A0A5K4FCN2_SCHMA Loading...

Male-enhanced antigen 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FCN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 220 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.6Very low54.5Low244 Ų244160.5 Ų160.5100%1.20288%0.876SS**  082.80-170.6166.8-171.800108.7
2V45Very low55.4Low130 Ų130157.8 Ų157.879%0.78887%0.871SS**  trans-156.7112.4157-1620000105.6T4V2-T4 HydrophobicContact CG1-CG2 4.22Å
3M44.2Very low55.5Low192 Ų192155.3 Ų155.395%0.94686%0.856SS**  trans-122.9108.8171.3-79.3174.8169.100106.3
4T55.6Low55.7Low119 Ų119152.7 Ų152.773%0.7385%0.85SS**  trans-121.494.5178.346.20000109.9V2V2-T4 HydrophobicContact CG1-CG2 4.22Å
5K58.1Low55.6Low197 Ų197150.9 Ų150.986%0.85784%0.838SS**  trans27.1112.5141.2-41.4-162.8-173.9-173.60117.5
6F54.2Low55.6Low219 Ų219151.4 Ų151.496%0.96184%0.839SS**PPolyproline II helixtrans-76.9127.6158.3-77.9-91.3000109.3
7S56.1Low55.3Low116 Ų116153.5 Ų153.581%0.81184%0.841SS**PPolyproline II helixtrans-85.8138.8171.8-710000110.4
8E59.2Low55.2Low189 Ų189154.1 Ų154.188%0.88384%0.841SS**PPolyproline II helixtrans-64.4146.8174.3-72168.9143.200112.3
9P64.8Low54.9Low126 Ų126149.6 Ų149.682%0.81884%0.835SS**PPolyproline II helixtrans-78135.6171.431-31.4000111.8
10S59.3Low54.6Low124 Ų124149.4 Ų149.487%0.86783%0.831SS**PPolyproline II helixtrans-72.7135.9178.9-143.70000111.8
11S61.9Low54.5Low110 Ų110150 Ų15077%0.76983%0.834SS**PPolyproline II helixtrans-68.9149.4177.1-59.10000113
12P64.6Low54.8Low127 Ų127145.7 Ų145.783%0.82581%0.81SS**PPolyproline II helixtrans-77.4138.2-179.7-7.925.9000112.5
13N57.5Low55.2Low126 Ų126145.8 Ų145.867%0.67481%0.806SS**PPolyproline II helixtrans-81.4131.5175.4-176.234.3000110.7N15N13-N15 PolarHBondContact O-N 3.5Å
14P57.4Low55.2Low119 Ų119143 Ų14377%0.77380%0.795SS**SBendtrans-86.530.9-169.633.6-36.1000116.3
15N53.9Low54.9Low126 Ų126143.5 Ų143.567%0.67479%0.793SS**  trans-118.317.2-170.3-75.2-9.4000117.1N13 E17N13-N15 PolarHBondContact O-N 3.5Å; N15-E17 PolarHBondContact O-N 3.49Å
16D56.5Low54.1Low158 Ų158144.4 Ų144.485%0.84579%0.793SS**  trans-93.986.6175.4-74.1-24.6000111.6
17E50.1Low53.9Low188 Ų188141.3 Ų141.388%0.87979%0.785SS**  trans-83.696.4167.4-175.6-176.3-148.700109.3N15N15-E17 PolarHBondContact O-N 3.49Å
18I53.9Low53.2Low163 Ų163143.3 Ų143.384%0.83679%0.786SS**  trans-145110.9166.8-59.4-178.3000111.2
19G48.8Very low52.2Low70 Ų70137.4 Ų137.472%0.72278%0.776SS**  85.8105.6120.500000119.7
20D50.3Low51.2Low144 Ų144137.6 Ų137.677%0.7778%0.775SS**  trans11123.4143.8-89.8-30.9000119.3
21N51.9Low50.5Low164 Ų164139.2 Ų139.288%0.87777%0.774SS**  -162.3116.2122.2-107.6-36.2000111.7
22H46.9Very low49.7Very low152 Ų152142.7 Ų142.770%0.70478%0.778SS**  trans-56.3130.1163.2-91.4-84.5000110.8D24H22-D24 IonicContact ND1-OD2 3.93Å
23N53.2Low49Very low132 Ų132144.2 Ų144.271%0.70678%0.779SS**  trans-146.988.3153.2-163.523.9000108.9N25N23-N25 PolarHBondContact O-N 2.92Å; N23-N25 VanDerWaalsContact O-N 3.11Å
24D44.3Very low48.7Very low134 Ų134146.1 Ų146.172%0.71779%0.788SS**  trans-74.793.1170.7-65.2-45.4000108.7H22H22-D24 IonicContact ND1-OD2 3.93Å
25N50.3Low48.7Very low129 Ų129147.7 Ų147.769%0.6979%0.788SS**  trans-110.1107.7168.9-112.2-12.7000109.4N23 I27N23-N25 PolarHBondContact O-N 2.92Å; N23-N25 VanDerWaalsContact O-N 3.11Å; N25-I27 PolarHBondContact O-N 3.01Å
26Y41.8Very low48.4Very low216 Ų216148.1 Ų148.185%0.84779%0.79SS**  trans-50118.9166.7-86-99.3000110.7
27I48.4Very low48.1Very low155 Ų155145.2 Ų145.280%0.79578%0.782SS**  trans-118.2104.9158.5-63.4-176.9000106.8N25 G29N25-I27 PolarHBondContact O-N 3.01Å; I27-G29 PolarHBondContact O-N 3.09Å
28N41.8Very low48Very low158 Ų158141.5 Ų141.585%0.84577%0.773SS**  trans-63.9114.4160.9-76.3-23.9000108
29G38.9Very low47.8Very low65 Ų65139.4 Ų139.467%0.6777%0.767SS**  trans-139.1100173.600000108.8I27I27-G29 PolarHBondContact O-N 3.09Å
30T43.3Very low47.9Very low129 Ų129142 Ų14279%0.79176%0.763SS**  trans-46130.6167.8490000111.8
31N44.9Very low47.9Very low158 Ų158138.9 Ų138.985%0.84575%0.751SS**  -174.5122.5123.4-81-26.5000108.3
32E45Very low47.6Very low184 Ų184136 Ų13686%0.8674%0.739SS**  trans-81.2129.1177.9-38.1-155.7167.200108.2
33D50.6Low47.6Very low158 Ų158131.6 Ų131.685%0.84574%0.735SS**  trans-161.583.4154.1-91.7-27.2000106.1I35D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 2.71Å; D33-I35 VanDerWaalsContact O-N 3.1Å
34I50.8Low47.4Very low167 Ų167135.6 Ų135.686%0.85674%0.742SS**  trans-73.296.4166.1-63172.8000105.5D36I34-D36 PolarHBondContact O-N 3.26Å; I34-D36 VanDerWaalsContact O-N 3.08Å
35I56.5Low47.7Very low151 Ų151133.1 Ų133.177%0.77474%0.739SS**  trans-68100.6164.945.9168.8000107.9D33 S37D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 2.71Å; D33-I35 VanDerWaalsContact O-N 3.1Å; I35-S37 PolarHBondContact O-N 3.24Å
36D47.4Very low47.9Very low136 Ų136134.7 Ų134.773%0.72775%0.747SS**  trans-64.897.5168-167.115.6000107.8I34 T38I34-D36 PolarHBondContact O-N 3.26Å; I34-D36 VanDerWaalsContact O-N 3.08Å; D36-T38 PolarHBondContact O-N 2.94Å; D36-T38 PolarHBondContact O-OG1 2.83Å
37S51.4Low48.2Very low96 Ų96132.7 Ų132.767%0.67175%0.75SS**  trans-76.982.5176.5-173.50000108I35 V39I35-S37 PolarHBondContact O-N 3.24Å; S37-V39 VanDerWaalsContact C-N 3.32Å; S37-V39 PolarHBondContact O-N 2.72Å
38T48.1Very low48.2Very low111 Ų111129 Ų12968%0.68175%0.751SS**  trans-70.293.5170-14.70000107.7D36 I40D36-T38 PolarHBondContact O-N 2.94Å; D36-T38 PolarHBondContact O-OG1 2.83Å; T38-I40 PolarHBondContact O-N 3.34Å
39V49.2Very low48.5Very low119 Ų119126.4 Ų126.472%0.72174%0.744SS**  trans-74.8113.3172.11780000107.3S37 P41S37-V39 VanDerWaalsContact C-N 3.32Å; S37-V39 PolarHBondContact O-N 2.72Å; V39-P41 VanDerWaalsContact O-CD 3.25Å; V39-P41 WeakPolarHBondContact O-CD 2.95Å
40I51.4Low49.2Very low123 Ų123131.4 Ų131.463%0.63175%0.75SS**  trans-82.6113.5177.8-55.4172.6000108.4T38 V42 W159T38-I40 PolarHBondContact O-N 3.34Å; I40-V42 PolarHBondContact O-N 3.31Å; I40-W159 HydrophobicContact CG2-CZ2 4.35Å
41P50.6Low49.7Very low80 Ų80131.9 Ų131.952%0.51975%0.746SS.*  trans-74.1109.5170.929.3-31000109.3V39 G43V39-P41 VanDerWaalsContact O-CD 3.25Å; V39-P41 WeakPolarHBondContact O-CD 2.95Å; P41-G43 PolarHBondContact O-N 2.91Å
42V44.8Very low50.1Low104 Ų104129 Ų12963%0.6373%0.734SS**  trans-79.896.2167.7178.70000107.5I40I40-V42 PolarHBondContact O-N 3.31Å
43G47.2Very low50.7Low59 Ų59128 Ų12861%0.60873%0.729SS**PPolyproline II helixtrans-98.8145.6169.400000111P41P41-G43 PolarHBondContact O-N 2.91Å
44Y48.4Very low51.2Low216 Ų216128.8 Ų128.885%0.84773%0.73SS**PPolyproline II helixtrans-93.9122.1172.9-63.7-88.4000109.3
45A51.3Low51.5Low81 Ų81125.6 Ų125.667%0.66973%0.729SS**PPolyproline II helixtrans-81.6136.2170.100000110.5L47A45-L47 PolarHBondContact O-N 3.42Å
46L54.2Low51.8Low162 Ų162125 Ų12585%0.84873%0.727SS**  trans-67.9102167.6-89.3121.8000109.1G48L46-G48 PolarHBondContact O-N 2.67Å
47L47.8Very low52.3Low175 Ų175125 Ų12592%0.91673%0.727SS**THydrogen-bonded Turntrans-62.3120.8166.5-71.3161.4000108.7A45A45-L47 PolarHBondContact O-N 3.42Å
48G49Very low52.6Low78 Ų78125.5 Ų125.580%0.80473%0.731SS**THydrogen-bonded Turntrans125.912.8169.300000117.9L46L46-G48 PolarHBondContact O-N 2.67Å
49S47.7Very low53.1Low102 Ų102128.1 Ų128.171%0.71374%0.739SS**  trans-109.348.6173.9-52.50000112.3I51S49-I51 PolarHBondContact O-N 2.98Å
50E52.8Low53.9Low170 Ų170131 Ų13179%0.79474%0.744SS**  trans-72.2120.7169.771.3-179.2-165.800109.6V52E50-V52 HydrophobicContact CG-CG2 4.22Å; E50-V52 PolarHBondContact O-N 2.71Å
