A0A096N7C8_PAPAN Loading...

Palmitoyltransferase

AlphaFold DB (F6PJF9), UniProt , Accession A0A096N7C8, Species PAPAN (Papio anubis, Olive baboon), Gene ZDHHC9, Length 423 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.2Very low27.9Very low254 Ų254116.3 Ų116.3100%1.25183%0.833SS**  099.20-63.5172.5172.600105.9
2G29.1Very low28.7Very low89 Ų89119.3 Ų119.392%0.91881%0.812SS**  cis108.567.53400000108.5
3G26Very low29Very low78 Ų78125.2 Ų125.280%0.80481%0.806SS**  trans-129.5103.7179.600000110.3
4G25.1Very low29.3Very low84 Ų84120.9 Ų120.987%0.86678%0.781SS**  trans-76.8136.4-174.900000113
5V29.7Very low29.5Very low148 Ų148121.3 Ų121.390%0.89778%0.781SS**  trans-93.4100.2170.4-176.20000107.4G7V5-G7 PolarHBondContact O-N 3.02Å; V5-G7 VanDerWaalsContact O-N 3.11Å
6G24.5Very low29.6Very low85 Ų85118.3 Ų118.388%0.87675%0.75SS**  trans-75.289.3172.100000110.7G8G6-G8 PolarHBondContact O-N 2.91Å
7G25.7Very low29.5Very low61 Ų61118.8 Ų118.863%0.62975%0.754SS**  trans-82.4103.2166.100000109.7V5 I9V5-G7 PolarHBondContact O-N 3.02Å; V5-G7 VanDerWaalsContact O-N 3.11Å; G7-I9 PolarHBondContact O-N 3.41Å
8G23.1Very low29.5Very low77 Ų77119.7 Ų119.779%0.79475%0.75SS**  trans-65.499.1171.600000110.6G6 V10G6-G8 PolarHBondContact O-N 2.91Å; G8-V10 PolarHBondContact O-N 3.21Å
9I28.3Very low29.4Very low144 Ų144118.9 Ų118.974%0.73876%0.755SS**  trans-73.3112.4162.3-64.6172.2000105.7G7 E11G7-I9 PolarHBondContact O-N 3.41Å; I9-E11 VanDerWaalsContact C-N 3.26Å; I9-E11 PolarHBondContact O-N 3.35Å
10V31.1Very low29.5Very low131 Ų131118.6 Ų118.679%0.79475%0.752SS**  trans-69.392.3167.6-177.20000106.7G8 W12G8-V10 PolarHBondContact O-N 3.21Å; V10-W12 PolarHBondContact O-N 3.21Å
11E29.7Very low29.4Very low128 Ų128124.5 Ų124.560%0.59876%0.76SS**  trans-69.4116.1176.1-164.5175.4178.800108.2I9 R13I9-E11 VanDerWaalsContact C-N 3.26Å; I9-E11 PolarHBondContact O-N 3.35Å; E11-R13 HydrophobicContact CG-CB 4.33Å; E11-R13 HydrophobicContact CG-CG 4.08Å; E11-R13 PolarHBondContact O-N 3.17Å; E11-R13 VanDerWaalsContact OE1-CD 3.28Å; E11-R13 WeakPolarHBondContact OE1-CD 3.43Å; E11-R13 IonicContact OE1-CZ 2.66Å; E11-R13 IonicContact OE1-NE 3.84Å; E11-R13 PolarHBondContact OE1-NE 3.14Å
12W38.3Very low29.1Very low152 Ų152119.3 Ų119.358%0.57674%0.737SS**  trans-75.462.8171.7-154.389.9000108.9V10 P208V10-W12 PolarHBondContact O-N 3.21Å; W12-P208 HydrophobicContact CH2-CG 4.11Å; W12-P208 HydrophobicContact CZ2-CB 4.43Å; W12-P208 HydrophobicContact CZ2-CG 3.88Å
13R31.7Very low29.3Very low197 Ų197126.3 Ų126.374%0.74374%0.736SS**  trans-102.3115.7165.1-90.9-171.1-166-126.10.1107.9E11E11-R13 HydrophobicContact CG-CB 4.33Å; E11-R13 HydrophobicContact CG-CG 4.08Å; E11-R13 PolarHBondContact O-N 3.17Å; E11-R13 VanDerWaalsContact OE1-CD 3.28Å; E11-R13 WeakPolarHBondContact OE1-CD 3.43Å; E11-R13 IonicContact OE1-CZ 2.66Å; E11-R13 IonicContact OE1-NE 3.84Å; E11-R13 PolarHBondContact OE1-NE 3.14Å
14S33.3Very low29.3Very low64 Ų64126.6 Ų126.645%0.44874%0.738SS.*  trans50.1102.2155.2-81.70000118.6Y16S14-Y16 WeakPolarHBondContact CB-O 3.29Å; S14-Y16 PolarHBondContact OG-O 2.93Å
15T32.9Very low29.5Very low127 Ų127126.2 Ų126.278%0.77974%0.735SS**SBendtrans-90.913.6135.142.70000112.6
16Y31.6Very low29.5Very low74 Ų74131.4 Ų131.429%0.2974%0.738SS.*SBendtrans-120.9123168.7-59.8-74.6000108.5S14 M18 F163S14-Y16 WeakPolarHBondContact CB-O 3.29Å; S14-Y16 PolarHBondContact OG-O 2.93Å; Y16-M18 PolarHBondContact O-N 3.49Å; Y16-F163 HydrophobicContact CE1-CD1 4.17Å; Y16-F163 HydrophobicContact CE1-CE1 4.03Å
17P27.6Very low29.6Very low127 Ų127131.2 Ų131.283%0.82574%0.736SS**  trans-62.9105.717725.6-30.8000108.1A19P17-A19 PolarHBondContact O-N 3.39Å
18M29.8Very low29.7Very low135 Ų135132.3 Ų132.367%0.66575%0.748SS**  trans-59.5110.5160.6-71.7-75.5-82.400105.1Y16 V20Y16-M18 PolarHBondContact O-N 3.49Å; M18-V20 HydrophobicContact CB-CG2 4.4Å; M18-V20 PolarHBondContact O-N 2.86Å
19A27.6Very low29.8Very low104 Ų104132.6 Ų132.686%0.8675%0.751SS**  trans-67.172.1169.700000108.8P17 R21P17-A19 PolarHBondContact O-N 3.39Å; A19-R21 PolarHBondContact O-N 3.48Å
20V30.3Very low29.8Very low113 Ų113130.4 Ų130.469%0.68575%0.754SS**  trans-73.1104.2156.7-179.90000104.4M18 D22M18-V20 HydrophobicContact CB-CG2 4.4Å; M18-V20 PolarHBondContact O-N 2.86Å; V20-D22 PolarHBondContact O-N 3.18Å
21R28.2Very low29.6Very low243 Ų243133.3 Ų133.392%0.91776%0.759SS**  trans-66.183.6172.1-169.4-179.3-168.7172.24.1108.1A19A19-R21 PolarHBondContact O-N 3.48Å
22D28.3Very low29.4Very low144 Ų144131.3 Ų131.377%0.7776%0.764SS**  trans-96.7130.5169.6-148.5-2.8000109.9V20 G24V20-D22 PolarHBondContact O-N 3.18Å; D22-G24 PolarHBondContact O-N 2.93Å
23R32.2Very low29Very low237 Ų237130.8 Ų130.889%0.89477%0.773SS**  trans-80.2112-177-79.5-176-175.5-179.21.8109.3
24G27.5Very low28.8Very low83 Ų83131.6 Ų131.686%0.85678%0.776SS**  trans85.2126.7143.800000117.2D22D22-G24 PolarHBondContact O-N 2.93Å
25G27.9Very low28.5Very low77 Ų77134.2 Ų134.279%0.79479%0.791SS**  trans151.384.5160.600000116
26R30.1Very low28.2Very low256 Ų256136.3 Ų136.397%0.96680%0.796SS**  trans18120.5148.3-90.3176.8-123.8-127.4-2.4119.8
27G26.5Very low27.9Very low81 Ų81141.9 Ų141.984%0.83583%0.825SS**  105.5116.1110.900000119
28G26.9Very low27.7Very low85 Ų85139.3 Ų139.388%0.87682%0.821SS**  trans113.3117.613300000118.8
29G26.9Very low27.6Very low83 Ų83142.2 Ų142.286%0.85683%0.833SS**  trans98.5100.9135.600000118
30A26.9Very low27.4Very low97 Ų97145.9 Ų145.980%0.80283%0.832SS**  trans-84.7146.316300000110.4
31E28.3Very low27.1Very low192 Ų192148.9 Ų148.990%0.89784%0.843SS**  trans-155.4125.5152.4-161.495.6166.400108
32A25.3Very low26.9Very low87 Ų87145.2 Ų145.272%0.71984%0.841SS**  trans-109.8139.9174.400000107.9
33D28.6Very low26.7Very low141 Ų141147.2 Ų147.275%0.75485%0.846SS**  trans-159.6163.5143.7-116.2-30.3000116.2
34R28.8Very low26.3Very low214 Ų214147.2 Ų147.281%0.80885%0.846SS**  trans-75.5174.1-153.7-88.8173.5-81.8-176.1-6.1118.7
35P25.9Very low26.7Very low118 Ų118149 Ų14977%0.76684%0.842SS**  trans-93.2159.3-170.738-32000113.5
36I27.3Very low26.6Very low171 Ų171149.1 Ų149.188%0.87784%0.844SS**  trans-117.6127.6173-62.7-178.7000110
37E24.6Very low26.3Very low192 Ų192143.6 Ų143.690%0.89783%0.833SS**  trans-84.9164.5173.2-67.6-178.1121.400113
38G24.3Very low26.4Very low72 Ų72146 Ų14674%0.74283%0.832SS**  trans111.4136.6165.900000112.7
39E28.1Very low26.3Very low196 Ų196152.8 Ų152.892%0.91683%0.831SS**  cis-164.4154.45.2-130.5177.7118.100107.4
40Q22.5Very low26.2Very low181 Ų181153.9 Ų153.985%0.84683%0.825SS**  trans-77.2133177.9-70.5170.3-12.700110.5
41L25.3Very low26.6Very low176 Ų176155.9 Ų155.992%0.92183%0.827SS**  trans-125.6126.2155-13194.9000110.8
42L22.5Very low27Very low166 Ų166152.2 Ų152.287%0.86982%0.82SS**  trans-97.2113.1-168.4-169.4114.8000108.4
43E24.2Very low27Very low186 Ų186158.2 Ų158.287%0.86983%0.83SS**  trans-143.2134.1159.4-74.2-145.3141.300112.4
44R24.8Very low27Very low237 Ų237155.1 Ų155.189%0.89483%0.832SS**  trans-144.7164.8167.5-92.4-159-173.7-161.87.1106.1
45P35.9Very low27Very low121 Ų121153.8 Ų153.879%0.78684%0.835SS**  cis-131.3159.3-13.429.7-9.6000113.7
46G25Very low27.1Very low80 Ų80159.3 Ų159.383%0.82584%0.84SS**  trans-126.4113.4163.400000109.6
47D24.1Very low27.1Very low139 Ų139163.7 Ų163.774%0.74385%0.846SS**  trans-82.3121.3-174.3-155.84.6000110.1
48V27.8Very low27.3Very low132 Ų132159.1 Ų159.180%0.884%0.841SS**  trans-141.4101.7159.2-178.80000108.5S50V48-S50 PolarHBondContact O-N 2.93Å
49R25.7Very low27.5Very low227 Ų227162.8 Ų162.886%0.85785%0.849SS**  trans-61.7127164.8-70.1177.7-173.1-171.80.9109.6
50S25.2Very low27.4Very low106 Ų106157.8 Ų157.874%0.74184%0.841SS**  trans-146.4113.2149.6500000108.7V48V48-S50 PolarHBondContact O-N 2.93Å
51V35.6Very low27.7Very low140 Ų140156.1 Ų156.185%0.84884%0.843SS**  trans-94135166.6179.30000106
52P35.3Very low27.8Very low115 Ų115152.7 Ų152.775%0.74784%0.841SS**  trans-139.2133.5137.322.6-2000114.9
53F26.7Very low27.9Very low212 Ų212148.2 Ų148.293%0.9383%0.834SS**  56110.8124.9-129.6-100.4000119.4
54G27.7Very low28.2Very low76 Ų76147.9 Ų147.978%0.78484%0.838SS**  trans145.246.3160.700000116.9
55Q28.9Very low28.3Very low187 Ų187140.2 Ų140.287%0.87483%0.832SS**  trans-130.3108.4164.2-80.5-176.81.300109.1
56R28.5Very low28Very low233 Ų233140.7 Ų140.788%0.87984%0.835SS**  trans156.990.2148.4-90.4168.1-178.6-109.80.6109.7
57W27.5Very low28.3Very low264 Ų264148.4 Ų148.4100%184%0.839SS**  trans-154.986.4148.7-72.1108000108.2
58A28.5Very low28.6Very low96 Ų96147.9 Ų147.979%0.79384%0.843SS**  trans-175.166.4160.100000111.1
59V27.6Very low28.8Very low148 Ų148150 Ų15090%0.89785%0.85SS**  trans-151.6143.2155.3-173.80000108.7
60A25.5Very low28.9Very low92 Ų92142.2 Ų142.276%0.7684%0.84SS**  trans88.1101.2-178.700000113.4
61T29.1Very low29.1Very low145 Ų145143.2 Ų143.289%0.8984%0.844SS**  -141.3135.96240.10000112.9
62A28.4Very low28.8Very low105 Ų105144.6 Ų144.687%0.86885%0.845SS**  trans-92.6158.5172.900000110.8
63G25.1Very low28.5Very low71 Ų71144.9 Ų144.973%0.73285%0.845SS**  trans12194.6146.900000115.3
64L29.1Very low28.5Very low180 Ų180145.8 Ų145.894%0.94284%0.842SS**  157.993.4128.7-80178.2000107.9
65G26.5Very low28.5Very low75 Ų75153.3 Ų153.377%0.77385%0.847SS**PPolyproline II helixtrans-94.3153.7171.900000111.7
66P31.4Very low28.6Very low132 Ų132156.1 Ų156.186%0.85785%0.849SS**PPolyproline II helixtrans-98.1145.8152.314.14000111.1
67R29.5Very low28.7Very low241 Ų241153.5 Ų153.591%0.90985%0.847SS**PPolyproline II helixtrans-60.7156.8-177.4-70.3178.3168.5-153-2.8113.9
68P31Very low29.1Very low128 Ų128146.4 Ų146.483%0.83184%0.835SS**PPolyproline II helixtrans-80.2132.3-175.131.5-32.6000112.4
69L31.4Very low29.5Very low177 Ų177148.2 Ų148.293%0.92784%0.839SS**PPolyproline II helixtrans-93.5130.5159.5-73.1168.3000108.2
70G29Very low29.7Very low63 Ų63144.3 Ų144.365%0.64983%0.829SS**PPolyproline II helixtrans-63.3169.9-17500000115L72G70-L72 PolarHBondContact O-N 3.01Å; G70-L72 VanDerWaalsContact O-N 3.16Å
71P30Very low30.2Very low128 Ų128146.5 Ų146.583%0.83184%0.835SS**  trans-77.4106.1-169.630-31.8000111.5V73P71-V73 PolarHBondContact O-N 3.34Å
72L27.5Very low30.3Very low168 Ų168143 Ų14388%0.8883%0.828SS**  trans-76.199.9162.7-117.7137.7000108.5G70 R74G70-L72 PolarHBondContact O-N 3.01Å; G70-L72 VanDerWaalsContact O-N 3.16Å; L72-R74 PolarHBondContact O-N 2.94Å
73V30.2Very low30.5Very low122 Ų122149.7 Ų149.774%0.73983%0.831SS**  trans-62.196.7172175.40000108.8P71P71-V73 PolarHBondContact O-N 3.34Å
74R26.3Very low31.1Very low230 Ų230158.3 Ų158.387%0.86884%0.841SS**  trans-96.493.9168.6-141.7178.7-166.4-161.73.6108.5L72 R76L72-R74 PolarHBondContact O-N 2.94Å; R74-R76 PolarHBondContact O-N 3.3Å
75R28Very low31.2Very low234 Ų234154.6 Ų154.688%0.88383%0.831SS**  trans-53.3111.1166.3-76.6-175.1176.2-161.20.1108.3Q77R75-Q77 PolarHBondContact O-N 2.94Å
76R31.4Very low31.3Very low246 Ų246161.1 Ų161.193%0.92883%0.832SS**  trans-83.2111.5166.5-80.1-171.6178.5-158.40.6108R74R74-R76 PolarHBondContact O-N 3.3Å
77Q30.7Very low31.2Very low178 Ų178161.3 Ų161.383%0.83284%0.835SS**PPolyproline II helixtrans-64.8148.8166-80.6177.3-3.200110.3R75R75-Q77 PolarHBondContact O-N 2.94Å
78P34.1Very low31.4Very low116 Ų116157.4 Ų157.475%0.75383%0.827SS**PPolyproline II helixtrans-71.1148174.330.4-32.8000110.8G80P78-G80 PolarHBondContact O-N 2.97Å
79P38.6Very low31.4Very low133 Ų133158.5 Ų158.586%0.86483%0.825SS**PPolyproline II helixtrans-75.7123.6175.329.6-29.7000110.3
80G30.9Very low31.2Very low67 Ų67161 Ų16169%0.69182%0.822SS**PPolyproline II helixtrans-73.1163.4167.700000112.5P78P78-G80 PolarHBondContact O-N 2.97Å
81P36.4Very low31.2Very low138 Ų138167.7 Ų167.790%0.89683%0.828SS**PPolyproline II helixtrans-84.9145.4-168.533.9-32.7000112.4
82G31.4Very low31.3Very low72 Ų72167.6 Ų167.674%0.74283%0.827SS**  trans106101.1153.900000116.3
83R31.1Very low31.6Very low245 Ų245166.2 Ų166.293%0.92583%0.826SS**  trans-162.3110.8131.3-106.7169.1-155.1-105.23.5109.8
84R37.7Very low31.8Very low251 Ų251172.3 Ų172.395%0.94784%0.835SS**  trans-61.3128.3163.6-74.7178.1177.1-143-1.2108.8
85S31.5Very low32.2Very low103 Ų103166.8 Ų166.872%0.7283%0.832SS**  trans-147.2101163.1-75.80000111.6
86R29.7Very low33Very low211 Ų211161.5 Ų161.580%0.79683%0.828SS**  trans33.6109.4143.5-82.7173.2-95.8-113.7-1.3118.8H88R86-H88 PolarHBondContact O-N 3.46Å
87C29Very low33.1Very low137 Ų137153.1 Ų153.193%0.92682%0.819SS**  trans-62.4114.4152.2-65.50000109.8
88H33Very low33.6Very low158 Ų158150.4 Ų150.473%0.73181%0.814SS**  trans-92.2111.1162.9-81.7-80.2000109.4R86 W90R86-H88 PolarHBondContact O-N 3.46Å; H88-W90 PolarHBondContact O-N 3.29Å
89L31.8Very low33.7Very low152 Ų152149.9 Ų149.980%0.79681%0.809SS**  trans-58.6114.1168.5-170.475.3000109.8
90W27.3Very low33.7Very low229 Ų229153.5 Ų153.587%0.86781%0.805SS**  trans-91.4111.2168.6-119.879000109.1H88H88-W90 PolarHBondContact O-N 3.29Å
91R28Very low34Very low204 Ų204159.1 Ų159.177%0.7781%0.811SS**PPolyproline II helixtrans-75.3146.1169.5-79.6-179.1174.4-124.51.4109.8
92P31.9Very low34.1Very low126 Ų126159.2 Ų159.282%0.81880%0.803SS**PPolyproline II helixtrans-85.6124.9173.632.8-28.3000110.1
93T34.4Very low34.6Very low138 Ų138159.5 Ų159.585%0.84779%0.792SS**PPolyproline II helixtrans-92.2133.416245.20000109.3
94R34.3Very low35.1Very low250 Ų250152.1 Ų152.194%0.94378%0.778SS**  trans-116.2122.3-176.2-166.2-172.8-161.9-174.45.2107.2
95S35Very low35.5Very low115 Ų115143 Ų14380%0.80476%0.756SS**  trans-166.5153.214560.20000111.1
96P45.9Very low36.2Very low123 Ų123142.1 Ų142.180%0.79976%0.755SS**  trans-103.9125.3-145.835.4-26.2000112.8
97G32.3Very low36.9Very low70 Ų70134.7 Ų134.772%0.72274%0.744SS**  trans-11092.4161.100000108.7V99G97-V99 PolarHBondContact O-N 2.96Å
98T41.6Very low37.9Very low120 Ų120132.8 Ų132.874%0.73672%0.717SS**  trans-7182.5172.2-56.10000109.1R100T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 HydrophobicContact CG2-CG 4.03Å; T98-R100 PolarHBondContact O-N 3.49Å; T98-R100 VanDerWaalsContact O-N 3.16Å
99V35.3Very low38.7Very low106 Ų106128 Ų12864%0.64270%0.699SS**  trans-7892.4159.3-176.50000106.2G97 F101G97-V99 PolarHBondContact O-N 2.96Å; V99-F101 HydrophobicContact CB-CD2 4.41Å; V99-F101 HydrophobicContact CB-CE2 4.37Å; V99-F101 HydrophobicContact CG1-CD2 3.7Å; V99-F101 HydrophobicContact CG1-CE2 3.62Å; V99-F101 HydrophobicContact CG1-CG 4.48Å; V99-F101 HydrophobicContact CG1-CZ 4.35Å; V99-F101 PolarHBondContact O-N 3.09Å
100R38.7Very low39.7Very low209 Ų209122.2 Ų122.279%0.78968%0.676SS**  trans-64.393.6162.1-84.7-179.3-172.2173.92.8107T98 L102T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 HydrophobicContact CG2-CG 4.03Å; T98-R100 PolarHBondContact O-N 3.49Å; T98-R100 VanDerWaalsContact O-N 3.16Å; R100-L102 HydrophobicContact CB-CD1 4.36Å; R100-L102 PolarHBondContact O-N 3.32Å
101F37.8Very low41.3Very low184 Ų184113 Ų11381%0.80765%0.647SS**  trans-63.393.3155.1-82-89.5000106.8V99 P103V99-F101 HydrophobicContact CB-CD2 4.41Å; V99-F101 HydrophobicContact CB-CE2 4.37Å; V99-F101 HydrophobicContact CG1-CD2 3.7Å; V99-F101 HydrophobicContact CG1-CE2 3.62Å; V99-F101 HydrophobicContact CG1-CG 4.48Å; V99-F101 HydrophobicContact CG1-CZ 4.35Å; V99-F101 PolarHBondContact O-N 3.09Å; F101-P103 VanDerWaalsContact O-CD 3.25Å; F101-P103 WeakPolarHBondContact O-CD 3.48Å
102L38.2Very low43Very low140 Ų140106.7 Ų106.773%0.73363%0.632SS**PPolyproline II helixtrans-65.3117157.8-106.678.3000105.8R100 S104R100-L102 HydrophobicContact CB-CD1 4.36Å; R100-L102 PolarHBondContact O-N 3.32Å; L102-S104 PolarHBondContact O-N 3.29Å; L102-S104 VanDerWaalsContact O-N 3.12Å
103P42.8Very low44.7Very low78 Ų78110.5 Ų110.551%0.50663%0.63SS.*PPolyproline II helixtrans-64.7122.2170.420.8-20.8000106.9F101 R108F101-P103 VanDerWaalsContact O-CD 3.25Å; F101-P103 WeakPolarHBondContact O-CD 3.48Å; P103-R108 VanDerWaalsContact O-CZ 3.27Å; P103-R108 PolarHBondContact O-NH1 3.41Å; P103-R108 PolarHBondContact O-NH2 3.34Å
104S40.8Very low46.3Very low91 Ų91108.1 Ų108.164%0.63661%0.609SS**PPolyproline II helixtrans-50.2141169.9-171.10000109.2L102 A106 G107L102-S104 PolarHBondContact O-N 3.29Å; L102-S104 VanDerWaalsContact O-N 3.12Å; S104-A106 PolarHBondContact O-N 3.01Å; S104-G107 PolarHBondContact O-N 3.13Å
105A46.6Very low48.5Very low59 Ų5996.9 Ų96.949%0.48857%0.566SS.*G310 helixtrans-57.1-23.7-175.400000113.4R108A105-R108 VanDerWaalsContact CA-NH2 3.34Å; A105-R108 PolarHBondContact O-N 2.89Å
106A45.5Very low50.6Low84 Ų8494 Ų9469%0.69455%0.545SS*.G310 helixtrans-69.6-29.2174.100000113.9S104 R108S104-A106 PolarHBondContact O-N 3.01Å; A106-R108 VanDerWaalsContact C-N 3.25Å; A106-R108 PolarHBondContact O-N 3.49Å
107G43.9Very low52.4Low55 Ų5596.6 Ų96.657%0.56754%0.539SS*.G310 helixtrans-77.5-9.1176.300000114S104S104-G107 PolarHBondContact O-N 3.13Å
108R50.5Low54.8Low97 Ų9795.5 Ų95.537%0.36651%0.514SS..THydrogen-bonded Turntrans-80.8-41179.4-77.4-171.9-87.4-95.2-0.4111.9P103 A105 A106 G110 S111 F114P103-R108 VanDerWaalsContact O-CZ 3.27Å; P103-R108 PolarHBondContact O-NH1 3.41Å; P103-R108 PolarHBondContact O-NH2 3.34Å; A105-R108 VanDerWaalsContact CA-NH2 3.34Å; A105-R108 PolarHBondContact O-N 2.89Å; A106-R108 VanDerWaalsContact C-N 3.25Å; A106-R108 PolarHBondContact O-N 3.49Å; R108-G110 VanDerWaalsContact C-N 3.28Å; R108-G110 PolarHBondContact O-N 3.44Å; R108-S111 PolarHBondContact O-N 3.01Å; R108-F114 HydrophobicContact CB-CD2 4.41Å; R108-F114 HydrophobicContact CB-CE1 4.23Å; R108-F114 HydrophobicContact CB-CE2 3.6Å; R108-F114 HydrophobicContact CB-CZ 3.51Å; R108-F114 HydrophobicContact CG-CE2 3.93Å; R108-F114 HydrophobicContact CG-CZ 3.75Å; R108-F114 WeakPolarHBondContact O-CD2 3.3Å; R108-F114 WeakPolarHBondContact O-CE2 3.36Å; R108-F114 WeakPolarHBondContact O-CG 3.35Å
109V50.8Low56.8Low58 Ų5890.2 Ų90.235%0.35248%0.481SS..THydrogen-bonded Turntrans-69-23-171.6-172.80000113.5E280 T281V109-E280 WeakPolarHBondContact CG1-O 3.49Å; V109-T281 HydrophobicContact CG1-CG2 4.36Å
110G51.5Low59.2Low31 Ų3186.3 Ų86.332%0.3246%0.46SS..THydrogen-bonded Turntrans-88.3-10179.100000115.8R108 R115R108-G110 VanDerWaalsContact C-N 3.28Å; R108-G110 PolarHBondContact O-N 3.44Å; G110-R115 PolarHBondContact O-NH1 2.97Å
111S60.8Low61.5Low35 Ų3581.6 Ų81.625%0.24545%0.454CS..SBendtrans-78.6137.7-172.6-172.10000112.1R108 W113 F114R108-S111 PolarHBondContact O-N 3.01Å; S111-W113 PolarHBondContact O-N 3.41Å; S111-W113 VanDerWaalsContact OG-CD1 3.3Å; S111-F114 PolarHBondContact O-N 2.88Å
112P65.3Low63.7Low72 Ų7277.8 Ų77.847%0.46844%0.438SS..Hα-helixtrans-48.7-33.3177.1-26.632000113.5F114 R115 C116P112-F114 VanDerWaalsContact C-N 3.32Å; P112-F114 PolarHBondContact O-N 3.36Å; P112-R115 PolarHBondContact O-N 3.16Å; P112-C116 PolarHBondContact O-N 3.43Å; P112-C116 PolarHBondContact O-SG 2.91Å
113W66.8Low66.1Low205 Ų20575.5 Ų75.578%0.77743%0.426SS*.Hα-helixtrans-56.9-37.8177.4-63.5105.6000114.1S111 R117S111-W113 PolarHBondContact O-N 3.41Å; S111-W113 VanDerWaalsContact OG-CD1 3.3Å; W113-R117 WeakPolarHBondContact O-CB 3.08Å; W113-R117 PolarHBondContact O-N 3.35Å
114F68.6Low68.4Low89 Ų8973.9 Ų73.939%0.3942%0.417SS..Hα-helixtrans-76-33179.7-74.3-94000112.1R108 S111 P112 Y118R108-F114 HydrophobicContact CB-CD2 4.41Å; R108-F114 HydrophobicContact CB-CE1 4.23Å; R108-F114 HydrophobicContact CB-CE2 3.6Å; R108-F114 HydrophobicContact CB-CZ 3.51Å; R108-F114 HydrophobicContact CG-CE2 3.93Å; R108-F114 HydrophobicContact CG-CZ 3.75Å; R108-F114 WeakPolarHBondContact O-CD2 3.3Å; R108-F114 WeakPolarHBondContact O-CE2 3.36Å; R108-F114 WeakPolarHBondContact O-CG 3.35Å; S111-F114 PolarHBondContact O-N 2.88Å; P112-F114 VanDerWaalsContact C-N 3.32Å; P112-F114 PolarHBondContact O-N 3.36Å; F114-Y118 WeakPolarHBondContact O-CB 3.15Å; F114-Y118 PolarHBondContact O-N 3.2Å
115R78.8Confident70.9Confident14 Ų1474 Ų745%0.05342%0.415CS..Hα-helixtrans-66.2-49.7172-69-171.9-72.2-72.57.5111.1G110 P112 R117 Y118 L119 Y264 T284 E287G110-R115 PolarHBondContact O-NH1 2.97Å; P112-R115 PolarHBondContact O-N 3.16Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 2.91Å; R115-Y118 PolarHBondContact O-N 3.43Å; R115-Y118 VanDerWaalsContact O-N 3.13Å; R115-L119 WeakPolarHBondContact O-CG 3.5Å; R115-L119 PolarHBondContact O-N 3.37Å; R115-Y264 HydrophobicContact CG-CD1 4.47Å; R115-Y264 HydrophobicContact CG-CD2 4.39Å; R115-Y264 HydrophobicContact CG-CE1 4.23Å; R115-Y264 HydrophobicContact CG-CE2 4.16Å; R115-T284 WeakPolarHBondContact CD-OG1 3.44Å; R115-E287 IonicContact CZ-OE2 3.41Å; R115-E287 VanDerWaalsContact CZ-OE2 3.25Å; R115-E287 IonicContact NE-OE2 3.31Å; R115-E287 PolarHBondContact NE-OE2 2.84Å; R115-E287 IonicContact NH2-OE2 3.8Å; R115-E287 PolarHBondContact NH2-OE2 3.31Å
116C79.7Confident73Confident53 Ų5372.9 Ų72.936%0.35841%0.406SS..Hα-helixtrans-57.3-42.4176.8-67.80000111.3P112 A120 P128P112-C116 PolarHBondContact O-N 3.43Å; P112-C116 PolarHBondContact O-SG 2.91Å; C116-A120 WeakPolarHBondContact O-CB 3.34Å; C116-A120 PolarHBondContact O-N 2.92Å; C116-P128 HydrophobicContact CB-CB 4.3Å
117R84.3Confident75.2Confident179 Ų17969.7 Ų69.768%0.67538%0.378SS*.Hα-helixtrans-64.2-44.9175.1-174.9174.5-179.1176.90.6112.3W113 R115 A120 V121W113-R117 WeakPolarHBondContact O-CB 3.08Å; W113-R117 PolarHBondContact O-N 3.35Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 2.91Å; R117-A120 PolarHBondContact O-N 3.34Å; R117-V121 HydrophobicContact CG-CG2 4.43Å; R117-V121 WeakPolarHBondContact O-CB 3.37Å; R117-V121 VanDerWaalsContact O-CG2 3.29Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 2.8Å
