG1-CG 3.31Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.38Å; T164-Q167 PolarHBondContact OG1-N 3.45Å; T164-V168 WeakPolarHBondContact O-CG2 3.28Å; T164-V168 PolarHBondContact O-N 3.15Å
165R98.3Very high91Very high203 Ų20398.5 Ų98.577%0.76648%0.481SS*.Hα-helixtrans-56.6-42.7177.6-174.7171.4-177.4-87.2-1112V168 L169R165-V168 PolarHBondContact O-N 3.33Å; R165-L169 HydrophobicContact CG-CD1 4.18Å; R165-L169 WeakPolarHBondContact O-CG 3.33Å; R165-L169 PolarHBondContact O-N 2.83Å
166Q98.3Very high93Very high138 Ų138100.1 Ų100.165%0.64549%0.488SS*.Hα-helixtrans-61-45.5177.5-178.5-176.3-1400111.9T164 V168 L169 E170T164-Q166 VanDerWaalsContact C-N 3.27Å; T164-Q166 PolarHBondContact O-N 2.84Å; Q166-V168 VanDerWaalsContact C-N 3.32Å; Q166-V168 PolarHBondContact O-N 3.26Å; Q166-L169 PolarHBondContact O-N 3.41Å; Q166-E170 PolarHBondContact O-N 3.38Å; Q166-E170 VanDerWaalsContact O-N 3.07Å
167Q98.5Very high94.8Very high29 Ų29103.6 Ų103.614%0.13649%0.487CS..Hα-helixtrans-59.3-44.3177.3-72.6171.9-26.700111.4T164 L171 L193T164-Q167 PolarHBondContact O-N 3.07Å; T164-Q167 VanDerWaalsContact OG1-CG 3.31Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.38Å; T164-Q167 PolarHBondContact OG1-N 3.45Å; Q167-L171 WeakPolarHBondContact O-CB 3.39Å; Q167-L171 WeakPolarHBondContact O-CD1 3.35Å; Q167-L171 WeakPolarHBondContact O-CG 3.48Å; Q167-L171 PolarHBondContact O-N 2.88Å; Q167-L193 HydrophobicContact CG-CB 4.32Å; Q167-L193 PolarHBondContact NE2-O 3.49Å
168V98.5Very high95.9Very high47 Ų4798.4 Ų98.429%0.28547%0.468SS..Hα-helixtrans-62.4-44.6178.4176.90000111.2T164 R165 Q166 L171 E172T164-V168 WeakPolarHBondContact O-CG2 3.28Å; T164-V168 PolarHBondContact O-N 3.15Å; R165-V168 PolarHBondContact O-N 3.33Å; Q166-V168 VanDerWaalsContact C-N 3.32Å; Q166-V168 PolarHBondContact O-N 3.26Å; V168-L171 PolarHBondContact O-N 2.67Å; V168-E172 HydrophobicContact CG1-CG 4.36Å; V168-E172 WeakPolarHBondContact O-CB 3.34Å; V168-E172 WeakPolarHBondContact O-CG 3.48Å; V168-E172 PolarHBondContact O-N 3.41Å
169L98.5Very high96.9Very high78 Ų7892.3 Ų92.341%0.40845%0.445SS..Hα-helixtrans-63.1-45.3-179-70.8172.9000112.5R165 Q166 E172 K173R165-L169 HydrophobicContact CG-CD1 4.18Å; R165-L169 WeakPolarHBondContact O-CG 3.33Å; R165-L169 PolarHBondContact O-N 2.83Å; Q166-L169 PolarHBondContact O-N 3.41Å; L169-E172 PolarHBondContact O-N 3.11Å; L169-K173 WeakPolarHBondContact O-CB 3.5Å; L169-K173 PolarHBondContact O-N 3.46Å
170E98.5Very high97.6Very high63 Ų6393.7 Ų93.729%0.29443%0.434SS..Hα-helixtrans-65.8-38.8177-72.6-64.3153.400111.7Q166 E172 K173 E174 L193Q166-E170 PolarHBondContact O-N 3.38Å; Q166-E170 VanDerWaalsContact O-N 3.07Å; E170-E172 VanDerWaalsContact C-N 3.35Å; E170-E172 PolarHBondContact O-N 2.91Å; E170-K173 PolarHBondContact O-N 2.82Å; E170-K173 IonicContact OE1-NZ 3.07Å; E170-K173 IonicContact OE2-NZ 3.54Å; E170-K173 PolarHBondContact OE2-NZ 3.09Å; E170-E174 WeakPolarHBondContact O-CB 3.19Å; E170-E174 WeakPolarHBondContact O-CG 3.5Å; E170-E174 PolarHBondContact O-N 3.32Å; E170-L193 HydrophobicContact CB-CD1 4.06Å; E170-L193 HydrophobicContact CB-CD2 3.67Å; E170-L193 HydrophobicContact CB-CG 4.44Å; E170-L193 HydrophobicContact CG-CD2 3.92Å
171L98.6Very high97.9Very high0 Ų083.8 Ų83.80%040%0.398CS..Hα-helixtrans-63.5-40.2174.3-71.2167.2000112.2Q167 V168 F175 I189 L193 L195 I200 W203 F204Q167-L171 WeakPolarHBondContact O-CB 3.39Å; Q167-L171 WeakPolarHBondContact O-CD1 3.35Å; Q167-L171 WeakPolarHBondContact O-CG 3.48Å; Q167-L171 PolarHBondContact O-N 2.88Å; V168-L171 PolarHBondContact O-N 2.67Å; L171-F175 WeakPolarHBondContact O-CB 3.45Å; L171-F175 PolarHBondContact O-N 3.33Å; L171-I189 HydrophobicContact CD2-CG2 4.18Å; L171-L193 HydrophobicContact CD1-CD1 4.44Å; L171-L193 HydrophobicContact CD2-CD1 3.89Å; L171-L193 HydrophobicContact CG-CD1 3.71Å; L171-L195 HydrophobicContact CD1-CD1 4.32Å; L171-I200 HydrophobicContact CD2-CD1 3.77Å; L171-W203 HydrophobicContact CB-CD2 3.94Å; L171-W203 HydrophobicContact CB-CE3 3.93Å; L171-W203 HydrophobicContact CB-CH2 3.63Å; L171-W203 HydrophobicContact CB-CZ2 3.61Å; L171-W203 HydrophobicContact CB-CZ3 3.78Å; L171-W203 HydrophobicContact CD1-CD2 3.86Å; L171-W203 HydrophobicContact CD1-CG 3.83Å; L171-W203 HydrophobicContact CD1-CZ2 4.48Å; L171-W203 HydrophobicContact CD2-CD2 4.4Å; L171-W203 HydrophobicContact CD2-CE3 4.33Å; L171-W203 HydrophobicContact CG-CD2 4.3Å; L171-W203 WeakPolarHBondContact O-CZ3 3.48Å; L171-F204 HydrophobicContact CD2-CE2 4.06Å
172E98.6Very high98.2Very high69 Ų6982.1 Ų82.132%0.32239%0.388SS..Hα-helixtrans-66.3-45.3175-75.6-171.4171.900111.6V168 L169 E170 E174 F175 H176 W203V168-E172 HydrophobicContact CG1-CG 4.36Å; V168-E172 WeakPolarHBondContact O-CB 3.34Å; V168-E172 WeakPolarHBondContact O-CG 3.48Å; V168-E172 PolarHBondContact O-N 3.41Å; L169-E172 PolarHBondContact O-N 3.11Å; E170-E172 VanDerWaalsContact C-N 3.35Å; E170-E172 PolarHBondContact O-N 2.91Å; E172-E174 VanDerWaalsContact C-N 3.34Å; E172-E174 PolarHBondContact O-N 3.24Å; E172-F175 WeakPolarHBondContact O-CB 3.35Å; E172-F175 PolarHBondContact O-N 3.07Å; E172-F175 VanDerWaalsContact O-N 3.14Å; E172-H176 PolarHBondContact O-N 3.45Å; E172-H176 PolarHBondContact O-ND1 3.39Å; E172-W203 HydrophobicContact CG-CH2 3.91Å; E172-W203 HydrophobicContact CG-CZ2 4.02Å
