A0A3Q0KD77_SCHMA Loading...

Subfamily M23B non-peptidase homologue (M23 family)

AlphaFold DB , UniProt , Accession A0A3Q0KD77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 512 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
1M37.1Very low42.3Very low233 Ų233170.1 Ų170.1100%1.14883%0.831SS**  0127.80-78176.3-171.400106.9
2E39.4Very low42.5Very low183 Ų183168.8 Ų168.886%0.85583%0.829SS**  trans64.2101.1165.9-61.8175171.500116.8
3W38.5Very low42.6Very low208 Ų208164.2 Ų164.279%0.78882%0.82SS**  49.411190.1-83.755.8000113.8
4M40.9Very low42.5Very low154 Ų154159.6 Ų159.676%0.75982%0.821SS**  164130.1114.5-90.1-173.116300113.5
5N45.5Very low42.7Very low130 Ų130164.1 Ų164.170%0.69582%0.823SS**  trans57113.6136.7-58.9-26.9000119.7
6S46.7Very low42.5Very low104 Ų104160.7 Ų160.773%0.72782%0.819SS**  -179.2116.494.5-80.40000112V8S6-V8 PolarHBondContact O-N 3.36Å
7N41.6Very low42.6Very low175 Ų175160.8 Ų160.894%0.93682%0.82SS**  trans-58.4108.9148.1-96.4-28.8000108.5
8V48.8Very low42.5Very low119 Ų119156.9 Ų156.972%0.72181%0.81SS**  trans-139102156.3-179.80000108.5S6 R10S6-V8 PolarHBondContact O-N 3.36Å; V8-R10 PolarHBondContact O-N 3.04Å
9L39Very low42.4Very low150 Ų150158.7 Ų158.779%0.78581%0.814SS**  trans6.1112.7141.2-83.7131.4000115.9
10R44.9Very low42.6Very low235 Ų235156.3 Ų156.389%0.88781%0.812SS**  trans-148.299.5138.1-103.1176.5-146.4-119.43.4109.5V8 L12V8-R10 PolarHBondContact O-N 3.04Å; R10-L12 PolarHBondContact O-N 3.25Å
11Q43.2Very low42.7Very low180 Ų180154.9 Ų154.984%0.84181%0.81SS**  trans-57.2124.4153.2-70.9175-5.200108.2
12L44.5Very low43.2Very low155 Ų155152.7 Ų152.781%0.81280%0.797SS**  trans-137.7141.2152.1-78.1179.3000108.8R10R10-L12 PolarHBondContact O-N 3.25Å
13P43.4Very low43.5Very low108 Ų108153.3 Ų153.370%0.70180%0.797SS**  trans-87.3151.9-158.734.9-35.1000112.7R15P13-R15 PolarHBondContact O-N 3.33Å
14A41.4Very low43.8Very low101 Ų101152.6 Ų152.684%0.83580%0.802SS**  trans-54.7121.2162.500000110.2
15R45.7Very low43.8Very low226 Ų226148.2 Ų148.285%0.85380%0.796SS**  trans-105.6102.3159.8-86.4-173.2174.9-168.8-1.4108.1P13 I17P13-R15 PolarHBondContact O-N 3.33Å; R15-I17 PolarHBondContact O-N 3.26Å
16S40.1Very low43.8Very low110 Ų110152.6 Ų152.677%0.76980%0.804SS**  trans-56.5122.715227.10000109
17I44.1Very low43.8Very low163 Ų163152.6 Ų152.684%0.83681%0.805SS**  trans-107.8100.4164.7-62.5175.2000105.8R15R15-I17 PolarHBondContact O-N 3.26Å
18S39.7Very low43.8Very low90 Ų90147.8 Ų147.863%0.62980%0.796SS**  trans-85.7148.8163.7-20.50000108.9
19E41.9Very low43.5Very low191 Ų191153 Ų15389%0.89380%0.803SS**  trans63.6104.3152.8-66.9177.3147.500119.6
20S46.7Very low43.7Very low111 Ų111151.4 Ų151.478%0.77680%0.804SS**  -154.3104.6124.768.30000111.9
21V43.3Very low43.8Very low127 Ų127146.6 Ų146.677%0.7780%0.796SS**  31.3109127-173.70000116.8
22H48.3Very low44Very low186 Ų186147.5 Ų147.586%0.86180%0.797SS**  -149.3110.2128.7-101.5-70.2000110
23K45.5Very low44Very low197 Ų197147.7 Ų147.786%0.85780%0.797SS**  trans-89.3125.2160.7-82.7177.4173.9175.20107.4
24E45Very low44Very low193 Ų193154 Ų15490%0.90281%0.807SS**  trans-178.5118.3153.2-104.8170.4-165.800103.4
25G41.7Very low44Very low61 Ų61152.4 Ų152.463%0.62980%0.8SS**  122.615059.200000106.1
26Y44.6Very low44Very low222 Ų222146.8 Ų146.887%0.87180%0.796SS**  trans88.584.7-178.9-55.9-78.2000115.1
27S47.4Very low44.1Very low105 Ų105151.3 Ų151.373%0.73480%0.802SS**  61.5106.589.578.90000111.2
28G40.6Very low44.2Very low73 Ų73148.6 Ų148.675%0.75380%0.798SS**  91.887.856.700000109
29R42.7Very low44.5Very low230 Ų230155 Ų15587%0.86881%0.808SS**  trans-167.990.8151.3-110.8173-177-160.90.2110.4
30S44.1Very low44.8Very low116 Ų116155.6 Ų155.681%0.81181%0.808SS**  trans-84.6103.2163.1-173.60000107.7K32S30-K32 PolarHBondContact O-N 3.19Å
31N45.3Very low44.7Very low133 Ų133158 Ų15871%0.71181%0.807SS**  trans-85.195.8171-82.1-14.2000109.8I33N31-I33 PolarHBondContact O-N 3.42Å
32K47.8Very low44.7Very low199 Ų199159.8 Ų159.887%0.86581%0.81SS**  trans-66.3102.8159.7-120.9171.7-179.1170.60107.6S30 R34S30-K32 PolarHBondContact O-N 3.19Å; K32-R34 PolarHBondContact O-N 3.49Å
33I45.8Very low44.6Very low160 Ų160157.4 Ų157.482%0.82180%0.804SS**  trans-88.597.4164.9-62.9179.2000107.4N31 G35N31-I33 PolarHBondContact O-N 3.42Å; I33-G35 PolarHBondContact O-N 2.95Å
34R42.7Very low44.3Very low240 Ų240153.3 Ų153.391%0.90680%0.799SS**  trans-82.496.3166.5-171.5-176.8-165.1-154.94.1106.9K32K32-R34 PolarHBondContact O-N 3.49Å
35G42.1Very low44.4Very low67 Ų67149.5 Ų149.569%0.69179%0.791SS**  trans-97.5115172.600000110.4I33I33-G35 PolarHBondContact O-N 2.95Å
36S44.6Very low44.5Very low108 Ų108154 Ų15476%0.75580%0.801SS**  trans-59.6125.5-170.8-38.70000113.9S38S36-S38 PolarHBondContact O-N 2.79Å; S36-S38 VanDerWaalsContact O-N 3.17Å
37F41.8Very low44.7Very low205 Ų205152.1 Ų152.190%0.89980%0.798SS**  trans-78.586.6168-140.6-93.1000108.7R39F37-R39 PolarHBondContact O-N 3.01Å; F37-R39 VanDerWaalsContact O-N 3.15Å
38S46.6Very low44.6Very low107 Ų107158.2 Ų158.275%0.74880%0.804SS**  trans-79.696.3172.3-72.90000110.1S36 K40S36-S38 PolarHBondContact O-N 2.79Å; S36-S38 VanDerWaalsContact O-N 3.17Å; S38-K40 PolarHBondContact O-N 2.91Å; S38-K40 VanDerWaalsContact O-N 3.16Å
39R45.9Very low44.8Very low225 Ų225164.8 Ų164.885%0.84981%0.808SS**  trans-59.4104.1167-159.9-179-73.5-150.4-0.7108.2F37 Q41F37-R39 PolarHBondContact O-N 3.01Å; F37-R39 VanDerWaalsContact O-N 3.15Å; R39-Q41 PolarHBondContact O-N 3.39Å
40K48.4Very low45.1Very low203 Ų203159.2 Ų159.288%0.88380%0.8SS**  trans-66.8124.2169.6-85.8-175.6178179.30108.6S38S38-K40 PolarHBondContact O-N 2.91Å; S38-K40 VanDerWaalsContact O-N 3.16Å
41Q45Very low45Very low162 Ų162165 Ų16576%0.75780%0.803SS**  trans-63.9140178.7-72.7-174.8-20.900111.3R39 N43R39-Q41 PolarHBondContact O-N 3.39Å; Q41-N43 PolarHBondContact O-N 3.5Å
42I42.2Very low45.1Very low164 Ų164167 Ų16784%0.84181%0.814SS**  trans-72.1108.9165-57.4158.2000105.8