51I55.4Low54.4Low139 Ų139131.1 Ų131.171%0.71375%0.746SS**  trans-80.4101.7165.9-61.5178.1000105.7S49 H53S49-I51 PolarHBondContact O-N 2.98Å; I51-H53 PolarHBondContact O-N 3.31Å
52V52.1Low54.9Low97 Ų97134.7 Ų134.759%0.58876%0.761SS**  trans-67.2101.6168.8-1780000107.5E50 M54E50-V52 HydrophobicContact CG-CG2 4.22Å; E50-V52 PolarHBondContact O-N 2.71Å; V52-M54 PolarHBondContact O-N 3.08Å
53H58.6Low55.5Low164 Ų164136 Ų13676%0.75976%0.764SS**  trans-67.3104166.2-72.1-65.8000107.9I51 A55I51-H53 PolarHBondContact O-N 3.31Å; H53-A55 PolarHBondContact O-N 2.63Å
54M61Low56.1Low174 Ų174140.7 Ų140.786%0.85778%0.776SS**  trans-62.198.3169.1-67.1-78.1-67.200108V52 D56V52-M54 PolarHBondContact O-N 3.08Å; M54-D56 PolarHBondContact O-N 3.44Å
55A56.1Low56.4Low100 Ų100138.2 Ų138.283%0.82678%0.777SS**  trans-72102.5165.700000107.8H53H53-A55 PolarHBondContact O-N 2.63Å
56D62.6Low56.9Low140 Ų140139.8 Ų139.875%0.74978%0.783SS**  trans-71.5118.8156.8-170.719.2000106.9M54M54-D56 PolarHBondContact O-N 3.44Å
57D58.8Low57Low134 Ų134141.2 Ų141.272%0.71779%0.785SS**  trans170121.5130.4-89-29.2000111.9
58S57.4Low57.5Low107 Ų107140.7 Ų140.775%0.74878%0.782SS**  trans6195.5150.752.10000118.7E60S58-E60 PolarHBondContact O-N 2.7Å
59I58.4Low57.7Low166 Ų166143.5 Ų143.585%0.85178%0.779SS**  trans-69.6111.3154.9-65.1166.6000107.9
60E66.1Low57.9Low180 Ų180145 Ų14584%0.84178%0.779SS**  trans-101.6111.1153.4-83.6-168.516600108.5S58 N62S58-E60 PolarHBondContact O-N 2.7Å; E60-N62 PolarHBondContact O-N 3.07Å
61D61.1Low58Low125 Ų125145.3 Ų145.367%0.66879%0.785SS**  trans-52.2122.4166-102.9-35.8000110.4
62N61.8Low57.9Low156 Ų156143.2 Ų143.283%0.83478%0.783SS**  trans-148.898.5148.8-97-49.2000109.9E60 N64E60-N62 PolarHBondContact O-N 3.07Å; N62-N64 PolarHBondContact O-N 3.47Å
63N57.1Low57.6Low130 Ų130146.1 Ų146.170%0.69580%0.795SS**  trans-57126.2166.9-62-65000110.1
64N59.8Low57.5Low159 Ų159143.5 Ų143.585%0.8580%0.795SS**  trans-147.695.5152.5-102.8-22000108.1N62N62-N64 PolarHBondContact O-N 3.47Å
65D55.7Low56.9Low164 Ų164143.5 Ų143.588%0.87779%0.793SS**  trans-64.6123.2161.8-69.6-40.3000108.8
66S61.2Low57Low114 Ų114145.3 Ų145.380%0.79779%0.788SS**  trans-147.5112.9156.453.50000109
67E55.7Low56.5Low191 Ų191145 Ų14589%0.89379%0.787SS**  trans-42.1136.6170.3-65.2171.613100112.1
68I58.5Low55.9Low165 Ų165147.6 Ų147.685%0.84680%0.795SS**  trans-136.7118.1148.9-129.9167.9000110.4
69N54.6Low55.5Low137 Ų137149.1 Ų149.173%0.73379%0.793SS**  trans-19.2127160.5-65.8-14.6000114.7
70D50.5Low54.9Low134 Ų134148.7 Ų148.772%0.71779%0.787SS**  64.697.376.3-162.724.3000111.5
71L56.4Low54Low175 Ų175146.5 Ų146.592%0.91678%0.781SS**  trans-155.2134.8144.8-78.6-169.3000110.8
72S52.7Low53.3Low96 Ų96146.6 Ų146.667%0.67178%0.782SS**  trans-71.6155.5-165.4-47.80000116.8
73D46.4Very low52.5Low158 Ų158146 Ų14685%0.84578%0.777SS**  trans18.3120131.8-55.6-28.9000118.4
74S55.7Low51.6Low108 Ų108145.5 Ų145.576%0.75578%0.779SS**  trans-141.7113.8137.9-171.90000108.6
75E49.2Very low50.7Low175 Ų175144.9 Ų144.982%0.81877%0.774SS**  trans-46.9146.3155.2-60.9172.213700109.8
76N57.6Low50.1Low137 Ų137141.6 Ų141.673%0.73376%0.763SS**  trans-166.9106.7145.9-83.2-33.4000109.4
77D52.9Low48.9Very low134 Ų134145.4 Ų145.472%0.71777%0.769SS**  trans62.1102131.5-55.8-20.7000120I79D77-I79 PolarHBondContact O-N 3.3Å
78E45.5Very low48Very low189 Ų189143.6 Ų143.688%0.88376%0.76SS**  trans-2.8101.6136.9-62.2-177.6160.900115.5
79I49.2Very low47Very low139 Ų139142.9 Ų142.971%0.71376%0.757SS**  trans-105.483.7154.7-56.9178.9000106.9D77 N81D77-I79 PolarHBondContact O-N 3.3Å; I79-N81 HydrophobicContact CG2-CB 4.39Å; I79-N81 VanDerWaalsContact CG2-ND2 3.25Å; I79-N81 WeakPolarHBondContact CG2-ND2 3.47Å; I79-N81 PolarHBondContact O-N 3.18Å
80E44.6Very low46.2Very low157 Ų157140.4 Ų140.473%0.73475%0.75SS**  trans-71.272.5169.8-160.3-177.7-15700109.5N82E80-N82 PolarHBondContact O-N 2.93Å
81N47.9Very low45.4Very low134 Ų134141.2 Ų141.272%0.71776%0.755SS**  trans-88.161.1166.6-75.3-24.9000109.5I79 I83I79-N81 HydrophobicContact CG2-CB 4.39Å; I79-N81 VanDerWaalsContact CG2-ND2 3.25Å; I79-N81 WeakPolarHBondContact CG2-ND2 3.47Å; I79-N81 PolarHBondContact O-N 3.18Å; N81-I83 PolarHBondContact O-N 3.18Å
82N45.6Very low44.8Very low127 Ų127141.4 Ų141.468%0.67975%0.749SS**  trans-71.299.3168.1-98.8-19.5000108.6E80 V84E80-N82 PolarHBondContact O-N 2.93Å; N82-V84 PolarHBondContact O-N 3.01Å
83I44.9Very low44.1Very low143 Ų143145.6 Ų145.673%0.73376%0.757SS**  trans-61.1101.5168.7-60179.4000107.5N81 I85N81-I83 PolarHBondContact O-N 3.18Å; I83-I85 HydrophobicContact CG2-CD1 4.14Å; I83-I85 HydrophobicContact CG2-CG1 3.5Å; I83-I85 VanDerWaalsContact CG2-CG1 3.5Å; I83-I85 PolarHBondContact O-N 3.06Å
84V39.6Very low43.7Very low120 Ų120143.5 Ų143.573%0.72776%0.755SS**  trans-68.585.7166.5177.10000107.6N82 S86N82-V84 PolarHBondContact O-N 3.01Å; V84-S86 WeakPolarHBondContact CG1-OG 3.24Å; V84-S86 PolarHBondContact O-N 3.35Å; V84-S86 VanDerWaalsContact O-N 3.08Å
85I40.7Very low43Very low146 Ų146145.9 Ų145.975%0.74976%0.758SS**  trans-78.483.7161.8-53.6-172000105.9I83 Q87I83-I85 HydrophobicContact CG2-CD1 4.14Å; I83-I85 HydrophobicContact CG2-CG1 3.5Å; I83-I85 VanDerWaalsContact CG2-CG1 3.5Å; I83-I85 PolarHBondContact O-N 3.06Å; I85-Q87 PolarHBondContact O-N 3.3Å; I85-Q87 VanDerWaalsContact O-N 3.13Å
86S42.4Very low42.5Very low94 Ų94140.2 Ų140.266%0.65775%0.746SS**  trans-59.5118.2171.4-75.10000109.6V84 H88V84-S86 WeakPolarHBondContact CG1-OG 3.24Å; V84-S86 PolarHBondContact O-N 3.35Å; V84-S86 VanDerWaalsContact O-N 3.08Å; S86-H88 PolarHBondContact O-N 3.03Å; S86-H88 VanDerWaalsContact O-N 3.15Å
87Q37Very low41.8Very low194 Ų194138.3 Ų138.391%0.90774%0.744SS**  trans-43.7108.5167.8-60.3163.319.400110.8I85I85-Q87 PolarHBondContact O-N 3.3Å; I85-Q87 VanDerWaalsContact O-N 3.13Å
88H35.9Very low41.2Very low154 Ų154139.6 Ų139.671%0.71375%0.75SS**  trans-144.461.8162.1-163.5-79.2000110.8S86S86-H88 PolarHBondContact O-N 3.03Å; S86-H88 VanDerWaalsContact O-N 3.15Å
89L38.6Very low41.6Very low150 Ų150137.5 Ų137.579%0.78575%0.745SS**  trans-125.655.4161.1-82.694.7000109.8F92L89-F92 HydrophobicContact CD2-CE2 4.13Å; L89-F92 HydrophobicContact CD2-CZ 4.48Å
90S36.3Very low41.6Very low84 Ų84141.6 Ų141.659%0.58775%0.754SS**  trans-91.394.615853.70000107.3
91N34Very low41.5Very low152 Ų152142.4 Ų142.481%0.81376%0.763SS**  trans171.972.7152.8-86.2-5.4000109.7
92F43.7Very low41.4Very low179 Ų179139.4 Ų139.479%0.78576%0.763SS**  trans-107.9110.9154.1-72.4-70.1000108.2L89 S94L89-F92 HydrophobicContact CD2-CE2 4.13Å; L89-F92 HydrophobicContact CD2-CZ 4.48Å; F92-S94 PolarHBondContact O-N 3.42Å
93Q39.2Very low41.6Very low183 Ų183140.5 Ų140.586%0.85577%0.769SS**  trans-66.5115.5-179.1-148.4135.3-11.500108.3I95Q93-I95 PolarHBondContact O-N 3.29Å
94S38Very low41.9Very low114 Ų114140.4 Ų140.480%0.79777%0.77SS**  trans-51.8108.3169.8-174.60000109.6F92 G96F92-S94 PolarHBondContact O-N 3.42Å; S94-G96 VanDerWaalsContact C-N 3.26Å; S94-G96 PolarHBondContact O-N 2.98Å; S94-G96 VanDerWaalsContact O-N 3.1Å
95I41Very low42.6Very low159 Ų159141 Ų14182%0.81577%0.77SS**  trans-81.384.4167.6-64.3175000106.2Q93 S97Q93-I95 PolarHBondContact O-N 3.29Å; I95-S97 PolarHBondContact O-N 3.33Å
96G37.2Very low43.2Very low56 Ų56141.3 Ų141.358%0.57777%0.773SS**  trans-65117.2164.300000108.9S94 D98S94-G96 VanDerWaalsContact C-N 3.26Å; S94-G96 PolarHBondContact O-N 2.98Å; S94-G96 VanDerWaalsContact O-N 3.1Å; G96-D98 PolarHBondContact O-N 3.27Å