173K98.6Very high98.3Very high121 Ų12184.8 Ų84.853%0.52638%0.38SS..Hα-helixtrans-54.9-49.4174.7172.8-179.3154.8-152.90111.2L169 E170 F175 H176 Y177L169-K173 WeakPolarHBondContact O-CB 3.5Å; L169-K173 PolarHBondContact O-N 3.46Å; E170-K173 PolarHBondContact O-N 2.82Å; E170-K173 IonicContact OE1-NZ 3.07Å; E170-K173 IonicContact OE2-NZ 3.54Å; E170-K173 PolarHBondContact OE2-NZ 3.09Å; K173-F175 VanDerWaalsContact C-N 3.33Å; K173-F175 PolarHBondContact O-N 3.07Å; K173-H176 PolarHBondContact O-N 3.22Å; K173-Y177 PolarHBondContact O-N 3.15Å; K173-Y177 VanDerWaalsContact O-N 3.09Å
174E98.4Very high98.3Very high13 Ų1390.2 Ų90.26%0.06140%0.4CS..Hα-helixtrans-62.9-37.9176.6-73.2-63.6132.200112.6E170 E172 H176 Y177 N178 R185 I189 F204E170-E174 WeakPolarHBondContact O-CB 3.19Å; E170-E174 WeakPolarHBondContact O-CG 3.5Å; E170-E174 PolarHBondContact O-N 3.32Å; E172-E174 VanDerWaalsContact C-N 3.34Å; E172-E174 PolarHBondContact O-N 3.24Å; E174-H176 VanDerWaalsContact C-N 3.33Å; E174-H176 PolarHBondContact O-N 3.01Å; E174-Y177 PolarHBondContact O-N 2.8Å; E174-N178 PolarHBondContact O-N 3.38Å; E174-R185 IonicContact OE1-CZ 3.4Å; E174-R185 IonicContact OE1-NE 2.83Å; E174-R185 IonicContact OE1-NH2 3.15Å; E174-R185 PolarHBondContact OE1-NH2 3.29Å; E174-R185 IonicContact OE2-CZ 2.91Å; E174-R185 IonicContact OE2-NE 2.67Å; E174-R185 PolarHBondContact OE2-NE 2.96Å; E174-R185 IonicContact OE2-NH2 3.81Å; E174-R185 PolarHBondContact OE2-NH2 2.9Å; E174-R185 VanDerWaalsContact OE2-NH2 3.15Å; E174-I189 HydrophobicContact CB-CD1 4.04Å; E174-I189 HydrophobicContact CG-CD1 3.65Å; E174-I189 HydrophobicContact CG-CG1 4.06Å; E174-F204 HydrophobicContact CB-CZ 4.06Å
175F98.6Very high98.3Very high2 Ų290.7 Ų90.71%0.00939%0.393CS..Hα-helixtrans-65.3-35.7177.7-177.5-98.4000113.2L171 E172 K173 N178 R179 W203 F204 R207 R208 W211L171-F175 WeakPolarHBondContact O-CB 3.45Å; L171-F175 PolarHBondContact O-N 3.33Å; E172-F175 WeakPolarHBondContact O-CB 3.35Å; E172-F175 PolarHBondContact O-N 3.07Å; E172-F175 VanDerWaalsContact O-N 3.14Å; K173-F175 VanDerWaalsContact C-N 3.33Å; K173-F175 PolarHBondContact O-N 3.07Å; F175-N178 CarbonylContact O-C 3.46Å; F175-N178 VanDerWaalsContact O-C 3.3Å; F175-R179 HydrophobicContact CE1-CG 4.19Å; F175-R179 HydrophobicContact CE2-CB 4.05Å; F175-R179 HydrophobicContact CE2-CG 4.1Å; F175-R179 HydrophobicContact CZ-CB 4.27Å; F175-R179 HydrophobicContact CZ-CG 3.86Å; F175-R179 PolarHBondContact O-N 3.22Å; F175-W203 HydrophobicContact CB-CH2 4.43Å; F175-W203 HydrophobicContact CB-CZ3 4.11Å; F175-F204 HydrophobicContact CB-CE1 4.18Å; F175-F204 HydrophobicContact CB-CZ 4.27Å; F175-F204 AromaticContact CD2-CD1 3.96Å; F175-F204 HydrophobicContact CD2-CD1 3.96Å; F175-F204 AromaticContact CD2-CE1 3.89Å; F175-F204 HydrophobicContact CD2-CE1 3.89Å; F175-R207 HydrophobicContact CB-CG 4.41Å; F175-R207 HydrophobicContact CD1-CG 3.73Å; F175-R207 HydrophobicContact CD2-CB 4.19Å; F175-R207 HydrophobicContact CD2-CG 3.58Å; F175-R207 HydrophobicContact CE1-CG 3.8Å; F175-R207 HydrophobicContact CE2-CB 4.18Å; F175-R207 HydrophobicContact CE2-CG 3.66Å; F175-R207 HydrophobicContact CG-CG 3.61Å; F175-R207 HydrophobicContact CZ-CG 3.77Å; F175-R208 HydrophobicContact CE2-CG 3.75Å; F175-R208 HydrophobicContact CZ-CG 4.32Å; F175-W211 HydrophobicContact CE1-CB 4.28Å; F175-W211 HydrophobicContact CE1-CG 4.23Å; F175-W211 HydrophobicContact CZ-CB 3.99Å; F175-W211 HydrophobicContact CZ-CG 4.12Å
176H98Very high98.3Very high121 Ų12183.7 Ų83.756%0.5637%0.367SS*.Hα-helixtrans-68.9-40173.9-70.193000111.2E172 K173 E174E172-H176 PolarHBondContact O-N 3.45Å; E172-H176 PolarHBondContact O-ND1 3.39Å; K173-H176 PolarHBondContact O-N 3.22Å; E174-H176 VanDerWaalsContact C-N 3.33Å; E174-H176 PolarHBondContact O-N 3.01Å
177Y98.3Very high98.3Very high191 Ų19179.8 Ų79.875%0.74935%0.35SS*.Hα-helixtrans-62.6-50.1175.1-179.8-105.5000111.8K173 E174K173-Y177 PolarHBondContact O-N 3.15Å; K173-Y177 VanDerWaalsContact O-N 3.09Å; E174-Y177 PolarHBondContact O-N 2.8Å
178N97.1Very high98.3Very high70 Ų7081.5 Ų81.537%0.37436%0.358SS..  trans-146.5121.7174.2-168.8-13.3000111.3E174 F175 Y180E174-N178 PolarHBondContact O-N 3.38Å; F175-N178 CarbonylContact O-C 3.46Å; F175-N178 VanDerWaalsContact O-C 3.3Å; N178-Y180 PolarHBondContact ND2-O 2.89Å; N178-Y180 PolarHBondContact O-N 2.79Å; N178-Y180 VanDerWaalsContact O-N 3.11Å; N178-Y180 PolarHBondContact OD1-N 2.75Å; N178-Y180 PolarHBondContact OD1-O 2.82Å
179R97.8Very high98.3Very high92 Ų9279.7 Ų79.735%0.34735%0.347SS..SBendtrans-65.3-15.4179.5-70.6178.4162.770.52.7113.4F175 R208 W211F175-R179 HydrophobicContact CE1-CG 4.19Å; F175-R179 HydrophobicContact CE2-CB 4.05Å; F175-R179 HydrophobicContact CE2-CG 4.1Å; F175-R179 HydrophobicContact CZ-CB 4.27Å; F175-R179 HydrophobicContact CZ-CG 3.86Å; F175-R179 PolarHBondContact O-N 3.22Å; R179-R208 WeakPolarHBondContact O-CD 3.16Å; R179-W211 VanDerWaalsContact NE-CE2 3.26Å
180Y98.3Very high98.3Very high143 Ų14376.2 Ų76.256%0.56133%0.329SS*.SBendtrans-133130.9-179-62.9-103.1000110.1N178N178-Y180 PolarHBondContact ND2-O 2.89Å; N178-Y180 PolarHBondContact O-N 2.79Å; N178-Y180 VanDerWaalsContact O-N 3.11Å; N178-Y180 PolarHBondContact OD1-N 2.75Å; N178-Y180 PolarHBondContact OD1-O 2.82Å