43N47.5Very low44.8Very low136 Ų136163.2 Ų163.273%0.72781%0.813SS**  trans-118.897.2164.5-78.6-21.9000107.4Q41Q41-N43 PolarHBondContact O-N 3.5Å
44S38Very low44.6Very low110 Ų110159.5 Ų159.577%0.76981%0.806SS**  trans-91.3127.8159.9179.50000107.3
45P47.2Very low44.6Very low113 Ų113156.2 Ų156.273%0.73480%0.803SS**  trans-139112.7143.432.9-16.1000109.3
46D44.8Very low44.7Very low155 Ų155157.9 Ų157.983%0.82980%0.803SS**  -152.4122.3127.5-139.9-20.3000111.6
47K47.9Very low44.7Very low184 Ų184160.6 Ų160.680%0.881%0.809SS**  trans-113.7120.5170.3-74.8177176.5176.60104.1
48R46.4Very low45.1Very low232 Ų232156.7 Ų156.788%0.87580%0.802SS**  trans161.4141.2134.7-87.8164.6-137-148.76.8111.1
49Y44.5Very low45Very low212 Ų212158.7 Ų158.783%0.83181%0.805SS**  trans124.279.2165.7-84.2-89000111.3
50T47.7Very low44.8Very low112 Ų112158.4 Ų158.469%0.68780%0.803SS**  60.994.697.758.20000112
51R42.1Very low44.6Very low237 Ų237154.8 Ų154.889%0.89479%0.794SS**  63.797.291.4-160.3-176.1-155.8161.75.5111.8
52N48.3Very low44.5Very low175 Ų175157.9 Ų157.994%0.93681%0.805SS**  trans-144.7105.9148.3-85.6-24.8000107.5
53S41.4Very low44.7Very low121 Ų121154 Ų15485%0.84680%0.798SS**  trans-139.5143.5170.8-162.30000105.4
54A42.5Very low44.7Very low81 Ų81157 Ų15767%0.66981%0.805SS**  trans93.2100.4-179.800000116.9
55M42Very low44.9Very low171 Ų171159.2 Ų159.284%0.84281%0.808SS**  trans-150.595.9130.2-85.8-63.2120.600104.9
56C43.6Very low44.8Very low103 Ų103158.1 Ų158.170%0.69680%0.802SS**  77.594.493.7-66.60000113.1
57N44.1Very low44.6Very low164 Ų164158.2 Ų158.288%0.87780%0.803SS**  trans-63.5134.9150.2-77.4-26.9000109.3
58T51.2Low44.3Very low123 Ų123155.5 Ų155.576%0.75581%0.806SS**  trans-169.3150.6144.241.10000110.2
59N43.7Very low44Very low149 Ų149150.4 Ų150.480%0.79780%0.802SS**  trans91.785.3177.9-52.4-13.6000111.6
60R43Very low44Very low219 Ų219144.2 Ų144.283%0.82679%0.787SS**  cis52.1122.748.6-115.5-166.9-149.5-178.36.1112.8
61D43.1Very low44.2Very low127 Ų127144.1 Ų144.168%0.67979%0.79SS**  trans85.179.7155.8-47.1-30.5000118.2
62F43.7Very low44.7Very low227 Ų227138.5 Ų138.5100%0.99678%0.778SS**  trans-127.488.9135.7-89-81.2000108.7
63A46.6Very low45Very low83 Ų83135.7 Ų135.769%0.68676%0.758SS**  trans-98.4154.3166.400000109.6
64K47.2Very low46.3Very low200 Ų200135.5 Ų135.587%0.8775%0.747SS**  trans97.890.9162.7-55.8176.2-179.5179.60117.2
65N42.3Very low47.9Very low156 Ų156136.8 Ų136.883%0.83474%0.743SS**  -172.8103117.3-118.6-1.2000107.8
66S44.3Very low49.7Very low89 Ų89134 Ų13462%0.62273%0.731SS**  100.1102.988.567.20000111.4
67N41.9Very low51.8Low158 Ų158135.4 Ų135.485%0.84572%0.723SS**  trans58.4100.8147.8-60.4-12.1000119.7
68C41.7Very low54Low126 Ų126132.6 Ų132.685%0.85171%0.708SS**  trans-162.7131.8137.1-107.90000110.6
69P39.4Very low55.8Low125 Ų125131.3 Ų131.381%0.81270%0.696SS**  trans-91.5116-171.733.9-28000110.8
70V43.4Very low58.2Low83 Ų83129.5 Ų129.550%0.50368%0.683SS.*  trans-141.192.6164.2-161.80000111N72 F73V70-N72 PolarHBondContact O-N 3.22Å; V70-F73 HydrophobicContact CB-CD2 3.63Å; V70-F73 HydrophobicContact CB-CE2 4.11Å; V70-F73 HydrophobicContact CG1-CD2 3.19Å; V70-F73 HydrophobicContact CG1-CE2 3.49Å; V70-F73 VanDerWaalsContact CG1-CE2 3.49Å; V70-F73 HydrophobicContact CG1-CG 4.28Å; V70-F73 HydrophobicContact CG2-CD2 4.15Å; V70-F73 HydrophobicContact CG2-CE2 4.2Å
71S53Low60.5Low109 Ų109122.8 Ų122.876%0.76266%0.662SS**THydrogen-bonded Turntrans-77.712.6-178.654.30000114.8
72N52.8Low62.9Low120 Ų120120.7 Ų120.764%0.64265%0.651SS**THydrogen-bonded Turntrans-119.2-13.6-179.6-65.81000114.5V70 N74V70-N72 PolarHBondContact O-N 3.22Å; N72-N74 VanDerWaalsContact C-N 3.35Å
73F54.2Low65.2Low116 Ų116115.2 Ų115.251%0.50963%0.631SS.*Hα-helixtrans-74.4-26.1179.2-83.2-69.1000113V70 D75 Y77V70-F73 HydrophobicContact CB-CD2 3.63Å; V70-F73 HydrophobicContact CB-CE2 4.11Å; V70-F73 HydrophobicContact CG1-CD2 3.19Å; V70-F73 HydrophobicContact CG1-CE2 3.49Å; V70-F73 VanDerWaalsContact CG1-CE2 3.49Å; V70-F73 HydrophobicContact CG1-CG 4.28Å; V70-F73 HydrophobicContact CG2-CD2 4.15Å; V70-F73 HydrophobicContact CG2-CE2 4.2Å; F73-D75 VanDerWaalsContact C-N 3.33Å; F73-D75 PolarHBondContact O-N 2.89Å; F73-Y77 HydrophobicContact CB-CD2 4.4Å; F73-Y77 HydrophobicContact CB-CE2 3.98Å; F73-Y77 HydrophobicContact CD1-CE2 4.43Å; F73-Y77 WeakPolarHBondContact O-CD2 3.26Å; F73-Y77 PolarHBondContact O-N 3.2Å
74N69.1Low67.6Low116 Ų116115.5 Ų115.562%0.6262%0.62SS**Hα-helixtrans-67.2-30.9-175.9-80.7-33.3000113.3N72 L78N72-N74 VanDerWaalsContact C-N 3.35Å; N74-L78 VanDerWaalsContact O-CG 3.23Å; N74-L78 WeakPolarHBondContact O-CG 3.21Å; N74-L78 PolarHBondContact O-N 2.82Å
75D74.7Confident69.9Low108 Ų108114.4 Ų114.458%0.57861%0.611SS**Hα-helixtrans-75.9-40.8-178.3-74.2-19.2000112.3F73 Y77 L78 D79F73-D75 VanDerWaalsContact C-N 3.33Å; F73-D75 PolarHBondContact O-N 2.89Å; D75-Y77 VanDerWaalsContact C-N 3.32Å; D75-Y77 PolarHBondContact O-N 2.72Å; D75-L78 WeakPolarHBondContact O-CB 3.33Å; D75-L78 PolarHBondContact O-N 3.47Å; D75-L78 VanDerWaalsContact O-N 3.07Å; D75-D79 PolarHBondContact O-N 2.96Å
76D81.3Confident72.4Confident112 Ų112113.2 Ų113.260%0.59960%0.598SS**Hα-helixtrans-61.4-40.1176-74.6-16.3000111.9L78 D79 E80D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 3.27Å; D76-D79 PolarHBondContact O-N 3.45Å; D76-E80 PolarHBondContact O-N 3.48Å
77Y87.5Confident74.8Confident133 Ų133115.2 Ų115.252%0.52260%0.596SS.*Hα-helixtrans-66.2-33.8174.7-69.6-57.1000112.3F73 D75 I81F73-Y77 HydrophobicContact CB-CD2 4.4Å; F73-Y77 HydrophobicContact CB-CE2 3.98Å; F73-Y77 HydrophobicContact CD1-CE2 4.43Å; F73-Y77 WeakPolarHBondContact O-CD2 3.26Å; F73-Y77 PolarHBondContact O-N 3.2Å; D75-Y77 VanDerWaalsContact C-N 3.32Å; D75-Y77 PolarHBondContact O-N 2.72Å; Y77-I81 WeakPolarHBondContact O-CB 3.43Å; Y77-I81 VanDerWaalsContact O-CD1 3.31Å; Y77-I81 WeakPolarHBondContact O-CD1 3.25Å; Y77-I81 WeakPolarHBondContact O-CG1 3.49Å; Y77-I81 PolarHBondContact O-N 3.07Å
