A0A087YKH6_POEFO Loading...

Activating transcription factor 6

AlphaFold DB , UniProt , Accession A0A087YKH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 647 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
1M33.7Very low34.1Very low232 Ų232156.5 Ų156.5100%1.14386%0.856SS**  0108.20-64.3170.4177.300104.8
2S34.9Very low33.7Very low112 Ų112152.8 Ų152.878%0.78385%0.849SS**  68.7121.950-42.30000109.8
3S38.2Very low33.4Very low114 Ų114153.8 Ų153.880%0.79784%0.843SS**  cis-146.6173.815.3-57.80000113.5
4D42.4Very low33Very low151 Ų151156.5 Ų156.581%0.80785%0.847SS**  trans-59.4162.2176.7-50.4-110.3000115.5
5L35.7Very low33Very low176 Ų176156.2 Ų156.292%0.92184%0.844SS**  -155.4133.3129.8-112.5164.7000112.1
6K37.9Very low33.2Very low191 Ų191154.6 Ų154.683%0.8384%0.844SS**  trans-82.3158.8173.3-81.8177.8170.3175.70111.5
7L30.8Very low33.3Very low160 Ų160153.2 Ų153.284%0.83884%0.842SS**  -158.4150.8125.8-109.4168.6000112
8N33.7Very low33.2Very low146 Ų146154.3 Ų154.378%0.78184%0.842SS**  trans-99.9152.7173.4-87.4-25.5000109.7
9F30.3Very low32.9Very low213 Ų213153.7 Ų153.793%0.93484%0.838SS**  trans-139.7158.7150.1-95.1-74.8000111.1
10G28.2Very low32.8Very low76 Ų76152.3 Ų152.378%0.78484%0.84SS**  trans-118.6-170.7-161.600000116.3
11N29.4Very low33Very low150 Ų150154.3 Ų154.380%0.80284%0.843SS**  trans-73.9140.5-171.4-178.823.4000114.3
12C28.9Very low33.1Very low113 Ų113150.1 Ų150.176%0.76483%0.831SS**  trans-172.7108.2132.1-109.50000115.1
13Q30Very low32.8Very low166 Ų166147.5 Ų147.578%0.77682%0.822SS**  31.5121.4127.6-168.3177.147.400121.3
14Q27.4Very low32.4Very low191 Ų191151 Ų15189%0.89383%0.828SS**  trans-157.3136.4144-122.1169.553.900112.3
15N33.3Very low31.8Very low152 Ų152152.6 Ų152.681%0.81383%0.828SS**  trans-102.3152.3168.1-76.6-3.5000109.6
16P35.7Very low31.8Very low130 Ų130150.1 Ų150.184%0.84482%0.822SS**  trans-117.3151.7147.135.6-26.8000112.3
17V35Very low31.5Very low132 Ų132147.9 Ų147.980%0.882%0.818SS**  trans-105.1142169.7171.20000108.2
18M31.4Very low31.5Very low173 Ų173147.6 Ų147.685%0.85282%0.817SS**  trans-144.3116.4156-87.5-164179.700111.2
19D28.8Very low31.6Very low143 Ų143149.6 Ų149.677%0.76582%0.822SS**  38.6124.2128.6-49.5-23000120.1
20S29.8Very low32.1Very low125 Ų125142.6 Ų142.687%0.87481%0.81SS**  trans-131.176.8174.243.40000111.8
21E37.3Very low32.4Very low194 Ų194140.8 Ų140.891%0.90779%0.792SS**  trans-94.1108.9163.9-75-156.9117.100110.5
22T35.3Very low32.7Very low144 Ų144142.7 Ų142.788%0.88380%0.796SS**  trans-150.5137.5162.2-700000108.9
23G29.6Very low33.4Very low57 Ų57147.9 Ų147.959%0.58880%0.799SS**  trans-68.2135.1-160.600000115.8F25G23-F25 PolarHBondContact O-N 2.86Å; G23-F25 VanDerWaalsContact O-N 3.07Å
24M29.4Very low33.7Very low189 Ų189145.4 Ų145.493%0.93179%0.791SS**  trans-64.8100.2170.1-75.8-82.2-75.700111.6
25F30.4Very low34.5Very low183 Ų183142.7 Ų142.780%0.80378%0.782SS**  trans-83.4124.2160.5-71.8-84.9000109.2G23 I27G23-F25 PolarHBondContact O-N 2.86Å; G23-F25 VanDerWaalsContact O-N 3.07Å; F25-I27 PolarHBondContact O-N 3.08Å; F25-I27 VanDerWaalsContact O-N 3.14Å
26P34.2Very low35Very low124 Ų124139.3 Ų139.381%0.80577%0.77SS**  trans-70.6111.8178.127.9-32.8000110.1D28P26-D28 PolarHBondContact O-N 2.84Å
27I32.4Very low35.5Very low145 Ų145139.4 Ų139.474%0.74476%0.763SS**  trans-70.4109.8174-60.7173.8000108.2F25 Q29F25-I27 PolarHBondContact O-N 3.08Å; F25-I27 VanDerWaalsContact O-N 3.14Å; I27-Q29 HydrophobicContact CG2-CG 4.17Å; I27-Q29 PolarHBondContact O-N 3.33Å; I27-Q29 VanDerWaalsContact O-N 3.14Å
28D29.9Very low35.7Very low154 Ų154139.8 Ų139.882%0.82475%0.754SS**  trans-75.798.1174.1-163.911000109.1P26 G30P26-D28 PolarHBondContact O-N 2.84Å; D28-G30 PolarHBondContact O-N 3.25Å
29Q37.6Very low36.6Very low187 Ų187137.5 Ų137.587%0.87475%0.746SS**  trans-75.862.7178.8-70.2-172.6-16.400111.2I27I27-Q29 HydrophobicContact CG2-CG 4.17Å; I27-Q29 PolarHBondContact O-N 3.33Å; I27-Q29 VanDerWaalsContact O-N 3.14Å
30G40Very low37.5Very low66 Ų66138.7 Ų138.768%0.6875%0.747SS**  trans-128.365.117900000111.2D28D28-G30 PolarHBondContact O-N 3.25Å
31G34.1Very low38.1Very low39 Ų39139.1 Ų139.140%0.40274%0.738SS.*  trans-136.7118.9173.900000110.4
32E35.9Very low38.4Very low190 Ų190137.2 Ų137.289%0.88873%0.734SS**  trans-64138.6168.653.9-108.7122.600110.5
33W43.7Very low39Very low221 Ų221137.7 Ų137.784%0.83773%0.732SS**  trans-87.9119.6171-7193.5000108.4L35W33-L35 PolarHBondContact O-N 3.44Å; W33-L35 VanDerWaalsContact O-N 3.11Å
34D36.7Very low39.5Very low115 Ų115142.5 Ų142.562%0.61574%0.743SS**  trans-77.494.4175.1-160.5-15.6000108.7S36D34-S36 PolarHBondContact O-N 2.86Å; D34-S36 WeakPolarHBondContact OD1-CB 3.35Å; D34-S36 PolarHBondContact OD1-OG 3.16Å
35L43Very low40.1Very low134 Ų134136.4 Ų136.470%0.70273%0.728SS**G310 helixtrans-62.3-25.5-175.5-64.8170.9000112.1W33 L37 F38W33-L35 PolarHBondContact O-N 3.44Å; W33-L35 VanDerWaalsContact O-N 3.11Å; L35-L37 PolarHBondContact O-N 2.69Å; L35-F38 PolarHBondContact O-N 2.85Å
36S45.5Very low40.9Very low80 Ų80133.1 Ų133.156%0.55972%0.719SS**G310 helixtrans-60.3-16.5-176.1-26.70000114.9D34D34-S36 PolarHBondContact O-N 2.86Å; D34-S36 WeakPolarHBondContact OD1-CB 3.35Å; D34-S36 PolarHBondContact OD1-OG 3.16Å
37L44.9Very low41.8Very low132 Ų132131 Ų13169%0.69171%0.712SS**G310 helixtrans-85.9-7.4-177.3-157.572.1000113.8L35L35-L37 PolarHBondContact O-N 2.69Å
38F39.9Very low42.7Very low140 Ų140130.2 Ų130.261%0.61471%0.709SS**THydrogen-bonded Turntrans-108.5-26-179.3-66.5-78.6000113.4L35 E40 L41L35-F38 PolarHBondContact O-N 2.85Å; F38-E40 PolarHBondContact O-N 2.91Å; F38-L41 PolarHBondContact O-N 3.37Å; F38-L41 VanDerWaalsContact O-N 3.15Å
39D49.4Very low43.8Very low126 Ų126129.3 Ų129.367%0.67470%0.7SS**G310 helixtrans-60.5-27.9173.4-65.9-20.1000112.2L41D39-L41 PolarHBondContact O-N 2.78Å
40E47.5Very low44.4Very low168 Ų168126.2 Ų126.279%0.78569%0.689SS**G310 helixtrans-79.71.9179.7-155.4171.1-139.100113.5F38F38-E40 PolarHBondContact O-N 2.91Å
41L42.3Very low44.8Very low134 Ų134128.3 Ų128.370%0.70268%0.684SS**G310 helixtrans-112.2-6.9177.9-146.475.8000114.1F38 D39F38-L41 PolarHBondContact O-N 3.37Å; F38-L41 VanDerWaalsContact O-N 3.15Å; D39-L41 PolarHBondContact O-N 2.78Å
42D44.3Very low45.5Very low153 Ų153133.1 Ų133.182%0.81870%0.696SS**SBendtrans-92.2-6.1-178.7-138.843000112.6L44D42-L44 VanDerWaalsContact C-N 3.28Å; D42-L44 PolarHBondContact O-N 2.65Å
43D47.3Very low46.2Very low155 Ų155127.3 Ų127.383%0.82968%0.681SS**  trans-82.21.3-179.5-159.747.4000113.7G45D43-G45 PolarHBondContact O-N 2.96Å
44L41.5Very low46.3Very low157 Ų157122.5 Ų122.582%0.82267%0.671SS**SBendtrans-86.878.8171.6-84163.2000110.2D42D42-L44 VanDerWaalsContact C-N 3.28Å; D42-L44 PolarHBondContact O-N 2.65Å
45G41.9Very low46.9Very low61 Ų61123.8 Ų123.863%0.62967%0.673SS**  trans-66.2161.4-169.200000117.5D43D43-G45 PolarHBondContact O-N 2.96Å
46D47.5Very low47.1Very low114 Ų114121.9 Ų121.961%0.6167%0.671SS**  trans40.573.5162.6-59.8-7.9000117.4D48 Q49 L50D46-D48 PolarHBondContact O-N 3.03Å; D46-D48 VanDerWaalsContact O-N 3.13Å; D46-Q49 HydrophobicContact CB-CB 3.92Å; D46-Q49 PolarHBondContact O-N 3.46Å; D46-Q49 VanDerWaalsContact O-N 3.09Å; D46-L50 PolarHBondContact O-N 3.18Å
47A52Low46.9Very low79 Ų79120.6 Ų120.665%0.65367%0.67SS**Hα-helixtrans-52.5-29.4164.800000113.1L50 L51A47-L50 PolarHBondContact O-N 2.89Å; A47-L51 PolarHBondContact O-N 3.4Å; A47-L51 VanDerWaalsContact O-N 3.08Å
48D52.3Low46.7Very low129 Ų129117.8 Ų117.869%0.6967%0.666SS**Hα-helixtrans-70.8-34.9179-60.5-39.5000112.5D46 L50 L51 E52D46-D48 PolarHBondContact O-N 3.03Å; D46-D48 VanDerWaalsContact O-N 3.13Å; D48-L50 VanDerWaalsContact C-N 3.32Å; D48-L50 PolarHBondContact O-N 3.49Å; D48-L51 WeakPolarHBondContact O-CB 3.28Å; D48-L51 PolarHBondContact O-N 3.01Å; D48-E52 PolarHBondContact O-N 3.47Å
49Q51.7Low46.9Very low135 Ų135121.9 Ų121.963%0.63168%0.679SS**Hα-helixtrans-70.7-31.1176.1-169.5168.7110.100111.7D46 L51 A53D46-Q49 HydrophobicContact CB-CB 3.92Å; D46-Q49 PolarHBondContact O-N 3.46Å; D46-Q49 VanDerWaalsContact O-N 3.09Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-A53 PolarHBondContact O-N 2.85Å; Q49-A53 VanDerWaalsContact O-N 3.16Å
50L51.3Low46.5Very low123 Ų123119.9 Ų119.964%0.64468%0.68SS**Hα-helixtrans-72.5-29.9172.1-151.4155000111.4D46 A47 D48 L54D46-L50 PolarHBondContact O-N 3.18Å; A47-L50 PolarHBondContact O-N 2.89Å; D48-L50 VanDerWaalsContact C-N 3.32Å; D48-L50 PolarHBondContact O-N 3.49Å; L50-L54 HydrophobicContact CD2-CD1 4.25Å; L50-L54 PolarHBondContact O-N 2.82Å
51L47.6Very low46Very low109 Ų109119.5 Ų119.557%0.57168%0.684SS**Hα-helixtrans-71.1-42.8173.3-156.474.1000112A47 D48 Q49 A53 L54 E55A47-L51 PolarHBondContact O-N 3.4Å; A47-L51 VanDerWaalsContact O-N 3.08Å; D48-L51 WeakPolarHBondContact O-CB 3.28Å; D48-L51 PolarHBondContact O-N 3.01Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.46Å; L51-L54 WeakPolarHBondContact O-CB 3.28Å; L51-L54 PolarHBondContact O-N 2.58Å; L51-E55 PolarHBondContact O-N 2.83Å
52E50.2Low46.2Very low140 Ų140122.2 Ų122.265%0.65469%0.693SS**Hα-helixtrans-65.1-35.1176.4-170.1172.9-155.500112D48 L54 E55 S56D48-E52 PolarHBondContact O-N 3.47Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 3.36Å; E52-E55 PolarHBondContact O-N 2.88Å; E52-S56 WeakPolarHBondContact O-CB 3.38Å; E52-S56 PolarHBondContact O-N 2.95Å; E52-S56 PolarHBondContact O-OG 2.83Å
53A49.5Very low45.8Very low68 Ų68118.1 Ų118.156%0.56269%0.686SS**Hα-helixtrans-65-28.3171.100000113.4Q49 L51 S56Q49-A53 PolarHBondContact O-N 2.85Å; Q49-A53 VanDerWaalsContact O-N 3.16Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.46Å; A53-S56 PolarHBondContact O-OG 3.14Å
54L46.1Very low45.7Very low120 Ų120119.2 Ų119.263%0.62869%0.686SS**Hα-helixtrans-80.4-41.7173.9-91.2161000112.5L50 L51 E52 G57L50-L54 HydrophobicContact CD2-CD1 4.25Å; L50-L54 PolarHBondContact O-N 2.82Å; L51-L54 WeakPolarHBondContact O-CB 3.28Å; L51-L54 PolarHBondContact O-N 2.58Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 3.36Å; L54-G57 PolarHBondContact O-N 2.91Å
55E49.9Very low45.5Very low143 Ų143118.7 Ų118.767%0.66868%0.683SS**Hα-helixtrans-70.4-37.4-179.2-171.3161.1-157.800112.1L51 E52 G57 A58L51-E55 PolarHBondContact O-N 2.83Å; E52-E55 PolarHBondContact O-N 2.88Å; E55-G57 PolarHBondContact O-N 2.94Å; E55-A58 WeakPolarHBondContact O-CB 3Å; E55-A58 PolarHBondContact O-N 3.4Å; E55-A58 VanDerWaalsContact O-N 3.12Å
56S46.5Very low45.1Very low94 Ų94121.9 Ų121.966%0.65769%0.686SS**THydrogen-bonded Turntrans-65.7-22.3174.355.30000113.9E52 A53E52-S56 WeakPolarHBondContact O-CB 3.38Å; E52-S56 PolarHBondContact O-N 2.95Å; E52-S56 PolarHBondContact O-OG 2.83Å; A53-S56 PolarHBondContact O-OG 3.14Å
57G41.2Very low44.5Very low52 Ų52124.8 Ų124.854%0.53669%0.693SS.*THydrogen-bonded Turntrans-77.7-16.8172.400000115L54 E55 Y59L54-G57 PolarHBondContact O-N 2.91Å; E55-G57 PolarHBondContact O-N 2.94Å; G57-Y59 VanDerWaalsContact C-N 3.26Å; G57-Y59 PolarHBondContact O-N 3.33Å; G57-Y59 VanDerWaalsContact O-N 3.13Å
58A40.3Very low43.7Very low74 Ų74127.2 Ų127.261%0.61270%0.695SS**THydrogen-bonded Turntrans-73.7-6-166.100000115.8E55E55-A58 WeakPolarHBondContact O-CB 3Å; E55-A58 PolarHBondContact O-N 3.4Å; E55-A58 VanDerWaalsContact O-N 3.12Å
59Y44.8Very low43Very low225 Ų225127.6 Ų127.688%0.88270%0.696SS**THydrogen-bonded Turntrans-110.230.6-174.5-79.5-77.2000114.5G57G57-Y59 VanDerWaalsContact C-N 3.26Å; G57-Y59 PolarHBondContact O-N 3.33Å; G57-Y59 VanDerWaalsContact O-N 3.13Å
60A41.3Very low42.2Very low85 Ų85128.3 Ų128.370%0.70270%0.704SS**SBendtrans-133.857.7-176.600000116.1
61N36.7Very low41.5Very low160 Ų160129.5 Ų129.586%0.85671%0.71SS**  trans72.9164157.9-157.733.5000118.2
62E45.3Very low40.9Very low191 Ų191129.1 Ų129.189%0.89371%0.714SS**  trans-69.7132.9179.5-63-177.512800112.6
63G36.4Very low40.1Very low66 Ų66127.4 Ų127.468%0.6872%0.715SS**  trans-173.3112.4172.900000113.4L65G63-L65 PolarHBondContact O-N 2.83Å
64H45.4Very low39.3Very low179 Ų179136.1 Ų136.183%0.82973%0.733SS**  trans-70.6105.2169.4170.9-63.7000109.3
65L37.7Very low38.6Very low146 Ų146137 Ų13776%0.76474%0.739SS**  trans-119.2122.6171.7-71.1178.2000110.7G63 F67G63-L65 PolarHBondContact O-N 2.83Å; L65-F67 HydrophobicContact CB-CE2 4.3Å
66D33.2Very low37.8Very low128 Ų128139.5 Ų139.568%0.68475%0.75SS**  trans-86.7144.7175.7-172.616.1000109.4
67F35.1Very low37Very low174 Ų174141.8 Ų141.876%0.76376%0.76SS**  trans-138.175.4-179.4-84.5-73.7000109.8L65L65-F67 HydrophobicContact CB-CE2 4.3Å
68D35.4Very low36.5Very low130 Ų130146.1 Ų146.170%0.69577%0.771SS**  trans-69.4132.9173.6-159.31.1000110.9
69I38.3Very low36Very low138 Ų138148.1 Ų148.171%0.70878%0.775SS**  trans-138.7103.1175.1-65.3-175.8000107.7I71I69-I71 PolarHBondContact O-N 3.37Å
70D33.9Very low35.3Very low149 Ų149142.7 Ų142.780%0.79777%0.77SS**  trans-55.8120.3-179.9-75.5-74.4000113.1
71I35.6Very low34.6Very low148 Ų148144.6 Ų144.676%0.75978%0.779SS**  trans-117119.2160.8-63171.6000106.8I69 P73I69-I71 PolarHBondContact O-N 3.37Å; I71-P73 WeakPolarHBondContact O-CD 2.99Å
72P35.5Very low34.2Very low102 Ų102143.4 Ų143.466%0.66278%0.777SS**  trans-70.1123-162.225.1-34.7000113.1W74P72-W74 PolarHBondContact O-N 2.81Å
73P33.4Very low33.4Very low103 Ų103139.6 Ų139.667%0.66977%0.771SS**  trans-75.4119.9179.229.4-33.5000111.4I71 N75I71-P73 WeakPolarHBondContact O-CD 2.99Å; P73-N75 PolarHBondContact O-N 2.82Å
74W33.1Very low33.1Very low251 Ų251143.1 Ų143.195%0.95178%0.779SS**  trans-77.574.4167.5-84.567.3000110.3P72P72-W74 PolarHBondContact O-N 2.81Å
75N31.3Very low32.3Very low140 Ų140142.5 Ų142.575%0.74978%0.782SS**PPolyproline II helixtrans-84.3149.3176.8-83.6-4.4000113P73P73-N75 PolarHBondContact O-N 2.82Å
76E32.5Very low32Very low195 Ų195138.9 Ų138.991%0.91178%0.78SS**PPolyproline II helixtrans-60148.5174.8-60.5163.2122.900111.2
77V31.5Very low31.9Very low142 Ų142141.9 Ų141.986%0.86179%0.79SS**PPolyproline II helixtrans-98.4116.6172.760.70000110
78D30Very low31.9Very low143 Ų143138.8 Ų138.877%0.76579%0.785SS**  trans-159.6160.1147.8-132.5-30.3000114.2
79T29Very low31.6Very low115 Ų115138.3 Ų138.371%0.70679%0.792SS**  trans60.385.2163.2550000120.6
80S29.9Very low31.4Very low111 Ų111135.3 Ų135.378%0.77680%0.795SS**  49.1129.5122.764.80000123.1
81S28.3Very low31.2Very low125 Ų125136 Ų13687%0.87480%0.799SS**  -161.6148.3125.439.80000114.5
82T27.7Very low31.1Very low135 Ų135133.7 Ų133.783%0.82880%0.796SS**  trans-86.4169.8169.6-7.70000109.4
83C28.6Very low31Very low112 Ų112136.4 Ų136.476%0.75780%0.804SS**  cis-162.8157.626.4-95.10000110.8
84T29.8Very low30.8Very low140 Ų140136.8 Ų136.886%0.85981%0.809SS**  trans-178.5132.9133.232.70000106.9
85D29.6Very low31.5Very low166 Ų166130 Ų13089%0.88880%0.797SS**  cis103.6129.522.8-164.225.6000114.1
86G31.5Very low31.6Very low70 Ų70128 Ų12872%0.72279%0.794SS**  trans136124.6-175.600000116.1
87E30Very low31.5Very low190 Ų190126.9 Ų126.989%0.88879%0.788SS**  trans-109.4-171.6-176.6-56.8-163.888.500113.3
88V34.7Very low31.4Very low109 Ų109125.3 Ų125.366%0.66178%0.779SS**  cis-160.5155.312.977.30000113
89S30.1Very low31.4Very low120 Ų120126.1 Ų126.184%0.83978%0.783SS**  trans62155.4165.1-61.50000118
90G33.4Very low31.4Very low75 Ų75125.6 Ų125.677%0.77378%0.784SS**  cis156.8137.81.600000106.5
91D30.4Very low31.5Very low164 Ų164125.1 Ų125.188%0.87778%0.78SS**  cis-169.8-17641.5-153.7-22.2000111.1
92S32.9Very low31.9Very low99 Ų99125.7 Ų125.769%0.69278%0.778SS**  trans93.3107.8160.6-60.30000122.8
93L33.3Very low32.4Very low159 Ų159124.9 Ų124.983%0.83278%0.776SS**  trans8178.6140.1-55.9177.6000122.5
94S30.4Very low32.6Very low111 Ų111125.1 Ų125.178%0.77678%0.778SS**  43.7154.5106.7-60.90000123.5
95P47.3Very low33.1Very low110 Ų110124.6 Ų124.671%0.71478%0.777SS**  cis-138.5169.5-9.736.8-17.3000117.9
96S32.2Very low33.1Very low96 Ų96121.4 Ų121.467%0.67177%0.774SS**  trans69128154.149.30000120.8
97H30.4Very low32.9Very low172 Ų172123.3 Ų123.380%0.79678%0.776SS**  cis117.2142.613.6-74.5-18.5000110.7
98T29.9Very low32.8Very low109 Ų109120.4 Ų120.467%0.66977%0.771SS**  cis-170.2177.5-6.924.90000110.4
99L29.8Very low32.4Very low160 Ų160123.9 Ų123.984%0.83878%0.78SS**  trans85.3150.2155.4-53.5-169.3000119.1
100S30.3Very low32.3Very low104 Ų104122.2 Ų122.273%0.72777%0.774SS**  cis-167.7157.4-26.3-167.10000112.4
101S30Very low32.1Very low101 Ų101126.3 Ų126.371%0.70678%0.777SS**  trans-11.7129.5169.2-49.90000123.7
102V37.6Very low32.1Very low137 Ų137122.9 Ų122.983%0.8377%0.766SS**  11131119.5-170.70000116
103P37.5Very low32.3Very low119 Ų119124 Ų12477%0.77377%0.771SS**  -146.8176.856.942-22.6000119.1
104S34.3Very low31.9Very low116 Ų116121.4 Ų121.481%0.81177%0.766SS**  trans-77.6160.4174.9-41.70000114.2
105P40.3Very low31.8Very low129 Ų129121.7 Ų121.784%0.83877%0.768SS**  -142.8-177.9125.240.2-28000113.9
106A28Very low30.8Very low99 Ų99123.8 Ų123.882%0.81877%0.773SS**  trans-122.2135.1174.700000112.6
107S27.6Very low30.5Very low110 Ų110127.7 Ų127.777%0.76978%0.78SS**  trans-168.5139.4159.744.70000106.9
108V28.9Very low30.3Very low129 Ų129125.8 Ų125.878%0.78278%0.775SS**  cis76.482.645.2-174.70000112.9
109E26.7Very low30.2Very low183 Ų183128.6 Ų128.686%0.85578%0.781SS**  70.6157.8123.5-156.9155.3-161.400122
110A27.3Very low30.2Very low85 Ų85125 Ų12570%0.70277%0.774SS**  trans84.7139.9167.600000119.1
111L28.3Very low30Very low160 Ų160128 Ų12884%0.83878%0.781SS**  cis-158.3175-11.1-117.6172.9000112.3
112S31.3Very low29.8Very low93 Ų93128.6 Ų128.665%0.6579%0.785SS**  trans-56.8173.9-176.7-42.60000117.4
113P35.9Very low29.9Very low123 Ų123127 Ų12780%0.79978%0.778SS**  -143.8164.29738.4-24.9000114.9
114S26.8Very low29.4Very low104 Ų104129.7 Ų129.773%0.72778%0.78SS**  cis-170.4165.7-19.9-940000110.6
115S26.5Very low29.2Very low117 Ų117128.8 Ų128.882%0.81877%0.774SS**  trans100.3118.2173.472.70000115.8
116L27Very low28.8Very low154 Ų154130.2 Ų130.281%0.80677%0.77SS**  cis102.794.220.1-167.1168000113.2
117H25.5Very low28.8Very low177 Ų177132.8 Ų132.882%0.81977%0.769SS**  -158.2163.7113.6-147.9-83.2000111.5
118D26.9Very low28.8Very low132 Ų132131.4 Ų131.471%0.70676%0.759SS**  trans-117.8171.6-171.1-147-24.5000113
119E28.4Very low29.4Very low169 Ų169130.5 Ų130.579%0.7976%0.756SS**  trans74.3111.2145.6-152.5166.6106.500122.7
120A28.2Very low29.5Very low84 Ų84128.7 Ų128.769%0.69476%0.757SS**  trans62.4174.513800000124.1
121L26.4Very low29.4Very low166 Ų166129.8 Ų129.887%0.86976%0.759SS**  trans76.5109.5168.1-53.7-178.4000119.9
122S27Very low29.5Very low114 Ų114128.1 Ų128.180%0.79776%0.755SS**  trans-78.4155.2140.8-53.30000109.2
123P38.6Very low29.2Very low104 Ų104129.1 Ų129.168%0.67576%0.762SS**  -157.9170.588.941.1-22.4000117.8
124Q27.1Very low28.8Very low175 Ų175128.6 Ų128.682%0.81876%0.762SS**  trans54.6163.2151-100.979-26.700120.3
125S31.1Very low28.8Very low98 Ų98132.4 Ų132.469%0.68577%0.768SS**  cis-172.9150.7-638.30000108.6
126Q30.5Very low28.8Very low159 Ų159131.4 Ų131.474%0.74376%0.761SS**  cis-124.7-148-16.4-47.9-175.713.100106.9S128Q126-S128 PolarHBondContact OE1-OG 2.78Å
127L28Very low28.8Very low153 Ų153130 Ų13080%0.80176%0.764SS**  cis-126.4146.81-86.493.1000107.7
128S27.4Very low28.8Very low81 Ų81125.2 Ų125.257%0.56676%0.763SS**  cis95.1138.941.3-61.40000113Q126Q126-S128 PolarHBondContact OE1-OG 2.78Å
129P43Very low28.8Very low109 Ų109127.7 Ų127.771%0.70877%0.768SS**  cis-146.2160.6-30.941.7-25000116.4
130V27.4Very low28.8Very low145 Ų145125.4 Ų125.488%0.87977%0.77SS**  trans53138.6131.6172.30000119.9
131S26.6Very low28.8Very low108 Ų108129.4 Ų129.476%0.75578%0.775SS**  cis-148.6179.835.177.20000117.7
132V29.5Very low28.8Very low125 Ų125128.5 Ų128.576%0.75878%0.776SS**  trans-80.8162.7-172.4-68.60000116.9