181L98.3Very high98.3Very high27 Ų2780 Ų8014%0.14135%0.347CS..  trans-93.8138.1179.2-62.1179.5000112.2R185 I189 I200 F204L181-R185 HydrophobicContact CD2-CG 3.96Å; L181-I189 HydrophobicContact CD1-CD1 3.83Å; L181-I189 HydrophobicContact CD2-CD1 3.79Å; L181-I189 HydrophobicContact CG-CD1 4.48Å; L181-I200 HydrophobicContact CD1-CG2 3.48Å; L181-I200 VanDerWaalsContact CD1-CG2 3.48Å; L181-F204 HydrophobicContact CD1-CD1 4.17Å; L181-F204 HydrophobicContact CD1-CD2 3.65Å; L181-F204 HydrophobicContact CD1-CE1 3.96Å; L181-F204 HydrophobicContact CD1-CE2 3.45Å; L181-F204 VanDerWaalsContact CD1-CE2 3.45Å; L181-F204 HydrophobicContact CD1-CG 4.03Å; L181-F204 HydrophobicContact CD1-CZ 3.61Å; L181-F204 HydrophobicContact CD2-CE1 3.75Å; L181-F204 HydrophobicContact CD2-CE2 4.39Å; L181-F204 HydrophobicContact CD2-CZ 3.69Å; L181-F204 HydrophobicContact CG-CD1 3.81Å; L181-F204 HydrophobicContact CG-CD2 4.23Å; L181-F204 HydrophobicContact CG-CE1 3.52Å; L181-F204 HydrophobicContact CG-CE2 3.99Å; L181-F204 HydrophobicContact CG-CG 4.16Å; L181-F204 HydrophobicContact CG-CZ 3.63Å
182T98.6Very high98.3Very high86 Ų8685.1 Ų85.153%0.52838%0.378SS..  trans-71.4166.7163.465.50000110.9R185 R186T182-R185 WeakPolarHBondContact OG1-CB 3.49Å; T182-R185 PolarHBondContact OG1-N 3.18Å; T182-R186 WeakPolarHBondContact O-CB 3.23Å; T182-R186 PolarHBondContact O-N 3.38Å; T182-R186 VanDerWaalsContact O-N 3.14Å
183R98.3Very high98.3Very high141 Ų14182.3 Ų82.353%0.53237%0.365SS..Hα-helixtrans-59.3-49177.918068-178.891.4-9.8111.7R186 I187 E197R183-R186 WeakPolarHBondContact O-CB 3.13Å; R183-R186 PolarHBondContact O-N 2.85Å; R183-I187 WeakPolarHBondContact O-CG1 3.27Å; R183-I187 PolarHBondContact O-N 2.86Å; R183-E197 IonicContact CZ-OE1 2.89Å; R183-E197 VanDerWaalsContact CZ-OE1 3.26Å; R183-E197 IonicContact CZ-OE2 2.68Å; R183-E197 IonicContact NE-OE2 3.63Å; R183-E197 IonicContact NH1-OE1 3.2Å; R183-E197 PolarHBondContact NH1-OE1 3.47Å; R183-E197 IonicContact NH1-OE2 3.45Å; R183-E197 PolarHBondContact NH1-OE2 3.01Å; R183-E197 IonicContact NH2-OE1 3.04Å; R183-E197 PolarHBondContact NH2-OE1 2.91Å; R183-E197 IonicContact NH2-OE2 3.87Å; R183-E197 PolarHBondContact NH2-OE2 3.21Å
184R98.3Very high98.3Very high185 Ų18582.6 Ų82.670%0.69838%0.377SS*.Hα-helixtrans-60.7-51.1-179.9177.6176.8170.9163.72.3111.4R186 I187 E188R184-R186 PolarHBondContact O-N 2.91Å; R184-I187 WeakPolarHBondContact O-CB 3.34Å; R184-I187 PolarHBondContact O-N 2.9Å; R184-E188 WeakPolarHBondContact CG-OE1 3.41Å; R184-E188 IonicContact NE-OE1 2.8Å; R184-E188 PolarHBondContact NE-OE1 3.31Å; R184-E188 VanDerWaalsContact NE-OE1 3.07Å; R184-E188 PolarHBondContact O-N 3.43Å
185R98.4Very high98.2Very high85 Ų8582.9 Ų82.932%0.32138%0.378SS..Hα-helixtrans-60.5-35-178.5-172.655.8176.3176.7-1.1112.5E174 L181 T182 I187 E188 I189E174-R185 IonicContact OE1-CZ 3.4Å; E174-R185 IonicContact OE1-NE 2.83Å; E174-R185 IonicContact OE1-NH2 3.15Å; E174-R185 PolarHBondContact OE1-NH2 3.29Å; E174-R185 IonicContact OE2-CZ 2.91Å; E174-R185 IonicContact OE2-NE 2.67Å; E174-R185 PolarHBondContact OE2-NE 2.96Å; E174-R185 IonicContact OE2-NH2 3.81Å; E174-R185 PolarHBondContact OE2-NH2 2.9Å; E174-R185 VanDerWaalsContact OE2-NH2 3.15Å; L181-R185 HydrophobicContact CD2-CG 3.96Å; T182-R185 WeakPolarHBondContact OG1-CB 3.49Å; T182-R185 PolarHBondContact OG1-N 3.18Å; R185-I187 VanDerWaalsContact C-N 3.33Å; R185-I187 PolarHBondContact O-N 3.44Å; R185-E188 VanDerWaalsContact CD-OE2 3.27Å; R185-E188 WeakPolarHBondContact CD-OE2 3.49Å; R185-E188 IonicContact CZ-OE2 3.66Å; R185-E188 IonicContact NE-OE2 3.88Å; R185-E188 IonicContact NH1-OE2 3.26Å; R185-E188 PolarHBondContact NH1-OE2 2.84Å; R185-E188 PolarHBondContact O-N 2.86Å; R185-I189 HydrophobicContact CG-CD1 3.89Å; R185-I189 HydrophobicContact CG-CG1 4.46Å; R185-I189 WeakPolarHBondContact O-CG1 3.38Å; R185-I189 PolarHBondContact O-N 3.36Å; R185-I189 VanDerWaalsContact O-N 3.09Å
186R98.5Very high98.2Very high56 Ų5685.5 Ų85.521%0.21140%0.397CS..Hα-helixtrans-61.2-39.5175.1-171.2-175.3-52.1-172.14.3113T182 R183 R184 A190 E197 I200T182-R186 WeakPolarHBondContact O-CB 3.23Å; T182-R186 PolarHBondContact O-N 3.38Å; T182-R186 VanDerWaalsContact O-N 3.14Å; R183-R186 WeakPolarHBondContact O-CB 3.13Å; R183-R186 PolarHBondContact O-N 2.85Å; R184-R186 PolarHBondContact O-N 2.91Å; R186-A190 WeakPolarHBondContact O-CB 3.43Å; R186-A190 PolarHBondContact O-N 3.42Å; R186-E197 HydrophobicContact CG-CB 4.28Å; R186-E197 HydrophobicContact CG-CG 4.49Å; R186-I200 HydrophobicContact CG-CB 4.12Å; R186-I200 HydrophobicContact CG-CG2 3.96Å
187I98.6Very high98.2Very high56 Ų5682.6 Ų82.629%0.28738%0.384SS..Hα-helixtrans-64.2-48.2176.9-57.7169.3000109.5R183 R184 R185 I189 A190 H191R183-I187 WeakPolarHBondContact O-CG1 3.27Å; R183-I187 PolarHBondContact O-N 2.86Å; R184-I187 WeakPolarHBondContact O-CB 3.34Å; R184-I187 PolarHBondContact O-N 2.9Å; R185-I187 VanDerWaalsContact C-N 3.33Å; R185-I187 PolarHBondContact O-N 3.44Å; I187-I189 VanDerWaalsContact C-N 3.35Å; I187-I189 PolarHBondContact O-N 2.94Å; I187-A190 WeakPolarHBondContact O-CB 3.2Å; I187-A190 PolarHBondContact O-N 3.14Å; I187-H191 VanDerWaalsContact CG2-CE1 3.5Å; I187-H191 WeakPolarHBondContact CG2-CE1 3.37Å; I187-H191 PolarHBondContact O-N 3.16Å
188E98.4Very high98.2Very high66 Ų6681.8 Ų81.831%0.30838%0.379SS..Hα-helixtrans-57.6-46.8-178-65.2169.8-175.100111.6R184 R185 T192R184-E188 WeakPolarHBondContact CG-OE1 3.41Å; R184-E188 IonicContact NE-OE1 2.8Å; R184-E188 PolarHBondContact NE-OE1 3.31Å; R184-E188 VanDerWaalsContact NE-OE1 3.07Å; R184-E188 PolarHBondContact O-N 3.43Å; R185-E188 VanDerWaalsContact CD-OE2 3.27Å; R185-E188 WeakPolarHBondContact CD-OE2 3.49Å; R185-E188 IonicContact CZ-OE2 3.66Å; R185-E188 IonicContact NE-OE2 3.88Å; R185-E188 IonicContact NH1-OE2 3.26Å; R185-E188 PolarHBondContact NH1-OE2 2.84Å; R185-E188 PolarHBondContact O-N 2.86Å; E188-T192 WeakPolarHBondContact O-CB 3.19Å; E188-T192 PolarHBondContact O-N 3.32Å; E188-T192 VanDerWaalsContact O-N 3.12Å; E188-T192 PolarHBondContact O-OG1 2.96Å