78L89.2Confident77.4Confident106 Ų106111.9 Ų111.956%0.55558%0.581SS**Hα-helixtrans-69-39.9176.4-73.8169.5000111.8N74 D75 D76 I81 L82N74-L78 VanDerWaalsContact O-CG 3.23Å; N74-L78 WeakPolarHBondContact O-CG 3.21Å; N74-L78 PolarHBondContact O-N 2.82Å; D75-L78 WeakPolarHBondContact O-CB 3.33Å; D75-L78 PolarHBondContact O-N 3.47Å; D75-L78 VanDerWaalsContact O-N 3.07Å; D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 3.27Å; L78-I81 PolarHBondContact O-N 2.92Å; L78-L82 PolarHBondContact O-N 3.21Å
79D90.2Very high79.9Confident96 Ų96108.9 Ų108.951%0.51357%0.565SS.*Hα-helixtrans-66.8-41.7175.5-86-10000112.1D75 D76 I81 L82 I83D75-D79 PolarHBondContact O-N 2.96Å; D76-D79 PolarHBondContact O-N 3.45Å; D79-I81 PolarHBondContact O-N 3.38Å; D79-L82 WeakPolarHBondContact O-CB 3.42Å; D79-L82 PolarHBondContact O-N 2.94Å; D79-L82 VanDerWaalsContact O-N 3.15Å; D79-I83 WeakPolarHBondContact O-CG1 3.49Å; D79-I83 PolarHBondContact O-N 3.46Å
80E92.9Very high82.6Confident110 Ų110108 Ų10851%0.51455%0.553SS.*Hα-helixtrans-61.5-43.9174.2-171.6175.1-168.800111.4D76 L82 I83 L84D76-E80 PolarHBondContact O-N 3.48Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 2.82Å; E80-I83 PolarHBondContact O-N 3.08Å; E80-L84 HydrophobicContact CG-CD1 4.03Å; E80-L84 HydrophobicContact CG-CG 4.4Å; E80-L84 WeakPolarHBondContact O-CB 3.22Å; E80-L84 VanDerWaalsContact O-CG 3.27Å; E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 3.48Å
81I92.3Very high85.1Confident78 Ų78108.2 Ų108.240%0.455%0.551SS.*Hα-helixtrans-59.3-40.5174.1-71.6164.3000110.9Y77 L78 D79 R85Y77-I81 WeakPolarHBondContact O-CB 3.43Å; Y77-I81 VanDerWaalsContact O-CD1 3.31Å; Y77-I81 WeakPolarHBondContact O-CD1 3.25Å; Y77-I81 WeakPolarHBondContact O-CG1 3.49Å; Y77-I81 PolarHBondContact O-N 3.07Å; L78-I81 PolarHBondContact O-N 2.92Å; D79-I81 PolarHBondContact O-N 3.38Å; I81-R85 WeakPolarHBondContact O-CB 3.27Å; I81-R85 VanDerWaalsContact O-CG 3.27Å; I81-R85 WeakPolarHBondContact O-CG 3.48Å; I81-R85 PolarHBondContact O-N 3.44Å
82L92.4Very high87.1Confident84 Ų84105.7 Ų105.744%0.4453%0.533SS..Hα-helixtrans-66.4-44178.4-173.168.7000111.8L78 D79 E80 R85 K86L78-L82 PolarHBondContact O-N 3.21Å; D79-L82 WeakPolarHBondContact O-CB 3.42Å; D79-L82 PolarHBondContact O-N 2.94Å; D79-L82 VanDerWaalsContact O-N 3.15Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 2.82Å; L82-R85 PolarHBondContact O-N 3.24Å; L82-K86 WeakPolarHBondContact O-CG 3.39Å; L82-K86 PolarHBondContact O-N 3.16Å
83I93.6Very high89.2Confident111 Ų111106.6 Ų106.657%0.56953%0.531SS*.Hα-helixtrans-62.8-46.1176.6-68166.8000110.4D79 E80 R85 K86 K87D79-I83 WeakPolarHBondContact O-CG1 3.49Å; D79-I83 PolarHBondContact O-N 3.46Å; E80-I83 PolarHBondContact O-N 3.08Å; I83-R85 PolarHBondContact O-N 3.13Å; I83-K86 WeakPolarHBondContact O-CB 3.46Å; I83-K86 PolarHBondContact O-N 2.87Å; I83-K87 PolarHBondContact O-N 3.34Å
84L96Very high91.1Very high89 Ų89106 Ų10647%0.46653%0.531SS..Hα-helixtrans-62.6-41.7177.8-71.8173.1000111.5E80 K86 K87 V88E80-L84 HydrophobicContact CG-CD1 4.03Å; E80-L84 HydrophobicContact CG-CG 4.4Å; E80-L84 WeakPolarHBondContact O-CB 3.22Å; E80-L84 VanDerWaalsContact O-CG 3.27Å; E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 3.48Å; L84-K86 PolarHBondContact O-N 3.25Å; L84-K87 PolarHBondContact O-N 3.08Å; L84-V88 WeakPolarHBondContact O-CB 3.46Å; L84-V88 VanDerWaalsContact O-CG2 3.28Å; L84-V88 WeakPolarHBondContact O-CG2 3.48Å; L84-V88 PolarHBondContact O-N 3.12Å
85R94.8Very high92.4Very high178 Ų178105.2 Ų105.267%0.67253%0.526SS*.Hα-helixtrans-59.9-42.7173.6-79.5176.7174.9174.71.4112.3I81 L82 I83 V88 A89I81-R85 WeakPolarHBondContact O-CB 3.27Å; I81-R85 VanDerWaalsContact O-CG 3.27Å; I81-R85 WeakPolarHBondContact O-CG 3.48Å; I81-R85 PolarHBondContact O-N 3.44Å; L82-R85 PolarHBondContact O-N 3.24Å; I83-R85 PolarHBondContact O-N 3.13Å; R85-V88 PolarHBondContact O-N 3.37Å; R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 3.31Å
86K95.4Very high93.4Very high130 Ų130107.2 Ų107.257%0.56553%0.53SS*.Hα-helixtrans-62.8-43.5174.7-73.7175.8-179.9173.80111.7L82 I83 L84 A89 L90L82-K86 WeakPolarHBondContact O-CG 3.39Å; L82-K86 PolarHBondContact O-N 3.16Å; I83-K86 WeakPolarHBondContact O-CB 3.46Å; I83-K86 PolarHBondContact O-N 2.87Å; L84-K86 PolarHBondContact O-N 3.25Å; K86-A89 PolarHBondContact O-N 3.49Å; K86-L90 PolarHBondContact O-N 2.87Å
87K95.5Very high94Very high131 Ų131106 Ų10657%0.5752%0.523SS*.Hα-helixtrans-64.1-42.5177.8-166.9173.4-176.8178.60111.9I83 L84 L90 L91I83-K87 PolarHBondContact O-N 3.34Å; L84-K87 PolarHBondContact O-N 3.08Å; K87-L90 PolarHBondContact O-N 3.29Å; K87-L91 HydrophobicContact CG-CD1 4.24Å; K87-L91 WeakPolarHBondContact O-CB 3.32Å; K87-L91 WeakPolarHBondContact O-CG 3.44Å; K87-L91 PolarHBondContact O-N 3.21Å
88V96Very high94.4Very high89 Ų89103.9 Ų103.954%0.53952%0.52SS..Hα-helixtrans-63.9-39.7175.2170.50000111.5L84 R85 S92L84-V88 WeakPolarHBondContact O-CB 3.46Å; L84-V88 VanDerWaalsContact O-CG2 3.28Å; L84-V88 WeakPolarHBondContact O-CG2 3.48Å; L84-V88 PolarHBondContact O-N 3.12Å; R85-V88 PolarHBondContact O-N 3.37Å; V88-S92 VanDerWaalsContact O-CB 3.22Å; V88-S92 WeakPolarHBondContact O-CB 3.43Å; V88-S92 PolarHBondContact O-N 2.96Å; V88-S92 PolarHBondContact O-OG 3.24Å
89A95.1Very high94.6Very high63 Ų63104 Ų10452%0.52152%0.521SS..Hα-helixtrans-64.9-42.7175.700000112.2R85 K86 S92 K93R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 3.31Å; K86-A89 PolarHBondContact O-N 3.49Å; A89-S92 PolarHBondContact O-N 3.12Å; A89-K93 PolarHBondContact O-N 2.89Å
90L95.1Very high94.7Very high107 Ų107101.8 Ų101.856%0.5652%0.517SS*.Hα-helixtrans-62.2-50.3174.7-92.2156.8000112.1K86 K87 S92 K93 Q94K86-L90 PolarHBondContact O-N 2.87Å; K87-L90 PolarHBondContact O-N 3.29Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 2.91Å; L90-K93 WeakPolarHBondContact O-CB 3.46Å; L90-K93 PolarHBondContact O-N 2.91Å; L90-K93 VanDerWaalsContact O-N 3.11Å; L90-Q94 PolarHBondContact O-N 3.39Å