133S26Very low29Very low114 Ų114128.1 Ų128.180%0.79777%0.774SS**  170.1163.9111.5-87.50000114.7
134S27.7Very low29.4Very low113 Ų113128.7 Ų128.779%0.7978%0.777SS**  trans-122.6161.9-172.7-50.10000113.7
135E25.6Very low30.6Very low183 Ų183125.5 Ų125.586%0.85577%0.771SS**  trans66.9143.4141.2-136.8-179.8109.200123.5
136S27.9Very low31.1Very low97 Ų97127 Ų12768%0.67878%0.779SS**  trans92.1143.6140.8-1510000122.9
137S27.3Very low31.2Very low123 Ų123128.2 Ų128.286%0.8678%0.782SS**  trans73.8158.8158.780.70000120.3
138G25.5Very low31.3Very low78 Ų78130.8 Ų130.880%0.80479%0.786SS**  trans136.849.916600000118.8
139F26.8Very low31.3Very low184 Ų184131.7 Ų131.781%0.80780%0.799SS**  trans-79.6125.1170.2178.6-81.8000111
140S27.7Very low30.7Very low120 Ų120131.6 Ų131.684%0.83981%0.807SS**  trans-166.1134.9151.1-85.50000114.5
141E28.1Very low30.8Very low168 Ų168136.5 Ų136.579%0.78581%0.81SS**  trans-78.2150.9176.9168.1-174.8179.100113.5
142V26.3Very low31Very low147 Ų147143.3 Ų143.389%0.89182%0.819SS**  trans-175.2159.4143.11360000111
143S30.4Very low31Very low107 Ų107142.1 Ų142.175%0.74882%0.816SS**  trans-116.2-178-168.176.90000113.6
144P47.7Very low31.1Very low115 Ų115143.5 Ų143.575%0.74782%0.82SS**  trans-88.3-170-162.441.2-40.5000113.4
145P52.5Low31.2Very low108 Ų108146.3 Ų146.370%0.70182%0.821SS**  cis-131.2-158.53.738.5-15.6000113.3
146P41.6Very low31.1Very low129 Ų129149.2 Ų149.284%0.83882%0.824SS**  -151.8-172.287.640.1-19.5000116.6
147K32.3Very low31.1Very low186 Ų186149.1 Ų149.181%0.80982%0.82SS**  trans-111.9154.7-171.2-51162.2-177.1169.40113
148K29.6Very low31.1Very low206 Ų206154.6 Ų154.690%0.89682%0.821SS**  trans176.5131.2137.7-91.5145.9-170.9178.40108.6
149A28.8Very low31.2Very low100 Ų100154.6 Ų154.683%0.82681%0.814SS**  cis91.7110.326.400000115.2
150A29.3Very low31.2Very low108 Ų108155.1 Ų155.189%0.89382%0.816SS**  trans-151.6139.7164.500000111.2
151R30.5Very low32.1Very low247 Ų247155.4 Ų155.493%0.93282%0.815SS**  trans-101154.6172.9-78177.1160.1-156.5-1.8110.6
152R31.1Very low32Very low252 Ų252151.1 Ų151.195%0.95181%0.808SS**  trans-148162.2133.8-154.4161.5-76.8-159-1.4110.8
153S27.7Very low32.1Very low99 Ų99152.2 Ų152.269%0.69280%0.803SS**  trans-148.7150.8-171.9168.60000109.1
154T29.7Very low32.6Very low143 Ų143152.5 Ų152.588%0.87780%0.803SS**  trans-163.5155.1143.615.80000111.5
155Q30Very low31.8Very low172 Ų172150.7 Ų150.780%0.80480%0.797SS**  trans-109.2167.2174.4-60.2168.8-6900110.8
156W23.6Very low30.7Very low244 Ų244155.5 Ų155.592%0.92481%0.807SS**  trans-136.6165150.6-161.1-92.5000110.2
157T27.9Very low30.1Very low96 Ų96160.7 Ų160.759%0.58981%0.81SS**  trans-147.2176.3-168.151.50000113.4
158R25.8Very low30.5Very low237 Ų237157 Ų15789%0.89481%0.805SS**  trans97.2141.5155-163.7177.9-68.9-159-3.6117.7
159A27.1Very low30.5Very low78 Ų78154 Ų15465%0.64580%0.797SS**  cis-173.7151.6-33.500000113.5
160K28.1Very low30.5Very low196 Ų196157.1 Ų157.185%0.85280%0.795SS**  trans64.4165.8146.1-83.5-173.4177.4-174.40119.2
161P47.2Very low30.4Very low125 Ų125160.5 Ų160.581%0.81279%0.794SS**  cis-87.2-150.54.536.2-31.1000114
162A25.1Very low30.2Very low78 Ų78152.5 Ų152.565%0.64579%0.789SS**  cis-153.1-171.16.700000114.7
163Q28.5Very low29.9Very low170 Ų170145.9 Ų145.979%0.79478%0.781SS**  trans-158.8175.7-174.4-87.4-54.2-69.500109.8
164P41.5Very low29.9Very low113 Ų113148.8 Ų148.873%0.73478%0.784SS**  cis-146.3178.521.544.2-24.6000120.3
165A30.7Very low29.7Very low77 Ų77148.2 Ų148.264%0.63677%0.774SS**  trans73.9145.7150.800000119.7
166K28Very low29.5Very low209 Ų209145.4 Ų145.491%0.90977%0.773SS**  cis-152.4177-2.5-111.6162.5-174.1178.30110.5
167R30.4Very low29.6Very low239 Ų239140.2 Ų140.290%0.90276%0.762SS**  trans-123.7-160.9-177.1-58.1-179.6169.7179-4.8110.9
168P39.8Very low29.9Very low107 Ų107143.4 Ų143.470%0.69577%0.77SS**  cis-150.2-171.6-0.839.3-14000120
169I29.4Very low31Very low144 Ų144137.7 Ų137.774%0.73876%0.764SS**  trans60.9161.8158.920.3169000121.4
170Q29.4Very low31.1Very low165 Ų165144.5 Ų144.577%0.77177%0.773SS**  cis-150.4-172.4-6.3-155.7148.8-15.300112.9
171M27.7Very low32.1Very low180 Ų180140.6 Ų140.689%0.88777%0.768SS**  trans-77.1169.3178.9-47.8-171.6-58.300115.6
172G25.1Very low31.3Very low79 Ų79142 Ų14281%0.81477%0.767SS**  trans-166162.7167.900000113.8
173S26.4Very low31.6Very low113 Ų113146 Ų14679%0.7978%0.776SS**  trans-161.8148.7-173.5-165.90000114.1
174Q26.2Very low31.5Very low160 Ų160142.2 Ų142.275%0.74877%0.774SS**  trans65.4144.8157.5-70-79.225.600122.8
175I25.6Very low30.9Very low131 Ų131141.9 Ų141.967%0.67278%0.781SS**  trans69.9103.4141.7-67.1164.6000122.3
176S26.3Very low30.7Very low112 Ų112145.7 Ų145.778%0.78379%0.787SS**  64170.9110.5-1520000124.9
177I26.3Very low30.9Very low136 Ų136141 Ų14170%0.69778%0.779SS**  trans9292.8159.3-49.1-173000120.3
178Q32.4Very low30.6Very low163 Ų163136.5 Ų136.576%0.76277%0.772SS**  55.1175.1124.4-84.5-160.371.200121.8
179P49.6Very low30.1Very low117 Ų117135.8 Ų135.876%0.7677%0.774SS**  cis-128.81786.331.2-8000118.8
180R30Very low30.4Very low221 Ų221134.6 Ų134.683%0.83478%0.776SS**  trans-50.9169.1165.4-90.8177.5178.3177.6-0.5115.1
181P49.6Very low30.3Very low114 Ų114131.3 Ų131.374%0.7478%0.777SS**  cis-140.3-163.335.746.2-26.4000114.8
182L28.7Very low30.2Very low154 Ų154127 Ų12781%0.80677%0.771SS**  cis-157.7-175.54.8-140.7156.7000110
183I31.4Very low30.3Very low162 Ų162130 Ų13083%0.83177%0.773SS**  trans80.9157.4167.4-57.3178.6000116.4
184A27.1Very low30.3Very low91 Ų91129.4 Ų129.475%0.75278%0.775SS**  trans-117.2173.4-136.400000117.1
185A28.3Very low30.7Very low105 Ų105126.1 Ų126.187%0.86878%0.775SS**  trans87.3139.9154.700000120.6
186M26.4Very low31.3Very low157 Ų157125.4 Ų125.477%0.77378%0.779SS**  trans-90171.9171.2-108.51787800109.8L188M186-L188 HydrophobicContact CE-CD1 3.56Å
187P33Very low31.3Very low112 Ų112127.3 Ų127.373%0.72778%0.78SS**  cis-148.1-175.140.843.3-21.9000118.6
188L24.2Very low31.7Very low144 Ų144128.9 Ų128.975%0.75478%0.784SS**  trans7.6145.5155.3-83.455.2000121.8M186M186-L188 HydrophobicContact CE-CD1 3.56Å
189A28.7Very low32.3Very low91 Ų91125.6 Ų125.675%0.75278%0.777SS**  trans-69.4164.5161.900000112.2
190P37.1Very low31.3Very low119 Ų119129.9 Ų129.977%0.77378%0.784SS**  -151.2164.288.140.8-23.9000117.5
191A25.8Very low31.3Very low97 Ų97123.4 Ų123.480%0.80277%0.769SS**  trans56.8143.2141.200000124.5
192A25.9Very low30.6Very low90 Ų90125.1 Ų125.174%0.74477%0.77SS**  trans96.7125.1139.400000122.2
193T26.5Very low30.6Very low140 Ų140122.1 Ų122.186%0.85975%0.754SS**  trans81.4145.4148.20.70000122.1
194A27.5Very low30.7Very low101 Ų101122.4 Ų122.484%0.83576%0.756SS**  trans73.3133.6162.100000120.5
195A33.8Very low30.7Very low92 Ų92126.6 Ų126.676%0.7676%0.76SS**  trans-100.3166.8162.200000109.4
196P38.9Very low31.1Very low115 Ų115127.1 Ų127.175%0.74775%0.754SS**  -159164.587.940-19.1000119.4
197L26.6Very low31.1Very low152 Ų152128.2 Ų128.280%0.79676%0.762SS**  trans59.1103.3141.7-66166.4000125.3
198Q34.5Very low31Very low169 Ų169130.8 Ų130.879%0.7976%0.764SS**  60.4-172.4117.5-57.3-67.6-6.500120.6
199P44.5Very low31.1Very low95 Ų95129.7 Ų129.762%0.61776%0.764SS**  -131.6178.5-86.841.5-25.2000116.2
200K29.9Very low31Very low207 Ų207131.9 Ų131.990%0.977%0.768SS**  trans-160.7169.8159.2-108.5132.1-165.4166.90115.6
201T29.3Very low30.6Very low85 Ų85132.7 Ų132.752%0.52177%0.77SS.*  trans-162.2150.9-141.6-13.20000114.2P639 V640T201-P639 HydrophobicContact CG2-CB 3.41Å; T201-P639 VanDerWaalsContact CG2-CB 3.41Å; T201-P639 HydrophobicContact CG2-CG 3.58Å; T201-V640 HydrophobicContact CG2-CG2 3.92Å
202I35Very low30.7Very low149 Ų149135.6 Ų135.676%0.76477%0.772SS**  trans-144141-179.4-59.3-179000113.6P639I202-P639 VanDerWaalsContact C-CG 3.47Å; I202-P639 WeakPolarHBondContact O-CD 3.48Å; I202-P639 WeakPolarHBondContact O-CG 3.42Å
203I28.1Very low31.2Very low92 Ų92137 Ų13747%0.47277%0.773SS.*  trans-109.2156.1-175.9-21.7177.7000113.6P639 V640I203-P639 WeakPolarHBondContact CG1-O 3.49Å; I203-P639 WeakPolarHBondContact CG2-O 3.35Å; I203-V640 HydrophobicContact CD1-CB 3.69Å; I203-V640 HydrophobicContact CD1-CG1 3.93Å; I203-V640 HydrophobicContact CG1-CB 3.83Å; I203-V640 HydrophobicContact CG1-CG1 4.42Å; I203-V640 HydrophobicContact CG1-CG2 4.42Å
204I32.6Very low31.1Very low168 Ų168137 Ų13786%0.86277%0.773SS**  trans-136.2149.6152.6-58.4-177.1000109.6
205Q28.2Very low31.3Very low179 Ų179138.9 Ų138.984%0.83677%0.774SS**  trans-117.4143.8-168.6179.7-175.166.500112.3
206P36Very low31.1Very low115 Ų115143.1 Ų143.175%0.74778%0.775SS**  trans-97.4154.517936.5-33.9000114.8
207L27.9Very low30.9Very low180 Ų180143.5 Ų143.594%0.94278%0.777SS**  trans-110.4165.8179-158.468.4000112
208Q29.5Very low31.1Very low166 Ų166141.3 Ų141.378%0.77678%0.775SS**  trans-117.8153.4-159.6-55.9-178.14.800116.5
209T26.8Very low31.1Very low122 Ų122139 Ų13975%0.74878%0.775SS**  trans49.3135.5143.851.50000123.4
210T25.6Very low30.3Very low137 Ų137142.6 Ų142.684%0.8479%0.787SS**  -162.3133.6128.7-75.30000110.1
211V30.6Very low30.2Very low135 Ų135137.7 Ų137.782%0.81878%0.779SS**  trans-149144.6174.5-179.20000109.8
212L27.8Very low30.5Very low159 Ų159141.6 Ų141.683%0.83279%0.794SS**  trans-134.5162.8171-81.9175.3000111.2
213P34.8Very low30.5Very low118 Ų118142.8 Ų142.877%0.76680%0.797SS**  trans-108.2175.4-13540.5-39.2000117.5
214V26Very low30.8Very low141 Ų141144.6 Ų144.686%0.85581%0.814SS**  trans-111.7148.1178.1176.10000111.3
215V29.9Very low30.7Very low141 Ų141141.2 Ų141.286%0.85581%0.811SS**  trans-85.2155-175.2179.90000112.6
216K30Very low31.2Very low180 Ų180138.5 Ų138.578%0.78381%0.81SS**  trans-125.5136.1-168.4171.6-174.2176.7-172.40113.2
217P34.6Very low31.9Very low124 Ų124138.6 Ų138.681%0.80581%0.81SS**  trans-99.5171.1157.9-3.624.4000113.5
218S30.7Very low32.6Very low106 Ų106136.3 Ų136.374%0.74181%0.806SS**  trans-106.4155.9-17150.20000115.1
219P34.5Very low32.6Very low121 Ų121131.7 Ų131.779%0.78680%0.803SS**  trans-85163.9174.736.1-35.8000113.4
220I28.7Very low33.1Very low170 Ų170135.1 Ų135.187%0.87281%0.81SS**  trans-118.5151.3172.3-66173.8000108.9
221S28.5Very low34Very low104 Ų104133.7 Ų133.773%0.72780%0.803SS**  trans-115.9140-169.3174.60000113.2
222I34.2Very low34Very low167 Ų167135 Ų13586%0.85680%0.804SS**  trans-140.9141.9163.5-57.1-177.9000108.1
223Q34.6Very low34.2Very low173 Ų173134.2 Ų134.281%0.80881%0.805SS**  trans-94.9161.4-176.9-78.1-172.11.600113.9
224P36.2Very low34.3Very low130 Ų130136.1 Ų136.184%0.84481%0.808SS**  trans-91.5173-178.537.8-37.1000114.4
225A28.7Very low34.4Very low97 Ų97135 Ų13580%0.80281%0.807SS**  trans-136159.4173.300000112.2
226P40.6Very low34.6Very low123 Ų123137.3 Ų137.380%0.79981%0.808SS**  trans-102170.9-160.8-0.523.7000116.8
227P50.6Low34.6Very low117 Ų117133.4 Ų133.476%0.7681%0.809SS**  trans-92.3-162.7173.643.1-39.1000111.4
228P41.6Very low34.3Very low131 Ų131132.6 Ų132.685%0.85181%0.807SS**  cis-135.5-170-4.143.7-25.8000115.5
229G30.5Very low34.6Very low69 Ų69136.7 Ų136.771%0.71181%0.814SS**  trans137.3150.3154.200000119.2
230H37.6Very low34.3Very low194 Ų194138.8 Ų138.890%0.89882%0.818SS**  trans-131.6-170.2173-50.9-84.9000109.8
231P43.6Very low34.5Very low107 Ų107138.8 Ų138.870%0.69582%0.819SS**  cis-134.3-177.3-17.631.8-10.4000115.4
232I31.2Very low34.5Very low163 Ų163141 Ų14184%0.83682%0.817SS**  trans71.9157.3152.6-84.1165.4000116
233V31.9Very low34.2Very low142 Ų142141 Ų14186%0.86182%0.817SS**  cis-131.7-153.411.9760000112.8
234L35.3Very low33.9Very low159 Ų159140.9 Ų140.983%0.83282%0.817SS**  trans-139.1142.1-179.5-177.280.6000111.9
235S29.1Very low33.6Very low117 Ų117140.6 Ų140.682%0.81881%0.813SS**  trans-160176159.368.40000112.5
236Q33.7Very low33.8Very low190 Ų190142.2 Ų142.289%0.88882%0.815SS**  trans-112.1147-157.7-68.1178.5-44.500117.4
237A29.6Very low33.2Very low97 Ų97145.2 Ų145.280%0.80282%0.818SS**  trans23.2131.5144.900000122.3
238S28.6Very low32.1Very low108 Ų108143.6 Ų143.676%0.75582%0.815SS**  -179.5145.6100.848.70000114.9
239Q37.3Very low31.6Very low191 Ų191144.6 Ų144.689%0.89382%0.819SS**  trans146.6155.6133.9-74.5-167.126.500113.5
240L28.9Very low31.5Very low166 Ų166146 Ų14687%0.86982%0.823SS**  trans-129.7144.3-157.3-91.7160.8000113
241L31.8Very low31Very low170 Ų170141.6 Ų141.689%0.8982%0.821SS**  trans-147.884.7154.8-93.8167.9000106.7
242H28Very low30.4Very low149 Ų149144.1 Ų144.169%0.6983%0.828SS**  66104.787.6-155.3122.2000113
243I28.7Very low30.5Very low168 Ų168143 Ų14386%0.86283%0.828SS**  trans-110.1130.6169.8-66.2172.2000107.1
244Q28.8Very low30.4Very low170 Ų170142.7 Ų142.779%0.79483%0.827SS**  trans-104.1134.4-171-169.6171.92.400112.4
245T29.1Very low30.1Very low124 Ų124139.6 Ų139.676%0.76182%0.824SS**  trans-97.9157.6173.246.90000111.9
246P33.6Very low30.1Very low131 Ų131140.5 Ų140.585%0.85182%0.824SS**  trans-124.2142.3152.935.5-24.6000112.2
247Q27.9Very low30.4Very low186 Ų186136.4 Ų136.487%0.86981%0.814SS**  trans-140.3132.1176.6175.5173.7-13.800112
248A28.3Very low30.3Very low84 Ų84137.3 Ų137.369%0.69481%0.81SS**  trans37.8134154.700000122.6
249V30.1Very low30.4Very low152 Ų152139 Ų13992%0.92181%0.81SS**  -137.9158123.2-170.40000107.4
250A28.6Very low30Very low98 Ų98136.1 Ų136.181%0.8180%0.801SS**  trans-116.1148.9-177.100000113.5
251A27.2Very low30.3Very low102 Ų102136.7 Ų136.784%0.84380%0.799SS**  trans-161.3159.1160.400000110.6
252N31.8Very low30.2Very low159 Ų159134.4 Ų134.485%0.8579%0.787SS**  trans-85.4153.3-177.6-58.9-49000112.7
253V32Very low30.3Very low139 Ų139136.1 Ų136.184%0.84279%0.793SS**  175.7145.4119.5150.30000112.3
254V29.5Very low30.5Very low137 Ų137135.7 Ų135.783%0.8379%0.787SS**  trans-37.4131.6173.1-178.90000116.5
255A28.7Very low30.9Very low93 Ų93132.9 Ų132.977%0.76978%0.781SS**  178.3143.3126.400000114.8
256V30.2Very low31.9Very low136 Ų136132.2 Ų132.282%0.82478%0.779SS**  trans-127135.3160.7-175.60000102.9
257P40.8Very low31.9Very low104 Ų104132.4 Ų132.468%0.67578%0.777SS**  -160.9-179.665.140.5-16000119.8
258T27.4Very low32.2Very low116 Ų116128.2 Ų128.271%0.71278%0.775SS**  trans52.4120.5141.252.70000124.5
259L30.3Very low32.7Very low144 Ų144128.5 Ų128.575%0.75478%0.777SS**  72.4147.7111.1-156.770.4000121.8
260N29.2Very low33.3Very low131 Ų131127 Ų12770%0.70177%0.77SS**  trans78.6158.6170.6-49.7-65.3000115.7
261Q34.9Very low34.2Very low177 Ų177127.8 Ų127.883%0.82777%0.767SS**  cis176.7145.7-45.1-121.8-165.3-1.600105.7
262D29.2Very low34.9Very low123 Ų123130.4 Ų130.466%0.65877%0.766SS**  trans59.7108.5151.2-17238.3000122.1
263K30.7Very low35.4Very low185 Ų185128.7 Ų128.780%0.80476%0.761SS**  -160.9166.9128.1-13373.1-178.8177.30113.4
264H31.4Very low35.6Very low159 Ų159127.2 Ų127.274%0.73676%0.757SS**  trans-144.6169-172-152-152.8000107.6
265V38.5Very low36.5Very low111 Ų111126.4 Ų126.467%0.67375%0.752SS**  cis-129.4-119.229.5-161.60000112.6
266P49.3Very low37.1Very low109 Ų109126.8 Ų126.871%0.70875%0.745SS**  trans-125.2-177.8-160.345.7-27.8000116.2
267V33.8Very low38Very low136 Ų136128.1 Ų128.182%0.82475%0.747SS**  trans-174140.61321400000111.7
268A33.8Very low38.5Very low98 Ų98133.5 Ų133.581%0.8175%0.753SS**  trans45.1132.9162.300000122.2
269A38.4Very low39.9Very low89 Ų89134 Ų13474%0.73676%0.757SS**  trans-98.4164.3162.100000110.8
270P43.3Very low41Very low120 Ų120130.8 Ų130.878%0.77974%0.744SS**  -136.7-155.790.345-31.4000111.5
271P47.2Very low42.5Very low116 Ų116127.3 Ų127.375%0.75373%0.73SS**  -121.6154.7-108.731.5-11.4000116.7
272L42.5Very low43.9Very low156 Ų156123.7 Ų123.782%0.81772%0.724SS**  trans55.280.6145-156.2161.6000117.4
273V41.9Very low45.9Very low124 Ų124122.6 Ų122.675%0.75272%0.718SS**  -140.286119-172.40000108.7V275V273-V275 VanDerWaalsContact C-N 3.32Å; V273-V275 HydrophobicContact CG1-CG2 4Å; V273-V275 PolarHBondContact O-N 3.35Å
274S36.7Very low48.3Very low107 Ų107117.7 Ų117.775%0.74870%0.701SS**  trans-73.789.6167.6-60.80000109.1T276S274-T276 PolarHBondContact O-N 2.99Å; S274-T276 PolarHBondContact O-OG1 3.39Å
275V48.1Very low50.7Low120 Ų120114 Ų11473%0.72769%0.687SS**  trans-61.994.2164.2178.70000106.9V273 L277V273-V275 VanDerWaalsContact C-N 3.32Å; V273-V275 HydrophobicContact CG1-CG2 4Å; V273-V275 PolarHBondContact O-N 3.35Å; V275-L277 VanDerWaalsContact C-N 3.33Å; V275-L277 PolarHBondContact O-N 2.89Å
276T40.8Very low52.8Low102 Ų102111.6 Ų111.663%0.62668%0.675SS**  trans-6897.8175.4-48.90000107.4S274 R278S274-T276 PolarHBondContact O-N 2.99Å; S274-T276 PolarHBondContact O-OG1 3.39Å; T276-R278 HydrophobicContact CG2-CG 3.77Å; T276-R278 PolarHBondContact O-N 3.46Å
277L50Low54.6Low164 Ų164114.4 Ų114.486%0.85967%0.671SS**  trans-59.481.8153.4-79.8167.4000107.1V275 T279V275-L277 VanDerWaalsContact C-N 3.33Å; V275-L277 PolarHBondContact O-N 2.89Å; L277-T279 PolarHBondContact O-N 2.91Å
278R50.5Low57.3Low216 Ų216113 Ų11382%0.81566%0.659SS**  trans-62.4105.9163.5-71.5-177.5176.7148.40.2105T276T276-R278 HydrophobicContact CG2-CG 3.77Å; T276-R278 PolarHBondContact O-N 3.46Å
279T57.7Low60Low128 Ų128111.6 Ų111.679%0.78564%0.643SS**  trans-45.1127.9154.325.90000107.1L277 S281L277-T279 PolarHBondContact O-N 2.91Å; T279-S281 PolarHBondContact O-N 3.07Å
280P52.8Low62.6Low76 Ų76112.3 Ų112.349%0.49463%0.631SS.*  trans-56.5134.5-178.923-32.4000108.5D285P280-D285 WeakPolarHBondContact CG-OD2 3.28Å
281S60.5Low65Low57 Ų57112.8 Ų112.840%0.39962%0.621SS.*  trans-59.6144.4166.8177.80000107.5T279 D283 D284 D285T279-S281 PolarHBondContact O-N 3.07Å; S281-D283 PolarHBondContact O-N 3.3Å; S281-D283 PolarHBondContact OG-N 2.9Å; S281-D284 PolarHBondContact O-N 3.05Å; S281-D285 PolarHBondContact O-N 3.09Å
282S65.5Low67.2Low101 Ų101113.3 Ų113.371%0.70661%0.613SS**Hα-helixtrans-55.4-22.3174.2-171.70000112.3S286S282-S286 WeakPolarHBondContact O-CB 3.33Å; S282-S286 PolarHBondContact O-N 3.17Å; S282-S286 VanDerWaalsContact O-N 3.17Å
283D69.9Low69.7Low100 Ų100110.4 Ų110.454%0.53560%0.595SS.*Hα-helixtrans-67.2-36.5172.9-68.7-36000113.3S281 S286 R287S281-D283 PolarHBondContact O-N 3.3Å; S281-D283 PolarHBondContact OG-N 2.9Å; D283-S286 PolarHBondContact O-N 2.97Å; D283-S286 PolarHBondContact O-OG 3.41Å; D283-R287 WeakPolarHBondContact O-CD 3.23Å; D283-R287 VanDerWaalsContact O-CG 3.22Å; D283-R287 WeakPolarHBondContact O-CG 3.44Å; D283-R287 PolarHBondContact O-N 2.94Å
284D80.6Confident72.3Confident82 Ų82112.5 Ų112.544%0.43959%0.59SS.*Hα-helixtrans-74-42.9-177.5-72.4-53000111.2S281 S286 R287 L288S281-D284 PolarHBondContact O-N 3.05Å; D284-S286 VanDerWaalsContact C-N 3.28Å; D284-S286 PolarHBondContact O-N 2.98Å; D284-R287 WeakPolarHBondContact O-CB 3.39Å; D284-R287 PolarHBondContact O-N 3.48Å; D284-L288 WeakPolarHBondContact O-CG 3.46Å; D284-L288 PolarHBondContact O-N 2.94Å
285D82.3Confident75.2Confident82 Ų82113.3 Ų113.344%0.43958%0.583SS.*Hα-helixtrans-64.3-33.8172.4-72-28.5000111.8P280 S281 R287 L288 S289P280-D285 WeakPolarHBondContact CG-OD2 3.28Å; S281-D285 PolarHBondContact O-N 3.09Å; D285-R287 VanDerWaalsContact C-N 3.3Å; D285-R287 PolarHBondContact O-N 3.23Å; D285-L288 PolarHBondContact O-N 3.05Å; D285-S289 WeakPolarHBondContact O-CB 3.48Å; D285-S289 PolarHBondContact O-N 3.27Å; D285-S289 PolarHBondContact O-OG 2.91Å
286S83.8Confident77.4Confident60 Ų60110.7 Ų110.742%0.4256%0.564SS.*Hα-helixtrans-62.9-35.8170.988.80000112.4S282 D283 D284 S289 Q290S282-S286 WeakPolarHBondContact O-CB 3.33Å; S282-S286 PolarHBondContact O-N 3.17Å; S282-S286 VanDerWaalsContact O-N 3.17Å; D283-S286 PolarHBondContact O-N 2.97Å; D283-S286 PolarHBondContact O-OG 3.41Å; D284-S286 VanDerWaalsContact C-N 3.28Å; D284-S286 PolarHBondContact O-N 2.98Å; S286-S289 WeakPolarHBondContact CA-OG 3.37Å; S286-S289 PolarHBondContact O-OG 2.84Å; S286-S289 VanDerWaalsContact O-OG 3.11Å; S286-Q290 WeakPolarHBondContact O-CB 3.37Å; S286-Q290 PolarHBondContact O-N 3.39Å