118Y82.6Confident77.5Confident47 Ų4768.9 Ų68.918%0.18436%0.362CS..Hα-helixtrans-60.7-50.4178.5-177.6-90.7000111.4F114 R115 A120 V121 Q122 Y264 L267 K271F114-Y118 WeakPolarHBondContact O-CB 3.15Å; F114-Y118 PolarHBondContact O-N 3.2Å; R115-Y118 PolarHBondContact O-N 3.43Å; R115-Y118 VanDerWaalsContact O-N 3.13Å; Y118-A120 PolarHBondContact O-N 2.87Å; Y118-V121 PolarHBondContact O-N 3.47Å; Y118-Q122 HydrophobicContact CD1-CG 4.24Å; Y118-Q122 HydrophobicContact CD2-CG 4.19Å; Y118-Q122 HydrophobicContact CE1-CB 4.48Å; Y118-Q122 HydrophobicContact CE1-CG 4.06Å; Y118-Q122 HydrophobicContact CE2-CG 3.99Å; Y118-Q122 HydrophobicContact CG-CG 4.32Å; Y118-Q122 VanDerWaalsContact O-CB 3.25Å; Y118-Q122 WeakPolarHBondContact O-CB 3.18Å; Y118-Q122 WeakPolarHBondContact O-CG 3.41Å; Y118-Q122 PolarHBondContact O-N 3.39Å; Y118-Y264 AromaticContact CD1-CD2 3.58Å; Y118-Y264 HydrophobicContact CD1-CD2 3.58Å; Y118-Y264 AromaticContact CD1-CE2 3.71Å; Y118-Y264 HydrophobicContact CD1-CE2 3.71Å; Y118-Y264 HydrophobicContact CE1-CD2 4.14Å; Y118-Y264 HydrophobicContact CE1-CE2 4.32Å; Y118-Y264 HydrophobicContact CG-CD2 4.2Å; Y118-Y264 AromaticContact CG-CE2 3.88Å; Y118-Y264 HydrophobicContact CG-CE2 3.88Å; Y118-L267 HydrophobicContact CE1-CB 4.29Å; Y118-K271 WeakPolarHBondContact OH-CE 3.46Å; Y118-K271 PolarHBondContact OH-NZ 3.39Å
119L82.8Confident79.5Confident9 Ų968.2 Ų68.25%0.04737%0.369CS..Hα-helixtrans-65-38178.3-66.7172.9000112R115 V121 L123 S124 I127 F260R115-L119 WeakPolarHBondContact O-CG 3.5Å; R115-L119 PolarHBondContact O-N 3.37Å; L119-V121 PolarHBondContact O-N 2.89Å; L119-L123 HydrophobicContact CD2-CD1 3.52Å; L119-L123 WeakPolarHBondContact O-CB 3.25Å; L119-L123 PolarHBondContact O-N 3.45Å; L119-S124 PolarHBondContact O-N 3.43Å; L119-I127 HydrophobicContact CB-CD1 4.46Å; L119-F260 HydrophobicContact CD1-CB 4.11Å; L119-F260 HydrophobicContact CD1-CD1 4.41Å
120A86.8Confident81.6Confident24 Ų2470.7 Ų70.720%0.19838%0.375CS..Hα-helixtrans-63.7-40.8177.600000112.8C116 R117 Y118 S124 P128C116-A120 WeakPolarHBondContact O-CB 3.34Å; C116-A120 PolarHBondContact O-N 2.92Å; R117-A120 PolarHBondContact O-N 3.34Å; Y118-A120 PolarHBondContact O-N 2.87Å; A120-S124 WeakPolarHBondContact CA-O 3.37Å; A120-S124 CarbonylContact O-C 3.16Å; A120-S124 VanDerWaalsContact O-C 3.31Å; A120-P128 HydrophobicContact CB-CG 4.19Å
121V86.6Confident83.6Confident109 Ų10970.4 Ų70.466%0.66137%0.37SS*.Hα-helixtrans-78.9-38-179173.40000111.8R117 Y118 L119R117-V121 HydrophobicContact CG-CG2 4.43Å; R117-V121 WeakPolarHBondContact O-CB 3.37Å; R117-V121 VanDerWaalsContact O-CG2 3.29Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 2.8Å; Y118-V121 PolarHBondContact O-N 3.47Å; L119-V121 PolarHBondContact O-N 2.89Å
122Q83.7Confident85.2Confident105 Ų10571 Ų7149%0.49138%0.377SS..Hα-helixtrans-88.9-27.3-172.9-62.8-71.2-31.200113.6Y118Y118-Q122 HydrophobicContact CD1-CG 4.24Å; Y118-Q122 HydrophobicContact CD2-CG 4.19Å; Y118-Q122 HydrophobicContact CE1-CB 4.48Å; Y118-Q122 HydrophobicContact CE1-CG 4.06Å; Y118-Q122 HydrophobicContact CE2-CG 3.99Å; Y118-Q122 HydrophobicContact CG-CG 4.32Å; Y118-Q122 VanDerWaalsContact O-CB 3.25Å; Y118-Q122 WeakPolarHBondContact O-CB 3.18Å; Y118-Q122 WeakPolarHBondContact O-CG 3.41Å; Y118-Q122 PolarHBondContact O-N 3.39Å
123L88.5Confident86.7Confident91 Ų9172.2 Ų72.248%0.47638%0.377SS..THydrogen-bonded Turntrans-119.2-67.6-178.2-72.7144.4000111.3L119 I127 V263 L267L119-L123 HydrophobicContact CD2-CD1 3.52Å; L119-L123 WeakPolarHBondContact O-CB 3.25Å; L119-L123 PolarHBondContact O-N 3.45Å; L123-I127 HydrophobicContact CB-CD1 3.55Å; L123-I127 HydrophobicContact CD1-CD1 4.16Å; L123-I127 HydrophobicContact CG-CD1 4.46Å; L123-V263 HydrophobicContact CD1-CG1 3.95Å; L123-L267 HydrophobicContact CD1-CD1 3.82Å; L123-L267 HydrophobicContact CG-CD1 4.33Å
124S92.5Very high88.2Confident45 Ų4564.6 Ų64.632%0.31535%0.351SS..  trans-169.8137.4-179178.30000112.5L119 A120 A126 I127L119-S124 PolarHBondContact O-N 3.43Å; A120-S124 WeakPolarHBondContact CA-O 3.37Å; A120-S124 CarbonylContact O-C 3.16Å; A120-S124 VanDerWaalsContact O-C 3.31Å; S124-A126 PolarHBondContact O-N 3.36Å; S124-A126 VanDerWaalsContact O-N 3.17Å; S124-A126 WeakPolarHBondContact OG-CB 3.46Å; S124-A126 PolarHBondContact OG-N 3.32Å; S124-A126 VanDerWaalsContact OG-N 3.14Å; S124-I127 PolarHBondContact O-N 3Å
125P91.3Very high89.5Confident92 Ų9265.3 Ų65.360%0.59736%0.355SS*.THydrogen-bonded Turntrans-65.4-14.3172.229.2-35.8000113.1I127 P128 V129P125-I127 PolarHBondContact O-N 2.93Å; P125-P128 VanDerWaalsContact O-CD 3.3Å; P125-P128 WeakPolarHBondContact O-CD 3.22Å; P125-P128 WeakPolarHBondContact O-CG 3.48Å; P125-V129 WeakPolarHBondContact O-CG2 3.44Å
126A91.9Very high90.5Very high36 Ų3670 Ų7030%0.29838%0.38SS..Hα-helixtrans-65.1-27.4175.300000112.5S124 V129 F130S124-A126 PolarHBondContact O-N 3.36Å; S124-A126 VanDerWaalsContact O-N 3.17Å; S124-A126 WeakPolarHBondContact OG-CB 3.46Å; S124-A126 PolarHBondContact OG-N 3.32Å; S124-A126 VanDerWaalsContact OG-N 3.14Å; A126-V129 WeakPolarHBondContact O-CB 3.34Å; A126-V129 PolarHBondContact O-N 3.31Å; A126-F130 HydrophobicContact CB-CD2 4.1Å; A126-F130 HydrophobicContact CB-CE2 3.97Å; A126-F130 WeakPolarHBondContact O-CD2 3.44Å; A126-F130 PolarHBondContact O-N 2.97Å
127I91.9Very high91.4Very high18 Ų1872.3 Ų72.39%0.09238%0.384CS..Hα-helixtrans-57.6-59-176.7-64.6165.1000112.2L119 L123 S124 P125 V129 F130 A131 Y256 F260L119-I127 HydrophobicContact CB-CD1 4.46Å; L123-I127 HydrophobicContact CB-CD1 3.55Å; L123-I127 HydrophobicContact CD1-CD1 4.16Å; L123-I127 HydrophobicContact CG-CD1 4.46Å; S124-I127 PolarHBondContact O-N 3Å; P125-I127 PolarHBondContact O-N 2.93Å; I127-V129 PolarHBondContact O-N 3.28Å; I127-F130 PolarHBondContact O-N 3.21Å; I127-A131 PolarHBondContact O-N 2.87Å; I127-A131 VanDerWaalsContact O-N 3.09Å; I127-Y256 WeakPolarHBondContact CA-OH 3.42Å; I127-Y256 HydrophobicContact CG2-CE1 4.22Å; I127-Y256 WeakPolarHBondContact CG2-OH 3.39Å; I127-Y256 PolarHBondContact O-OH 3.19Å; I127-F260 HydrophobicContact CD1-CD1 4.11Å; I127-F260 HydrophobicContact CD1-CE1 3.49Å; I127-F260 VanDerWaalsContact CD1-CE1 3.49Å; I127-F260 HydrophobicContact CD1-CZ 4.15Å; I127-F260 HydrophobicContact CG1-CD1 4.5Å; I127-F260 HydrophobicContact CG1-CE1 3.78Å; I127-F260 HydrophobicContact CG1-CZ 3.93Å; I127-F260 HydrophobicContact CG2-CD1 3.86Å; I127-F260 HydrophobicContact CG2-CD2 4.24Å; I127-F260 HydrophobicContact CG2-CE1 3.92Å; I127-F260 HydrophobicContact CG2-CE2 4.32Å; I127-F260 HydrophobicContact CG2-CG 4.03Å; I127-F260 HydrophobicContact CG2-CZ 4.15Å
128P91.3Very high92Very high37 Ų3764.2 Ų64.224%0.2436%0.355CS..Hα-helixtrans-64.4-27.3177.625.5-36.1000113.2C116 A120 P125 A132C116-P128 HydrophobicContact CB-CB 4.3Å; A120-P128 HydrophobicContact CB-CG 4.19Å; P125-P128 VanDerWaalsContact O-CD 3.3Å; P125-P128 WeakPolarHBondContact O-CD 3.22Å; P125-P128 WeakPolarHBondContact O-CG 3.48Å; P128-A132 WeakPolarHBondContact O-CB 3.49Å; P128-A132 PolarHBondContact O-N 3.31Å
129V92.8Very high92.8Very high83 Ų8365.4 Ų65.450%0.50336%0.363SS..Hα-helixtrans-66.7-47.7176.3176.50000110.5P125 A126 I127 A131 A132 M133P125-V129 WeakPolarHBondContact O-CG2 3.44Å; A126-V129 WeakPolarHBondContact O-CB 3.34Å; A126-V129 PolarHBondContact O-N 3.31Å; I127-V129 PolarHBondContact O-N 3.28Å; V129-A131 PolarHBondContact O-N 3.42Å; V129-A132 PolarHBondContact O-N 2.71Å; V129-M133 HydrophobicContact CG1-CE 4.19Å; V129-M133 WeakPolarHBondContact O-CG 3.39Å; V129-M133 PolarHBondContact O-N 3.46Å
130F95.1Very high93.5Very high111 Ų11167.2 Ų67.249%0.48738%0.38SS..Hα-helixtrans-62.2-42.4175.6-79-67.1000112.4A126 I127 A132 M133 L134 Y256A126-F130 HydrophobicContact CB-CD2 4.1Å; A126-F130 HydrophobicContact CB-CE2 3.97Å; A126-F130 WeakPolarHBondContact O-CD2 3.44Å; A126-F130 PolarHBondContact O-N 2.97Å; I127-F130 PolarHBondContact O-N 3.21Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 3.48Å; F130-M133 HydrophobicContact CB-CE 4.43Å; F130-M133 HydrophobicContact CD1-CE 3.25Å; F130-M133 HydrophobicContact CE1-CE 3.58Å; F130-M133 HydrophobicContact CG-CE 3.96Å; F130-M133 PolarHBondContact O-N 3.29Å; F130-L134 WeakPolarHBondContact O-CG 3.37Å; F130-L134 PolarHBondContact O-N 2.92Å; F130-Y256 HydrophobicContact CB-CE2 4.35Å
131A94Very high94.1Very high25 Ų2566.5 Ų66.521%0.20737%0.373CS..Hα-helixtrans-59.2-45.1174.900000111.9I127 V129 L134 F135 Y256I127-A131 PolarHBondContact O-N 2.87Å; I127-A131 VanDerWaalsContact O-N 3.09Å; V129-A131 PolarHBondContact O-N 3.42Å; A131-L134 PolarHBondContact O-N 3.5Å; A131-F135 WeakPolarHBondContact O-CB 3.37Å; A131-F135 PolarHBondContact O-N 3.04Å; A131-Y256 HydrophobicContact CB-CD1 4.17Å; A131-Y256 HydrophobicContact CB-CE1 3.85Å
132A94.9Very high94.6Very high48 Ų4863.3 Ų63.340%0.39735%0.352SS..Hα-helixtrans-64-41.6177.600000112P128 V129 F130 F135 L136P128-A132 WeakPolarHBondContact O-CB 3.49Å; P128-A132 PolarHBondContact O-N 3.31Å; V129-A132 PolarHBondContact O-N 2.71Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 3.48Å; A132-F135 PolarHBondContact O-N 2.91Å; A132-L136 WeakPolarHBondContact O-CB 3.32Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.15Å; A132-L136 PolarHBondContact O-N 2.94Å
133M96.8Very high95.3Very high96 Ų9662.1 Ų62.147%0.47335%0.348SS..Hα-helixtrans-62-46.7176.1-71.8-170.8-62.100112V129 F130 F135 L136 F137V129-M133 HydrophobicContact CG1-CE 4.19Å; V129-M133 WeakPolarHBondContact O-CG 3.39Å; V129-M133 PolarHBondContact O-N 3.46Å; F130-M133 HydrophobicContact CB-CE 4.43Å; F130-M133 HydrophobicContact CD1-CE 3.25Å; F130-M133 HydrophobicContact CE1-CE 3.58Å; F130-M133 HydrophobicContact CG-CE 3.96Å; F130-M133 PolarHBondContact O-N 3.29Å; M133-F135 VanDerWaalsContact C-N 3.34Å; M133-F135 PolarHBondContact O-N 3.41Å; M133-L136 PolarHBondContact O-N 2.88Å; M133-F137 WeakPolarHBondContact O-CB 2.76Å; M133-F137 PolarHBondContact O-N 3.34Å
134L96.9Very high95.7Very high45 Ų4564 Ų6424%0.23635%0.349CS..Hα-helixtrans-62-42.2176.5-74.5173.8000111.7F130 A131 F137 S138 L253 Y256F130-L134 WeakPolarHBondContact O-CG 3.37Å; F130-L134 PolarHBondContact O-N 2.92Å; A131-L134 PolarHBondContact O-N 3.5Å; L134-F137 PolarHBondContact O-N 2.89Å; L134-S138 WeakPolarHBondContact O-CB 3.32Å; L134-S138 PolarHBondContact O-N 3.48Å; L134-L253 HydrophobicContact CB-CB 4.33Å; L134-L253 HydrophobicContact CB-CD1 3.94Å; L134-Y256 HydrophobicContact CD1-CD2 4.46Å; L134-Y256 HydrophobicContact CD1-CG 4.39Å
135F97.2Very high96Very high105 Ų10561.9 Ų61.946%0.46133%0.334SS..Hα-helixtrans-61.5-48.6176175-98000112.1A131 A132 M133 F137 S138 M139 L253A131-F135 WeakPolarHBondContact O-CB 3.37Å; A131-F135 PolarHBondContact O-N 3.04Å; A132-F135 PolarHBondContact O-N 2.91Å; M133-F135 VanDerWaalsContact C-N 3.34Å; M133-F135 PolarHBondContact O-N 3.41Å; F135-F137 VanDerWaalsContact C-N 3.32Å; F135-F137 PolarHBondContact O-N 3.43Å; F135-S138 PolarHBondContact O-N 3.07Å; F135-M139 HydrophobicContact CE2-CE 4.4Å; F135-M139 HydrophobicContact CZ-CE 4.04Å; F135-M139 WeakPolarHBondContact O-CB 3.25Å; F135-M139 PolarHBondContact O-N 3.47Å; F135-L253 HydrophobicContact CB-CD2 4.14Å; F135-L253 HydrophobicContact CD2-CD2 4.2Å
136L98.3Very high96.3Very high113 Ų11358.7 Ų58.759%0.59231%0.314SS*.Hα-helixtrans-63.8-39.4178.9-70.2173.4000111.6A132 M133 M139 A140A132-L136 WeakPolarHBondContact O-CB 3.32Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.15Å; A132-L136 PolarHBondContact O-N 2.94Å; M133-L136 PolarHBondContact O-N 2.88Å; L136-M139 PolarHBondContact O-N 3.46Å; L136-A140 VanDerWaalsContact O-CB 3.3Å; L136-A140 WeakPolarHBondContact O-CB 3.13Å; L136-A140 PolarHBondContact O-N 3.36Å
137F98.4Very high96.6Very high101 Ų10164.6 Ų64.644%0.44333%0.333SS..Hα-helixtrans-65.9-43.3175.5-178.4-97000112.2M133 L134 F135 A140 T141 L245 S249M133-F137 WeakPolarHBondContact O-CB 2.76Å; M133-F137 PolarHBondContact O-N 3.34Å; L134-F137 PolarHBondContact O-N 2.89Å; F135-F137 VanDerWaalsContact C-N 3.32Å; F135-F137 PolarHBondContact O-N 3.43Å; F137-A140 PolarHBondContact O-N 3.24Å; F137-T141 HydrophobicContact CD1-CG2 4.43Å; F137-T141 HydrophobicContact CE1-CG2 3.99Å; F137-T141 HydrophobicContact CE2-CG2 4.24Å; F137-T141 HydrophobicContact CZ-CG2 3.89Å; F137-T141 WeakPolarHBondContact O-CG2 3.36Å; F137-T141 PolarHBondContact O-N 3.16Å; F137-T141 PolarHBondContact O-OG1 2.92Å; F137-L245 HydrophobicContact CE1-CB 4.49Å; F137-L245 HydrophobicContact CZ-CB 4.43Å; F137-S249 VanDerWaalsContact CD1-CB 3.43Å
138S98.3Very high96.7Very high8 Ų864.9 Ų64.96%0.05634%0.337CS..Hα-helixtrans-62.8-43.5175.3-173.50000111.3L134 F135 T141 L142 S249L134-S138 WeakPolarHBondContact O-CB 3.32Å; L134-S138 PolarHBondContact O-N 3.48Å; F135-S138 PolarHBondContact O-N 3.07Å; S138-T141 WeakPolarHBondContact CA-OG1 3.34Å; S138-T141 PolarHBondContact O-N 3.05Å; S138-T141 PolarHBondContact O-OG1 2.96Å; S138-L142 WeakPolarHBondContact O-CB 3.34Å; S138-L142 PolarHBondContact O-N 3Å; S138-S249 WeakPolarHBondContact CA-OG 3.3Å
139M98.1Very high96.9Very high72 Ų7263.5 Ų63.536%0.35533%0.327SS..Hα-helixtrans-62.8-45.1175.1-174.657.263.900111.7F135 L136 T141 L142 L143F135-M139 HydrophobicContact CE2-CE 4.4Å; F135-M139 HydrophobicContact CZ-CE 4.04Å; F135-M139 WeakPolarHBondContact O-CB 3.25Å; F135-M139 PolarHBondContact O-N 3.47Å; L136-M139 PolarHBondContact O-N 3.46Å; M139-T141 PolarHBondContact O-N 3.11Å; M139-L142 PolarHBondContact O-N 3.23Å; M139-L142 HydrophobicContact SD-CD2 4.27Å; M139-L143 HydrophobicContact CG-CD1 3.95Å; M139-L143 HydrophobicContact CG-CG 4.41Å; M139-L143 WeakPolarHBondContact O-CB 3.43Å; M139-L143 WeakPolarHBondContact O-CG 3.46Å; M139-L143 PolarHBondContact O-N 3.28Å; M139-L143 HydrophobicContact SD-CD1 4.2Å; M139-L143 HydrophobicContact SD-CD2 4.47Å; M139-L143 HydrophobicContact SD-CG 4.13Å
140A98.4Very high97.1Very high48 Ų4859.9 Ų59.940%0.39731%0.306SS..Hα-helixtrans-60.9-44178.200000111.9L136 F137 R144L136-A140 VanDerWaalsContact O-CB 3.3Å; L136-A140 WeakPolarHBondContact O-CB 3.13Å; L136-A140 PolarHBondContact O-N 3.36Å; F137-A140 PolarHBondContact O-N 3.24Å; A140-R144 WeakPolarHBondContact O-CB 3.15Å; A140-R144 WeakPolarHBondContact O-CG 3.33Å; A140-R144 PolarHBondContact O-N 2.79Å
141T98.3Very high97.2Very high9 Ų954.7 Ų54.76%0.05528%0.284CS..Hα-helixtrans-70.9-35178.849.50000112.7F137 S138 M139 T145 L245 F246F137-T141 HydrophobicContact CD1-CG2 4.43Å; F137-T141 HydrophobicContact CE1-CG2 3.99Å; F137-T141 HydrophobicContact CE2-CG2 4.24Å; F137-T141 HydrophobicContact CZ-CG2 3.89Å; F137-T141 WeakPolarHBondContact O-CG2 3.36Å; F137-T141 PolarHBondContact O-N 3.16Å; F137-T141 PolarHBondContact O-OG1 2.92Å; S138-T141 WeakPolarHBondContact CA-OG1 3.34Å; S138-T141 PolarHBondContact O-N 3.05Å; S138-T141 PolarHBondContact O-OG1 2.96Å; M139-T141 PolarHBondContact O-N 3.11Å; T141-T145 WeakPolarHBondContact O-CB 3.47Å; T141-T145 PolarHBondContact O-N 2.9Å; T141-T145 PolarHBondContact O-OG1 2.9Å; T141-L245 HydrophobicContact CG2-CB 3.88Å; T141-F246 VanDerWaalsContact OG1-CA 3.3Å; T141-F246 WeakPolarHBondContact OG1-CA 3.38Å
142L98.1Very high97.3Very high41 Ų4154.5 Ų54.522%0.21528%0.28CS..Hα-helixtrans-58.3-56.2169.5174.360.6000110.9S138 M139 R144 T145 S146 V231 F246S138-L142 WeakPolarHBondContact O-CB 3.34Å; S138-L142 PolarHBondContact O-N 3Å; M139-L142 PolarHBondContact O-N 3.23Å; M139-L142 HydrophobicContact SD-CD2 4.27Å; L142-R144 VanDerWaalsContact C-N 3.29Å; L142-R144 PolarHBondContact O-N 3.28Å; L142-T145 WeakPolarHBondContact O-CA 3.33Å; L142-T145 WeakPolarHBondContact O-CB 3.33Å; L142-T145 PolarHBondContact O-N 2.93Å; L142-S146 PolarHBondContact O-N 3.23Å; L142-S146 PolarHBondContact O-OG 3.03Å; L142-V231 HydrophobicContact CD1-CG1 4.02Å; L142-F246 HydrophobicContact CB-CD2 3.7Å; L142-F246 HydrophobicContact CB-CE2 3.8Å; L142-F246 HydrophobicContact CB-CG 4.28Å; L142-F246 HydrophobicContact CB-CZ 4.44Å; L142-F246 HydrophobicContact CD1-CD1 4.43Å; L142-F246 HydrophobicContact CD1-CD2 4.47Å; L142-F246 HydrophobicContact CD1-CE1 4.03Å; L142-F246 HydrophobicContact CD1-CE2 4.09Å; L142-F246 HydrophobicContact CD1-CZ 3.85Å; L142-F246 HydrophobicContact CD2-CE2 4.34Å; L142-F246 HydrophobicContact CG-CE2 4.29Å
143L98.3Very high97.4Very high80 Ų8053.4 Ų53.442%0.41927%0.267SS..Hα-helixtrans-59.9-41.3-178.9-65.5169.2000111.1M139 T145 S146 F147M139-L143 HydrophobicContact CG-CD1 3.95Å; M139-L143 HydrophobicContact CG-CG 4.41Å; M139-L143 WeakPolarHBondContact O-CB 3.43Å; M139-L143 WeakPolarHBondContact O-CG 3.46Å; M139-L143 PolarHBondContact O-N 3.28Å; M139-L143 HydrophobicContact SD-CD1 4.2Å; M139-L143 HydrophobicContact SD-CD2 4.47Å; M139-L143 HydrophobicContact SD-CG 4.13Å; L143-T145 VanDerWaalsContact C-N 3.32Å; L143-T145 PolarHBondContact O-N 3.12Å; L143-S146 PolarHBondContact O-N 2.89Å; L143-F147 HydrophobicContact CB-CD2 4.28Å; L143-F147 HydrophobicContact CB-CE2 4.45Å; L143-F147 HydrophobicContact CD2-CD2 4.35Å; L143-F147 HydrophobicContact CD2-CE2 3.68Å; L143-F147 WeakPolarHBondContact O-CD2 3.21Å; L143-F147 PolarHBondContact O-N 3.18Å
144R97.6Very high97.2Very high131 Ų13151.8 Ų51.849%0.49426%0.264SS..Hα-helixtrans-61-41.1174.1-74-75.6-70.5-167.9-5111.6A140 L142 S148 Y242A140-R144 WeakPolarHBondContact O-CB 3.15Å; A140-R144 WeakPolarHBondContact O-CG 3.33Å; A140-R144 PolarHBondContact O-N 2.79Å; L142-R144 VanDerWaalsContact C-N 3.29Å; L142-R144 PolarHBondContact O-N 3.28Å; R144-S148 WeakPolarHBondContact O-CB 3.46Å; R144-S148 PolarHBondContact O-N 3.03Å; R144-S148 VanDerWaalsContact O-N 3.13Å; R144-S148 PolarHBondContact O-OG 2.89Å; R144-Y242 HydrophobicContact CB-CD1 4.26Å; R144-Y242 HydrophobicContact CB-CD2 4.42Å; R144-Y242 HydrophobicContact CB-CG 4.04Å; R144-Y242 PolarHBondContact NH2-OH 3.16Å
145T98Very high97.1Very high0 Ų055.3 Ų55.30%027%0.274CS..Hα-helixtrans-65.8-46.7177.5-56.20000111.4T141 L142 L143 V231 N239 Y242 F243T141-T145 WeakPolarHBondContact O-CB 3.47Å; T141-T145 PolarHBondContact O-N 2.9Å; T141-T145 PolarHBondContact O-OG1 2.9Å; L142-T145 WeakPolarHBondContact O-CA 3.33Å; L142-T145 WeakPolarHBondContact O-CB 3.33Å; L142-T145 PolarHBondContact O-N 2.93Å; L143-T145 VanDerWaalsContact C-N 3.32Å; L143-T145 PolarHBondContact O-N 3.12Å; T145-V231 HydrophobicContact CG2-CB 4.29Å; T145-V231 HydrophobicContact CG2-CG1 4.06Å; T145-V231 HydrophobicContact CG2-CG2 4.36Å; T145-N239 PolarHBondContact O-ND2 3.4Å; T145-Y242 VanDerWaalsContact OG1-CB 3.29Å; T145-Y242 WeakPolarHBondContact OG1-CB 3.15Å; T145-Y242 PolarHBondContact OG1-O 3.41Å; T145-F243 HydrophobicContact CG2-CB 3.72Å; T145-F243 HydrophobicContact CG2-CD2 4.27Å; T145-F243 HydrophobicContact CG2-CG 4.49Å; T145-F243 WeakPolarHBondContact OG1-CA 3.45Å; T145-F243 PolarHBondContact OG1-N 3.24Å
146S98.1Very high96.8Very high26 Ų2651.1 Ų51.118%0.18226%0.259CS..Hα-helixtrans-63.4-45.9-178.7-67.60000113L142 L143 V231 N233L142-S146 PolarHBondContact O-N 3.23Å; L142-S146 PolarHBondContact O-OG 3.03Å; L143-S146 PolarHBondContact O-N 2.89Å; S146-V231 VanDerWaalsContact CB-O 3.28Å; S146-V231 WeakPolarHBondContact CB-O 3.23Å; S146-V231 PolarHBondContact OG-O 3.01Å; S146-N233 PolarHBondContact O-ND2 3.18Å
147F96.9Very high96.4Very high159 Ų15950.5 Ų50.570%0.69726%0.256SS*.Hα-helixtrans-98.91.4-172.2-59.3-61.5000114.7L143L143-F147 HydrophobicContact CB-CD2 4.28Å; L143-F147 HydrophobicContact CB-CE2 4.45Å; L143-F147 HydrophobicContact CD2-CD2 4.35Å; L143-F147 HydrophobicContact CD2-CE2 3.68Å; L143-F147 WeakPolarHBondContact O-CD2 3.21Å; L143-F147 PolarHBondContact O-N 3.18Å
148S95.2Very high96.1Very high24 Ų2450.4 Ų50.417%0.16827%0.265CS..SBendtrans-82.6147.5172.6-67.80000111.4R144 P150 N233R144-S148 WeakPolarHBondContact O-CB 3.46Å; R144-S148 PolarHBondContact O-N 3.03Å; R144-S148 VanDerWaalsContact O-N 3.13Å; R144-S148 PolarHBondContact O-OG 2.89Å; S148-P150 WeakPolarHBondContact O-CD 3.25Å; S148-N233 PolarHBondContact O-ND2 3.35Å
149D96.3Very high95.7Very high8 Ų855.4 Ų55.44%0.04329%0.291CS..  trans-62.4123.3164.6163.824.6000108.5G151 V152 R238 S353D149-G151 PolarHBondContact O-N 2.92Å; D149-G151 PolarHBondContact OD1-N 3.44Å; D149-V152 PolarHBondContact OD1-N 3.4Å; D149-R238 WeakPolarHBondContact O-CB 3.36Å; D149-R238 VanDerWaalsContact OD2-CD 3.24Å; D149-R238 WeakPolarHBondContact OD2-CD 3.41Å; D149-R238 IonicContact OD2-CZ 3.02Å; D149-R238 IonicContact OD2-NE 3.79Å; D149-R238 PolarHBondContact OD2-NE 2.86Å; D149-S353 WeakPolarHBondContact OD2-CB 3.24Å; D149-S353 PolarHBondContact OD2-OG 3.04Å
150P97Very high95.2Very high7 Ų755 Ų555%0.04529%0.288CS..  trans-74.2-11.7-179.731.4-37.1000113.8S148 V152 V221 C234 G236 K237 R238S148-P150 WeakPolarHBondContact O-CD 3.25Å; P150-V152 HydrophobicContact CG-CG2 3.97Å; P150-V221 HydrophobicContact CB-CG1 4Å; P150-V221 HydrophobicContact CG-CG1 4.25Å; P150-V221 HydrophobicContact CG-CG2 4.33Å; P150-C234 HydrophobicContact CB-CB 4.07Å; P150-C234 WeakPolarHBondContact CB-O 3.31Å; P150-C234 HydrophobicContact CG-CB 4.05Å; P150-G236 CarbonylContact O-C 3.43Å; P150-G236 WeakPolarHBondContact O-CA 3.35Å; P150-K237 PolarHBondContact O-N 2.96Å; P150-K237 VanDerWaalsContact O-N 3.1Å; P150-R238 PolarHBondContact O-N 2.9Å
151G96.3Very high94.8Very high3 Ų353.2 Ų53.23%0.03127%0.274CS..  trans113.641.2-168.200000111.5D149 I153 V221 E222D149-G151 PolarHBondContact O-N 2.92Å; D149-G151 PolarHBondContact OD1-N 3.44Å; G151-I153 PolarHBondContact O-N 3.35Å; G151-V221 CarbonylContact O-C 3.59Å; G151-V221 WeakPolarHBondContact O-CA 3.34Å; G151-E222 PolarHBondContact O-N 2.87Å