91L96.8Very high94.8Very high86 Ų86102.5 Ų102.545%0.4552%0.52SS..Hα-helixtrans-62.2-37.5177.3-71.5172.4000111.6K87 K93 Q94 N95K87-L91 HydrophobicContact CG-CD1 4.24Å; K87-L91 WeakPolarHBondContact O-CB 3.32Å; K87-L91 WeakPolarHBondContact O-CG 3.44Å; K87-L91 PolarHBondContact O-N 3.21Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-K93 PolarHBondContact O-N 3.33Å; L91-Q94 PolarHBondContact O-N 3.28Å; L91-N95 WeakPolarHBondContact O-CB 3.25Å; L91-N95 PolarHBondContact O-N 2.83Å
92S95.2Very high94.7Very high57 Ų57101.4 Ų101.440%0.39952%0.518SS..Hα-helixtrans-64.9-36.3174.2-67.20000112.5V88 A89 L90 K96V88-S92 VanDerWaalsContact O-CB 3.22Å; V88-S92 WeakPolarHBondContact O-CB 3.43Å; V88-S92 PolarHBondContact O-N 2.96Å; V88-S92 PolarHBondContact O-OG 3.24Å; A89-S92 PolarHBondContact O-N 3.12Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 2.91Å; S92-K96 WeakPolarHBondContact O-CG 3.41Å; S92-K96 PolarHBondContact O-N 3.5Å
93K95Very high94.6Very high138 Ų138105.5 Ų105.560%0.653%0.528SS*.Hα-helixtrans-68.2-48.5174.3-172.8-177.5176.5-174.30111.1A89 L90 L91 N95 K96 D97A89-K93 PolarHBondContact O-N 2.89Å; L90-K93 WeakPolarHBondContact O-CB 3.46Å; L90-K93 PolarHBondContact O-N 2.91Å; L90-K93 VanDerWaalsContact O-N 3.11Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-K93 PolarHBondContact O-N 3.33Å; K93-N95 VanDerWaalsContact C-N 3.32Å; K93-N95 PolarHBondContact O-N 2.85Å; K93-K96 WeakPolarHBondContact O-CB 3.46Å; K93-K96 PolarHBondContact O-N 3.28Å; K93-D97 PolarHBondContact O-N 3.01Å
94Q95.2Very high94.4Very high105 Ų105105.1 Ų105.149%0.49153%0.526SS..Hα-helixtrans-58.5-42176.7-73.1178.1-26.400112.2L90 L91 K96 D97 I98L90-Q94 PolarHBondContact O-N 3.39Å; L91-Q94 PolarHBondContact O-N 3.28Å; Q94-K96 VanDerWaalsContact C-N 3.32Å; Q94-K96 PolarHBondContact O-N 3.45Å; Q94-D97 PolarHBondContact O-N 3.32Å; Q94-I98 WeakPolarHBondContact O-CG1 3.45Å; Q94-I98 PolarHBondContact O-N 2.92Å
95N95.4Very high94Very high98 Ų98106.6 Ų106.652%0.52453%0.534SS..Hα-helixtrans-62.2-36.4174.6-96.5-20.5000112.8L91 K93 N99L91-N95 WeakPolarHBondContact O-CB 3.25Å; L91-N95 PolarHBondContact O-N 2.83Å; K93-N95 VanDerWaalsContact C-N 3.32Å; K93-N95 PolarHBondContact O-N 2.85Å; N95-N99 VanDerWaalsContact O-CB 3.28Å; N95-N99 WeakPolarHBondContact O-CB 3.47Å; N95-N99 PolarHBondContact O-N 2.9Å; N95-N99 PolarHBondContact O-ND2 2.9Å
96K96.4Very high93.7Very high150 Ų150105.5 Ų105.565%0.65253%0.534SS*.Hα-helixtrans-66.2-41.9174.8-73.6173.3-177.3-179.10111.6S92 K93 Q94 N99 A100S92-K96 WeakPolarHBondContact O-CG 3.41Å; S92-K96 PolarHBondContact O-N 3.5Å; K93-K96 WeakPolarHBondContact O-CB 3.46Å; K93-K96 PolarHBondContact O-N 3.28Å; Q94-K96 VanDerWaalsContact C-N 3.32Å; Q94-K96 PolarHBondContact O-N 3.45Å; K96-N99 PolarHBondContact O-N 2.88Å; K96-A100 PolarHBondContact O-N 2.95Å
97D93.7Very high93.3Very high86 Ų86103.5 Ų103.546%0.4653%0.526SS..Hα-helixtrans-66.7-44.6179.4-66.4-19.6000111.7K93 Q94 N99 A100 Q101K93-D97 PolarHBondContact O-N 3.01Å; Q94-D97 PolarHBondContact O-N 3.32Å; D97-N99 PolarHBondContact O-N 2.88Å; D97-A100 WeakPolarHBondContact O-CB 3.33Å; D97-A100 PolarHBondContact O-N 2.94Å; D97-Q101 PolarHBondContact O-N 3.38Å
98I95.6Very high92.8Very high90 Ų90101.4 Ų101.446%0.46252%0.521SS..Hα-helixtrans-61-45174.6-69169.9000110.5Q94 A100 Q101 C102Q94-I98 WeakPolarHBondContact O-CG1 3.45Å; Q94-I98 PolarHBondContact O-N 2.92Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 3.47Å; I98-Q101 PolarHBondContact O-N 2.93Å; I98-C102 WeakPolarHBondContact O-CB 3.27Å; I98-C102 PolarHBondContact O-N 3.23Å; I98-C102 PolarHBondContact O-SG 3.28Å; I98-C102 VanDerWaalsContact O-SG 3.32Å
99N94.9Very high92Very high107 Ų107100.1 Ų100.157%0.57252%0.515SS*.Hα-helixtrans-61.3-35.4177.1-78.4-37000112.7N95 K96 D97 R103N95-N99 VanDerWaalsContact O-CB 3.28Å; N95-N99 WeakPolarHBondContact O-CB 3.47Å; N95-N99 PolarHBondContact O-N 2.9Å; N95-N99 PolarHBondContact O-ND2 2.9Å; K96-N99 PolarHBondContact O-N 2.88Å; D97-N99 PolarHBondContact O-N 2.88Å; N99-R103 PolarHBondContact O-N 3.25Å
100A92.4Very high91.3Very high51 Ų51100.7 Ų100.742%0.42151%0.512SS..Hα-helixtrans-67.1-43.6174.200000112K96 D97 I98 R103 I104K96-A100 PolarHBondContact O-N 2.95Å; D97-A100 WeakPolarHBondContact O-CB 3.33Å; D97-A100 PolarHBondContact O-N 2.94Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 3.47Å; A100-R103 WeakPolarHBondContact O-CB 3.36Å; A100-R103 PolarHBondContact O-N 3.37Å; A100-I104 WeakPolarHBondContact O-CG1 3.34Å; A100-I104 PolarHBondContact O-N 2.92Å; A100-I104 VanDerWaalsContact O-N 3.08Å
101Q93.2Very high90.5Very high124 Ų124102.1 Ų102.158%0.57951%0.513SS*.Hα-helixtrans-62.8-43.2174.4-68.5-177.716.900111.8D97 I98 R103 I104 L105D97-Q101 PolarHBondContact O-N 3.38Å; I98-Q101 PolarHBondContact O-N 2.93Å; Q101-R103 VanDerWaalsContact C-N 3.25Å; Q101-R103 PolarHBondContact O-N 3.18Å; Q101-I104 PolarHBondContact O-N 3.24Å; Q101-L105 WeakPolarHBondContact O-CB 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.44Å; Q101-L105 PolarHBondContact O-N 3.41Å
102C91.4Very high89.9Confident55 Ų55102 Ų10237%0.37252%0.516SS..Hα-helixtrans-60-35174.4-70.60000112.3I98 K106I98-C102 WeakPolarHBondContact O-CB 3.27Å; I98-C102 PolarHBondContact O-N 3.23Å; I98-C102 PolarHBondContact O-SG 3.28Å; I98-C102 VanDerWaalsContact O-SG 3.32Å; C102-K106 WeakPolarHBondContact O-CB 3.37Å; C102-K106 VanDerWaalsContact O-CG 3.24Å; C102-K106 WeakPolarHBondContact O-CG 3.45Å; C102-K106 PolarHBondContact O-N 3.45Å
103R90.3Very high89.3Confident171 Ų171104.8 Ų104.865%0.64552%0.523SS*.Hα-helixtrans-67.5-45.7175.1-173.6177.9175.5168.63.2111.8N99 A100 Q101 L105 K106 E107N99-R103 PolarHBondContact O-N 3.25Å; A100-R103 WeakPolarHBondContact O-CB 3.36Å; A100-R103 PolarHBondContact O-N 3.37Å; Q101-R103 VanDerWaalsContact C-N 3.25Å; Q101-R103 PolarHBondContact O-N 3.18Å; R103-L105 PolarHBondContact O-N 2.91Å; R103-K106 PolarHBondContact O-N 3.39Å; R103-E107 WeakPolarHBondContact CG-OE1 3.14Å; R103-E107 IonicContact CZ-OE1 2.9Å; R103-E107 IonicContact NE-OE1 2.87Å; R103-E107 PolarHBondContact NE-OE1 3.42Å; R103-E107 VanDerWaalsContact NE-OE1 3.1Å; R103-E107 IonicContact NH2-OE1 3.43Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.2Å