189I98.4Very high98.3Very high9 Ų981.2 Ų81.25%0.04637%0.374CS..Hα-helixtrans-67.8-41.3178.3-61.7164.6000111.1L171 E174 L181 R185 I187 H191 T192 L193 I200L171-I189 HydrophobicContact CD2-CG2 4.18Å; E174-I189 HydrophobicContact CB-CD1 4.04Å; E174-I189 HydrophobicContact CG-CD1 3.65Å; E174-I189 HydrophobicContact CG-CG1 4.06Å; L181-I189 HydrophobicContact CD1-CD1 3.83Å; L181-I189 HydrophobicContact CD2-CD1 3.79Å; L181-I189 HydrophobicContact CG-CD1 4.48Å; R185-I189 HydrophobicContact CG-CD1 3.89Å; R185-I189 HydrophobicContact CG-CG1 4.46Å; R185-I189 WeakPolarHBondContact O-CG1 3.38Å; R185-I189 PolarHBondContact O-N 3.36Å; R185-I189 VanDerWaalsContact O-N 3.09Å; I187-I189 VanDerWaalsContact C-N 3.35Å; I187-I189 PolarHBondContact O-N 2.94Å; I189-H191 VanDerWaalsContact C-N 3.33Å; I189-H191 PolarHBondContact O-N 3.4Å; I189-T192 PolarHBondContact O-N 2.95Å; I189-L193 HydrophobicContact CG2-CD1 3.65Å; I189-L193 HydrophobicContact CG2-CG 4.12Å; I189-L193 WeakPolarHBondContact O-CB 3.4Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 3.37Å; I189-I200 HydrophobicContact CG2-CD1 3.91Å
190A98.5Very high98.3Very high4 Ų476.8 Ų76.83%0.03336%0.358CS..Hα-helixtrans-56.9-46.6179.100000111.6R186 I187 V194 L195 E197 I200R186-A190 WeakPolarHBondContact O-CB 3.43Å; R186-A190 PolarHBondContact O-N 3.42Å; I187-A190 WeakPolarHBondContact O-CB 3.2Å; I187-A190 PolarHBondContact O-N 3.14Å; A190-V194 WeakPolarHBondContact O-CA 3.35Å; A190-V194 PolarHBondContact O-N 3.25Å; A190-L195 CarbonylContact C-O 3.3Å; A190-L195 WeakPolarHBondContact CA-O 3.41Å; A190-L195 WeakPolarHBondContact CB-O 3.25Å; A190-L195 PolarHBondContact O-N 3.41Å; A190-L195 VanDerWaalsContact O-O 3.1Å; A190-E197 HydrophobicContact CB-CG 4.22Å; A190-I200 HydrophobicContact CB-CG1 4.11Å
191H98.4Very high98.3Very high144 Ų14475 Ų7567%0.66735%0.353SS*.Hα-helixtrans-66.2-45.2177.5-65.5178.4000111.9I187 I189 L193 V194I187-H191 VanDerWaalsContact CG2-CE1 3.5Å; I187-H191 WeakPolarHBondContact CG2-CE1 3.37Å; I187-H191 PolarHBondContact O-N 3.16Å; I189-H191 VanDerWaalsContact C-N 3.33Å; I189-H191 PolarHBondContact O-N 3.4Å; H191-L193 VanDerWaalsContact C-N 3.31Å; H191-L193 PolarHBondContact O-N 3.05Å; H191-V194 PolarHBondContact O-N 3.23Å
192T98.1Very high98.3Very high107 Ų10776.5 Ų76.566%0.65636%0.36SS*.Hα-helixtrans-62.5-37.3-178.2-53.80000112.4E188 I189E188-T192 WeakPolarHBondContact O-CB 3.19Å; E188-T192 PolarHBondContact O-N 3.32Å; E188-T192 VanDerWaalsContact O-N 3.12Å; E188-T192 PolarHBondContact O-OG1 2.96Å; I189-T192 PolarHBondContact O-N 2.95Å
193L98Very high98.3Very high9 Ų973.8 Ų73.85%0.04734%0.341CS..Hα-helixtrans-97.3-0.9-176.1-59.6-173.7000114Q167 E170 L171 I189 H191 L195Q167-L193 HydrophobicContact CG-CB 4.32Å; Q167-L193 PolarHBondContact NE2-O 3.49Å; E170-L193 HydrophobicContact CB-CD1 4.06Å; E170-L193 HydrophobicContact CB-CD2 3.67Å; E170-L193 HydrophobicContact CB-CG 4.44Å; E170-L193 HydrophobicContact CG-CD2 3.92Å; L171-L193 HydrophobicContact CD1-CD1 4.44Å; L171-L193 HydrophobicContact CD2-CD1 3.89Å; L171-L193 HydrophobicContact CG-CD1 3.71Å; I189-L193 HydrophobicContact CG2-CD1 3.65Å; I189-L193 HydrophobicContact CG2-CG 4.12Å; I189-L193 WeakPolarHBondContact O-CB 3.4Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 3.37Å; H191-L193 VanDerWaalsContact C-N 3.31Å; H191-L193 PolarHBondContact O-N 3.05Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 HydrophobicContact CB-CD1 4.2Å; L193-L195 HydrophobicContact CB-CG 4.2Å; L193-L195 PolarHBondContact O-N 3.39Å
194V98.3Very high98.4Very high127 Ų12767.5 Ų67.577%0.7732%0.317SS*.THydrogen-bonded Turntrans53.347.9-174.9-161.90000111A190 H191A190-V194 WeakPolarHBondContact O-CA 3.35Å; A190-V194 PolarHBondContact O-N 3.25Å; H191-V194 PolarHBondContact O-N 3.23Å
195L97.8Very high98.4Very high19 Ų1963 Ų6310%0.09930%0.304CS..  trans-123.5149.1176.8-66.8179000109.5Y163 L171 A190 L193 Q199 I200Y163-L195 HydrophobicContact CD1-CD1 4.11Å; Y163-L195 HydrophobicContact CD1-CD2 3.9Å; Y163-L195 HydrophobicContact CE1-CD1 4.04Å; Y163-L195 HydrophobicContact CE1-CD2 3.71Å; L171-L195 HydrophobicContact CD1-CD1 4.32Å; A190-L195 CarbonylContact C-O 3.3Å; A190-L195 WeakPolarHBondContact CA-O 3.41Å; A190-L195 WeakPolarHBondContact CB-O 3.25Å; A190-L195 PolarHBondContact O-N 3.41Å; A190-L195 VanDerWaalsContact O-O 3.1Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 HydrophobicContact CB-CD1 4.2Å; L193-L195 HydrophobicContact CB-CG 4.2Å; L193-L195 PolarHBondContact O-N 3.39Å; L195-Q199 HydrophobicContact CB-CB 4.39Å; L195-I200 HydrophobicContact CB-CD1 3.91Å; L195-I200 HydrophobicContact CB-CG1 4.46Å; L195-I200 HydrophobicContact CD1-CD1 3.93Å
196S98.4Very high98.4Very high57 Ų5763.8 Ų63.840%0.39932%0.315SS..  trans-67.414917264.80000111.3R198 Q199 I200S196-R198 PolarHBondContact O-N 3.06Å; S196-Q199 WeakPolarHBondContact O-CA 3.28Å; S196-Q199 WeakPolarHBondContact O-CB 3.42Å; S196-Q199 PolarHBondContact O-N 3.02Å; S196-Q199 VanDerWaalsContact OG-CG 3.28Å; S196-Q199 WeakPolarHBondContact OG-CG 3.46Å; S196-Q199 PolarHBondContact OG-N 2.94Å; S196-Q199 PolarHBondContact OG-OE1 3.11Å; S196-I200 PolarHBondContact O-N 3.03Å; S196-I200 VanDerWaalsContact O-N 3.11Å