152V96.9Very high94.3Very high21 Ų2155.6 Ų55.613%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-64.1130.4177.5175.30000109.6D149 P150 N219 C220 V354 L355D149-V152 PolarHBondContact OD1-N 3.4Å; P150-V152 HydrophobicContact CG-CG2 3.97Å; V152-N219 HydrophobicContact CG1-CB 3.97Å; V152-C220 WeakPolarHBondContact CA-O 3.32Å; V152-V354 VanDerWaalsContact O-CG2 3.25Å; V152-V354 WeakPolarHBondContact O-CG2 3.28Å; V152-L355 HydrophobicContact CB-CD1 3.91Å; V152-L355 HydrophobicContact CB-CD2 4.32Å; V152-L355 HydrophobicContact CB-CG 4.33Å; V152-L355 HydrophobicContact CG1-CD1 4.36Å; V152-L355 HydrophobicContact CG1-CD2 4.11Å; V152-L355 HydrophobicContact CG2-CD1 4.43Å
153I95.6Very high93.8Very high24 Ų2458.3 Ų58.312%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-92.6125.1175.5-55.8169.4000107.5G151 I205 P208 A211 C220 E222G151-I153 PolarHBondContact O-N 3.35Å; I153-I205 HydrophobicContact CB-CD1 4.19Å; I153-I205 HydrophobicContact CG2-CD1 3.59Å; I153-P208 HydrophobicContact CD1-CG 3.9Å; I153-A211 HydrophobicContact CD1-CB 3.72Å; I153-C220 HydrophobicContact CB-CB 4.24Å; I153-C220 HydrophobicContact CD1-CB 4.31Å; I153-C220 PolarHBondContact N-O 2.94Å; I153-E222 HydrophobicContact CD1-CB 4.26Å; I153-E222 HydrophobicContact CG1-CB 4.29Å
154P93.9Very high93.3Very high63 Ų6354.9 Ų54.941%0.40929%0.287SS..PPolyproline II helixtrans-54.2146.4175.1-25.133.9000111.6V354 L355P154-V354 HydrophobicContact CG-CB 4.47Å; P154-V354 HydrophobicContact CG-CG2 4.11Å; P154-L355 HydrophobicContact CG-CD2 4.45Å
155R93.3Very high92.8Very high119 Ų11951 Ų5145%0.44927%0.274SS..PPolyproline II helixtrans-68.9150171.4-59-178.8-178.5176.9-7.2108.5C203 D218R155-C203 WeakPolarHBondContact CA-O 3.41Å; R155-C203 HydrophobicContact CG-CB 4.17Å; R155-D218 IonicContact CZ-OD2 3.61Å; R155-D218 VanDerWaalsContact NH2-CG 3.31Å; R155-D218 PolarHBondContact NH2-O 3.04Å; R155-D218 IonicContact NH2-OD1 3.6Å; R155-D218 IonicContact NH2-OD2 3.82Å; R155-D218 PolarHBondContact NH2-OD2 3.03Å
156A91.2Very high92.2Very high17 Ų1756.3 Ų56.314%0.1430%0.3CS..PPolyproline II helixtrans-59.5140.5173.700000109.7E160 A161 C203 K204 I205A156-E160 HydrophobicContact CB-CB 4.06Å; A156-A161 HydrophobicContact CB-CB 4.05Å; A156-C203 PolarHBondContact N-O 3.36Å; A156-K204 HydrophobicContact CB-CB 4.04Å; A156-K204 WeakPolarHBondContact CB-O 3.4Å; A156-I205 HydrophobicContact CB-CG2 3.82Å
157L90.9Very high91.5Very high99 Ų9958.1 Ų58.152%0.51831%0.306SS..PPolyproline II helixtrans-62.2158.1169.4-67.8168.8000110.1D159 E160 A161L157-D159 VanDerWaalsContact C-N 3.25Å; L157-D159 WeakPolarHBondContact CB-OD1 3.32Å; L157-D159 PolarHBondContact O-N 3.31Å; L157-E160 HydrophobicContact CB-CB 4.32Å; L157-E160 HydrophobicContact CB-CG 4.06Å; L157-E160 PolarHBondContact N-OE2 2.66Å; L157-E160 PolarHBondContact O-N 2.99Å; L157-E160 VanDerWaalsContact O-N 3.16Å; L157-A161 VanDerWaalsContact O-CB 3.29Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 2.86Å
158P90.9Very high90.9Very high100 Ų10051 Ų5165%0.64928%0.275SS*.Hα-helixtrans-56.3-38.3-176.9-27.235.7000114A162P158-A162 WeakPolarHBondContact O-CB 3.35Å; P158-A162 PolarHBondContact O-N 2.85Å
159D90Very high90.3Very high112 Ų11255.4 Ų55.460%0.59929%0.293SS*.Hα-helixtrans-69.4-45.3175.459.4-28.7000112.3L157 A161 A162 F163L157-D159 VanDerWaalsContact C-N 3.25Å; L157-D159 WeakPolarHBondContact CB-OD1 3.32Å; L157-D159 PolarHBondContact O-N 3.31Å; D159-A161 VanDerWaalsContact C-N 3.34Å; D159-A161 PolarHBondContact O-N 3Å; D159-A162 PolarHBondContact O-N 2.84Å; D159-F163 WeakPolarHBondContact O-CB 3.11Å; D159-F163 PolarHBondContact O-N 3.39Å
160E88.9Confident89.4Confident63 Ų6358.4 Ų58.429%0.29432%0.319SS..Hα-helixtrans-60.7-43.6173.8-67.1178.2157.800111.6A156 L157 F163 I164A156-E160 HydrophobicContact CB-CB 4.06Å; L157-E160 HydrophobicContact CB-CB 4.32Å; L157-E160 HydrophobicContact CB-CG 4.06Å; L157-E160 PolarHBondContact N-OE2 2.66Å; L157-E160 PolarHBondContact O-N 2.99Å; L157-E160 VanDerWaalsContact O-N 3.16Å; E160-F163 PolarHBondContact O-N 2.88Å; E160-I164 WeakPolarHBondContact O-CB 3.41Å; E160-I164 WeakPolarHBondContact O-CD1 3.4Å; E160-I164 WeakPolarHBondContact O-CG1 3.25Å; E160-I164 PolarHBondContact O-N 2.89Å
161A89.9Confident88.3Confident11 Ų1162.2 Ų62.29%0.09134%0.342CS..Hα-helixtrans-63.3-45.7178.100000111A156 L157 D159 F163 I164 E165 K204A156-A161 HydrophobicContact CB-CB 4.05Å; L157-A161 VanDerWaalsContact O-CB 3.29Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 2.86Å; D159-A161 VanDerWaalsContact C-N 3.34Å; D159-A161 PolarHBondContact O-N 3Å; A161-F163 VanDerWaalsContact C-N 3.34Å; A161-F163 PolarHBondContact O-N 3Å; A161-I164 PolarHBondContact O-N 2.96Å; A161-E165 WeakPolarHBondContact O-CB 3.36Å; A161-E165 WeakPolarHBondContact O-CG 3.45Å; A161-E165 PolarHBondContact O-N 3.13Å; A161-K204 HydrophobicContact CB-CB 3.69Å; A161-K204 HydrophobicContact CB-CG 4.16Å
162A87.6Confident87.1Confident59 Ų5963.6 Ų63.649%0.48835%0.349SS..Hα-helixtrans-61.3-43.3176.300000111.5P158 D159 E165 M166P158-A162 WeakPolarHBondContact O-CB 3.35Å; P158-A162 PolarHBondContact O-N 2.85Å; D159-A162 PolarHBondContact O-N 2.84Å; A162-E165 PolarHBondContact O-N 3.31Å; A162-M166 WeakPolarHBondContact O-CB 3.25Å; A162-M166 PolarHBondContact O-N 3.42Å
163F88.2Confident85.6Confident99 Ų9965.7 Ų65.743%0.43438%0.375SS..Hα-helixtrans-62-46.9176.2179.3-94.6000112.1Y16 D159 E160 A161 E165 M166 E167Y16-F163 HydrophobicContact CE1-CD1 4.17Å; Y16-F163 HydrophobicContact CE1-CE1 4.03Å; D159-F163 WeakPolarHBondContact O-CB 3.11Å; D159-F163 PolarHBondContact O-N 3.39Å; E160-F163 PolarHBondContact O-N 2.88Å; A161-F163 VanDerWaalsContact C-N 3.34Å; A161-F163 PolarHBondContact O-N 3Å; F163-E165 VanDerWaalsContact C-N 3.32Å; F163-E165 PolarHBondContact O-N 2.86Å; F163-M166 HydrophobicContact CD2-CE 3.92Å; F163-M166 HydrophobicContact CE2-CE 4.06Å; F163-M166 PolarHBondContact O-N 3.48Å; F163-E167 PolarHBondContact O-N 2.72Å
164I86.4Confident84Confident8 Ų868.7 Ų68.74%0.04140%0.403CS..Hα-helixtrans-62.3-41.8178.7-71.1164.7000110.8E160 A161 E167 I168 Y199 F206E160-I164 WeakPolarHBondContact O-CB 3.41Å; E160-I164 WeakPolarHBondContact O-CD1 3.4Å; E160-I164 WeakPolarHBondContact O-CG1 3.25Å; E160-I164 PolarHBondContact O-N 2.89Å; A161-I164 PolarHBondContact O-N 2.96Å; I164-E167 PolarHBondContact O-N 3.41Å; I164-I168 HydrophobicContact CG2-CD1 3.76Å; I164-I168 VanDerWaalsContact O-CD1 3.31Å; I164-I168 WeakPolarHBondContact O-CD1 3.48Å; I164-I168 WeakPolarHBondContact O-CG1 3.32Å; I164-I168 PolarHBondContact O-N 2.78Å; I164-Y199 HydrophobicContact CG2-CD2 4.15Å; I164-Y199 HydrophobicContact CG2-CE2 3.55Å; I164-F206 HydrophobicContact CG2-CD2 3.96Å; I164-F206 HydrophobicContact CG2-CE2 3.66Å
165E87.6Confident82.6Confident50 Ų5067.5 Ų67.523%0.23440%0.395CS..Hα-helixtrans-67.4-39178.4-71.9-174.8160.600112.1A161 A162 F163 I168 E169 Y199 K204A161-E165 WeakPolarHBondContact O-CB 3.36Å; A161-E165 WeakPolarHBondContact O-CG 3.45Å; A161-E165 PolarHBondContact O-N 3.13Å; A162-E165 PolarHBondContact O-N 3.31Å; F163-E165 VanDerWaalsContact C-N 3.32Å; F163-E165 PolarHBondContact O-N 2.86Å; E165-I168 WeakPolarHBondContact O-CB 3.38Å; E165-I168 PolarHBondContact O-N 2.96Å; E165-E169 WeakPolarHBondContact O-CB 3.46Å; E165-E169 WeakPolarHBondContact O-CG 3.24Å; E165-E169 PolarHBondContact O-N 3.32Å; E165-Y199 WeakPolarHBondContact CG-OH 3.37Å; E165-Y199 PolarHBondContact OE1-OH 3.14Å; E165-K204 VanDerWaalsContact OE1-CD 3.24Å; E165-K204 WeakPolarHBondContact OE1-CD 3.36Å; E165-K204 WeakPolarHBondContact OE1-CE 3.4Å; E165-K204 IonicContact OE1-NZ 2.76Å; E165-K204 PolarHBondContact OE1-NZ 3.06Å; E165-K204 IonicContact OE2-NZ 3.55Å
166M84.7Confident81.5Confident111 Ų11166 Ų6655%0.54740%0.401SS..Hα-helixtrans-62.4-44.7171.9-175-170.87100112.2A162 F163 I168 E169 A170A162-M166 WeakPolarHBondContact O-CB 3.25Å; A162-M166 PolarHBondContact O-N 3.42Å; F163-M166 HydrophobicContact CD2-CE 3.92Å; F163-M166 HydrophobicContact CE2-CE 4.06Å; F163-M166 PolarHBondContact O-N 3.48Å; M166-I168 VanDerWaalsContact C-N 3.26Å; M166-I168 PolarHBondContact O-N 2.93Å; M166-E169 PolarHBondContact O-N 3.05Å; M166-A170 WeakPolarHBondContact O-CB 3.45Å; M166-A170 PolarHBondContact O-N 3.08Å
167E84.3Confident80.3Confident64 Ų6475.1 Ų75.130%0.29944%0.44SS..Hα-helixtrans-58.7-41.5176.2-174.8-174.1165.100110.8F163 I164 T171 K186F163-E167 PolarHBondContact O-N 2.72Å; I164-E167 PolarHBondContact O-N 3.41Å; E167-T171 PolarHBondContact O-N 2.92Å; E167-T171 VanDerWaalsContact O-N 3.1Å; E167-T171 PolarHBondContact O-OG1 3.41Å; E167-K186 IonicContact OE1-NZ 2.64Å; E167-K186 PolarHBondContact OE1-NZ 2.96Å; E167-K186 VanDerWaalsContact OE1-NZ 3.08Å; E167-K186 IonicContact OE2-NZ 3.88Å
168I83.3Confident79.1Confident8 Ų874.6 Ų74.64%0.04146%0.459CS..Hα-helixtrans-66-44.9176.8-68.7162.5000111.1I164 E165 M166 T171 N172 R184 Y199 F206I164-I168 HydrophobicContact CG2-CD1 3.76Å; I164-I168 VanDerWaalsContact O-CD1 3.31Å; I164-I168 WeakPolarHBondContact O-CD1 3.48Å; I164-I168 WeakPolarHBondContact O-CG1 3.32Å; I164-I168 PolarHBondContact O-N 2.78Å; E165-I168 WeakPolarHBondContact O-CB 3.38Å; E165-I168 PolarHBondContact O-N 2.96Å; M166-I168 VanDerWaalsContact C-N 3.26Å; M166-I168 PolarHBondContact O-N 2.93Å; I168-T171 PolarHBondContact O-N 2.87Å; I168-N172 PolarHBondContact O-N 2.86Å; I168-N172 PolarHBondContact O-ND2 3.47Å; I168-R184 HydrophobicContact CG2-CB 4.46Å; I168-R184 HydrophobicContact CG2-CG 3.63Å; I168-Y199 HydrophobicContact CD1-CD1 4.37Å; I168-Y199 HydrophobicContact CD1-CD2 3.94Å; I168-Y199 HydrophobicContact CD1-CE1 4.4Å; I168-Y199 HydrophobicContact CD1-CE2 4.04Å; I168-Y199 HydrophobicContact CD1-CG 4.12Å; I168-F206 HydrophobicContact CD1-CE2 4Å; I168-F206 HydrophobicContact CD1-CZ 3.68Å; I168-F206 HydrophobicContact CG1-CE2 4.15Å; I168-F206 HydrophobicContact CG1-CZ 3.7Å
169E82.3Confident77.9Confident118 Ų11876.1 Ų76.155%0.55146%0.457SS*.Hα-helixtrans-66.4-41.6179.1-76.1174.9-170.600112.4E165 M166 T171 N172 G173E165-E169 WeakPolarHBondContact O-CB 3.46Å; E165-E169 WeakPolarHBondContact O-CG 3.24Å; E165-E169 PolarHBondContact O-N 3.32Å; M166-E169 PolarHBondContact O-N 3.05Å; E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 3.5Å; E169-N172 CarbonylContact O-C 3.27Å; E169-N172 WeakPolarHBondContact O-CA 3.3Å; E169-N172 WeakPolarHBondContact O-CB 3.44Å; E169-N172 PolarHBondContact O-N 3.4Å; E169-G173 PolarHBondContact O-N 3.23Å
170A78.5Confident76.5Confident71 Ų7181.9 Ų81.959%0.58747%0.47SS*.Hα-helixtrans-59.8-41.4174.300000111.6M166 N172 G173M166-A170 WeakPolarHBondContact O-CB 3.45Å; M166-A170 PolarHBondContact O-N 3.08Å; A170-N172 VanDerWaalsContact C-N 3.29Å; A170-N172 PolarHBondContact O-N 3.44Å; A170-G173 PolarHBondContact O-N 3.34Å
171T73.1Confident75.2Confident87 Ų8782.6 Ų82.653%0.53448%0.481SS..Hα-helixtrans-64.6-35.4174.5-52.30000111.7E167 I168 E169E167-T171 PolarHBondContact O-N 2.92Å; E167-T171 VanDerWaalsContact O-N 3.1Å; E167-T171 PolarHBondContact O-OG1 3.41Å; I168-T171 PolarHBondContact O-N 2.87Å; E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 3.5Å
172N71.9Confident73.9Confident31 Ų3184.5 Ų84.517%0.16649%0.492CS..Hα-helixtrans-75.7-27.9175.9-63.8-32.3000112.9I168 E169 A170 A174 V175 P181 P182I168-N172 PolarHBondContact O-N 2.86Å; I168-N172 PolarHBondContact O-ND2 3.47Å; E169-N172 CarbonylContact O-C 3.27Å; E169-N172 WeakPolarHBondContact O-CA 3.3Å; E169-N172 WeakPolarHBondContact O-CB 3.44Å; E169-N172 PolarHBondContact O-N 3.4Å; A170-N172 VanDerWaalsContact C-N 3.29Å; A170-N172 PolarHBondContact O-N 3.44Å; N172-A174 PolarHBondContact O-N 3.39Å; N172-V175 WeakPolarHBondContact O-CB 3.35Å; N172-V175 WeakPolarHBondContact O-CG2 3.46Å; N172-V175 PolarHBondContact O-N 3Å; N172-P181 HydrophobicContact CB-CB 4.33Å; N172-P182 VanDerWaalsContact OD1-CD 3.24Å; N172-P182 WeakPolarHBondContact OD1-CD 3.27Å; N172-P182 VanDerWaalsContact OD1-CG 3.28Å; N172-P182 WeakPolarHBondContact OD1-CG 3.37Å
173G64.9Low72.8Confident66 Ų6686.4 Ų86.468%0.6850%0.499SS*.Hα-helixtrans-67.4-17.6178.400000113.8E169 A170 V175E169-G173 PolarHBondContact O-N 3.23Å; A170-G173 PolarHBondContact O-N 3.34Å; G173-V175 PolarHBondContact O-N 3.27Å
174A62.5Low72.3Confident87 Ų8784.8 Ų84.872%0.71949%0.49SS*.THydrogen-bonded Turntrans-74.2-3.8169.100000113.4N172N172-A174 PolarHBondContact O-N 3.39Å
175V64.9Low72Confident38 Ų3887.5 Ų87.523%0.2350%0.504CS..SBendtrans-95.1126-178.6-174.10000109.5N172 G173 Q179 P182N172-V175 WeakPolarHBondContact O-CB 3.35Å; N172-V175 WeakPolarHBondContact O-CG2 3.46Å; N172-V175 PolarHBondContact O-N 3Å; G173-V175 PolarHBondContact O-N 3.27Å; V175-Q179 HydrophobicContact CG1-CB 3.48Å; V175-Q179 VanDerWaalsContact CG1-CB 3.48Å; V175-P182 VanDerWaalsContact CG2-CD 3.49Å; V175-P182 HydrophobicContact CG2-CG 4.16Å
176P69.9Low71.7Confident88 Ų8888.7 Ų88.757%0.57151%0.509SS*.PPolyproline II helixtrans-55.5143.8175.8-25.334000113G178 Q179P176-G178 PolarHBondContact O-N 2.86Å; P176-Q179 PolarHBondContact O-N 3.01Å
177Q64.6Low71.6Confident207 Ų20788.4 Ų88.497%0.96751%0.51SS*.THydrogen-bonded Turntrans-54.5126.1175.9-79.1-177.3-2300110.7
178G65.9Low71.4Confident88 Ų8888.9 Ų88.991%0.90751%0.511SS*.THydrogen-bonded Turntrans106.5-11.5-17900000114.9P176P176-G178 PolarHBondContact O-N 2.86Å
179Q66.8Low71.3Confident133 Ų13394.9 Ų94.962%0.62154%0.539SS*.SBendtrans-90.6144.7169.7-96.8176.8-16.300112.2V175 P176V175-Q179 HydrophobicContact CG1-CB 3.48Å; V175-Q179 VanDerWaalsContact CG1-CB 3.48Å; P176-Q179 PolarHBondContact O-N 3.01Å
180R59.3Low71.2Confident232 Ų23290.5 Ų90.588%0.87552%0.519SS*.PPolyproline II helixtrans-63.1128.4174.1-174.9177.2-178.9153.22.2108.7
181P63Low71.1Confident78 Ų7892.9 Ų92.951%0.50652%0.522SS..PPolyproline II helixtrans-58.5142.117922.5-32.4000110.2N172N172-P181 HydrophobicContact CB-CB 4.33Å
182P61.5Low71.3Confident51 Ų5196.1 Ų96.133%0.33154%0.536SS..PPolyproline II helixtrans-58.1146.2-178.521.8-32.6000110.1N172 V175 R184N172-P182 VanDerWaalsContact OD1-CD 3.24Å; N172-P182 WeakPolarHBondContact OD1-CD 3.27Å; N172-P182 VanDerWaalsContact OD1-CG 3.28Å; N172-P182 WeakPolarHBondContact OD1-CG 3.37Å; V175-P182 VanDerWaalsContact CG2-CD 3.49Å; V175-P182 HydrophobicContact CG2-CG 4.16Å; P182-R184 PolarHBondContact O-N 2.9Å
183P65.3Low71.7Confident99 Ų9997.3 Ų97.364%0.64354%0.54SS*.PPolyproline II helixtrans-58.7133.3176.926.5-34.2000109I185P183-I185 HydrophobicContact CB-CD1 3.72Å; P183-I185 HydrophobicContact CB-CG1 3.98Å; P183-I185 HydrophobicContact CG-CD1 3.72Å; P183-I185 HydrophobicContact CG-CG1 4.29Å; P183-I185 PolarHBondContact O-N 3.47Å
184R78.2Confident72.5Confident65 Ų6599.2 Ų99.225%0.24553%0.534CS..SBendtrans-63.778.1179.8-58.2-175.7176.3-132-0.8110.7I168 P182 Y199 Y201I168-R184 HydrophobicContact CG2-CB 4.46Å; I168-R184 HydrophobicContact CG2-CG 3.63Å; P182-R184 PolarHBondContact O-N 2.9Å; R184-Y199 HydrophobicContact CB-CG 4.44Å; R184-Y199 PolarHBondContact O-N 3.22Å; R184-Y201 WeakPolarHBondContact CD-OH 3.25Å
185I79.6Confident73.4Confident65 Ų6596.5 Ų96.533%0.33351%0.508SS..EExtended strand (participates in β ladder)trans-128.2132.2-172.8-62.8175.9000109P183 K196 L197P183-I185 HydrophobicContact CB-CD1 3.72Å; P183-I185 HydrophobicContact CB-CG1 3.98Å; P183-I185 HydrophobicContact CG-CD1 3.72Å; P183-I185 HydrophobicContact CG-CG1 4.29Å; P183-I185 PolarHBondContact O-N 3.47Å; I185-K196 HydrophobicContact CG2-CB 3.54Å; I185-K196 HydrophobicContact CG2-CD 4.19Å; I185-K196 HydrophobicContact CG2-CG 3.78Å; I185-L197 WeakPolarHBondContact CA-O 3.34Å
186K81.1Confident74.3Confident75 Ų75101.3 Ų101.333%0.32653%0.526SS..EExtended strand (participates in β ladder)trans-110.7129.9172-166.9162.6-173.4150.20109E167 L197 F206E167-K186 IonicContact OE1-NZ 2.64Å; E167-K186 PolarHBondContact OE1-NZ 2.96Å; E167-K186 VanDerWaalsContact OE1-NZ 3.08Å; E167-K186 IonicContact OE2-NZ 3.88Å; K186-L197 HydrophobicContact CB-CB 4.28Å; K186-L197 PolarHBondContact N-O 3.39Å; K186-L197 VanDerWaalsContact N-O 3.08Å; K186-L197 WeakPolarHBondContact O-CB 3.47Å; K186-L197 WeakPolarHBondContact O-CG 3.42Å; K186-L197 PolarHBondContact O-N 3.07Å; K186-F206 HydrophobicContact CB-CD1 4.03Å; K186-F206 HydrophobicContact CB-CE1 4.09Å; K186-F206 HydrophobicContact CB-CG 4.45Å; K186-F206 HydrophobicContact CD-CD2 4.5Å
187N81.9Confident75.2Confident106 Ų10697.7 Ų97.757%0.56750%0.502SS*.EExtended strand (participates in β ladder)trans-81.6131.8177.3-70.9-35.4000109.4I194N187-I194 HydrophobicContact CB-CG2 3.68Å
188F81.2Confident76.5Confident74 Ų7494 Ų9433%0.32548%0.483SS..EExtended strand (participates in β ladder)trans-131.8131.9178.7-170-95.3000109.5I190 V195 L197 P209F188-I190 HydrophobicContact CD1-CD1 4.15Å; F188-I190 HydrophobicContact CD1-CG1 3.66Å; F188-I190 HydrophobicContact CE1-CD1 4.44Å; F188-I190 HydrophobicContact CE1-CG1 3.85Å; F188-V195 PolarHBondContact N-O 3.44Å; F188-V195 PolarHBondContact O-N 3.3Å; F188-L197 HydrophobicContact CB-CD1 3.96Å; F188-L197 HydrophobicContact CB-CD2 4.11Å; F188-L197 HydrophobicContact CB-CG 3.91Å; F188-L197 HydrophobicContact CG-CD1 4.41Å; F188-P209 HydrophobicContact CD1-CG 4.07Å; F188-P209 HydrophobicContact CE1-CG 4.45Å
189Q80.9Confident77.8Confident134 Ų13490.3 Ų90.363%0.62644%0.441SS*.EExtended strand (participates in β ladder)trans-91.8131-178.8-68.6-169.77.900111.4Q193 I194Q189-Q193 CarbonylContact C-O 3.49Å; Q189-Q193 WeakPolarHBondContact CA-O 3.19Å; Q189-I194 HydrophobicContact CG-CG1 4.01Å
190I80.3Confident79.1Confident25 Ų2584 Ų8413%0.12841%0.412CS..EExtended strand (participates in β ladder)trans-131.7119.2174.1-53.6178000107.1F188 N192 Q193 V195 P209 Y333F188-I190 HydrophobicContact CD1-CD1 4.15Å; F188-I190 HydrophobicContact CD1-CG1 3.66Å; F188-I190 HydrophobicContact CE1-CD1 4.44Å; F188-I190 HydrophobicContact CE1-CG1 3.85Å; I190-N192 PolarHBondContact O-N 3.44Å; I190-Q193 PolarHBondContact N-O 2.91Å; I190-Q193 WeakPolarHBondContact O-CB 3.26Å; I190-Q193 PolarHBondContact O-N 2.86Å; I190-V195 HydrophobicContact CB-CG2 4.45Å; I190-V195 HydrophobicContact CD1-CB 4.28Å; I190-V195 HydrophobicContact CD1-CG2 3.87Å; I190-V195 HydrophobicContact CG1-CG2 4.2Å; I190-P209 HydrophobicContact CD1-CB 3.66Å; I190-P209 HydrophobicContact CD1-CG 3.62Å; I190-Y333 HydrophobicContact CD1-CE1 4.05Å; I190-Y333 WeakPolarHBondContact CD1-OH 3.25Å; I190-Y333 HydrophobicContact CG2-CE1 4.25Å
191N75.4Confident80.7Confident122 Ų12279.6 Ų79.665%0.65240%0.396SS*.THydrogen-bonded Turntrans48.547.2-178.4-61.4-22.3000112.2Q193 P332N191-Q193 PolarHBondContact O-N 3.35Å; N191-Q193 VanDerWaalsContact O-N 3.12Å; N191-P332 PolarHBondContact ND2-O 3.15Å
192N78.2Confident82.1Confident155 Ų15579.3 Ų79.383%0.82939%0.393SS*.THydrogen-bonded Turntrans63.111.5-178-5959.2000115.3I190I190-N192 PolarHBondContact O-N 3.44Å
193Q80.5Confident83.7Confident56 Ų5676.9 Ų76.926%0.26238%0.377SS..EExtended strand (participates in β ladder)trans-104.1132.8172-61.3-174.2-100111Q189 I190 N191 V195 Q330Q189-Q193 CarbonylContact C-O 3.49Å; Q189-Q193 WeakPolarHBondContact CA-O 3.19Å; I190-Q193 PolarHBondContact N-O 2.91Å; I190-Q193 WeakPolarHBondContact O-CB 3.26Å; I190-Q193 PolarHBondContact O-N 2.86Å; N191-Q193 PolarHBondContact O-N 3.35Å; N191-Q193 VanDerWaalsContact O-N 3.12Å; Q193-V195 PolarHBondContact O-N 2.65Å; Q193-Q330 PolarHBondContact NE2-O 3.28Å; Q193-Q330 PolarHBondContact OE1-O 2.71Å
194I80.4Confident85.1Confident106 Ų10675.5 Ų75.554%0.54436%0.361SS..EExtended strand (participates in β ladder)trans-81112.8176.7-60.5171000109.9N187 Q189N187-I194 HydrophobicContact CB-CG2 3.68Å; Q189-I194 HydrophobicContact CG-CG1 4.01Å
195V82.4Confident85.8Confident30 Ų3073.4 Ų73.418%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-99.6127.4172.7-178.50000109.9F188 I190 Q193 L197F188-V195 PolarHBondContact N-O 3.44Å; F188-V195 PolarHBondContact O-N 3.3Å; I190-V195 HydrophobicContact CB-CG2 4.45Å; I190-V195 HydrophobicContact CD1-CB 4.28Å; I190-V195 HydrophobicContact CD1-CG2 3.87Å; I190-V195 HydrophobicContact CG1-CG2 4.2Å; Q193-V195 PolarHBondContact O-N 2.65Å; V195-L197 PolarHBondContact O-N 3.37Å
196K84.1Confident86.5Confident139 Ų13971.5 Ų71.560%0.60434%0.344SS*.EExtended strand (participates in β ladder)trans-83.5110.9179.2-71.8-179.1-177.6-178.40110.8I185I185-K196 HydrophobicContact CG2-CB 3.54Å; I185-K196 HydrophobicContact CG2-CD 4.19Å; I185-K196 HydrophobicContact CG2-CG 3.78Å
197L89.2Confident87.1Confident12 Ų1270.6 Ų70.66%0.06334%0.338CS..EExtended strand (participates in β ladder)trans-78.6133.7173-52.7-174000110I185 K186 F188 V195 R207 P209I185-L197 WeakPolarHBondContact CA-O 3.34Å; K186-L197 HydrophobicContact CB-CB 4.28Å; K186-L197 PolarHBondContact N-O 3.39Å; K186-L197 VanDerWaalsContact N-O 3.08Å; K186-L197 WeakPolarHBondContact O-CB 3.47Å; K186-L197 WeakPolarHBondContact O-CG 3.42Å; K186-L197 PolarHBondContact O-N 3.07Å; F188-L197 HydrophobicContact CB-CD1 3.96Å; F188-L197 HydrophobicContact CB-CD2 4.11Å; F188-L197 HydrophobicContact CB-CG 3.91Å; F188-L197 HydrophobicContact CG-CD1 4.41Å; V195-L197 PolarHBondContact O-N 3.37Å; L197-R207 WeakPolarHBondContact CD2-O 3.25Å; L197-P209 HydrophobicContact CD2-CG 3.81Å
198K90.9Very high87.6Confident130 Ų13066.1 Ų66.157%0.56532%0.315SS*.EExtended strand (participates in β ladder)trans-100.9136.2179.3-63.9-179.4-179.3-179.60110.2R207K198-R207 WeakPolarHBondContact O-CB 3.43Å; K198-R207 WeakPolarHBondContact O-CG 3.49Å; K198-R207 PolarHBondContact O-N 2.9Å