104I88.5Confident88.7Confident102 Ų102102.7 Ų102.752%0.52352%0.519SS..Hα-helixtrans-61.2-45.6176.8-65.3167.2000110.7A100 Q101 K106 E107 N108A100-I104 WeakPolarHBondContact O-CG1 3.34Å; A100-I104 PolarHBondContact O-N 2.92Å; A100-I104 VanDerWaalsContact O-N 3.08Å; Q101-I104 PolarHBondContact O-N 3.24Å; I104-K106 VanDerWaalsContact C-N 3.25Å; I104-K106 PolarHBondContact O-N 2.98Å; I104-E107 PolarHBondContact O-N 3.02Å; I104-N108 PolarHBondContact O-N 2.97Å
105L88.4Confident88Confident121 Ų12199.4 Ų99.463%0.63451%0.513SS*.Hα-helixtrans-68.6-20.1178.1-72.1174.5000113.5Q101 R103 P109Q101-L105 WeakPolarHBondContact O-CB 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.44Å; Q101-L105 PolarHBondContact O-N 3.41Å; R103-L105 PolarHBondContact O-N 2.91Å; L105-P109 WeakPolarHBondContact O-CD 3.23Å; L105-P109 WeakPolarHBondContact O-CG 3.49Å
106K87.5Confident87.3Confident155 Ų15599.6 Ų99.667%0.67451%0.513SS*.Hα-helixtrans-82.5-31.9170.1-77.4175.6179.5-175.50112.5C102 R103 I104 P109 V110C102-K106 WeakPolarHBondContact O-CB 3.37Å; C102-K106 VanDerWaalsContact O-CG 3.24Å; C102-K106 WeakPolarHBondContact O-CG 3.45Å; C102-K106 PolarHBondContact O-N 3.45Å; R103-K106 PolarHBondContact O-N 3.39Å; I104-K106 VanDerWaalsContact C-N 3.25Å; I104-K106 PolarHBondContact O-N 2.98Å; K106-P109 WeakPolarHBondContact O-CG 3.37Å; K106-V110 WeakPolarHBondContact O-CG2 3.32Å
107E87Confident86.5Confident87 Ų8795.3 Ų95.341%0.40750%0.5SS..Hα-helixtrans-81.4-31.3-179.5-70.3176.8-164.200113.4R103 I104 K111R103-E107 WeakPolarHBondContact CG-OE1 3.14Å; R103-E107 IonicContact CZ-OE1 2.9Å; R103-E107 IonicContact NE-OE1 2.87Å; R103-E107 PolarHBondContact NE-OE1 3.42Å; R103-E107 VanDerWaalsContact NE-OE1 3.1Å; R103-E107 IonicContact NH2-OE1 3.43Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.2Å; I104-E107 PolarHBondContact O-N 3.02Å; E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 2.63Å
108N85.1Confident85.8Confident87 Ų8795.2 Ų95.247%0.46550%0.497SS..Hα-helixtrans-63.8-48.8177.3-114.9-22.3000114.9I104 V110 K111 T112I104-N108 PolarHBondContact O-N 2.97Å; N108-V110 VanDerWaalsContact C-N 3.28Å; N108-V110 PolarHBondContact O-N 3.48Å; N108-K111 PolarHBondContact O-N 3.38Å; N108-K111 VanDerWaalsContact O-N 3.1Å; N108-T112 PolarHBondContact O-N 3.35Å; N108-T112 PolarHBondContact O-OG1 2.93Å
109P80.6Confident84.9Confident62 Ų6296.1 Ų96.140%0.40350%0.502SS..Hα-helixtrans-63-36-18023.5-33.3000111.4L105 K106 K111 T112 E113L105-P109 WeakPolarHBondContact O-CD 3.23Å; L105-P109 WeakPolarHBondContact O-CG 3.49Å; K106-P109 WeakPolarHBondContact O-CG 3.37Å; P109-K111 VanDerWaalsContact C-N 3.31Å; P109-K111 PolarHBondContact O-N 3.41Å; P109-T112 VanDerWaalsContact CA-OG1 3.3Å; P109-T112 WeakPolarHBondContact CA-OG1 3.3Å; P109-T112 PolarHBondContact O-N 2.83Å; P109-T112 PolarHBondContact O-OG1 3.33Å; P109-E113 WeakPolarHBondContact O-CB 3.45Å; P109-E113 PolarHBondContact O-N 3.37Å
110V79.2Confident84.1Confident75 Ų7596.1 Ų96.146%0.45551%0.506SS..Hα-helixtrans-63-36.9175.7178.30000111.5K106 N108 N114K106-V110 WeakPolarHBondContact O-CG2 3.32Å; N108-V110 VanDerWaalsContact C-N 3.28Å; N108-V110 PolarHBondContact O-N 3.48Å; V110-N114 VanDerWaalsContact O-CB 3.25Å; V110-N114 WeakPolarHBondContact O-CB 3.36Å; V110-N114 PolarHBondContact O-N 2.85Å; V110-N114 PolarHBondContact O-ND2 2.91Å
111K79.9Confident83.3Confident137 Ų13797.5 Ų97.560%0.59651%0.507SS*.Hα-helixtrans-70.2-42.1175.9-69.9174.2-172.5172.40112E107 N108 P109 G115E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 2.63Å; N108-K111 PolarHBondContact O-N 3.38Å; N108-K111 VanDerWaalsContact O-N 3.1Å; P109-K111 VanDerWaalsContact C-N 3.31Å; P109-K111 PolarHBondContact O-N 3.41Å; K111-G115 PolarHBondContact O-N 3.02Å
112T82.5Confident82.3Confident83 Ų8396.3 Ų96.351%0.50951%0.509SS..Hα-helixtrans-70.5-36.1177.452.20000112N108 P109 G115 L116N108-T112 PolarHBondContact O-N 3.35Å; N108-T112 PolarHBondContact O-OG1 2.93Å; P109-T112 VanDerWaalsContact CA-OG1 3.3Å; P109-T112 WeakPolarHBondContact CA-OG1 3.3Å; P109-T112 PolarHBondContact O-N 2.83Å; P109-T112 PolarHBondContact O-OG1 3.33Å; T112-G115 PolarHBondContact O-N 3.42Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.36Å; T112-L116 PolarHBondContact O-N 3.4Å
113E84.1Confident81.6Confident116 Ų11699.6 Ų99.654%0.54252%0.522SS..Hα-helixtrans-69.2-40175.6-174.2172.2-163.200110.8P109 G115 L116 T117P109-E113 WeakPolarHBondContact O-CB 3.45Å; P109-E113 PolarHBondContact O-N 3.37Å; E113-G115 PolarHBondContact O-N 3.16Å; E113-L116 PolarHBondContact O-N 3.27Å; E113-T117 HydrophobicContact CG-CG2 4.39Å; E113-T117 WeakPolarHBondContact O-CB 3.49Å; E113-T117 VanDerWaalsContact O-CG2 3.23Å; E113-T117 WeakPolarHBondContact O-CG2 3.41Å; E113-T117 PolarHBondContact O-N 2.84Å; E113-T117 PolarHBondContact O-OG1 3.2Å
114N81.5Confident80.6Confident95 Ų9594.7 Ų94.751%0.50851%0.506SS..Hα-helixtrans-61.1-43.7169.6-73.2-16.8000111.5V110 T117 M118V110-N114 VanDerWaalsContact O-CB 3.25Å; V110-N114 WeakPolarHBondContact O-CB 3.36Å; V110-N114 PolarHBondContact O-N 2.85Å; V110-N114 PolarHBondContact O-ND2 2.91Å; N114-T117 VanDerWaalsContact CA-OG1 3.29Å; N114-T117 WeakPolarHBondContact CA-OG1 3.45Å; N114-T117 PolarHBondContact O-N 3.14Å; N114-T117 PolarHBondContact O-OG1 3.07Å; N114-M118 VanDerWaalsContact O-CG 3.28Å; N114-M118 WeakPolarHBondContact O-CG 3.42Å; N114-M118 PolarHBondContact O-N 3.49Å
115G81.3Confident79.6Confident35 Ų3591 Ų9136%0.36149%0.49SS..Hα-helixtrans-64.2-40.5175.800000113.5K111 T112 E113 L119K111-G115 PolarHBondContact O-N 3.02Å; T112-G115 PolarHBondContact O-N 3.42Å; E113-G115 PolarHBondContact O-N 3.16Å; G115-L119 PolarHBondContact O-N 3.46Å