97S44.4Very low43.4Very low96 Ų96143.4 Ų143.467%0.67178%0.777SS**  trans-82.1101.3170.5-59.30000108.2I95 N99I95-S97 PolarHBondContact O-N 3.33Å; S97-N99 PolarHBondContact O-N 3Å; S97-N99 VanDerWaalsContact O-N 3.14Å
98D39.3Very low44.2Very low161 Ų161141.7 Ų141.786%0.86177%0.774SS**  trans-73.298.4169-72.6-31.8000109G96G96-D98 PolarHBondContact O-N 3.27Å
99N54.1Low44.6Very low145 Ų145141.8 Ų141.878%0.77578%0.779SS**PPolyproline II helixtrans-89135.1170.3-84.7-36.8000110.8S97S97-N99 PolarHBondContact O-N 3Å; S97-N99 VanDerWaalsContact O-N 3.14Å
100Y50.2Low44.9Very low226 Ų226142.3 Ų142.389%0.88678%0.778SS**PPolyproline II helixtrans-46.6131.6179.2-75.5-95000114.3G102Y100-G102 PolarHBondContact O-N 3.24Å
101N42.2Very low45.5Very low173 Ų173145.7 Ų145.793%0.92579%0.789SS**PPolyproline II helixtrans-67.6122.4167.9-68.6-56.7000110.4
102G45.9Very low46.2Very low71 Ų71144.1 Ų144.173%0.73279%0.79SS**  trans-145.5120.2167.500000109.3Y100Y100-G102 PolarHBondContact O-N 3.24Å
103D48.2Very low46.5Very low150 Ų150142.4 Ų142.480%0.80279%0.789SS**  trans-32.4131.3171.8-90.9-46.1000114.3
104D53Low47.2Very low141 Ų141138.7 Ų138.775%0.75478%0.781SS**  172.6119.9101.8-102.1-41000113.2
105N52.8Low47.5Very low133 Ų133139.4 Ų139.471%0.71178%0.78SS**  trans-5.6113.6152.5-54.2-73.5000118.6
106N53.5Low47.7Very low153 Ų153138.1 Ų138.182%0.81878%0.775SS**  -170.9141.6118.3-111.3-44.5000114.3
107N47Very low48.4Very low138 Ų138141.5 Ų141.574%0.73878%0.779SS**  trans-57.4134.1179.8-49.6-71.7000112.3
108N53.2Low49.2Very low158 Ų158144.6 Ų144.685%0.84578%0.783SS**  -173.5115.2129.9-92.2-21.1000111.5
109D45.5Very low50.7Low155 Ų155139.2 Ų139.283%0.82976%0.756SS**  trans63.7129137.2-136.9-3.8000121.3N111D109-N111 PolarHBondContact O-N 2.89Å
110H43.3Very low52.1Low162 Ų162136.1 Ų136.175%0.7574%0.739SS**  trans-70.5115.8-179.2-74.4-56.8000111.1
111N50.7Low53.8Low154 Ų154125.7 Ų125.782%0.82470%0.699SS**  trans-16090.4141.1-87.2-40.8000108.3D109 D113D109-N111 PolarHBondContact O-N 2.89Å; N111-D113 PolarHBondContact O-N 3.01Å
112S47Very low55.9Low120 Ų120120.2 Ų120.284%0.83967%0.67SS**  trans-71.678166.6-44.80000108
113D50.8Low57.9Low143 Ų143121.6 Ų121.677%0.76566%0.66SS**  trans-55.7128.6165.8-111.8-23.9000107.5N111 V115N111-D113 PolarHBondContact O-N 3.01Å; D113-V115 PolarHBondContact O-N 2.79Å
114P54.6Low59.7Low104 Ų104115.2 Ų115.268%0.67563%0.626SS**  trans-61.2116174.126.6-30.3000105.6N116P114-N116 VanDerWaalsContact C-N 3.27Å; P114-N116 PolarHBondContact O-N 3.41Å
115V43Very low61.1Low130 Ų130111.1 Ų111.179%0.78860%0.604SS**  trans-24.790.8171.4-91.40000110.5D113 L117D113-V115 PolarHBondContact O-N 2.79Å; V115-L117 PolarHBondContact O-N 2.99Å
116N45.6Very low62.6Low132 Ų132108.8 Ų108.871%0.70659%0.591SS**  trans-78.379.5175.4-156.5-28.5000103.2P114 Q118P114-N116 VanDerWaalsContact C-N 3.27Å; P114-N116 PolarHBondContact O-N 3.41Å; N116-Q118 PolarHBondContact O-N 3.4Å
117L51.8Low64.2Low127 Ų127106.7 Ų106.767%0.66557%0.572SS**  trans-66.271.1162.8-76.1161.5000105.2V115 V119V115-L117 PolarHBondContact O-N 2.99Å; L117-V119 HydrophobicContact CB-CG2 4.42Å; L117-V119 PolarHBondContact O-N 3.43Å
118Q60.7Low65.7Low161 Ų161101 Ų10175%0.75254%0.541SS*.  trans-72.763.3170.2-164.11584.500106.6N116 D120N116-Q118 PolarHBondContact O-N 3.4Å; Q118-D120 PolarHBondContact O-N 3.39Å; Q118-D120 VanDerWaalsContact O-N 3.11Å
119V72.3Confident66.9Low48 Ų4899.5 Ų99.529%0.29153%0.532SS..  trans-65.1109.7165.2175.10000104.2L117 V121 L124 L205L117-V119 HydrophobicContact CB-CG2 4.42Å; L117-V119 PolarHBondContact O-N 3.43Å; V119-V121 VanDerWaalsContact C-N 3.26Å; V119-V121 PolarHBondContact O-N 3.36Å; V119-L124 HydrophobicContact CG1-CD2 3.65Å; V119-L205 HydrophobicContact CB-CD2 3.78Å; V119-L205 HydrophobicContact CG1-CD2 4.35Å
120D83.6Confident68.4Low80 Ų8096.6 Ų96.643%0.42852%0.524SS..  trans-68.191.3172.6-171.3-30.5000108.3Q118 D122 N123 L124Q118-D120 PolarHBondContact O-N 3.39Å; Q118-D120 VanDerWaalsContact O-N 3.11Å; D120-D122 VanDerWaalsContact C-N 3.27Å; D120-D122 PolarHBondContact O-N 3.1Å; D120-D122 PolarHBondContact OD1-N 2.97Å; D120-N123 HydrophobicContact CB-CB 4.13Å; D120-N123 VanDerWaalsContact CG-ND2 3.32Å; D120-N123 PolarHBondContact O-N 2.74Å; D120-N123 PolarHBondContact OD1-N 2.76Å; D120-N123 PolarHBondContact OD2-ND2 3.47Å; D120-L124 VanDerWaalsContact O-CB 3.25Å; D120-L124 WeakPolarHBondContact O-CB 3.2Å; D120-L124 PolarHBondContact O-N 2.81Å
121V84.7Confident69.6Low7 Ų796 Ų964%0.04252%0.515CS..Hα-helixtrans-56.9-43.9-176.4177.10000110.6V119 L124 L125 I201 L205 K209V119-V121 VanDerWaalsContact C-N 3.26Å; V119-V121 PolarHBondContact O-N 3.36Å; V121-L124 PolarHBondContact O-N 2.89Å; V121-L125 HydrophobicContact CG1-CD1 3.84Å; V121-L125 HydrophobicContact CG1-CG 4.3Å; V121-L125 WeakPolarHBondContact O-CB 3.49Å; V121-L125 VanDerWaalsContact O-CG 3.29Å; V121-L125 WeakPolarHBondContact O-CG 3.26Å; V121-L125 PolarHBondContact O-N 3.37Å; V121-I201 HydrophobicContact CG1-CD1 4.2Å; V121-I201 HydrophobicContact CG1-CG2 4.11Å; V121-I201 HydrophobicContact CG2-CG2 3.97Å; V121-L205 HydrophobicContact CG2-CD2 3.54Å; V121-L205 HydrophobicContact CG2-CG 3.65Å; V121-K209 HydrophobicContact CB-CG 4.35Å; V121-K209 HydrophobicContact CG2-CG 4.12Å
122D85.9Confident69.7Low58 Ų5894 Ų9431%0.3151%0.509SS..Hα-helixtrans-66.1-47.3-176.8-67.8-58.5000110.7D120 L124 L125 N126 K213D120-D122 VanDerWaalsContact C-N 3.27Å; D120-D122 PolarHBondContact O-N 3.1Å; D120-D122 PolarHBondContact OD1-N 2.97Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 2.94Å; D122-L125 PolarHBondContact O-N 3.11Å; D122-N126 WeakPolarHBondContact O-CB 3.34Å; D122-N126 PolarHBondContact O-N 3.08Å; D122-N126 PolarHBondContact O-ND2 3.25Å; D122-K213 IonicContact OD1-NZ 3.09Å; D122-K213 PolarHBondContact OD1-NZ 3.05Å
123N88.3Confident69.9Low100 Ų10094.1 Ų94.154%0.53550%0.496SS..Hα-helixtrans-65.6-35.9177-82-37.7000112.7D120 R127D120-N123 HydrophobicContact CB-CB 4.13Å; D120-N123 VanDerWaalsContact CG-ND2 3.32Å; D120-N123 PolarHBondContact O-N 2.74Å; D120-N123 PolarHBondContact OD1-N 2.76Å; D120-N123 PolarHBondContact OD2-ND2 3.47Å; N123-R127 VanDerWaalsContact O-CB 3.26Å; N123-R127 WeakPolarHBondContact O-CB 3.43Å; N123-R127 PolarHBondContact O-N 3.05Å
124L85.9Confident70Confident15 Ų1595.4 Ų95.48%0.07950%0.495CS..Hα-helixtrans-65-47.9176.318053.5000111.3V119 D120 V121 D122 R127 H128 Q200 I201V119-L124 HydrophobicContact CG1-CD2 3.65Å; D120-L124 VanDerWaalsContact O-CB 3.25Å; D120-L124 WeakPolarHBondContact O-CB 3.2Å; D120-L124 PolarHBondContact O-N 2.81Å; V121-L124 PolarHBondContact O-N 2.89Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 2.94Å; L124-R127 WeakPolarHBondContact O-CB 3.47Å; L124-R127 PolarHBondContact O-N 3.25Å; L124-H128 PolarHBondContact O-CD2 3.11Å; L124-H128 PolarHBondContact O-N 3.14Å; L124-Q200 HydrophobicContact CD2-CB 3.99Å; L124-I201 HydrophobicContact CD2-CD1 4.03Å; L124-I201 HydrophobicContact CD2-CG1 3.33Å; L124-I201 HydrophobicContact CG-CD1 4.09Å; L124-I201 HydrophobicContact CG-CG1 3.95Å