199Y92.6Very high88.1Confident10 Ų1063.7 Ų63.74%0.03931%0.307CS..EExtended strand (participates in β ladder)trans-69.6140.8172.2-173.8-114.8000112.1I164 E165 I168 R184 Y201 K204 I205 F206I164-Y199 HydrophobicContact CG2-CD2 4.15Å; I164-Y199 HydrophobicContact CG2-CE2 3.55Å; E165-Y199 WeakPolarHBondContact CG-OH 3.37Å; E165-Y199 PolarHBondContact OE1-OH 3.14Å; I168-Y199 HydrophobicContact CD1-CD1 4.37Å; I168-Y199 HydrophobicContact CD1-CD2 3.94Å; I168-Y199 HydrophobicContact CD1-CE1 4.4Å; I168-Y199 HydrophobicContact CD1-CE2 4.04Å; I168-Y199 HydrophobicContact CD1-CG 4.12Å; R184-Y199 HydrophobicContact CB-CG 4.44Å; R184-Y199 PolarHBondContact O-N 3.22Å; Y199-Y201 AromaticContact CD1-CD1 3.9Å; Y199-Y201 HydrophobicContact CD1-CD1 3.9Å; Y199-Y201 AromaticContact CD1-CE1 3.88Å; Y199-Y201 HydrophobicContact CD1-CE1 3.88Å; Y199-Y201 HydrophobicContact CD1-CG 4.3Å; Y199-Y201 AromaticContact CE1-CD1 3.79Å; Y199-Y201 HydrophobicContact CE1-CD1 3.79Å; Y199-Y201 HydrophobicContact CE1-CE1 4.07Å; Y199-Y201 HydrophobicContact CE1-CG 4.36Å; Y199-K204 WeakPolarHBondContact OH-CA 3.21Å; Y199-K204 VanDerWaalsContact OH-CD 3.23Å; Y199-K204 WeakPolarHBondContact OH-CD 3.26Å; Y199-I205 WeakPolarHBondContact CD2-O 3.4Å; Y199-F206 HydrophobicContact CD2-CD1 4.31Å; Y199-F206 HydrophobicContact CD2-CD2 4.36Å; Y199-F206 HydrophobicContact CD2-CE1 4.33Å; Y199-F206 HydrophobicContact CD2-CE2 4.4Å; Y199-F206 HydrophobicContact CD2-CG 4.33Å; Y199-F206 HydrophobicContact CD2-CZ 4.39Å
200C94.7Very high88.8Confident0 Ų059 Ų590%028%0.283CS..EExtended strand (participates in β ladder)trans-105.5112.9173.3-167.80000110.4T202 C203 K204 I205 R207C200-T202 VanDerWaalsContact C-N 3.33Å; C200-T202 PolarHBondContact O-N 3.33Å; C200-C203 HydrophobicContact CB-CB 4.3Å; C200-K204 VanDerWaalsContact O-CA 3.27Å; C200-K204 WeakPolarHBondContact O-CA 3.47Å; C200-K204 PolarHBondContact O-N 3.5Å; C200-I205 HydrophobicContact CB-CG1 4.28Å; C200-I205 PolarHBondContact N-O 3.41Å; C200-R207 HydrophobicContact CB-CG 3.92Å; C200-R207 VanDerWaalsContact CB-NE 3.33Å; C200-R207 PolarHBondContact SG-NH2 3.46Å
201Y92.4Very high89.5Confident140 Ų14058.2 Ų58.255%0.54928%0.281SS..THydrogen-bonded Turntrans-65.8-32.8179.2-63.1-80.5000114.1R184 Y199 K204R184-Y201 WeakPolarHBondContact CD-OH 3.25Å; Y199-Y201 AromaticContact CD1-CD1 3.9Å; Y199-Y201 HydrophobicContact CD1-CD1 3.9Å; Y199-Y201 AromaticContact CD1-CE1 3.88Å; Y199-Y201 HydrophobicContact CD1-CE1 3.88Å; Y199-Y201 HydrophobicContact CD1-CG 4.3Å; Y199-Y201 AromaticContact CE1-CD1 3.79Å; Y199-Y201 HydrophobicContact CE1-CD1 3.79Å; Y199-Y201 HydrophobicContact CE1-CE1 4.07Å; Y199-Y201 HydrophobicContact CE1-CG 4.36Å; Y201-K204 VanDerWaalsContact O-CD 3.25Å; Y201-K204 WeakPolarHBondContact O-CD 3.46Å; Y201-K204 WeakPolarHBondContact O-CE 3.43Å
202T93.8Very high90.5Very high71 Ų7153 Ų5344%0.43625%0.254SS..THydrogen-bonded Turntrans-74.8-47.7-179.4-41.80000112.7C200 D218C200-T202 VanDerWaalsContact C-N 3.33Å; C200-T202 PolarHBondContact O-N 3.33Å; T202-D218 VanDerWaalsContact CG2-OD1 3.25Å; T202-D218 WeakPolarHBondContact CG2-OD1 3.39Å
203C94.3Very high91.4Very high0 Ų047.5 Ų47.50%022%0.223CC..THydrogen-bonded Turntrans-89.8-6.7-177.4-55.90000113.3R155 A156 C200 I205 H213R155-C203 WeakPolarHBondContact CA-O 3.41Å; R155-C203 HydrophobicContact CG-CB 4.17Å; A156-C203 PolarHBondContact N-O 3.36Å; C200-C203 HydrophobicContact CB-CB 4.3Å; C203-I205 VanDerWaalsContact C-N 3.25Å; C203-I205 HydrophobicContact CB-CD1 4.21Å; C203-I205 HydrophobicContact CB-CG1 3.88Å; C203-I205 PolarHBondContact O-N 3.01Å; C203-H213 PolarHBondContact SG-ND1 2.87Å
204K94.2Very high92.3Very high71 Ų7145.1 Ų45.131%0.30921%0.213SC..THydrogen-bonded Turntrans56.333.9179.3-56.9-68-173.11680114.7A156 A161 E165 Y199 C200 Y201A156-K204 HydrophobicContact CB-CB 4.04Å; A156-K204 WeakPolarHBondContact CB-O 3.4Å; A161-K204 HydrophobicContact CB-CB 3.69Å; A161-K204 HydrophobicContact CB-CG 4.16Å; E165-K204 VanDerWaalsContact OE1-CD 3.24Å; E165-K204 WeakPolarHBondContact OE1-CD 3.36Å; E165-K204 WeakPolarHBondContact OE1-CE 3.4Å; E165-K204 IonicContact OE1-NZ 2.76Å; E165-K204 PolarHBondContact OE1-NZ 3.06Å; E165-K204 IonicContact OE2-NZ 3.55Å; Y199-K204 WeakPolarHBondContact OH-CA 3.21Å; Y199-K204 VanDerWaalsContact OH-CD 3.23Å; Y199-K204 WeakPolarHBondContact OH-CD 3.26Å; C200-K204 VanDerWaalsContact O-CA 3.27Å; C200-K204 WeakPolarHBondContact O-CA 3.47Å; C200-K204 PolarHBondContact O-N 3.5Å; Y201-K204 VanDerWaalsContact O-CD 3.25Å; Y201-K204 WeakPolarHBondContact O-CD 3.46Å; Y201-K204 WeakPolarHBondContact O-CE 3.43Å
205I93.3Very high93Very high21 Ų2144.9 Ų44.911%0.10822%0.22CC..EExtended strand (participates in β ladder)trans-125.2151.5-179.857.8172000111.4I153 A156 Y199 C200 C203 R207 C220I153-I205 HydrophobicContact CB-CD1 4.19Å; I153-I205 HydrophobicContact CG2-CD1 3.59Å; A156-I205 HydrophobicContact CB-CG2 3.82Å; Y199-I205 WeakPolarHBondContact CD2-O 3.4Å; C200-I205 HydrophobicContact CB-CG1 4.28Å; C200-I205 PolarHBondContact N-O 3.41Å; C203-I205 VanDerWaalsContact C-N 3.25Å; C203-I205 HydrophobicContact CB-CD1 4.21Å; C203-I205 HydrophobicContact CB-CG1 3.88Å; C203-I205 PolarHBondContact O-N 3.01Å; I205-R207 PolarHBondContact O-N 3.34Å; I205-C220 HydrophobicContact CD1-CB 4.04Å
206F93.7Very high93.7Very high25 Ų2549.1 Ų49.111%0.1124%0.241CC..EExtended strand (participates in β ladder)trans-73.1118157.1-75.8-77.3000109I164 I168 K186 Y199 P208I164-F206 HydrophobicContact CG2-CD2 3.96Å; I164-F206 HydrophobicContact CG2-CE2 3.66Å; I168-F206 HydrophobicContact CD1-CE2 4Å; I168-F206 HydrophobicContact CD1-CZ 3.68Å; I168-F206 HydrophobicContact CG1-CE2 4.15Å; I168-F206 HydrophobicContact CG1-CZ 3.7Å; K186-F206 HydrophobicContact CB-CD1 4.03Å; K186-F206 HydrophobicContact CB-CE1 4.09Å; K186-F206 HydrophobicContact CB-CG 4.45Å; K186-F206 HydrophobicContact CD-CD2 4.5Å; Y199-F206 HydrophobicContact CD2-CD1 4.31Å; Y199-F206 HydrophobicContact CD2-CD2 4.36Å; Y199-F206 HydrophobicContact CD2-CE1 4.33Å; Y199-F206 HydrophobicContact CD2-CE2 4.4Å; Y199-F206 HydrophobicContact CD2-CG 4.33Å; Y199-F206 HydrophobicContact CD2-CZ 4.39Å; F206-P208 WeakPolarHBondContact O-CD 3.25Å
207R94.3Very high94.3Very high56 Ų5644.2 Ų44.221%0.21122%0.224CC..PPolyproline II helixtrans-64.8124.9-176.5-63.4175-176.5161.87.9109L197 K198 C200 I205 A211 H213L197-R207 WeakPolarHBondContact CD2-O 3.25Å; K198-R207 WeakPolarHBondContact O-CB 3.43Å; K198-R207 WeakPolarHBondContact O-CG 3.49Å; K198-R207 PolarHBondContact O-N 2.9Å; C200-R207 HydrophobicContact CB-CG 3.92Å; C200-R207 VanDerWaalsContact CB-NE 3.33Å; C200-R207 PolarHBondContact SG-NH2 3.46Å; I205-R207 PolarHBondContact O-N 3.34Å; R207-A211 HydrophobicContact CB-CB 4.36Å; R207-H213 VanDerWaalsContact NH2-CB 3.29Å
208P93.3Very high94.7Very high11 Ų1146.8 Ų46.87%0.07124%0.237CC..PPolyproline II helixtrans-54.6160.5171.5-25.734.7000111.8W12 I153 F206 R210 A211W12-P208 HydrophobicContact CH2-CG 4.11Å; W12-P208 HydrophobicContact CZ2-CB 4.43Å; W12-P208 HydrophobicContact CZ2-CG 3.88Å; I153-P208 HydrophobicContact CD1-CG 3.9Å; F206-P208 WeakPolarHBondContact O-CD 3.25Å; P208-R210 PolarHBondContact O-N 2.86Å; P208-A211 HydrophobicContact CB-CB 4.34Å; P208-A211 VanDerWaalsContact O-CB 3.23Å; P208-A211 WeakPolarHBondContact O-CB 3.18Å; P208-A211 PolarHBondContact O-N 3.35Å
209P92.3Very high95Very high24 Ų2442.8 Ų42.816%0.15622%0.222CC..THydrogen-bonded Turntrans-51.1138.7175.6-22.330.3000111.6F188 I190 L197 A211 Y333F188-P209 HydrophobicContact CD1-CG 4.07Å; F188-P209 HydrophobicContact CE1-CG 4.45Å; I190-P209 HydrophobicContact CD1-CB 3.66Å; I190-P209 HydrophobicContact CD1-CG 3.62Å; L197-P209 HydrophobicContact CD2-CG 3.81Å; P209-A211 PolarHBondContact O-N 2.85Å; P209-Y333 VanDerWaalsContact CB-OH 3.27Å; P209-Y333 WeakPolarHBondContact CB-OH 3.47Å
210R93.8Very high95.2Very high35 Ų3542.3 Ų42.313%0.13222%0.22CC..THydrogen-bonded Turntrans63.50.2-177.9-3917869.6173.16.6115.4P208 R223 F224 N312 E317 Y333P208-R210 PolarHBondContact O-N 2.86Å; R210-R223 WeakPolarHBondContact O-CA 3.22Å; R210-R223 PolarHBondContact O-N 3.13Å; R210-F224 PolarHBondContact O-N 3Å; R210-F224 VanDerWaalsContact O-N 3.08Å; R210-N312 PolarHBondContact NH1-OD1 2.94Å; R210-N312 PolarHBondContact NH2-O 3.02Å; R210-E317 WeakPolarHBondContact CD-OE1 3.44Å; R210-E317 WeakPolarHBondContact CG-OE1 3.46Å; R210-E317 IonicContact CZ-OE1 2.97Å; R210-E317 IonicContact CZ-OE2 2.79Å; R210-E317 IonicContact NE-OE1 3.59Å; R210-E317 PolarHBondContact NE-OE1 2.86Å; R210-E317 IonicContact NE-OE2 3.64Å; R210-E317 IonicContact NH2-OE1 2.64Å; R210-E317 IonicContact NH2-OE2 3.08Å; R210-E317 PolarHBondContact NH2-OE2 3.43Å; R210-Y333 HydrophobicContact CG-CD2 4.45Å; R210-Y333 HydrophobicContact CG-CE1 4.22Å; R210-Y333 HydrophobicContact CG-CE2 3.75Å
211A96.1Very high95.3Very high9 Ų942.4 Ų42.47%0.07422%0.221CC..  trans-80.7145.8173.400000111.2I153 R207 P208 P209 V221I153-A211 HydrophobicContact CD1-CB 3.72Å; R207-A211 HydrophobicContact CB-CB 4.36Å; P208-A211 HydrophobicContact CB-CB 4.34Å; P208-A211 VanDerWaalsContact O-CB 3.23Å; P208-A211 WeakPolarHBondContact O-CB 3.18Å; P208-A211 PolarHBondContact O-N 3.35Å; P209-A211 PolarHBondContact O-N 2.85Å; A211-V221 VanDerWaalsContact CA-O 3.23Å; A211-V221 WeakPolarHBondContact CA-O 3.28Å; A211-V221 WeakPolarHBondContact CB-O 3.21Å
212S96.6Very high95.5Very high13 Ų1338.4 Ų38.49%0.09121%0.207CC..EExtended strand (participates in β ladder)trans-141.1151174.2-72.20000111C220 V221S212-C220 WeakPolarHBondContact O-CA 3.48Å; S212-V221 PolarHBondContact N-O 2.55Å; S212-V221 VanDerWaalsContact N-O 3.16Å; S212-V221 PolarHBondContact O-N 2.93Å
213H97.5Very high95.7Very high38 Ų3836.8 Ų36.818%0.17619%0.193CC..EExtended strand (participates in β ladder)trans-83.6125.6173.7-177.985.9000109.4C203 R207 D218C203-H213 PolarHBondContact SG-ND1 2.87Å; R207-H213 VanDerWaalsContact NH2-CB 3.29Å; H213-D218 IonicContact CE1-OD1 3.08Å; H213-D218 IonicContact NE2-OD1 3.93Å
214C97.9Very high95.8Very high7 Ų737.8 Ų37.85%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-94.5117.8169.4179.80000108.4I216 C217 D218 N219 F224 C234C214-I216 VanDerWaalsContact C-N 3.27Å; C214-I216 PolarHBondContact O-N 3.46Å; C214-C217 HydrophobicContact CB-CB 4.2Å; C214-C217 PolarHBondContact SG-N 2.99Å; C214-D218 WeakPolarHBondContact O-CA 3.06Å; C214-D218 PolarHBondContact O-N 2.87Å; C214-N219 PolarHBondContact N-O 3.36Å; C214-N219 PolarHBondContact O-N 3.23Å; C214-F224 HydrophobicContact CB-CE2 4Å; C214-F224 HydrophobicContact CB-CZ 4.47Å; C214-C234 VanDerWaalsContact CB-SG 3.57Å
215S96.8Very high96Very high100 Ų10034.5 Ų34.570%0.69918%0.183SC*.THydrogen-bonded Turntrans-68.1-26.7177.5510000113.2
216I97.1Very high96.2Very high119 Ų11935.6 Ų35.661%0.6119%0.188SC*.THydrogen-bonded Turntrans-72.2-45.6178.8-57.2169.7000110.3C214 D218 H227C214-I216 VanDerWaalsContact C-N 3.27Å; C214-I216 PolarHBondContact O-N 3.46Å; I216-D218 VanDerWaalsContact C-N 3.33Å; I216-H227 HydrophobicContact CD1-CB 4.24Å
217C96.6Very high96.5Very high37 Ų3736.4 Ų36.425%0.2519%0.192CC..THydrogen-bonded Turntrans-86-5.5177.5-66.40000113.4C214 N219 H227 C234C214-C217 HydrophobicContact CB-CB 4.2Å; C214-C217 PolarHBondContact SG-N 2.99Å; C217-N219 PolarHBondContact O-N 2.91Å; C217-N219 PolarHBondContact O-ND2 2.87Å; C217-H227 PolarHBondContact SG-CE1 3.29Å; C217-H227 PolarHBondContact SG-ND1 3.32Å; C217-C234 PolarHBondContact SG-SG 3.19Å
218D96.9Very high96.6Very high66 Ų6634 Ų3435%0.35318%0.184SC..THydrogen-bonded Turntrans49.538.6-176.6-167.533.9000114.7R155 T202 H213 C214 I216R155-D218 IonicContact CZ-OD2 3.61Å; R155-D218 VanDerWaalsContact NH2-CG 3.31Å; R155-D218 PolarHBondContact NH2-O 3.04Å; R155-D218 IonicContact NH2-OD1 3.6Å; R155-D218 IonicContact NH2-OD2 3.82Å; R155-D218 PolarHBondContact NH2-OD2 3.03Å; T202-D218 VanDerWaalsContact CG2-OD1 3.25Å; T202-D218 WeakPolarHBondContact CG2-OD1 3.39Å; H213-D218 IonicContact CE1-OD1 3.08Å; H213-D218 IonicContact NE2-OD1 3.93Å; C214-D218 WeakPolarHBondContact O-CA 3.06Å; C214-D218 PolarHBondContact O-N 2.87Å; I216-D218 VanDerWaalsContact C-N 3.33Å
219N96Very high96.8Very high46 Ų4638.4 Ų38.425%0.24621%0.212CC..EExtended strand (participates in β ladder)trans-146.8148.7-174.7-76.5-63.7000111.6V152 C214 C217V152-N219 HydrophobicContact CG1-CB 3.97Å; C214-N219 PolarHBondContact N-O 3.36Å; C214-N219 PolarHBondContact O-N 3.23Å; C217-N219 PolarHBondContact O-N 2.91Å; C217-N219 PolarHBondContact O-ND2 2.87Å
220C97.7Very high96.9Very high0 Ų048.3 Ų48.30%025%0.247CC..EExtended strand (participates in β ladder)trans-78.3131.6166.2-80.40000109.9V152 I153 I205 S212V152-C220 WeakPolarHBondContact CA-O 3.32Å; I153-C220 HydrophobicContact CB-CB 4.24Å; I153-C220 HydrophobicContact CD1-CB 4.31Å; I153-C220 PolarHBondContact N-O 2.94Å; I205-C220 HydrophobicContact CD1-CB 4.04Å; S212-C220 WeakPolarHBondContact O-CA 3.48Å
221V97.9Very high97.1Very high1 Ų147 Ų471%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-118.1131.3179.8179.40000109.1P150 G151 A211 S212 F224 C234P150-V221 HydrophobicContact CB-CG1 4Å; P150-V221 HydrophobicContact CG-CG1 4.25Å; P150-V221 HydrophobicContact CG-CG2 4.33Å; G151-V221 CarbonylContact O-C 3.59Å; G151-V221 WeakPolarHBondContact O-CA 3.34Å; A211-V221 VanDerWaalsContact CA-O 3.23Å; A211-V221 WeakPolarHBondContact CA-O 3.28Å; A211-V221 WeakPolarHBondContact CB-O 3.21Å; S212-V221 PolarHBondContact N-O 2.55Å; S212-V221 VanDerWaalsContact N-O 3.16Å; S212-V221 PolarHBondContact O-N 2.93Å; V221-F224 HydrophobicContact CB-CB 4.29Å; V221-F224 HydrophobicContact CB-CD2 3.98Å; V221-F224 HydrophobicContact CG1-CD2 4.35Å; V221-F224 HydrophobicContact CG2-CD2 4.48Å; V221-C234 HydrophobicContact CG2-CB 4.01Å
222E96.6Very high97.2Very high56 Ų5649.3 Ų49.326%0.26227%0.268SS..THydrogen-bonded Turntrans-70.6138.1176.4-162.7-173.6-178.200111G151 I153 F224 K237G151-E222 PolarHBondContact O-N 2.87Å; I153-E222 HydrophobicContact CD1-CB 4.26Å; I153-E222 HydrophobicContact CG1-CB 4.29Å; E222-F224 PolarHBondContact O-N 3.33Å; E222-K237 HydrophobicContact CB-CB 4.36Å; E222-K237 HydrophobicContact CB-CD 4.45Å; E222-K237 HydrophobicContact CG-CD 3.92Å; E222-K237 WeakPolarHBondContact O-CB 3.28Å; E222-K237 PolarHBondContact O-N 3.01Å; E222-K237 IonicContact OE1-NZ 2.87Å; E222-K237 PolarHBondContact OE1-NZ 3.33Å; E222-K237 WeakPolarHBondContact OE2-CD 3.41Å; E222-K237 IonicContact OE2-NZ 3.84Å; E222-K237 PolarHBondContact OE2-NZ 2.57Å; E222-K237 VanDerWaalsContact OE2-NZ 3.08Å
223R96Very high97.2Very high37 Ų3750 Ų5014%0.1427%0.27CS..THydrogen-bonded Turntrans44.652.1-174.8-165.4-176.4168.1149.26.5110.8R210 D225 G236 K237 N312 T314R210-R223 WeakPolarHBondContact O-CA 3.22Å; R210-R223 PolarHBondContact O-N 3.13Å; R223-D225 PolarHBondContact O-N 3.45Å; R223-G236 WeakPolarHBondContact O-CA 3.27Å; R223-K237 HydrophobicContact CB-CB 3.79Å; R223-K237 HydrophobicContact CB-CG 4.23Å; R223-N312 PolarHBondContact NH2-OD1 2.92Å; R223-T314 HydrophobicContact CG-CG2 3.8Å
224F97.8Very high97.3Very high22 Ų2248.2 Ų48.210%0.09626%0.262CS..  trans-63.7125.6-174.7173.1-99.7000110.2R210 C214 V221 E222 C234 N316R210-F224 PolarHBondContact O-N 3Å; R210-F224 VanDerWaalsContact O-N 3.08Å; C214-F224 HydrophobicContact CB-CE2 4Å; C214-F224 HydrophobicContact CB-CZ 4.47Å; V221-F224 HydrophobicContact CB-CB 4.29Å; V221-F224 HydrophobicContact CB-CD2 3.98Å; V221-F224 HydrophobicContact CG1-CD2 4.35Å; V221-F224 HydrophobicContact CG2-CD2 4.48Å; E222-F224 PolarHBondContact O-N 3.33Å; F224-C234 HydrophobicContact CE2-CB 4.46Å; F224-N316 HydrophobicContact CD1-CB 4.02Å; F224-N316 HydrophobicContact CE1-CB 4.36Å
225D98.2Very high97.3Very high2 Ų247.9 Ų47.91%0.01126%0.26CS..  trans-97.3-63.6176.6-162.478.1000110.7R223 V235 Y240 H305 T314 T315 N316R223-D225 PolarHBondContact O-N 3.45Å; D225-V235 HydrophobicContact CB-CB 4.38Å; D225-V235 HydrophobicContact CB-CG1 4.28Å; D225-V235 WeakPolarHBondContact CB-O 3.36Å; D225-V235 PolarHBondContact N-O 2.83Å; D225-Y240 HydrophobicContact CB-CD2 4.2Å; D225-Y240 HydrophobicContact CB-CE2 4.33Å; D225-H305 IonicContact OD2-CE1 2.89Å; D225-H305 PolarHBondContact OD2-CE1 2.91Å; D225-T314 WeakPolarHBondContact OD1-CA 3.45Å; D225-T314 VanDerWaalsContact OD1-CB 3.28Å; D225-T314 WeakPolarHBondContact OD1-CB 3.42Å; D225-T315 PolarHBondContact OD1-N 2.95Å; D225-T315 PolarHBondContact OD1-OG1 3.39Å; D225-T315 VanDerWaalsContact OD2-CB 3.32Å; D225-T315 WeakPolarHBondContact OD2-CB 3.43Å; D225-T315 PolarHBondContact OD2-OG1 3.28Å; D225-N316 VanDerWaalsContact O-CB 3.28Å; D225-N316 WeakPolarHBondContact O-CB 3.29Å; D225-N316 PolarHBondContact O-N 2.73Å
226H98.2Very high97.3Very high43 Ų4343.1 Ų43.120%0.19923%0.227CC..EExtended strand (participates in β ladder)trans-163.2168.3175.462.3-78.6000111.1C228 V235 F243H226-C228 WeakPolarHBondContact NE2-CB 3.4Å; H226-V235 PolarHBondContact N-O 2.74Å; H226-V235 PolarHBondContact O-N 3.4Å; H226-F243 AromaticContact CE1-CE1 3.83Å; H226-F243 AromaticContact CE1-CZ 3.62Å; H226-F243 AromaticContact NE2-CZ 3.85Å
227H98.4Very high97.3Very high42 Ų4241.1 Ų41.119%0.19421%0.214CC..EExtended strand (participates in β ladder)trans-91.9125.1162.2-178.691.5000108.5I216 C217I216-H227 HydrophobicContact CD1-CB 4.24Å; C217-H227 PolarHBondContact SG-CE1 3.29Å; C217-H227 PolarHBondContact SG-ND1 3.32Å
228C97.9Very high97.3Very high7 Ų741.2 Ų41.25%0.04721%0.209CC..EExtended strand (participates in β ladder)trans-108.1112.5-177.4179.10000110.2H226 W230 V231 G232 N233 V235H226-C228 WeakPolarHBondContact NE2-CB 3.4Å; C228-W230 PolarHBondContact O-N 2.88Å; C228-V231 HydrophobicContact CB-CG2 3.59Å; C228-V231 WeakPolarHBondContact O-CG2 3.24Å; C228-V231 PolarHBondContact O-N 2.79Å; C228-G232 PolarHBondContact O-N 3.2Å; C228-N233 PolarHBondContact N-O 3.04Å; C228-N233 VanDerWaalsContact N-O 3.08Å; C228-N233 PolarHBondContact O-N 3.28Å; C228-V235 HydrophobicContact CB-CG2 4.06Å
229P96.8Very high97.3Very high103 Ų10338 Ų3867%0.66919%0.192SC*.THydrogen-bonded Turntrans-61.5-31.9178.1-24.134.7000112.9G232P229-G232 PolarHBondContact O-N 3.08Å
230W95.1Very high97.4Very high231 Ų23136.5 Ų36.588%0.87518%0.183SC*.THydrogen-bonded Turntrans-68.8-35.7-177.3-53.1107.9000113.3C228C228-W230 PolarHBondContact O-N 2.88Å
231V96.9Very high97.3Very high7 Ų738.7 Ų38.74%0.04219%0.191CC..THydrogen-bonded Turntrans-90.4-12.3175.5-50.80000111.9L142 T145 S146 C228 N233L142-V231 HydrophobicContact CD1-CG1 4.02Å; T145-V231 HydrophobicContact CG2-CB 4.29Å; T145-V231 HydrophobicContact CG2-CG1 4.06Å; T145-V231 HydrophobicContact CG2-CG2 4.36Å; S146-V231 VanDerWaalsContact CB-O 3.28Å; S146-V231 WeakPolarHBondContact CB-O 3.23Å; S146-V231 PolarHBondContact OG-O 3.01Å; C228-V231 HydrophobicContact CB-CG2 3.59Å; C228-V231 WeakPolarHBondContact O-CG2 3.24Å; C228-V231 PolarHBondContact O-N 2.79Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 HydrophobicContact CG2-CB 4.11Å; V231-N233 WeakPolarHBondContact CG2-O 3.43Å; V231-N233 PolarHBondContact O-N 3.31Å
232G97.2Very high97.3Very high59 Ų5940.3 Ų40.361%0.60820%0.197SC*.THydrogen-bonded Turntrans66.823.9-177.500000113.9C228 P229C228-G232 PolarHBondContact O-N 3.2Å; P229-G232 PolarHBondContact O-N 3.08Å
233N97.9Very high97.4Very high26 Ų2637.8 Ų37.814%0.13919%0.185CC..EExtended strand (participates in β ladder)trans-151.6162.3-174.1-164.51.5000110.9S146 S148 C228 V231S146-N233 PolarHBondContact O-ND2 3.18Å; S148-N233 PolarHBondContact O-ND2 3.35Å; C228-N233 PolarHBondContact N-O 3.04Å; C228-N233 VanDerWaalsContact N-O 3.08Å; C228-N233 PolarHBondContact O-N 3.28Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 HydrophobicContact CG2-CB 4.11Å; V231-N233 WeakPolarHBondContact CG2-O 3.43Å; V231-N233 PolarHBondContact O-N 3.31Å
234C98.4Very high97.5Very high1 Ų137.2 Ų37.21%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-67.3147.5165.2-75.80000110.9P150 C214 C217 V221 F224 N239P150-C234 HydrophobicContact CB-CB 4.07Å; P150-C234 WeakPolarHBondContact CB-O 3.31Å; P150-C234 HydrophobicContact CG-CB 4.05Å; C214-C234 VanDerWaalsContact CB-SG 3.57Å; C217-C234 PolarHBondContact SG-SG 3.19Å; V221-C234 HydrophobicContact CG2-CB 4.01Å; F224-C234 HydrophobicContact CE2-CB 4.46Å; C234-N239 PolarHBondContact O-ND2 3.12Å
235V98.6Very high97.6Very high0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-103.5121.6165.9-175.60000107.2D225 H226 C228 N239 Y240 F243D225-V235 HydrophobicContact CB-CB 4.38Å; D225-V235 HydrophobicContact CB-CG1 4.28Å; D225-V235 WeakPolarHBondContact CB-O 3.36Å; D225-V235 PolarHBondContact N-O 2.83Å; H226-V235 PolarHBondContact N-O 2.74Å; H226-V235 PolarHBondContact O-N 3.4Å; C228-V235 HydrophobicContact CB-CG2 4.06Å; V235-N239 WeakPolarHBondContact CA-OD1 3.28Å; V235-Y240 HydrophobicContact CG1-CD2 3.8Å; V235-Y240 HydrophobicContact CG1-CG 4.49Å; V235-F243 HydrophobicContact CG1-CB 3.84Å; V235-F243 HydrophobicContact CG1-CD1 3.9Å; V235-F243 HydrophobicContact CG1-CG 3.82Å; V235-F243 HydrophobicContact CG2-CB 4.37Å; V235-F243 HydrophobicContact CG2-CD2 3.85Å; V235-F243 HydrophobicContact CG2-CE2 4.3Å; V235-F243 HydrophobicContact CG2-CG 3.99Å
236G97.4Very high97.6Very high1 Ų140.5 Ų40.51%0.0120%0.2CC..  trans-152.2-166.2-175.600000112.1P150 R223 R238 N239 Y240P150-G236 CarbonylContact O-C 3.43Å; P150-G236 WeakPolarHBondContact O-CA 3.35Å; R223-G236 WeakPolarHBondContact O-CA 3.27Å; G236-R238 VanDerWaalsContact C-N 3.25Å; G236-R238 PolarHBondContact O-N 2.92Å; G236-N239 PolarHBondContact N-OD1 3.4Å; G236-N239 PolarHBondContact O-N 3Å; G236-N239 PolarHBondContact O-OD1 3.49Å; G236-Y240 VanDerWaalsContact O-CB 3.24Å; G236-Y240 WeakPolarHBondContact O-CB 3.24Å; G236-Y240 PolarHBondContact O-N 2.82Å