116L80.6Confident78.5Confident103 Ų10387.4 Ų87.454%0.53948%0.475SS..Hα-helixtrans-69.3-42.3176.7-77.6167.3000111.7T112 E113 M118 L119 V120T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.36Å; T112-L116 PolarHBondContact O-N 3.4Å; E113-L116 PolarHBondContact O-N 3.27Å; L116-M118 VanDerWaalsContact C-N 3.3Å; L116-M118 PolarHBondContact O-N 3.01Å; L116-L119 CarbonylContact O-C 3.53Å; L116-L119 PolarHBondContact O-N 2.99Å; L116-V120 WeakPolarHBondContact O-CB 3.5Å; L116-V120 VanDerWaalsContact O-CG2 3.23Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 3.5Å
117T79.4Confident77.6Confident60 Ų6085.6 Ų85.637%0.36847%0.467SS..Hα-helixtrans-63-3717649.50000111.5E113 N114 L119 V120 N121E113-T117 HydrophobicContact CG-CG2 4.39Å; E113-T117 WeakPolarHBondContact O-CB 3.49Å; E113-T117 VanDerWaalsContact O-CG2 3.23Å; E113-T117 WeakPolarHBondContact O-CG2 3.41Å; E113-T117 PolarHBondContact O-N 2.84Å; E113-T117 PolarHBondContact O-OG1 3.2Å; N114-T117 VanDerWaalsContact CA-OG1 3.29Å; N114-T117 WeakPolarHBondContact CA-OG1 3.45Å; N114-T117 PolarHBondContact O-N 3.14Å; N114-T117 PolarHBondContact O-OG1 3.07Å; T117-L119 VanDerWaalsContact C-N 3.33Å; T117-L119 PolarHBondContact O-N 2.89Å; T117-V120 PolarHBondContact O-N 2.85Å; T117-N121 WeakPolarHBondContact O-CB 3.33Å; T117-N121 VanDerWaalsContact O-CG 3.22Å; T117-N121 PolarHBondContact O-N 3Å; T117-N121 PolarHBondContact O-ND2 3.14Å; T117-N121 VanDerWaalsContact O-ND2 3.08Å
118M78.8Confident76.6Confident83 Ų8384.8 Ų84.841%0.40946%0.464SS..Hα-helixtrans-62.7-35.9170.8-68.6-159.475.300113.1N114 L116 E124 S125 I128N114-M118 VanDerWaalsContact O-CG 3.28Å; N114-M118 WeakPolarHBondContact O-CG 3.42Å; N114-M118 PolarHBondContact O-N 3.49Å; L116-M118 VanDerWaalsContact C-N 3.3Å; L116-M118 PolarHBondContact O-N 3.01Å; M118-E124 WeakPolarHBondContact CE-OE2 3.36Å; M118-E124 VanDerWaalsContact CG-OE2 3.28Å; M118-E124 WeakPolarHBondContact CG-OE2 3.49Å; M118-E124 WeakPolarHBondContact O-CB 3.46Å; M118-S125 PolarHBondContact O-N 3.22Å; M118-I128 HydrophobicContact CB-CD1 4.24Å; M118-I128 HydrophobicContact CE-CD1 4.44Å
119L75.8Confident75.6Confident109 Ų10984.7 Ų84.757%0.57146%0.464SS*.Hα-helixtrans-78.4-34.7178.3-78.6163.2000113G115 L116 T117 S125G115-L119 PolarHBondContact O-N 3.46Å; L116-L119 CarbonylContact O-C 3.53Å; L116-L119 PolarHBondContact O-N 2.99Å; T117-L119 VanDerWaalsContact C-N 3.33Å; T117-L119 PolarHBondContact O-N 2.89Å; L119-S125 VanDerWaalsContact O-CB 3.29Å; L119-S125 WeakPolarHBondContact O-CB 3.32Å
120V78.7Confident74.6Confident108 Ų10888 Ų8866%0.65547%0.474SS*.Hα-helixtrans-79.9-33.4-178.8173.90000111.1L116 T117 P122L116-V120 WeakPolarHBondContact O-CB 3.5Å; L116-V120 VanDerWaalsContact O-CG2 3.23Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 3.5Å; T117-V120 PolarHBondContact O-N 2.85Å; V120-P122 WeakPolarHBondContact O-CD 3.42Å
121N75.3Confident73.6Confident80 Ų8090.8 Ų90.843%0.42849%0.487SS..SBendtrans-66.4113.1175.3-81.1-34.5000110.3T117 I123 E124 S125T117-N121 WeakPolarHBondContact O-CB 3.33Å; T117-N121 VanDerWaalsContact O-CG 3.22Å; T117-N121 PolarHBondContact O-N 3Å; T117-N121 PolarHBondContact O-ND2 3.14Å; T117-N121 VanDerWaalsContact O-ND2 3.08Å; N121-I123 PolarHBondContact O-N 3.23Å; N121-I123 VanDerWaalsContact O-N 3.09Å; N121-E124 HydrophobicContact CB-CB 4.14Å; N121-E124 HydrophobicContact CB-CG 4.24Å; N121-E124 PolarHBondContact O-N 3.32Å; N121-E124 VanDerWaalsContact O-N 3.08Å; N121-S125 WeakPolarHBondContact O-CB 3.41Å; N121-S125 PolarHBondContact O-N 3.48Å; N121-S125 PolarHBondContact O-OG 2.69Å
122P72.9Confident72.4Confident98 Ų9886.6 Ų86.664%0.63648%0.478SS*.Hα-helixtrans-59.3-30.3-174.9-22.933.2000113.2V120 S125 S126V120-P122 WeakPolarHBondContact O-CD 3.42Å; P122-S125 WeakPolarHBondContact CA-OG 3.31Å; P122-S125 PolarHBondContact O-OG 3.41Å; P122-S126 VanDerWaalsContact O-CB 3.27Å; P122-S126 WeakPolarHBondContact O-CB 3.15Å; P122-S126 PolarHBondContact O-N 3.21Å
123I75.8Confident70.8Confident124 Ų12483.6 Ų83.664%0.63646%0.463SS*.Hα-helixtrans-72.7-44.7179.4-59.7172.3000110.4N121 S126 K127N121-I123 PolarHBondContact O-N 3.23Å; N121-I123 VanDerWaalsContact O-N 3.09Å; I123-S126 PolarHBondContact O-N 2.81Å; I123-S126 PolarHBondContact O-OG 3.3Å; I123-K127 WeakPolarHBondContact O-CG 3.48Å; I123-K127 PolarHBondContact O-N 3.2Å
124E70.3Confident69.2Low68 Ų6882.7 Ų82.732%0.31847%0.468SS..Hα-helixtrans-77.3-37.3-179.5-62.3-149.9150.500112.1M118 N121 S126 K127 I128M118-E124 WeakPolarHBondContact CE-OE2 3.36Å; M118-E124 VanDerWaalsContact CG-OE2 3.28Å; M118-E124 WeakPolarHBondContact CG-OE2 3.49Å; M118-E124 WeakPolarHBondContact O-CB 3.46Å; N121-E124 HydrophobicContact CB-CB 4.14Å; N121-E124 HydrophobicContact CB-CG 4.24Å; N121-E124 PolarHBondContact O-N 3.32Å; N121-E124 VanDerWaalsContact O-N 3.08Å; E124-S126 PolarHBondContact O-N 3.07Å; E124-K127 WeakPolarHBondContact O-CB 3.37Å; E124-K127 PolarHBondContact O-N 3.01Å; E124-I128 WeakPolarHBondContact O-CG1 3.44Å; E124-I128 PolarHBondContact O-N 3.39Å
125S66.2Low67.7Low25 Ų2582.9 Ų82.918%0.17548%0.476CS..Hα-helixtrans-62.1-34.7171.1740000111.2M118 L119 N121 P122 I128 N129M118-S125 PolarHBondContact O-N 3.22Å; L119-S125 VanDerWaalsContact O-CB 3.29Å; L119-S125 WeakPolarHBondContact O-CB 3.32Å; N121-S125 WeakPolarHBondContact O-CB 3.41Å; N121-S125 PolarHBondContact O-N 3.48Å; N121-S125 PolarHBondContact O-OG 2.69Å; P122-S125 WeakPolarHBondContact CA-OG 3.31Å; P122-S125 PolarHBondContact O-OG 3.41Å; S125-I128 PolarHBondContact O-N 3.13Å; S125-N129 WeakPolarHBondContact O-CB 3.31Å; S125-N129 PolarHBondContact O-N 3.32Å; S125-N129 PolarHBondContact O-ND2 3.34Å
126S66.4Low66.3Low45 Ų4586.9 Ų86.932%0.31548%0.483SS..Hα-helixtrans-63.4-39170.785.10000112.4P122 I123 E124 N129 Q130P122-S126 VanDerWaalsContact O-CB 3.27Å; P122-S126 WeakPolarHBondContact O-CB 3.15Å; P122-S126 PolarHBondContact O-N 3.21Å; I123-S126 PolarHBondContact O-N 2.81Å; I123-S126 PolarHBondContact O-OG 3.3Å; E124-S126 PolarHBondContact O-N 3.07Å; S126-N129 CarbonylContact O-C 3.57Å; S126-N129 PolarHBondContact O-N 3.15Å; S126-Q130 VanDerWaalsContact O-CB 3.26Å; S126-Q130 WeakPolarHBondContact O-CB 3.49Å; S126-Q130 WeakPolarHBondContact O-CG 3.42Å; S126-Q130 PolarHBondContact O-N 3.41Å