197E98.4Very high98.3Very high60 Ų6063.1 Ų63.128%0.2831%0.312SS..Hα-helixtrans-53.6-32.9173.5-64.9-168.6-147.100113.3R183 R186 A190 I200 K201R183-E197 IonicContact CZ-OE1 2.89Å; R183-E197 VanDerWaalsContact CZ-OE1 3.26Å; R183-E197 IonicContact CZ-OE2 2.68Å; R183-E197 IonicContact NE-OE2 3.63Å; R183-E197 IonicContact NH1-OE1 3.2Å; R183-E197 PolarHBondContact NH1-OE1 3.47Å; R183-E197 IonicContact NH1-OE2 3.45Å; R183-E197 PolarHBondContact NH1-OE2 3.01Å; R183-E197 IonicContact NH2-OE1 3.04Å; R183-E197 PolarHBondContact NH2-OE1 2.91Å; R183-E197 IonicContact NH2-OE2 3.87Å; R183-E197 PolarHBondContact NH2-OE2 3.21Å; R186-E197 HydrophobicContact CG-CB 4.28Å; R186-E197 HydrophobicContact CG-CG 4.49Å; A190-E197 HydrophobicContact CB-CG 4.22Å; E197-I200 PolarHBondContact O-N 3.22Å; E197-K201 WeakPolarHBondContact O-CB 3.42Å; E197-K201 PolarHBondContact O-N 2.92Å
198R98Very high98.3Very high174 Ų17463.5 Ų63.566%0.65731%0.31SS*.Hα-helixtrans-64.1-42.9176-176.5179.1-177.1-82.8-2.2111.2S196 K201 I202S196-R198 PolarHBondContact O-N 3.06Å; R198-K201 WeakPolarHBondContact O-CB 3.36Å; R198-K201 PolarHBondContact O-N 3.39Å; R198-I202 HydrophobicContact CG-CD1 3.92Å; R198-I202 VanDerWaalsContact NH1-CD1 3.26Å; R198-I202 VanDerWaalsContact O-CG1 3.3Å; R198-I202 WeakPolarHBondContact O-CG1 3.4Å; R198-I202 PolarHBondContact O-N 3.34Å
199Q98.3Very high98.3Very high58 Ų5865.3 Ų65.327%0.27132%0.319SS..Hα-helixtrans-62.9-45175.6-76163.2-53.500110.8L195 S196 K201 I202 W203L195-Q199 HydrophobicContact CB-CB 4.39Å; S196-Q199 WeakPolarHBondContact O-CA 3.28Å; S196-Q199 WeakPolarHBondContact O-CB 3.42Å; S196-Q199 PolarHBondContact O-N 3.02Å; S196-Q199 VanDerWaalsContact OG-CG 3.28Å; S196-Q199 WeakPolarHBondContact OG-CG 3.46Å; S196-Q199 PolarHBondContact OG-N 2.94Å; S196-Q199 PolarHBondContact OG-OE1 3.11Å; Q199-K201 VanDerWaalsContact C-N 3.32Å; Q199-K201 PolarHBondContact O-N 3.14Å; Q199-I202 PolarHBondContact O-N 3.2Å; Q199-W203 WeakPolarHBondContact O-CB 3.39Å; Q199-W203 PolarHBondContact O-N 2.68Å
200I98.5Very high98.2Very high0 Ų070.7 Ų70.70%034%0.342CS..Hα-helixtrans-57.7-46.6174.5-54-58.9000110.6L171 L181 R186 I189 A190 L195 S196 E197 I202 W203 F204L171-I200 HydrophobicContact CD2-CD1 3.77Å; L181-I200 HydrophobicContact CD1-CG2 3.48Å; L181-I200 VanDerWaalsContact CD1-CG2 3.48Å; R186-I200 HydrophobicContact CG-CB 4.12Å; R186-I200 HydrophobicContact CG-CG2 3.96Å; I189-I200 HydrophobicContact CG2-CD1 3.91Å; A190-I200 HydrophobicContact CB-CG1 4.11Å; L195-I200 HydrophobicContact CB-CD1 3.91Å; L195-I200 HydrophobicContact CB-CG1 4.46Å; L195-I200 HydrophobicContact CD1-CD1 3.93Å; S196-I200 PolarHBondContact O-N 3.03Å; S196-I200 VanDerWaalsContact O-N 3.11Å; E197-I200 PolarHBondContact O-N 3.22Å; I200-I202 PolarHBondContact O-N 2.98Å; I200-W203 PolarHBondContact O-N 3.27Å; I200-F204 HydrophobicContact CG2-CD2 4.07Å; I200-F204 HydrophobicContact CG2-CE2 4.26Å; I200-F204 WeakPolarHBondContact O-CD2 3.3Å; I200-F204 PolarHBondContact O-N 3Å
201K98.3Very high98.1Very high105 Ų10574.5 Ų74.546%0.45736%0.356SS..Hα-helixtrans-58.1-48.8177.6-171.4179.680.2174.40112.1E197 R198 Q199 F204 Q205E197-K201 WeakPolarHBondContact O-CB 3.42Å; E197-K201 PolarHBondContact O-N 2.92Å; R198-K201 WeakPolarHBondContact O-CB 3.36Å; R198-K201 PolarHBondContact O-N 3.39Å; Q199-K201 VanDerWaalsContact C-N 3.32Å; Q199-K201 PolarHBondContact O-N 3.14Å; K201-F204 PolarHBondContact O-N 3.01Å; K201-Q205 WeakPolarHBondContact O-CB 3.44Å; K201-Q205 PolarHBondContact O-N 2.88Å
202I98.4Very high97.9Very high58 Ų5871.8 Ų71.830%0.29734%0.342SS..Hα-helixtrans-65.4-42.4-179.5-70.5169000110.5R198 Q199 I200 F204 Q205 N206R198-I202 HydrophobicContact CG-CD1 3.92Å; R198-I202 VanDerWaalsContact NH1-CD1 3.26Å; R198-I202 VanDerWaalsContact O-CG1 3.3Å; R198-I202 WeakPolarHBondContact O-CG1 3.4Å; R198-I202 PolarHBondContact O-N 3.34Å; Q199-I202 PolarHBondContact O-N 3.2Å; I200-I202 PolarHBondContact O-N 2.98Å; I202-F204 PolarHBondContact O-N 3.4Å; I202-Q205 WeakPolarHBondContact O-CB 3.49Å; I202-Q205 PolarHBondContact O-N 3.11Å; I202-N206 VanDerWaalsContact O-CG 3.28Å; I202-N206 PolarHBondContact O-N 3.28Å; I202-N206 PolarHBondContact O-ND2 3.11Å
203W98.5Very high97.7Very high30 Ų3074.3 Ų74.311%0.11434%0.344CS..Hα-helixtrans-60.6-47.6178.3-168.4101.2000111.2Y163 L171 E172 F175 Q199 I200 Q205 N206 R207Y163-W203 AromaticContact CD2-CD1 3.85Å; Y163-W203 AromaticContact CE2-CD1 3.62Å; L171-W203 HydrophobicContact CB-CD2 3.94Å; L171-W203 HydrophobicContact CB-CE3 3.93Å; L171-W203 HydrophobicContact CB-CH2 3.63Å; L171-W203 HydrophobicContact CB-CZ2 3.61Å; L171-W203 HydrophobicContact CB-CZ3 3.78Å; L171-W203 HydrophobicContact CD1-CD2 3.86Å; L171-W203 HydrophobicContact CD1-CG 3.83Å; L171-W203 HydrophobicContact CD1-CZ2 4.48Å; L171-W203 HydrophobicContact CD2-CD2 4.4Å; L171-W203 HydrophobicContact CD2-CE3 4.33Å; L171-W203 HydrophobicContact CG-CD2 4.3Å; L171-W203 WeakPolarHBondContact O-CZ3 3.48Å; E172-W203 HydrophobicContact CG-CH2 3.91Å; E172-W203 HydrophobicContact CG-CZ2 4.02Å; F175-W203 HydrophobicContact CB-CH2 4.43Å; F175-W203 HydrophobicContact CB-CZ3 4.11Å; Q199-W203 WeakPolarHBondContact O-CB 3.39Å; Q199-W203 PolarHBondContact O-N 2.68Å; I200-W203 PolarHBondContact O-N 3.27Å; W203-Q205 VanDerWaalsContact C-N 3.32Å; W203-Q205 PolarHBondContact O-N 3.34Å; W203-N206 PolarHBondContact O-N 3.14Å; W203-R207 HydrophobicContact CE3-CB 3.92Å; W203-R207 HydrophobicContact CE3-CG 4.46Å; W203-R207 HydrophobicContact CH2-CB 4.08Å; W203-R207 HydrophobicContact CH2-CG 3.79Å; W203-R207 HydrophobicContact CZ3-CB 3.66Å; W203-R207 HydrophobicContact CZ3-CG 3.7Å; W203-R207 WeakPolarHBondContact O-CB 3.46Å; W203-R207 PolarHBondContact O-N 3.2Å