237K96.4Very high97.6Very high77 Ų7738.6 Ų38.634%0.33519%0.192SC..THydrogen-bonded Turntrans-47.7-43-171.2-165.4179.9-177.4-177.20114.5P150 E222 R223 P351P150-K237 PolarHBondContact O-N 2.96Å; P150-K237 VanDerWaalsContact O-N 3.1Å; E222-K237 HydrophobicContact CB-CB 4.36Å; E222-K237 HydrophobicContact CB-CD 4.45Å; E222-K237 HydrophobicContact CG-CD 3.92Å; E222-K237 WeakPolarHBondContact O-CB 3.28Å; E222-K237 PolarHBondContact O-N 3.01Å; E222-K237 IonicContact OE1-NZ 2.87Å; E222-K237 PolarHBondContact OE1-NZ 3.33Å; E222-K237 WeakPolarHBondContact OE2-CD 3.41Å; E222-K237 IonicContact OE2-NZ 3.84Å; E222-K237 PolarHBondContact OE2-NZ 2.57Å; E222-K237 VanDerWaalsContact OE2-NZ 3.08Å; R223-K237 HydrophobicContact CB-CB 3.79Å; R223-K237 HydrophobicContact CB-CG 4.23Å; K237-P351 HydrophobicContact CD-CG 4.15Å; K237-P351 HydrophobicContact CG-CG 4.49Å
238R96.4Very high97.6Very high38 Ų3839.4 Ų39.414%0.14320%0.197CC..THydrogen-bonded Turntrans-88.7-20.8-168.3-68.7176.857.164.110.4114.1D149 P150 G236 L350 P351 P352 S353D149-R238 WeakPolarHBondContact O-CB 3.36Å; D149-R238 VanDerWaalsContact OD2-CD 3.24Å; D149-R238 WeakPolarHBondContact OD2-CD 3.41Å; D149-R238 IonicContact OD2-CZ 3.02Å; D149-R238 IonicContact OD2-NE 3.79Å; D149-R238 PolarHBondContact OD2-NE 2.86Å; P150-R238 PolarHBondContact O-N 2.9Å; G236-R238 VanDerWaalsContact C-N 3.25Å; G236-R238 PolarHBondContact O-N 2.92Å; R238-L350 HydrophobicContact CB-CD1 4.25Å; R238-L350 WeakPolarHBondContact O-CD1 3.46Å; R238-P351 HydrophobicContact CG-CG 4.28Å; R238-P351 PolarHBondContact NH1-O 2.98Å; R238-P352 PolarHBondContact NH1-O 2.79Å; R238-S353 VanDerWaalsContact NH1-N 3.13Å
239N97.3Very high97.6Very high0 Ų039.2 Ų39.20%020%0.196CC..THydrogen-bonded Turntrans-118.7-6.6-178.570-14.8000114.4T145 C234 V235 G236 R241 Y242 F243T145-N239 PolarHBondContact O-ND2 3.4Å; C234-N239 PolarHBondContact O-ND2 3.12Å; V235-N239 WeakPolarHBondContact CA-OD1 3.28Å; G236-N239 PolarHBondContact N-OD1 3.4Å; G236-N239 PolarHBondContact O-N 3Å; G236-N239 PolarHBondContact O-OD1 3.49Å; N239-R241 VanDerWaalsContact C-N 3.28Å; N239-R241 PolarHBondContact O-N 3.11Å; N239-Y242 HydrophobicContact CB-CD2 4.37Å; N239-Y242 PolarHBondContact O-N 2.95Å; N239-F243 PolarHBondContact O-N 2.73Å; N239-F243 VanDerWaalsContact O-N 3.08Å
240Y97.9Very high97.6Very high13 Ų1336.6 Ų36.65%0.05118%0.176CC..Hα-helixtrans-52.3-42.1179.5-172.6-88.2000113.5D225 V235 G236 Y242 F243 Y244 H305 V309 V345D225-Y240 HydrophobicContact CB-CD2 4.2Å; D225-Y240 HydrophobicContact CB-CE2 4.33Å; V235-Y240 HydrophobicContact CG1-CD2 3.8Å; V235-Y240 HydrophobicContact CG1-CG 4.49Å; G236-Y240 VanDerWaalsContact O-CB 3.24Å; G236-Y240 WeakPolarHBondContact O-CB 3.24Å; G236-Y240 PolarHBondContact O-N 2.82Å; Y240-Y242 VanDerWaalsContact C-N 3.28Å; Y240-Y242 PolarHBondContact O-N 3.42Å; Y240-F243 WeakPolarHBondContact O-CB 3.34Å; Y240-F243 PolarHBondContact O-N 3.26Å; Y240-Y244 PolarHBondContact O-N 3.32Å; Y240-H305 AromaticContact CE2-ND1 3.9Å; Y240-H305 AromaticContact CZ-ND1 3.87Å; Y240-H305 PolarHBondContact OH-ND1 3.23Å; Y240-H305 VanDerWaalsContact OH-ND1 3.08Å; Y240-V309 HydrophobicContact CE1-CG2 3.62Å; Y240-V309 WeakPolarHBondContact OH-CG2 3.37Å; Y240-V345 HydrophobicContact CD1-CG1 3.71Å; Y240-V345 HydrophobicContact CE1-CG1 3.71Å
241R96.8Very high97.8Very high46 Ų4625.9 Ų25.917%0.17414%0.136CC..Hα-helixtrans-59.3-38.8178.675.5-178.872.1-163.1-4.9112.6N239 L245 G348N239-R241 VanDerWaalsContact C-N 3.28Å; N239-R241 PolarHBondContact O-N 3.11Å; R241-L245 VanDerWaalsContact O-CG 3.27Å; R241-L245 WeakPolarHBondContact O-CG 3.49Å; R241-L245 PolarHBondContact O-N 3.42Å; R241-G348 VanDerWaalsContact CZ-O 3.27Å; R241-G348 PolarHBondContact NH1-O 3.32Å; R241-G348 PolarHBondContact NH2-O 3.4Å
242Y97.8Very high97.8Very high36 Ų3629.7 Ų29.714%0.14116%0.156CC..Hα-helixtrans-74.1-37.7179.4-53-59000110.5R144 T145 N239 Y240 L245 F246R144-Y242 HydrophobicContact CB-CD1 4.26Å; R144-Y242 HydrophobicContact CB-CD2 4.42Å; R144-Y242 HydrophobicContact CB-CG 4.04Å; R144-Y242 PolarHBondContact NH2-OH 3.16Å; T145-Y242 VanDerWaalsContact OG1-CB 3.29Å; T145-Y242 WeakPolarHBondContact OG1-CB 3.15Å; T145-Y242 PolarHBondContact OG1-O 3.41Å; N239-Y242 HydrophobicContact CB-CD2 4.37Å; N239-Y242 PolarHBondContact O-N 2.95Å; Y240-Y242 VanDerWaalsContact C-N 3.28Å; Y240-Y242 PolarHBondContact O-N 3.42Å; Y242-L245 PolarHBondContact O-N 3.36Å; Y242-F246 VanDerWaalsContact O-CB 3.27Å; Y242-F246 WeakPolarHBondContact O-CB 3.3Å; Y242-F246 PolarHBondContact O-N 2.96Å
243F98.4Very high97.8Very high3 Ų327.9 Ų27.91%0.01313%0.132CC..Hα-helixtrans-60.3-46.4173.7172.5-100.8000111.2T145 H226 V235 N239 Y240 F246 I247 H305T145-F243 HydrophobicContact CG2-CB 3.72Å; T145-F243 HydrophobicContact CG2-CD2 4.27Å; T145-F243 HydrophobicContact CG2-CG 4.49Å; T145-F243 WeakPolarHBondContact OG1-CA 3.45Å; T145-F243 PolarHBondContact OG1-N 3.24Å; H226-F243 AromaticContact CE1-CE1 3.83Å; H226-F243 AromaticContact CE1-CZ 3.62Å; H226-F243 AromaticContact NE2-CZ 3.85Å; V235-F243 HydrophobicContact CG1-CB 3.84Å; V235-F243 HydrophobicContact CG1-CD1 3.9Å; V235-F243 HydrophobicContact CG1-CG 3.82Å; V235-F243 HydrophobicContact CG2-CB 4.37Å; V235-F243 HydrophobicContact CG2-CD2 3.85Å; V235-F243 HydrophobicContact CG2-CE2 4.3Å; V235-F243 HydrophobicContact CG2-CG 3.99Å; N239-F243 PolarHBondContact O-N 2.73Å; N239-F243 VanDerWaalsContact O-N 3.08Å; Y240-F243 WeakPolarHBondContact O-CB 3.34Å; Y240-F243 PolarHBondContact O-N 3.26Å; F243-F246 WeakPolarHBondContact O-CB 3.4Å; F243-F246 PolarHBondContact O-N 3.38Å; F243-I247 HydrophobicContact CD2-CG2 4.45Å; F243-I247 HydrophobicContact CE1-CD1 3.94Å; F243-I247 HydrophobicContact CE1-CG2 4.36Å; F243-I247 HydrophobicContact CE2-CG2 3.93Å; F243-I247 HydrophobicContact CZ-CD1 4.35Å; F243-I247 HydrophobicContact CZ-CG2 3.88Å; F243-I247 PolarHBondContact O-N 3.48Å; F243-H305 AromaticContact CE1-CD2 3.85Å; F243-H305 AromaticContact CE1-CE1 3.62Å; F243-H305 AromaticContact CE1-ND1 3.96Å; F243-H305 AromaticContact CE1-NE2 3.52Å; F243-H305 AromaticContact CZ-NE2 3.9Å
244Y98.4Very high97.7Very high24 Ų2427.6 Ų27.69%0.09413%0.132CC..Hα-helixtrans-62.1-46.1177.2-177.1-98.9000112.2Y240 F246 I247 L248 H305 T306 V309 L346Y240-Y244 PolarHBondContact O-N 3.32Å; Y244-F246 VanDerWaalsContact C-N 3.28Å; Y244-F246 PolarHBondContact O-N 3.12Å; Y244-I247 HydrophobicContact CD2-CD1 4.38Å; Y244-I247 VanDerWaalsContact O-CG1 3.25Å; Y244-I247 WeakPolarHBondContact O-CG1 3.29Å; Y244-I247 PolarHBondContact O-N 3.01Å; Y244-L248 HydrophobicContact CE1-CD2 4.15Å; Y244-L248 VanDerWaalsContact O-CB 3.26Å; Y244-L248 WeakPolarHBondContact O-CB 3.4Å; Y244-L248 PolarHBondContact O-N 3.06Å; Y244-H305 HydrophobicContact CD2-CB 4.16Å; Y244-H305 HydrophobicContact CE2-CB 4.38Å; Y244-T306 WeakPolarHBondContact CE2-OG1 3.16Å; Y244-T306 PolarHBondContact OH-OG1 3.31Å; Y244-V309 HydrophobicContact CD2-CG2 4.41Å; Y244-L346 HydrophobicContact CD1-CD1 3.86Å; Y244-L346 HydrophobicContact CD1-CD2 3.48Å; Y244-L346 VanDerWaalsContact CD1-CD2 3.48Å; Y244-L346 HydrophobicContact CD1-CG 4.34Å; Y244-L346 HydrophobicContact CE1-CD1 3.62Å; Y244-L346 HydrophobicContact CE1-CD2 4.11Å; Y244-L346 HydrophobicContact CG-CD2 3.77Å
245L98.1Very high97.7Very high67 Ų6731.3 Ų31.335%0.35115%0.15SC..Hα-helixtrans-64.1-34175.8-70173000112.3F137 T141 R241 Y242 S249F137-L245 HydrophobicContact CE1-CB 4.49Å; F137-L245 HydrophobicContact CZ-CB 4.43Å; T141-L245 HydrophobicContact CG2-CB 3.88Å; R241-L245 VanDerWaalsContact O-CG 3.27Å; R241-L245 WeakPolarHBondContact O-CG 3.49Å; R241-L245 PolarHBondContact O-N 3.42Å; Y242-L245 PolarHBondContact O-N 3.36Å; L245-S249 VanDerWaalsContact O-CB 3.25Å; L245-S249 WeakPolarHBondContact O-CB 3.12Å; L245-S249 PolarHBondContact O-N 3.28Å; L245-S249 PolarHBondContact O-OG 3.48Å
246F98.5Very high97.6Very high26 Ų2633.5 Ų33.511%0.11416%0.159CC..Hα-helixtrans-63.6-54.4174.7163-117000111.4T141 L142 Y242 F243 Y244 L248 S249 L250T141-F246 VanDerWaalsContact OG1-CA 3.3Å; T141-F246 WeakPolarHBondContact OG1-CA 3.38Å; L142-F246 HydrophobicContact CB-CD2 3.7Å; L142-F246 HydrophobicContact CB-CE2 3.8Å; L142-F246 HydrophobicContact CB-CG 4.28Å; L142-F246 HydrophobicContact CB-CZ 4.44Å; L142-F246 HydrophobicContact CD1-CD1 4.43Å; L142-F246 HydrophobicContact CD1-CD2 4.47Å; L142-F246 HydrophobicContact CD1-CE1 4.03Å; L142-F246 HydrophobicContact CD1-CE2 4.09Å; L142-F246 HydrophobicContact CD1-CZ 3.85Å; L142-F246 HydrophobicContact CD2-CE2 4.34Å; L142-F246 HydrophobicContact CG-CE2 4.29Å; Y242-F246 VanDerWaalsContact O-CB 3.27Å; Y242-F246 WeakPolarHBondContact O-CB 3.3Å; Y242-F246 PolarHBondContact O-N 2.96Å; F243-F246 WeakPolarHBondContact O-CB 3.4Å; F243-F246 PolarHBondContact O-N 3.38Å; Y244-F246 VanDerWaalsContact C-N 3.28Å; Y244-F246 PolarHBondContact O-N 3.12Å; F246-L248 VanDerWaalsContact C-N 3.32Å; F246-L248 PolarHBondContact O-N 2.87Å; F246-S249 PolarHBondContact O-N 3.48Å; F246-S249 PolarHBondContact O-OG 3.36Å; F246-S249 VanDerWaalsContact O-OG 3.08Å; F246-L250 HydrophobicContact CE2-CB 4.38Å; F246-L250 HydrophobicContact CE2-CD2 4.09Å; F246-L250 HydrophobicContact CZ-CD2 3.85Å; F246-L250 WeakPolarHBondContact O-CB 3.42Å; F246-L250 PolarHBondContact O-N 3.15Å
247I98.3Very high97.4Very high4 Ų435.4 Ų35.42%0.02117%0.17CC..Hα-helixtrans-64.6-37.7-179.764.4179.8000111.6F243 Y244 L250 S251 L301 T302 H305F243-I247 HydrophobicContact CD2-CG2 4.45Å; F243-I247 HydrophobicContact CE1-CD1 3.94Å; F243-I247 HydrophobicContact CE1-CG2 4.36Å; F243-I247 HydrophobicContact CE2-CG2 3.93Å; F243-I247 HydrophobicContact CZ-CD1 4.35Å; F243-I247 HydrophobicContact CZ-CG2 3.88Å; F243-I247 PolarHBondContact O-N 3.48Å; Y244-I247 HydrophobicContact CD2-CD1 4.38Å; Y244-I247 VanDerWaalsContact O-CG1 3.25Å; Y244-I247 WeakPolarHBondContact O-CG1 3.29Å; Y244-I247 PolarHBondContact O-N 3.01Å; I247-L250 PolarHBondContact O-N 3.44Å; I247-S251 PolarHBondContact O-N 2.85Å; I247-S251 PolarHBondContact O-OG 2.77Å; I247-L301 HydrophobicContact CD1-CG 4.46Å; I247-L301 HydrophobicContact CG2-CD2 4.09Å; I247-T302 VanDerWaalsContact C-OG1 3.3Å; I247-T302 PolarHBondContact O-OG1 3.32Å; I247-T302 VanDerWaalsContact O-OG1 3.11Å; I247-H305 HydrophobicContact CD1-CB 3.78Å
248L98.4Very high97.4Very high59 Ų5934 Ų3431%0.30916%0.164SC..Hα-helixtrans-64.4-50.1177.1178.763.2000111.7Y244 F246 L250 S251 L252 T302Y244-L248 HydrophobicContact CE1-CD2 4.15Å; Y244-L248 VanDerWaalsContact O-CB 3.26Å; Y244-L248 WeakPolarHBondContact O-CB 3.4Å; Y244-L248 PolarHBondContact O-N 3.06Å; F246-L248 VanDerWaalsContact C-N 3.32Å; F246-L248 PolarHBondContact O-N 2.87Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 2.82Å; L248-S251 WeakPolarHBondContact O-CB 3.25Å; L248-S251 PolarHBondContact O-N 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 3.49Å; L248-T302 HydrophobicContact CB-CG2 4.28Å; L248-T302 HydrophobicContact CD1-CG2 3.86Å
249S98.3Very high97.3Very high3 Ų334.3 Ų34.32%0.02118%0.175CC..Hα-helixtrans-67.1-33.5178.358.60000112.8F137 S138 L245 F246 L252 L253F137-S249 VanDerWaalsContact CD1-CB 3.43Å; S138-S249 WeakPolarHBondContact CA-OG 3.3Å; L245-S249 VanDerWaalsContact O-CB 3.25Å; L245-S249 WeakPolarHBondContact O-CB 3.12Å; L245-S249 PolarHBondContact O-N 3.28Å; L245-S249 PolarHBondContact O-OG 3.48Å; F246-S249 PolarHBondContact O-N 3.48Å; F246-S249 PolarHBondContact O-OG 3.36Å; F246-S249 VanDerWaalsContact O-OG 3.08Å; S249-L252 PolarHBondContact O-N 2.97Å; S249-L253 WeakPolarHBondContact O-CB 3.4Å; S249-L253 PolarHBondContact O-N 3.03Å
250L97.8Very high97.2Very high48 Ų4836.8 Ų36.825%0.25119%0.186SC..Hα-helixtrans-65.3-43172.5-174.164.5000111.1F246 I247 L248 L252 L253 T254 V298F246-L250 HydrophobicContact CE2-CB 4.38Å; F246-L250 HydrophobicContact CE2-CD2 4.09Å; F246-L250 HydrophobicContact CZ-CD2 3.85Å; F246-L250 WeakPolarHBondContact O-CB 3.42Å; F246-L250 PolarHBondContact O-N 3.15Å; I247-L250 PolarHBondContact O-N 3.44Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 2.82Å; L250-L252 VanDerWaalsContact C-N 3.35Å; L250-L252 PolarHBondContact O-N 2.77Å; L250-L253 PolarHBondContact O-N 3.09Å; L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 PolarHBondContact O-N 3.33Å; L250-T254 PolarHBondContact O-OG1 2.89Å; L250-V298 HydrophobicContact CB-CG1 4.26Å; L250-V298 HydrophobicContact CD2-CG1 3.99Å; L250-V298 HydrophobicContact CD2-CG2 4.34Å; L250-V298 HydrophobicContact CG-CG1 3.94Å
251S98.1Very high96.9Very high5 Ų536.5 Ų36.54%0.03519%0.185CC..Hα-helixtrans-56.9-48.4172.6-630000111.3I247 L248 L253 T254 I255 V298 T302I247-S251 PolarHBondContact O-N 2.85Å; I247-S251 PolarHBondContact O-OG 2.77Å; L248-S251 WeakPolarHBondContact O-CB 3.25Å; L248-S251 PolarHBondContact O-N 3.42Å; S251-L253 PolarHBondContact O-N 3.22Å; S251-T254 PolarHBondContact O-N 2.97Å; S251-I255 WeakPolarHBondContact O-CB 3.46Å; S251-I255 WeakPolarHBondContact O-CD1 3.42Å; S251-I255 VanDerWaalsContact O-CG1 3.25Å; S251-I255 WeakPolarHBondContact O-CG1 3.32Å; S251-I255 PolarHBondContact O-N 3.43Å; S251-V298 PolarHBondContact OG-O 3.01Å; S251-T302 WeakPolarHBondContact OG-CB 3.38Å; S251-T302 PolarHBondContact OG-OG1 2.84Å
252L97.9Very high96.8Very high88 Ų8838 Ų3846%0.46120%0.196SC..Hα-helixtrans-62.3-43.5179.2-67.9174.3000111.8L248 S249 L250 I255 Y256L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 3.49Å; S249-L252 PolarHBondContact O-N 2.97Å; L250-L252 VanDerWaalsContact C-N 3.35Å; L250-L252 PolarHBondContact O-N 2.77Å; L252-I255 PolarHBondContact O-N 2.76Å; L252-Y256 WeakPolarHBondContact O-CB 3.12Å; L252-Y256 PolarHBondContact O-N 3.44Å
253L96.9Very high96.5Very high21 Ų2138.9 Ų38.911%0.1121%0.205CC..Hα-helixtrans-62.2-45.3176.5179.562.9000111.7L134 F135 S249 L250 S251 Y256 V257L134-L253 HydrophobicContact CB-CB 4.33Å; L134-L253 HydrophobicContact CB-CD1 3.94Å; F135-L253 HydrophobicContact CB-CD2 4.14Å; F135-L253 HydrophobicContact CD2-CD2 4.2Å; S249-L253 WeakPolarHBondContact O-CB 3.4Å; S249-L253 PolarHBondContact O-N 3.03Å; L250-L253 PolarHBondContact O-N 3.09Å; S251-L253 PolarHBondContact O-N 3.22Å; L253-Y256 WeakPolarHBondContact O-CB 3.25Å; L253-Y256 PolarHBondContact O-N 2.91Å; L253-V257 HydrophobicContact CD1-CG2 4.06Å; L253-V257 HydrophobicContact CG-CG2 4.47Å; L253-V257 WeakPolarHBondContact O-CB 3.42Å; L253-V257 WeakPolarHBondContact O-CG2 3.28Å; L253-V257 PolarHBondContact O-N 3.19Å
254T96.4Very high96.2Very high20 Ų2039.3 Ų39.312%0.12321%0.206CC..Hα-helixtrans-65-43.8179.2-590000111.6L250 S251 Y256 F258 L295L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 PolarHBondContact O-N 3.33Å; L250-T254 PolarHBondContact O-OG1 2.89Å; S251-T254 PolarHBondContact O-N 2.97Å; T254-Y256 VanDerWaalsContact C-N 3.32Å; T254-Y256 PolarHBondContact O-N 3.19Å; T254-F258 WeakPolarHBondContact O-CB 3.42Å; T254-F258 PolarHBondContact O-N 3.21Å; T254-L295 HydrophobicContact CG2-CB 4.39Å; T254-L295 HydrophobicContact CG2-CD1 4.15Å
255I97.2Very high95.9Very high78 Ų7839 Ų3940%0.421%0.207SC..Hα-helixtrans-58.7-46.4173.7-69.6160.9000110.2S251 L252 F258 A259 L295 V299S251-I255 WeakPolarHBondContact O-CB 3.46Å; S251-I255 WeakPolarHBondContact O-CD1 3.42Å; S251-I255 VanDerWaalsContact O-CG1 3.25Å; S251-I255 WeakPolarHBondContact O-CG1 3.32Å; S251-I255 PolarHBondContact O-N 3.43Å; L252-I255 PolarHBondContact O-N 2.76Å; I255-F258 PolarHBondContact O-N 2.69Å; I255-A259 WeakPolarHBondContact O-CB 3.44Å; I255-A259 PolarHBondContact O-N 3.27Å; I255-L295 HydrophobicContact CB-CD1 4.37Å; I255-L295 HydrophobicContact CG1-CD1 3.48Å; I255-L295 VanDerWaalsContact CG1-CD1 3.48Å; I255-V299 HydrophobicContact CD1-CG2 4.08Å; I255-V299 HydrophobicContact CG1-CG2 4.3Å
256Y96.2Very high95.6Very high47 Ų4738.1 Ų38.118%0.18421%0.209CC..Hα-helixtrans-60.4-52.7-179.3-171.9-86.1000111.6I127 F130 A131 L134 L252 L253 T254 F258 A259 F260I127-Y256 WeakPolarHBondContact CA-OH 3.42Å; I127-Y256 HydrophobicContact CG2-CE1 4.22Å; I127-Y256 WeakPolarHBondContact CG2-OH 3.39Å; I127-Y256 PolarHBondContact O-OH 3.19Å; F130-Y256 HydrophobicContact CB-CE2 4.35Å; A131-Y256 HydrophobicContact CB-CD1 4.17Å; A131-Y256 HydrophobicContact CB-CE1 3.85Å; L134-Y256 HydrophobicContact CD1-CD2 4.46Å; L134-Y256 HydrophobicContact CD1-CG 4.39Å; L252-Y256 WeakPolarHBondContact O-CB 3.12Å; L252-Y256 PolarHBondContact O-N 3.44Å; L253-Y256 WeakPolarHBondContact O-CB 3.25Å; L253-Y256 PolarHBondContact O-N 2.91Å; T254-Y256 VanDerWaalsContact C-N 3.32Å; T254-Y256 PolarHBondContact O-N 3.19Å; Y256-F258 PolarHBondContact O-N 2.94Å; Y256-A259 PolarHBondContact O-N 3.39Å; Y256-F260 AromaticContact CD1-CD2 3.8Å; Y256-F260 HydrophobicContact CD1-CD2 3.8Å; Y256-F260 HydrophobicContact CD1-CE2 4.25Å; Y256-F260 HydrophobicContact CD2-CD2 4.2Å; Y256-F260 AromaticContact CD2-CE2 3.92Å; Y256-F260 HydrophobicContact CD2-CE2 3.92Å; Y256-F260 AromaticContact CE1-CD2 3.49Å; Y256-F260 HydrophobicContact CE1-CD2 3.49Å; Y256-F260 VanDerWaalsContact CE1-CD2 3.49Å; Y256-F260 AromaticContact CE1-CE2 3.72Å; Y256-F260 HydrophobicContact CE1-CE2 3.72Å; Y256-F260 HydrophobicContact CE1-CG 4.44Å; Y256-F260 AromaticContact CE2-CD2 3.95Å; Y256-F260 HydrophobicContact CE2-CD2 3.95Å; Y256-F260 AromaticContact CE2-CE2 3.38Å; Y256-F260 HydrophobicContact CE2-CE2 3.38Å; Y256-F260 HydrophobicContact CE2-CZ 4.36Å; Y256-F260 HydrophobicContact CG-CD2 4.13Å; Y256-F260 HydrophobicContact CG-CE2 4.32Å; Y256-F260 AromaticContact CZ-CD2 3.57Å; Y256-F260 AromaticContact CZ-CE2 3.24Å; Y256-F260 WeakPolarHBondContact O-CD2 3.34Å; Y256-F260 PolarHBondContact O-N 2.87Å; Y256-F260 WeakPolarHBondContact OH-CE2 3.24Å
257V94.3Very high95.3Very high40 Ų4039.6 Ų39.624%0.24222%0.218CC..Hα-helixtrans-62-43.3179.3170.30000110.9L253 F260 N261 E287L253-V257 HydrophobicContact CD1-CG2 4.06Å; L253-V257 HydrophobicContact CG-CG2 4.47Å; L253-V257 WeakPolarHBondContact O-CB 3.42Å; L253-V257 WeakPolarHBondContact O-CG2 3.28Å; L253-V257 PolarHBondContact O-N 3.19Å; V257-F260 PolarHBondContact O-N 3.02Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.44Å; V257-N261 WeakPolarHBondContact O-CB 3.06Å; V257-N261 PolarHBondContact O-N 2.9Å; V257-N261 PolarHBondContact O-ND2 3.38Å; V257-N261 VanDerWaalsContact O-ND2 3.07Å; V257-E287 VanDerWaalsContact CG1-OE1 3.24Å; V257-E287 WeakPolarHBondContact CG1-OE1 3.21Å
258F95.3Very high94.9Very high48 Ų4840.7 Ų40.721%0.21122%0.223CC..Hα-helixtrans-59.4-51.1176.6-176.2-112.6000111.6T254 I255 Y256 F260 N261 I262 V288 C291 F292T254-F258 WeakPolarHBondContact O-CB 3.42Å; T254-F258 PolarHBondContact O-N 3.21Å; I255-F258 PolarHBondContact O-N 2.69Å; Y256-F258 PolarHBondContact O-N 2.94Å; F258-F260 PolarHBondContact O-N 2.85Å; F258-N261 PolarHBondContact O-N 3.38Å; F258-I262 HydrophobicContact CE1-CG1 4.4Å; F258-I262 HydrophobicContact CE2-CD1 4.39Å; F258-I262 HydrophobicContact CZ-CD1 4.35Å; F258-I262 HydrophobicContact CZ-CG1 4.33Å; F258-I262 WeakPolarHBondContact O-CG1 2.99Å; F258-I262 PolarHBondContact O-N 3.26Å; F258-V288 HydrophobicContact CE2-CG1 3.88Å; F258-C291 HydrophobicContact CB-CB 4.04Å; F258-C291 HydrophobicContact CD2-CB 3.53Å; F258-C291 HydrophobicContact CE2-CB 4.42Å; F258-C291 HydrophobicContact CG-CB 4.2Å; F258-F292 HydrophobicContact CE2-CB 4.24Å; F258-F292 HydrophobicContact CZ-CD2 4.45Å
259A95.5Very high94.6Very high45 Ų4539.2 Ų39.237%0.37222%0.217SC..Hα-helixtrans-58.6-46.9-179.900000112.1I255 Y256 N261 I262 V263I255-A259 WeakPolarHBondContact O-CB 3.44Å; I255-A259 PolarHBondContact O-N 3.27Å; Y256-A259 PolarHBondContact O-N 3.39Å; A259-N261 VanDerWaalsContact C-N 3.34Å; A259-N261 PolarHBondContact O-N 3.07Å; A259-I262 PolarHBondContact O-N 3.15Å; A259-V263 WeakPolarHBondContact O-CG2 3.49Å; A259-V263 PolarHBondContact O-N 3.21Å
260F94.3Very high94.3Very high52 Ų5246 Ų4623%0.22825%0.253CS..Hα-helixtrans-72.2-26.1-179.8-81.4-73.7000113.7L119 I127 Y256 V257 F258 Y264L119-F260 HydrophobicContact CD1-CB 4.11Å; L119-F260 HydrophobicContact CD1-CD1 4.41Å; I127-F260 HydrophobicContact CD1-CD1 4.11Å; I127-F260 HydrophobicContact CD1-CE1 3.49Å; I127-F260 VanDerWaalsContact CD1-CE1 3.49Å; I127-F260 HydrophobicContact CD1-CZ 4.15Å; I127-F260 HydrophobicContact CG1-CD1 4.5Å; I127-F260 HydrophobicContact CG1-CE1 3.78Å; I127-F260 HydrophobicContact CG1-CZ 3.93Å; I127-F260 HydrophobicContact CG2-CD1 3.86Å; I127-F260 HydrophobicContact CG2-CD2 4.24Å; I127-F260 HydrophobicContact CG2-CE1 3.92Å; I127-F260 HydrophobicContact CG2-CE2 4.32Å; I127-F260 HydrophobicContact CG2-CG 4.03Å; I127-F260 HydrophobicContact CG2-CZ 4.15Å; Y256-F260 AromaticContact CD1-CD2 3.8Å; Y256-F260 HydrophobicContact CD1-CD2 3.8Å; Y256-F260 HydrophobicContact CD1-CE2 4.25Å; Y256-F260 HydrophobicContact CD2-CD2 4.2Å; Y256-F260 AromaticContact CD2-CE2 3.92Å; Y256-F260 HydrophobicContact CD2-CE2 3.92Å; Y256-F260 AromaticContact CE1-CD2 3.49Å; Y256-F260 HydrophobicContact CE1-CD2 3.49Å; Y256-F260 VanDerWaalsContact CE1-CD2 3.49Å; Y256-F260 AromaticContact CE1-CE2 3.72Å; Y256-F260 HydrophobicContact CE1-CE2 3.72Å; Y256-F260 HydrophobicContact CE1-CG 4.44Å; Y256-F260 AromaticContact CE2-CD2 3.95Å; Y256-F260 HydrophobicContact CE2-CD2 3.95Å; Y256-F260 AromaticContact CE2-CE2 3.38Å; Y256-F260 HydrophobicContact CE2-CE2 3.38Å; Y256-F260 HydrophobicContact CE2-CZ 4.36Å; Y256-F260 HydrophobicContact CG-CD2 4.13Å; Y256-F260 HydrophobicContact CG-CE2 4.32Å; Y256-F260 AromaticContact CZ-CD2 3.57Å; Y256-F260 AromaticContact CZ-CE2 3.24Å; Y256-F260 WeakPolarHBondContact O-CD2 3.34Å; Y256-F260 PolarHBondContact O-N 2.87Å; Y256-F260 WeakPolarHBondContact OH-CE2 3.24Å; V257-F260 PolarHBondContact O-N 3.02Å; F258-F260 PolarHBondContact O-N 2.85Å; F260-Y264 WeakPolarHBondContact O-CB 3.47Å; F260-Y264 PolarHBondContact O-N 3.42Å