127K68.6Low65Low118 Ų11889.6 Ų89.651%0.51349%0.493SS..Hα-helixtrans-67.8-40.6176.8-68.2173.7-176.6174.80111.9I123 E124 N129 Q130 N131I123-K127 WeakPolarHBondContact O-CG 3.48Å; I123-K127 PolarHBondContact O-N 3.2Å; E124-K127 WeakPolarHBondContact O-CB 3.37Å; E124-K127 PolarHBondContact O-N 3.01Å; K127-N129 VanDerWaalsContact C-N 3.34Å; K127-Q130 PolarHBondContact O-N 3.01Å; K127-N131 WeakPolarHBondContact O-CB 3.47Å; K127-N131 PolarHBondContact O-N 3.07Å
128I66Low63.9Low69 Ų6991.1 Ų91.135%0.35450%0.499SS..Hα-helixtrans-63.3-44.4173.8-63.9166000109.7M118 E124 S125 Q130 N131 A132M118-I128 HydrophobicContact CB-CD1 4.24Å; M118-I128 HydrophobicContact CE-CD1 4.44Å; E124-I128 WeakPolarHBondContact O-CG1 3.44Å; E124-I128 PolarHBondContact O-N 3.39Å; S125-I128 PolarHBondContact O-N 3.13Å; I128-Q130 VanDerWaalsContact C-N 3.34Å; I128-Q130 PolarHBondContact O-N 2.9Å; I128-N131 PolarHBondContact O-N 3.49Å; I128-A132 WeakPolarHBondContact O-CB 3.39Å; I128-A132 PolarHBondContact O-N 3.48Å
129N63.6Low63.5Low86 Ų8689.7 Ų89.746%0.4650%0.497SS..Hα-helixtrans-69.3-27.2177.3-76.2-41.1000113.7S125 S126 K127 G133S125-N129 WeakPolarHBondContact O-CB 3.31Å; S125-N129 PolarHBondContact O-N 3.32Å; S125-N129 PolarHBondContact O-ND2 3.34Å; S126-N129 CarbonylContact O-C 3.57Å; S126-N129 PolarHBondContact O-N 3.15Å; K127-N129 VanDerWaalsContact C-N 3.34Å; N129-G133 VanDerWaalsContact O-CA 3.31Å; N129-G133 WeakPolarHBondContact O-CA 3.34Å; N129-G133 PolarHBondContact O-N 3.24Å
130Q60.6Low63.7Low131 Ų13188.3 Ų88.361%0.61250%0.495SS*.Hα-helixtrans-77.8-40.8174.4-80.417715.500111.5S126 K127 I128 A132 G133 C134S126-Q130 VanDerWaalsContact O-CB 3.26Å; S126-Q130 WeakPolarHBondContact O-CB 3.49Å; S126-Q130 WeakPolarHBondContact O-CG 3.42Å; S126-Q130 PolarHBondContact O-N 3.41Å; K127-Q130 PolarHBondContact O-N 3.01Å; I128-Q130 VanDerWaalsContact C-N 3.34Å; I128-Q130 PolarHBondContact O-N 2.9Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-G133 CarbonylContact O-C 3.5Å; Q130-G133 WeakPolarHBondContact O-CA 3.25Å; Q130-G133 PolarHBondContact O-N 3.48Å; Q130-C134 PolarHBondContact O-N 2.89Å
131N57.7Low64Low134 Ų13488 Ų8872%0.71749%0.486SS*.Hα-helixtrans-67.5-36.7173.8-74.1-4.8000111.5K127 I128 G133K127-N131 WeakPolarHBondContact O-CB 3.47Å; K127-N131 PolarHBondContact O-N 3.07Å; I128-N131 PolarHBondContact O-N 3.49Å; N131-G133 VanDerWaalsContact C-N 3.26Å
132A54.6Low64.5Low49 Ų4988.3 Ų88.341%0.40549%0.488SS..G310 helixtrans-70.7-23.4165.800000112.6I128 Q130 C134 C135I128-A132 WeakPolarHBondContact O-CB 3.39Å; I128-A132 PolarHBondContact O-N 3.48Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; A132-C134 VanDerWaalsContact C-N 3.29Å; A132-C134 PolarHBondContact O-N 3.03Å; A132-C135 WeakPolarHBondContact O-CB 3.46Å; A132-C135 PolarHBondContact O-N 3.47Å; A132-C135 VanDerWaalsContact O-N 3.14Å
133G49.2Very low65.2Low19 Ų1987.4 Ų87.420%0.19648%0.477CS..G310 helixtrans-68.4-21.7177.800000114.2N129 Q130 N131 C135 K136 Q137N129-G133 VanDerWaalsContact O-CA 3.31Å; N129-G133 WeakPolarHBondContact O-CA 3.34Å; N129-G133 PolarHBondContact O-N 3.24Å; Q130-G133 CarbonylContact O-C 3.5Å; Q130-G133 WeakPolarHBondContact O-CA 3.25Å; Q130-G133 PolarHBondContact O-N 3.48Å; N131-G133 VanDerWaalsContact C-N 3.26Å; G133-C135 PolarHBondContact O-N 3.44Å; G133-K136 WeakPolarHBondContact O-CA 3.4Å; G133-K136 WeakPolarHBondContact O-CB 3.44Å; G133-K136 PolarHBondContact O-N 2.88Å; G133-Q137 PolarHBondContact O-N 3.13Å
134C49.9Very low66Low98 Ų9888.2 Ų88.266%0.66247%0.472SS*.G310 helixtrans-67.5-21.4170.7-157.20000112.2Q130 A132Q130-C134 PolarHBondContact O-N 2.89Å; A132-C134 VanDerWaalsContact C-N 3.29Å; A132-C134 PolarHBondContact O-N 3.03Å
135C50.1Low67.1Low98 Ų9888 Ų8866%0.66247%0.473SS*.THydrogen-bonded Turntrans-85.5-16.9166.9-66.20000113.2A132 G133 S139A132-C135 WeakPolarHBondContact O-CB 3.46Å; A132-C135 PolarHBondContact O-N 3.47Å; A132-C135 VanDerWaalsContact O-N 3.14Å; G133-C135 PolarHBondContact O-N 3.44Å; C135-S139 PolarHBondContact O-N 2.76Å
136K52.8Low68.5Low120 Ų12092.1 Ų92.152%0.52249%0.492SS..THydrogen-bonded Turntrans-80.4-19.2-177.8-65.8-178.9-175.31730113.8G133 P140G133-K136 WeakPolarHBondContact O-CA 3.4Å; G133-K136 WeakPolarHBondContact O-CB 3.44Å; G133-K136 PolarHBondContact O-N 2.88Å; K136-P140 WeakPolarHBondContact O-CD 3.38Å
137Q53.2Low69.9Low159 Ų15996.1 Ų96.174%0.74351%0.505SS*.THydrogen-bonded Turntrans-74.1-36.3174.7-70.8-171.5-20.200112.5G133 S139G133-Q137 PolarHBondContact O-N 3.13Å; Q137-S139 VanDerWaalsContact C-N 3.34Å
138N55.9Low71.2Confident93 Ų9394.8 Ų94.850%0.49750%0.501SS..Hα-helixtrans-78.5-19.4173.6-62.9-34.4000112.7N142N138-N142 WeakPolarHBondContact O-CB 3.34Å; N138-N142 PolarHBondContact O-N 3.46Å; N138-N142 PolarHBondContact O-ND2 2.82Å; N138-N142 VanDerWaalsContact O-ND2 3.12Å
139S69.1Low72.7Confident52 Ų5298.1 Ų98.136%0.36451%0.513SS..Hα-helixtrans-62.1-54.6-176.3-172.90000114C135 Q137 E141 N142 I143C135-S139 PolarHBondContact O-N 2.76Å; Q137-S139 VanDerWaalsContact C-N 3.34Å; S139-E141 VanDerWaalsContact C-N 3.33Å; S139-E141 PolarHBondContact O-N 2.8Å; S139-N142 PolarHBondContact O-N 3.49Å; S139-I143 WeakPolarHBondContact O-CB 3.37Å; S139-I143 WeakPolarHBondContact O-CD1 3.43Å; S139-I143 WeakPolarHBondContact O-CG1 3.39Å; S139-I143 PolarHBondContact O-N 3.02Å
140P80.7Confident74.3Confident81 Ų81100.1 Ų100.153%0.52652%0.518SS..Hα-helixtrans-67.5-33.6-179.227.9-34.9000112.2K136 R144K136-P140 WeakPolarHBondContact O-CD 3.38Å; P140-R144 WeakPolarHBondContact O-CB 3.32Å; P140-R144 PolarHBondContact O-N 3.41Å