287R87.1Confident80.1Confident169 Ų169112 Ų11264%0.63856%0.562SS**Hα-helixtrans-76-39.3178.5-71.5162.4-178.2-138-0.7111.9D283 D284 D285 K291D283-R287 WeakPolarHBondContact O-CD 3.23Å; D283-R287 VanDerWaalsContact O-CG 3.22Å; D283-R287 WeakPolarHBondContact O-CG 3.44Å; D283-R287 PolarHBondContact O-N 2.94Å; D284-R287 WeakPolarHBondContact O-CB 3.39Å; D284-R287 PolarHBondContact O-N 3.48Å; D285-R287 VanDerWaalsContact C-N 3.3Å; D285-R287 PolarHBondContact O-N 3.23Å; R287-K291 VanDerWaalsContact O-CB 3.31Å; R287-K291 WeakPolarHBondContact O-CB 3.38Å; R287-K291 PolarHBondContact O-N 2.9Å
288L91Very high82.3Confident106 Ų106109.4 Ų109.456%0.55555%0.548SS*.Hα-helixtrans-66.4-48.4176.2-69.6175.2000111.2D284 D285 Q290 K291 Q292D284-L288 WeakPolarHBondContact O-CG 3.46Å; D284-L288 PolarHBondContact O-N 2.94Å; D285-L288 PolarHBondContact O-N 3.05Å; L288-Q290 PolarHBondContact O-N 3.01Å; L288-K291 WeakPolarHBondContact O-CB 3.48Å; L288-K291 PolarHBondContact O-N 3.24Å; L288-Q292 PolarHBondContact O-N 2.88Å
289S90.3Very high84.6Confident68 Ų68109 Ų10948%0.47655%0.547SS..Hα-helixtrans-62.5-40.8174.756.80000112.2D285 S286 K291 Q292 Q293D285-S289 WeakPolarHBondContact O-CB 3.48Å; D285-S289 PolarHBondContact O-N 3.27Å; D285-S289 PolarHBondContact O-OG 2.91Å; S286-S289 WeakPolarHBondContact CA-OG 3.37Å; S286-S289 PolarHBondContact O-OG 2.84Å; S286-S289 VanDerWaalsContact O-OG 3.11Å; S289-K291 PolarHBondContact O-N 2.85Å; S289-Q292 PolarHBondContact O-N 2.87Å; S289-Q293 WeakPolarHBondContact O-CB 3.21Å; S289-Q293 PolarHBondContact O-N 3.27Å
290Q91.8Very high86.4Confident105 Ų105107.6 Ų107.649%0.49153%0.531SS..Hα-helixtrans-64.3-38.7173.3-166.4-169.782.500112.2S286 L288 Q293 R294S286-Q290 WeakPolarHBondContact O-CB 3.37Å; S286-Q290 PolarHBondContact O-N 3.39Å; L288-Q290 PolarHBondContact O-N 3.01Å; Q290-Q293 PolarHBondContact O-N 2.73Å; Q290-R294 WeakPolarHBondContact O-CG 3.49Å; Q290-R294 PolarHBondContact O-N 3.31Å
291K94.7Very high88.5Confident130 Ų130107 Ų10757%0.56553%0.529SS*.Hα-helixtrans-63-45.4174.2-177.3-176177.5-174.40111R287 L288 S289 Q293 R294 M295R287-K291 VanDerWaalsContact O-CB 3.31Å; R287-K291 WeakPolarHBondContact O-CB 3.38Å; R287-K291 PolarHBondContact O-N 2.9Å; L288-K291 WeakPolarHBondContact O-CB 3.48Å; L288-K291 PolarHBondContact O-N 3.24Å; S289-K291 PolarHBondContact O-N 2.85Å; K291-Q293 PolarHBondContact O-N 3.08Å; K291-R294 WeakPolarHBondContact O-CB 3.24Å; K291-R294 PolarHBondContact O-N 3Å; K291-M295 HydrophobicContact CG-SD 4.36Å; K291-M295 WeakPolarHBondContact O-CG 3.22Å; K291-M295 PolarHBondContact O-N 2.85Å
292Q93.7Very high90.2Very high127 Ų127106 Ų10659%0.59352%0.524SS*.Hα-helixtrans-60.6-44175.1-179.7171.5-2100111.4L288 S289 R294 M295 I296L288-Q292 PolarHBondContact O-N 2.88Å; S289-Q292 PolarHBondContact O-N 2.87Å; Q292-R294 VanDerWaalsContact C-N 3.31Å; Q292-R294 PolarHBondContact O-N 3.48Å; Q292-M295 PolarHBondContact O-N 3.37Å; Q292-M295 VanDerWaalsContact O-N 3.1Å; Q292-I296 HydrophobicContact CG-CD1 3.93Å; Q292-I296 WeakPolarHBondContact O-CG1 3.24Å; Q292-I296 PolarHBondContact O-N 3.46Å
293Q95Very high91.6Very high94 Ų94104.3 Ų104.344%0.43951%0.513SS..Hα-helixtrans-62.7-35.3176.2-171.562.872.300112.8S289 Q290 K291 K297S289-Q293 WeakPolarHBondContact O-CB 3.21Å; S289-Q293 PolarHBondContact O-N 3.27Å; Q290-Q293 PolarHBondContact O-N 2.73Å; K291-Q293 PolarHBondContact O-N 3.08Å; Q293-K297 WeakPolarHBondContact O-CB 3.46Å; Q293-K297 WeakPolarHBondContact O-CG 3.37Å; Q293-K297 PolarHBondContact O-N 3.49Å
294R95.8Very high92.9Very high169 Ų169104.5 Ų104.564%0.63851%0.513SS*.Hα-helixtrans-67.2-40.7171.7-68.6173.8-166.1-153.28.2111.6Q290 K291 Q292 N298Q290-R294 WeakPolarHBondContact O-CG 3.49Å; Q290-R294 PolarHBondContact O-N 3.31Å; K291-R294 WeakPolarHBondContact O-CB 3.24Å; K291-R294 PolarHBondContact O-N 3Å; Q292-R294 VanDerWaalsContact C-N 3.31Å; Q292-R294 PolarHBondContact O-N 3.48Å; R294-N298 VanDerWaalsContact O-CB 3.23Å; R294-N298 WeakPolarHBondContact O-CB 3.41Å; R294-N298 PolarHBondContact O-N 2.8Å
295M96.7Very high93.7Very high124 Ų124104.3 Ų104.361%0.61152%0.518SS*.Hα-helixtrans-66-40176.6-70.4174.365.700112.1K291 Q292 N298 R299K291-M295 HydrophobicContact CG-SD 4.36Å; K291-M295 WeakPolarHBondContact O-CG 3.22Å; K291-M295 PolarHBondContact O-N 2.85Å; Q292-M295 PolarHBondContact O-N 3.37Å; Q292-M295 VanDerWaalsContact O-N 3.1Å; M295-N298 PolarHBondContact O-N 2.85Å; M295-R299 WeakPolarHBondContact O-CB 3.27Å; M295-R299 PolarHBondContact O-N 2.81Å
296I94.7Very high94.4Very high64 Ų64109.8 Ų109.833%0.32853%0.532SS..Hα-helixtrans-61.9-55.3173.6-69.2165.9000110.1Q292 N298 R299 E300Q292-I296 HydrophobicContact CG-CD1 3.93Å; Q292-I296 WeakPolarHBondContact O-CG1 3.24Å; Q292-I296 PolarHBondContact O-N 3.46Å; I296-N298 VanDerWaalsContact C-N 3.27Å; I296-N298 PolarHBondContact O-N 2.84Å; I296-R299 WeakPolarHBondContact O-CB 3.26Å; I296-R299 PolarHBondContact O-N 3.45Å; I296-R299 VanDerWaalsContact O-N 3.09Å; I296-E300 HydrophobicContact CG2-CG 4.44Å; I296-E300 VanDerWaalsContact CG2-OE1 3.23Å; I296-E300 WeakPolarHBondContact CG2-OE1 3.47Å; I296-E300 WeakPolarHBondContact O-CG 3.38Å; I296-E300 PolarHBondContact O-N 2.9Å
297K97.5Very high95.1Very high131 Ų131112.7 Ų112.757%0.5754%0.537SS*.Hα-helixtrans-59.7-35.7178.5-73.8-177177-170.30112.9Q293 S301Q293-K297 WeakPolarHBondContact O-CB 3.46Å; Q293-K297 WeakPolarHBondContact O-CG 3.37Å; Q293-K297 PolarHBondContact O-N 3.49Å; K297-S301 VanDerWaalsContact O-CB 3.29Å; K297-S301 WeakPolarHBondContact O-CB 3.35Å; K297-S301 PolarHBondContact O-N 3.33Å; K297-S301 PolarHBondContact O-OG 3.37Å
298N97.3Very high95.6Very high109 Ų109111.9 Ų111.958%0.58354%0.538SS*.Hα-helixtrans-67.1-46.7174.7-178.9-108.6000111.5R294 M295 I296 E300 S301 A302R294-N298 VanDerWaalsContact O-CB 3.23Å; R294-N298 WeakPolarHBondContact O-CB 3.41Å; R294-N298 PolarHBondContact O-N 2.8Å; M295-N298 PolarHBondContact O-N 2.85Å; I296-N298 VanDerWaalsContact C-N 3.27Å; I296-N298 PolarHBondContact O-N 2.84Å; N298-E300 VanDerWaalsContact C-N 3.33Å; N298-E300 PolarHBondContact O-N 3.44Å; N298-S301 WeakPolarHBondContact CA-OG 3.44Å; N298-S301 PolarHBondContact O-N 3.1Å; N298-S301 PolarHBondContact O-OG 2.89Å; N298-A302 WeakPolarHBondContact O-CB 3.22Å; N298-A302 PolarHBondContact O-N 3.21Å
299R97.6Very high95.9Very high207 Ų207113.4 Ų113.478%0.78154%0.541SS*.Hα-helixtrans-57.8-42.8175.5-177.7175.8179157.7-0.5112.3M295 I296 S303M295-R299 WeakPolarHBondContact O-CB 3.27Å; M295-R299 PolarHBondContact O-N 2.81Å; I296-R299 WeakPolarHBondContact O-CB 3.26Å; I296-R299 PolarHBondContact O-N 3.45Å; I296-R299 VanDerWaalsContact O-N 3.09Å; R299-S303 PolarHBondContact O-N 3.11Å; R299-S303 PolarHBondContact O-OG 2.82Å
300E96Very high96.3Very high98 Ų98116.8 Ų116.846%0.45855%0.547SS..Hα-helixtrans-65.3-47.2174.4-69.2163.7170.400111.8I296 N298 A302 S303 L304I296-E300 HydrophobicContact CG2-CG 4.44Å; I296-E300 VanDerWaalsContact CG2-OE1 3.23Å; I296-E300 WeakPolarHBondContact CG2-OE1 3.47Å; I296-E300 WeakPolarHBondContact O-CG 3.38Å; I296-E300 PolarHBondContact O-N 2.9Å; N298-E300 VanDerWaalsContact C-N 3.33Å; N298-E300 PolarHBondContact O-N 3.44Å; E300-A302 VanDerWaalsContact C-N 3.28Å; E300-A302 PolarHBondContact O-N 2.91Å; E300-S303 PolarHBondContact O-N 2.95Å; E300-S303 PolarHBondContact O-OG 3.48Å; E300-L304 WeakPolarHBondContact O-CB 3.32Å; E300-L304 VanDerWaalsContact O-CG 3.29Å; E300-L304 WeakPolarHBondContact O-CG 3.33Å; E300-L304 PolarHBondContact O-N 3.12Å
301S95.9Very high96.5Very high63 Ų63116.3 Ų116.344%0.44154%0.544SS..Hα-helixtrans-62.8-35177.870.90000112.5K297 N298 S305K297-S301 VanDerWaalsContact O-CB 3.29Å; K297-S301 WeakPolarHBondContact O-CB 3.35Å; K297-S301 PolarHBondContact O-N 3.33Å; K297-S301 PolarHBondContact O-OG 3.37Å; N298-S301 WeakPolarHBondContact CA-OG 3.44Å; N298-S301 PolarHBondContact O-N 3.1Å; N298-S301 PolarHBondContact O-OG 2.89Å; S301-S305 WeakPolarHBondContact O-CB 3.31Å; S301-S305 PolarHBondContact O-N 2.91Å
302A96.9Very high96.7Very high36 Ų36117.6 Ų117.630%0.29855%0.547SS..Hα-helixtrans-72.3-39.5177.200000112.5N298 E300 R306N298-A302 WeakPolarHBondContact O-CB 3.22Å; N298-A302 PolarHBondContact O-N 3.21Å; E300-A302 VanDerWaalsContact C-N 3.28Å; E300-A302 PolarHBondContact O-N 2.91Å; A302-R306 WeakPolarHBondContact O-CB 3.46Å; A302-R306 VanDerWaalsContact O-CG 3.26Å; A302-R306 WeakPolarHBondContact O-CG 3.35Å; A302-R306 PolarHBondContact O-N 2.8Å
303S95.9Very high96.9Very high67 Ų67115 Ų11547%0.46954%0.537SS..Hα-helixtrans-69.8-40.1174.763.80000111.8R299 E300 R306 K307R299-S303 PolarHBondContact O-N 3.11Å; R299-S303 PolarHBondContact O-OG 2.82Å; E300-S303 PolarHBondContact O-N 2.95Å; E300-S303 PolarHBondContact O-OG 3.48Å; S303-R306 PolarHBondContact O-N 2.81Å; S303-K307 WeakPolarHBondContact O-CB 3.38Å; S303-K307 PolarHBondContact O-N 3.35Å
304L96.1Very high97.1Very high104 Ų104114.5 Ų114.555%0.54554%0.537SS..Hα-helixtrans-65.1-38.8174-71172.6000112.5E300 K307 K308E300-L304 WeakPolarHBondContact O-CB 3.32Å; E300-L304 VanDerWaalsContact O-CG 3.29Å; E300-L304 WeakPolarHBondContact O-CG 3.33Å; E300-L304 PolarHBondContact O-N 3.12Å; L304-K307 PolarHBondContact O-N 3.47Å; L304-K308 WeakPolarHBondContact O-CB 3.43Å; L304-K308 WeakPolarHBondContact O-CG 3.27Å; L304-K308 PolarHBondContact O-N 2.95Å
305S96.9Very high97.2Very high77 Ų77109.8 Ų109.854%0.53853%0.529SS..Hα-helixtrans-62.8-47173.6173.20000111.7S301 K307 K308 K309S301-S305 WeakPolarHBondContact O-CB 3.31Å; S301-S305 PolarHBondContact O-N 2.91Å; S305-K307 PolarHBondContact O-N 3.01Å; S305-K308 PolarHBondContact O-N 2.92Å; S305-K309 PolarHBondContact O-N 2.88Å
306R97.6Very high97.2Very high197 Ų197107.8 Ų107.874%0.74352%0.521SS*.Hα-helixtrans-61.3-41.4174.5-71.3169.9-176.2-168.70112.1A302 S303 K309 K310A302-R306 WeakPolarHBondContact O-CB 3.46Å; A302-R306 VanDerWaalsContact O-CG 3.26Å; A302-R306 WeakPolarHBondContact O-CG 3.35Å; A302-R306 PolarHBondContact O-N 2.8Å; S303-R306 PolarHBondContact O-N 2.81Å; R306-K309 PolarHBondContact O-N 2.71Å; R306-K310 PolarHBondContact O-N 3.08Å
307K97.8Very high97.4Very high121 Ų121109.4 Ų109.453%0.52653%0.527SS..Hα-helixtrans-61.6-51.5175.5178.2171.2170.8174.60111.2S303 L304 S305 K309 K310 E311S303-K307 WeakPolarHBondContact O-CB 3.38Å; S303-K307 PolarHBondContact O-N 3.35Å; L304-K307 PolarHBondContact O-N 3.47Å; S305-K307 PolarHBondContact O-N 3.01Å; K307-K309 VanDerWaalsContact C-N 3.33Å; K307-K309 PolarHBondContact O-N 3.48Å; K307-K310 WeakPolarHBondContact O-CB 3.36Å; K307-K310 PolarHBondContact O-N 2.81Å; K307-K310 VanDerWaalsContact O-N 3.07Å; K307-E311 VanDerWaalsContact CE-CD 3.47Å; K307-E311 WeakPolarHBondContact CE-OE1 3.48Å; K307-E311 HydrophobicContact CG-CG 4.38Å; K307-E311 IonicContact NZ-OE1 2.96Å; K307-E311 WeakPolarHBondContact O-CG 3.4Å; K307-E311 PolarHBondContact O-N 3.46Å
308K97.9Very high97.4Very high152 Ų152105.7 Ų105.766%0.66152%0.521SS*.Hα-helixtrans-58.6-40.7176.7-76.5-173173.9-168.30112.9L304 S305 E311 Y312L304-K308 WeakPolarHBondContact O-CB 3.43Å; L304-K308 WeakPolarHBondContact O-CG 3.27Å; L304-K308 PolarHBondContact O-N 2.95Å; S305-K308 PolarHBondContact O-N 2.92Å; K308-E311 PolarHBondContact O-N 3.45Å; K308-Y312 WeakPolarHBondContact O-CB 3.21Å; K308-Y312 PolarHBondContact O-N 2.84Å
309K97.9Very high97.4Very high139 Ų139108.6 Ų108.660%0.60452%0.524SS*.Hα-helixtrans-65.1-39.2174.9-175168.7179.71740111.8S305 R306 K307 L313S305-K309 PolarHBondContact O-N 2.88Å; R306-K309 PolarHBondContact O-N 2.71Å; K307-K309 VanDerWaalsContact C-N 3.33Å; K307-K309 PolarHBondContact O-N 3.48Å; K309-L313 HydrophobicContact CG-CD1 4.06Å; K309-L313 HydrophobicContact CG-CG 4.4Å; K309-L313 WeakPolarHBondContact O-CB 3.14Å; K309-L313 VanDerWaalsContact O-CG 3.3Å; K309-L313 WeakPolarHBondContact O-CG 3.26Å; K309-L313 PolarHBondContact O-N 2.89Å
310K98.3Very high97.4Very high138 Ų138103.5 Ų103.560%0.651%0.512SS*.Hα-helixtrans-63.8-44.4173.6-178.5174177.4174.70111.8R306 K307 L313 L314R306-K310 PolarHBondContact O-N 3.08Å; K307-K310 WeakPolarHBondContact O-CB 3.36Å; K307-K310 PolarHBondContact O-N 2.81Å; K307-K310 VanDerWaalsContact O-N 3.07Å; K310-L313 PolarHBondContact O-N 3.5Å; K310-L314 HydrophobicContact CD-CD1 4.48Å; K310-L314 HydrophobicContact CG-CD1 3.93Å; K310-L314 HydrophobicContact CG-CG 4.31Å; K310-L314 WeakPolarHBondContact O-CB 3.4Å; K310-L314 VanDerWaalsContact O-CG 3.3Å; K310-L314 WeakPolarHBondContact O-CG 3.34Å; K310-L314 PolarHBondContact O-N 2.83Å
311E97.4Very high97.5Very high95 Ų95105.9 Ų105.944%0.44452%0.52SS..Hα-helixtrans-63.9-40.6178.5-70.6168.8149.800111.8K307 K308 S315K307-E311 VanDerWaalsContact CE-CD 3.47Å; K307-E311 WeakPolarHBondContact CE-OE1 3.48Å; K307-E311 HydrophobicContact CG-CG 4.38Å; K307-E311 IonicContact NZ-OE1 2.96Å; K307-E311 WeakPolarHBondContact O-CG 3.4Å; K307-E311 PolarHBondContact O-N 3.46Å; K308-E311 PolarHBondContact O-N 3.45Å; E311-S315 WeakPolarHBondContact O-CB 3.44Å; E311-S315 PolarHBondContact O-N 3.31Å
312Y97.8Very high97.5Very high157 Ų157107.2 Ų107.262%0.61653%0.525SS*.Hα-helixtrans-64.4-45.9173.4177.1-98.9000112.6K308 S315 L316K308-Y312 WeakPolarHBondContact O-CB 3.21Å; K308-Y312 PolarHBondContact O-N 2.84Å; Y312-S315 WeakPolarHBondContact O-CB 3.29Å; Y312-S315 PolarHBondContact O-N 2.93Å; Y312-L316 PolarHBondContact O-N 2.85Å
313L98.3Very high97.5Very high72 Ų72108 Ų10838%0.37753%0.532SS..Hα-helixtrans-63-45.1177.2-73.4171.6000111.8K309 K310 S315 L316 E317K309-L313 HydrophobicContact CG-CD1 4.06Å; K309-L313 HydrophobicContact CG-CG 4.4Å; K309-L313 WeakPolarHBondContact O-CB 3.14Å; K309-L313 VanDerWaalsContact O-CG 3.3Å; K309-L313 WeakPolarHBondContact O-CG 3.26Å; K309-L313 PolarHBondContact O-N 2.89Å; K310-L313 PolarHBondContact O-N 3.5Å; L313-S315 VanDerWaalsContact C-N 3.28Å; L313-S315 PolarHBondContact O-N 3.28Å; L313-L316 WeakPolarHBondContact O-CB 3.27Å; L313-L316 PolarHBondContact O-N 3.23Å; L313-L316 VanDerWaalsContact O-N 3.09Å; L313-E317 WeakPolarHBondContact O-CB 3.1Å; L313-E317 WeakPolarHBondContact O-CG 3.44Å; L313-E317 PolarHBondContact O-N 3.33Å
314L98.3Very high97.5Very high85 Ų85109.8 Ų109.845%0.44554%0.536SS..Hα-helixtrans-61.7-35.2174.6-71.8172.7000112.4K310 A318K310-L314 HydrophobicContact CD-CD1 4.48Å; K310-L314 HydrophobicContact CG-CD1 3.93Å; K310-L314 HydrophobicContact CG-CG 4.31Å; K310-L314 WeakPolarHBondContact O-CB 3.4Å; K310-L314 VanDerWaalsContact O-CG 3.3Å; K310-L314 WeakPolarHBondContact O-CG 3.34Å; K310-L314 PolarHBondContact O-N 2.83Å; L314-A318 VanDerWaalsContact O-CB 3.32Å; L314-A318 WeakPolarHBondContact O-CB 3.36Å; L314-A318 PolarHBondContact O-N 3.26Å
315S97.7Very high97.5Very high69 Ų69108 Ų10848%0.48353%0.532SS..Hα-helixtrans-69.3-35.9174-176.60000112.3E311 Y312 L313 R319E311-S315 WeakPolarHBondContact O-CB 3.44Å; E311-S315 PolarHBondContact O-N 3.31Å; Y312-S315 WeakPolarHBondContact O-CB 3.29Å; Y312-S315 PolarHBondContact O-N 2.93Å; L313-S315 VanDerWaalsContact C-N 3.28Å; L313-S315 PolarHBondContact O-N 3.28Å; S315-R319 WeakPolarHBondContact O-CG 3.3Å; S315-R319 PolarHBondContact O-N 3.47Å
316L97.7Very high97.5Very high83 Ų83110 Ų11044%0.43553%0.533SS..Hα-helixtrans-69.5-44.7174.6-173.565.8000111.3Y312 L313 A318 R319 L320Y312-L316 PolarHBondContact O-N 2.85Å; L313-L316 WeakPolarHBondContact O-CB 3.27Å; L313-L316 PolarHBondContact O-N 3.23Å; L313-L316 VanDerWaalsContact O-N 3.09Å; L316-A318 VanDerWaalsContact C-N 3.3Å; L316-A318 PolarHBondContact O-N 3.17Å; L316-R319 PolarHBondContact O-N 2.77Å; L316-L320 WeakPolarHBondContact O-CB 3.48Å; L316-L320 PolarHBondContact O-N 3.23Å
317E97.9Very high97.4Very high98 Ų98104 Ų10446%0.45852%0.516SS..Hα-helixtrans-58.2-40.6172.6-71.7165.9-142.400111.7L313 K321L313-E317 WeakPolarHBondContact O-CB 3.1Å; L313-E317 WeakPolarHBondContact O-CG 3.44Å; L313-E317 PolarHBondContact O-N 3.33Å; E317-K321 WeakPolarHBondContact O-CG 3.05Å; E317-K321 PolarHBondContact O-N 3.17Å
318A97.7Very high97.3Very high53 Ų53105.1 Ų105.144%0.43852%0.523SS..Hα-helixtrans-66.6-44.9175.100000112.2L314 L316 L320 K321 V322L314-A318 VanDerWaalsContact O-CB 3.32Å; L314-A318 WeakPolarHBondContact O-CB 3.36Å; L314-A318 PolarHBondContact O-N 3.26Å; L316-A318 VanDerWaalsContact C-N 3.3Å; L316-A318 PolarHBondContact O-N 3.17Å; A318-L320 VanDerWaalsContact C-N 3.34Å; A318-L320 PolarHBondContact O-N 2.96Å; A318-K321 PolarHBondContact O-N 2.92Å; A318-V322 WeakPolarHBondContact O-CG2 3.39Å; A318-V322 PolarHBondContact O-N 3.21Å
319R97.4Very high97.3Very high170 Ų170100 Ų10064%0.64251%0.509SS*.Hα-helixtrans-61.7-41174.6-78.1-175.665.2-178.1-3.3112.2S315 L316 V322 A323S315-R319 WeakPolarHBondContact O-CG 3.3Å; S315-R319 PolarHBondContact O-N 3.47Å; L316-R319 PolarHBondContact O-N 2.77Å; R319-V322 PolarHBondContact O-N 2.73Å; R319-A323 WeakPolarHBondContact O-CB 3.44Å; R319-A323 PolarHBondContact O-N 2.81Å
320L97.7Very high97.2Very high100 Ų10097.1 Ų97.152%0.52450%0.5SS..Hα-helixtrans-62.2-44.9176.4-177.2155.1000110.9L316 A318 V322 A323 L324L316-L320 WeakPolarHBondContact O-CB 3.48Å; L316-L320 PolarHBondContact O-N 3.23Å; A318-L320 VanDerWaalsContact C-N 3.34Å; A318-L320 PolarHBondContact O-N 2.96Å; L320-V322 PolarHBondContact O-N 3.36Å; L320-A323 PolarHBondContact O-N 3.35Å; L320-L324 HydrophobicContact CD2-CD1 3.59Å; L320-L324 HydrophobicContact CD2-CG 4.1Å; L320-L324 WeakPolarHBondContact O-CG 3.41Å; L320-L324 PolarHBondContact O-N 3.35Å
321K97.8Very high97.1Very high148 Ų14897.3 Ų97.364%0.64350%0.5SS*.Hα-helixtrans-60.7-43.2175.5-76.6174.8177.7-179.70112.8E317 A318 L324 S325E317-K321 WeakPolarHBondContact O-CG 3.05Å; E317-K321 PolarHBondContact O-N 3.17Å; A318-K321 PolarHBondContact O-N 2.92Å; K321-L324 PolarHBondContact O-N 2.8Å; K321-S325 PolarHBondContact O-N 3Å; K321-S325 PolarHBondContact O-OG 3Å
322V97.6Very high97Very high90 Ų9096.5 Ų96.555%0.54551%0.506SS..Hα-helixtrans-60.8-50.6174.7172.80000110.5A318 R319 L320 L324 S325 E326A318-V322 WeakPolarHBondContact O-CG2 3.39Å; A318-V322 PolarHBondContact O-N 3.21Å; R319-V322 PolarHBondContact O-N 2.73Å; L320-V322 PolarHBondContact O-N 3.36Å; V322-L324 VanDerWaalsContact C-N 3.31Å; V322-L324 PolarHBondContact O-N 3.38Å; V322-S325 PolarHBondContact O-N 2.77Å; V322-S325 VanDerWaalsContact O-N 3.13Å; V322-S325 PolarHBondContact O-OG 3.27Å; V322-E326 WeakPolarHBondContact O-CB 3.28Å; V322-E326 PolarHBondContact O-N 3.5Å
323A95.1Very high97Very high52 Ų5294.5 Ų94.543%0.4350%0.502SS..Hα-helixtrans-61.3-35.2179.700000113.2R319 L320 N327R319-A323 WeakPolarHBondContact O-CB 3.44Å; R319-A323 PolarHBondContact O-N 2.81Å; L320-A323 PolarHBondContact O-N 3.35Å; A323-N327 VanDerWaalsContact O-CB 3.29Å; A323-N327 WeakPolarHBondContact O-CB 3.19Å; A323-N327 PolarHBondContact O-N 2.82Å
324L97Very high96.8Very high105 Ų10595.2 Ų95.255%0.5551%0.506SS..Hα-helixtrans-67.6-44172.9-72.7-177.4000112L320 K321 V322 E326 N327 E328L320-L324 HydrophobicContact CD2-CD1 3.59Å; L320-L324 HydrophobicContact CD2-CG 4.1Å; L320-L324 WeakPolarHBondContact O-CG 3.41Å; L320-L324 PolarHBondContact O-N 3.35Å; K321-L324 PolarHBondContact O-N 2.8Å; V322-L324 VanDerWaalsContact C-N 3.31Å; V322-L324 PolarHBondContact O-N 3.38Å; L324-E326 VanDerWaalsContact C-N 3.31Å; L324-E326 PolarHBondContact O-N 2.78Å; L324-N327 WeakPolarHBondContact O-CB 3.23Å; L324-N327 PolarHBondContact O-N 3.2Å; L324-E328 PolarHBondContact O-N 2.88Å
325S96.3Very high96.7Very high68 Ų6892.6 Ų92.648%0.47650%0.5SS..Hα-helixtrans-66.1-32.7176.562.70000113K321 V322 A329K321-S325 PolarHBondContact O-N 3Å; K321-S325 PolarHBondContact O-OG 3Å; V322-S325 PolarHBondContact O-N 2.77Å; V322-S325 VanDerWaalsContact O-N 3.13Å; V322-S325 PolarHBondContact O-OG 3.27Å; S325-A329 WeakPolarHBondContact O-CB 3.33Å; S325-A329 PolarHBondContact O-N 3.17Å