261N92.4Very high93.9Very high7 Ų749.8 Ų49.84%0.03727%0.267CS..Hα-helixtrans-67.6-40.8169.2-81.9-42.4000111.8V257 F258 A259 Y264 V265 T284 E287 V288V257-N261 WeakPolarHBondContact CG1-ND2 3.44Å; V257-N261 WeakPolarHBondContact O-CB 3.06Å; V257-N261 PolarHBondContact O-N 2.9Å; V257-N261 PolarHBondContact O-ND2 3.38Å; V257-N261 VanDerWaalsContact O-ND2 3.07Å; F258-N261 PolarHBondContact O-N 3.38Å; A259-N261 VanDerWaalsContact C-N 3.34Å; A259-N261 PolarHBondContact O-N 3.07Å; N261-Y264 PolarHBondContact O-N 2.93Å; N261-V265 WeakPolarHBondContact O-CG2 3.44Å; N261-V265 PolarHBondContact O-N 2.81Å; N261-T284 HydrophobicContact CB-CG2 4.33Å; N261-E287 PolarHBondContact ND2-OE1 3.05Å; N261-V288 HydrophobicContact CB-CG2 3.7Å
262I93.3Very high93.6Very high78 Ų7852.9 Ų52.940%0.428%0.282SS..Hα-helixtrans-63.2-45173.7-61.7-58000110.8F258 A259 Y264 V265 A266 V288F258-I262 HydrophobicContact CE1-CG1 4.4Å; F258-I262 HydrophobicContact CE2-CD1 4.39Å; F258-I262 HydrophobicContact CZ-CD1 4.35Å; F258-I262 HydrophobicContact CZ-CG1 4.33Å; F258-I262 WeakPolarHBondContact O-CG1 2.99Å; F258-I262 PolarHBondContact O-N 3.26Å; A259-I262 PolarHBondContact O-N 3.15Å; I262-Y264 VanDerWaalsContact C-N 3.33Å; I262-Y264 PolarHBondContact O-N 3.27Å; I262-V265 PolarHBondContact O-N 3.26Å; I262-A266 WeakPolarHBondContact O-CB 3.42Å; I262-A266 PolarHBondContact O-N 2.6Å; I262-V288 HydrophobicContact CD1-CG1 3.91Å; I262-V288 HydrophobicContact CD1-CG2 4.25Å
263V93.1Very high93.3Very high54 Ų5450.3 Ų50.333%0.32728%0.277SS..Hα-helixtrans-59.4-43.4175.3171.80000111.3L123 A259 A266 L267L123-V263 HydrophobicContact CD1-CG1 3.95Å; A259-V263 WeakPolarHBondContact O-CG2 3.49Å; A259-V263 PolarHBondContact O-N 3.21Å; V263-A266 PolarHBondContact O-N 3.07Å; V263-L267 HydrophobicContact CG1-CD1 3.83Å; V263-L267 HydrophobicContact CG1-CG 4.22Å; V263-L267 WeakPolarHBondContact O-CB 3.22Å; V263-L267 WeakPolarHBondContact O-CG 3.28Å; V263-L267 PolarHBondContact O-N 2.85Å
264Y91.3Very high93.1Very high11 Ų1155 Ų554%0.04330%0.297CS..Hα-helixtrans-59.6-48.4176.5173.1-94000112R115 Y118 F260 N261 I262 A266 L267 K268 T281 T284R115-Y264 HydrophobicContact CG-CD1 4.47Å; R115-Y264 HydrophobicContact CG-CD2 4.39Å; R115-Y264 HydrophobicContact CG-CE1 4.23Å; R115-Y264 HydrophobicContact CG-CE2 4.16Å; Y118-Y264 AromaticContact CD1-CD2 3.58Å; Y118-Y264 HydrophobicContact CD1-CD2 3.58Å; Y118-Y264 AromaticContact CD1-CE2 3.71Å; Y118-Y264 HydrophobicContact CD1-CE2 3.71Å; Y118-Y264 HydrophobicContact CE1-CD2 4.14Å; Y118-Y264 HydrophobicContact CE1-CE2 4.32Å; Y118-Y264 HydrophobicContact CG-CD2 4.2Å; Y118-Y264 AromaticContact CG-CE2 3.88Å; Y118-Y264 HydrophobicContact CG-CE2 3.88Å; F260-Y264 WeakPolarHBondContact O-CB 3.47Å; F260-Y264 PolarHBondContact O-N 3.42Å; N261-Y264 PolarHBondContact O-N 2.93Å; I262-Y264 VanDerWaalsContact C-N 3.33Å; I262-Y264 PolarHBondContact O-N 3.27Å; Y264-A266 VanDerWaalsContact C-N 3.34Å; Y264-A266 PolarHBondContact O-N 3.2Å; Y264-L267 PolarHBondContact O-N 3.37Å; Y264-K268 HydrophobicContact CE1-CD 4.35Å; Y264-K268 WeakPolarHBondContact O-CB 3.49Å; Y264-K268 PolarHBondContact O-N 2.82Å; Y264-T281 HydrophobicContact CE1-CG2 4.02Å; Y264-T284 HydrophobicContact CD1-CG2 3.93Å; Y264-T284 HydrophobicContact CE1-CG2 4.35Å
265V91.8Very high92.8Very high19 Ų1960 Ų6012%0.11532%0.322CS..Hα-helixtrans-62.6-42.7178.31730000110.7N261 I262 K268 S269 F274 T277 T284N261-V265 WeakPolarHBondContact O-CG2 3.44Å; N261-V265 PolarHBondContact O-N 2.81Å; I262-V265 PolarHBondContact O-N 3.26Å; V265-K268 PolarHBondContact O-N 3.4Å; V265-S269 VanDerWaalsContact O-CB 3.25Å; V265-S269 WeakPolarHBondContact O-CB 3.27Å; V265-S269 PolarHBondContact O-N 3.04Å; V265-S269 PolarHBondContact O-OG 3.18Å; V265-F274 HydrophobicContact CG1-CE2 4.23Å; V265-T277 HydrophobicContact CG1-CG2 4.27Å; V265-T284 HydrophobicContact CG2-CG2 3.68Å
266A92.4Very high92.5Very high47 Ų4760.4 Ų60.439%0.38832%0.322SS..Hα-helixtrans-63.5-46.4177.900000112.4I262 V263 Y264 K268 S269 L270I262-A266 WeakPolarHBondContact O-CB 3.42Å; I262-A266 PolarHBondContact O-N 2.6Å; V263-A266 PolarHBondContact O-N 3.07Å; Y264-A266 VanDerWaalsContact C-N 3.34Å; Y264-A266 PolarHBondContact O-N 3.2Å; A266-K268 VanDerWaalsContact C-N 3.31Å; A266-K268 PolarHBondContact O-N 2.95Å; A266-S269 PolarHBondContact O-N 3.05Å; A266-S269 PolarHBondContact O-OG 2.95Å; A266-L270 VanDerWaalsContact O-CG 3.32Å; A266-L270 WeakPolarHBondContact O-CG 3.47Å; A266-L270 PolarHBondContact O-N 2.84Å
267L91.4Very high92.2Very high57 Ų5758.1 Ų58.130%0.29831%0.313SS..Hα-helixtrans-66.8-33.6179.2-71.1177.2000112.6Y118 L123 V263 Y264Y118-L267 HydrophobicContact CE1-CB 4.29Å; L123-L267 HydrophobicContact CD1-CD1 3.82Å; L123-L267 HydrophobicContact CG-CD1 4.33Å; V263-L267 HydrophobicContact CG1-CD1 3.83Å; V263-L267 HydrophobicContact CG1-CG 4.22Å; V263-L267 WeakPolarHBondContact O-CB 3.22Å; V263-L267 WeakPolarHBondContact O-CG 3.28Å; V263-L267 PolarHBondContact O-N 2.85Å; Y264-L267 PolarHBondContact O-N 3.37Å
268K89.8Confident92Very high28 Ų2858.7 Ų58.712%0.12232%0.315CS..Hα-helixtrans-78.1-37.3178.1-166.8166.7-178.8-174.50111.5Y264 V265 A266 L270 K271 I272 T277 E280 T281Y264-K268 HydrophobicContact CE1-CD 4.35Å; Y264-K268 WeakPolarHBondContact O-CB 3.49Å; Y264-K268 PolarHBondContact O-N 2.82Å; V265-K268 PolarHBondContact O-N 3.4Å; A266-K268 VanDerWaalsContact C-N 3.31Å; A266-K268 PolarHBondContact O-N 2.95Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 2.92Å; K268-K271 PolarHBondContact O-N 3.22Å; K268-I272 HydrophobicContact CD-CD1 4.43Å; K268-I272 HydrophobicContact CG-CD1 4.07Å; K268-I272 HydrophobicContact CG-CG1 4.24Å; K268-I272 WeakPolarHBondContact O-CG1 3.32Å; K268-I272 PolarHBondContact O-N 2.76Å; K268-I272 VanDerWaalsContact O-N 3.16Å; K268-T277 VanDerWaalsContact C-OG1 3.32Å; K268-T277 HydrophobicContact CB-CG2 3.81Å; K268-T277 HydrophobicContact CD-CG2 4.19Å; K268-T277 HydrophobicContact CG-CG2 3.93Å; K268-T277 PolarHBondContact O-OG1 3.41Å; K268-E280 WeakPolarHBondContact CE-OE2 3.4Å; K268-E280 IonicContact NZ-OE2 2.71Å; K268-E280 PolarHBondContact NZ-OE2 3.08Å; K268-T281 HydrophobicContact CD-CG2 4.08Å
269S92.1Very high91.7Very high28 Ų2863.7 Ų63.720%0.19634%0.336CS..Hα-helixtrans-64.3-30.8177690000113.1V265 A266 K271 G273 T277V265-S269 VanDerWaalsContact O-CB 3.25Å; V265-S269 WeakPolarHBondContact O-CB 3.27Å; V265-S269 PolarHBondContact O-N 3.04Å; V265-S269 PolarHBondContact O-OG 3.18Å; A266-S269 PolarHBondContact O-N 3.05Å; A266-S269 PolarHBondContact O-OG 2.95Å; S269-K271 PolarHBondContact O-N 2.8Å; S269-G273 CarbonylContact O-C 3.31Å; S269-G273 WeakPolarHBondContact O-CA 3.44Å; S269-G273 PolarHBondContact O-N 3.1Å; S269-T277 VanDerWaalsContact CA-OG1 3.25Å; S269-T277 WeakPolarHBondContact CA-OG1 3.46Å; S269-T277 PolarHBondContact N-OG1 2.98Å
270L92.3Very high91.4Very high145 Ų14565.5 Ų65.576%0.75934%0.337SS*.Hα-helixtrans-65-24171.9-69.8173000113.5A266 K268A266-L270 VanDerWaalsContact O-CG 3.32Å; A266-L270 WeakPolarHBondContact O-CG 3.47Å; A266-L270 PolarHBondContact O-N 2.84Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 2.92Å
271K90.1Very high91.1Very high128 Ų12863 Ų6356%0.55733%0.326SS*.Hα-helixtrans-92.6-44-176.9-67.6179.7178.6175.30113.1Y118 K268 S269Y118-K271 WeakPolarHBondContact OH-CE 3.46Å; Y118-K271 PolarHBondContact OH-NZ 3.39Å; K268-K271 PolarHBondContact O-N 3.22Å; S269-K271 PolarHBondContact O-N 2.8Å
272I91.4Very high90.9Very high69 Ų6966.7 Ų66.735%0.35435%0.351SS..Hα-helixtrans-121.11.2-171.463.4170.7000113.5K268 E276 T277 E280K268-I272 HydrophobicContact CD-CD1 4.43Å; K268-I272 HydrophobicContact CG-CD1 4.07Å; K268-I272 HydrophobicContact CG-CG1 4.24Å; K268-I272 WeakPolarHBondContact O-CG1 3.32Å; K268-I272 PolarHBondContact O-N 2.76Å; K268-I272 VanDerWaalsContact O-N 3.16Å; I272-E276 HydrophobicContact CD1-CB 4.4Å; I272-E276 HydrophobicContact CD1-CG 4.33Å; I272-E276 HydrophobicContact CG1-CB 4.41Å; I272-E276 VanDerWaalsContact O-CB 3.32Å; I272-E276 WeakPolarHBondContact O-CB 3.37Å; I272-T277 VanDerWaalsContact CG1-OG1 3.32Å; I272-T277 WeakPolarHBondContact CG1-OG1 3.08Å; I272-E280 HydrophobicContact CD1-CG 4.23Å; I272-E280 WeakPolarHBondContact CD1-OE2 3.35Å
273G92.4Very high90.7Very high34 Ų3464.1 Ų64.135%0.35134%0.343SS..  trans88.6155-173.100000113S269 T277S269-G273 CarbonylContact O-C 3.31Å; S269-G273 WeakPolarHBondContact O-CA 3.44Å; S269-G273 PolarHBondContact O-N 3.1Å; G273-T277 WeakPolarHBondContact O-CB 3.47Å; G273-T277 PolarHBondContact O-N 3.34Å; G273-T277 PolarHBondContact O-OG1 3.33Å
274F91.2Very high90.5Very high120 Ų12061.6 Ų61.653%0.52633%0.328SS..Hα-helixtrans-66.5-52.5-174.7179.8-109.6000113V265 E276 T277 L278V265-F274 HydrophobicContact CG1-CE2 4.23Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 2.85Å; F274-T277 WeakPolarHBondContact O-CB 3.41Å; F274-T277 PolarHBondContact O-N 2.64Å; F274-T277 VanDerWaalsContact O-N 3.16Å; F274-L278 HydrophobicContact CD1-CD1 4.14Å; F274-L278 HydrophobicContact CE1-CD1 3.56Å; F274-L278 HydrophobicContact CE1-CG 4.31Å; F274-L278 HydrophobicContact CE2-CD1 4.39Å; F274-L278 HydrophobicContact CE2-CD2 4.24Å; F274-L278 HydrophobicContact CE2-CG 4.37Å; F274-L278 HydrophobicContact CZ-CD1 3.71Å; F274-L278 HydrophobicContact CZ-CD2 4.19Å; F274-L278 HydrophobicContact CZ-CG 4.17Å; F274-L278 WeakPolarHBondContact O-CG 3.41Å; F274-L278 PolarHBondContact O-N 2.68Å
275L91.9Very high90.4Very high125 Ų12563.2 Ų63.265%0.65434%0.339SS*.Hα-helixtrans-61.2-38.3-178.9-71.5176.6000112.1L278 K279L275-L278 PolarHBondContact O-N 2.89Å; L275-K279 WeakPolarHBondContact O-CG 3.47Å; L275-K279 PolarHBondContact O-N 3.46Å; L275-K279 VanDerWaalsContact O-N 3.14Å
276E91.1Very high90.4Very high86 Ų8667.3 Ų67.340%0.40236%0.36SS..Hα-helixtrans-69.4-38.7178.1-158.956-14900111.5I272 F274 L278 K279 E280I272-E276 HydrophobicContact CD1-CB 4.4Å; I272-E276 HydrophobicContact CD1-CG 4.33Å; I272-E276 HydrophobicContact CG1-CB 4.41Å; I272-E276 VanDerWaalsContact O-CB 3.32Å; I272-E276 WeakPolarHBondContact O-CB 3.37Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 2.85Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 2.95Å; E276-K279 PolarHBondContact O-N 2.76Å; E276-E280 WeakPolarHBondContact O-CB 3.23Å; E276-E280 WeakPolarHBondContact O-CG 3.45Å; E276-E280 PolarHBondContact O-N 2.77Å
277T89.1Confident90.4Very high0 Ų067.4 Ų67.40%035%0.352CS..Hα-helixtrans-58.8-42.7173.6-62.80000112.2V265 K268 S269 I272 G273 F274 E280 T281V265-T277 HydrophobicContact CG1-CG2 4.27Å; K268-T277 VanDerWaalsContact C-OG1 3.32Å; K268-T277 HydrophobicContact CB-CG2 3.81Å; K268-T277 HydrophobicContact CD-CG2 4.19Å; K268-T277 HydrophobicContact CG-CG2 3.93Å; K268-T277 PolarHBondContact O-OG1 3.41Å; S269-T277 VanDerWaalsContact CA-OG1 3.25Å; S269-T277 WeakPolarHBondContact CA-OG1 3.46Å; S269-T277 PolarHBondContact N-OG1 2.98Å; I272-T277 VanDerWaalsContact CG1-OG1 3.32Å; I272-T277 WeakPolarHBondContact CG1-OG1 3.08Å; G273-T277 WeakPolarHBondContact O-CB 3.47Å; G273-T277 PolarHBondContact O-N 3.34Å; G273-T277 PolarHBondContact O-OG1 3.33Å; F274-T277 WeakPolarHBondContact O-CB 3.41Å; F274-T277 PolarHBondContact O-N 2.64Å; F274-T277 VanDerWaalsContact O-N 3.16Å; T277-E280 PolarHBondContact O-N 3.32Å; T277-T281 WeakPolarHBondContact O-CB 3.23Å; T277-T281 PolarHBondContact O-N 3.41Å; T277-T281 PolarHBondContact O-OG1 2.71Å
278L90.3Very high90.4Very high52 Ų5266 Ų6627%0.27235%0.346SS..Hα-helixtrans-64.4-42.5177.6-63.5-179.6000111.7F274 L275 E276 T281 V285F274-L278 HydrophobicContact CD1-CD1 4.14Å; F274-L278 HydrophobicContact CE1-CD1 3.56Å; F274-L278 HydrophobicContact CE1-CG 4.31Å; F274-L278 HydrophobicContact CE2-CD1 4.39Å; F274-L278 HydrophobicContact CE2-CD2 4.24Å; F274-L278 HydrophobicContact CE2-CG 4.37Å; F274-L278 HydrophobicContact CZ-CD1 3.71Å; F274-L278 HydrophobicContact CZ-CD2 4.19Å; F274-L278 HydrophobicContact CZ-CG 4.17Å; F274-L278 WeakPolarHBondContact O-CG 3.41Å; F274-L278 PolarHBondContact O-N 2.68Å; L275-L278 PolarHBondContact O-N 2.89Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 2.95Å; L278-T281 CarbonylContact O-C 3.53Å; L278-T281 PolarHBondContact O-N 3.3Å; L278-V285 HydrophobicContact CB-CG2 4.33Å; L278-V285 HydrophobicContact CD2-CG2 3.48Å; L278-V285 VanDerWaalsContact CD2-CG2 3.48Å; L278-V285 HydrophobicContact CG-CG2 4.48Å
279K89.3Confident90.6Very high152 Ų15269 Ų6966%0.66136%0.363SS*.Hα-helixtrans-66.2-40.7177.6-70.9175.4-175.8175.30112.5L275 E276 T281L275-K279 WeakPolarHBondContact O-CG 3.47Å; L275-K279 PolarHBondContact O-N 3.46Å; L275-K279 VanDerWaalsContact O-N 3.14Å; E276-K279 PolarHBondContact O-N 2.76Å; K279-T281 VanDerWaalsContact C-N 3.33Å
280E88.6Confident90.7Very high84 Ų8472 Ų7239%0.39338%0.376SS..Hα-helixtrans-73.6-24.2178.6-76-159169.200113.3V109 K268 I272 E276 T277V109-E280 WeakPolarHBondContact CG1-O 3.49Å; K268-E280 WeakPolarHBondContact CE-OE2 3.4Å; K268-E280 IonicContact NZ-OE2 2.71Å; K268-E280 PolarHBondContact NZ-OE2 3.08Å; I272-E280 HydrophobicContact CD1-CG 4.23Å; I272-E280 WeakPolarHBondContact CD1-OE2 3.35Å; E276-E280 WeakPolarHBondContact O-CB 3.23Å; E276-E280 WeakPolarHBondContact O-CG 3.45Å; E276-E280 PolarHBondContact O-N 2.77Å; T277-E280 PolarHBondContact O-N 3.32Å
281T88.9Confident90.8Very high0 Ų065.7 Ų65.70%034%0.343CS..  trans-12854.8-172.566.40000113.6V109 Y264 K268 T277 L278 K279 G283 T284 V285V109-T281 HydrophobicContact CG1-CG2 4.36Å; Y264-T281 HydrophobicContact CE1-CG2 4.02Å; K268-T281 HydrophobicContact CD-CG2 4.08Å; T277-T281 WeakPolarHBondContact O-CB 3.23Å; T277-T281 PolarHBondContact O-N 3.41Å; T277-T281 PolarHBondContact O-OG1 2.71Å; L278-T281 CarbonylContact O-C 3.53Å; L278-T281 PolarHBondContact O-N 3.3Å; K279-T281 VanDerWaalsContact C-N 3.33Å; T281-G283 PolarHBondContact O-N 3.32Å; T281-G283 VanDerWaalsContact O-N 3.13Å; T281-T284 PolarHBondContact O-N 2.93Å; T281-V285 PolarHBondContact O-N 3.08Å
282P88.1Confident91Very high84 Ų8463.9 Ų63.955%0.54534%0.336SS..Hα-helixtrans-60.7-30.3-177.126.4-35.2000112.4V285 L286P282-V285 PolarHBondContact O-N 3.39Å; P282-L286 PolarHBondContact O-N 2.96Å
283G88.4Confident91.2Very high24 Ų2467.4 Ų67.425%0.24735%0.349CS..Hα-helixtrans-63.7-38.3175.400000113.5T281 E287T281-G283 PolarHBondContact O-N 3.32Å; T281-G283 VanDerWaalsContact O-N 3.13Å; G283-E287 WeakPolarHBondContact O-CB 3.48Å; G283-E287 PolarHBondContact O-N 3.46Å
284T89.2Confident91.2Very high0 Ų068.3 Ų68.30%035%0.348CS..Hα-helixtrans-68.9-38.7176.5-49.40000111R115 N261 Y264 V265 T281 E287 V288R115-T284 WeakPolarHBondContact CD-OG1 3.44Å; N261-T284 HydrophobicContact CB-CG2 4.33Å; Y264-T284 HydrophobicContact CD1-CG2 3.93Å; Y264-T284 HydrophobicContact CE1-CG2 4.35Å; V265-T284 HydrophobicContact CG2-CG2 3.68Å; T281-T284 PolarHBondContact O-N 2.93Å; T284-E287 PolarHBondContact O-N 3.5Å; T284-V288 HydrophobicContact CG2-CG2 4.39Å; T284-V288 WeakPolarHBondContact O-CB 3.27Å; T284-V288 VanDerWaalsContact O-CG2 3.26Å; T284-V288 WeakPolarHBondContact O-CG2 3.38Å; T284-V288 PolarHBondContact O-N 3.48Å
285V89.5Confident91.4Very high45 Ų4564.2 Ų64.227%0.27333%0.331SS..Hα-helixtrans-61.7-48.3176.6-178.20000110.3L278 T281 P282 E287 V288 L289L278-V285 HydrophobicContact CB-CG2 4.33Å; L278-V285 HydrophobicContact CD2-CG2 3.48Å; L278-V285 VanDerWaalsContact CD2-CG2 3.48Å; L278-V285 HydrophobicContact CG-CG2 4.48Å; T281-V285 PolarHBondContact O-N 3.08Å; P282-V285 PolarHBondContact O-N 3.39Å; V285-E287 VanDerWaalsContact C-N 3.32Å; V285-E287 PolarHBondContact O-N 3.16Å; V285-V288 PolarHBondContact O-N 2.77Å; V285-L289 HydrophobicContact CG1-CD1 4.35Å; V285-L289 WeakPolarHBondContact O-CG 3.28Å; V285-L289 PolarHBondContact O-N 2.91Å
286L91.6Very high91.5Very high106 Ų10666.5 Ų66.556%0.55533%0.331SS*.Hα-helixtrans-59.2-43.8175.8179.961.1000111.7P282 L289 I290P282-L286 PolarHBondContact O-N 2.96Å; L286-L289 PolarHBondContact O-N 3.29Å; L286-I290 HydrophobicContact CD1-CD1 4.08Å; L286-I290 HydrophobicContact CD1-CG1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.92Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.37Å; L286-I290 PolarHBondContact O-N 2.92Å
287E91.7Very high91.6Very high49 Ų4966.5 Ų66.523%0.22934%0.341CS..Hα-helixtrans-63.5-42.6178.4-170.1178.6161.600112.3R115 V257 N261 G283 T284 V285 L289 I290 C291R115-E287 IonicContact CZ-OE2 3.41Å; R115-E287 VanDerWaalsContact CZ-OE2 3.25Å; R115-E287 IonicContact NE-OE2 3.31Å; R115-E287 PolarHBondContact NE-OE2 2.84Å; R115-E287 IonicContact NH2-OE2 3.8Å; R115-E287 PolarHBondContact NH2-OE2 3.31Å; V257-E287 VanDerWaalsContact CG1-OE1 3.24Å; V257-E287 WeakPolarHBondContact CG1-OE1 3.21Å; N261-E287 PolarHBondContact ND2-OE1 3.05Å; G283-E287 WeakPolarHBondContact O-CB 3.48Å; G283-E287 PolarHBondContact O-N 3.46Å; T284-E287 PolarHBondContact O-N 3.5Å; V285-E287 VanDerWaalsContact C-N 3.32Å; V285-E287 PolarHBondContact O-N 3.16Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 3.18Å; E287-I290 PolarHBondContact O-N 3.12Å; E287-C291 VanDerWaalsContact O-CB 3.28Å; E287-C291 WeakPolarHBondContact O-CB 3.36Å; E287-C291 PolarHBondContact O-N 3.47Å; E287-C291 PolarHBondContact O-SG 2.9Å
288V92.4Very high91.9Very high27 Ų2767.8 Ų67.816%0.16435%0.348CS..Hα-helixtrans-61.2-42.8175.3167.60000111F258 N261 I262 T284 V285 C291 F292F258-V288 HydrophobicContact CE2-CG1 3.88Å; N261-V288 HydrophobicContact CB-CG2 3.7Å; I262-V288 HydrophobicContact CD1-CG1 3.91Å; I262-V288 HydrophobicContact CD1-CG2 4.25Å; T284-V288 HydrophobicContact CG2-CG2 4.39Å; T284-V288 WeakPolarHBondContact O-CB 3.27Å; T284-V288 VanDerWaalsContact O-CG2 3.26Å; T284-V288 WeakPolarHBondContact O-CG2 3.38Å; T284-V288 PolarHBondContact O-N 3.48Å; V285-V288 PolarHBondContact O-N 2.77Å; V288-C291 PolarHBondContact O-N 3.39Å; V288-F292 WeakPolarHBondContact O-CB 3.12Å; V288-F292 PolarHBondContact O-N 3.47Å
289L93.8Very high92.2Very high91 Ų9168 Ų6848%0.47635%0.352SS..Hα-helixtrans-63.7-46.5177-69.4173.3000111.6V285 L286 E287 C291 F292 F293V285-L289 HydrophobicContact CG1-CD1 4.35Å; V285-L289 WeakPolarHBondContact O-CG 3.28Å; V285-L289 PolarHBondContact O-N 2.91Å; L286-L289 PolarHBondContact O-N 3.29Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 3.18Å; L289-C291 VanDerWaalsContact C-N 3.35Å; L289-C291 PolarHBondContact O-N 3.22Å; L289-F292 PolarHBondContact O-N 2.97Å; L289-F293 WeakPolarHBondContact O-CD2 3.12Å; L289-F293 PolarHBondContact O-N 2.9Å
290I93.9Very high92.6Very high92 Ų9262.8 Ų62.847%0.47234%0.341SS..Hα-helixtrans-60.9-46.4176.1-67.7166.9000110.2L286 E287 F292 F293 T294L286-I290 HydrophobicContact CD1-CD1 4.08Å; L286-I290 HydrophobicContact CD1-CG1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.92Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.37Å; L286-I290 PolarHBondContact O-N 2.92Å; E287-I290 PolarHBondContact O-N 3.12Å; I290-F292 VanDerWaalsContact C-N 3.31Å; I290-F292 PolarHBondContact O-N 3.07Å; I290-F293 PolarHBondContact O-N 2.82Å; I290-T294 HydrophobicContact CG2-CG2 4.1Å; I290-T294 WeakPolarHBondContact O-CB 3.46Å; I290-T294 VanDerWaalsContact O-CG2 3.24Å; I290-T294 WeakPolarHBondContact O-CG2 3.28Å; I290-T294 PolarHBondContact O-N 3.49Å; I290-T294 PolarHBondContact O-OG1 2.63Å
291C94.7Very high93Very high12 Ų1262.2 Ų62.28%0.08134%0.34CS..Hα-helixtrans-59.7-41.4177.2-730000111.5F258 E287 V288 L289 F293 T294 L295F258-C291 HydrophobicContact CB-CB 4.04Å; F258-C291 HydrophobicContact CD2-CB 3.53Å; F258-C291 HydrophobicContact CE2-CB 4.42Å; F258-C291 HydrophobicContact CG-CB 4.2Å; E287-C291 VanDerWaalsContact O-CB 3.28Å; E287-C291 WeakPolarHBondContact O-CB 3.36Å; E287-C291 PolarHBondContact O-N 3.47Å; E287-C291 PolarHBondContact O-SG 2.9Å; V288-C291 PolarHBondContact O-N 3.39Å; L289-C291 VanDerWaalsContact C-N 3.35Å; L289-C291 PolarHBondContact O-N 3.22Å; C291-F293 PolarHBondContact O-N 2.72Å; C291-T294 VanDerWaalsContact CA-OG1 3.28Å; C291-T294 WeakPolarHBondContact CA-OG1 3.43Å; C291-T294 PolarHBondContact O-N 3.01Å; C291-T294 PolarHBondContact O-OG1 2.85Å; C291-T294 VanDerWaalsContact O-OG1 3.12Å; C291-L295 WeakPolarHBondContact O-CB 3.48Å; C291-L295 PolarHBondContact O-N 3.39Å
292F93.9Very high93.4Very high90 Ų9062.7 Ų62.740%0.39534%0.343SS..Hα-helixtrans-59-50.4178.9178.9-100.3000112.2F258 V288 L289 I290 W296F258-F292 HydrophobicContact CE2-CB 4.24Å; F258-F292 HydrophobicContact CZ-CD2 4.45Å; V288-F292 WeakPolarHBondContact O-CB 3.12Å; V288-F292 PolarHBondContact O-N 3.47Å; L289-F292 PolarHBondContact O-N 2.97Å; I290-F292 VanDerWaalsContact C-N 3.31Å; I290-F292 PolarHBondContact O-N 3.07Å; F292-W296 AromaticContact CE1-NE1 3.95Å; F292-W296 AromaticContact CE2-NE1 3.59Å; F292-W296 AromaticContact CZ-NE1 3.51Å
293F94.3Very high93.9Very high143 Ų14360.6 Ų60.663%0.62734%0.337SS*.Hα-helixtrans-70.5-38.4179.6-67.4-67.6000112.8L289 I290 C291L289-F293 WeakPolarHBondContact O-CD2 3.12Å; L289-F293 PolarHBondContact O-N 2.9Å; I290-F293 PolarHBondContact O-N 2.82Å; C291-F293 PolarHBondContact O-N 2.72Å
294T93.6Very high94.3Very high53 Ų5362.8 Ų62.833%0.32534%0.34SS..Hα-helixtrans-70.5-33179.453.70000112.4I290 C291 W296 S297 V298I290-T294 HydrophobicContact CG2-CG2 4.1Å; I290-T294 WeakPolarHBondContact O-CB 3.46Å; I290-T294 VanDerWaalsContact O-CG2 3.24Å; I290-T294 WeakPolarHBondContact O-CG2 3.28Å; I290-T294 PolarHBondContact O-N 3.49Å; I290-T294 PolarHBondContact O-OG1 2.63Å; C291-T294 VanDerWaalsContact CA-OG1 3.28Å; C291-T294 WeakPolarHBondContact CA-OG1 3.43Å; C291-T294 PolarHBondContact O-N 3.01Å; C291-T294 PolarHBondContact O-OG1 2.85Å; C291-T294 VanDerWaalsContact O-OG1 3.12Å; T294-W296 PolarHBondContact O-N 3.08Å; T294-S297 PolarHBondContact O-N 3.27Å; T294-V298 WeakPolarHBondContact O-CB 3.43Å; T294-V298 VanDerWaalsContact O-CG2 3.31Å; T294-V298 WeakPolarHBondContact O-CG2 3.19Å; T294-V298 PolarHBondContact O-N 3.06Å