125L83.3Confident69.8Low56 Ų5696 Ų9629%0.29349%0.489SS..Hα-helixtrans-61.1-46.6175.1-73.1173.7000111.3V121 D122 R127 H128 L129 W197 I201V121-L125 HydrophobicContact CG1-CD1 3.84Å; V121-L125 HydrophobicContact CG1-CG 4.3Å; V121-L125 WeakPolarHBondContact O-CB 3.49Å; V121-L125 VanDerWaalsContact O-CG 3.29Å; V121-L125 WeakPolarHBondContact O-CG 3.26Å; V121-L125 PolarHBondContact O-N 3.37Å; D122-L125 PolarHBondContact O-N 3.11Å; L125-R127 VanDerWaalsContact C-N 3.28Å; L125-R127 PolarHBondContact O-N 3.44Å; L125-H128 CarbonylContact O-C 3.55Å; L125-H128 WeakPolarHBondContact O-CA 3.46Å; L125-H128 WeakPolarHBondContact O-CB 3.38Å; L125-H128 PolarHBondContact O-N 2.89Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.1Å; L125-W197 HydrophobicContact CD2-CB 4.39Å; L125-W197 HydrophobicContact CD2-CE3 4.39Å; L125-I201 HydrophobicContact CD1-CD1 4.5Å; L125-I201 HydrophobicContact CD2-CD1 3.52Å; L125-I201 HydrophobicContact CG-CD1 3.69Å
126N84.7Confident70Confident84 Ų8493 Ų9345%0.44947%0.472SS..Hα-helixtrans-60.6-39.2177.9-72-20.8000111.9D122 H128 L129 S130D122-N126 WeakPolarHBondContact O-CB 3.34Å; D122-N126 PolarHBondContact O-N 3.08Å; D122-N126 PolarHBondContact O-ND2 3.25Å; N126-H128 VanDerWaalsContact C-N 3.32Å; N126-L129 PolarHBondContact O-N 3.02Å; N126-S130 VanDerWaalsContact O-CB 3.24Å; N126-S130 WeakPolarHBondContact O-CB 3.41Å; N126-S130 PolarHBondContact O-N 3.39Å; N126-S130 PolarHBondContact O-OG 2.96Å
127R85.8Confident69.9Low108 Ų10897 Ų9741%0.40848%0.477SS..Hα-helixtrans-63.8-38.4173.5-175-172.275.1-172.99.7111.7N123 L124 L125 R131N123-R127 VanDerWaalsContact O-CB 3.26Å; N123-R127 WeakPolarHBondContact O-CB 3.43Å; N123-R127 PolarHBondContact O-N 3.05Å; L124-R127 WeakPolarHBondContact O-CB 3.47Å; L124-R127 PolarHBondContact O-N 3.25Å; L125-R127 VanDerWaalsContact C-N 3.28Å; L125-R127 PolarHBondContact O-N 3.44Å; R127-R131 WeakPolarHBondContact O-CB 3.29Å; R127-R131 WeakPolarHBondContact O-CG 3.25Å; R127-R131 PolarHBondContact O-N 3.44Å; R127-R131 VanDerWaalsContact O-N 3.08Å
128H79.6Confident69.5Low18 Ų1893.1 Ų93.18%0.08347%0.469CS..Hα-helixtrans-69.8-41.9175.4-81.6-68.4000112.4L124 L125 N126 R131 T196 W197 Q200L124-H128 PolarHBondContact O-CD2 3.11Å; L124-H128 PolarHBondContact O-N 3.14Å; L125-H128 CarbonylContact O-C 3.55Å; L125-H128 WeakPolarHBondContact O-CA 3.46Å; L125-H128 WeakPolarHBondContact O-CB 3.38Å; L125-H128 PolarHBondContact O-N 2.89Å; N126-H128 VanDerWaalsContact C-N 3.32Å; H128-R131 PolarHBondContact O-N 3.41Å; H128-T196 PolarHBondContact CE1-OG1 3.1Å; H128-T196 PolarHBondContact ND1-OG1 2.78Å; H128-W197 HydrophobicContact CB-CB 4.11Å; H128-Q200 PolarHBondContact CE1-NE2 2.99Å; H128-Q200 PolarHBondContact NE2-NE2 3.13Å
129L78.3Confident68.8Low127 Ų12790.2 Ų90.267%0.66547%0.472SS*.Hα-helixtrans-66.2-37.3175.9-69.7168.3000112.3L125 N126 R131L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.1Å; N126-L129 PolarHBondContact O-N 3.02Å; L129-R131 VanDerWaalsContact C-N 3.32Å
130S76.6Confident67.4Low95 Ų9595.6 Ų95.666%0.66449%0.492SS*.Hα-helixtrans-76-21.8177.8-55.40000112.8N126 T132N126-S130 VanDerWaalsContact O-CB 3.24Å; N126-S130 WeakPolarHBondContact O-CB 3.41Å; N126-S130 PolarHBondContact O-N 3.39Å; N126-S130 PolarHBondContact O-OG 2.96Å; S130-T132 PolarHBondContact O-N 3.37Å
131R67.6Low65.5Low149 Ų14997.4 Ų97.456%0.56251%0.506SS*.SBendtrans-72.889.7167.8-78.4169.9-176-107.3-0106.3R127 H128 L129 E133R127-R131 WeakPolarHBondContact O-CB 3.29Å; R127-R131 WeakPolarHBondContact O-CG 3.25Å; R127-R131 PolarHBondContact O-N 3.44Å; R127-R131 VanDerWaalsContact O-N 3.08Å; H128-R131 PolarHBondContact O-N 3.41Å; L129-R131 VanDerWaalsContact C-N 3.32Å; R131-E133 PolarHBondContact O-N 3.39Å
132T52.8Low63.6Low112 Ų112100.8 Ų100.869%0.68754%0.535SS*.  trans-61.677.3161.445.90000108.8S130 F134S130-T132 PolarHBondContact O-N 3.37Å; T132-F134 HydrophobicContact CG2-CD2 4.21Å
133E51.7Low61.8Low122 Ų122102 Ų10257%0.5755%0.548SS*.  trans-89.618.8159.366.5-174.8166.300110.9R131 E135R131-E133 PolarHBondContact O-N 3.39Å; E133-E135 PolarHBondContact O-N 3.3Å; E133-E135 VanDerWaalsContact O-O 3.09Å
134F52.5Low60.2Low170 Ų170105.1 Ų105.175%0.74656%0.564SS**  trans-63.811.4159.1-59.1-71.2000113.2T132 P136T132-F134 HydrophobicContact CG2-CD2 4.21Å; F134-P136 WeakPolarHBondContact O-CD 3.1Å
135E51.1Low58.5Low117 Ų117111.9 Ų111.955%0.54760%0.6SS.*SBendtrans-65.6126.2159.3-130.7-126.9164.600106.7E133 R137E133-E135 PolarHBondContact O-N 3.3Å; E133-E135 VanDerWaalsContact O-O 3.09Å; E135-R137 HydrophobicContact CB-CG 4.34Å; E135-R137 PolarHBondContact O-N 2.95Å; E135-R137 WeakPolarHBondContact OE2-CG 3.38Å; E135-R137 IonicContact OE2-NE 2.78Å; E135-R137 PolarHBondContact OE2-NE 3.06Å; E135-R137 VanDerWaalsContact OE2-NE 3.09Å
136P46.7Very low57Low66 Ų66117.3 Ų117.343%0.42962%0.617SS.*  trans-65.272.3-178.6-18.831.2000112.2F134 G138 F140F134-P136 WeakPolarHBondContact O-CD 3.1Å; P136-G138 PolarHBondContact O-N 3.17Å; P136-G138 VanDerWaalsContact O-N 3.07Å; P136-F140 HydrophobicContact CB-CB 3.77Å
137R43.9Very low55.5Low216 Ų216120.1 Ų120.182%0.81564%0.638SS**  trans-85.937-179.4-78.8-171.1162.1-150.5-9.4112.6E135E135-R137 HydrophobicContact CB-CG 4.34Å; E135-R137 PolarHBondContact O-N 2.95Å; E135-R137 WeakPolarHBondContact OE2-CG 3.38Å; E135-R137 IonicContact OE2-NE 2.78Å; E135-R137 PolarHBondContact OE2-NE 3.06Å; E135-R137 VanDerWaalsContact OE2-NE 3.09Å
138G43.2Very low54.1Low47 Ų47119.7 Ų119.749%0.48564%0.644SS.*SBendtrans-146.9112.6165.400000108.5P136 F140P136-G138 PolarHBondContact O-N 3.17Å; P136-G138 VanDerWaalsContact O-N 3.07Å; G138-F140 WeakPolarHBondContact O-CD2 3.44Å; G138-F140 PolarHBondContact O-N 3.22Å
139A45.5Very low53Low100 Ų100125.6 Ų125.683%0.82668%0.681SS**SBendtrans49.2-10.1173.500000120.3T141A139-T141 PolarHBondContact O-N 2.96Å
140F43.2Very low52.2Low161 Ų161124.4 Ų124.471%0.70668%0.675SS**  trans-101.448.4179.2-57.1-74.1000111.3P136 G138 A142P136-F140 HydrophobicContact CB-CB 3.77Å; G138-F140 WeakPolarHBondContact O-CD2 3.44Å; G138-F140 PolarHBondContact O-N 3.22Å; F140-A142 VanDerWaalsContact C-N 3.27Å
141T44.8Very low51.4Low118 Ų118125.4 Ų125.472%0.72467%0.672SS**  trans-898.2171.456.70000112.8A139 S143A139-T141 PolarHBondContact O-N 2.96Å; T141-S143 PolarHBondContact O-N 3.23Å
142A43.7Very low51Low78 Ų78124.3 Ų124.365%0.64568%0.678SS**  trans-78.855.4160.300000110.3F140 N144F140-A142 VanDerWaalsContact C-N 3.27Å; A142-N144 VanDerWaalsContact C-N 3.33Å; A142-N144 PolarHBondContact O-N 3.37Å
143S49.7Very low51.6Low84 Ų84121.9 Ų121.959%0.58767%0.665SS**THydrogen-bonded Turntrans-63.393.8168.1-61.10000108.4T141T141-S143 PolarHBondContact O-N 3.23Å
144N53.3Low52.3Low165 Ų165118.5 Ų118.588%0.88266%0.655SS**THydrogen-bonded Turntrans-161.46.3159.9-80.9-25.6000112.2A142 Y146A142-N144 VanDerWaalsContact C-N 3.33Å; A142-N144 PolarHBondContact O-N 3.37Å; N144-Y146 PolarHBondContact O-N 2.87Å
145L50.9Low52.9Low156 Ų156113.3 Ų113.382%0.81763%0.633SS**SBendtrans-97105.5-173.8-75.5158.5000110.3
146Y51.3Low53.8Low170 Ų170112.2 Ų112.267%0.66763%0.63SS**  trans63.695.2160.8-101.5-104.7000117.2N144 D148N144-Y146 PolarHBondContact O-N 2.87Å; Y146-D148 VanDerWaalsContact C-N 3.33Å; Y146-D148 HydrophobicContact CD1-CB 3.63Å; Y146-D148 HydrophobicContact CE1-CB 3.66Å; Y146-D148 WeakPolarHBondContact CE1-OD2 3.37Å; Y146-D148 PolarHBondContact OH-OD2 3.4Å
147T54.4Low55.1Low143 Ų143114.5 Ų114.588%0.87764%0.635SS**  trans-95.816.9158.657.70000112T149T147-T149 PolarHBondContact O-N 2.89Å
148D55.7Low56.5Low99 Ų99109.9 Ų109.953%0.52963%0.626SS.*SBendtrans-68.5123.6170.7-67.6-16.4000106.9Y146 I150Y146-D148 VanDerWaalsContact C-N 3.33Å; Y146-D148 HydrophobicContact CD1-CB 3.63Å; Y146-D148 HydrophobicContact CE1-CB 3.66Å; Y146-D148 WeakPolarHBondContact CE1-OD2 3.37Å; Y146-D148 PolarHBondContact OH-OD2 3.4Å; D148-I150 PolarHBondContact O-N 3.35Å