326E96.6Very high96.6Very high117 Ų11793.5 Ų93.555%0.54750%0.499SS..Hα-helixtrans-68.3-41.5171.5-174.9175.3-173.500111.1V322 L324 E328 A329 L330V322-E326 WeakPolarHBondContact O-CB 3.28Å; V322-E326 PolarHBondContact O-N 3.5Å; L324-E326 VanDerWaalsContact C-N 3.31Å; L324-E326 PolarHBondContact O-N 2.78Å; E326-E328 PolarHBondContact O-N 3.33Å; E326-A329 PolarHBondContact O-N 2.82Å; E326-L330 HydrophobicContact CG-CD1 4.09Å; E326-L330 WeakPolarHBondContact O-CB 3.03Å; E326-L330 VanDerWaalsContact O-CG 3.26Å; E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.47Å
327N95Very high96.5Very high73 Ų7394.3 Ų94.339%0.3950%0.503SS..Hα-helixtrans-64.6-37.5175.4-164.6-96000112.5A323 L324 K331A323-N327 VanDerWaalsContact O-CB 3.29Å; A323-N327 WeakPolarHBondContact O-CB 3.19Å; A323-N327 PolarHBondContact O-N 2.82Å; L324-N327 WeakPolarHBondContact O-CB 3.23Å; L324-N327 PolarHBondContact O-N 3.2Å; N327-K331 WeakPolarHBondContact O-CB 3.2Å; N327-K331 WeakPolarHBondContact O-CD 3.04Å; N327-K331 VanDerWaalsContact O-CG 3.27Å; N327-K331 WeakPolarHBondContact O-CG 3.3Å; N327-K331 PolarHBondContact O-N 3.09Å; N327-K331 WeakPolarHBondContact OD1-CE 3.36Å; N327-K331 PolarHBondContact OD1-NZ 3.34Å
328E96.6Very high96.4Very high144 Ų14496.9 Ų96.967%0.67351%0.513SS*.Hα-helixtrans-65.5-47.2172.8-172.6-179170.400111.6L324 E326 L330 K331 S332L324-E328 PolarHBondContact O-N 2.88Å; E326-E328 PolarHBondContact O-N 3.33Å; E328-L330 PolarHBondContact O-N 2.86Å; E328-K331 WeakPolarHBondContact O-CB 3.5Å; E328-K331 PolarHBondContact O-N 3.49Å; E328-S332 PolarHBondContact O-N 3.06Å
329A96.7Very high96.3Very high45 Ų45101.5 Ų101.537%0.37252%0.523SS..Hα-helixtrans-57.7-51174.900000111.3S325 E326 K331 S332 E333S325-A329 WeakPolarHBondContact O-CB 3.33Å; S325-A329 PolarHBondContact O-N 3.17Å; E326-A329 PolarHBondContact O-N 2.82Å; A329-K331 VanDerWaalsContact C-N 3.3Å; A329-K331 PolarHBondContact O-N 2.92Å; A329-S332 WeakPolarHBondContact O-CA 3.47Å; A329-S332 WeakPolarHBondContact O-CB 3.49Å; A329-S332 PolarHBondContact O-N 3.46Å; A329-S332 PolarHBondContact O-OG 2.77Å; A329-E333 PolarHBondContact O-N 3.48Å
330L96.1Very high96.2Very high78 Ų7898.3 Ų98.341%0.40852%0.515SS..Hα-helixtrans-61.8-33.8177-71.3170.6000112.8E326 E328 N334E326-L330 HydrophobicContact CG-CD1 4.09Å; E326-L330 WeakPolarHBondContact O-CB 3.03Å; E326-L330 VanDerWaalsContact O-CG 3.26Å; E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.47Å; E328-L330 PolarHBondContact O-N 2.86Å; L330-N334 WeakPolarHBondContact O-CB 3.31Å; L330-N334 PolarHBondContact O-N 3.2Å; L330-N334 PolarHBondContact O-ND2 2.82Å
331K96.5Very high96Very high141 Ų14199.1 Ų99.161%0.61352%0.519SS*.Hα-helixtrans-66.1-40.6171.7-83.1165.5172.4160.70111.6N327 E328 A329 G335N327-K331 WeakPolarHBondContact O-CB 3.2Å; N327-K331 WeakPolarHBondContact O-CD 3.04Å; N327-K331 VanDerWaalsContact O-CG 3.27Å; N327-K331 WeakPolarHBondContact O-CG 3.3Å; N327-K331 PolarHBondContact O-N 3.09Å; N327-K331 WeakPolarHBondContact OD1-CE 3.36Å; N327-K331 PolarHBondContact OD1-NZ 3.34Å; E328-K331 WeakPolarHBondContact O-CB 3.5Å; E328-K331 PolarHBondContact O-N 3.49Å; A329-K331 VanDerWaalsContact C-N 3.3Å; A329-K331 PolarHBondContact O-N 2.92Å; K331-G335 PolarHBondContact O-N 2.77Å
332S95.4Very high95.8Very high79 Ų7998.4 Ų98.455%0.55252%0.519SS*.Hα-helixtrans-65.6-40.8175.984.50000112.2E328 A329 G335 N336E328-S332 PolarHBondContact O-N 3.06Å; A329-S332 WeakPolarHBondContact O-CA 3.47Å; A329-S332 WeakPolarHBondContact O-CB 3.49Å; A329-S332 PolarHBondContact O-N 3.46Å; A329-S332 PolarHBondContact O-OG 2.77Å; S332-G335 PolarHBondContact O-N 3.48Å; S332-N336 PolarHBondContact O-N 2.73Å
333E96.9Very high95.6Very high114 Ų11495.4 Ų95.453%0.53351%0.505SS..Hα-helixtrans-66.8-45.5175.6-71.6-172.9171.400111.5A329 G335 N336 L337A329-E333 PolarHBondContact O-N 3.48Å; E333-G335 VanDerWaalsContact C-N 3.28Å; E333-G335 PolarHBondContact O-N 3.28Å; E333-N336 WeakPolarHBondContact O-CB 3.32Å; E333-N336 PolarHBondContact O-N 2.98Å; E333-N336 VanDerWaalsContact O-N 3.11Å; E333-L337 WeakPolarHBondContact O-CB 3.45Å; E333-L337 WeakPolarHBondContact O-CG 3.42Å; E333-L337 PolarHBondContact O-N 3.03Å
334N94.4Very high95.5Very high88 Ų8898.3 Ų98.347%0.47151%0.513SS..Hα-helixtrans-60.8-37.5173.2-84.5-78.6000111.9L330 L337 K338L330-N334 WeakPolarHBondContact O-CB 3.31Å; L330-N334 PolarHBondContact O-N 3.2Å; L330-N334 PolarHBondContact O-ND2 2.82Å; N334-L337 PolarHBondContact O-N 2.8Å; N334-K338 WeakPolarHBondContact O-CB 3.43Å; N334-K338 VanDerWaalsContact O-CG 3.3Å; N334-K338 WeakPolarHBondContact O-CG 3.5Å; N334-K338 PolarHBondContact O-N 3.03Å
335G96.5Very high95.1Very high30 Ų3098.8 Ų98.831%0.30952%0.516SS..Hα-helixtrans-63.5-39.5172.500000113.1K331 S332 E333 K339K331-G335 PolarHBondContact O-N 2.77Å; S332-G335 PolarHBondContact O-N 3.48Å; E333-G335 VanDerWaalsContact C-N 3.28Å; E333-G335 PolarHBondContact O-N 3.28Å; G335-K339 WeakPolarHBondContact O-CG 3.21Å; G335-K339 PolarHBondContact O-N 3.3Å; G335-K339 VanDerWaalsContact O-N 3.14Å
336N96.3Very high94.7Very high88 Ų8898.1 Ų98.147%0.47151%0.511SS..Hα-helixtrans-67.8-46.6174.7-1728.4000111.5S332 E333 K338 K339 Q340S332-N336 PolarHBondContact O-N 2.73Å; E333-N336 WeakPolarHBondContact O-CB 3.32Å; E333-N336 PolarHBondContact O-N 2.98Å; E333-N336 VanDerWaalsContact O-N 3.11Å; N336-K338 PolarHBondContact O-N 3Å; N336-K339 WeakPolarHBondContact O-CB 3.45Å; N336-K339 PolarHBondContact O-N 3.49Å; N336-K339 VanDerWaalsContact O-N 3.16Å; N336-Q340 WeakPolarHBondContact O-CG 2.95Å; N336-Q340 PolarHBondContact O-N 3.38Å; N336-Q340 PolarHBondContact OD1-NE2 2.88Å
337L95.8Very high94.3Very high100 Ų10098.1 Ų98.152%0.52451%0.511SS..Hα-helixtrans-62.1-39.3177-69.6171000112E333 N334 Q340 L341E333-L337 WeakPolarHBondContact O-CB 3.45Å; E333-L337 WeakPolarHBondContact O-CG 3.42Å; E333-L337 PolarHBondContact O-N 3.03Å; N334-L337 PolarHBondContact O-N 2.8Å; L337-Q340 PolarHBondContact O-N 2.89Å; L337-L341 WeakPolarHBondContact O-CB 3.26Å; L337-L341 PolarHBondContact O-N 2.79Å
338K95.9Very high93.8Very high151 Ų15198.3 Ų98.366%0.65751%0.512SS*.Hα-helixtrans-61-45.3171.9-77.3179.7179.1-171.60111.8N334 N336 Q340 L341 E342N334-K338 WeakPolarHBondContact O-CB 3.43Å; N334-K338 VanDerWaalsContact O-CG 3.3Å; N334-K338 WeakPolarHBondContact O-CG 3.5Å; N334-K338 PolarHBondContact O-N 3.03Å; N336-K338 PolarHBondContact O-N 3Å; K338-Q340 VanDerWaalsContact C-N 3.35Å; K338-Q340 PolarHBondContact O-N 2.88Å; K338-L341 PolarHBondContact O-N 3.25Å; K338-E342 WeakPolarHBondContact O-CB 3.5Å; K338-E342 PolarHBondContact O-N 3.32Å
339K94.7Very high93.1Very high151 Ų15194.2 Ų94.266%0.65750%0.5SS*.Hα-helixtrans-62.9-37174.7-72.4171.3-179.41790112.9G335 N336 G343G335-K339 WeakPolarHBondContact O-CG 3.21Å; G335-K339 PolarHBondContact O-N 3.3Å; G335-K339 VanDerWaalsContact O-N 3.14Å; N336-K339 WeakPolarHBondContact O-CB 3.45Å; N336-K339 PolarHBondContact O-N 3.49Å; N336-K339 VanDerWaalsContact O-N 3.16Å; K339-G343 PolarHBondContact O-N 3.27Å
340Q94.8Very high92.5Very high103 Ų10396.3 Ų96.348%0.48151%0.508SS..Hα-helixtrans-67.7-41.8174.1-70.6178.220.300111.7N336 L337 K338 G343 L344N336-Q340 WeakPolarHBondContact O-CG 2.95Å; N336-Q340 PolarHBondContact O-N 3.38Å; N336-Q340 PolarHBondContact OD1-NE2 2.88Å; L337-Q340 PolarHBondContact O-N 2.89Å; K338-Q340 VanDerWaalsContact C-N 3.35Å; K338-Q340 PolarHBondContact O-N 2.88Å; Q340-G343 PolarHBondContact O-N 3.43Å; Q340-L344 WeakPolarHBondContact O-CB 3.47Å; Q340-L344 WeakPolarHBondContact O-CG 3.4Å; Q340-L344 PolarHBondContact O-N 2.75Å
341L94.3Very high91.4Very high116 Ų11697.2 Ų97.261%0.60751%0.512SS*.Hα-helixtrans-62.9-44.4175.8-176.564.3000111.4L337 K338 L344 L345L337-L341 WeakPolarHBondContact O-CB 3.26Å; L337-L341 PolarHBondContact O-N 2.79Å; K338-L341 PolarHBondContact O-N 3.25Å; L341-L344 PolarHBondContact O-N 3.13Å; L341-L345 VanDerWaalsContact O-CB 3.22Å; L341-L345 WeakPolarHBondContact O-CB 3.26Å; L341-L345 PolarHBondContact O-N 2.86Å
342E93.9Very high90.4Very high134 Ų13497.2 Ų97.263%0.62651%0.512SS*.Hα-helixtrans-62.7-42.6173.6-173.3-175.3-178.500111.9K338 L344 L345 S346K338-E342 WeakPolarHBondContact O-CB 3.5Å; K338-E342 PolarHBondContact O-N 3.32Å; E342-L344 VanDerWaalsContact C-N 3.32Å; E342-L344 PolarHBondContact O-N 2.83Å; E342-L345 PolarHBondContact O-N 2.99Å; E342-S346 WeakPolarHBondContact O-CB 3.22Å; E342-S346 PolarHBondContact O-N 3.48Å; E342-S346 PolarHBondContact O-OG 2.8Å
343G93.1Very high89.2Confident26 Ų2696.4 Ų96.427%0.26851%0.511SS..Hα-helixtrans-62.5-34.9174.300000113.5K339 Q340 S346 Q347K339-G343 PolarHBondContact O-N 3.27Å; Q340-G343 PolarHBondContact O-N 3.43Å; G343-S346 WeakPolarHBondContact CA-OG 3.3Å; G343-S346 PolarHBondContact O-OG 3.41Å; G343-S346 VanDerWaalsContact O-OG 3.13Å; G343-Q347 WeakPolarHBondContact O-CB 3.34Å; G343-Q347 VanDerWaalsContact O-CG 3.24Å; G343-Q347 WeakPolarHBondContact O-CG 3.38Å; G343-Q347 PolarHBondContact O-N 2.78Å; G343-Q347 PolarHBondContact O-NE2 3.38Å
344L92.1Very high87.7Confident113 Ų11392.8 Ų92.859%0.59250%0.496SS*.Hα-helixtrans-78.5-36.5173.8-71.4172.7000112.3Q340 L341 E342 Q347 N348Q340-L344 WeakPolarHBondContact O-CB 3.47Å; Q340-L344 WeakPolarHBondContact O-CG 3.4Å; Q340-L344 PolarHBondContact O-N 2.75Å; L341-L344 PolarHBondContact O-N 3.13Å; E342-L344 VanDerWaalsContact C-N 3.32Å; E342-L344 PolarHBondContact O-N 2.83Å; L344-Q347 PolarHBondContact O-N 3.3Å; L344-N348 VanDerWaalsContact O-CB 3.26Å; L344-N348 WeakPolarHBondContact O-CB 3.35Å; L344-N348 PolarHBondContact O-N 3.37Å
345L89.1Confident86.1Confident115 Ų11589.9 Ų89.960%0.60249%0.485SS*.Hα-helixtrans-69.2-42.1178.4-170.2156.7000111.1L341 E342 N348 S349L341-L345 VanDerWaalsContact O-CB 3.22Å; L341-L345 WeakPolarHBondContact O-CB 3.26Å; L341-L345 PolarHBondContact O-N 2.86Å; E342-L345 PolarHBondContact O-N 2.99Å; L345-N348 CarbonylContact O-C 3.52Å; L345-N348 WeakPolarHBondContact O-CA 3.47Å; L345-N348 WeakPolarHBondContact O-CB 3.46Å; L345-N348 PolarHBondContact O-N 3.41Å; L345-N348 VanDerWaalsContact O-N 3.17Å; L345-S349 WeakPolarHBondContact O-CB 3.32Å; L345-S349 PolarHBondContact O-N 3.37Å
346S87.9Confident84.4Confident55 Ų5592.3 Ų92.339%0.38550%0.495SS..Hα-helixtrans-65.3-40.717355.10000112.2E342 G343 N348 S349 V350E342-S346 WeakPolarHBondContact O-CB 3.22Å; E342-S346 PolarHBondContact O-N 3.48Å; E342-S346 PolarHBondContact O-OG 2.8Å; G343-S346 WeakPolarHBondContact CA-OG 3.3Å; G343-S346 PolarHBondContact O-OG 3.41Å; G343-S346 VanDerWaalsContact O-OG 3.13Å; S346-N348 VanDerWaalsContact C-N 3.32Å; S346-N348 PolarHBondContact O-N 3.48Å; S346-S349 PolarHBondContact O-N 3.04Å; S346-S349 PolarHBondContact O-OG 3.11Å; S346-V350 WeakPolarHBondContact O-CB 3.24Å; S346-V350 WeakPolarHBondContact O-CG2 3.37Å; S346-V350 PolarHBondContact O-N 3.28Å
347Q87.8Confident82.8Confident117 Ų11795.4 Ų95.455%0.54750%0.504SS..Hα-helixtrans-60.9-41.1168.4-77.1174.165.900111.9G343 L344 V350 L351G343-Q347 WeakPolarHBondContact O-CB 3.34Å; G343-Q347 VanDerWaalsContact O-CG 3.24Å; G343-Q347 WeakPolarHBondContact O-CG 3.38Å; G343-Q347 PolarHBondContact O-N 2.78Å; G343-Q347 PolarHBondContact O-NE2 3.38Å; L344-Q347 PolarHBondContact O-N 3.3Å; Q347-V350 PolarHBondContact O-N 3.01Å; Q347-L351 VanDerWaalsContact O-CB 3.3Å; Q347-L351 WeakPolarHBondContact O-CB 3.36Å; Q347-L351 WeakPolarHBondContact O-CG 3.22Å; Q347-L351 PolarHBondContact O-N 3.42Å
348N84.4Confident81.4Confident76 Ų7698.3 Ų98.341%0.40651%0.508SS..Hα-helixtrans-66.3-37.4177.5-162-92.4000112.1L344 L345 S346 L351 K352L344-N348 VanDerWaalsContact O-CB 3.26Å; L344-N348 WeakPolarHBondContact O-CB 3.35Å; L344-N348 PolarHBondContact O-N 3.37Å; L345-N348 CarbonylContact O-C 3.52Å; L345-N348 WeakPolarHBondContact O-CA 3.47Å; L345-N348 WeakPolarHBondContact O-CB 3.46Å; L345-N348 PolarHBondContact O-N 3.41Å; L345-N348 VanDerWaalsContact O-N 3.17Å; S346-N348 VanDerWaalsContact C-N 3.32Å; S346-N348 PolarHBondContact O-N 3.48Å; N348-L351 PolarHBondContact O-N 3.09Å; N348-K352 VanDerWaalsContact O-CB 3.32Å; N348-K352 WeakPolarHBondContact O-CB 3.34Å; N348-K352 VanDerWaalsContact O-CG 3.31Å; N348-K352 WeakPolarHBondContact O-CG 3.26Å; N348-K352 PolarHBondContact O-N 3.44Å; N348-K352 WeakPolarHBondContact OD1-CD 3.21Å; N348-K352 WeakPolarHBondContact OD1-CE 3.36Å; N348-K352 PolarHBondContact OD1-NZ 2.73Å
349S83.2Confident80.2Confident59 Ų5999.8 Ų99.841%0.41351%0.51SS..Hα-helixtrans-71.7-40.7177.176.60000111.4L345 S346 K352 A353L345-S349 WeakPolarHBondContact O-CB 3.32Å; L345-S349 PolarHBondContact O-N 3.37Å; S346-S349 PolarHBondContact O-N 3.04Å; S346-S349 PolarHBondContact O-OG 3.11Å; S349-K352 PolarHBondContact O-N 3.16Å; S349-A353 VanDerWaalsContact O-CB 3.26Å; S349-A353 WeakPolarHBondContact O-CB 3.34Å; S349-A353 PolarHBondContact O-N 3.34Å
350V84Confident79.2Confident89 Ų8995 Ų9554%0.53950%0.498SS..Hα-helixtrans-62.8-41.9171170.60000111.2S346 Q347 A353 T354S346-V350 WeakPolarHBondContact O-CB 3.24Å; S346-V350 WeakPolarHBondContact O-CG2 3.37Å; S346-V350 PolarHBondContact O-N 3.28Å; Q347-V350 PolarHBondContact O-N 3.01Å; V350-A353 PolarHBondContact O-N 3.35Å; V350-T354 WeakPolarHBondContact O-CB 3.46Å; V350-T354 WeakPolarHBondContact O-CG2 3.38Å; V350-T354 PolarHBondContact O-N 3.46Å; V350-T354 PolarHBondContact O-OG1 3.13Å
351L73.3Confident78.4Confident97 Ų9795 Ų9551%0.50851%0.505SS..Hα-helixtrans-65.9-38.9174.6-74168.3000111.8Q347 N348 T354 A355Q347-L351 VanDerWaalsContact O-CB 3.3Å; Q347-L351 WeakPolarHBondContact O-CB 3.36Å; Q347-L351 WeakPolarHBondContact O-CG 3.22Å; Q347-L351 PolarHBondContact O-N 3.42Å; N348-L351 PolarHBondContact O-N 3.09Å; L351-T354 PolarHBondContact O-OG1 2.95Å; L351-A355 WeakPolarHBondContact O-CA 3.39Å; L351-A355 WeakPolarHBondContact O-CB 3.33Å; L351-A355 PolarHBondContact O-N 3.49Å
352K75.6Confident77.3Confident140 Ų14093.3 Ų93.361%0.60950%0.502SS*.Hα-helixtrans-68.7-39.7174-80.4168.41721590113N348 S349 A355 P356N348-K352 VanDerWaalsContact O-CB 3.32Å; N348-K352 WeakPolarHBondContact O-CB 3.34Å; N348-K352 VanDerWaalsContact O-CG 3.31Å; N348-K352 WeakPolarHBondContact O-CG 3.26Å; N348-K352 PolarHBondContact O-N 3.44Å; N348-K352 WeakPolarHBondContact OD1-CD 3.21Å; N348-K352 WeakPolarHBondContact OD1-CE 3.36Å; N348-K352 PolarHBondContact OD1-NZ 2.73Å; S349-K352 PolarHBondContact O-N 3.16Å; K352-A355 WeakPolarHBondContact O-CB 3.3Å; K352-A355 PolarHBondContact O-N 2.99Å; K352-P356 WeakPolarHBondContact O-CD 3.37Å
353A70.3Confident76.9Confident63 Ų6392.9 Ų92.952%0.52150%0.503SS..Hα-helixtrans-73.7-29.3177.700000112.6S349 V350S349-A353 VanDerWaalsContact O-CB 3.26Å; S349-A353 WeakPolarHBondContact O-CB 3.34Å; S349-A353 PolarHBondContact O-N 3.34Å; V350-A353 PolarHBondContact O-N 3.35Å
354T63.4Low76.2Confident38 Ų3897 Ų9723%0.23352%0.517CS..Hα-helixtrans-85.7-19.6170.758.80000113.2V350 L351 K357 R358V350-T354 WeakPolarHBondContact O-CB 3.46Å; V350-T354 WeakPolarHBondContact O-CG2 3.38Å; V350-T354 PolarHBondContact O-N 3.46Å; V350-T354 PolarHBondContact O-OG1 3.13Å; L351-T354 PolarHBondContact O-OG1 2.95Å; T354-K357 PolarHBondContact O-N 3.42Å; T354-R358 WeakPolarHBondContact O-CB 3.41Å; T354-R358 WeakPolarHBondContact O-CG 3.36Å; T354-R358 PolarHBondContact O-N 3.45Å
355A60.9Low75.8Confident27 Ų2794.5 Ų94.522%0.22351%0.512CS..Hα-helixtrans-55.4-48.5177.100000114.5L351 K352 K357 R358 R359L351-A355 WeakPolarHBondContact O-CA 3.39Å; L351-A355 WeakPolarHBondContact O-CB 3.33Å; L351-A355 PolarHBondContact O-N 3.49Å; K352-A355 WeakPolarHBondContact O-CB 3.3Å; K352-A355 PolarHBondContact O-N 2.99Å; A355-K357 VanDerWaalsContact C-N 3.32Å; A355-K357 PolarHBondContact O-N 3.12Å; A355-R358 PolarHBondContact O-N 3.29Å; A355-R359 VanDerWaalsContact O-CB 3.23Å; A355-R359 WeakPolarHBondContact O-CB 3.33Å; A355-R359 WeakPolarHBondContact O-CG 3.47Å; A355-R359 PolarHBondContact O-N 3.41Å
356P61.8Low75.6Confident80 Ų8093.6 Ų93.652%0.51951%0.511SS..Hα-helixtrans-65.3-37.7177.125.6-33.9000111.3K352 A360K352-P356 WeakPolarHBondContact O-CD 3.37Å; P356-A360 WeakPolarHBondContact O-CB 3.45Å; P356-A360 PolarHBondContact O-N 2.93Å
357K63.3Low75.4Confident154 Ų15495.3 Ų95.367%0.6752%0.516SS*.Hα-helixtrans-65.1-45.8177.1-63.6178.7180176.90111.5T354 A355 A360 V361T354-K357 PolarHBondContact O-N 3.42Å; A355-K357 VanDerWaalsContact C-N 3.32Å; A355-K357 PolarHBondContact O-N 3.12Å; K357-A360 PolarHBondContact O-N 2.8Å; K357-V361 WeakPolarHBondContact O-CB 3.41Å; K357-V361 VanDerWaalsContact O-CG2 3.3Å; K357-V361 WeakPolarHBondContact O-CG2 3.42Å; K357-V361 PolarHBondContact O-N 3.11Å
358R65.2Low75.2Confident161 Ų16193.6 Ų93.661%0.60851%0.513SS*.Hα-helixtrans-68.2-41.6176.5-70.5-178.9-178.5-171.32.4112T354 A355 V361 C362T354-R358 WeakPolarHBondContact O-CB 3.41Å; T354-R358 WeakPolarHBondContact O-CG 3.36Å; T354-R358 PolarHBondContact O-N 3.45Å; A355-R358 PolarHBondContact O-N 3.29Å; R358-V361 PolarHBondContact O-N 3.38Å; R358-C362 WeakPolarHBondContact O-CB 3.42Å; R358-C362 PolarHBondContact O-N 2.81Å; R358-C362 PolarHBondContact O-SG 3.18Å
359R71Confident75.1Confident182 Ų18296.7 Ų96.769%0.68752%0.523SS*.Hα-helixtrans-62.8-43.8174.2-73.5172.2-179.4-175.2-0111.4A355 C362 L363A355-R359 VanDerWaalsContact O-CB 3.23Å; A355-R359 WeakPolarHBondContact O-CB 3.33Å; A355-R359 WeakPolarHBondContact O-CG 3.47Å; A355-R359 PolarHBondContact O-N 3.41Å; R359-C362 PolarHBondContact O-N 3.08Å; R359-L363 WeakPolarHBondContact O-CB 3.23Å; R359-L363 VanDerWaalsContact O-CG 3.26Å; R359-L363 WeakPolarHBondContact O-CG 3.3Å; R359-L363 PolarHBondContact O-N 3.31Å
360A73.4Confident75Confident51 Ų5198.7 Ų98.742%0.42153%0.528SS..Hα-helixtrans-61.6-44.6173.600000111.8P356 K357 L363 M364P356-A360 WeakPolarHBondContact O-CB 3.45Å; P356-A360 PolarHBondContact O-N 2.93Å; K357-A360 PolarHBondContact O-N 2.8Å; A360-L363 PolarHBondContact O-N 3.5Å; A360-M364 VanDerWaalsContact O-CB 3.3Å; A360-M364 WeakPolarHBondContact O-CB 3.41Å; A360-M364 WeakPolarHBondContact O-CG 3.45Å; A360-M364 PolarHBondContact O-N 3.16Å
361V77.3Confident74.6Confident101 Ų10198.9 Ų98.961%0.61253%0.53SS*.Hα-helixtrans-63.2-42.2175.6167.90000112K357 R358 M364 A365K357-V361 WeakPolarHBondContact O-CB 3.41Å; K357-V361 VanDerWaalsContact O-CG2 3.3Å; K357-V361 WeakPolarHBondContact O-CG2 3.42Å; K357-V361 PolarHBondContact O-N 3.11Å; R358-V361 PolarHBondContact O-N 3.38Å; V361-M364 PolarHBondContact O-N 2.88Å; V361-A365 WeakPolarHBondContact O-CB 3.48Å; V361-A365 PolarHBondContact O-N 3.14Å
362C73.2Confident74.5Confident81 Ų81100.6 Ų100.655%0.54754%0.539SS..Hα-helixtrans-65-42.8175.1-700000112.3R358 R359 A365 V366R358-C362 WeakPolarHBondContact O-CB 3.42Å; R358-C362 PolarHBondContact O-N 2.81Å; R358-C362 PolarHBondContact O-SG 3.18Å; R359-C362 PolarHBondContact O-N 3.08Å; C362-A365 PolarHBondContact O-N 3.44Å; C362-V366 WeakPolarHBondContact O-CG2 3.42Å; C362-V366 PolarHBondContact O-N 2.89Å
363L83.6Confident74.2Confident125 Ų12599 Ų9965%0.65454%0.537SS*.Hα-helixtrans-66-39.2176.1-72.2170000111.7R359 A360 V366 L367R359-L363 WeakPolarHBondContact O-CB 3.23Å; R359-L363 VanDerWaalsContact O-CG 3.26Å; R359-L363 WeakPolarHBondContact O-CG 3.3Å; R359-L363 PolarHBondContact O-N 3.31Å; A360-L363 PolarHBondContact O-N 3.5Å; L363-V366 PolarHBondContact O-N 2.87Å; L363-L367 VanDerWaalsContact O-CB 3.22Å; L363-L367 WeakPolarHBondContact O-CB 3.31Å; L363-L367 PolarHBondContact O-N 3.18Å