295L94.4Very high94.8Very high34 Ų3463 Ų6318%0.17834%0.341CS..Hα-helixtrans-56.1-52178-173.886.2000111.4T254 I255 C291 S297 V298 V299T254-L295 HydrophobicContact CG2-CB 4.39Å; T254-L295 HydrophobicContact CG2-CD1 4.15Å; I255-L295 HydrophobicContact CB-CD1 4.37Å; I255-L295 HydrophobicContact CG1-CD1 3.48Å; I255-L295 VanDerWaalsContact CG1-CD1 3.48Å; C291-L295 WeakPolarHBondContact O-CB 3.48Å; C291-L295 PolarHBondContact O-N 3.39Å; L295-S297 VanDerWaalsContact C-N 3.31Å; L295-S297 PolarHBondContact O-N 2.81Å; L295-V298 PolarHBondContact O-N 2.82Å; L295-V299 HydrophobicContact CD1-CG2 3.99Å; L295-V299 HydrophobicContact CG-CG2 4.1Å; L295-V299 WeakPolarHBondContact O-CB 3.38Å; L295-V299 VanDerWaalsContact O-CG2 3.25Å; L295-V299 WeakPolarHBondContact O-CG2 3.03Å; L295-V299 PolarHBondContact O-N 3.25Å
296W93.8Very high95.2Very high172 Ų17263.3 Ų63.365%0.65234%0.343SS*.Hα-helixtrans-58.4-44-179-69109.2000112.1F292 T294 G300F292-W296 AromaticContact CE1-NE1 3.95Å; F292-W296 AromaticContact CE2-NE1 3.59Å; F292-W296 AromaticContact CZ-NE1 3.51Å; T294-W296 PolarHBondContact O-N 3.08Å; W296-G300 WeakPolarHBondContact O-CA 3.46Å; W296-G300 PolarHBondContact O-N 3.08Å
297S94.3Very high95.4Very high87 Ų8763.4 Ų63.461%0.60834%0.339SS*.Hα-helixtrans-68-51.2-179.9-176.50000112T294 L295 G300 L301T294-S297 PolarHBondContact O-N 3.27Å; L295-S297 VanDerWaalsContact C-N 3.31Å; L295-S297 PolarHBondContact O-N 2.81Å; S297-G300 PolarHBondContact O-N 3.29Å; S297-L301 WeakPolarHBondContact O-CB 3.49Å; S297-L301 PolarHBondContact O-N 3.48Å
298V95.4Very high95.7Very high26 Ų2661 Ų6116%0.15833%0.328CS..Hα-helixtrans-72.5-42.4-173.9177.80000111.6L250 S251 T294 L295 L301 T302L250-V298 HydrophobicContact CB-CG1 4.26Å; L250-V298 HydrophobicContact CD2-CG1 3.99Å; L250-V298 HydrophobicContact CD2-CG2 4.34Å; L250-V298 HydrophobicContact CG-CG1 3.94Å; S251-V298 PolarHBondContact OG-O 3.01Å; T294-V298 WeakPolarHBondContact O-CB 3.43Å; T294-V298 VanDerWaalsContact O-CG2 3.31Å; T294-V298 WeakPolarHBondContact O-CG2 3.19Å; T294-V298 PolarHBondContact O-N 3.06Å; L295-V298 PolarHBondContact O-N 2.82Å; V298-L301 PolarHBondContact O-N 3.03Å; V298-T302 PolarHBondContact O-N 3.31Å; V298-T302 PolarHBondContact O-OG1 2.87Å
299V96.6Very high95.9Very high57 Ų5759.9 Ų59.935%0.34532%0.321SS..Hα-helixtrans-68.2-39.6176.11780000110.6I255 L295 L301 T302 G303I255-V299 HydrophobicContact CD1-CG2 4.08Å; I255-V299 HydrophobicContact CG1-CG2 4.3Å; L295-V299 HydrophobicContact CD1-CG2 3.99Å; L295-V299 HydrophobicContact CG-CG2 4.1Å; L295-V299 WeakPolarHBondContact O-CB 3.38Å; L295-V299 VanDerWaalsContact O-CG2 3.25Å; L295-V299 WeakPolarHBondContact O-CG2 3.03Å; L295-V299 PolarHBondContact O-N 3.25Å; V299-L301 PolarHBondContact O-N 3.16Å; V299-T302 PolarHBondContact O-N 3.2Å; V299-G303 PolarHBondContact O-N 3.02Å
300G97Very high96Very high42 Ų4256.3 Ų56.343%0.43331%0.305SS..Hα-helixtrans-59.5-45.2174.400000112.5W296 S297 G303 F304W296-G300 WeakPolarHBondContact O-CA 3.46Å; W296-G300 PolarHBondContact O-N 3.08Å; S297-G300 PolarHBondContact O-N 3.29Å; G300-G303 PolarHBondContact O-N 3.23Å; G300-F304 PolarHBondContact O-N 2.99Å
301L96.8Very high96Very high72 Ų7255 Ų5538%0.37730%0.298SS..Hα-helixtrans-61.7-45.2175.7-177.864.3000112.1I247 S297 V298 V299 G303 F304 H305I247-L301 HydrophobicContact CD1-CG 4.46Å; I247-L301 HydrophobicContact CG2-CD2 4.09Å; S297-L301 WeakPolarHBondContact O-CB 3.49Å; S297-L301 PolarHBondContact O-N 3.48Å; V298-L301 PolarHBondContact O-N 3.03Å; V299-L301 PolarHBondContact O-N 3.16Å; L301-G303 VanDerWaalsContact C-N 3.32Å; L301-G303 PolarHBondContact O-N 3.45Å; L301-F304 PolarHBondContact O-N 2.93Å; L301-H305 PolarHBondContact O-CD2 2.98Å; L301-H305 PolarHBondContact O-N 3.3Å
302T98.3Very high96Very high10 Ų1054.5 Ų54.56%0.06130%0.295CS..Hα-helixtrans-61.5-41175.6-63.60000111.6I247 L248 S251 V298 V299 T306I247-T302 VanDerWaalsContact C-OG1 3.3Å; I247-T302 PolarHBondContact O-OG1 3.32Å; I247-T302 VanDerWaalsContact O-OG1 3.11Å; L248-T302 HydrophobicContact CB-CG2 4.28Å; L248-T302 HydrophobicContact CD1-CG2 3.86Å; S251-T302 WeakPolarHBondContact OG-CB 3.38Å; S251-T302 PolarHBondContact OG-OG1 2.84Å; V298-T302 PolarHBondContact O-N 3.31Å; V298-T302 PolarHBondContact O-OG1 2.87Å; V299-T302 PolarHBondContact O-N 3.2Å; T302-T306 WeakPolarHBondContact O-CB 3.5Å; T302-T306 PolarHBondContact O-N 3.24Å; T302-T306 PolarHBondContact O-OG1 2.89Å
303G98.1Very high96.1Very high41 Ų4150.7 Ų50.742%0.42328%0.278SS..Hα-helixtrans-61.4-47.6174.700000112.3V299 G300 L301 T306 F307V299-G303 PolarHBondContact O-N 3.02Å; G300-G303 PolarHBondContact O-N 3.23Å; L301-G303 VanDerWaalsContact C-N 3.32Å; L301-G303 PolarHBondContact O-N 3.45Å; G303-T306 WeakPolarHBondContact O-CB 3.39Å; G303-T306 PolarHBondContact O-N 3.09Å; G303-F307 PolarHBondContact O-N 3.02Å
304F98.1Very high96.2Very high70 Ų7044 Ų4431%0.30725%0.249SC..Hα-helixtrans-59.2-48.5177174.2-112.4000112.3G300 L301 T306 F307 L308 T315G300-F304 PolarHBondContact O-N 2.99Å; L301-F304 PolarHBondContact O-N 2.93Å; F304-T306 VanDerWaalsContact C-N 3.3Å; F304-T306 PolarHBondContact O-N 3.36Å; F304-F307 WeakPolarHBondContact O-CB 3.36Å; F304-F307 PolarHBondContact O-N 2.9Å; F304-L308 HydrophobicContact CD1-CD1 4.05Å; F304-L308 HydrophobicContact CE1-CD1 3.45Å; F304-L308 VanDerWaalsContact CE1-CD1 3.45Å; F304-L308 HydrophobicContact CE1-CG 4.24Å; F304-L308 HydrophobicContact CE2-CD1 4.17Å; F304-L308 HydrophobicContact CE2-CD2 4.24Å; F304-L308 HydrophobicContact CE2-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 3.53Å; F304-L308 HydrophobicContact CZ-CD2 4.2Å; F304-L308 HydrophobicContact CZ-CG 3.99Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 3.31Å; F304-T315 HydrophobicContact CE1-CG2 3.86Å; F304-T315 HydrophobicContact CZ-CG2 4.14Å
305H98.1Very high96.3Very high3 Ų342.2 Ų42.21%0.01424%0.238CC..Hα-helixtrans-67.3-30.8176.7-82.8-77.9000112.9D225 Y240 F243 Y244 I247 L301 F307 L308 V309 T315D225-H305 IonicContact OD2-CE1 2.89Å; D225-H305 PolarHBondContact OD2-CE1 2.91Å; Y240-H305 AromaticContact CE2-ND1 3.9Å; Y240-H305 AromaticContact CZ-ND1 3.87Å; Y240-H305 PolarHBondContact OH-ND1 3.23Å; Y240-H305 VanDerWaalsContact OH-ND1 3.08Å; F243-H305 AromaticContact CE1-CD2 3.85Å; F243-H305 AromaticContact CE1-CE1 3.62Å; F243-H305 AromaticContact CE1-ND1 3.96Å; F243-H305 AromaticContact CE1-NE2 3.52Å; F243-H305 AromaticContact CZ-NE2 3.9Å; Y244-H305 HydrophobicContact CD2-CB 4.16Å; Y244-H305 HydrophobicContact CE2-CB 4.38Å; I247-H305 HydrophobicContact CD1-CB 3.78Å; L301-H305 PolarHBondContact O-CD2 2.98Å; L301-H305 PolarHBondContact O-N 3.3Å; H305-F307 VanDerWaalsContact C-N 3.34Å; H305-L308 PolarHBondContact O-N 3.37Å; H305-V309 WeakPolarHBondContact O-CB 3.08Å; H305-V309 WeakPolarHBondContact O-CG2 3.39Å; H305-V309 PolarHBondContact O-N 3.15Å; H305-T315 PolarHBondContact CE1-OG1 3.5Å; H305-T315 VanDerWaalsContact CE1-OG1 3.3Å
306T98.1Very high96.4Very high53 Ų5341.8 Ų41.833%0.32524%0.236SC..Hα-helixtrans-64.7-41.1173.1-58.50000110.8Y244 T302 G303 F304 V309 A310Y244-T306 WeakPolarHBondContact CE2-OG1 3.16Å; Y244-T306 PolarHBondContact OH-OG1 3.31Å; T302-T306 WeakPolarHBondContact O-CB 3.5Å; T302-T306 PolarHBondContact O-N 3.24Å; T302-T306 PolarHBondContact O-OG1 2.89Å; G303-T306 WeakPolarHBondContact O-CB 3.39Å; G303-T306 PolarHBondContact O-N 3.09Å; F304-T306 VanDerWaalsContact C-N 3.3Å; F304-T306 PolarHBondContact O-N 3.36Å; T306-V309 PolarHBondContact O-N 3Å; T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 3.22Å
307F97Very high96.4Very high107 Ų10734 Ų3447%0.46921%0.207SC..Hα-helixtrans-60.9-47.2172.5167-100.6000112.2G303 F304 H305 V309 A310 L311G303-F307 PolarHBondContact O-N 3.02Å; F304-F307 WeakPolarHBondContact O-CB 3.36Å; F304-F307 PolarHBondContact O-N 2.9Å; H305-F307 VanDerWaalsContact C-N 3.34Å; F307-V309 VanDerWaalsContact C-N 3.35Å; F307-V309 PolarHBondContact O-N 2.75Å; F307-A310 WeakPolarHBondContact O-CB 3.25Å; F307-A310 PolarHBondContact O-N 2.88Å; F307-L311 HydrophobicContact CD1-CD1 4.4Å; F307-L311 HydrophobicContact CD2-CD1 4.25Å; F307-L311 HydrophobicContact CE1-CD1 3.72Å; F307-L311 HydrophobicContact CE2-CD1 3.55Å; F307-L311 HydrophobicContact CE2-CG 4.25Å; F307-L311 HydrophobicContact CZ-CD1 3.26Å; F307-L311 HydrophobicContact CZ-CG 4.36Å; F307-L311 PolarHBondContact O-N 3.42Å; F307-L311 VanDerWaalsContact O-N 3.15Å
308L96.7Very high96.4Very high0 Ų032 Ų320%019%0.19CC..Hα-helixtrans-61.5-41.8177.6-70.6-178.3000112.7F304 H305 L311 N312 Q313 T315 D318F304-L308 HydrophobicContact CD1-CD1 4.05Å; F304-L308 HydrophobicContact CE1-CD1 3.45Å; F304-L308 VanDerWaalsContact CE1-CD1 3.45Å; F304-L308 HydrophobicContact CE1-CG 4.24Å; F304-L308 HydrophobicContact CE2-CD1 4.17Å; F304-L308 HydrophobicContact CE2-CD2 4.24Å; F304-L308 HydrophobicContact CE2-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 3.53Å; F304-L308 HydrophobicContact CZ-CD2 4.2Å; F304-L308 HydrophobicContact CZ-CG 3.99Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 3.31Å; H305-L308 PolarHBondContact O-N 3.37Å; L308-L311 CarbonylContact O-C 3.55Å; L308-L311 PolarHBondContact O-N 3.14Å; L308-N312 PolarHBondContact O-N 3.43Å; L308-N312 VanDerWaalsContact O-N 3.09Å; L308-Q313 WeakPolarHBondContact CB-O 3.39Å; L308-Q313 HydrophobicContact CD2-CB 4.29Å; L308-Q313 HydrophobicContact CD2-CG 4.4Å; L308-Q313 PolarHBondContact O-N 2.93Å; L308-T315 VanDerWaalsContact CD1-OG1 3.28Å; L308-T315 WeakPolarHBondContact CD1-OG1 3.21Å; L308-D318 HydrophobicContact CD2-CB 3.87Å
309V96.9Very high96.2Very high2 Ų237.2 Ų37.21%0.01222%0.215CC..Hα-helixtrans-62.7-43.4175.7171.30000110.8Y240 Y244 H305 T306 F307 L311 N312 N341 C342 V345 L346Y240-V309 HydrophobicContact CE1-CG2 3.62Å; Y240-V309 WeakPolarHBondContact OH-CG2 3.37Å; Y244-V309 HydrophobicContact CD2-CG2 4.41Å; H305-V309 WeakPolarHBondContact O-CB 3.08Å; H305-V309 WeakPolarHBondContact O-CG2 3.39Å; H305-V309 PolarHBondContact O-N 3.15Å; T306-V309 PolarHBondContact O-N 3Å; F307-V309 VanDerWaalsContact C-N 3.35Å; F307-V309 PolarHBondContact O-N 2.75Å; V309-L311 PolarHBondContact O-N 3.32Å; V309-N312 PolarHBondContact O-N 3.2Å; V309-N341 WeakPolarHBondContact O-CB 3.15Å; V309-C342 HydrophobicContact CG1-CB 4.15Å; V309-V345 HydrophobicContact CG1-CB 4.15Å; V309-V345 HydrophobicContact CG1-CG1 4.37Å; V309-V345 HydrophobicContact CG2-CG1 4.14Å; V309-L346 HydrophobicContact CG1-CD1 4.21Å; V309-L346 HydrophobicContact CG1-CG 4.15Å
310A96.1Very high95.9Very high16 Ų1640.1 Ų40.113%0.13222%0.223CC..Hα-helixtrans-59.4-29.1176.400000112.8T306 F307 I338 N341T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 3.22Å; F307-A310 WeakPolarHBondContact O-CB 3.25Å; F307-A310 PolarHBondContact O-N 2.88Å; A310-I338 HydrophobicContact CB-CG1 4.36Å; A310-I338 HydrophobicContact CB-CG2 3.71Å; A310-N341 PolarHBondContact O-ND2 2.91Å
311L94.2Very high95.5Very high66 Ų6639.4 Ų39.435%0.34622%0.216SC..THydrogen-bonded Turntrans-94.81177.2-62.8-175.8000114.4F307 L308 V309 Q313 N331F307-L311 HydrophobicContact CD1-CD1 4.4Å; F307-L311 HydrophobicContact CD2-CD1 4.25Å; F307-L311 HydrophobicContact CE1-CD1 3.72Å; F307-L311 HydrophobicContact CE2-CD1 3.55Å; F307-L311 HydrophobicContact CE2-CG 4.25Å; F307-L311 HydrophobicContact CZ-CD1 3.26Å; F307-L311 HydrophobicContact CZ-CG 4.36Å; F307-L311 PolarHBondContact O-N 3.42Å; F307-L311 VanDerWaalsContact O-N 3.15Å; L308-L311 CarbonylContact O-C 3.55Å; L308-L311 PolarHBondContact O-N 3.14Å; V309-L311 PolarHBondContact O-N 3.32Å; L311-Q313 HydrophobicContact CB-CB 4.11Å; L311-Q313 PolarHBondContact O-N 2.96Å; L311-N331 PolarHBondContact O-ND2 2.81Å
312N95.2Very high95Very high0 Ų038.5 Ų38.50%022%0.215CC..THydrogen-bonded Turntrans46.743.9-168-161.7-6000112.9R210 R223 L308 V309 N331 Y333 N341 E344R210-N312 PolarHBondContact NH1-OD1 2.94Å; R210-N312 PolarHBondContact NH2-O 3.02Å; R223-N312 PolarHBondContact NH2-OD1 2.92Å; L308-N312 PolarHBondContact O-N 3.43Å; L308-N312 VanDerWaalsContact O-N 3.09Å; V309-N312 PolarHBondContact O-N 3.2Å; N312-N331 PolarHBondContact O-ND2 3.48Å; N312-Y333 PolarHBondContact ND2-O 3.46Å; N312-N341 HydrophobicContact CB-CB 4.18Å; N312-E344 PolarHBondContact ND2-OE1 2.78Å; N312-E344 VanDerWaalsContact ND2-OE1 3.12Å; N312-E344 PolarHBondContact ND2-OE2 2.69Å
313Q94.8Very high94.3Very high10 Ų1040.5 Ų40.55%0.04722%0.222CC..  trans-116.8147.9-176.8-166.8172.1-58.400109.7L308 L311 E317 D318L308-Q313 WeakPolarHBondContact CB-O 3.39Å; L308-Q313 HydrophobicContact CD2-CB 4.29Å; L308-Q313 HydrophobicContact CD2-CG 4.4Å; L308-Q313 PolarHBondContact O-N 2.93Å; L311-Q313 HydrophobicContact CB-CB 4.11Å; L311-Q313 PolarHBondContact O-N 2.96Å; Q313-E317 HydrophobicContact CG-CB 3.75Å; Q313-D318 PolarHBondContact NE2-OD1 3.4Å
314T96.4Very high93.1Very high2 Ų243 Ų431%0.01223%0.229CC..  trans-93.5157.1170.456.80000110.4R223 D225 N316 E317 D318R223-T314 HydrophobicContact CG-CG2 3.8Å; D225-T314 WeakPolarHBondContact OD1-CA 3.45Å; D225-T314 VanDerWaalsContact OD1-CB 3.28Å; D225-T314 WeakPolarHBondContact OD1-CB 3.42Å; T314-N316 PolarHBondContact O-N 3.39Å; T314-E317 PolarHBondContact N-OE2 2.94Å; T314-E317 WeakPolarHBondContact O-CB 3.29Å; T314-E317 PolarHBondContact O-N 2.92Å; T314-E317 WeakPolarHBondContact OG1-CB 3.27Å; T314-E317 WeakPolarHBondContact OG1-CG 3.44Å; T314-E317 PolarHBondContact OG1-N 2.75Å; T314-E317 PolarHBondContact OG1-OE2 3.04Å; T314-D318 PolarHBondContact O-N 2.92Å
315T97.1Very high91.4Very high16 Ų1642.3 Ų42.310%0.09824%0.242CC..Hα-helixtrans-55.3-43173.6-53.30000110.9D225 F304 H305 L308 E317 D318 I319D225-T315 PolarHBondContact OD1-N 2.95Å; D225-T315 PolarHBondContact OD1-OG1 3.39Å; D225-T315 VanDerWaalsContact OD2-CB 3.32Å; D225-T315 WeakPolarHBondContact OD2-CB 3.43Å; D225-T315 PolarHBondContact OD2-OG1 3.28Å; F304-T315 HydrophobicContact CE1-CG2 3.86Å; F304-T315 HydrophobicContact CZ-CG2 4.14Å; H305-T315 PolarHBondContact CE1-OG1 3.5Å; H305-T315 VanDerWaalsContact CE1-OG1 3.3Å; L308-T315 VanDerWaalsContact CD1-OG1 3.28Å; L308-T315 WeakPolarHBondContact CD1-OG1 3.21Å; T315-E317 VanDerWaalsContact C-N 3.3Å; T315-E317 PolarHBondContact O-N 3.24Å; T315-D318 WeakPolarHBondContact O-CB 3.22Å; T315-D318 PolarHBondContact O-N 3.3Å; T315-I319 HydrophobicContact CG2-CD1 3.77Å; T315-I319 HydrophobicContact CG2-CG1 4.38Å; T315-I319 WeakPolarHBondContact O-CG1 3.46Å; T315-I319 PolarHBondContact O-N 2.86Å
316N95.7Very high89.4Confident25 Ų2552.4 Ų52.413%0.13429%0.286CS..Hα-helixtrans-62.6-34176.4171.279.1000113.1F224 D225 T314 K320F224-N316 HydrophobicContact CD1-CB 4.02Å; F224-N316 HydrophobicContact CE1-CB 4.36Å; D225-N316 VanDerWaalsContact O-CB 3.28Å; D225-N316 WeakPolarHBondContact O-CB 3.29Å; D225-N316 PolarHBondContact O-N 2.73Å; T314-N316 PolarHBondContact O-N 3.39Å; N316-K320 VanDerWaalsContact CG-NZ 3.31Å; N316-K320 PolarHBondContact ND2-NZ 2.94Å; N316-K320 WeakPolarHBondContact O-CB 3.34Å; N316-K320 WeakPolarHBondContact O-CD 3.46Å; N316-K320 VanDerWaalsContact O-CG 3.25Å; N316-K320 WeakPolarHBondContact O-CG 3.43Å; N316-K320 PolarHBondContact O-N 3.07Å; N316-K320 WeakPolarHBondContact OD1-CE 3.27Å; N316-K320 PolarHBondContact OD1-NZ 3.24Å
317E93.8Very high87.3Confident9 Ų956.8 Ų56.84%0.04231%0.307CS..Hα-helixtrans-71.7-38.1175.8-76.4159.4163.200111.7R210 Q313 T314 T315 G321 S322R210-E317 WeakPolarHBondContact CD-OE1 3.44Å; R210-E317 WeakPolarHBondContact CG-OE1 3.46Å; R210-E317 IonicContact CZ-OE1 2.97Å; R210-E317 IonicContact CZ-OE2 2.79Å; R210-E317 IonicContact NE-OE1 3.59Å; R210-E317 PolarHBondContact NE-OE1 2.86Å; R210-E317 IonicContact NE-OE2 3.64Å; R210-E317 IonicContact NH2-OE1 2.64Å; R210-E317 IonicContact NH2-OE2 3.08Å; R210-E317 PolarHBondContact NH2-OE2 3.43Å; Q313-E317 HydrophobicContact CG-CB 3.75Å; T314-E317 PolarHBondContact N-OE2 2.94Å; T314-E317 WeakPolarHBondContact O-CB 3.29Å; T314-E317 PolarHBondContact O-N 2.92Å; T314-E317 WeakPolarHBondContact OG1-CB 3.27Å; T314-E317 WeakPolarHBondContact OG1-CG 3.44Å; T314-E317 PolarHBondContact OG1-N 2.75Å; T314-E317 PolarHBondContact OG1-OE2 3.04Å; T315-E317 VanDerWaalsContact C-N 3.3Å; T315-E317 PolarHBondContact O-N 3.24Å; E317-G321 PolarHBondContact O-N 3.38Å; E317-S322 WeakPolarHBondContact CA-OG 3.43Å; E317-S322 WeakPolarHBondContact O-CB 3.22Å; E317-S322 PolarHBondContact O-N 2.86Å; E317-S322 PolarHBondContact O-OG 2.78Å
318D93.4Very high85.5Confident46 Ų4662.7 Ų62.725%0.24633%0.326CS..Hα-helixtrans-63.7-52.8177.3-167.259.8000112.6L308 Q313 T314 T315 K320 G321L308-D318 HydrophobicContact CD2-CB 3.87Å; Q313-D318 PolarHBondContact NE2-OD1 3.4Å; T314-D318 PolarHBondContact O-N 2.92Å; T315-D318 WeakPolarHBondContact O-CB 3.22Å; T315-D318 PolarHBondContact O-N 3.3Å; D318-K320 PolarHBondContact O-N 2.97Å; D318-G321 WeakPolarHBondContact O-CA 3.25Å; D318-G321 PolarHBondContact O-N 3.36Å
319I92.9Very high84.5Confident134 Ų13465.9 Ų65.969%0.68735%0.345SS*.Hα-helixtrans-60.8-35.5-179.9-67.7171.5000111.3T315 G321T315-I319 HydrophobicContact CG2-CD1 3.77Å; T315-I319 HydrophobicContact CG2-CG1 4.38Å; T315-I319 WeakPolarHBondContact O-CG1 3.46Å; T315-I319 PolarHBondContact O-N 2.86Å; I319-G321 PolarHBondContact O-N 3.38Å
320K89.8Confident83.8Confident118 Ų11872.5 Ų72.551%0.51338%0.376SS..THydrogen-bonded Turntrans-75.2-7.8176.4-74.1174.1179.6159.90113.3N316 D318 S322N316-K320 VanDerWaalsContact CG-NZ 3.31Å; N316-K320 PolarHBondContact ND2-NZ 2.94Å; N316-K320 WeakPolarHBondContact O-CB 3.34Å; N316-K320 WeakPolarHBondContact O-CD 3.46Å; N316-K320 VanDerWaalsContact O-CG 3.25Å; N316-K320 WeakPolarHBondContact O-CG 3.43Å; N316-K320 PolarHBondContact O-N 3.07Å; N316-K320 WeakPolarHBondContact OD1-CE 3.27Å; N316-K320 PolarHBondContact OD1-NZ 3.24Å; D318-K320 PolarHBondContact O-N 2.97Å; K320-S322 PolarHBondContact O-N 3.48Å
321G88.2Confident83.4Confident28 Ų2872.5 Ų72.529%0.28937%0.374SS..THydrogen-bonded Turntrans59.834.9-172.700000112.5E317 D318 I319 W323 T324E317-G321 PolarHBondContact O-N 3.38Å; D318-G321 WeakPolarHBondContact O-CA 3.25Å; D318-G321 PolarHBondContact O-N 3.36Å; I319-G321 PolarHBondContact O-N 3.38Å; G321-W323 PolarHBondContact O-N 3.36Å; G321-W323 VanDerWaalsContact O-N 3.09Å; G321-T324 VanDerWaalsContact CA-OG1 3.27Å; G321-T324 WeakPolarHBondContact CA-OG1 3.33Å; G321-T324 PolarHBondContact O-N 2.9Å
322S85.6Confident83.1Confident52 Ų5270 Ų7036%0.36436%0.361SS..SBendtrans-60.6-27.9-169.8-52.10000112.6E317 K320E317-S322 WeakPolarHBondContact CA-OG 3.43Å; E317-S322 WeakPolarHBondContact O-CB 3.22Å; E317-S322 PolarHBondContact O-N 2.86Å; E317-S322 PolarHBondContact O-OG 2.78Å; K320-S322 PolarHBondContact O-N 3.48Å
323W84.1Confident82.9Confident53 Ų5371.8 Ų71.820%0.20137%0.368CS..SBendtrans-124.7-1.2-176.2-44.1113.9000112.9G321 V329 N331 P332 Y333G321-W323 PolarHBondContact O-N 3.36Å; G321-W323 VanDerWaalsContact O-N 3.09Å; W323-V329 HydrophobicContact CE3-CG1 4.46Å; W323-V329 HydrophobicContact CZ3-CG1 4.25Å; W323-N331 HydrophobicContact CB-CB 4.4Å; W323-N331 HydrophobicContact CD2-CB 4.07Å; W323-N331 HydrophobicContact CE3-CB 4.48Å; W323-N331 HydrophobicContact CG-CB 4.01Å; W323-P332 HydrophobicContact CH2-CG 3.78Å; W323-P332 HydrophobicContact CZ3-CG 4Å; W323-Y333 HydrophobicContact CH2-CD2 4.42Å; W323-Y333 AromaticContact CH2-CE2 4Å; W323-Y333 HydrophobicContact CH2-CE2 4Å; W323-Y333 AromaticContact CZ2-CD2 3.95Å; W323-Y333 HydrophobicContact CZ2-CD2 3.95Å; W323-Y333 AromaticContact CZ2-CE2 3.71Å; W323-Y333 HydrophobicContact CZ2-CE2 3.71Å
324T72.1Confident82.7Confident92 Ų9272.9 Ų72.956%0.56438%0.377SS*.SBendtrans-111.5100.7-178.450.50000108.9G321G321-T324 VanDerWaalsContact CA-OG1 3.27Å; G321-T324 WeakPolarHBondContact CA-OG1 3.33Å; G321-T324 PolarHBondContact O-N 2.9Å
325G64.3Low82.4Confident56 Ų5678.1 Ų78.158%0.57740%0.402SS*.SBendtrans170.7174.3-179.700000116.9N327 R328G325-N327 PolarHBondContact O-N 3.16Å; G325-R328 PolarHBondContact O-N 2.92Å; G325-R328 VanDerWaalsContact O-N 3.07Å
326K54.2Low82Confident216 Ų21680.4 Ų80.494%0.93943%0.428SS*.THydrogen-bonded Turntrans-52-22.1-174.1-74.8-179.4177.1177.80115.2
327N55.7Low81.9Confident144 Ų14482.7 Ų82.777%0.7744%0.44SS*.THydrogen-bonded Turntrans-86.2-1.5-178.9-71.5-14.6000114.9G325 V329G325-N327 PolarHBondContact O-N 3.16Å; N327-V329 HydrophobicContact CB-CG2 4.1Å; N327-V329 PolarHBondContact O-N 3.37Å
328R59.1Low81.9Confident232 Ų23287.5 Ų87.588%0.87547%0.465SS*.  trans4532.7176.4-65.4-175174.1-124.91.2114.3G325 Q330G325-R328 PolarHBondContact O-N 2.92Å; G325-R328 VanDerWaalsContact O-N 3.07Å; R328-Q330 PolarHBondContact O-N 3.04Å
329V74.3Confident82Confident67 Ų6789.9 Ų89.941%0.40648%0.481SS..  trans-74105.3177.7-176.60000106.9W323 N327 N331W323-V329 HydrophobicContact CE3-CG1 4.46Å; W323-V329 HydrophobicContact CZ3-CG1 4.25Å; N327-V329 HydrophobicContact CB-CG2 4.1Å; N327-V329 PolarHBondContact O-N 3.37Å; V329-N331 PolarHBondContact O-N 2.83Å
330Q81.9Confident82.1Confident141 Ų14189.8 Ų89.866%0.65948%0.476SS*.  trans-60.8135.7176.2-177.2171.52.400109.1Q193 R328 P332Q193-Q330 PolarHBondContact NE2-O 3.28Å; Q193-Q330 PolarHBondContact OE1-O 2.71Å; R328-Q330 PolarHBondContact O-N 3.04Å; Q330-P332 WeakPolarHBondContact O-CD 3.35Å
331N88.6Confident82.4Confident15 Ų1584.3 Ų84.38%0.0845%0.452CS..  trans-54109.4177.6178.64.2000110L311 N312 W323 V329 Y333 S334L311-N331 PolarHBondContact O-ND2 2.81Å; N312-N331 PolarHBondContact O-ND2 3.48Å; W323-N331 HydrophobicContact CB-CB 4.4Å; W323-N331 HydrophobicContact CD2-CB 4.07Å; W323-N331 HydrophobicContact CE3-CB 4.48Å; W323-N331 HydrophobicContact CG-CB 4.01Å; V329-N331 PolarHBondContact O-N 2.83Å; N331-Y333 PolarHBondContact O-N 3.42Å; N331-Y333 VanDerWaalsContact O-N 3.16Å; N331-Y333 WeakPolarHBondContact OD1-CB 3.43Å; N331-Y333 VanDerWaalsContact OD1-CD2 3.27Å; N331-Y333 WeakPolarHBondContact OD1-CD2 3.33Å; N331-Y333 PolarHBondContact OD1-N 2.86Å; N331-S334 PolarHBondContact O-N 3.21Å; N331-S334 VanDerWaalsContact O-N 3.07Å