149T56.6Low58.2Low143 Ų143115.4 Ų115.488%0.87763%0.632SS**  trans-60.281.3173.352.50000108.3T147 D151T147-T149 PolarHBondContact O-N 2.89Å; T149-D151 PolarHBondContact O-N 3.09Å
150I61.7Low59.7Low102 Ų102116.2 Ų116.252%0.52362%0.623SS.*  trans-63.9120.6165.9-76.8164.1000105.2D148 D152D148-I150 PolarHBondContact O-N 3.35Å; I150-D152 PolarHBondContact O-N 2.98Å
151D59.4Low61Low115 Ų115114 Ų11462%0.61561%0.614SS**  trans-48.6108.5177.6-164.45.3000109.3T149 S153 S154T149-D151 PolarHBondContact O-N 3.09Å; D151-S153 PolarHBondContact O-N 3.19Å; D151-S154 PolarHBondContact O-N 2.8Å; D151-S154 PolarHBondContact O-OG 2.66Å
152D59.9Low61.8Low126 Ų126115.9 Ų115.967%0.67462%0.62SS**THydrogen-bonded Turntrans-60.3-21.2-173-145.89.8000111I150 S154 H155 I156I150-D152 PolarHBondContact O-N 2.98Å; D152-S154 VanDerWaalsContact C-N 3.26Å; D152-S154 PolarHBondContact O-N 2.9Å; D152-H155 PolarHBondContact O-N 2.88Å; D152-I156 PolarHBondContact O-N 3.25Å
153S64.5Low62.8Low61 Ų61116.5 Ų116.543%0.42762%0.616SS.*Hα-helixtrans-56.4-33.5172.5-65.40000113.6D151 H155 I156 E157D151-S153 PolarHBondContact O-N 3.19Å; S153-H155 VanDerWaalsContact C-N 3.33Å; S153-H155 PolarHBondContact O-N 3.06Å; S153-I156 PolarHBondContact O-N 3.36Å; S153-E157 WeakPolarHBondContact O-CG 3.37Å; S153-E157 PolarHBondContact O-N 3.1Å
154S66.5Low63.4Low51 Ų51116.6 Ų116.636%0.35761%0.614SS.*Hα-helixtrans-67.7-34.3-177.374.60000112.6D151 D152 L158D151-S154 PolarHBondContact O-N 2.8Å; D151-S154 PolarHBondContact O-OG 2.66Å; D152-S154 VanDerWaalsContact C-N 3.26Å; D152-S154 PolarHBondContact O-N 2.9Å; S154-L158 WeakPolarHBondContact O-CG 3.25Å; S154-L158 PolarHBondContact O-N 2.76Å; S154-L158 VanDerWaalsContact O-N 3.13Å
155H65.1Low63.7Low62 Ų62112.4 Ų112.429%0.28760%0.603SS.*Hα-helixtrans-75.7-39.7179.6-67.689.4000111.3D152 S153 E157 L158 W159D152-H155 PolarHBondContact O-N 2.88Å; S153-H155 VanDerWaalsContact C-N 3.33Å; S153-H155 PolarHBondContact O-N 3.06Å; H155-E157 VanDerWaalsContact C-N 3.27Å; H155-E157 PolarHBondContact O-N 3.37Å; H155-L158 PolarHBondContact O-N 3.37Å; H155-W159 PolarHBondContact O-N 3.27Å; H155-W159 VanDerWaalsContact O-N 3.17Å
156I69.8Low64.2Low94 Ų94110.5 Ų110.548%0.48260%0.602SS.*Hα-helixtrans-58.5-42.8172-104.5165.6000110.5D152 S153 L158 W159 N160D152-I156 PolarHBondContact O-N 3.25Å; S153-I156 PolarHBondContact O-N 3.36Å; I156-L158 PolarHBondContact O-N 3.3Å; I156-W159 PolarHBondContact O-N 3.07Å; I156-N160 WeakPolarHBondContact O-CB 3.06Å; I156-N160 PolarHBondContact O-N 3.2Å; I156-N160 PolarHBondContact O-ND2 2.97Å
157E73.8Confident64.6Low113 Ų113107.4 Ų107.453%0.52860%0.602SS.*Hα-helixtrans-60.6-46175.1-77.8179.9-173.700111S153 H155 W159 N160 Q161S153-E157 WeakPolarHBondContact O-CG 3.37Å; S153-E157 PolarHBondContact O-N 3.1Å; H155-E157 VanDerWaalsContact C-N 3.27Å; H155-E157 PolarHBondContact O-N 3.37Å; E157-W159 PolarHBondContact O-N 3.19Å; E157-N160 PolarHBondContact O-N 3.13Å; E157-Q161 WeakPolarHBondContact O-CB 3.35Å; E157-Q161 WeakPolarHBondContact O-CG 3.38Å; E157-Q161 PolarHBondContact O-N 3.5Å
158L74.2Confident65Low119 Ų119104.1 Ų104.162%0.62358%0.584SS**Hα-helixtrans-58.9-41.9180-71.2172000114S154 H155 I156S154-L158 WeakPolarHBondContact O-CG 3.25Å; S154-L158 PolarHBondContact O-N 2.76Å; S154-L158 VanDerWaalsContact O-N 3.13Å; H155-L158 PolarHBondContact O-N 3.37Å; I156-L158 PolarHBondContact O-N 3.3Å
159W78.7Confident65.6Low164 Ų164106.8 Ų106.862%0.62159%0.594SS**Hα-helixtrans-80.4-26.9179.6-64.4111.1000113.4I40 H155 I156 E157I40-W159 HydrophobicContact CG2-CZ2 4.35Å; H155-W159 PolarHBondContact O-N 3.27Å; H155-W159 VanDerWaalsContact O-N 3.17Å; I156-W159 PolarHBondContact O-N 3.07Å; E157-W159 PolarHBondContact O-N 3.19Å
160N76Confident66.7Low117 Ų117106.8 Ų106.863%0.62659%0.587SS**Hα-helixtrans-90.9-14178-66.4-24.4000113.4I156 E157 N162I156-N160 WeakPolarHBondContact O-CB 3.06Å; I156-N160 PolarHBondContact O-N 3.2Å; I156-N160 PolarHBondContact O-ND2 2.97Å; E157-N160 PolarHBondContact O-N 3.13Å; N160-N162 PolarHBondContact O-N 2.74Å
161Q70.5Confident67.8Low113 Ų113108 Ų10853%0.52860%0.599SS.*SBendtrans-64.2122.4171-74.2-32.8-42.600108.2E157 T163E157-Q161 WeakPolarHBondContact O-CB 3.35Å; E157-Q161 WeakPolarHBondContact O-CG 3.38Å; E157-Q161 PolarHBondContact O-N 3.5Å; Q161-T163 VanDerWaalsContact C-N 3.28Å; Q161-T163 PolarHBondContact O-N 3.47Å
162N62.6Low69.1Low158 Ų158107 Ų10785%0.84559%0.593SS**  trans-60.197.1162-94.530.7000107.5N160N160-N162 PolarHBondContact O-N 2.74Å
163T63.8Low70.6Confident92 Ų92104.1 Ų104.156%0.56458%0.58SS**  trans-53.3127.817352.30000108.2Q161 A165Q161-T163 VanDerWaalsContact C-N 3.28Å; Q161-T163 PolarHBondContact O-N 3.47Å; T163-A165 PolarHBondContact O-N 3.17Å
164P62.1Low71.9Confident85 Ų85105.8 Ų105.855%0.55259%0.589SS**  trans-58.3134.6-177.622.1-31.4000108.8S166 T167P164-S166 PolarHBondContact O-N 3.37Å; P164-T167 PolarHBondContact O-N 2.72Å; P164-T167 VanDerWaalsContact O-N 3.12Å; P164-T167 PolarHBondContact O-OG1 3Å; P164-T167 VanDerWaalsContact O-OG1 3.09Å
165A61.2Low73.2Confident77 Ų77108.8 Ų108.864%0.63660%0.601SS**THydrogen-bonded Turntrans-53.3-16.3-17500000114.3T163T163-A165 PolarHBondContact O-N 3.17Å
166S61.1Low74.5Confident116 Ų116110 Ų11081%0.81161%0.607SS**THydrogen-bonded Turntrans-75.7-19.4-178.8-52.70000115.3P164P164-S166 PolarHBondContact O-N 3.37Å
167T60.1Low75.7Confident106 Ų106107 Ų10765%0.6560%0.596SS**SBendtrans-92.3-10.9-178.240.50000114.9P164P164-T167 PolarHBondContact O-N 2.72Å; P164-T167 VanDerWaalsContact O-N 3.12Å; P164-T167 PolarHBondContact O-OG1 3Å; P164-T167 VanDerWaalsContact O-OG1 3.09Å
168S60.9Low76.7Confident73 Ų73105.8 Ų105.851%0.5159%0.593SS.*  trans-114.43-165.1-48.60000114.8I170S168-I170 PolarHBondContact O-N 3.18Å; S168-I170 VanDerWaalsContact O-N 3.13Å
169Q69.9Low77.6Confident156 Ų156105.8 Ų105.873%0.72959%0.588SS**  trans-90.269.2-177.8-62.7-67.4-23.800111T171Q169-T171 PolarHBondContact O-N 2.78Å
170I78.5Confident78.4Confident143 Ų143102.1 Ų102.173%0.73358%0.58SS**  trans-71.7111.7167-60.9171.8000107S168 I172S168-I170 PolarHBondContact O-N 3.18Å; S168-I170 VanDerWaalsContact O-N 3.13Å; I170-I172 HydrophobicContact CG2-CG1 4.14Å; I170-I172 PolarHBondContact O-N 2.83Å
171T84.3Confident79.3Confident127 Ų127102.6 Ų102.678%0.77958%0.576SS**  trans-77.9106.6176.1-56.40000108.7Q169Q169-T171 PolarHBondContact O-N 2.78Å
172I88Confident80.4Confident94 Ų94102.2 Ų102.248%0.48258%0.576SS.*  trans-92.5119.3177.1-58.3174.9000108.5I170 E176 A177 I180I170-I172 HydrophobicContact CG2-CG1 4.14Å; I170-I172 PolarHBondContact O-N 2.83Å; I172-E176 HydrophobicContact CG2-CB 3.83Å; I172-A177 HydrophobicContact CG2-CB 3.9Å; I172-I180 HydrophobicContact CD1-CD1 4.43Å; I172-I180 HydrophobicContact CG2-CD1 4.25Å
173T91.8Very high81.9Confident65 Ų65102.4 Ų102.440%0.39957%0.566SS.*  trans-70.5155.3172.9620000111D175 E176 A177T173-D175 PolarHBondContact O-N 3.29Å; T173-E176 WeakPolarHBondContact CB-OE2 3.43Å; T173-E176 PolarHBondContact N-OE2 2.95Å; T173-E176 WeakPolarHBondContact O-CB 3.18Å; T173-E176 PolarHBondContact O-N 3.42Å; T173-E176 WeakPolarHBondContact OG1-CB 3.33Å; T173-E176 WeakPolarHBondContact OG1-CG 3.36Å; T173-E176 PolarHBondContact OG1-N 3.47Å; T173-E176 PolarHBondContact OG1-OE2 3.05Å; T173-A177 PolarHBondContact O-N 3.1Å