204F98.7Very high97.4Very high8 Ų877.9 Ų77.94%0.03536%0.364CS..Hα-helixtrans-65.3-32.6176.5-90.7-104000113L171 E174 F175 L181 I200 K201 I202 R208L171-F204 HydrophobicContact CD2-CE2 4.06Å; E174-F204 HydrophobicContact CB-CZ 4.06Å; F175-F204 HydrophobicContact CB-CE1 4.18Å; F175-F204 HydrophobicContact CB-CZ 4.27Å; F175-F204 AromaticContact CD2-CD1 3.96Å; F175-F204 HydrophobicContact CD2-CD1 3.96Å; F175-F204 AromaticContact CD2-CE1 3.89Å; F175-F204 HydrophobicContact CD2-CE1 3.89Å; L181-F204 HydrophobicContact CD1-CD1 4.17Å; L181-F204 HydrophobicContact CD1-CD2 3.65Å; L181-F204 HydrophobicContact CD1-CE1 3.96Å; L181-F204 HydrophobicContact CD1-CE2 3.45Å; L181-F204 VanDerWaalsContact CD1-CE2 3.45Å; L181-F204 HydrophobicContact CD1-CG 4.03Å; L181-F204 HydrophobicContact CD1-CZ 3.61Å; L181-F204 HydrophobicContact CD2-CE1 3.75Å; L181-F204 HydrophobicContact CD2-CE2 4.39Å; L181-F204 HydrophobicContact CD2-CZ 3.69Å; L181-F204 HydrophobicContact CG-CD1 3.81Å; L181-F204 HydrophobicContact CG-CD2 4.23Å; L181-F204 HydrophobicContact CG-CE1 3.52Å; L181-F204 HydrophobicContact CG-CE2 3.99Å; L181-F204 HydrophobicContact CG-CG 4.16Å; L181-F204 HydrophobicContact CG-CZ 3.63Å; I200-F204 HydrophobicContact CG2-CD2 4.07Å; I200-F204 HydrophobicContact CG2-CE2 4.26Å; I200-F204 WeakPolarHBondContact O-CD2 3.3Å; I200-F204 PolarHBondContact O-N 3Å; K201-F204 PolarHBondContact O-N 3.01Å; I202-F204 PolarHBondContact O-N 3.4Å; F204-R208 WeakPolarHBondContact O-CB 3.5Å; F204-R208 VanDerWaalsContact O-CG 3.28Å; F204-R208 WeakPolarHBondContact O-CG 3.07Å; F204-R208 PolarHBondContact O-N 3.37Å; F204-R208 PolarHBondContact O-NE 3.24Å
205Q98.6Very high96.9Very high91 Ų9177.7 Ų77.743%0.42535%0.354SS..Hα-helixtrans-62.6-51.5171.7-166.394.641.200110.7K201 I202 W203 R207 R208 M209K201-Q205 WeakPolarHBondContact O-CB 3.44Å; K201-Q205 PolarHBondContact O-N 2.88Å; I202-Q205 WeakPolarHBondContact O-CB 3.49Å; I202-Q205 PolarHBondContact O-N 3.11Å; W203-Q205 VanDerWaalsContact C-N 3.32Å; W203-Q205 PolarHBondContact O-N 3.34Å; Q205-R207 VanDerWaalsContact C-N 3.34Å; Q205-R207 PolarHBondContact O-N 3.22Å; Q205-R208 PolarHBondContact O-N 3.38Å; Q205-M209 WeakPolarHBondContact O-CG 3.44Å; Q205-M209 PolarHBondContact O-N 2.92Å
206N98.2Very high95.7Very high102 Ų10285.7 Ų85.755%0.54538%0.383SS..Hα-helixtrans-62.6-42.8179.6-68.4-17.4000111.3I202 W203 R208 M209 K210I202-N206 VanDerWaalsContact O-CG 3.28Å; I202-N206 PolarHBondContact O-N 3.28Å; I202-N206 PolarHBondContact O-ND2 3.11Å; W203-N206 PolarHBondContact O-N 3.14Å; N206-R208 PolarHBondContact O-N 3.46Å; N206-M209 PolarHBondContact O-N 3.06Å; N206-K210 PolarHBondContact O-N 2.66Å
207R98.3Very high94Very high42 Ų4289.7 Ų89.716%0.15840%0.399CS..Hα-helixtrans-63.4-42.6179.7-17464.7-173.1116-8.1111.9F175 W203 Q205 K210 W211F175-R207 HydrophobicContact CB-CG 4.41Å; F175-R207 HydrophobicContact CD1-CG 3.73Å; F175-R207 HydrophobicContact CD2-CB 4.19Å; F175-R207 HydrophobicContact CD2-CG 3.58Å; F175-R207 HydrophobicContact CE1-CG 3.8Å; F175-R207 HydrophobicContact CE2-CB 4.18Å; F175-R207 HydrophobicContact CE2-CG 3.66Å; F175-R207 HydrophobicContact CG-CG 3.61Å; F175-R207 HydrophobicContact CZ-CG 3.77Å; W203-R207 HydrophobicContact CE3-CB 3.92Å; W203-R207 HydrophobicContact CE3-CG 4.46Å; W203-R207 HydrophobicContact CH2-CB 4.08Å; W203-R207 HydrophobicContact CH2-CG 3.79Å; W203-R207 HydrophobicContact CZ3-CB 3.66Å; W203-R207 HydrophobicContact CZ3-CG 3.7Å; W203-R207 WeakPolarHBondContact O-CB 3.46Å; W203-R207 PolarHBondContact O-N 3.2Å; Q205-R207 VanDerWaalsContact C-N 3.34Å; Q205-R207 PolarHBondContact O-N 3.22Å; R207-K210 PolarHBondContact O-N 3.27Å; R207-W211 WeakPolarHBondContact O-CB 3.5Å; R207-W211 PolarHBondContact O-N 3Å
208R98Very high92.3Very high64 Ų6492.3 Ų92.324%0.24242%0.421CS..Hα-helixtrans-63.2-40.5173.7-74.9-177.7-66.6155.1-0.2112.3F175 R179 F204 Q205 N206 W211 K212F175-R208 HydrophobicContact CE2-CG 3.75Å; F175-R208 HydrophobicContact CZ-CG 4.32Å; R179-R208 WeakPolarHBondContact O-CD 3.16Å; F204-R208 WeakPolarHBondContact O-CB 3.5Å; F204-R208 VanDerWaalsContact O-CG 3.28Å; F204-R208 WeakPolarHBondContact O-CG 3.07Å; F204-R208 PolarHBondContact O-N 3.37Å; F204-R208 PolarHBondContact O-NE 3.24Å; Q205-R208 PolarHBondContact O-N 3.38Å; N206-R208 PolarHBondContact O-N 3.46Å; R208-W211 PolarHBondContact O-N 3.29Å; R208-K212 VanDerWaalsContact O-CB 3.25Å; R208-K212 WeakPolarHBondContact O-CB 3.17Å; R208-K212 PolarHBondContact O-N 3.19Å
209M97.8Very high90Very high103 Ų10390.5 Ų90.551%0.50743%0.425SS..Hα-helixtrans-62.7-43.8175.8-71.9-58.9-14800112Q205 N206 K212 K213Q205-M209 WeakPolarHBondContact O-CG 3.44Å; Q205-M209 PolarHBondContact O-N 2.92Å; N206-M209 PolarHBondContact O-N 3.06Å; M209-K212 PolarHBondContact O-N 3.26Å; M209-K213 PolarHBondContact O-N 2.75Å
210K96.4Very high87.8Confident122 Ų12294 Ų9453%0.5345%0.45SS..Hα-helixtrans-61.8-50.3174.6-177.7177.3177.6-173.30111.3N206 R207 K212 K213 D214N206-K210 PolarHBondContact O-N 2.66Å; R207-K210 PolarHBondContact O-N 3.27Å; K210-K212 VanDerWaalsContact C-N 3.29Å; K210-K212 PolarHBondContact O-N 3.43Å; K210-K213 WeakPolarHBondContact O-CB 3.17Å; K210-K213 PolarHBondContact O-N 2.94Å; K210-D214 WeakPolarHBondContact CG-OD2 3.22Å; K210-D214 PolarHBondContact O-N 3.05Å