364M79.8Confident74Confident114 Ų114101.3 Ų101.356%0.56254%0.544SS*.Hα-helixtrans-65.8-39.4173.1-74.2-65.9-68.500111.9A360 V361 L367 V368A360-M364 VanDerWaalsContact O-CB 3.3Å; A360-M364 WeakPolarHBondContact O-CB 3.41Å; A360-M364 WeakPolarHBondContact O-CG 3.45Å; A360-M364 PolarHBondContact O-N 3.16Å; V361-M364 PolarHBondContact O-N 2.88Å; M364-L367 PolarHBondContact O-N 2.81Å; M364-L367 HydrophobicContact SD-CD2 4.34Å; M364-V368 WeakPolarHBondContact O-CB 3.5Å; M364-V368 VanDerWaalsContact O-CG2 3.29Å; M364-V368 WeakPolarHBondContact O-CG2 3.43Å; M364-V368 PolarHBondContact O-N 3.45Å
365A83.8Confident73.3Confident59 Ų59101.1 Ų101.149%0.48855%0.549SS..Hα-helixtrans-65.2-43.317500000111.8V361 C362 V368 F369V361-A365 WeakPolarHBondContact O-CB 3.48Å; V361-A365 PolarHBondContact O-N 3.14Å; C362-A365 PolarHBondContact O-N 3.44Å; A365-V368 PolarHBondContact O-N 3.37Å; A365-F369 WeakPolarHBondContact O-CB 3.43Å; A365-F369 PolarHBondContact O-N 3.14Å
366V84.9Confident72.9Confident96 Ų96104.5 Ų104.558%0.58257%0.569SS**Hα-helixtrans-64.6-39.5173.6170.10000111.3C362 L363 F369 L370C362-V366 WeakPolarHBondContact O-CG2 3.42Å; C362-V366 PolarHBondContact O-N 2.89Å; L363-V366 PolarHBondContact O-N 2.87Å; V366-F369 PolarHBondContact O-N 3.49Å; V366-L370 VanDerWaalsContact O-CB 3.28Å; V366-L370 WeakPolarHBondContact O-CB 3.45Å; V366-L370 PolarHBondContact O-N 3.09Å
367L82.3Confident72.5Confident92 Ų92107.7 Ų107.748%0.48259%0.587SS.*Hα-helixtrans-66.2-43.8176.5-175.766.1000111.7L363 M364 L370 V371L363-L367 VanDerWaalsContact O-CB 3.22Å; L363-L367 WeakPolarHBondContact O-CB 3.31Å; L363-L367 PolarHBondContact O-N 3.18Å; M364-L367 PolarHBondContact O-N 2.81Å; M364-L367 HydrophobicContact SD-CD2 4.34Å; L367-L370 PolarHBondContact O-N 3.03Å; L367-V371 WeakPolarHBondContact O-CB 3.49Å; L367-V371 VanDerWaalsContact O-CG2 3.27Å; L367-V371 WeakPolarHBondContact O-CG2 3.44Å; L367-V371 PolarHBondContact O-N 2.95Å
368V83.9Confident71.8Confident80 Ų80105.1 Ų105.149%0.48559%0.589SS.*Hα-helixtrans-62.2-43.4173.7166.60000110.6M364 A365 V371 L372M364-V368 WeakPolarHBondContact O-CB 3.5Å; M364-V368 VanDerWaalsContact O-CG2 3.29Å; M364-V368 WeakPolarHBondContact O-CG2 3.43Å; M364-V368 PolarHBondContact O-N 3.45Å; A365-V368 PolarHBondContact O-N 3.37Å; V368-V371 PolarHBondContact O-N 2.91Å; V368-L372 HydrophobicContact CG1-CD1 3.8Å; V368-L372 HydrophobicContact CG1-CG 4.44Å; V368-L372 WeakPolarHBondContact O-CB 3.39Å; V368-L372 VanDerWaalsContact O-CG 3.26Å; V368-L372 WeakPolarHBondContact O-CG 3.44Å; V368-L372 PolarHBondContact O-N 3.13Å
369F82.3Confident71.2Confident141 Ų141104.3 Ų104.362%0.61860%0.596SS**Hα-helixtrans-62.6-43.7175.9-159.1-95.2000111.4A365 V366 L372 N373A365-F369 WeakPolarHBondContact O-CB 3.43Å; A365-F369 PolarHBondContact O-N 3.14Å; V366-F369 PolarHBondContact O-N 3.49Å; F369-L372 PolarHBondContact O-N 3.15Å; F369-N373 WeakPolarHBondContact CD1-ND2 3.27Å; F369-N373 VanDerWaalsContact CE1-ND2 3.33Å; F369-N373 WeakPolarHBondContact CE1-ND2 3.4Å; F369-N373 WeakPolarHBondContact O-CB 3.47Å; F369-N373 PolarHBondContact O-N 3.1Å; F369-N373 PolarHBondContact O-ND2 2.98Å
370L80.9Confident70.4Confident101 Ų101105.3 Ų105.353%0.52961%0.606SS.*Hα-helixtrans-64-44.1176.8-172.665.5000111.7V366 L367 L372 N373 V374V366-L370 VanDerWaalsContact O-CB 3.28Å; V366-L370 WeakPolarHBondContact O-CB 3.45Å; V366-L370 PolarHBondContact O-N 3.09Å; L367-L370 PolarHBondContact O-N 3.03Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L370-L372 PolarHBondContact O-N 3.41Å; L370-N373 CarbonylContact O-C 3.58Å; L370-N373 PolarHBondContact O-N 3.25Å; L370-V374 HydrophobicContact CD1-CG2 3.82Å; L370-V374 HydrophobicContact CG-CG2 4.25Å; L370-V374 VanDerWaalsContact O-CB 3.28Å; L370-V374 WeakPolarHBondContact O-CB 3.39Å; L370-V374 VanDerWaalsContact O-CG2 3.28Å; L370-V374 WeakPolarHBondContact O-CG2 3.29Å; L370-V374 PolarHBondContact O-N 2.89Å
371V76.4Confident68.8Low93 Ų93112 Ų11256%0.56463%0.628SS**Hα-helixtrans-63.7-38.3176.1168.70000111.6L367 V368 N373 G375L367-V371 WeakPolarHBondContact O-CB 3.49Å; L367-V371 VanDerWaalsContact O-CG2 3.27Å; L367-V371 WeakPolarHBondContact O-CG2 3.44Å; L367-V371 PolarHBondContact O-N 2.95Å; V368-V371 PolarHBondContact O-N 2.91Å; V371-N373 VanDerWaalsContact C-N 3.32Å; V371-N373 PolarHBondContact O-N 3.05Å; V371-G375 PolarHBondContact O-N 2.79Å
372L71.8Confident66.8Low133 Ų133118.9 Ų118.970%0.69664%0.643SS**Hα-helixtrans-71.4-23.7175.1-71169.7000113.6V368 F369 L370V368-L372 HydrophobicContact CG1-CD1 3.8Å; V368-L372 HydrophobicContact CG1-CG 4.44Å; V368-L372 WeakPolarHBondContact O-CB 3.39Å; V368-L372 VanDerWaalsContact O-CG 3.26Å; V368-L372 WeakPolarHBondContact O-CG 3.44Å; V368-L372 PolarHBondContact O-N 3.13Å; F369-L372 PolarHBondContact O-N 3.15Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L370-L372 PolarHBondContact O-N 3.41Å
373N68.8Low64.9Low108 Ų108118.2 Ų118.258%0.57865%0.65SS**Hα-helixtrans-95.1-15.7176.8-78.1-97.3000113.8F369 L370 V371F369-N373 WeakPolarHBondContact CD1-ND2 3.27Å; F369-N373 VanDerWaalsContact CE1-ND2 3.33Å; F369-N373 WeakPolarHBondContact CE1-ND2 3.4Å; F369-N373 WeakPolarHBondContact O-CB 3.47Å; F369-N373 PolarHBondContact O-N 3.1Å; F369-N373 PolarHBondContact O-ND2 2.98Å; L370-N373 CarbonylContact O-C 3.58Å; L370-N373 PolarHBondContact O-N 3.25Å; V371-N373 VanDerWaalsContact C-N 3.32Å; V371-N373 PolarHBondContact O-N 3.05Å
374V65.3Low62.5Low111 Ų111117.5 Ų117.567%0.67366%0.655SS**Hα-helixtrans-112.1-8.5-179.2-178.70000112L370L370-V374 HydrophobicContact CD1-CG2 3.82Å; L370-V374 HydrophobicContact CG-CG2 4.25Å; L370-V374 VanDerWaalsContact O-CB 3.28Å; L370-V374 WeakPolarHBondContact O-CB 3.39Å; L370-V374 VanDerWaalsContact O-CG2 3.28Å; L370-V374 WeakPolarHBondContact O-CG2 3.29Å; L370-V374 PolarHBondContact O-N 2.89Å
375G48.8Very low60.3Low33 Ų33118.6 Ų118.634%0.3467%0.668SS.*SBendtrans-65.5153.3165.300000112.8V371 T377V371-G375 PolarHBondContact O-N 2.79Å; G375-T377 PolarHBondContact O-N 2.87Å
376P52.6Low58.1Low98 Ų98120.4 Ų120.464%0.63668%0.677SS**  trans-80.7110-154.629.9-36.4000115.1S378P376-S378 PolarHBondContact O-N 3.2Å
377T53.2Low55.6Low147 Ų147122.8 Ų122.890%0.90269%0.686SS**G310 helixtrans-77.57.7163.649.40000113.7G375G375-T377 PolarHBondContact O-N 2.87Å
378S50Low53.2Low101 Ų101126.2 Ų126.271%0.70670%0.704SS**G310 helixtrans-92.2-2.1-169.956.30000116.2P376P376-S378 PolarHBondContact O-N 3.2Å
379L52.2Low50.6Low144 Ų144129 Ų12975%0.75472%0.717SS**G310 helixtrans-97.60.3-174.4-74175.7000115.7
380F53.7Low48.2Very low203 Ų203129.3 Ų129.389%0.8973%0.73SS**SBendtrans-12440.2-176.2-88.3-75.4000115.3
381Q40.9Very low46Very low192 Ų192128.3 Ų128.390%0.89774%0.736SS**  trans-149.5100.4158.9-129167.89.800114.1
382R35.6Very low44.4Very low245 Ų245129.2 Ų129.293%0.92574%0.744SS**  trans-136.6100166164.5152.5-89.4133.2-0.9109.4
383G33.1Very low42.5Very low66 Ų66130.5 Ų130.568%0.6875%0.748SS**  trans75164.5-176.500000113.4
384S32.6Very low41.1Very low111 Ų111133.9 Ų133.978%0.77676%0.76SS**  cis-164.8169.8-13.4-163.70000109.9
385V32.6Very low39.7Very low136 Ų136136.6 Ų136.682%0.82477%0.765SS**  trans73.4152168.4-1650000115.8
386S37.9Very low38.8Very low97 Ų97141.1 Ų141.168%0.67879%0.791SS**  trans-113.8177.1-167.8-36.60000113
387N32.7Very low37.8Very low146 Ų146139.1 Ų139.178%0.78179%0.789SS**  trans93.9135.4164.9-52.4-75.7000117.2
388L32.1Very low37.4Very low164 Ų164143.7 Ų143.786%0.85979%0.79SS**  trans61.1144.6164.9-9061.4000116.6
389D29.2Very low36.7Very low140 Ų140144.6 Ų144.675%0.74978%0.782SS**  cis-152.3119.5-9-17718.8000108.7
390V32.5Very low35.9Very low146 Ų146145.1 Ų145.189%0.88579%0.785SS**  trans-147.7102.7173.6-173.80000111
391A34.2Very low35.1Very low80 Ų80142.1 Ų142.166%0.66178%0.778SS**  trans-105.3167.5143.600000107.9
392P42.6Very low34.4Very low112 Ų112136.8 Ų136.873%0.72776%0.756SS**  cis-135.6-170.17.342.7-25.4000114.9
393M31.2Very low34.3Very low161 Ų161133.2 Ų133.279%0.79375%0.747SS**  trans63.892.3151.1-79.5170.5159.600120
394H39.9Very low34.4Very low178 Ų178135 Ų13582%0.82475%0.749SS**  -69.3140.6113.3-78.7-105.1000108.7
395H35.4Very low34.3Very low169 Ų169138 Ų13878%0.78275%0.751SS**  trans164.1140.7145.7-76.7-27.5000109.6
396S31.7Very low34.3Very low127 Ų127136 Ų13689%0.88874%0.743SS**  trans62161-179.6-128.60000114.9
397G30.5Very low34Very low57 Ų57138.2 Ų138.259%0.58875%0.747SS**  cis129.495.5-9.100000113.4
398R44.5Very low33.8Very low242 Ų242135.7 Ų135.791%0.91375%0.747SS**  trans68.3121.6166.1-47.9-178.386.1-170.74.4117.4
399H34.7Very low33.7Very low120 Ų120132.8 Ų132.856%0.55675%0.746SS**  78.4109.3118.6-172.9-84000122D402H399-D402 WeakPolarHBondContact CE1-CB 3.33Å; H399-D402 IonicContact CE1-OD2 2.65Å; H399-D402 PolarHBondContact CE1-OD2 3.07Å; H399-D402 WeakPolarHBondContact NE2-CB 3.15Å; H399-D402 IonicContact NE2-OD2 3.18Å; H399-D402 PolarHBondContact NE2-OD2 3.31Å
400L35.6Very low33.7Very low156 Ų156131 Ų13182%0.81775%0.751SS**  trans-152.3129.1152.2-98.2105.6000104.7
401L38.1Very low33.5Very low140 Ų140128.8 Ų128.873%0.73375%0.747SS**  cis-151.7148.65.8-76.7172.6000106.6
402D26.4Very low33.4Very low80 Ų80129.5 Ų129.543%0.42875%0.754SS.*  cis61.9124.31.6-139.825000115.8H399H399-D402 WeakPolarHBondContact CE1-CB 3.33Å; H399-D402 IonicContact CE1-OD2 2.65Å; H399-D402 PolarHBondContact CE1-OD2 3.07Å; H399-D402 WeakPolarHBondContact NE2-CB 3.15Å; H399-D402 IonicContact NE2-OD2 3.18Å; H399-D402 PolarHBondContact NE2-OD2 3.31Å
403F33.3Very low32.8Very low170 Ų170129.2 Ų129.275%0.74676%0.761SS**  cis-127.4-174.127.3-61-98.9000110.4
404S34.8Very low32.7Very low104 Ų104125.1 Ų125.173%0.72776%0.76SS**  cis-153.7176.620.6-149.90000108.1
405E30.2Very low33.3Very low174 Ų174122.2 Ų122.281%0.81376%0.757SS**  cis-165.6133.437.2-173.5161.6-179.100113.5
406S32.2Very low32.9Very low93 Ų93121.3 Ų121.365%0.6576%0.758SS**  trans62.6137.4140.8-1550000120.9
407D33Very low33Very low144 Ų144122.1 Ų122.177%0.7775%0.751SS**  cis-164.2176.6-13-121.3-59.5000114.7
408A28.1Very low32.8Very low93 Ų93124.7 Ų124.777%0.76976%0.756SS**  trans67.513215100000120.3
409A29.3Very low32Very low103 Ų103117.4 Ų117.485%0.85174%0.742SS**  trans-98.8154.717600000112.8
410A28.8Very low31.8Very low102 Ų102118 Ų11884%0.84375%0.754SS**  trans-154.2123.2148.200000113.3
411A29.4Very low32.2Very low99 Ų99115.7 Ų115.782%0.81875%0.749SS**  trans-4.6137.1158.300000121.3
412A31.5Very low31.7Very low96 Ų96113.8 Ų113.879%0.79375%0.747SS**  151.6130.79700000116
413A30.2Very low31.8Very low106 Ų106118.8 Ų118.888%0.87677%0.768SS**  trans59.7126.7142.100000123.5
414G29.1Very low31.8Very low75 Ų75116.9 Ų116.977%0.77377%0.77SS**  trans113.191.813600000118.4
415P52.3Low32.4Very low117 Ų117117.3 Ų117.376%0.7677%0.771SS**  trans-99.6158.4169.538.4-32.4000113.5
416D27Very low32.3Very low150 Ų150115.5 Ų115.580%0.80277%0.767SS**  trans-175.4157149.6-98.4-16.9000110.2
417L33.8Very low32.2Very low143 Ų143121.3 Ų121.375%0.74977%0.774SS**  -158.9138.1-54.3-111.1-179000108.2
418T26.9Very low32.1Very low111 Ų111119.5 Ų119.568%0.68177%0.773SS**  trans49.884.7145.9-48.40000122.3
419S27Very low32.5Very low89 Ų89122.6 Ų122.662%0.62277%0.771SS**  23.4137.5116.564.90000124.3
420T31.3Very low32.8Very low133 Ų133125.4 Ų125.482%0.81677%0.772SS**  trans69.5169.1142.4400000119
421P42.7Very low33.4Very low108 Ų108130.1 Ų130.170%0.70177%0.773SS**  cis-139168.216.145.9-28.1000120.4
422S28.2Very low33.7Very low100 Ų100129.7 Ų129.770%0.69977%0.77SS**  trans33.3134.7143.265.20000123.7
423E29.4Very low34.1Very low185 Ų185132.6 Ų132.686%0.86477%0.772SS**  -162.4172106.1-108.4176.8174.300112.3
424T32.7Very low34.3Very low129 Ų129136 Ų13679%0.79177%0.771SS**  trans-147.8178.7-175.569.40000109
425P47.7Very low34.7Very low114 Ų114138 Ų13874%0.7477%0.768SS**  cis-135.8-157.9-338.2-16.1000113.8
426D27.3Very low33.9Very low136 Ų136137.9 Ų137.973%0.72777%0.765SS**  trans94.3104.3146-126.322.8000122.1
427R30.6Very low34.3Very low214 Ų214139.9 Ų139.981%0.80877%0.767SS**  56.1107.2122.9-171.2-177.8-174.7168.22.4121.7
428S30.5Very low34.3Very low106 Ų106137.4 Ų137.474%0.74176%0.761SS**  -159.9145.1129.5-173.40000110
429E38Very low34.9Very low158 Ų158136.9 Ų136.974%0.73876%0.76SS**  trans-68.8148.8160.249.8-94.177.700112.3
430D33.7Very low35.4Very low162 Ų162140.1 Ų140.187%0.86677%0.77SS**  -163164.7117.8-145.5-19.6000112.3
431K41.4Very low35.8Very low201 Ų201142.7 Ų142.787%0.87477%0.771SS**  trans-111.2105.5-179.6-70.1178.8179175.70112
432A37.5Very low35.9Very low91 Ų91145.7 Ų145.775%0.75278%0.78SS**  trans-141.7122171.300000114.4
433L38.9Very low36.2Very low157 Ų157152 Ų15282%0.82279%0.788SS**  trans49.179.2148.1-55.9177.1000118.1V435L433-V435 PolarHBondContact O-N 3.13Å
434M34.9Very low37Very low176 Ų176148.3 Ų148.387%0.86778%0.78SS**  trans-66.682153.3-89.1-74.4-77.700110.4V436M434-V436 PolarHBondContact O-N 3.33Å; M434-V436 VanDerWaalsContact O-N 3.08Å
435V36.3Very low37.5Very low118 Ų118147.6 Ų147.672%0.71578%0.778SS**  trans-68.5100.5162.5176.40000107.1L433 K437L433-V435 PolarHBondContact O-N 3.13Å; V435-K437 VanDerWaalsContact C-N 3.32Å; V435-K437 PolarHBondContact O-N 2.97Å
436V37Very low37.7Very low115 Ų115147.2 Ų147.270%0.69778%0.775SS**  trans-66.793.9175.9178.90000108.6M434 S438M434-V436 PolarHBondContact O-N 3.33Å; M434-V436 VanDerWaalsContact O-N 3.08Å; V436-S438 PolarHBondContact O-N 3.48Å
437K33.9Very low38.7Very low192 Ų192147 Ų14784%0.83578%0.781SS**  trans-77.285.3177.3-174.1176.5-179.7178.10109.4V435V435-K437 VanDerWaalsContact C-N 3.32Å; V435-K437 PolarHBondContact O-N 2.97Å
438S33.8Very low39.6Very low90 Ų90142.5 Ų142.563%0.62978%0.781SS**  trans-54127.3172.4-540000110.8V436V436-S438 PolarHBondContact O-N 3.48Å
439P40.8Very low40.8Very low101 Ų101145.7 Ų145.766%0.65678%0.784SS**  trans-79.3134.8172.930.8-32.7000111.1F441P439-F441 HydrophobicContact CG-CE2 4.34Å; P439-F441 PolarHBondContact O-N 3.11Å
440D36.3Very low41.5Very low156 Ų156143.3 Ų143.383%0.83478%0.783SS**  trans-71.597.1-178.3-64.5-72.8000112.8
441F41.1Very low42.6Very low188 Ų188141.4 Ų141.483%0.82578%0.782SS**  trans-9698.4162.4-78-78.3000110.3P439 R443P439-F441 HydrophobicContact CG-CE2 4.34Å; P439-F441 PolarHBondContact O-N 3.11Å; F441-R443 VanDerWaalsContact C-N 3.28Å; F441-R443 PolarHBondContact O-N 3.29Å
442L43.8Very low43.4Very low171 Ų171136.3 Ų136.390%0.89577%0.768SS**  trans-67.280.5176-72.7170.8000111.7P444L442-P444 WeakPolarHBondContact O-CD 3.32Å
443R35.6Very low45.1Very low232 Ų232136.5 Ų136.588%0.87576%0.756SS**PPolyproline II helixtrans-73124167.5-166.7175.7-165.2144.93.9109F441F441-R443 VanDerWaalsContact C-N 3.28Å; F441-R443 PolarHBondContact O-N 3.29Å
444P44.3Very low46.8Very low108 Ų108138.8 Ų138.870%0.70175%0.754SS**PPolyproline II helixtrans-58138.4173-2434.3000110.7L442L442-P444 WeakPolarHBondContact O-CD 3.32Å
445P43.3Very low48.9Very low114 Ų114135.1 Ų135.174%0.7474%0.741SS**PPolyproline II helixtrans-65.5142.2175.228.1-34.1000110
446P51.8Low51Low105 Ų105136.4 Ų136.468%0.68274%0.737SS**PPolyproline II helixtrans-63.3144175.527.3-34.1000110.6C448P446-C448 PolarHBondContact O-N 2.88Å
447P48.7Very low53.1Low132 Ų132133.5 Ų133.586%0.85772%0.722SS**PPolyproline II helixtrans-61.2127179.625.6-33.8000110.3
448C49.8Very low55.5Low119 Ų119129.3 Ų129.380%0.80471%0.707SS**PPolyproline II helixtrans-80.6137-174.1-66.40000112.4P446P446-C448 PolarHBondContact O-N 2.88Å
449Q55.7Low58.1Low173 Ų173130.7 Ų130.781%0.80870%0.704SS**  trans73.8136.2167.6-54-169.2-23.700118.2
450P52.6Low60.5Low108 Ų108130.6 Ų130.670%0.70170%0.697SS**  trans-68.2156.5153.233.3-34.3000109.7V452P450-V452 VanDerWaalsContact C-N 3.28Å; P450-V452 PolarHBondContact O-N 3.37Å
451S57.2Low63.1Low123 Ų123124.7 Ų124.786%0.8667%0.67SS**  trans-71.577.2179.244.60000112.2N453S451-N453 PolarHBondContact O-N 2.92Å
452V59Low65.4Low94 Ų94121.9 Ų121.957%0.5766%0.659SS**  trans-56.1113.4178.2-161.50000108.9P450 R454 C457P450-V452 VanDerWaalsContact C-N 3.28Å; P450-V452 PolarHBondContact O-N 3.37Å; V452-R454 PolarHBondContact O-N 2.92Å; V452-C457 WeakPolarHBondContact CG1-SG 3.36Å
453N72.4Confident67.8Low95 Ų95119.9 Ų119.951%0.50865%0.645SS.*  trans-56.5116.3-167.1-177-34.6000110.2S451 T455 K456 C457S451-N453 PolarHBondContact O-N 2.92Å; N453-T455 PolarHBondContact O-N 2.67Å; N453-T455 WeakPolarHBondContact OD1-CB 3.26Å; N453-T455 PolarHBondContact OD1-N 3.33Å; N453-T455 VanDerWaalsContact OD1-N 3.11Å; N453-T455 PolarHBondContact OD1-OG1 3.15Å; N453-K456 PolarHBondContact O-N 3.43Å; N453-C457 PolarHBondContact O-N 3.25Å; N453-C457 VanDerWaalsContact O-N 3.11Å
454R73.8Confident70.6Confident205 Ų205113.4 Ų113.477%0.77463%0.628SS**Hα-helixtrans-52-33.3-172.3-172.3173.9179.7168.3-0.3112.7V452 I458V452-R454 PolarHBondContact O-N 2.92Å; R454-I458 HydrophobicContact CG-CD1 4.1Å; R454-I458 WeakPolarHBondContact O-CD1 3.48Å; R454-I458 VanDerWaalsContact O-CG1 3.26Å; R454-I458 WeakPolarHBondContact O-CG1 3.43Å; R454-I458 PolarHBondContact O-N 3.14Å; R454-I458 VanDerWaalsContact O-N 3.1Å
455T80.3Confident72.9Confident98 Ų98114.5 Ų114.560%0.60162%0.618SS**Hα-helixtrans-65.5-48.3176-48.90000111.7N453 C457 I458 E459N453-T455 PolarHBondContact O-N 2.67Å; N453-T455 WeakPolarHBondContact OD1-CB 3.26Å; N453-T455 PolarHBondContact OD1-N 3.33Å; N453-T455 VanDerWaalsContact OD1-N 3.11Å; N453-T455 PolarHBondContact OD1-OG1 3.15Å; T455-C457 VanDerWaalsContact C-N 3.33Å; T455-C457 PolarHBondContact O-N 2.81Å; T455-I458 PolarHBondContact O-N 2.99Å; T455-I458 VanDerWaalsContact O-N 3.15Å; T455-E459 WeakPolarHBondContact O-CB 3.34Å; T455-E459 PolarHBondContact O-N 3.32Å
456K79.5Confident75.2Confident145 Ų145110.3 Ų110.363%0.6360%0.595SS**Hα-helixtrans-63.3-36.6176.6-71.4-168.1173.3-172.20112.2N453 E459 L460N453-K456 PolarHBondContact O-N 3.43Å; K456-E459 PolarHBondContact O-N 3.37Å; K456-L460 WeakPolarHBondContact O-CB 3.43Å; K456-L460 PolarHBondContact O-N 3.13Å
457C81.8Confident77.2Confident55 Ų55112.1 Ų112.137%0.37259%0.588SS.*Hα-helixtrans-64-38.8173.8-67.30000112.5V452 N453 T455 A461V452-C457 WeakPolarHBondContact CG1-SG 3.36Å; N453-C457 PolarHBondContact O-N 3.25Å; N453-C457 VanDerWaalsContact O-N 3.11Å; T455-C457 VanDerWaalsContact C-N 3.33Å; T455-C457 PolarHBondContact O-N 2.81Å; C457-A461 WeakPolarHBondContact O-CB 3.33Å; C457-A461 PolarHBondContact O-N 2.93Å
458I83.3Confident79.4Confident103 Ų103109.8 Ų109.853%0.52857%0.571SS.*Hα-helixtrans-70.3-40.4177.6-71165.2000111R454 T455 A461 H462R454-I458 HydrophobicContact CG-CD1 4.1Å; R454-I458 WeakPolarHBondContact O-CD1 3.48Å; R454-I458 VanDerWaalsContact O-CG1 3.26Å; R454-I458 WeakPolarHBondContact O-CG1 3.43Å; R454-I458 PolarHBondContact O-N 3.14Å; R454-I458 VanDerWaalsContact O-N 3.1Å; T455-I458 PolarHBondContact O-N 2.99Å; T455-I458 VanDerWaalsContact O-N 3.15Å; I458-A461 PolarHBondContact O-N 3.45Å; I458-H462 WeakPolarHBondContact O-CB 3.42Å; I458-H462 PolarHBondContact O-N 3.23Å
459E88.6Confident81.2Confident119 Ų119110.3 Ų110.356%0.55656%0.562SS**Hα-helixtrans-61.7-56.3175.4-175.8170.8-145.900111.3T455 K456 A461 H462 E463T455-E459 WeakPolarHBondContact O-CB 3.34Å; T455-E459 PolarHBondContact O-N 3.32Å; K456-E459 PolarHBondContact O-N 3.37Å; E459-A461 VanDerWaalsContact C-N 3.3Å; E459-A461 PolarHBondContact O-N 3.11Å; E459-H462 CarbonylContact O-C 3.58Å; E459-H462 WeakPolarHBondContact O-CA 3.45Å; E459-H462 WeakPolarHBondContact O-CB 3.49Å; E459-H462 PolarHBondContact O-N 3.26Å; E459-E463 PolarHBondContact O-N 3.27Å
460L92.3Very high83Confident99 Ų99108.7 Ų108.752%0.51855%0.548SS..Hα-helixtrans-57-42.2175.3178.662.6000111.9K456 H462 E463 L464K456-L460 WeakPolarHBondContact O-CB 3.43Å; K456-L460 PolarHBondContact O-N 3.13Å; L460-H462 PolarHBondContact O-N 3.05Å; L460-E463 PolarHBondContact O-N 2.77Å; L460-L464 HydrophobicContact CD1-CD1 4.3Å; L460-L464 HydrophobicContact CD1-CG 4.28Å; L460-L464 HydrophobicContact CG-CD1 4.03Å; L460-L464 HydrophobicContact CG-CG 4.45Å; L460-L464 WeakPolarHBondContact O-CB 3.14Å; L460-L464 VanDerWaalsContact O-CG 3.29Å; L460-L464 WeakPolarHBondContact O-CG 3.26Å; L460-L464 PolarHBondContact O-N 3.41Å