174P91.4Very high83.4Confident97 Ų97103.5 Ų103.563%0.6357%0.566SS**Hα-helixtrans-56.6-38179.520.9-33000112.9E176 A177 D178P174-E176 VanDerWaalsContact C-N 3.35Å; P174-E176 PolarHBondContact O-N 3.46Å; P174-A177 PolarHBondContact O-N 3.36Å; P174-D178 PolarHBondContact O-N 2.69Å
175D93.2Very high84.8Confident113 Ų113103 Ų10360%0.60457%0.565SS**Hα-helixtrans-65.4-36.4176.6-67.9-7.7000112.4T173 K179T173-D175 PolarHBondContact O-N 3.29Å; D175-K179 VanDerWaalsContact O-CG 3.28Å; D175-K179 WeakPolarHBondContact O-CG 3.29Å; D175-K179 PolarHBondContact O-N 2.81Å; D175-K179 VanDerWaalsContact O-N 3.11Å
176E93.5Very high86.2Confident89 Ų89105 Ų10542%0.41656%0.564SS.*Hα-helixtrans-70-42174.2-73.2164.515200111.2I172 T173 P174 D178 K179 I180I172-E176 HydrophobicContact CG2-CB 3.83Å; T173-E176 WeakPolarHBondContact CB-OE2 3.43Å; T173-E176 PolarHBondContact N-OE2 2.95Å; T173-E176 WeakPolarHBondContact O-CB 3.18Å; T173-E176 PolarHBondContact O-N 3.42Å; T173-E176 WeakPolarHBondContact OG1-CB 3.33Å; T173-E176 WeakPolarHBondContact OG1-CG 3.36Å; T173-E176 PolarHBondContact OG1-N 3.47Å; T173-E176 PolarHBondContact OG1-OE2 3.05Å; P174-E176 VanDerWaalsContact C-N 3.35Å; P174-E176 PolarHBondContact O-N 3.46Å; E176-D178 VanDerWaalsContact C-N 3.3Å; E176-D178 PolarHBondContact O-N 3.13Å; E176-K179 PolarHBondContact O-N 3.33Å; E176-I180 VanDerWaalsContact O-CG1 3.24Å; E176-I180 WeakPolarHBondContact O-CG1 3.19Å; E176-I180 PolarHBondContact O-N 3.08Å
177A93.5Very high87.5Confident29 Ų29106 Ų10624%0.2455%0.554CS.*Hα-helixtrans-59.2-42.6175.300000111.3I172 T173 P174 I180 K181I172-A177 HydrophobicContact CG2-CB 3.9Å; T173-A177 PolarHBondContact O-N 3.1Å; P174-A177 PolarHBondContact O-N 3.36Å; A177-I180 PolarHBondContact O-N 2.97Å; A177-K181 VanDerWaalsContact O-CG 3.27Å; A177-K181 WeakPolarHBondContact O-CG 3.44Å; A177-K181 PolarHBondContact O-N 3.45Å
178D94.8Very high88.9Confident89 Ų89107.8 Ų107.848%0.47656%0.555SS.*Hα-helixtrans-70.1-35.8179.2-72.2-15.5000112.6P174 E176 K181 M182P174-D178 PolarHBondContact O-N 2.69Å; E176-D178 VanDerWaalsContact C-N 3.3Å; E176-D178 PolarHBondContact O-N 3.13Å; D178-K181 PolarHBondContact O-N 3.23Å; D178-K181 IonicContact OD1-NZ 2.95Å; D178-K181 PolarHBondContact OD1-NZ 3.13Å; D178-M182 WeakPolarHBondContact O-CB 3.35Å; D178-M182 PolarHBondContact O-N 2.92Å
179K94.6Very high90.1Very high118 Ų118109 Ų10951%0.51356%0.555SS.*Hα-helixtrans-61.5-46.8169.3-73.2167.7-172167.70111.4D175 E176 K181 M182 Y183D175-K179 VanDerWaalsContact O-CG 3.28Å; D175-K179 WeakPolarHBondContact O-CG 3.29Å; D175-K179 PolarHBondContact O-N 2.81Å; D175-K179 VanDerWaalsContact O-N 3.11Å; E176-K179 PolarHBondContact O-N 3.33Å; K179-K181 PolarHBondContact O-N 2.8Å; K179-M182 PolarHBondContact O-N 3.02Å; K179-Y183 HydrophobicContact CB-CE2 4.42Å; K179-Y183 WeakPolarHBondContact O-CD2 3.49Å; K179-Y183 PolarHBondContact O-N 3.1Å
180I93.8Very high90.9Very high87 Ų87105.1 Ų105.145%0.44654%0.544SS..Hα-helixtrans-59.4-48.3178.2-68.5162.6000109.8I172 E176 A177 M182 Y183 M184I172-I180 HydrophobicContact CD1-CD1 4.43Å; I172-I180 HydrophobicContact CG2-CD1 4.25Å; E176-I180 VanDerWaalsContact O-CG1 3.24Å; E176-I180 WeakPolarHBondContact O-CG1 3.19Å; E176-I180 PolarHBondContact O-N 3.08Å; A177-I180 PolarHBondContact O-N 2.97Å; I180-M182 VanDerWaalsContact C-N 3.33Å; I180-M182 PolarHBondContact O-N 3.28Å; I180-Y183 PolarHBondContact O-N 3.3Å; I180-M184 HydrophobicContact CG2-CG 4.08Å; I180-M184 WeakPolarHBondContact O-CB 3.23Å; I180-M184 WeakPolarHBondContact O-CG 3.39Å; I180-M184 PolarHBondContact O-N 3.31Å
181K94.9Very high91.1Very high127 Ų127104.3 Ų104.355%0.55254%0.54SS*.Hα-helixtrans-56.7-46.1175.8-71.3171.2-160157.30111.8A177 D178 K179 Y183 M184 S185A177-K181 VanDerWaalsContact O-CG 3.27Å; A177-K181 WeakPolarHBondContact O-CG 3.44Å; A177-K181 PolarHBondContact O-N 3.45Å; D178-K181 PolarHBondContact O-N 3.23Å; D178-K181 IonicContact OD1-NZ 2.95Å; D178-K181 PolarHBondContact OD1-NZ 3.13Å; K179-K181 PolarHBondContact O-N 2.8Å; K181-Y183 PolarHBondContact O-N 3.2Å; K181-M184 PolarHBondContact O-N 2.94Å; K181-S185 WeakPolarHBondContact O-CB 3.28Å; K181-S185 PolarHBondContact O-N 3.41Å; K181-S185 PolarHBondContact O-OG 3.36Å
182M94.8Very high91Very high105 Ų105103.2 Ų103.252%0.51754%0.537SS..Hα-helixtrans-63.2-39.1179.5-178.7-179.866.400112.6D178 K179 I180 S185 N186D178-M182 WeakPolarHBondContact O-CB 3.35Å; D178-M182 PolarHBondContact O-N 2.92Å; K179-M182 PolarHBondContact O-N 3.02Å; I180-M182 VanDerWaalsContact C-N 3.33Å; I180-M182 PolarHBondContact O-N 3.28Å; M182-S185 PolarHBondContact O-OG 3.34Å; M182-N186 PolarHBondContact O-ND2 3.04Å
183Y93.7Very high90.7Very high162 Ų162105 Ų10564%0.63554%0.543SS*.Hα-helixtrans-71.2-41.9175.5-73.5-60.5000111.7K179 I180 K181 N186K179-Y183 HydrophobicContact CB-CE2 4.42Å; K179-Y183 WeakPolarHBondContact O-CD2 3.49Å; K179-Y183 PolarHBondContact O-N 3.1Å; I180-Y183 PolarHBondContact O-N 3.3Å; K181-Y183 PolarHBondContact O-N 3.2Å; Y183-N186 PolarHBondContact O-N 3.44Å
184M94.6Very high90.3Very high116 Ų116107 Ų10757%0.57154%0.544SS*.Hα-helixtrans-71.5-29.9-179.3-66.7-69.492.800113.2I180 K181 N186 F187I180-M184 HydrophobicContact CG2-CG 4.08Å; I180-M184 WeakPolarHBondContact O-CB 3.23Å; I180-M184 WeakPolarHBondContact O-CG 3.39Å; I180-M184 PolarHBondContact O-N 3.31Å; K181-M184 PolarHBondContact O-N 2.94Å; M184-N186 PolarHBondContact O-N 2.85Å; M184-F187 HydrophobicContact CE-CB 4.48Å; M184-F187 WeakPolarHBondContact O-CB 3.28Å; M184-F187 PolarHBondContact O-N 3.44Å; M184-F187 VanDerWaalsContact O-N 3.1Å
185S91.9Very high89.9Confident75 Ų75105 Ų10552%0.52453%0.531SS..THydrogen-bonded Turntrans-65.8-21.2176.669.20000113.4K181 M182 H188K181-S185 WeakPolarHBondContact O-CB 3.28Å; K181-S185 PolarHBondContact O-N 3.41Å; K181-S185 PolarHBondContact O-OG 3.36Å; M182-S185 PolarHBondContact O-OG 3.34Å; S185-H188 PolarHBondContact O-CE1 3.4Å; S185-H188 VanDerWaalsContact O-CE1 3.31Å
186N90.4Very high89.3Confident118 Ų118102.6 Ų102.663%0.63152%0.521SS*.THydrogen-bonded Turntrans-93-10.4177.1-67.2-55.7000112.6M182 Y183 M184 H188M182-N186 PolarHBondContact O-ND2 3.04Å; Y183-N186 PolarHBondContact O-N 3.44Å; M184-N186 PolarHBondContact O-N 2.85Å; N186-H188 PolarHBondContact O-N 2.9Å; N186-H188 PolarHBondContact O-ND1 2.9Å
187F89.9Confident88.9Confident136 Ų136103.7 Ų103.760%0.59652%0.521SS*.  trans-78.4116178.5-175.2-95.4000110.3M184 L189M184-F187 HydrophobicContact CE-CB 4.48Å; M184-F187 WeakPolarHBondContact O-CB 3.28Å; M184-F187 PolarHBondContact O-N 3.44Å; M184-F187 VanDerWaalsContact O-N 3.1Å; F187-L189 HydrophobicContact CE1-CD2 3.91Å; F187-L189 HydrophobicContact CE1-CG 4.43Å; F187-L189 HydrophobicContact CZ-CD2 4.03Å
188H88.4Confident88.4Confident145 Ų145104.3 Ų104.367%0.67153%0.527SS*.  trans-129.2136.1176.4-60.680.3000108.9S185 N186S185-H188 PolarHBondContact O-CE1 3.4Å; S185-H188 VanDerWaalsContact O-CE1 3.31Å; N186-H188 PolarHBondContact O-N 2.9Å; N186-H188 PolarHBondContact O-ND1 2.9Å
189L85.4Confident87.9Confident97 Ų97104.9 Ų104.951%0.50853%0.533SS..  trans-71.7132.3173.8-66.8176.8000109.6F187 Y194F187-L189 HydrophobicContact CE1-CD2 3.91Å; F187-L189 HydrophobicContact CE1-CG 4.43Å; F187-L189 HydrophobicContact CZ-CD2 4.03Å; L189-Y194 HydrophobicContact CB-CE1 4.14Å
190P88Confident87.4Confident76 Ų76103 Ų10349%0.49453%0.527SS..  trans-57.4143.3169.8-22.232.2000110.6S192 Q193P190-S192 PolarHBondContact O-N 3.11Å; P190-Q193 HydrophobicContact CB-CG 4.26Å; P190-Q193 HydrophobicContact CG-CG 4.28Å; P190-Q193 WeakPolarHBondContact O-CB 3.44Å; P190-Q193 PolarHBondContact O-N 2.72Å