332P88.9Confident82.7Confident13 Ų1384.5 Ų84.58%0.08445%0.449CS..THydrogen-bonded Turntrans-69.2-13.9-175.528.1-33.9000112.8N191 W323 Q330N191-P332 PolarHBondContact ND2-O 3.15Å; W323-P332 HydrophobicContact CH2-CG 3.78Å; W323-P332 HydrophobicContact CZ3-CG 4Å; Q330-P332 WeakPolarHBondContact O-CD 3.35Å
333Y89.9Confident83.1Confident38 Ų3885 Ų8515%0.14945%0.452CS..THydrogen-bonded Turntrans-89.3-13.3176.7-51.5-74.5000112.4I190 P209 R210 N312 W323 N331I190-Y333 HydrophobicContact CD1-CE1 4.05Å; I190-Y333 WeakPolarHBondContact CD1-OH 3.25Å; I190-Y333 HydrophobicContact CG2-CE1 4.25Å; P209-Y333 VanDerWaalsContact CB-OH 3.27Å; P209-Y333 WeakPolarHBondContact CB-OH 3.47Å; R210-Y333 HydrophobicContact CG-CD2 4.45Å; R210-Y333 HydrophobicContact CG-CE1 4.22Å; R210-Y333 HydrophobicContact CG-CE2 3.75Å; N312-Y333 PolarHBondContact ND2-O 3.46Å; W323-Y333 HydrophobicContact CH2-CD2 4.42Å; W323-Y333 AromaticContact CH2-CE2 4Å; W323-Y333 HydrophobicContact CH2-CE2 4Å; W323-Y333 AromaticContact CZ2-CD2 3.95Å; W323-Y333 HydrophobicContact CZ2-CD2 3.95Å; W323-Y333 AromaticContact CZ2-CE2 3.71Å; W323-Y333 HydrophobicContact CZ2-CE2 3.71Å; N331-Y333 PolarHBondContact O-N 3.42Å; N331-Y333 VanDerWaalsContact O-N 3.16Å; N331-Y333 WeakPolarHBondContact OD1-CB 3.43Å; N331-Y333 VanDerWaalsContact OD1-CD2 3.27Å; N331-Y333 WeakPolarHBondContact OD1-CD2 3.33Å; N331-Y333 PolarHBondContact OD1-N 2.86Å
334S91.6Very high83.5Confident33 Ų3385.9 Ų85.923%0.23146%0.458CS..  trans-78.7133.9178.3-176.80000110.8N331 G336 N341N331-S334 PolarHBondContact O-N 3.21Å; N331-S334 VanDerWaalsContact O-N 3.07Å; S334-G336 PolarHBondContact O-N 3.37Å; S334-G336 PolarHBondContact OG-N 3.08Å; S334-N341 PolarHBondContact OG-ND2 3.36Å; S334-N341 VanDerWaalsContact OG-ND2 3.07Å
335H89.2Confident84.6Confident113 Ų11382.1 Ų82.152%0.52344%0.435SS..  trans-81.34.7172-70.9-67.8000113.6N337 K340 N341 E344H335-N337 PolarHBondContact O-N 3.08Å; H335-K340 HydrophobicContact CB-CB 3.9Å; H335-K340 HydrophobicContact CB-CD 4.34Å; H335-N341 WeakPolarHBondContact CB-OD1 3.23Å; H335-N341 PolarHBondContact N-OD1 3.43Å; H335-E344 IonicContact CD2-OE2 3.25Å; H335-E344 PolarHBondContact CD2-OE2 3.21Å; H335-E344 IonicContact NE2-OE2 2.71Å; H335-E344 PolarHBondContact NE2-OE2 3.29Å
336G88.1Confident86Confident64 Ų6481.6 Ų81.666%0.6642%0.418SS*.SBendtrans68.7-1.8-176.100000114.6S334S334-G336 PolarHBondContact O-N 3.37Å; S334-G336 PolarHBondContact OG-N 3.08Å
337N93.6Very high87.9Confident72 Ų7276 Ų7639%0.38541%0.406SS..  trans-126.3123.9178.8-179.4-67.5000109.7H335 V339 K340 N341H335-N337 PolarHBondContact O-N 3.08Å; N337-V339 VanDerWaalsContact C-N 3.32Å; N337-V339 PolarHBondContact O-N 2.77Å; N337-V339 WeakPolarHBondContact OD1-CA 3.24Å; N337-V339 WeakPolarHBondContact OD1-CB 3.25Å; N337-V339 PolarHBondContact OD1-N 3.48Å; N337-K340 HydrophobicContact CB-CB 4.12Å; N337-K340 HydrophobicContact CB-CD 4.17Å; N337-K340 HydrophobicContact CB-CG 4.07Å; N337-K340 PolarHBondContact O-N 2.92Å; N337-K340 PolarHBondContact OD1-N 2.98Å; N337-N341 PolarHBondContact O-N 3.49Å
338I95.1Very high89.5Confident110 Ų11069.7 Ų69.756%0.56438%0.375SS*.Hα-helixtrans-57.6-44.7-176.8-64.6170.7000111.3A310 N341 C342A310-I338 HydrophobicContact CB-CG1 4.36Å; A310-I338 HydrophobicContact CB-CG2 3.71Å; I338-N341 PolarHBondContact O-N 2.91Å; I338-C342 WeakPolarHBondContact O-CB 3.45Å; I338-C342 PolarHBondContact O-N 2.64Å; I338-C342 PolarHBondContact O-SG 2.89Å
339V95.1Very high90.9Very high97 Ų9764 Ų6459%0.58837%0.368SS*.Hα-helixtrans-65-44.2-178.6-1780000110.5N337 N341 C342 C343N337-V339 VanDerWaalsContact C-N 3.32Å; N337-V339 PolarHBondContact O-N 2.77Å; N337-V339 WeakPolarHBondContact OD1-CA 3.24Å; N337-V339 WeakPolarHBondContact OD1-CB 3.25Å; N337-V339 PolarHBondContact OD1-N 3.48Å; V339-N341 VanDerWaalsContact C-N 3.34Å; V339-N341 PolarHBondContact O-N 3.39Å; V339-C342 PolarHBondContact O-N 2.9Å; V339-C343 WeakPolarHBondContact O-CB 3.17Å; V339-C343 PolarHBondContact O-N 3.41Å; V339-C343 PolarHBondContact O-SG 3.05Å
340K94.4Very high91.5Very high132 Ų13263.9 Ų63.957%0.57436%0.364SS*.Hα-helixtrans-60.8-43.9176.3-69.5-172.6178.1179.90111.7H335 N337 C343 E344H335-K340 HydrophobicContact CB-CB 3.9Å; H335-K340 HydrophobicContact CB-CD 4.34Å; N337-K340 HydrophobicContact CB-CB 4.12Å; N337-K340 HydrophobicContact CB-CD 4.17Å; N337-K340 HydrophobicContact CB-CG 4.07Å; N337-K340 PolarHBondContact O-N 2.92Å; N337-K340 PolarHBondContact OD1-N 2.98Å; K340-C343 PolarHBondContact O-N 3.3Å; K340-E344 WeakPolarHBondContact O-CB 3.31Å; K340-E344 PolarHBondContact O-N 3.01Å
341N95.4Very high91.8Very high2 Ų259 Ų591%0.01135%0.345CS..Hα-helixtrans-60.9-48175.8-70.1-14.4000111.2V309 A310 N312 S334 H335 N337 I338 V339 C343 E344 V345V309-N341 WeakPolarHBondContact O-CB 3.15Å; A310-N341 PolarHBondContact O-ND2 2.91Å; N312-N341 HydrophobicContact CB-CB 4.18Å; S334-N341 PolarHBondContact OG-ND2 3.36Å; S334-N341 VanDerWaalsContact OG-ND2 3.07Å; H335-N341 WeakPolarHBondContact CB-OD1 3.23Å; H335-N341 PolarHBondContact N-OD1 3.43Å; N337-N341 PolarHBondContact O-N 3.49Å; I338-N341 PolarHBondContact O-N 2.91Å; V339-N341 VanDerWaalsContact C-N 3.34Å; V339-N341 PolarHBondContact O-N 3.39Å; N341-C343 PolarHBondContact O-N 3.44Å; N341-E344 PolarHBondContact O-N 3.1Å; N341-V345 VanDerWaalsContact O-CG2 3.29Å; N341-V345 WeakPolarHBondContact O-CG2 3.43Å; N341-V345 PolarHBondContact O-N 3.44Å
342C95Very high91.8Very high32 Ų3263.6 Ų63.622%0.21638%0.376CS..Hα-helixtrans-59-45.7176.2-67.80000112.1V309 I338 V339 V345 L346V309-C342 HydrophobicContact CG1-CB 4.15Å; I338-C342 WeakPolarHBondContact O-CB 3.45Å; I338-C342 PolarHBondContact O-N 2.64Å; I338-C342 PolarHBondContact O-SG 2.89Å; V339-C342 PolarHBondContact O-N 2.9Å; C342-V345 PolarHBondContact O-N 3.5Å; C342-L346 VanDerWaalsContact O-CB 3.25Å; C342-L346 WeakPolarHBondContact O-CB 3.47Å; C342-L346 WeakPolarHBondContact O-CG 3.37Å; C342-L346 PolarHBondContact O-N 2.82Å
343C94.8Very high92Very high64 Ų6465 Ų6543%0.43239%0.386SS..Iπ-helixtrans-64.4-41.8178.8-71.70000112.2V339 K340 N341 V345 C347 G348V339-C343 WeakPolarHBondContact O-CB 3.17Å; V339-C343 PolarHBondContact O-N 3.41Å; V339-C343 PolarHBondContact O-SG 3.05Å; K340-C343 PolarHBondContact O-N 3.3Å; N341-C343 PolarHBondContact O-N 3.44Å; C343-V345 PolarHBondContact O-N 3.07Å; C343-C347 CarbonylContact O-C 3.58Å; C343-C347 VanDerWaalsContact O-C 3.27Å; C343-C347 VanDerWaalsContact O-CA 3.23Å; C343-C347 WeakPolarHBondContact O-CA 3.35Å; C343-C347 VanDerWaalsContact O-CB 3.26Å; C343-C347 WeakPolarHBondContact O-CB 3.47Å; C343-C347 PolarHBondContact O-N 3.2Å; C343-G348 PolarHBondContact O-N 3.36Å
344E93.1Very high91.9Very high71 Ų7167.8 Ų67.833%0.33241%0.407SS..Iπ-helixtrans-61.1-45.8176.9-172.6-159143.800111.3N312 H335 K340 N341 G348N312-E344 PolarHBondContact ND2-OE1 2.78Å; N312-E344 VanDerWaalsContact ND2-OE1 3.12Å; N312-E344 PolarHBondContact ND2-OE2 2.69Å; H335-E344 IonicContact CD2-OE2 3.25Å; H335-E344 PolarHBondContact CD2-OE2 3.21Å; H335-E344 IonicContact NE2-OE2 2.71Å; H335-E344 PolarHBondContact NE2-OE2 3.29Å; K340-E344 WeakPolarHBondContact O-CB 3.31Å; K340-E344 PolarHBondContact O-N 3.01Å; N341-E344 PolarHBondContact O-N 3.1Å; E344-G348 WeakPolarHBondContact O-CA 3.49Å; E344-G348 PolarHBondContact O-N 2.88Å
345V93.4Very high91.7Very high13 Ų1369.4 Ų69.48%0.07941%0.412CS..Iπ-helixtrans-76.3-42.8-175.2179.80000112.5Y240 V309 N341 C342 C343Y240-V345 HydrophobicContact CD1-CG1 3.71Å; Y240-V345 HydrophobicContact CE1-CG1 3.71Å; V309-V345 HydrophobicContact CG1-CB 4.15Å; V309-V345 HydrophobicContact CG1-CG1 4.37Å; V309-V345 HydrophobicContact CG2-CG1 4.14Å; N341-V345 VanDerWaalsContact O-CG2 3.29Å; N341-V345 WeakPolarHBondContact O-CG2 3.43Å; N341-V345 PolarHBondContact O-N 3.44Å; C342-V345 PolarHBondContact O-N 3.5Å; C343-V345 PolarHBondContact O-N 3.07Å
346L94.6Very high91.4Very high44 Ų4469.7 Ų69.723%0.2342%0.418CS..Iπ-helixtrans-95.5-36.1-171.6-57.8179.5000112.9Y244 V309 C342Y244-L346 HydrophobicContact CD1-CD1 3.86Å; Y244-L346 HydrophobicContact CD1-CD2 3.48Å; Y244-L346 VanDerWaalsContact CD1-CD2 3.48Å; Y244-L346 HydrophobicContact CD1-CG 4.34Å; Y244-L346 HydrophobicContact CE1-CD1 3.62Å; Y244-L346 HydrophobicContact CE1-CD2 4.11Å; Y244-L346 HydrophobicContact CG-CD2 3.77Å; V309-L346 HydrophobicContact CG1-CD1 4.21Å; V309-L346 HydrophobicContact CG1-CG 4.15Å; C342-L346 VanDerWaalsContact O-CB 3.25Å; C342-L346 WeakPolarHBondContact O-CB 3.47Å; C342-L346 WeakPolarHBondContact O-CG 3.37Å; C342-L346 PolarHBondContact O-N 2.82Å
347C93.8Very high90.8Very high99 Ų9975.2 Ų75.267%0.66942%0.419SS*.Iπ-helixtrans-109.4-5.1-174.4-54.90000113.3C343C343-C347 CarbonylContact O-C 3.58Å; C343-C347 VanDerWaalsContact O-C 3.27Å; C343-C347 VanDerWaalsContact O-CA 3.23Å; C343-C347 WeakPolarHBondContact O-CA 3.35Å; C343-C347 VanDerWaalsContact O-CB 3.26Å; C343-C347 WeakPolarHBondContact O-CB 3.47Å; C343-C347 PolarHBondContact O-N 3.2Å
348G88.6Confident90.1Very high12 Ų1282.9 Ų82.912%0.12444%0.442CS..SBendtrans-61.2156.7179.400000113R241 C343 E344 L350R241-G348 VanDerWaalsContact CZ-O 3.27Å; R241-G348 PolarHBondContact NH1-O 3.32Å; R241-G348 PolarHBondContact NH2-O 3.4Å; C343-G348 PolarHBondContact O-N 3.36Å; E344-G348 WeakPolarHBondContact O-CA 3.49Å; E344-G348 PolarHBondContact O-N 2.88Å; G348-L350 PolarHBondContact O-N 3.39Å
349P89.2Confident89.1Confident113 Ų11379.5 Ų79.573%0.73443%0.434SS*.PPolyproline II helixtrans-57.6136.3175.525-33000110.1P351P349-P351 WeakPolarHBondContact O-CD 3.46Å
350L87.9Confident87.9Confident63 Ų6382.6 Ų82.633%0.3345%0.446SS..PPolyproline II helixtrans-78.1119.4173.7-173.167.5000107.4R238 G348R238-L350 HydrophobicContact CB-CD1 4.25Å; R238-L350 WeakPolarHBondContact O-CD1 3.46Å; G348-L350 PolarHBondContact O-N 3.39Å
351P86.9Confident86.5Confident39 Ų3983.6 Ų83.625%0.25346%0.457SS..PPolyproline II helixtrans-58.4164174.724.7-34.4000110.4K237 R238 P349K237-P351 HydrophobicContact CD-CG 4.15Å; K237-P351 HydrophobicContact CG-CG 4.49Å; R238-P351 HydrophobicContact CG-CG 4.28Å; R238-P351 PolarHBondContact NH1-O 2.98Å; P349-P351 WeakPolarHBondContact O-CD 3.46Å
352P89.9Confident84.9Confident111 Ų11189 Ų8972%0.72149%0.492SS*.PPolyproline II helixtrans-71.4160169.529.3-33.6000111.6R238R238-P352 PolarHBondContact NH1-O 2.79Å
353S91.4Very high83.3Confident42 Ų4295.4 Ų95.429%0.29452%0.523SS..PPolyproline II helixtrans-77.9138.3171.2-175.70000108D149 R238 L355D149-S353 WeakPolarHBondContact OD2-CB 3.24Å; D149-S353 PolarHBondContact OD2-OG 3.04Å; R238-S353 VanDerWaalsContact NH1-N 3.13Å; S353-L355 VanDerWaalsContact C-N 3.3Å; S353-L355 PolarHBondContact OG-N 3.05Å
354V89.8Confident81.4Confident97 Ų97101.1 Ų101.159%0.58854%0.544SS*.  trans-88.6-4.4173.8-65.50000112V152 P154V152-V354 VanDerWaalsContact O-CG2 3.25Å; V152-V354 WeakPolarHBondContact O-CG2 3.28Å; P154-V354 HydrophobicContact CG-CB 4.47Å; P154-V354 HydrophobicContact CG-CG2 4.11Å
355L86.6Confident79.1Confident67 Ų67106.9 Ų106.935%0.35157%0.571SS.*  trans-85.3120.5176.1-63.7-177000110.4V152 P154 S353 R357V152-L355 HydrophobicContact CB-CD1 3.91Å; V152-L355 HydrophobicContact CB-CD2 4.32Å; V152-L355 HydrophobicContact CB-CG 4.33Å; V152-L355 HydrophobicContact CG1-CD1 4.36Å; V152-L355 HydrophobicContact CG1-CD2 4.11Å; V152-L355 HydrophobicContact CG2-CD1 4.43Å; P154-L355 HydrophobicContact CG-CD2 4.45Å; S353-L355 VanDerWaalsContact C-N 3.3Å; S353-L355 PolarHBondContact OG-N 3.05Å; L355-R357 PolarHBondContact O-N 3.26Å
356D82.1Confident76.8Confident119 Ų119111.9 Ų111.964%0.63661%0.606SS**  trans-78.898.4164.9-174.23.6000110.1R358 G359D356-R358 PolarHBondContact O-N 3.44Å; D356-R358 PolarHBondContact OD1-N 3.16Å; D356-G359 PolarHBondContact O-N 3.31Å; D356-G359 PolarHBondContact OD1-N 2.96Å; D356-G359 VanDerWaalsContact OD1-N 3.07Å; D356-G359 WeakPolarHBondContact OD2-CA 3.22Å; D356-G359 PolarHBondContact OD2-N 3.03Å
357R76.4Confident74.6Confident181 Ų181113.5 Ų113.568%0.68363%0.633SS**THydrogen-bonded Turntrans-67.4-16.9177.7-65.6-178.2179.5-165.6-6.3113.4L355L355-R357 PolarHBondContact O-N 3.26Å
358R79.5Confident71.8Confident232 Ų232114.5 Ų114.588%0.87564%0.641SS**THydrogen-bonded Turntrans-111.51.1-176.6-63.4-178.6-179.2179.80.2112.2D356D356-R358 PolarHBondContact O-N 3.44Å; D356-R358 PolarHBondContact OD1-N 3.16Å
359G72.6Confident69.3Low39 Ų39125.1 Ų125.140%0.40268%0.677SS.*PPolyproline II helixtrans-63.5136.1179.500000111.1D356D356-G359 PolarHBondContact O-N 3.31Å; D356-G359 PolarHBondContact OD1-N 2.96Å; D356-G359 VanDerWaalsContact OD1-N 3.07Å; D356-G359 WeakPolarHBondContact OD2-CA 3.22Å; D356-G359 PolarHBondContact OD2-N 3.03Å
360I69.9Low66.8Low163 Ų163124.9 Ų124.984%0.83668%0.676SS**PPolyproline II helixtrans-82.9120.3171.2-59.6172.3000106.2P362I360-P362 WeakPolarHBondContact O-CD 3.16Å
361L65.3Low64.2Low152 Ų152128 Ų12880%0.79670%0.7SS**PPolyproline II helixtrans-63.4124.9170.6-67.7174.5000107.8L363L361-L363 PolarHBondContact O-N 3.16Å; L361-L363 VanDerWaalsContact O-N 3.14Å
362P62.3Low61.7Low115 Ų115131.2 Ų131.275%0.74772%0.724SS**PPolyproline II helixtrans-53.8124.7168.3-20.831.9000107.7I360 E364I360-P362 WeakPolarHBondContact O-CD 3.16Å; P362-E364 PolarHBondContact O-N 3.19Å; P362-E364 VanDerWaalsContact O-N 3.15Å
363L60.4Low58.9Low168 Ų168132.3 Ų132.388%0.8873%0.728SS**PPolyproline II helixtrans-60.8121.1170.5-70.7170.3000106.1L361 E365L361-L363 PolarHBondContact O-N 3.16Å; L361-L363 VanDerWaalsContact O-N 3.14Å; L363-E365 PolarHBondContact O-N 3.36Å
364E56.8Low56.1Low184 Ų184139.2 Ų139.286%0.8676%0.756SS**  trans-57.2111.7171.3-67-146.1141.800107.6P362 S366P362-E364 PolarHBondContact O-N 3.19Å; P362-E364 VanDerWaalsContact O-N 3.15Å; E364-S366 VanDerWaalsContact C-N 3.31Å; E364-S366 PolarHBondContact O-N 3.29Å
365E44.2Very low53.4Low192 Ų192143.1 Ų143.190%0.89777%0.768SS**  trans-68.498.2175-154.5171-163.200106.4L363 G367L363-E365 PolarHBondContact O-N 3.36Å; E365-G367 PolarHBondContact O-N 2.99Å
366S44.6Very low50.6Low118 Ų118146.5 Ų146.583%0.82579%0.791SS**  trans-58.3101.1177.954.60000110E364E364-S366 VanDerWaalsContact C-N 3.31Å; E364-S366 PolarHBondContact O-N 3.29Å
367G49.2Very low48.1Very low77 Ų77146.2 Ų146.279%0.79480%0.799SS**  trans80.785.6152.600000117.1E365E365-G367 PolarHBondContact O-N 2.99Å
368S34.1Very low46.1Very low120 Ų120143 Ų14384%0.83980%0.804SS**  trans-102103.3146.560.70000108.9
369R36.3Very low43.7Very low235 Ų235136.8 Ų136.889%0.88780%0.796SS**PPolyproline II helixtrans-53.3139.3168.9-162.1177.3-167.6-176.62.1109.1
370P37Very low41.7Very low108 Ų108142.4 Ų142.470%0.70182%0.816SS**PPolyproline II helixtrans-61.8145.8173.825.8-32000109.7S372P370-S372 PolarHBondContact O-N 3.13Å; P370-S372 VanDerWaalsContact O-N 3.16Å
371P33.3Very low39.6Very low128 Ų128142.8 Ų142.883%0.83182%0.819SS**PPolyproline II helixtrans-62.6120.2-179.924.8-30.6000109.2T373P371-T373 PolarHBondContact O-N 3.19Å
372S33.4Very low38.1Very low108 Ų108140.5 Ų140.576%0.75581%0.813SS**PPolyproline II helixtrans-63121.6169.552.50000108.7P370 Q374P370-S372 PolarHBondContact O-N 3.13Å; P370-S372 VanDerWaalsContact O-N 3.16Å; S372-Q374 PolarHBondContact O-N 3.21Å
373T33.1Very low36.5Very low133 Ų133144 Ų14482%0.81682%0.82SS**PPolyproline II helixtrans-48.4119167.2-33.70000108.9P371 E375P371-T373 PolarHBondContact O-N 3.19Å; T373-E375 PolarHBondContact O-N 3.26Å; T373-E375 VanDerWaalsContact O-N 3.13Å
374Q31Very low35Very low187 Ų187143.9 Ų143.987%0.87482%0.82SS**  trans-69.2104.6170.1-76.5-177.2-14.300107.9S372 T376S372-Q374 PolarHBondContact O-N 3.21Å; Q374-T376 PolarHBondContact O-N 3.09Å
375E32.7Very low33.9Very low180 Ų180140.9 Ų140.984%0.84182%0.816SS**  trans-76.5111.2156.2-73.3-167163.300108T373 S377T373-E375 PolarHBondContact O-N 3.26Å; T373-E375 VanDerWaalsContact O-N 3.13Å; E375-S377 PolarHBondContact O-N 3.42Å; E375-S377 VanDerWaalsContact O-N 3.09Å
376T28.9Very low33.1Very low137 Ų137136.2 Ų136.284%0.8481%0.811SS**  trans-55.2106164.226.60000109.7Q374Q374-T376 PolarHBondContact O-N 3.09Å
377S29.8Very low33Very low113 Ų113135.9 Ų135.979%0.7981%0.806SS**  trans-84.9116164.643.30000109.1E375E375-S377 PolarHBondContact O-N 3.42Å; E375-S377 VanDerWaalsContact O-N 3.09Å
378S32.9Very low31.9Very low115 Ų115138 Ų13880%0.80480%0.804SS**  trans-88.1105.6160.7-640000108.2
379S30.3Very low31.6Very low100 Ų100139.6 Ų139.670%0.69980%0.798SS**  trans-0.5139.4130.8-71.60000115.6
380L29.7Very low31.3Very low158 Ų158137 Ų13783%0.82780%0.795SS**  cis-173.8154.120-90.2147.4000105.3
381L27.4Very low30.8Very low170 Ų170139 Ų13989%0.8980%0.799SS**  trans-175.6154.9138.6-93.6-178.9000109.3
382P33.7Very low30.5Very low105 Ų105139.6 Ų139.668%0.68280%0.795SS**  trans-112.2151.2-143.222.3-2.1000115.9
383Q27.5Very low30.2Very low189 Ų189138.3 Ų138.388%0.88379%0.786SS**  trans34.9114.7144.4-62.4179.83.900119.9
384N29.5Very low29.9Very low165 Ų165138.9 Ų138.988%0.88279%0.785SS**  trans-75.4154.9153.7-87.6-13.3000111.3
385P33.7Very low29.8Very low120 Ų120139.1 Ų139.178%0.77979%0.786SS**  trans-104.9142.2147.932.2-19.9000111.9
386A26.8Very low29.7Very low95 Ų95136.8 Ų136.879%0.78578%0.776SS**  trans-69.5-177162.800000110.2
387P42.3Very low30Very low111 Ų111136.1 Ų136.172%0.72177%0.774SS**  cis-133.8-177.41233.6-8.5000112.5
388T27.6Very low30Very low122 Ų122138.9 Ų138.975%0.74878%0.775SS**  174.4159.180.1-27.30000110
389E26.8Very low29.7Very low153 Ų153140.8 Ų140.872%0.71578%0.776SS**  trans-37.4154.6178.5-55.8-178.913300119.2
390H29.3Very low29.6Very low181 Ų181140.5 Ų140.584%0.83877%0.774SS**  -174.6153.8111.1-100.2-74.8000114.5
391L27.8Very low29.8Very low148 Ų148138.8 Ų138.878%0.77578%0.775SS**  trans-67.1142.8-172.6-101.482.4000117.1
392N26.4Very low30Very low141 Ų141137.2 Ų137.275%0.75477%0.773SS**  70.9140.7121.4-135.227.5000124.2
393S26.6Very low30.2Very low81 Ų81137.6 Ų137.657%0.56678%0.775SS**  trans82.3124.5143.242.80000123.2
394N27.2Very low30.5Very low146 Ų146137.7 Ų137.778%0.78178%0.776SS**  trans67.4119.5139.7-60.6-6.3000119.5
395E28.5Very low30.6Very low192 Ų192139.1 Ų139.190%0.89778%0.777SS**  174.4144.493.3-116.7168.311700110.4
396M30.2Very low30.8Very low130 Ų130141.8 Ų141.864%0.6478%0.781SS**  trans-99.8156.5166.4-139.5-171.270.900107.5E398M396-E398 HydrophobicContact CE-CB 4.17Å; M396-E398 HydrophobicContact CE-CG 3.51Å
397P35.6Very low32.2Very low124 Ų124142.8 Ų142.881%0.80578%0.78SS**  -140.5153113.826.8-8.4000114.5
398E29.3Very low32.6Very low170 Ų170143.2 Ų143.279%0.79478%0.782SS**  trans-62.1140.8164.3-86.3154.3157.500110.8M396M396-E398 HydrophobicContact CE-CB 4.17Å; M396-E398 HydrophobicContact CE-CG 3.51Å
399D27.3Very low33.6Very low155 Ų155143.5 Ų143.583%0.82979%0.787SS**  trans-148.4146.6134.2-149.4-6000112.1
400S28.3Very low34.9Very low94 Ų94145.2 Ų145.266%0.65780%0.795SS**  trans-76.3146.5-170.258.40000114.8
401S33Very low36Very low123 Ų123142.1 Ų142.186%0.8679%0.791SS**  trans178.3112.2139.438.90000111.4
402T33.6Very low37.3Very low136 Ų136141.1 Ų141.183%0.83479%0.793SS**  trans-95.9150.2154.937.90000108.6
403P37.1Very low38.6Very low113 Ų113143.1 Ų143.173%0.73480%0.798SS**  -145.1145.6104.929.2-9.8000116.8
404E33.3Very low39.6Very low192 Ų192144.6 Ų144.690%0.89781%0.805SS**  trans69.7117.6139.1-67.3-174.7127.500122.4
405E31.7Very low40.6Very low194 Ų194143.9 Ų143.991%0.90781%0.809SS**PPolyproline II helixtrans-90124.2172.6-172.9175.9147.400109.3
406M37.5Very low41.2Very low177 Ų177144 Ų14487%0.87281%0.809SS**PPolyproline II helixtrans-74.6136.4173.8-89-178.9-68.500111.5
407P57.1Low41.6Very low116 Ų116147.1 Ų147.175%0.75382%0.822SS**PPolyproline II helixtrans-79.7153.7171.231.4-31.6000112.4
408P50.8Low41.9Very low119 Ų119146.1 Ų146.177%0.77383%0.825SS**PPolyproline II helixtrans-78.5157.5-179.731.1-33.3000113.2
409P47.8Very low42.5Very low129 Ų129142.2 Ų142.284%0.83882%0.822SS**PPolyproline II helixtrans-78.1148.6-171.730.5-34.6000114.6
410E55Low43.2Very low189 Ų189144.2 Ų144.288%0.88383%0.826SS**PPolyproline II helixtrans-72.9150.9175.5-80.4-177.915000113.8
411P52.5Low43.8Very low116 Ų116143.6 Ų143.675%0.75383%0.826SS**PPolyproline II helixtrans-82.5152.3173.931.9-31.8000113.3
412P53.6Low44.5Very low126 Ų126147 Ų14782%0.81883%0.828SS**PPolyproline II helixtrans-74.8145.3-175.329.2-34000114.1
413E54.5Low44.8Very low183 Ų183153.7 Ų153.786%0.85585%0.846SS**PPolyproline II helixtrans-66.5149.4177.5-72.1-175147.400113.9
414P48.7Very low45.2Very low112 Ų112155.8 Ų155.873%0.72785%0.852SS**PPolyproline II helixtrans-79148.2173.431-31.8000112.5
415P47.7Very low45.8Very low132 Ų132153.8 Ų153.886%0.85785%0.85SS**PPolyproline II helixtrans-66.2135.7179.4-17.930.3000113.2
416Q41.2Very low46.6Very low193 Ų193151.6 Ų151.690%0.90285%0.846SS**PPolyproline II helixtrans-66.1136.5176.5-70.3174.8-23.200112.4
417E38.3Very low47.2Very low196 Ų196150.1 Ų150.192%0.91685%0.845SS**  trans-77115.7173.5-156172.2-176.300108.8
418A42.5Very low46.6Very low104 Ų104152.3 Ų152.386%0.8685%0.851SS**  trans-94.7108.9170.800000109
419A41.6Very low46.3Very low88 Ų88154.5 Ų154.573%0.72786%0.856SS**  trans-91166.1163.200000110.3
420E41.1Very low46.2Very low197 Ų197156.3 Ų156.392%0.92186%0.857SS**  trans95.3135.5176.1-59.1-175.1160.900115.3
421A41.8Very low45.5Very low81 Ų81153.8 Ų153.867%0.66986%0.855SS**  cis-169.1160.6-6.700000108.9
422E47.1Very low44.9Very low193 Ų193156.9 Ų156.990%0.90286%0.864SS**  trans39.6120.1152.7-73.9-177.4100.100121.8
423K40.9Very low44.1Very low278 Ų278159.7 Ų159.7100%1.20987%0.868SS**  -170.9098.4-160.4172.8-175.6-1790112.1

Retrieved 423 of 423 residues in 1016.8 ms (Link to these results)