461A90.6Very high84.6Confident32 Ų32107.4 Ų107.426%0.26453%0.533SS..Hα-helixtrans-66.4-26.9176.100000112.6C457 I458 E459 R465C457-A461 WeakPolarHBondContact O-CB 3.33Å; C457-A461 PolarHBondContact O-N 2.93Å; I458-A461 PolarHBondContact O-N 3.45Å; E459-A461 VanDerWaalsContact C-N 3.3Å; E459-A461 PolarHBondContact O-N 3.11Å; A461-R465 VanDerWaalsContact C-CZ 3.48Å; A461-R465 WeakPolarHBondContact O-CB 3.48Å; A461-R465 VanDerWaalsContact O-CG 3.27Å; A461-R465 WeakPolarHBondContact O-CG 3.27Å; A461-R465 PolarHBondContact O-N 3.14Å; A461-R465 VanDerWaalsContact O-N 3.12Å; A461-R465 PolarHBondContact O-NE 3.34Å; A461-R465 PolarHBondContact O-NH1 3.12Å
462H89.5Confident86.2Confident129 Ų129103.9 Ų103.960%0.59751%0.511SS*.Hα-helixtrans-75.4-42172.5-174.3-99.9000111.5I458 E459 L460 R465 G466I458-H462 WeakPolarHBondContact O-CB 3.42Å; I458-H462 PolarHBondContact O-N 3.23Å; E459-H462 CarbonylContact O-C 3.58Å; E459-H462 WeakPolarHBondContact O-CA 3.45Å; E459-H462 WeakPolarHBondContact O-CB 3.49Å; E459-H462 PolarHBondContact O-N 3.26Å; L460-H462 PolarHBondContact O-N 3.05Å; H462-R465 PolarHBondContact O-N 2.9Å; H462-G466 PolarHBondContact O-N 2.86Å
463E93.8Very high87.5Confident129 Ų129103.9 Ų103.960%0.60351%0.511SS*.Hα-helixtrans-61.4-44.8173.4-65.9-154.3124.200112.2E459 L460 G466 W467E459-E463 PolarHBondContact O-N 3.27Å; L460-E463 PolarHBondContact O-N 2.77Å; E463-G466 CarbonylContact O-C 3.53Å; E463-G466 WeakPolarHBondContact O-CA 3.34Å; E463-G466 PolarHBondContact O-N 3.18Å; E463-G466 VanDerWaalsContact O-N 3.14Å; E463-W467 WeakPolarHBondContact O-CB 3.29Å; E463-W467 PolarHBondContact O-N 2.9Å
464L93.9Very high87.9Confident97 Ų97104.7 Ų104.751%0.50851%0.512SS..Hα-helixtrans-61.7-43.9175-72.2170.3000111.9L460 G466 W467 V468L460-L464 HydrophobicContact CD1-CD1 4.3Å; L460-L464 HydrophobicContact CD1-CG 4.28Å; L460-L464 HydrophobicContact CG-CD1 4.03Å; L460-L464 HydrophobicContact CG-CG 4.45Å; L460-L464 WeakPolarHBondContact O-CB 3.14Å; L460-L464 VanDerWaalsContact O-CG 3.29Å; L460-L464 WeakPolarHBondContact O-CG 3.26Å; L460-L464 PolarHBondContact O-N 3.41Å; L464-G466 VanDerWaalsContact C-N 3.29Å; L464-G466 PolarHBondContact O-N 3.36Å; L464-W467 PolarHBondContact O-N 3.35Å; L464-V468 WeakPolarHBondContact O-CG2 3.43Å; L464-V468 PolarHBondContact O-N 2.92Å
465R92.7Very high88Confident131 Ų131100 Ų10049%0.49450%0.498SS..Hα-helixtrans-59.8-40.3172.5-79-176.2-61.6-89.2-0.2111.6A461 H462 H469A461-R465 VanDerWaalsContact C-CZ 3.48Å; A461-R465 WeakPolarHBondContact O-CB 3.48Å; A461-R465 VanDerWaalsContact O-CG 3.27Å; A461-R465 WeakPolarHBondContact O-CG 3.27Å; A461-R465 PolarHBondContact O-N 3.14Å; A461-R465 VanDerWaalsContact O-N 3.12Å; A461-R465 PolarHBondContact O-NE 3.34Å; A461-R465 PolarHBondContact O-NH1 3.12Å; H462-R465 PolarHBondContact O-N 2.9Å; R465-H469 PolarHBondContact O-N 2.96Å; R465-H469 VanDerWaalsContact O-N 3.13Å; R465-H469 PolarHBondContact O-ND1 3.01Å
466G92.8Very high87.6Confident25 Ų2598.9 Ų98.926%0.25849%0.492SS..Hα-helixtrans-66.8-39.9175.600000113.3H462 E463 L464 H469 R470H462-G466 PolarHBondContact O-N 2.86Å; E463-G466 CarbonylContact O-C 3.53Å; E463-G466 WeakPolarHBondContact O-CA 3.34Å; E463-G466 PolarHBondContact O-N 3.18Å; E463-G466 VanDerWaalsContact O-N 3.14Å; L464-G466 VanDerWaalsContact C-N 3.29Å; L464-G466 PolarHBondContact O-N 3.36Å; G466-H469 PolarHBondContact O-N 3.31Å; G466-R470 WeakPolarHBondContact O-CG 3.48Å; G466-R470 PolarHBondContact O-N 2.93Å; G466-R470 PolarHBondContact O-NH1 3.28Å
467W93.3Very high87.5Confident144 Ų14498.3 Ų98.355%0.54549%0.489SS..Hα-helixtrans-64.8-47.4176.4-175.995.7000111.3E463 L464 H469 R470 H471E463-W467 WeakPolarHBondContact O-CB 3.29Å; E463-W467 PolarHBondContact O-N 2.9Å; L464-W467 PolarHBondContact O-N 3.35Å; W467-H469 VanDerWaalsContact C-N 3.27Å; W467-H469 PolarHBondContact O-N 3.5Å; W467-R470 PolarHBondContact O-N 3.44Å; W467-R470 VanDerWaalsContact O-N 3.14Å; W467-H471 PolarHBondContact O-N 3.15Å
468V95.1Very high86.8Confident82 Ų8299.6 Ų99.650%0.49750%0.496SS..Hα-helixtrans-58.7-38.8175171.20000111.5L464 A472L464-V468 WeakPolarHBondContact O-CG2 3.43Å; L464-V468 PolarHBondContact O-N 2.92Å; V468-A472 VanDerWaalsContact O-CB 3.26Å; V468-A472 WeakPolarHBondContact O-CB 3.48Å; V468-A472 PolarHBondContact O-N 3.1Å
469H88Confident85.9Confident130 Ų130103.9 Ų103.960%0.60251%0.505SS*.Hα-helixtrans-67.7-41.7174.8-81.278.6000113.1R465 G466 W467 A472 V473R465-H469 PolarHBondContact O-N 2.96Å; R465-H469 VanDerWaalsContact O-N 3.13Å; R465-H469 PolarHBondContact O-ND1 3.01Å; G466-H469 PolarHBondContact O-N 3.31Å; W467-H469 VanDerWaalsContact C-N 3.27Å; W467-H469 PolarHBondContact O-N 3.5Å; H469-A472 PolarHBondContact O-N 2.89Å; H469-V473 WeakPolarHBondContact O-CB 3.4Å; H469-V473 VanDerWaalsContact O-CG2 3.31Å; H469-V473 WeakPolarHBondContact O-CG2 3.43Å; H469-V473 PolarHBondContact O-N 3.14Å
470R92Very high84.6Confident140 Ų140107.8 Ų107.853%0.52852%0.515SS..Hα-helixtrans-60.4-50.8174.8-70.9-172.4-58.2-90.39.5110.9G466 W467 A472 V473 E474G466-R470 WeakPolarHBondContact O-CG 3.48Å; G466-R470 PolarHBondContact O-N 2.93Å; G466-R470 PolarHBondContact O-NH1 3.28Å; W467-R470 PolarHBondContact O-N 3.44Å; W467-R470 VanDerWaalsContact O-N 3.14Å; R470-A472 VanDerWaalsContact C-N 3.34Å; R470-A472 PolarHBondContact O-N 2.84Å; R470-V473 PolarHBondContact O-N 3.34Å; R470-V473 VanDerWaalsContact O-N 3.11Å; R470-E474 WeakPolarHBondContact O-CG 3.32Å; R470-E474 PolarHBondContact O-N 3.5Å
471H86.8Confident82.8Confident80 Ų80108.8 Ų108.837%0.3752%0.518SS..Hα-helixtrans-60-41.4178.2-176.3-122.3000112.2W467 V473 E474 Q475W467-H471 PolarHBondContact O-N 3.15Å; H471-V473 PolarHBondContact O-N 3.21Å; H471-E474 PolarHBondContact O-N 2.86Å; H471-Q475 PolarHBondContact NE2-NE2 3.04Å; H471-Q475 WeakPolarHBondContact O-CB 3.45Å; H471-Q475 WeakPolarHBondContact O-CG 3.44Å; H471-Q475 PolarHBondContact O-N 2.7Å
472A90.1Very high80.9Confident49 Ų49110.9 Ų110.941%0.40553%0.531SS..Hα-helixtrans-65.7-35.9175.300000113.3V468 H469 R470 T476V468-A472 VanDerWaalsContact O-CB 3.26Å; V468-A472 WeakPolarHBondContact O-CB 3.48Å; V468-A472 PolarHBondContact O-N 3.1Å; H469-A472 PolarHBondContact O-N 2.89Å; R470-A472 VanDerWaalsContact C-N 3.34Å; R470-A472 PolarHBondContact O-N 2.84Å; A472-T476 WeakPolarHBondContact O-CB 3.4Å; A472-T476 WeakPolarHBondContact O-CG2 3.32Å; A472-T476 PolarHBondContact O-N 2.91Å; A472-T476 PolarHBondContact O-OG1 3.31Å
473V87.1Confident79.1Confident95 Ų95111.1 Ų111.158%0.57654%0.537SS*.Hα-helixtrans-68.8-38173.5168.90000111.1H469 R470 H471 T476 K477H469-V473 WeakPolarHBondContact O-CB 3.4Å; H469-V473 VanDerWaalsContact O-CG2 3.31Å; H469-V473 WeakPolarHBondContact O-CG2 3.43Å; H469-V473 PolarHBondContact O-N 3.14Å; R470-V473 PolarHBondContact O-N 3.34Å; R470-V473 VanDerWaalsContact O-N 3.11Å; H471-V473 PolarHBondContact O-N 3.21Å; V473-T476 WeakPolarHBondContact CA-OG1 3.45Å; V473-T476 PolarHBondContact O-N 2.9Å; V473-T476 PolarHBondContact O-OG1 2.9Å; V473-T476 VanDerWaalsContact O-OG1 3.13Å; V473-K477 VanDerWaalsContact O-CB 3.3Å; V473-K477 WeakPolarHBondContact O-CB 3.44Å; V473-K477 PolarHBondContact O-N 3.11Å
474E80.1Confident77Confident112 Ų112108.7 Ų108.752%0.52353%0.534SS..Hα-helixtrans-67.9-47.3176.4-73.8161.817100111.6R470 H471 T476 K477 T478R470-E474 WeakPolarHBondContact O-CG 3.32Å; R470-E474 PolarHBondContact O-N 3.5Å; H471-E474 PolarHBondContact O-N 2.86Å; E474-T476 VanDerWaalsContact C-N 3.29Å; E474-T476 PolarHBondContact O-N 2.92Å; E474-K477 WeakPolarHBondContact O-CA 3.3Å; E474-K477 WeakPolarHBondContact O-CB 3.44Å; E474-K477 PolarHBondContact O-N 3.01Å; E474-T478 PolarHBondContact O-N 3.11Å; E474-T478 PolarHBondContact O-OG1 3.42Å
475Q76.1Confident74.8Confident105 Ų105111.5 Ų111.549%0.49154%0.544SS..Hα-helixtrans-61.4-33.4174.9-69.2-70.5-6.600113H471 T478 R479H471-Q475 PolarHBondContact NE2-NE2 3.04Å; H471-Q475 WeakPolarHBondContact O-CB 3.45Å; H471-Q475 WeakPolarHBondContact O-CG 3.44Å; H471-Q475 PolarHBondContact O-N 2.7Å; Q475-T478 PolarHBondContact O-OG1 2.89Å; Q475-T478 VanDerWaalsContact O-OG1 3.11Å; Q475-R479 WeakPolarHBondContact O-CB 3.47Å; Q475-R479 PolarHBondContact O-N 3.21Å
476T72.6Confident72.4Confident75 Ų75113.2 Ų113.246%0.4656%0.557SS.*Hα-helixtrans-80.4-23.2173.852.10000113.2A472 V473 E474 R480A472-T476 WeakPolarHBondContact O-CB 3.4Å; A472-T476 WeakPolarHBondContact O-CG2 3.32Å; A472-T476 PolarHBondContact O-N 2.91Å; A472-T476 PolarHBondContact O-OG1 3.31Å; V473-T476 WeakPolarHBondContact CA-OG1 3.45Å; V473-T476 PolarHBondContact O-N 2.9Å; V473-T476 PolarHBondContact O-OG1 2.9Å; V473-T476 VanDerWaalsContact O-OG1 3.13Å; E474-T476 VanDerWaalsContact C-N 3.29Å; E474-T476 PolarHBondContact O-N 2.92Å; T476-R480 WeakPolarHBondContact O-CD 3.42Å; T476-R480 VanDerWaalsContact O-CG 3.23Å; T476-R480 WeakPolarHBondContact O-CG 3.38Å; T476-R480 PolarHBondContact O-N 3.03Å
477K78.3Confident69.8Low133 Ų133121.1 Ų121.158%0.57859%0.585SS**Hα-helixtrans-73.1-51171.2-176.7-174.2175.6-169.20111.6V473 E474 R479 R480 M481V473-K477 VanDerWaalsContact O-CB 3.3Å; V473-K477 WeakPolarHBondContact O-CB 3.44Å; V473-K477 PolarHBondContact O-N 3.11Å; E474-K477 WeakPolarHBondContact O-CA 3.3Å; E474-K477 WeakPolarHBondContact O-CB 3.44Å; E474-K477 PolarHBondContact O-N 3.01Å; K477-R479 PolarHBondContact O-N 3.14Å; K477-R480 PolarHBondContact O-N 2.98Å; K477-R480 VanDerWaalsContact O-N 3.09Å; K477-M481 HydrophobicContact CG-SD 4.44Å; K477-M481 PolarHBondContact O-N 3.2Å; K477-M481 VanDerWaalsContact O-N 3.15Å
478T65.4Low67.3Low82 Ų82120 Ų12050%0.50360%0.596SS.*Hα-helixtrans-57.3-47.5178.9530000111.3E474 Q475 R480 M481 S482E474-T478 PolarHBondContact O-N 3.11Å; E474-T478 PolarHBondContact O-OG1 3.42Å; Q475-T478 PolarHBondContact O-OG1 2.89Å; Q475-T478 VanDerWaalsContact O-OG1 3.11Å; T478-R480 VanDerWaalsContact C-N 3.26Å; T478-R480 PolarHBondContact O-N 2.74Å; T478-M481 PolarHBondContact O-N 3.45Å; T478-M481 VanDerWaalsContact O-N 3.1Å; T478-S482 PolarHBondContact O-N 2.89Å
479R65.6Low64.2Low193 Ų193123.8 Ų123.873%0.72861%0.612SS**Hα-helixtrans-59.7-31.4176.4-170.7175.6-179.6-167.70.6113.8Q475 K477Q475-R479 WeakPolarHBondContact O-CB 3.47Å; Q475-R479 PolarHBondContact O-N 3.21Å; K477-R479 PolarHBondContact O-N 3.14Å
480R60.7Low62Low201 Ų201128 Ų12876%0.75862%0.622SS**Hα-helixtrans-75-32.4175.6-77.1173-176.5-1702.9113T476 K477 T478T476-R480 WeakPolarHBondContact O-CD 3.42Å; T476-R480 VanDerWaalsContact O-CG 3.23Å; T476-R480 WeakPolarHBondContact O-CG 3.38Å; T476-R480 PolarHBondContact O-N 3.03Å; K477-R480 PolarHBondContact O-N 2.98Å; K477-R480 VanDerWaalsContact O-N 3.09Å; T478-R480 VanDerWaalsContact C-N 3.26Å; T478-R480 PolarHBondContact O-N 2.74Å
481M53.7Low59Low121 Ų121128.9 Ų128.960%0.59664%0.638SS**Hα-helixtrans-81.8-34.2179.6-59.8-169.977.800112.2K477 T478 N483 S484 H485K477-M481 HydrophobicContact CG-SD 4.44Å; K477-M481 PolarHBondContact O-N 3.2Å; K477-M481 VanDerWaalsContact O-N 3.15Å; T478-M481 PolarHBondContact O-N 3.45Å; T478-M481 VanDerWaalsContact O-N 3.1Å; M481-N483 VanDerWaalsContact C-N 3.31Å; M481-N483 PolarHBondContact O-N 3.43Å; M481-S484 PolarHBondContact O-N 3.33Å; M481-S484 PolarHBondContact O-OG 2.92Å; M481-H485 PolarHBondContact O-CD2 2.93Å
482S51.3Low56.4Low76 Ų76131.9 Ų131.953%0.53166%0.655SS.*Hα-helixtrans-55.9-43.9171.1168.60000112.3T478 S484T478-S482 PolarHBondContact O-N 2.89Å; S482-S484 PolarHBondContact O-N 2.88Å; S482-S484 VanDerWaalsContact O-N 3.14Å
483N52.6Low53.7Low133 Ų133136.5 Ų136.571%0.71167%0.672SS**THydrogen-bonded Turntrans-69.9-6.4-175.9-98.412.2000115.8M481M481-N483 VanDerWaalsContact C-N 3.31Å; M481-N483 PolarHBondContact O-N 3.43Å
484S49.1Very low51Low79 Ų79140.8 Ų140.855%0.55268%0.683SS**THydrogen-bonded Turntrans-89-12.4-179.755.80000115.2M481 S482M481-S484 PolarHBondContact O-N 3.33Å; M481-S484 PolarHBondContact O-OG 2.92Å; S482-S484 PolarHBondContact O-N 2.88Å; S482-S484 VanDerWaalsContact O-N 3.14Å
485H47.8Very low48.5Very low155 Ų155141.8 Ų141.872%0.71870%0.697SS**SBendtrans-93.5-4.7-168.2-77.1-82.1000116.1M481 K487M481-H485 PolarHBondContact O-CD2 2.93Å; H485-K487 PolarHBondContact O-N 2.88Å
486H42.4Very low46.4Very low167 Ų167143 Ų14377%0.77371%0.707SS**  trans-99.587.1178.3-66.9-59.1000113
487K37.8Very low44.4Very low191 Ų191147.5 Ų147.583%0.8372%0.72SS**  trans-123.1103.4159.7-74.5-175.9178.9177.40109.1H485 I489H485-K487 PolarHBondContact O-N 2.88Å; K487-I489 PolarHBondContact O-N 2.76Å
488P40.4Very low42.2Very low120 Ų120148.2 Ų148.278%0.77972%0.723SS**PPolyproline II helixtrans-75.7118.8178.629.6-32.4000110.5
489I30.8Very low40.5Very low163 Ų163150.8 Ų150.884%0.83673%0.729SS**PPolyproline II helixtrans-76.9126.7161-63.5174.7000106.8K487K487-I489 PolarHBondContact O-N 2.76Å
490R41.2Very low38.7Very low218 Ų218148.2 Ų148.282%0.82373%0.73SS**PPolyproline II helixtrans-102.4133.2165.4-73.1-179.9173.3176-3.3107.7
491D29Very low37.3Very low159 Ų159146.3 Ų146.385%0.8573%0.73SS**  trans-142.3159.2148.9-106.9-44.1000109.9
492I33.1Very low36.2Very low142 Ų142146.6 Ų146.673%0.72873%0.733SS**  trans-134.3124.2-157.9-61.6163000109.9
493L31.8Very low35.2Very low146 Ų146149.6 Ų149.676%0.76475%0.747SS**  trans-158.7119.6146.9-141.357.3000116.7
494K30.5Very low34.2Very low185 Ų185150.6 Ų150.680%0.80475%0.748SS**  trans58127.1146.1-69.4173.1-171.8176.20122.4
495T29.4Very low33.3Very low134 Ų134154.3 Ų154.382%0.82276%0.76SS**  trans-78.8159.3158.548.80000113.4
496D30.1Very low32.4Very low130 Ų130152.3 Ų152.370%0.69576%0.758SS**  -142.9179.9124.4-141.5-28000110.8
497K31.4Very low31.8Very low170 Ų170150.3 Ų150.374%0.73976%0.758SS**  trans-97.5-177.4-166.6-37.3127.6-166.41230111.7
498K32.4Very low31.4Very low147 Ų147146.7 Ų146.764%0.63975%0.751SS**  cis-165.7157.61.8-146.7164.3156.4-1070108.2
499E28.9Very low31Very low136 Ų136146.4 Ų146.464%0.63675%0.749SS**  trans63.6149.2158.9-77.3145.7169.900116.3
500D28.9Very low30.9Very low139 Ų139147.5 Ų147.574%0.74375%0.751SS**  cis-144.3171.99.9-105.7-39.8000113.2
501E30Very low30.4Very low161 Ų161140.2 Ų140.275%0.75274%0.743SS**  trans47.2134.9156-70.4-160122.100125.4
502I32.1Very low30.5Very low128 Ų128141.5 Ų141.566%0.65674%0.744SS**  trans49.3108.8142-52.9164.6000118.8Q504I502-Q504 HydrophobicContact CG2-CB 4.39Å
503V29.7Very low30.3Very low139 Ų139142.7 Ų142.784%0.84275%0.752SS**  trans-115.692152.7-1770000110I505V503-I505 PolarHBondContact O-N 3.13Å
504Q30.6Very low30.4Very low154 Ų154141.4 Ų141.472%0.7275%0.75SS**  trans-61.4123.3162.5173.6179.4-11.700109I502 V506I502-Q504 HydrophobicContact CG2-CB 4.39Å; Q504-V506 PolarHBondContact O-N 3.35Å; Q504-V506 VanDerWaalsContact O-N 3.12Å
505I31.2Very low31Very low157 Ų157140.9 Ų140.981%0.80575%0.751SS**  trans-70.3112175.8-62.4177.1000108.1V503 T507V503-I505 PolarHBondContact O-N 3.13Å; I505-T507 PolarHBondContact O-N 2.93Å; I505-T507 VanDerWaalsContact O-N 3.1Å
506V28.1Very low31.5Very low113 Ų113141 Ų14169%0.68574%0.742SS**  trans-73100.7-179.1179.10000109.9Q504 V508Q504-V506 PolarHBondContact O-N 3.35Å; Q504-V506 VanDerWaalsContact O-N 3.12Å; V506-V508 HydrophobicContact CG1-CG2 4.43Å; V506-V508 PolarHBondContact O-N 2.96Å
507T29.8Very low32.1Very low125 Ų125141.8 Ų141.877%0.76774%0.74SS**PPolyproline II helixtrans-67.7118.6149.9450000107.9I505 P509I505-T507 PolarHBondContact O-N 2.93Å; I505-T507 VanDerWaalsContact O-N 3.1Å; T507-P509 VanDerWaalsContact O-CD 3.27Å; T507-P509 WeakPolarHBondContact O-CD 3.5Å
508V29.5Very low32.5Very low114 Ų114140.1 Ų140.169%0.69174%0.739SS**PPolyproline II helixtrans-69.9119.3172.4175.70000108.7V506V506-V508 HydrophobicContact CG1-CG2 4.43Å; V506-V508 PolarHBondContact O-N 2.96Å
509P33.6Very low33.1Very low114 Ų114139 Ų13974%0.7475%0.75SS**PPolyproline II helixtrans-86.6119166.332.9-25.1000108.6T507T507-P509 VanDerWaalsContact O-CD 3.27Å; T507-P509 WeakPolarHBondContact O-CD 3.5Å
510H28.2Very low33.4Very low186 Ų186135.9 Ų135.986%0.86175%0.753SS**  trans-92.2103.2153.2-10338.9000106.9
511G29.2Very low34.5Very low65 Ų65135.6 Ų135.667%0.6776%0.762SS**  trans-89.8152.9161.500000109.2
512E32.5Very low35.3Very low186 Ų186136.8 Ų136.887%0.86977%0.768SS**  trans-55.7145.1165.3-59154.492.100110.3
513N28.4Very low36.2Very low168 Ų168138.1 Ų138.190%0.89878%0.775SS**  trans-171.3158.2140.9-100.4-64.2000110
514T34.6Very low37.4Very low118 Ų118139.8 Ų139.872%0.72477%0.774SS**  trans-97.2139.7-158.4-49.10000114.4
515E41.5Very low38.4Very low174 Ų174136.6 Ų136.681%0.81377%0.765SS**  trans74.4159.1154.4-89.1171.8-138.800123.5
516E40.5Very low38.9Very low137 Ų137139.8 Ų139.864%0.6477%0.768SS**  trans75.3100162.3-72.5-82.488.400121.9
517K42.2Very low39.7Very low147 Ų147142.7 Ų142.764%0.63977%0.768SS**  trans73.1109.1136.2-72-176.8176.573.90123
518N41.6Very low40.2Very low135 Ų135141 Ų14172%0.72277%0.767SS**  86.8105.3121.1-64.6-0.9000122.2
519S43.4Very low40.7Very low124 Ų124145.6 Ų145.687%0.86777%0.772SS**  77100.2124.8-54.30000119.7
520G36.3Very low41.6Very low69 Ų69146.1 Ų146.171%0.71176%0.764SS**  trans-160.229.3176.800000117.8
521S52.1Low42.9Very low134 Ų134144.4 Ų144.494%0.93776%0.757SS**  trans42.574.4170.562.90000116.8
522E46.9Very low44.5Very low186 Ų186145.2 Ų145.287%0.86975%0.748SS**  trans-109.2148.1165.4-167.6157.5-139.400110.5Q524E522-Q524 PolarHBondContact O-N 3.4Å
523L51.1Low46.4Very low155 Ų155142.7 Ų142.781%0.81273%0.732SS**  trans-73.298.9-179.1-178.471.4000109.2V525L523-V525 VanDerWaalsContact C-N 3.3Å; L523-V525 PolarHBondContact O-N 3.48Å
524Q53.2Low48.7Very low175 Ų175136.6 Ų136.682%0.81870%0.703SS**  trans-68.386.5179.5-164.7172.922.500110.8E522 Y526E522-Q524 PolarHBondContact O-N 3.4Å; Q524-Y526 PolarHBondContact O-N 3.19Å
525V52.1Low51Low86 Ų86136.2 Ų136.252%0.52170%0.696SS.*  trans-60.4128.6165.8177.50000107.4L523 Y527L523-V525 VanDerWaalsContact C-N 3.3Å; L523-V525 PolarHBondContact O-N 3.48Å; V525-Y527 HydrophobicContact CB-CD2 4.1Å; V525-Y527 HydrophobicContact CB-CE2 3.91Å; V525-Y527 HydrophobicContact CG1-CD2 4.1Å; V525-Y527 HydrophobicContact CG1-CE2 3.89Å; V525-Y527 PolarHBondContact O-N 3.07Å
526Y42.1Very low53Low225 Ų225131 Ų13188%0.88267%0.671SS**  trans-69.277.5177.5-82.4-101.7000110.9Q524 A528Q524-Y526 PolarHBondContact O-N 3.19Å; Y526-A528 VanDerWaalsContact C-N 3.3Å; Y526-A528 PolarHBondContact O-N 3.24Å
527Y44.5Very low55.1Low174 Ų174126.5 Ų126.568%0.68265%0.649SS**  trans-70.889.4162-75-77.8000108.4V525 R529V525-Y527 HydrophobicContact CB-CD2 4.1Å; V525-Y527 HydrophobicContact CB-CE2 3.91Å; V525-Y527 HydrophobicContact CG1-CD2 4.1Å; V525-Y527 HydrophobicContact CG1-CE2 3.89Å; V525-Y527 PolarHBondContact O-N 3.07Å; Y527-R529 PolarHBondContact O-N 3.42Å
528A39.9Very low57.1Low90 Ų90125 Ų12574%0.74465%0.648SS**THydrogen-bonded Turntrans-59.6120-176.700000111.7Y526 Q530Y526-A528 VanDerWaalsContact C-N 3.3Å; Y526-A528 PolarHBondContact O-N 3.24Å; A528-Q530 VanDerWaalsContact C-N 3.26Å; A528-Q530 PolarHBondContact O-N 2.83Å
529R41.7Very low59.2Low209 Ų209125.7 Ų125.779%0.78965%0.647SS**THydrogen-bonded Turntrans47.636.8158.9-129.6-179.8176.5162.1-1.5116.4Y527 H531 V532Y527-R529 PolarHBondContact O-N 3.42Å; R529-H531 PolarHBondContact O-N 2.9Å; R529-V532 HydrophobicContact CB-CG2 4.44Å; R529-V532 HydrophobicContact CG-CG2 3.78Å; R529-V532 PolarHBondContact O-N 2.99Å
530Q51.4Low61.2Low125 Ų125120.7 Ų120.758%0.58461%0.611SS**THydrogen-bonded Turntrans-61-19.4-172.9-149161.8-7.700114.2A528 Y533A528-Q530 VanDerWaalsContact C-N 3.26Å; A528-Q530 PolarHBondContact O-N 2.83Å; Q530-Y533 PolarHBondContact O-N 3.09Å