191I81.7Confident87Confident126 Ų12699.2 Ų99.265%0.64651%0.507SS*.G310 helixtrans-57.5-28.7-179.3-57176.4000112Q193 Y194I191-Q193 PolarHBondContact O-N 3.4Å; I191-Y194 HydrophobicContact CB-CD2 4.13Å; I191-Y194 HydrophobicContact CB-CE2 3.95Å; I191-Y194 HydrophobicContact CG1-CE2 3.9Å; I191-Y194 HydrophobicContact CG2-CD2 3.77Å; I191-Y194 HydrophobicContact CG2-CE2 3.93Å; I191-Y194 WeakPolarHBondContact O-CD2 3.3Å; I191-Y194 PolarHBondContact O-N 3.29Å
192S83.4Confident86.6Confident104 Ų10496.4 Ų96.473%0.72750%0.502SS*.G310 helixtrans-66.5-15.417656.30000114.5P190P190-S192 PolarHBondContact O-N 3.11Å
193Q81.9Confident86.2Confident131 Ų13195.9 Ų95.961%0.61250%0.498SS*.G310 helixtrans-92.2-4.8177.4-60.4-65.2-22.200112.3P190 I191P190-Q193 HydrophobicContact CB-CG 4.26Å; P190-Q193 HydrophobicContact CG-CG 4.28Å; P190-Q193 WeakPolarHBondContact O-CB 3.44Å; P190-Q193 PolarHBondContact O-N 2.72Å; I191-Q193 PolarHBondContact O-N 3.4Å
194Y82.6Confident85.9Confident106 Ų10694.9 Ų94.942%0.41650%0.499SS..SBendtrans-71.1129.9173.7-59.1-35.3000109.9L189 I191 T196L189-Y194 HydrophobicContact CB-CE1 4.14Å; I191-Y194 HydrophobicContact CB-CD2 4.13Å; I191-Y194 HydrophobicContact CB-CE2 3.95Å; I191-Y194 HydrophobicContact CG1-CE2 3.9Å; I191-Y194 HydrophobicContact CG2-CD2 3.77Å; I191-Y194 HydrophobicContact CG2-CE2 3.93Å; I191-Y194 WeakPolarHBondContact O-CD2 3.3Å; I191-Y194 PolarHBondContact O-N 3.29Å; Y194-T196 PolarHBondContact O-N 3.3Å
195P82.2Confident85.6Confident56 Ų5691.6 Ų91.636%0.36448%0.483SS..  trans-55.6142.9174.8-2634.7000111.2W197 A198P195-W197 HydrophobicContact CB-CD2 4.18Å; P195-W197 HydrophobicContact CB-CG 3.98Å; P195-W197 HydrophobicContact CB-CZ2 4.28Å; P195-W197 HydrophobicContact CG-CZ2 4.12Å; P195-W197 PolarHBondContact O-N 3.22Å; P195-W197 VanDerWaalsContact O-N 3.08Å; P195-A198 WeakPolarHBondContact O-CB 3.29Å; P195-A198 PolarHBondContact O-N 3.39Å
196T81.2Confident85.3Confident63 Ų6392 Ų9239%0.38747%0.474SS..Hα-helixtrans-58.4-26.9-179.554.90000112.8H128 Y194 A198 T199 Q200H128-T196 PolarHBondContact CE1-OG1 3.1Å; H128-T196 PolarHBondContact ND1-OG1 2.78Å; Y194-T196 PolarHBondContact O-N 3.3Å; T196-A198 VanDerWaalsContact C-N 3.33Å; T196-T199 PolarHBondContact O-OG1 3.09Å; T196-T199 VanDerWaalsContact O-OG1 3.05Å; T196-Q200 WeakPolarHBondContact O-CG 2.88Å; T196-Q200 PolarHBondContact O-N 3.12Å; T196-Q200 PolarHBondContact O-NE2 2.9Å
197W84.5Confident85.3Confident112 Ų11290.2 Ų90.242%0.42446%0.46SS..Hα-helixtrans-66.2-34.8174.364.5-104.6000112.4L125 H128 P195 T199 Q200 I201L125-W197 HydrophobicContact CD2-CB 4.39Å; L125-W197 HydrophobicContact CD2-CE3 4.39Å; H128-W197 HydrophobicContact CB-CB 4.11Å; P195-W197 HydrophobicContact CB-CD2 4.18Å; P195-W197 HydrophobicContact CB-CG 3.98Å; P195-W197 HydrophobicContact CB-CZ2 4.28Å; P195-W197 HydrophobicContact CG-CZ2 4.12Å; P195-W197 PolarHBondContact O-N 3.22Å; P195-W197 VanDerWaalsContact O-N 3.08Å; W197-T199 VanDerWaalsContact C-N 3.28Å; W197-T199 PolarHBondContact O-N 3.31Å; W197-Q200 PolarHBondContact O-N 3.33Å; W197-I201 PolarHBondContact O-N 2.87Å; W197-I201 VanDerWaalsContact O-N 3.09Å
198A84.3Confident85.3Confident42 Ų4286.6 Ų86.635%0.34745%0.452SS..Hα-helixtrans-71.4-24.5-177.400000112.3P195 T196P195-A198 WeakPolarHBondContact O-CB 3.29Å; P195-A198 PolarHBondContact O-N 3.39Å; T196-A198 VanDerWaalsContact C-N 3.33Å
199T83.7Confident85.1Confident100 Ų10083 Ų8361%0.61343%0.434SS*.Hα-helixtrans-90.2-25.6175.258.60000113.1T196 W197T196-T199 PolarHBondContact O-OG1 3.09Å; T196-T199 VanDerWaalsContact O-OG1 3.05Å; W197-T199 VanDerWaalsContact C-N 3.28Å; W197-T199 PolarHBondContact O-N 3.31Å
200Q83.8Confident85.3Confident80 Ų8082.2 Ų82.237%0.37443%0.43SS..Hα-helixtrans-86.4-25.9-178.9-75.8170.985.200113.8L124 H128 T196 W197L124-Q200 HydrophobicContact CD2-CB 3.99Å; H128-Q200 PolarHBondContact CE1-NE2 2.99Å; H128-Q200 PolarHBondContact NE2-NE2 3.13Å; T196-Q200 WeakPolarHBondContact O-CG 2.88Å; T196-Q200 PolarHBondContact O-N 3.12Å; T196-Q200 PolarHBondContact O-NE2 2.9Å; W197-Q200 PolarHBondContact O-N 3.33Å
201I85.6Confident85.4Confident6 Ų683.4 Ų83.43%0.03143%0.432CS..SBendtrans-103.5114177.8-56.5159.8000108.6V121 L124 L125 W197 W206V121-I201 HydrophobicContact CG1-CD1 4.2Å; V121-I201 HydrophobicContact CG1-CG2 4.11Å; V121-I201 HydrophobicContact CG2-CG2 3.97Å; L124-I201 HydrophobicContact CD2-CD1 4.03Å; L124-I201 HydrophobicContact CD2-CG1 3.33Å; L124-I201 HydrophobicContact CG-CD1 4.09Å; L124-I201 HydrophobicContact CG-CG1 3.95Å; L125-I201 HydrophobicContact CD1-CD1 4.5Å; L125-I201 HydrophobicContact CD2-CD1 3.52Å; L125-I201 HydrophobicContact CG-CD1 3.69Å; W197-I201 PolarHBondContact O-N 2.87Å; W197-I201 VanDerWaalsContact O-N 3.09Å; I201-W206 HydrophobicContact CG2-CB 3.73Å
202P86.5Confident85.8Confident69 Ų6981.3 Ų81.345%0.44842%0.419SS..  trans-58143.7176.6-24.734.2000112.6E204 L205 W206P202-E204 VanDerWaalsContact C-N 3.31Å; P202-E204 PolarHBondContact O-N 3.08Å; P202-L205 HydrophobicContact CB-CB 4.25Å; P202-L205 PolarHBondContact O-N 3.13Å; P202-W206 PolarHBondContact O-N 2.89Å; P202-W206 VanDerWaalsContact O-N 3.13Å
203E86.3Confident86Confident94 Ų9481.3 Ų81.344%0.43941%0.406SS..Hα-helixtrans-52.7-48.1-177.4-173.776.7178.300112.6L205 W206 K207E203-L205 VanDerWaalsContact C-N 3.27Å; E203-L205 PolarHBondContact O-N 3.31Å; E203-W206 PolarHBondContact O-NE1 3.47Å; E203-W206 VanDerWaalsContact OE1-CZ2 3.3Å; E203-W206 WeakPolarHBondContact OE1-CZ2 3.36Å; E203-W206 PolarHBondContact OE2-NE1 3.43Å; E203-K207 HydrophobicContact CG-CD 4.03Å; E203-K207 WeakPolarHBondContact O-CB 3.37Å; E203-K207 VanDerWaalsContact O-CG 3.29Å; E203-K207 WeakPolarHBondContact O-CG 3.21Å; E203-K207 PolarHBondContact O-N 3.47Å; E203-K207 WeakPolarHBondContact OE1-CE 3.34Å; E203-K207 IonicContact OE1-NZ 3.62Å; E203-K207 PolarHBondContact OE1-NZ 2.88Å
204E87.9Confident86.3Confident141 Ų14178.5 Ų78.566%0.65939%0.394SS*.Hα-helixtrans-65.1-30.9-179-54.8-51.3138.400112.8P202 S208P202-E204 VanDerWaalsContact C-N 3.31Å; P202-E204 PolarHBondContact O-N 3.08Å; E204-S208 WeakPolarHBondContact O-CB 3.24Å; E204-S208 PolarHBondContact O-N 3.49Å; E204-S208 VanDerWaalsContact O-N 3.11Å; E204-S208 PolarHBondContact O-OG 3.25Å
205L87.6Confident86.5Confident46 Ų4680 Ų8024%0.24141%0.405CS..Hα-helixtrans-77.1-44.9-178.7-173.168.5000111.4V119 V121 P202 E203 S208 K209V119-L205 HydrophobicContact CB-CD2 3.78Å; V119-L205 HydrophobicContact CG1-CD2 4.35Å; V121-L205 HydrophobicContact CG2-CD2 3.54Å; V121-L205 HydrophobicContact CG2-CG 3.65Å; P202-L205 HydrophobicContact CB-CB 4.25Å; P202-L205 PolarHBondContact O-N 3.13Å; E203-L205 VanDerWaalsContact C-N 3.27Å; E203-L205 PolarHBondContact O-N 3.31Å; L205-S208 PolarHBondContact O-OG 3.39Å; L205-K209 WeakPolarHBondContact O-CB 3.35Å; L205-K209 WeakPolarHBondContact O-CG 3.07Å; L205-K209 PolarHBondContact O-N 3.15Å; L205-K209 VanDerWaalsContact O-N 3.1Å
206W87Confident86.4Confident85 Ų8583.5 Ų83.532%0.32242%0.417SS..Hα-helixtrans-69.7-36176.877.4-100.5000111.7I201 P202 E203 K209 L210I201-W206 HydrophobicContact CG2-CB 3.73Å; P202-W206 PolarHBondContact O-N 2.89Å; P202-W206 VanDerWaalsContact O-N 3.13Å; E203-W206 PolarHBondContact O-NE1 3.47Å; E203-W206 VanDerWaalsContact OE1-CZ2 3.3Å; E203-W206 WeakPolarHBondContact OE1-CZ2 3.36Å; E203-W206 PolarHBondContact OE2-NE1 3.43Å; W206-K209 PolarHBondContact O-N 2.82Å; W206-L210 HydrophobicContact CE3-CB 4.35Å; W206-L210 HydrophobicContact CE3-CD2 4.19Å; W206-L210 HydrophobicContact CZ3-CD2 3.65Å; W206-L210 VanDerWaalsContact O-CB 3.29Å; W206-L210 WeakPolarHBondContact O-CB 3.25Å; W206-L210 PolarHBondContact O-N 3.24Å