211W95.8Very high85.7Confident84 Ų84102.4 Ų102.432%0.31849%0.487SS..Hα-helixtrans-55.1-45.5176.2-17782.1000111.7F175 R179 R207 R208 K213 D214 H215F175-W211 HydrophobicContact CE1-CB 4.28Å; F175-W211 HydrophobicContact CE1-CG 4.23Å; F175-W211 HydrophobicContact CZ-CB 3.99Å; F175-W211 HydrophobicContact CZ-CG 4.12Å; R179-W211 VanDerWaalsContact NE-CE2 3.26Å; R207-W211 WeakPolarHBondContact O-CB 3.5Å; R207-W211 PolarHBondContact O-N 3Å; R208-W211 PolarHBondContact O-N 3.29Å; W211-K213 VanDerWaalsContact C-N 3.31Å; W211-K213 PolarHBondContact O-N 2.99Å; W211-D214 PolarHBondContact O-N 2.83Å; W211-H215 AromaticContact CD1-CD2 3.17Å; W211-H215 AromaticContact CD1-NE2 3.28Å; W211-H215 VanDerWaalsContact CD1-NE2 3.28Å; W211-H215 AromaticContact CD2-CD2 3.78Å; W211-H215 AromaticContact CE2-CD2 3.35Å; W211-H215 AromaticContact CE2-CG 3.9Å; W211-H215 AromaticContact CE2-NE2 3.79Å; W211-H215 AromaticContact CG-CD2 3.66Å; W211-H215 HydrophobicContact CZ2-CB 4.42Å; W211-H215 AromaticContact NE1-CD2 2.9Å; W211-H215 PolarHBondContact NE1-CD2 3.48Å; W211-H215 AromaticContact NE1-CE1 3.85Å; W211-H215 AromaticContact NE1-CG 3.8Å; W211-H215 AromaticContact NE1-NE2 2.91Å; W211-H215 PolarHBondContact NE1-NE2 3.45Å; W211-H215 WeakPolarHBondContact O-CB 3.45Å; W211-H215 PolarHBondContact O-CD2 2.83Å; W211-H215 PolarHBondContact O-N 3.45Å
212K95.1Very high83.6Confident87 Ų87103.4 Ų103.438%0.37850%0.501SS..Hα-helixtrans-59.1-41.5175.8-173.3-174.669.8173.60111.9R208 M209 K210 R216R208-K212 VanDerWaalsContact O-CB 3.25Å; R208-K212 WeakPolarHBondContact O-CB 3.17Å; R208-K212 PolarHBondContact O-N 3.19Å; M209-K212 PolarHBondContact O-N 3.26Å; K210-K212 VanDerWaalsContact C-N 3.29Å; K210-K212 PolarHBondContact O-N 3.43Å; K212-R216 VanDerWaalsContact CG-CD 3.49Å; K212-R216 HydrophobicContact CG-CG 4.17Å; K212-R216 WeakPolarHBondContact O-CB 3.4Å; K212-R216 WeakPolarHBondContact O-CD 3.5Å; K212-R216 WeakPolarHBondContact O-CG 2.88Å; K212-R216 PolarHBondContact O-N 2.53Å
213K94.6Very high81.1Confident160 Ų160112 Ų11270%0.69653%0.53SS*.Hα-helixtrans-66.3-46.1177.5-176.2177.7176.8178.30111.3M209 K210 W211 H215M209-K213 PolarHBondContact O-N 2.75Å; K210-K213 WeakPolarHBondContact O-CB 3.17Å; K210-K213 PolarHBondContact O-N 2.94Å; W211-K213 VanDerWaalsContact C-N 3.31Å; W211-K213 PolarHBondContact O-N 2.99Å; K213-H215 VanDerWaalsContact C-N 3.34Å; K213-H215 PolarHBondContact O-N 3.43Å
214D91.6Very high78.6Confident85 Ų85115.3 Ų115.346%0.45556%0.558SS.*Hα-helixtrans-68.6-31.9-175.6-58.5-16000112K210 W211K210-D214 WeakPolarHBondContact CG-OD2 3.22Å; K210-D214 PolarHBondContact O-N 3.05Å; W211-D214 PolarHBondContact O-N 2.83Å
215H86.8Confident76.2Confident122 Ų122120.7 Ų120.757%0.56560%0.596SS**Hα-helixtrans-101.3-2.3-176.3-70.3-79.1000115.6W211 K213W211-H215 AromaticContact CD1-CD2 3.17Å; W211-H215 AromaticContact CD1-NE2 3.28Å; W211-H215 VanDerWaalsContact CD1-NE2 3.28Å; W211-H215 AromaticContact CD2-CD2 3.78Å; W211-H215 AromaticContact CE2-CD2 3.35Å; W211-H215 AromaticContact CE2-CG 3.9Å; W211-H215 AromaticContact CE2-NE2 3.79Å; W211-H215 AromaticContact CG-CD2 3.66Å; W211-H215 HydrophobicContact CZ2-CB 4.42Å; W211-H215 AromaticContact NE1-CD2 2.9Å; W211-H215 PolarHBondContact NE1-CD2 3.48Å; W211-H215 AromaticContact NE1-CE1 3.85Å; W211-H215 AromaticContact NE1-CG 3.8Å; W211-H215 AromaticContact NE1-NE2 2.91Å; W211-H215 PolarHBondContact NE1-NE2 3.45Å; W211-H215 WeakPolarHBondContact O-CB 3.45Å; W211-H215 PolarHBondContact O-CD2 2.83Å; W211-H215 PolarHBondContact O-N 3.45Å; K213-H215 VanDerWaalsContact C-N 3.34Å; K213-H215 PolarHBondContact O-N 3.43Å
216R73.6Confident73.4Confident187 Ų187120.8 Ų120.871%0.70661%0.607SS**SBendtrans-95.91.8177.4-77-174.1177.4-132-3.9114.5K212 P218K212-R216 VanDerWaalsContact CG-CD 3.49Å; K212-R216 HydrophobicContact CG-CG 4.17Å; K212-R216 WeakPolarHBondContact O-CB 3.4Å; K212-R216 WeakPolarHBondContact O-CD 3.5Å; K212-R216 WeakPolarHBondContact O-CG 2.88Å; K212-R216 PolarHBondContact O-N 2.53Å; R216-P218 WeakPolarHBondContact O-CD 3.41Å
217L61.6Low70.9Confident141 Ų141121 Ų12174%0.73862%0.616SS**SBendtrans-92.6103168.4-67.6165.5000107.6N219L217-N219 PolarHBondContact O-N 3.29Å; L217-N219 VanDerWaalsContact O-N 3.14Å
218P62.5Low68.2Low116 Ų116124.8 Ų124.875%0.75365%0.649SS**  trans-65.8114.7168.327.6-31.4000108.3R216 T220R216-P218 WeakPolarHBondContact O-CD 3.41Å; P218-T220 PolarHBondContact O-N 3.22Å
219N51.1Low65.4Low136 Ų136126.6 Ų126.673%0.72767%0.672SS**  trans40.875143.7-162.971.9000116.8L217L217-N219 PolarHBondContact O-N 3.29Å; L217-N219 VanDerWaalsContact O-N 3.14Å
220T52.2Low62.8Low131 Ų131127.3 Ų127.380%0.80469%0.687SS**  trans-97.679.6144.256.80000108.1P218 V222P218-T220 PolarHBondContact O-N 3.22Å; T220-V222 PolarHBondContact O-N 2.69Å
221K54Low60Low177 Ų177126.9 Ų126.977%0.7770%0.699SS**  trans-60.579.9157.7176.794.7176.9-170.40107.9
222V54.2Low57.5Low125 Ų125128.1 Ų128.176%0.75872%0.721SS**  trans-170.675.9157.6-92.80000109.8T220T220-V222 PolarHBondContact O-N 2.69Å
223R45.8Very low54.8Low240 Ų240129.9 Ų129.991%0.90674%0.744SS**  -167.485.4129.7-147.990.3168.4-153.1-2.9107.3S225R223-S225 PolarHBondContact O-N 2.91Å
224S46.8Very low52.1Low99 Ų99126 Ų12669%0.69275%0.749SS**  trans-47.7112157.5-29.90000107.8S226S224-S226 PolarHBondContact O-N 3.22Å; S224-S226 VanDerWaalsContact O-N 3.16Å