531H55.4Low63.5Low150 Ų150123.3 Ų123.369%0.69461%0.608SS**THydrogen-bonded Turntrans-68.7-25.7173.3-60-70.8000114.7R529 Y533 S534 D535R529-H531 PolarHBondContact O-N 2.9Å; H531-Y533 PolarHBondContact O-N 2.99Å; H531-Y533 VanDerWaalsContact O-N 3.09Å; H531-S534 WeakPolarHBondContact CA-OG 3.3Å; H531-S534 PolarHBondContact O-N 3.33Å; H531-S534 PolarHBondContact O-OG 3.49Å; H531-D535 VanDerWaalsContact O-OD1 3.13Å
532V62.1Low65.1Low82 Ų82120.3 Ų120.350%0.49758%0.576SS.*Hα-helixtrans-65.7-19.1178.4176.10000111.7R529R529-V532 HydrophobicContact CB-CG2 4.44Å; R529-V532 HydrophobicContact CG-CG2 3.78Å; R529-V532 PolarHBondContact O-N 2.99Å
533Y72.8Confident67Low133 Ų133117.8 Ų117.852%0.52256%0.559SS.*Hα-helixtrans-95.2-17.7176.8-65-74.2000114.4Q530 H531 F537Q530-Y533 PolarHBondContact O-N 3.09Å; H531-Y533 PolarHBondContact O-N 2.99Å; H531-Y533 VanDerWaalsContact O-N 3.09Å; Y533-F537 WeakPolarHBondContact O-CB 3.32Å; Y533-F537 WeakPolarHBondContact O-CD2 3.36Å; Y533-F537 WeakPolarHBondContact O-CG 3.49Å; Y533-F537 PolarHBondContact O-N 2.93Å; Y533-F537 VanDerWaalsContact O-N 3.11Å
534S77.8Confident68.6Low41 Ų41113.7 Ų113.729%0.28754%0.541SS..Hα-helixtrans-63.6-53.7174.235.80000110H531 F536 F537 D538H531-S534 WeakPolarHBondContact CA-OG 3.3Å; H531-S534 PolarHBondContact O-N 3.33Å; H531-S534 PolarHBondContact O-OG 3.49Å; S534-F536 PolarHBondContact O-N 3.48Å; S534-F537 CarbonylContact O-C 3.52Å; S534-F537 WeakPolarHBondContact O-CA 3.36Å; S534-F537 PolarHBondContact O-N 3.32Å; S534-D538 PolarHBondContact O-N 3.3Å
535D81.5Confident70.3Confident110 Ų110106.9 Ų106.959%0.58851%0.511SS*.Hα-helixtrans-60.8-39.6-171.9-46.96000109.9H531 E539H531-D535 VanDerWaalsContact O-OD1 3.13Å; D535-E539 WeakPolarHBondContact O-CB 3.29Å; D535-E539 PolarHBondContact O-N 2.91Å
536F84.4Confident72.1Confident63 Ų63103 Ų10328%0.27649%0.487SS..Hα-helixtrans-66.9-39.1171.3175.9-102.5000113.9S534 D538 L540 V550 F552 L557S534-F536 PolarHBondContact O-N 3.48Å; F536-D538 VanDerWaalsContact C-N 3.33Å; F536-L540 HydrophobicContact CE1-CD2 3.87Å; F536-L540 HydrophobicContact CZ-CD1 4.35Å; F536-L540 HydrophobicContact CZ-CD2 4.01Å; F536-L540 WeakPolarHBondContact O-CB 3.43Å; F536-L540 PolarHBondContact O-N 3.37Å; F536-V550 HydrophobicContact CZ-CG1 4.16Å; F536-V550 HydrophobicContact CZ-CG2 4.48Å; F536-F552 HydrophobicContact CE1-CZ 4.36Å; F536-F552 HydrophobicContact CE2-CE1 4.49Å; F536-F552 HydrophobicContact CE2-CZ 4.03Å; F536-F552 AromaticContact CZ-CZ 3.72Å; F536-F552 HydrophobicContact CZ-CZ 3.72Å; F536-L557 HydrophobicContact CE1-CD2 3.99Å
537F85.3Confident74.4Confident43 Ų4395.3 Ų95.319%0.18946%0.459CS..Hα-helixtrans-71-29.6177.4-63.8-25.6000113Y533 S534 N541 R542 L559Y533-F537 WeakPolarHBondContact O-CB 3.32Å; Y533-F537 WeakPolarHBondContact O-CD2 3.36Å; Y533-F537 WeakPolarHBondContact O-CG 3.49Å; Y533-F537 PolarHBondContact O-N 2.93Å; Y533-F537 VanDerWaalsContact O-N 3.11Å; S534-F537 CarbonylContact O-C 3.52Å; S534-F537 WeakPolarHBondContact O-CA 3.36Å; S534-F537 PolarHBondContact O-N 3.32Å; F537-N541 PolarHBondContact O-N 3.05Å; F537-R542 HydrophobicContact CB-CB 4.24Å; F537-R542 VanDerWaalsContact O-CB 3.32Å; F537-R542 WeakPolarHBondContact O-CB 3.21Å; F537-R542 PolarHBondContact O-N 3.45Å; F537-L559 HydrophobicContact CD1-CD1 3.74Å; F537-L559 HydrophobicContact CE1-CD1 3.51Å; F537-L559 HydrophobicContact CE1-CD2 3.56Å; F537-L559 HydrophobicContact CE1-CG 4.2Å; F537-L559 HydrophobicContact CZ-CD1 4.41Å; F537-L559 HydrophobicContact CZ-CD2 3.76Å
538D83.8Confident76.7Confident115 Ų11587.1 Ų87.162%0.61543%0.426SS*.Hα-helixtrans-76.6-43.3177.8-65.8-31.7000110.7S534 F536 L540 N541S534-D538 PolarHBondContact O-N 3.3Å; F536-D538 VanDerWaalsContact C-N 3.33Å; D538-L540 PolarHBondContact O-N 3.03Å; D538-N541 WeakPolarHBondContact O-CA 3.47Å; D538-N541 PolarHBondContact O-N 3.27Å; D538-N541 PolarHBondContact O-ND2 2.96Å
539E85.4Confident79.3Confident151 Ų15184.1 Ų84.171%0.70640%0.399SS*.Hα-helixtrans-61.8-41.5170.2-171.159.1-149.900111.5D535 N541D535-E539 WeakPolarHBondContact O-CB 3.29Å; D535-E539 PolarHBondContact O-N 2.91Å; E539-N541 PolarHBondContact O-N 3.38Å; E539-N541 PolarHBondContact O-ND2 3.36Å
540L85.1Confident81.7Confident19 Ų1974.2 Ų74.210%0.09936%0.362CS..THydrogen-bonded Turntrans-65-6.6171.1-167.466.7000113.3F536 D538 R542 Y548 V550 L559 V575F536-L540 HydrophobicContact CE1-CD2 3.87Å; F536-L540 HydrophobicContact CZ-CD1 4.35Å; F536-L540 HydrophobicContact CZ-CD2 4.01Å; F536-L540 WeakPolarHBondContact O-CB 3.43Å; F536-L540 PolarHBondContact O-N 3.37Å; D538-L540 PolarHBondContact O-N 3.03Å; L540-R542 VanDerWaalsContact C-N 3.27Å; L540-R542 PolarHBondContact O-N 3.23Å; L540-Y548 HydrophobicContact CD2-CD1 4.14Å; L540-Y548 HydrophobicContact CG-CD1 4.33Å; L540-Y548 HydrophobicContact CG-CE1 4.31Å; L540-V550 HydrophobicContact CD2-CG2 3.85Å; L540-L559 HydrophobicContact CD2-CD1 3.94Å; L540-V575 HydrophobicContact CD1-CG1 4.11Å; L540-V575 HydrophobicContact CD1-CG2 4.15Å
541N84.9Confident83.5Confident124 Ų12468.8 Ų68.866%0.66334%0.337SS*.THydrogen-bonded Turntrans50.646.8-179.2-79.8-105.7000111.7F537 D538 E539 R543 Y548F537-N541 PolarHBondContact O-N 3.05Å; D538-N541 WeakPolarHBondContact O-CA 3.47Å; D538-N541 PolarHBondContact O-N 3.27Å; D538-N541 PolarHBondContact O-ND2 2.96Å; E539-N541 PolarHBondContact O-N 3.38Å; E539-N541 PolarHBondContact O-ND2 3.36Å; N541-R543 PolarHBondContact O-N 2.98Å; N541-Y548 PolarHBondContact O-OH 2.87Å
542R86.1Confident84.8Confident70 Ų7064.9 Ų64.926%0.26432%0.319SS..  trans-61.5108.1-167.6-176.5-174173.2-174.7-4.1112.7F537 L540 Y548 P560F537-R542 HydrophobicContact CB-CB 4.24Å; F537-R542 VanDerWaalsContact O-CB 3.32Å; F537-R542 WeakPolarHBondContact O-CB 3.21Å; F537-R542 PolarHBondContact O-N 3.45Å; L540-R542 VanDerWaalsContact C-N 3.27Å; L540-R542 PolarHBondContact O-N 3.23Å; R542-Y548 HydrophobicContact CG-CD2 4.22Å; R542-Y548 HydrophobicContact CG-CE2 3.94Å; R542-P560 PolarHBondContact NH2-O 3.39Å
543R87Confident85.6Confident133 Ų13371.2 Ų71.250%0.50233%0.333SS..  trans-73.3135.9174.7-60.7177.1-172.1-95.3-0.4111.3N541 D545 T546 Y548N541-R543 PolarHBondContact O-N 2.98Å; R543-D545 VanDerWaalsContact C-N 3.29Å; R543-D545 PolarHBondContact O-N 2.91Å; R543-T546 PolarHBondContact O-N 3.38Å; R543-Y548 PolarHBondContact N-OH 3.34Å
544P84.9Confident85.5Confident69 Ų6974.5 Ų74.545%0.44835%0.345SS..THydrogen-bonded Turntrans-71.8-20.6-179.229.2-35.8000113.7A561 T562 N563P544-A561 CarbonylContact O-C 3.54Å; P544-T562 WeakPolarHBondContact CA-OG1 2.74Å; P544-T562 VanDerWaalsContact CB-OG1 3.22Å; P544-T562 WeakPolarHBondContact CB-OG1 3.44Å; P544-T562 PolarHBondContact O-N 3.39Å; P544-N563 HydrophobicContact CB-CB 4.27Å; P544-N563 PolarHBondContact O-N 2.95Å
545D87.6Confident85.7Confident32 Ų3278 Ų7817%0.17136%0.361CS..THydrogen-bonded Turntrans-96.27.9-178.872.2-41.9000114.5R543 N565 K571R543-D545 VanDerWaalsContact C-N 3.29Å; R543-D545 PolarHBondContact O-N 2.91Å; D545-N565 WeakPolarHBondContact CB-ND2 3.18Å; D545-K571 IonicContact OD1-NZ 3.99Å; D545-K571 WeakPolarHBondContact OD2-CE 3.35Å; D545-K571 IonicContact OD2-NZ 2.69Å; D545-K571 PolarHBondContact OD2-NZ 2.99Å
546T90.8Very high85.9Confident4 Ų479 Ų793%0.02536%0.361CS..EExtended strand (participates in β ladder)trans-121135.7-178.4-62.10000111.1R543 Y548 K571R543-T546 PolarHBondContact O-N 3.38Å; T546-Y548 HydrophobicContact CG2-CD2 3.96Å; T546-Y548 HydrophobicContact CG2-CE2 3.66Å; T546-Y548 WeakPolarHBondContact O-CD2 3.26Å; T546-K571 HydrophobicContact CG2-CB 4.14Å; T546-K571 WeakPolarHBondContact OG1-CB 3.32Å
547F91.1Very high86.1Confident65 Ų6578.4 Ų78.429%0.28536%0.361SS..EExtended strand (participates in β ladder)trans-85.2126.5168.3-176.6-83.5000109.6V549 L558 K571 M572 S573F547-V549 HydrophobicContact CD1-CG2 4.08Å; F547-V549 HydrophobicContact CE1-CG2 3.67Å; F547-L558 HydrophobicContact CE1-CD2 4.29Å; F547-L558 HydrophobicContact CZ-CB 4.29Å; F547-L558 HydrophobicContact CZ-CD2 4.37Å; F547-K571 PolarHBondContact N-O 3.07Å; F547-M572 HydrophobicContact CD1-CE 3.8Å; F547-M572 HydrophobicContact CD1-CG 4.25Å; F547-M572 HydrophobicContact CE1-CE 4.28Å; F547-M572 HydrophobicContact CG-CE 4.43Å; F547-M572 CarbonylContact O-C 3.57Å; F547-M572 VanDerWaalsContact O-CA 3.24Å; F547-M572 WeakPolarHBondContact O-CA 3.45Å; F547-S573 PolarHBondContact O-N 3Å
548Y92.7Very high86.4Confident1 Ų181.2 Ų81.20%0.00438%0.377CS..EExtended strand (participates in β ladder)trans-106.2136.7-180-67.5-111.3000111.9L540 N541 R542 R543 T546 L559 S573 V575L540-Y548 HydrophobicContact CD2-CD1 4.14Å; L540-Y548 HydrophobicContact CG-CD1 4.33Å; L540-Y548 HydrophobicContact CG-CE1 4.31Å; N541-Y548 PolarHBondContact O-OH 2.87Å; R542-Y548 HydrophobicContact CG-CD2 4.22Å; R542-Y548 HydrophobicContact CG-CE2 3.94Å; R543-Y548 PolarHBondContact N-OH 3.34Å; T546-Y548 HydrophobicContact CG2-CD2 3.96Å; T546-Y548 HydrophobicContact CG2-CE2 3.66Å; T546-Y548 WeakPolarHBondContact O-CD2 3.26Å; Y548-L559 PolarHBondContact N-O 2.96Å; Y548-L559 PolarHBondContact O-N 3.04Å; Y548-S573 CarbonylContact C-O 3.58Å; Y548-S573 WeakPolarHBondContact CA-O 3.49Å; Y548-V575 HydrophobicContact CD1-CG2 4.3Å
549V92.8Very high86.7Confident28 Ų2876.2 Ų76.217%0.1735%0.35CS..EExtended strand (participates in β ladder)trans-113.596.9167-178.40000107.7F547 L558 S573 V574 V575F547-V549 HydrophobicContact CD1-CG2 4.08Å; F547-V549 HydrophobicContact CE1-CG2 3.67Å; V549-L558 HydrophobicContact CB-CD2 4.29Å; V549-L558 HydrophobicContact CG1-CD2 4.01Å; V549-L558 HydrophobicContact CG2-CD2 3.86Å; V549-S573 PolarHBondContact N-O 2.81Å; V549-V574 HydrophobicContact CB-CG1 4.41Å; V549-V574 HydrophobicContact CB-CG2 4.42Å; V549-V574 WeakPolarHBondContact O-CA 3.36Å; V549-V575 PolarHBondContact O-N 2.96Å
550V92.1Very high86.8Confident1 Ų172.8 Ų72.81%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-94.3134.2174.1-168.80000108.6F536 L540 F552 H556 L557 V575 M594F536-V550 HydrophobicContact CZ-CG1 4.16Å; F536-V550 HydrophobicContact CZ-CG2 4.48Å; L540-V550 HydrophobicContact CD2-CG2 3.85Å; V550-F552 HydrophobicContact CB-CE2 4.3Å; V550-F552 HydrophobicContact CG1-CD2 4.35Å; V550-F552 HydrophobicContact CG1-CE1 4.07Å; V550-F552 HydrophobicContact CG1-CE2 3.66Å; V550-F552 HydrophobicContact CG1-CZ 3.52Å; V550-H556 CarbonylContact O-C 3.57Å; V550-H556 WeakPolarHBondContact O-CA 3.29Å; V550-L557 HydrophobicContact CB-CB 4.26Å; V550-L557 PolarHBondContact N-O 3.23Å; V550-L557 PolarHBondContact O-N 3.22Å; V550-V575 CarbonylContact C-O 3.59Å; V550-V575 WeakPolarHBondContact CA-O 3.22Å; V550-V575 HydrophobicContact CB-CB 4.47Å; V550-V575 HydrophobicContact CG1-CB 4.26Å; V550-V575 HydrophobicContact CG1-CG1 4.3Å; V550-V575 HydrophobicContact CG2-CB 4.22Å; V550-M594 HydrophobicContact CG1-CE 4.14Å
551S90.6Very high87Confident10 Ų1072.6 Ų72.67%0.0734%0.342CS..EExtended strand (participates in β ladder)trans-126.9111.2-177.1-50.20000112.2R553 D555 H556 V575 L576 P577S551-R553 PolarHBondContact O-N 2.88Å; S551-D555 CarbonylContact C-O 3.54Å; S551-D555 WeakPolarHBondContact CA-O 3.36Å; S551-H556 WeakPolarHBondContact CB-ND1 3.43Å; S551-H556 PolarHBondContact OG-ND1 2.89Å; S551-V575 PolarHBondContact N-O 2.87Å; S551-L576 WeakPolarHBondContact OG-CD2 3.48Å; S551-P577 VanDerWaalsContact O-CD 3.28Å; S551-P577 WeakPolarHBondContact O-CD 3.36Å
552F82.1Confident87Confident69 Ų6971.6 Ų71.630%0.30334%0.341SS..EExtended strand (participates in β ladder)trans-95.779.4179-58.4-77.5000110.2F536 V550 R554 D555 L557 M594F536-F552 HydrophobicContact CE1-CZ 4.36Å; F536-F552 HydrophobicContact CE2-CE1 4.49Å; F536-F552 HydrophobicContact CE2-CZ 4.03Å; F536-F552 AromaticContact CZ-CZ 3.72Å; F536-F552 HydrophobicContact CZ-CZ 3.72Å; V550-F552 HydrophobicContact CB-CE2 4.3Å; V550-F552 HydrophobicContact CG1-CD2 4.35Å; V550-F552 HydrophobicContact CG1-CE1 4.07Å; V550-F552 HydrophobicContact CG1-CE2 3.66Å; V550-F552 HydrophobicContact CG1-CZ 3.52Å; F552-R554 PolarHBondContact O-N 3.34Å; F552-D555 PolarHBondContact N-O 2.87Å; F552-D555 PolarHBondContact O-N 2.79Å; F552-L557 HydrophobicContact CE2-CB 4.22Å; F552-L557 HydrophobicContact CE2-CD2 4.19Å; F552-M594 HydrophobicContact CD1-CE 4.34Å; F552-M594 HydrophobicContact CE1-CE 4.28Å
553R78.7Confident86.8Confident215 Ų21572.1 Ų72.181%0.81135%0.349SS*.THydrogen-bonded Turntrans61-49.4-178.5-48.1-173.4-57.4172.5-0.5117.1S551S551-R553 PolarHBondContact O-N 2.88Å
554R71.7Confident86.3Confident202 Ų20272.4 Ų72.476%0.76236%0.356SS*.THydrogen-bonded Turntrans-133.4-24.6177.8-62.9-171.4-174.9118.61.7112.8F552F552-R554 PolarHBondContact O-N 3.34Å
555D80.5Confident86Confident115 Ų11572.6 Ų72.662%0.61535%0.353SS*.EExtended strand (participates in β ladder)trans-100.2133-172.6-53.9-62.6000110.4S551 F552S551-D555 CarbonylContact C-O 3.54Å; S551-D555 WeakPolarHBondContact CA-O 3.36Å; F552-D555 PolarHBondContact N-O 2.87Å; F552-D555 PolarHBondContact O-N 2.79Å
556H86.2Confident85.5Confident131 Ų13181.5 Ų81.561%0.60639%0.39SS*.EExtended strand (participates in β ladder)trans-114.6106.3-172.4-62.4-69.9000111.1V550 S551V550-H556 CarbonylContact O-C 3.57Å; V550-H556 WeakPolarHBondContact O-CA 3.29Å; S551-H556 WeakPolarHBondContact CB-ND1 3.43Å; S551-H556 PolarHBondContact OG-ND1 2.89Å
557L89.1Confident84.9Confident50 Ų5085.4 Ų85.426%0.26243%0.431SS..EExtended strand (participates in β ladder)trans-84.7115.1173.817563.6000109.7F536 V550 F552 L559F536-L557 HydrophobicContact CE1-CD2 3.99Å; V550-L557 HydrophobicContact CB-CB 4.26Å; V550-L557 PolarHBondContact N-O 3.23Å; V550-L557 PolarHBondContact O-N 3.22Å; F552-L557 HydrophobicContact CE2-CB 4.22Å; F552-L557 HydrophobicContact CE2-CD2 4.19Å; L557-L559 HydrophobicContact CD1-CD2 3.82Å; L557-L559 HydrophobicContact CD2-CD2 4.14Å; L557-L559 HydrophobicContact CG-CD2 3.83Å; L557-L559 HydrophobicContact CG-CG 4.19Å
558L90.7Very high84.4Confident102 Ų10285.2 Ų85.253%0.53444%0.438SS..EExtended strand (participates in β ladder)trans-102.2112.7179.5-60.2178.8000110.1F547 V549F547-L558 HydrophobicContact CE1-CD2 4.29Å; F547-L558 HydrophobicContact CZ-CB 4.29Å; F547-L558 HydrophobicContact CZ-CD2 4.37Å; V549-L558 HydrophobicContact CB-CD2 4.29Å; V549-L558 HydrophobicContact CG1-CD2 4.01Å; V549-L558 HydrophobicContact CG2-CD2 3.86Å
559L89.8Confident84Confident9 Ų991.5 Ų91.55%0.04746%0.462CS..EExtended strand (participates in β ladder)trans-105.1111.6178.2-50.8176.4000109.8F537 L540 Y548 L557F537-L559 HydrophobicContact CD1-CD1 3.74Å; F537-L559 HydrophobicContact CE1-CD1 3.51Å; F537-L559 HydrophobicContact CE1-CD2 3.56Å; F537-L559 HydrophobicContact CE1-CG 4.2Å; F537-L559 HydrophobicContact CZ-CD1 4.41Å; F537-L559 HydrophobicContact CZ-CD2 3.76Å; L540-L559 HydrophobicContact CD2-CD1 3.94Å; Y548-L559 PolarHBondContact N-O 2.96Å; Y548-L559 PolarHBondContact O-N 3.04Å; L557-L559 HydrophobicContact CD1-CD2 3.82Å; L557-L559 HydrophobicContact CD2-CD2 4.14Å; L557-L559 HydrophobicContact CG-CD2 3.83Å; L557-L559 HydrophobicContact CG-CG 4.19Å
560P89.6Confident83.8Confident80 Ų8093.8 Ų93.852%0.51948%0.477SS..  trans-66.8148.8176.727.7-33.8000111.4R542 T562R542-P560 PolarHBondContact NH2-O 3.39Å; P560-T562 PolarHBondContact O-N 3.47Å
561A87.7Confident83.7Confident15 Ų1597 Ų9712%0.12449%0.491CS..  trans-62128.1166.500000109P544 H564P544-A561 CarbonylContact O-C 3.54Å; A561-H564 PolarHBondContact O-CE1 3.39Å
562T84.8Confident83.8Confident103 Ų10399.7 Ų99.763%0.63250%0.503SS*.SBendtrans-82.3-24.4179.453.90000111.8P544 P560P544-T562 WeakPolarHBondContact CA-OG1 2.74Å; P544-T562 VanDerWaalsContact CB-OG1 3.22Å; P544-T562 WeakPolarHBondContact CB-OG1 3.44Å; P544-T562 PolarHBondContact O-N 3.39Å; P560-T562 PolarHBondContact O-N 3.47Å
563N81.9Confident84.3Confident80 Ų8096.4 Ų96.443%0.42849%0.489SS..  trans-122138.8176-171.35.2000111.1P544P544-N563 HydrophobicContact CB-CB 4.27Å; P544-N563 PolarHBondContact O-N 2.95Å
564H78.2Confident85Confident139 Ų13988 Ų8864%0.64446%0.461SS*.  trans-120.486.4-178.2-70.976.7000109.8A561 K566A561-H564 PolarHBondContact O-CE1 3.39Å; H564-K566 PolarHBondContact O-N 2.88Å
565N78.1Confident86Confident74 Ų7478.5 Ų78.540%0.39643%0.426SS..  trans-64101.3-179.7-73.9-40000111.3D545 G567 S568D545-N565 WeakPolarHBondContact CB-ND2 3.18Å; N565-G567 PolarHBondContact O-N 3.4Å; N565-S568 WeakPolarHBondContact CB-OG 3.32Å; N565-S568 PolarHBondContact O-N 3.01Å; N565-S568 VanDerWaalsContact O-N 3.16Å; N565-S568 PolarHBondContact O-OG 2.92Å
566K76.9Confident86.5Confident219 Ų21975.6 Ų75.695%0.95241%0.41SS*.THydrogen-bonded Turntrans-64.21.8-172.1-59-176.7-178176.50116.1H564H564-K566 PolarHBondContact O-N 2.88Å
567G77.2Confident86.6Confident86 Ų8671.8 Ų71.889%0.88740%0.397SS*.THydrogen-bonded Turntrans-121.2-6.617900000115.2N565N565-G567 PolarHBondContact O-N 3.4Å
568S82.2Confident86.4Confident61 Ų6171.1 Ų71.143%0.42740%0.398SS..SBendtrans-107.4164.1175.163.90000111N565N565-S568 WeakPolarHBondContact CB-OG 3.32Å; N565-S568 PolarHBondContact O-N 3.01Å; N565-S568 VanDerWaalsContact O-N 3.16Å; N565-S568 PolarHBondContact O-OG 2.92Å
569R84.3Confident85.5Confident133 Ų13374.4 Ų74.450%0.50241%0.413SS..PPolyproline II helixtrans-66.1145.8165.6-65.4-177.6-178.5-76.7-1.7109.2E600R569-E600 WeakPolarHBondContact CD-OE2 3.43Å
570P88.3Confident84.4Confident76 Ų7677.4 Ų77.449%0.49443%0.429SS..PPolyproline II helixtrans-62.4139.8170-16.429.7000109.6V601P570-V601 HydrophobicContact CB-CB 4.2Å; P570-V601 HydrophobicContact CB-CG2 4.41Å; P570-V601 WeakPolarHBondContact O-CB 3.23Å; P570-V601 WeakPolarHBondContact O-CG2 3.48Å; P570-V601 PolarHBondContact O-N 2.85Å
571K90.4Very high83.2Confident69 Ų6980.8 Ų80.830%0.344%0.441SS..EExtended strand (participates in β ladder)trans-101.6146174.9-64.4171.2-172.9163.50110.1D545 T546 F547 C599D545-K571 IonicContact OD1-NZ 3.99Å; D545-K571 WeakPolarHBondContact OD2-CE 3.35Å; D545-K571 IonicContact OD2-NZ 2.69Å; D545-K571 PolarHBondContact OD2-NZ 2.99Å; T546-K571 HydrophobicContact CG2-CB 4.14Å; T546-K571 WeakPolarHBondContact OG1-CB 3.32Å; F547-K571 PolarHBondContact N-O 3.07Å; K571-C599 WeakPolarHBondContact CA-O 3.38Å
572M91.6Very high81.8Confident66 Ų6684.8 Ų84.833%0.32546%0.46SS..EExtended strand (participates in β ladder)trans-131.7136172-178.4174.7-72.100108.7F547 V574 C599 V601F547-M572 HydrophobicContact CD1-CE 3.8Å; F547-M572 HydrophobicContact CD1-CG 4.25Å; F547-M572 HydrophobicContact CE1-CE 4.28Å; F547-M572 HydrophobicContact CG-CE 4.43Å; F547-M572 CarbonylContact O-C 3.57Å; F547-M572 VanDerWaalsContact O-CA 3.24Å; F547-M572 WeakPolarHBondContact O-CA 3.45Å; M572-V574 HydrophobicContact CG-CG2 4.45Å; M572-C599 PolarHBondContact N-O 3.39Å; M572-C599 WeakPolarHBondContact O-CA 3.42Å; M572-C599 WeakPolarHBondContact O-CB 3.46Å; M572-C599 PolarHBondContact O-N 3.43Å; M572-V601 HydrophobicContact CB-CG2 3.8Å
573S93.6Very high80.5Confident0 Ų087 Ų870%046%0.464CS..EExtended strand (participates in β ladder)trans-117.8136.9171.8-165.60000109.6F547 Y548 V549 Q596 I597 D598F547-S573 PolarHBondContact O-N 3Å; Y548-S573 CarbonylContact C-O 3.58Å; Y548-S573 WeakPolarHBondContact CA-O 3.49Å; V549-S573 PolarHBondContact N-O 2.81Å; S573-Q596 VanDerWaalsContact OG-CG 3.24Å; S573-Q596 WeakPolarHBondContact OG-CG 3.23Å; S573-Q596 PolarHBondContact OG-NE2 3.1Å; S573-I597 WeakPolarHBondContact CA-O 3.44Å; S573-D598 WeakPolarHBondContact CB-OD1 3.42Å; S573-D598 PolarHBondContact OG-OD1 2.86Å
574V93.1Very high79.3Confident38 Ų3887.8 Ų87.823%0.2348%0.476CS..EExtended strand (participates in β ladder)trans-118.2122.5178.2-1740000108.2V549 M572 L576 Q596 I597V549-V574 HydrophobicContact CB-CG1 4.41Å; V549-V574 HydrophobicContact CB-CG2 4.42Å; V549-V574 WeakPolarHBondContact O-CA 3.36Å; M572-V574 HydrophobicContact CG-CG2 4.45Å; V574-L576 HydrophobicContact CG1-CD1 4.25Å; V574-L576 HydrophobicContact CG1-CD2 3.94Å; V574-L576 HydrophobicContact CG1-CG 4.01Å; V574-Q596 CarbonylContact O-C 3.49Å; V574-I597 PolarHBondContact N-O 3.06Å; V574-I597 PolarHBondContact O-N 3.44Å