207K89.5Confident86.1Confident80 Ų8087.1 Ų87.135%0.34843%0.433SS..Hα-helixtrans-61.4-49.2175.6-79.3178.8177.6157.80112E203 K209 L210 L211E203-K207 HydrophobicContact CG-CD 4.03Å; E203-K207 WeakPolarHBondContact O-CB 3.37Å; E203-K207 VanDerWaalsContact O-CG 3.29Å; E203-K207 WeakPolarHBondContact O-CG 3.21Å; E203-K207 PolarHBondContact O-N 3.47Å; E203-K207 WeakPolarHBondContact OE1-CE 3.34Å; E203-K207 IonicContact OE1-NZ 3.62Å; E203-K207 PolarHBondContact OE1-NZ 2.88Å; K207-K209 PolarHBondContact O-N 2.95Å; K207-L210 PolarHBondContact O-N 2.88Å; K207-L211 WeakPolarHBondContact O-CB 3.45Å; K207-L211 VanDerWaalsContact O-CG 3.28Å; K207-L211 WeakPolarHBondContact O-CG 3.41Å; K207-L211 PolarHBondContact O-N 2.92Å
208S89Confident85.2Confident59 Ų5991 Ų9141%0.41345%0.449SS..Hα-helixtrans-61-43.717852.10000111.8E204 L205 L211 E212E204-S208 WeakPolarHBondContact O-CB 3.24Å; E204-S208 PolarHBondContact O-N 3.49Å; E204-S208 VanDerWaalsContact O-N 3.11Å; E204-S208 PolarHBondContact O-OG 3.25Å; L205-S208 PolarHBondContact O-OG 3.39Å; S208-L211 PolarHBondContact O-N 3.25Å; S208-E212 WeakPolarHBondContact O-CB 3.48Å; S208-E212 PolarHBondContact O-N 3.21Å
209K85.8Confident84Confident70 Ų7097.3 Ų97.330%0.30447%0.469SS..Hα-helixtrans-63.2-40.3175-78.6-75.4161.4-156.10113.5V121 L205 W206 K207 E212 K213V121-K209 HydrophobicContact CB-CG 4.35Å; V121-K209 HydrophobicContact CG2-CG 4.12Å; L205-K209 WeakPolarHBondContact O-CB 3.35Å; L205-K209 WeakPolarHBondContact O-CG 3.07Å; L205-K209 PolarHBondContact O-N 3.15Å; L205-K209 VanDerWaalsContact O-N 3.1Å; W206-K209 PolarHBondContact O-N 2.82Å; K207-K209 PolarHBondContact O-N 2.95Å; K209-E212 IonicContact NZ-OE1 2.86Å; K209-E212 IonicContact NZ-OE2 2.72Å; K209-E212 PolarHBondContact NZ-OE2 3.06Å; K209-K213 WeakPolarHBondContact O-CG 3.37Å; K209-K213 PolarHBondContact O-N 3.25Å
210L88.3Confident82.2Confident81 Ų81101.7 Ų101.742%0.42450%0.499SS..Hα-helixtrans-64.6-48176177.463.1000110.9W206 K207 E212 K213 I214W206-L210 HydrophobicContact CE3-CB 4.35Å; W206-L210 HydrophobicContact CE3-CD2 4.19Å; W206-L210 HydrophobicContact CZ3-CD2 3.65Å; W206-L210 VanDerWaalsContact O-CB 3.29Å; W206-L210 WeakPolarHBondContact O-CB 3.25Å; W206-L210 PolarHBondContact O-N 3.24Å; K207-L210 PolarHBondContact O-N 2.88Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.04Å; L210-K213 PolarHBondContact O-N 2.95Å; L210-I214 HydrophobicContact CD1-CD1 3.82Å; L210-I214 HydrophobicContact CD1-CG1 4.07Å; L210-I214 HydrophobicContact CD2-CD1 4.32Å; L210-I214 HydrophobicContact CG-CD1 3.72Å; L210-I214 HydrophobicContact CG-CG1 4.34Å; L210-I214 WeakPolarHBondContact O-CB 3.34Å; L210-I214 VanDerWaalsContact O-CG1 3.28Å; L210-I214 WeakPolarHBondContact O-CG1 3.28Å; L210-I214 PolarHBondContact O-N 3.24Å
211L90.8Very high82.1Confident100 Ų100102.8 Ų102.852%0.52451%0.506SS..Hα-helixtrans-60.7-42.3177.9-71.3171.4000111.5K207 S208 I214 Q215K207-L211 WeakPolarHBondContact O-CB 3.45Å; K207-L211 VanDerWaalsContact O-CG 3.28Å; K207-L211 WeakPolarHBondContact O-CG 3.41Å; K207-L211 PolarHBondContact O-N 2.92Å; S208-L211 PolarHBondContact O-N 3.25Å; L211-I214 PolarHBondContact O-N 2.92Å; L211-Q215 WeakPolarHBondContact O-CB 3.18Å; L211-Q215 VanDerWaalsContact O-CG 3.23Å; L211-Q215 WeakPolarHBondContact O-CG 3.48Å; L211-Q215 PolarHBondContact O-N 3.29Å
212E89.4Confident82Confident83 Ų83107.9 Ų107.939%0.38853%0.53SS..Hα-helixtrans-55.2-52.9172.4-176.3-175-17900110.4S208 K209 L210 I214 Q215 H216S208-E212 WeakPolarHBondContact O-CB 3.48Å; S208-E212 PolarHBondContact O-N 3.21Å; K209-E212 IonicContact NZ-OE1 2.86Å; K209-E212 IonicContact NZ-OE2 2.72Å; K209-E212 PolarHBondContact NZ-OE2 3.06Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.04Å; E212-I214 PolarHBondContact O-N 2.86Å; E212-Q215 PolarHBondContact O-N 3.11Å; E212-H216 PolarHBondContact O-N 2.92Å; E212-H216 PolarHBondContact O-ND1 3.41Å
213K87.4Confident81.7Confident103 Ų103110.1 Ų110.145%0.44854%0.535SS..Hα-helixtrans-62.1-43.2-179.5-71.1170.782.9162.80112.2D122 K209 L210 H216 N217D122-K213 IonicContact OD1-NZ 3.09Å; D122-K213 PolarHBondContact OD1-NZ 3.05Å; K209-K213 WeakPolarHBondContact O-CG 3.37Å; K209-K213 PolarHBondContact O-N 3.25Å; L210-K213 PolarHBondContact O-N 2.95Å; K213-H216 PolarHBondContact O-N 2.83Å; K213-N217 PolarHBondContact O-N 2.71Å; K213-N217 PolarHBondContact O-ND2 3.29Å
214I89.6Confident81.4Confident72 Ų72111 Ų11137%0.36954%0.541SS..Hα-helixtrans-60.9-48.6178-69.7173.1000109.8L210 L211 E212 H216 N217 Y218L210-I214 HydrophobicContact CD1-CD1 3.82Å; L210-I214 HydrophobicContact CD1-CG1 4.07Å; L210-I214 HydrophobicContact CD2-CD1 4.32Å; L210-I214 HydrophobicContact CG-CD1 3.72Å; L210-I214 HydrophobicContact CG-CG1 4.34Å; L210-I214 WeakPolarHBondContact O-CB 3.34Å; L210-I214 VanDerWaalsContact O-CG1 3.28Å; L210-I214 WeakPolarHBondContact O-CG1 3.28Å; L210-I214 PolarHBondContact O-N 3.24Å; L211-I214 PolarHBondContact O-N 2.92Å; E212-I214 PolarHBondContact O-N 2.86Å; I214-H216 VanDerWaalsContact C-N 3.32Å; I214-H216 PolarHBondContact O-N 3.47Å; I214-N217 PolarHBondContact O-N 2.95Å; I214-N217 VanDerWaalsContact O-N 3.13Å; I214-Y218 HydrophobicContact CG2-CD2 3.65Å; I214-Y218 HydrophobicContact CG2-CE2 3.51Å; I214-Y218 WeakPolarHBondContact O-CD2 3.27Å; I214-Y218 PolarHBondContact O-N 3.26Å
215Q86.3Confident81Confident139 Ų139109.1 Ų109.165%0.6553%0.533SS*.Hα-helixtrans-61.6-36.9179.6-72.6174.8-700113.3L211 E212 N217 Y218L211-Q215 WeakPolarHBondContact O-CB 3.18Å; L211-Q215 VanDerWaalsContact O-CG 3.23Å; L211-Q215 WeakPolarHBondContact O-CG 3.48Å; L211-Q215 PolarHBondContact O-N 3.29Å; E212-Q215 PolarHBondContact O-N 3.11Å; Q215-N217 VanDerWaalsContact C-N 3.34Å; Q215-Y218 PolarHBondContact O-N 3.43Å
216H79.6Confident80.6Confident129 Ų129113.3 Ų113.360%0.59755%0.553SS**Hα-helixtrans-67.9-32.5176.2-7585.9000112.8E212 K213 I214 Y218E212-H216 PolarHBondContact O-N 2.92Å; E212-H216 PolarHBondContact O-ND1 3.41Å; K213-H216 PolarHBondContact O-N 2.83Å; I214-H216 VanDerWaalsContact C-N 3.32Å; I214-H216 PolarHBondContact O-N 3.47Å; H216-Y218 VanDerWaalsContact C-N 3.33Å
217N75.3Confident80.2Confident138 Ų138115.4 Ų115.474%0.73857%0.569SS**Hα-helixtrans-78.1-16.4176.8-73.4-71.7000113.5K213 I214 Q215K213-N217 PolarHBondContact O-N 2.71Å; K213-N217 PolarHBondContact O-ND2 3.29Å; I214-N217 PolarHBondContact O-N 2.95Å; I214-N217 VanDerWaalsContact O-N 3.13Å; Q215-N217 VanDerWaalsContact C-N 3.34Å
218Y65.8Low79.4Confident194 Ų194118.1 Ų118.176%0.76159%0.586SS**THydrogen-bonded Turntrans-90.84.3175.9-82.8-70.9000114I214 Q215 H216I214-Y218 HydrophobicContact CG2-CD2 3.65Å; I214-Y218 HydrophobicContact CG2-CE2 3.51Å; I214-Y218 WeakPolarHBondContact O-CD2 3.27Å; I214-Y218 PolarHBondContact O-N 3.26Å; Q215-Y218 PolarHBondContact O-N 3.43Å; H216-Y218 VanDerWaalsContact C-N 3.33Å
219K58.5Low78.6Confident175 Ų175123 Ų12376%0.76160%0.601SS**  trans-83.6121.7173.1-164.3175-179.7-177.70109.2
220P46.8Very low78Confident192 Ų192127.8 Ų127.8100%1.24763%0.628SS**  trans-64.20-18029.1-36.4000112.8

Retrieved 220 of 220 residues in 72.2 ms (Link to these results)