225S47.2Very low49.5Very low120 Ų120127.9 Ų127.984%0.83977%0.769SS**  trans-81.167.2151.360.60000106.8R223 S227R223-S225 PolarHBondContact O-N 2.91Å; S225-S227 PolarHBondContact O-N 3.12Å
226S40.9Very low47.2Very low93 Ų93129.8 Ų129.865%0.6578%0.784SS**  trans-69.5101.3157.749.90000105.9S224 S228S224-S226 PolarHBondContact O-N 3.22Å; S224-S226 VanDerWaalsContact O-N 3.16Å; S226-S228 VanDerWaalsContact C-N 3.35Å; S226-S228 PolarHBondContact O-N 2.93Å
227S44Very low45.6Very low107 Ų107127.9 Ų127.975%0.74879%0.793SS**  trans-53.7105155.547.70000107.4S225 S229S225-S227 PolarHBondContact O-N 3.12Å; S227-S229 PolarHBondContact O-N 3.23Å
228S41.6Very low44.4Very low121 Ų121124.6 Ų124.685%0.84679%0.793SS**  trans-56.199.8170.546.70000109.2S226S226-S228 VanDerWaalsContact C-N 3.35Å; S226-S228 PolarHBondContact O-N 2.93Å
229S40.7Very low43.2Very low103 Ų103124.7 Ų124.772%0.7280%0.796SS**  trans-107.8109.9155.145.70000106.7S227 S231S227-S229 PolarHBondContact O-N 3.23Å; S229-S231 PolarHBondContact O-N 3.26Å
230S42Very low42.5Very low118 Ų118123 Ų12383%0.82580%0.802SS**  trans-59.5120.9166.445.70000110.3
231S38.4Very low41.9Very low112 Ų112121.5 Ų121.578%0.78380%0.802SS**  trans-163.1117.1141.416.40000110.2S229S229-S231 PolarHBondContact O-N 3.26Å
232S42.2Very low40.8Very low111 Ų111117 Ų11778%0.77681%0.806SS**  trans-44.5137.5162.446.50000113.7
233S38.5Very low39.9Very low123 Ų123114.4 Ų114.486%0.8681%0.805SS**  -176.6122.3129.2-75.60000109
234G37.6Very low39.6Very low79 Ų79110.5 Ų110.581%0.81481%0.807SS**  trans-88.2161.4-179.100000113.3
235S38.2Very low39.2Very low125 Ų125110.6 Ų110.687%0.87481%0.814SS**  trans-168.3118.9147.344.80000109.4
236N39.3Very low38.6Very low162 Ų162108.9 Ų108.987%0.86681%0.807SS**  trans-61144.9169.6-72.5-24.4000111.7
237T38.3Very low38.6Very low146 Ų146111 Ų11190%0.89682%0.816SS**  trans-159.4122.5131.347.50000108.9
238G37.6Very low38.2Very low72 Ų72111.2 Ų111.274%0.74282%0.817SS**  trans-98.1162.7174.300000113.4
239S37.6Very low38Very low118 Ų118109.8 Ų109.883%0.82581%0.813SS**  trans172.2110.9148.9-76.50000106.2
240A36.4Very low37.9Very low102 Ų102111 Ų11184%0.84382%0.817SS**  50.9135.475.600000112.7
241A37.7Very low37.8Very low98 Ų98109.8 Ų109.881%0.8181%0.808SS**  cis-176.2160.4-9.400000106.7
242G32.1Very low37.9Very low83 Ų83111.4 Ų111.486%0.85681%0.813SS**  trans78.2132.9160.400000115.8
243G34.6Very low37.6Very low70 Ų70110 Ų11072%0.72282%0.816SS**  cis107.811527.100000108.8
244V40.2Very low37.7Very low158 Ų158108.8 Ų108.896%0.95881%0.814SS**  trans167.8150.2136.1-820000112
245A37.3Very low38.6Very low101 Ų101111.1 Ų111.184%0.83581%0.814SS**  trans-87.6164.1-17900000113.9
246A35.9Very low38.9Very low85 Ų85112 Ų11270%0.70281%0.81SS**  trans164.2110.514500000109.5
247V39.4Very low39Very low136 Ų136111.7 Ų111.782%0.82480%0.803SS**  65.3124.891-57.50000117.9
248S36Very low39.1Very low112 Ų112111.1 Ų111.178%0.78379%0.793SS**  trans97.6118.1142.3-57.60000122.1
249A37.4Very low39.5Very low92 Ų92114.6 Ų114.676%0.7680%0.8SS**  trans63.8144.5138.900000118.1
250T38.6Very low39.5Very low129 Ų129112 Ų11279%0.79179%0.793SS**  cis-165.916039.6-56.30000109.8
251S40.4Very low39.8Very low91 Ų91111.7 Ų111.764%0.63679%0.79SS**  trans-48.6152.5173.754.60000118.8
252T40.8Very low40.2Very low147 Ų147116.8 Ų116.890%0.90280%0.797SS**  trans147.2130140.437.20000107.4
253G35.1Very low40.6Very low82 Ų82120.7 Ų120.785%0.84579%0.792SS**  cis126.6101.134.800000105.5
254A41Very low41Very low97 Ų97120.9 Ų120.980%0.80280%0.795SS**  trans-153.4160.2-179.300000109.6
255P56.7Low41.7Very low128 Ų128120 Ų12083%0.83178%0.78SS**  cis-124.1162.1-29.233.1-16.9000112.7
256D45.4Very low42.1Very low144 Ų144122.3 Ų122.377%0.7778%0.778SS**  trans-83.5156.9176.1-145.2-26.3000112.4
257E40.4Very low42.5Very low154 Ų154124.7 Ų124.772%0.7278%0.778SS**  trans-20.3168.8166.9-83-154.988.900120.5
258L40.3Very low43.1Very low134 Ų134124.1 Ų124.170%0.70278%0.775SS**  cis169.1130.7-14.2-163.4117.7000105.1
259T45.9Very low43.7Very low145 Ų145130.4 Ų130.489%0.8978%0.781SS**  trans-156.3104.8153.648.30000106
260G38.5Very low44Very low65 Ų65137.5 Ų137.567%0.6781%0.805SS**  91.879.287.500000109.4
261A42.3Very low44.3Very low94 Ų94137.9 Ų137.978%0.77781%0.806SS**  66.8106.898.600000114
262Q45.1Very low44.5Very low205 Ų205140.4 Ų140.496%0.95882%0.815SS**  trans-151.1126.7135-106.7171.848.900110.5
263H40.4Very low44.7Very low165 Ų165140 Ų14076%0.76481%0.81SS**  trans-85.5149-170.5175.579.1000110.3E265H263-E265 IonicContact CE1-OE1 4Å; H263-E265 PolarHBondContact CE1-OE1 3.18Å; H263-E265 IonicContact ND1-OE1 2.82Å
264G43.3Very low45.3Very low75 Ų75143.4 Ų143.477%0.77381%0.808SS**  trans171.974178.100000111.4
265E54.8Low45.6Very low140 Ų140146.3 Ų146.365%0.65481%0.808SS**  trans-83.7138178.5-48.8-173.9-178.100110.5H263H263-E265 IonicContact CE1-OE1 4Å; H263-E265 PolarHBondContact CE1-OE1 3.18Å; H263-E265 IonicContact ND1-OE1 2.82Å
266D46.1Very low44.8Very low148 Ų148147.5 Ų147.579%0.79181%0.807SS**  trans175.5102.8139.4-106.2-35.7000106.9
267I45.3Very low44.8Very low135 Ų135147.8 Ų147.869%0.69281%0.81SS**  43.5103.575.7-54179.4000109.4
268T51.2Low45.1Very low124 Ų124147.3 Ų147.376%0.76182%0.816SS**  -156.3117.891.9-52.40000110.4
269R48.9Very low45.5Very low244 Ų244148.4 Ų148.492%0.92183%0.826SS**  trans-82.6126.8158.2-86.7179.5158147.1-3.9108.3
270L44.3Very low45.5Very low241 Ų241148.7 Ų148.7100%1.26282%0.82SS**  trans-145.90144.5-104.2156.4000107

Retrieved 270 of 270 residues in 94.8 ms (Link to these results)