575V92.1Very high78.2Confident3 Ų387.4 Ų87.42%0.01848%0.477CS..EExtended strand (participates in β ladder)trans-122.2116.1-171.4-175.50000109L540 Y548 V549 V550 S551 M594 M595 Q596L540-V575 HydrophobicContact CD1-CG1 4.11Å; L540-V575 HydrophobicContact CD1-CG2 4.15Å; Y548-V575 HydrophobicContact CD1-CG2 4.3Å; V549-V575 PolarHBondContact O-N 2.96Å; V550-V575 CarbonylContact C-O 3.59Å; V550-V575 WeakPolarHBondContact CA-O 3.22Å; V550-V575 HydrophobicContact CB-CB 4.47Å; V550-V575 HydrophobicContact CG1-CB 4.26Å; V550-V575 HydrophobicContact CG1-CG1 4.3Å; V550-V575 HydrophobicContact CG2-CB 4.22Å; S551-V575 PolarHBondContact N-O 2.87Å; V575-M594 HydrophobicContact CG1-CB 3.8Å; V575-M594 HydrophobicContact CG1-CE 4.12Å; V575-M594 HydrophobicContact CG1-CG 4.35Å; V575-M595 WeakPolarHBondContact CA-O 3.39Å; V575-Q596 HydrophobicContact CG2-CB 4.19Å; V575-Q596 HydrophobicContact CG2-CG 4.02Å
576L91.4Very high77.2Confident54 Ų5487 Ų8728%0.28347%0.474SS..EExtended strand (participates in β ladder)trans-132.7154.1-170.2-52.3175.5000109.4S551 V574 A578 M594 M595S551-L576 WeakPolarHBondContact OG-CD2 3.48Å; V574-L576 HydrophobicContact CG1-CD1 4.25Å; V574-L576 HydrophobicContact CG1-CD2 3.94Å; V574-L576 HydrophobicContact CG1-CG 4.01Å; L576-A578 PolarHBondContact O-N 3.37Å; L576-M594 CarbonylContact O-C 3.55Å; L576-M594 WeakPolarHBondContact O-CA 3.44Å; L576-M595 HydrophobicContact CD1-CE 4.32Å; L576-M595 PolarHBondContact N-O 2.68Å; L576-M595 PolarHBondContact O-N 2.84Å
577P88.9Confident76Confident50 Ų5083.8 Ų83.833%0.32546%0.46SS..EExtended strand (participates in β ladder)trans-61.6129.8174.5-21.334.5000110S551 M579 M594S551-P577 VanDerWaalsContact O-CD 3.28Å; S551-P577 WeakPolarHBondContact O-CD 3.36Å; P577-M579 PolarHBondContact O-N 3.22Å; P577-M594 VanDerWaalsContact CA-SD 3.55Å; P577-M594 HydrophobicContact CB-SD 4.1Å; P577-M594 HydrophobicContact CG-CE 4.2Å; P577-M594 HydrophobicContact CG-SD 3.98Å
578A83.5Confident75Confident36 Ų3684.9 Ų84.930%0.29845%0.446SS..  trans-72.4127.9178.400000109.3L576 N580 V593 M595L576-A578 PolarHBondContact O-N 3.37Å; A578-N580 PolarHBondContact O-N 3.01Å; A578-N580 VanDerWaalsContact O-N 3.08Å; A578-V593 HydrophobicContact CB-CG1 3.99Å; A578-V593 VanDerWaalsContact CB-O 3.27Å; A578-V593 WeakPolarHBondContact CB-O 3.31Å; A578-V593 PolarHBondContact N-O 2.98Å; A578-M595 HydrophobicContact CB-CB 4.1Å
579M73.3Confident73.9Confident172 Ų17290.4 Ų90.485%0.84747%0.47SS*.  trans-6511316956.7-177.267.300108.8P577 I581P577-M579 PolarHBondContact O-N 3.22Å; M579-I581 PolarHBondContact O-N 2.93Å; M579-I581 VanDerWaalsContact O-N 3.14Å
580N65.9Low73.2Confident72 Ų7291.7 Ų91.739%0.38548%0.482SS..  trans-66.1116.4-173.5-172.1-7.2000110.5A578 N582A578-N580 PolarHBondContact O-N 3.01Å; A578-N580 VanDerWaalsContact O-N 3.08Å; N580-N582 VanDerWaalsContact C-N 3.34Å; N580-N582 PolarHBondContact ND2-O 3.09Å; N580-N582 PolarHBondContact OD1-N 3.25Å; N580-N582 PolarHBondContact OD1-O 3.49Å
581I63.3Low72.4Confident151 Ų15194.4 Ų94.477%0.77449%0.486SS*.SBendtrans-81.1-18.2-177.7-40.5170.9000111M579M579-I581 PolarHBondContact O-N 2.93Å; M579-I581 VanDerWaalsContact O-N 3.14Å
582N58.6Low71.9Confident98 Ų9896.7 Ų96.752%0.52450%0.498SS..  trans-146.8100.1177.4-70.5-72.5000111.5N580 S584 I585N580-N582 VanDerWaalsContact C-N 3.34Å; N580-N582 PolarHBondContact ND2-O 3.09Å; N580-N582 PolarHBondContact OD1-N 3.25Å; N580-N582 PolarHBondContact OD1-O 3.49Å; N582-S584 PolarHBondContact O-N 3.03Å; N582-I585 PolarHBondContact O-N 3.32Å
583E57.7Low71.5Confident151 Ų15196.7 Ų96.771%0.70650%0.502SS*.THydrogen-bonded Turntrans-63.110.1179.5-60.4-172.4-179.900115.8K587E583-K587 WeakPolarHBondContact O-CE 3.4Å
584S56.9Low71.1Confident96 Ų9699.4 Ų99.467%0.67152%0.515SS*.THydrogen-bonded Turntrans-105.9-11.8-175.754.30000115N582N582-S584 PolarHBondContact O-N 3.03Å
585I55.3Low70.9Confident131 Ų131101.7 Ų101.767%0.67252%0.524SS*.THydrogen-bonded Turntrans-110.7-22.1-173.7-62174.5000112.3N582N582-I585 PolarHBondContact O-N 3.32Å
586I56.6Low70.9Confident65 Ų65105.9 Ų105.933%0.33354%0.543SS..  trans-115.385.6-179-56.5152.6000107.2V593I586-V593 HydrophobicContact CD1-CB 4.32Å; I586-V593 HydrophobicContact CD1-CG1 4.47Å; I586-V593 HydrophobicContact CD1-CG2 3.8Å; I586-V593 HydrophobicContact CG1-CG2 3.99Å; I586-V593 HydrophobicContact CG2-CG2 3.71Å
587K51.6Low71Confident151 Ų151106.9 Ų106.966%0.65755%0.548SS*.  trans-135.918.4175.4-75.4-157.5166.9177.90113.7E583E583-K587 WeakPolarHBondContact O-CE 3.4Å
588D57.2Low71.2Confident110 Ų110108.8 Ų108.859%0.58856%0.556SS**  trans-84.8113.9164.7-51.4-48.8000106.3E590 F591D588-E590 PolarHBondContact O-N 3.35Å; D588-F591 HydrophobicContact CB-CD2 4.37Å; D588-F591 PolarHBondContact O-N 3.41Å
589N59.2Low71.5Confident176 Ų176109.9 Ų109.994%0.94156%0.561SS**THydrogen-bonded Turntrans-66.4-0.1-174.6-70.3-16.8000113.8
590E68.4Low72.3Confident161 Ų161107.6 Ų107.675%0.75255%0.548SS*.THydrogen-bonded Turntrans-90.6-18.2-172.8-169.6170.5-15400112.8D588D588-E590 PolarHBondContact O-N 3.35Å
591F72.4Confident73.5Confident132 Ų132105.9 Ų105.958%0.57954%0.54SS*.  trans-128.5112.1-172.3-60.1-80.3000113.8D588D588-F591 HydrophobicContact CB-CD2 4.37Å; D588-F591 PolarHBondContact O-N 3.41Å
592E78.4Confident74.7Confident117 Ų117103.8 Ų103.855%0.54753%0.534SS..  trans-81.7116.4166.8-173.6172.5-164.200110.3M594E592-M594 HydrophobicContact CG-SD 4.08Å; E592-M594 PolarHBondContact O-N 2.9Å
593V83.5Confident76Confident67 Ų67103.5 Ų103.541%0.40653%0.533SS..  trans-79.2109.9-177.8179.20000110.7A578 I586A578-V593 HydrophobicContact CB-CG1 3.99Å; A578-V593 VanDerWaalsContact CB-O 3.27Å; A578-V593 WeakPolarHBondContact CB-O 3.31Å; A578-V593 PolarHBondContact N-O 2.98Å; I586-V593 HydrophobicContact CD1-CB 4.32Å; I586-V593 HydrophobicContact CD1-CG1 4.47Å; I586-V593 HydrophobicContact CD1-CG2 3.8Å; I586-V593 HydrophobicContact CG1-CG2 3.99Å; I586-V593 HydrophobicContact CG2-CG2 3.71Å
594M86.6Confident77.3Confident56 Ų56101.7 Ų101.728%0.27653%0.532SS..EExtended strand (participates in β ladder)trans-98.2144.8178-57.9-64.1-8900112V550 F552 V575 L576 P577 E592V550-M594 HydrophobicContact CG1-CE 4.14Å; F552-M594 HydrophobicContact CD1-CE 4.34Å; F552-M594 HydrophobicContact CE1-CE 4.28Å; V575-M594 HydrophobicContact CG1-CB 3.8Å; V575-M594 HydrophobicContact CG1-CE 4.12Å; V575-M594 HydrophobicContact CG1-CG 4.35Å; L576-M594 CarbonylContact O-C 3.55Å; L576-M594 WeakPolarHBondContact O-CA 3.44Å; P577-M594 VanDerWaalsContact CA-SD 3.55Å; P577-M594 HydrophobicContact CB-SD 4.1Å; P577-M594 HydrophobicContact CG-CE 4.2Å; P577-M594 HydrophobicContact CG-SD 3.98Å; E592-M594 HydrophobicContact CG-SD 4.08Å; E592-M594 PolarHBondContact O-N 2.9Å
595M88.7Confident78.9Confident87 Ų87105.9 Ų105.943%0.42953%0.533SS..EExtended strand (participates in β ladder)trans-98.7119169.9175.7-178.962.400109.5V575 L576 A578 I597V575-M595 WeakPolarHBondContact CA-O 3.39Å; L576-M595 HydrophobicContact CD1-CE 4.32Å; L576-M595 PolarHBondContact N-O 2.68Å; L576-M595 PolarHBondContact O-N 2.84Å; A578-M595 HydrophobicContact CB-CB 4.1Å; M595-I597 HydrophobicContact CE-CD1 4.04Å; M595-I597 HydrophobicContact CG-CG1 4.34Å; M595-I597 HydrophobicContact SD-CD1 4.47Å
596Q92.1Very high80.5Confident90 Ų90107.1 Ų107.142%0.42154%0.54SS..EExtended strand (participates in β ladder)trans-97.8135174.4179.3174-19.900111.4S573 V574 V575 D598S573-Q596 VanDerWaalsContact OG-CG 3.24Å; S573-Q596 WeakPolarHBondContact OG-CG 3.23Å; S573-Q596 PolarHBondContact OG-NE2 3.1Å; V574-Q596 CarbonylContact O-C 3.49Å; V575-Q596 HydrophobicContact CG2-CB 4.19Å; V575-Q596 HydrophobicContact CG2-CG 4.02Å; Q596-D598 PolarHBondContact NE2-OD1 3.47Å; Q596-D598 PolarHBondContact NE2-OD2 3.04Å
597I92.3Very high82.2Confident75 Ų75110.3 Ų110.339%0.38556%0.557SS.*EExtended strand (participates in β ladder)trans-125.8103.4177.4-52.8176.9000109.1S573 V574 M595S573-I597 WeakPolarHBondContact CA-O 3.44Å; V574-I597 PolarHBondContact N-O 3.06Å; V574-I597 PolarHBondContact O-N 3.44Å; M595-I597 HydrophobicContact CE-CD1 4.04Å; M595-I597 HydrophobicContact CG-CG1 4.34Å; M595-I597 HydrophobicContact SD-CD1 4.47Å
598D92.8Very high84Confident91 Ų91111.7 Ų111.749%0.48757%0.565SS.*EExtended strand (participates in β ladder)trans-85.9129.2176.9-75.2-2.8000111.7S573 Q596S573-D598 WeakPolarHBondContact CB-OD1 3.42Å; S573-D598 PolarHBondContact OG-OD1 2.86Å; Q596-D598 PolarHBondContact NE2-OD1 3.47Å; Q596-D598 PolarHBondContact NE2-OD2 3.04Å
599C90.3Very high85.7Confident59 Ų59112 Ų11240%0.39957%0.566SS.*EExtended strand (participates in β ladder)trans-131.5139.9-173.7-67.70000111.9K571 M572K571-C599 WeakPolarHBondContact CA-O 3.38Å; M572-C599 PolarHBondContact N-O 3.39Å; M572-C599 WeakPolarHBondContact O-CA 3.42Å; M572-C599 WeakPolarHBondContact O-CB 3.46Å; M572-C599 PolarHBondContact O-N 3.43Å
600E91.2Very high87.2Confident124 Ų124113 Ų11358%0.57956%0.556SS**EExtended strand (participates in β ladder)trans-87.6127.4162.9-68.1-161.815700110.8R569 T602R569-E600 WeakPolarHBondContact CD-OE2 3.43Å; E600-T602 PolarHBondContact O-N 3.4Å
601V89.6Confident88.1Confident35 Ų35109.6 Ų109.621%0.21255%0.55CS.*  trans-81.9113178.3-170.60000109.4P570 M572 T604P570-V601 HydrophobicContact CB-CB 4.2Å; P570-V601 HydrophobicContact CB-CG2 4.41Å; P570-V601 WeakPolarHBondContact O-CB 3.23Å; P570-V601 WeakPolarHBondContact O-CG2 3.48Å; P570-V601 PolarHBondContact O-N 2.85Å; M572-V601 HydrophobicContact CB-CG2 3.8Å; V601-T604 HydrophobicContact CG1-CG2 3.47Å; V601-T604 VanDerWaalsContact CG1-CG2 3.47Å
602T89.1Confident88.8Confident107 Ų107108 Ų10866%0.65656%0.556SS**  trans-95.6-30.7-173.850.40000114.3E600E600-T602 PolarHBondContact O-N 3.4Å
603D85.8Confident89.4Confident92 Ų92106.2 Ų106.249%0.49256%0.556SS.*  trans-144113.3-174.9-173.1-4000110.1R605D603-R605 VanDerWaalsContact CG-NE 3.31Å; D603-R605 VanDerWaalsContact OD1-CG 3.23Å; D603-R605 WeakPolarHBondContact OD1-CG 3.32Å; D603-R605 IonicContact OD1-CZ 3.3Å; D603-R605 IonicContact OD1-NE 3.56Å; D603-R605 PolarHBondContact OD1-NE 2.88Å; D603-R605 IonicContact OD1-NH2 3.09Å; D603-R605 IonicContact OD2-CZ 3.82Å; D603-R605 IonicContact OD2-NE 2.91Å; D603-R605 PolarHBondContact OD2-NE 3.17Å; D603-R605 IonicContact OD2-NH2 3.84Å; D603-R605 PolarHBondContact OD2-NH2 3.11Å
604T86.5Confident89.7Confident113 Ų113105.6 Ų105.669%0.69355%0.55SS*.  trans-110.3120.617848.70000110.3V601V601-T604 HydrophobicContact CG1-CG2 3.47Å; V601-T604 VanDerWaalsContact CG1-CG2 3.47Å
605R89.3Confident89.8Confident184 Ų184106.2 Ų106.269%0.69456%0.558SS**  trans-131130.5-178.6-54-170.2-171.5-171.76.6111.4D603 L607D603-R605 VanDerWaalsContact CG-NE 3.31Å; D603-R605 VanDerWaalsContact OD1-CG 3.23Å; D603-R605 WeakPolarHBondContact OD1-CG 3.32Å; D603-R605 IonicContact OD1-CZ 3.3Å; D603-R605 IonicContact OD1-NE 3.56Å; D603-R605 PolarHBondContact OD1-NE 2.88Å; D603-R605 IonicContact OD1-NH2 3.09Å; D603-R605 IonicContact OD2-CZ 3.82Å; D603-R605 IonicContact OD2-NE 2.91Å; D603-R605 PolarHBondContact OD2-NE 3.17Å; D603-R605 IonicContact OD2-NH2 3.84Å; D603-R605 PolarHBondContact OD2-NH2 3.11Å; R605-L607 HydrophobicContact CB-CD2 4.42Å
606I88.5Confident89.3Confident157 Ų157106.5 Ų106.581%0.80557%0.566SS**  trans-78.3120.6171.2-59.7173.9000107.9
607L91.9Very high88.4Confident132 Ų132110.3 Ų110.369%0.69159%0.588SS**  trans-111.5123.2-178.4-61.3-179.9000110.7R605 I609R605-L607 HydrophobicContact CB-CD2 4.42Å; L607-I609 PolarHBondContact O-N 2.71Å
608H91.4Very high87.6Confident181 Ų181112.8 Ų112.884%0.83860%0.602SS**  trans-89.685.8176.2-63.8165.9000110.9
609I90.9Very high86.9Confident116 Ų116113.6 Ų113.660%0.59560%0.598SS**  trans-78.5138.9174.7-58.1175.8000109.4L607 I614L607-I609 PolarHBondContact O-N 2.71Å; I609-I614 HydrophobicContact CG2-CG1 3.99Å
610R91.8Very high86Confident196 Ų196117.1 Ų117.174%0.7462%0.617SS**  trans-74.5130.3175-63.4178.9178.2-179.4-1109.7S612 S613 I614R610-S612 PolarHBondContact O-N 3Å; R610-S612 VanDerWaalsContact O-N 3.08Å; R610-S613 PolarHBondContact O-N 2.92Å; R610-S613 PolarHBondContact O-OG 3.48Å; R610-I614 PolarHBondContact O-N 3.47Å
611S87.2Confident84.2Confident91 Ų91117.9 Ų117.964%0.63663%0.626SS**G310 helixtrans-57.5-28.4179.6-35.30000113.4S613 I614 R619S611-S613 VanDerWaalsContact C-N 3.35Å; S611-I614 PolarHBondContact O-N 2.86Å; S611-R619 PolarHBondContact O-NE 3.18Å
612S87.1Confident82.1Confident99 Ų99125 Ų12569%0.69266%0.656SS**G310 helixtrans-71.1-23.5174.954.60000114.5R610R610-S612 PolarHBondContact O-N 3Å; R610-S612 VanDerWaalsContact O-N 3.08Å
613S91.3Very high79.9Confident78 Ų78125.1 Ų125.155%0.54566%0.657SS.*G310 helixtrans-87.8-9.2173.344.40000113.9R610 S611R610-S613 PolarHBondContact O-N 2.92Å; R610-S613 PolarHBondContact O-OG 3.48Å; S611-S613 VanDerWaalsContact C-N 3.35Å
614I89.9Confident77.7Confident55 Ų55128 Ų12828%0.28267%0.673SS.*SBendtrans-75128.3171.1-56178.1000107.8I609 R610 S611 L618 R619I609-I614 HydrophobicContact CG2-CG1 3.99Å; R610-I614 PolarHBondContact O-N 3.47Å; S611-I614 PolarHBondContact O-N 2.86Å; I614-L618 HydrophobicContact CG2-CB 4Å; I614-R619 HydrophobicContact CB-CG 4.08Å; I614-R619 HydrophobicContact CG2-CG 3.81Å; I614-R619 VanDerWaalsContact O-CZ 3.28Å; I614-R619 PolarHBondContact O-NE 3.33Å; I614-R619 PolarHBondContact O-NH2 2.96Å
615P87.3Confident75.1Confident69 Ų69128.7 Ų128.745%0.44868%0.677SS.*  trans-55.3143.7175-26.735.7000111.7L617 L618 R619P615-L617 PolarHBondContact O-N 2.87Å; P615-L618 HydrophobicContact CB-CD1 4.44Å; P615-L618 HydrophobicContact CB-CG 4.43Å; P615-L618 HydrophobicContact CG-CD1 4.14Å; P615-L618 PolarHBondContact O-N 3.49Å; P615-R619 PolarHBondContact O-N 3.34Å
616P78.9Confident72.5Confident92 Ų92128.8 Ų128.860%0.59768%0.683SS**G310 helixtrans-53.1-40.8-177.6-26.734.4000113.7L618 R619P616-L618 PolarHBondContact O-N 2.86Å; P616-R619 PolarHBondContact O-N 3.38Å
617L74.6Confident69.8Low170 Ų170131.3 Ų131.389%0.8968%0.683SS**G310 helixtrans-64.2-16.8178-63.7165.8000114.5P615P615-L617 PolarHBondContact O-N 2.87Å
618L73.8Confident66.8Low127 Ų127134.2 Ų134.267%0.66569%0.694SS**G310 helixtrans-112.67.4-179-60.2-179.3000112.5I614 P615 P616I614-L618 HydrophobicContact CG2-CB 4Å; P615-L618 HydrophobicContact CB-CD1 4.44Å; P615-L618 HydrophobicContact CB-CG 4.43Å; P615-L618 HydrophobicContact CG-CD1 4.14Å; P615-L618 PolarHBondContact O-N 3.49Å; P616-L618 PolarHBondContact O-N 2.86Å
619R79.5Confident64Low109 Ų109134.1 Ų134.141%0.41169%0.693SS.*SBendtrans-85.4114168.9-63.7179.3-157.2136.28.7107.6S611 I614 P615 P616 N621S611-R619 PolarHBondContact O-NE 3.18Å; I614-R619 HydrophobicContact CB-CG 4.08Å; I614-R619 HydrophobicContact CG2-CG 3.81Å; I614-R619 VanDerWaalsContact O-CZ 3.28Å; I614-R619 PolarHBondContact O-NE 3.33Å; I614-R619 PolarHBondContact O-NH2 2.96Å; P615-R619 PolarHBondContact O-N 3.34Å; P616-R619 PolarHBondContact O-N 3.38Å; R619-N621 PolarHBondContact O-N 3.5Å
620V70.7Confident61.1Low132 Ų132134.2 Ų134.280%0.870%0.699SS**  trans-55.8115.7161.2-179.30000107Q622V620-Q622 PolarHBondContact O-N 3.29Å
621N53.2Low58.5Low141 Ų141130.9 Ų130.975%0.75470%0.703SS**  trans-65.3107.9173.8-82.2-28.8000107.8R619 T623R619-N621 PolarHBondContact O-N 3.5Å; N621-T623 PolarHBondContact O-N 3.02Å
622Q46.3Very low55.9Low183 Ų183133.1 Ų133.186%0.85571%0.713SS**  trans-73.878.4169.2-70.7-178.5-23.800108.7V620V620-Q622 PolarHBondContact O-N 3.29Å
623T42.5Very low53.5Low111 Ų111136.1 Ų136.168%0.68172%0.721SS**  trans-62.6138.6149.6460000107.8N621 T625N621-T623 PolarHBondContact O-N 3.02Å; T623-T625 PolarHBondContact O-N 3.49Å; T623-T625 PolarHBondContact O-OG1 2.81Å
624D38.6Very low50.8Low152 Ų152135.2 Ų135.281%0.81372%0.724SS**  trans-63.790.9-168.3-81.7-63.8000113F626D624-F626 HydrophobicContact CB-CD2 4.48Å; D624-F626 HydrophobicContact CB-CE2 4.37Å; D624-F626 PolarHBondContact O-N 2.75Å
625T31.7Very low48.1Very low127 Ų127142.5 Ų142.578%0.77975%0.754SS**  trans-84.6109.4168.617.70000109.1T623 Y627T623-T625 PolarHBondContact O-N 3.49Å; T623-T625 PolarHBondContact O-OG1 2.81Å; T625-Y627 VanDerWaalsContact C-N 3.29Å; T625-Y627 PolarHBondContact O-N 2.88Å
626F36.7Very low45.7Very low187 Ų187144.7 Ų144.782%0.8277%0.768SS**  trans-71.761.8-168.1-99.1-101.4000115.2D624D624-F626 HydrophobicContact CB-CD2 4.48Å; D624-F626 HydrophobicContact CB-CE2 4.37Å; D624-F626 PolarHBondContact O-N 2.75Å
627Y31.2Very low43.8Very low209 Ų209144.9 Ų144.982%0.8278%0.778SS**  trans-134.298.7168.5-76.3-72.1000112.9T625 H629T625-Y627 VanDerWaalsContact C-N 3.29Å; T625-Y627 PolarHBondContact O-N 2.88Å; Y627-H629 PolarHBondContact O-N 2.98Å
628Q29.1Very low42.1Very low194 Ų194142 Ų14291%0.90777%0.769SS**  trans-78.1106.5173.3-71.7-174.4-16.400111.4
629H31.4Very low40.8Very low179 Ų179137.6 Ų137.683%0.82975%0.748SS**PPolyproline II helixtrans-85.1129.4156.4-79.8-81.7000110.1Y627Y627-H629 PolarHBondContact O-N 2.98Å
630T30.5Very low38.6Very low117 Ų117136.9 Ų136.972%0.71876%0.756SS**PPolyproline II helixtrans-80.6129.2-175.142.50000112.2
631P36.7Very low36.6Very low127 Ų127133.8 Ų133.883%0.82575%0.751SS**PPolyproline II helixtrans-76.2126.2172.430.5-32.6000110.1
632T33.5Very low35.9Very low137 Ų137133.8 Ų133.884%0.8476%0.755SS**  trans-97.3106.4172.4-55.10000109.2
633D35.5Very low35.2Very low163 Ų163133.3 Ų133.387%0.87276%0.758SS**  trans-78.5150.3174.8-167.811.8000110.9
634G35.5Very low34.8Very low59 Ų59136.7 Ų136.761%0.60877%0.768SS**  trans-143.9128.9-16600000115
635K33.6Very low34.4Very low207 Ų207133.2 Ų133.290%0.977%0.768SS**  trans-159.9165.7165.7-109.9163-175167.40110.3
636P37.3Very low34.5Very low116 Ų116133.2 Ų133.275%0.75377%0.773SS**  -114.4159.1-113.939.5-30.9000114.9
637A38.3Very low34.4Very low96 Ų96133.5 Ų133.579%0.79380%0.799SS**  trans-72.3151165.300000111.5
638P38.1Very low34.5Very low109 Ų109129.8 Ų129.871%0.70880%0.797SS**  -148.3-174.1104.241.5-24.9000113
639P46.5Very low34.8Very low35 Ų35126.4 Ų126.423%0.22779%0.792CS.*  -147.9-170.1-57.844.8-28000115T201 I202 I203T201-P639 HydrophobicContact CG2-CB 3.41Å; T201-P639 VanDerWaalsContact CG2-CB 3.41Å; T201-P639 HydrophobicContact CG2-CG 3.58Å; I202-P639 VanDerWaalsContact C-CG 3.47Å; I202-P639 WeakPolarHBondContact O-CD 3.48Å; I202-P639 WeakPolarHBondContact O-CG 3.42Å; I203-P639 WeakPolarHBondContact CG1-O 3.49Å; I203-P639 WeakPolarHBondContact CG2-O 3.35Å
640V34Very low35Very low94 Ų94123.4 Ų123.457%0.5779%0.79SS**  trans64.5140.8164.7-176.30000115.9T201 I203T201-V640 HydrophobicContact CG2-CG2 3.92Å; I203-V640 HydrophobicContact CD1-CB 3.69Å; I203-V640 HydrophobicContact CD1-CG1 3.93Å; I203-V640 HydrophobicContact CG1-CB 3.83Å; I203-V640 HydrophobicContact CG1-CG1 4.42Å; I203-V640 HydrophobicContact CG1-CG2 4.42Å
641G29.2Very low35.3Very low67 Ų67123.8 Ų123.869%0.69179%0.794SS**  cis-179.2177.8-2.100000112.2
642V38Very low35.2Very low141 Ų141123.6 Ų123.686%0.85579%0.792SS**  trans-80.8138.3-169.4178.60000112.9
643L30.3Very low35.3Very low172 Ų172122.7 Ų122.790%0.90179%0.789SS**  trans-136.8134.3151.2-103.7168.8000109.1
644M34.9Very low35.3Very low183 Ų183119.9 Ų119.990%0.90178%0.783SS**  trans-77151.9168-77.5-179.3163.600110.3
645G30.4Very low35.3Very low79 Ų79124.5 Ų124.581%0.81480%0.796SS**  trans-160.3119.6169.100000110.2
646S34Very low35.4Very low126 Ų126117.7 Ų117.788%0.88179%0.788SS**  trans-91.2137.3-173.6-49.90000112.7
647S33.6Very low35.2Very low194 Ų194117.8 Ų117.8100%1.35779%0.791SS**  trans-165.50145.764.10000110

Retrieved 647 of 647 residues in 834.1 ms (Link to these results)