141E84.4Confident76Confident102 Ų10299.6 Ų99.648%0.47751%0.514SS..Hα-helixtrans-68.5-44.4175.6-173.8169.3-163.600111.7S139 I143 R144 L145S139-E141 VanDerWaalsContact C-N 3.33Å; S139-E141 PolarHBondContact O-N 2.8Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 3.03Å; E141-R144 WeakPolarHBondContact O-CB 3.48Å; E141-R144 PolarHBondContact O-N 3.32Å; E141-L145 HydrophobicContact CG-CD1 4.31Å; E141-L145 WeakPolarHBondContact O-CG 3.33Å; E141-L145 PolarHBondContact O-N 3.17Å
142N86.5Confident77.9Confident86 Ų8699.1 Ų99.146%0.4651%0.505SS..Hα-helixtrans-62.8-41.1174.3-73.1-21.6000111.6N138 S139 R144 L145 L146N138-N142 WeakPolarHBondContact O-CB 3.34Å; N138-N142 PolarHBondContact O-N 3.46Å; N138-N142 PolarHBondContact O-ND2 2.82Å; N138-N142 VanDerWaalsContact O-ND2 3.12Å; S139-N142 PolarHBondContact O-N 3.49Å; N142-R144 VanDerWaalsContact C-N 3.35Å; N142-L145 PolarHBondContact O-N 3.21Å; N142-L146 VanDerWaalsContact O-CB 3.32Å; N142-L146 WeakPolarHBondContact O-CB 3.47Å; N142-L146 VanDerWaalsContact O-CG 3.29Å; N142-L146 WeakPolarHBondContact O-CG 3.36Å; N142-L146 PolarHBondContact O-N 3.18Å
143I88.5Confident80Confident78 Ų78102 Ų10240%0.451%0.514SS..Hα-helixtrans-60.9-45.1174.2-69.3162.8000110S139 E141 L146 H147S139-I143 WeakPolarHBondContact O-CB 3.37Å; S139-I143 WeakPolarHBondContact O-CD1 3.43Å; S139-I143 WeakPolarHBondContact O-CG1 3.39Å; S139-I143 PolarHBondContact O-N 3.02Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 3.03Å; I143-L146 PolarHBondContact O-N 2.77Å; I143-H147 WeakPolarHBondContact O-CB 3.46Å; I143-H147 VanDerWaalsContact O-CG 3.31Å; I143-H147 PolarHBondContact O-N 2.91Å
144R91.6Very high82.3Confident141 Ų141105.1 Ų105.153%0.53252%0.523SS..Hα-helixtrans-62.6-43.4176.9-171.1-174.669.189.60.5112.3P140 E141 N142 H147 Q148P140-R144 WeakPolarHBondContact O-CB 3.32Å; P140-R144 PolarHBondContact O-N 3.41Å; E141-R144 WeakPolarHBondContact O-CB 3.48Å; E141-R144 PolarHBondContact O-N 3.32Å; N142-R144 VanDerWaalsContact C-N 3.35Å; R144-H147 PolarHBondContact O-N 3.44Å; R144-Q148 WeakPolarHBondContact O-CB 3.36Å; R144-Q148 PolarHBondContact O-N 3.5Å
145L92.8Very high84.5Confident64 Ų64103.3 Ų103.334%0.33551%0.507SS..Hα-helixtrans-65.1-39.9176.2-72.9171000111.7E141 N142 Q148 K149E141-L145 HydrophobicContact CG-CD1 4.31Å; E141-L145 WeakPolarHBondContact O-CG 3.33Å; E141-L145 PolarHBondContact O-N 3.17Å; N142-L145 PolarHBondContact O-N 3.21Å; L145-Q148 PolarHBondContact O-N 3.29Å; L145-K149 WeakPolarHBondContact O-CG 3.27Å; L145-K149 PolarHBondContact O-N 2.7Å
146L95.3Very high86.8Confident112 Ų112104.4 Ų104.459%0.58650%0.502SS*.Hα-helixtrans-64.3-45.2174-78.5166.1000111.3N142 I143 Q148 K149 F150N142-L146 VanDerWaalsContact O-CB 3.32Å; N142-L146 WeakPolarHBondContact O-CB 3.47Å; N142-L146 VanDerWaalsContact O-CG 3.29Å; N142-L146 WeakPolarHBondContact O-CG 3.36Å; N142-L146 PolarHBondContact O-N 3.18Å; I143-L146 PolarHBondContact O-N 2.77Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.34Å; L146-K149 PolarHBondContact O-N 3.4Å; L146-F150 VanDerWaalsContact O-CB 3.3Å; L146-F150 WeakPolarHBondContact O-CB 3.26Å; L146-F150 PolarHBondContact O-N 2.97Å
147H95.8Very high88.9Confident128 Ų128103.5 Ų103.559%0.59350%0.502SS*.Hα-helixtrans-59.3-42.7173.8-74.2178.9000111.8I143 R144 F150 F151I143-H147 WeakPolarHBondContact O-CB 3.46Å; I143-H147 VanDerWaalsContact O-CG 3.31Å; I143-H147 PolarHBondContact O-N 2.91Å; R144-H147 PolarHBondContact O-N 3.44Å; H147-F150 PolarHBondContact O-N 3.4Å; H147-F151 WeakPolarHBondContact O-CB 3.41Å; H147-F151 PolarHBondContact O-N 3.25Å
148Q96.5Very high91.1Very high91 Ų91100.3 Ų100.343%0.42549%0.488SS..Hα-helixtrans-63.8-42.3176.6-170.6-175.619.600112R144 L145 L146 K152R144-Q148 WeakPolarHBondContact O-CB 3.36Å; R144-Q148 PolarHBondContact O-N 3.5Å; L145-Q148 PolarHBondContact O-N 3.29Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.34Å; Q148-K152 WeakPolarHBondContact O-CG 3.46Å; Q148-K152 PolarHBondContact O-N 3.03Å
149K97.5Very high93Very high139 Ų139100.5 Ų100.560%0.60449%0.488SS*.Hα-helixtrans-65.4-44.1175.7-75.4179.7179.7-177.70111.6L145 L146 K152 L153L145-K149 WeakPolarHBondContact O-CG 3.27Å; L145-K149 PolarHBondContact O-N 2.7Å; L146-K149 PolarHBondContact O-N 3.4Å; K149-K152 PolarHBondContact O-N 3.32Å; K149-L153 WeakPolarHBondContact O-CG 3.41Å; K149-L153 PolarHBondContact O-N 2.86Å
150F97Very high94.4Very high127 Ų127104.2 Ų104.256%0.55750%0.498SS*.Hα-helixtrans-58.5-48.2176.5-178.7-94.8000111.1L146 H147 K152 L153 Q154L146-F150 VanDerWaalsContact O-CB 3.3Å; L146-F150 WeakPolarHBondContact O-CB 3.26Å; L146-F150 PolarHBondContact O-N 2.97Å; H147-F150 PolarHBondContact O-N 3.4Å; F150-K152 PolarHBondContact O-N 3.48Å; F150-L153 PolarHBondContact O-N 3.35Å; F150-Q154 WeakPolarHBondContact O-CB 3.23Å; F150-Q154 PolarHBondContact O-N 3.45Å
151F97.6Very high95.2Very high121 Ų121102.6 Ų102.653%0.53149%0.485SS..Hα-helixtrans-61.9-41177.5-173.5-103.6000112.8H147 Q154 N155H147-F151 WeakPolarHBondContact O-CB 3.41Å; H147-F151 PolarHBondContact O-N 3.25Å; F151-Q154 PolarHBondContact O-N 3.46Å; F151-N155 WeakPolarHBondContact CE1-ND2 3.32Å; F151-N155 PolarHBondContact O-N 3.36Å
152K97.4Very high95.8Very high123 Ų123101 Ų10154%0.53549%0.485SS..Hα-helixtrans-62.2-44.8174.2-75.9179178.7-176.10112.2Q148 K149 F150 Q154 N155 Q156Q148-K152 WeakPolarHBondContact O-CG 3.46Å; Q148-K152 PolarHBondContact O-N 3.03Å; K149-K152 PolarHBondContact O-N 3.32Å; F150-K152 PolarHBondContact O-N 3.48Å; K152-Q154 VanDerWaalsContact C-N 3.35Å; K152-N155 PolarHBondContact O-N 2.93Å; K152-Q156 WeakPolarHBondContact O-CG 3.49Å; K152-Q156 PolarHBondContact O-N 3.35Å
153L98.2Very high96.4Very high111 Ų111102 Ų10258%0.58149%0.487SS*.Hα-helixtrans-65.5-38.8177.7-73.3171000111.7K149 F150 Q156 L157K149-L153 WeakPolarHBondContact O-CG 3.41Å; K149-L153 PolarHBondContact O-N 2.86Å; F150-L153 PolarHBondContact O-N 3.35Å; L153-Q156 PolarHBondContact O-N 2.77Å; L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 PolarHBondContact O-N 3.03Å
154Q97.3Very high96.8Very high84 Ų84105.2 Ų105.239%0.39350%0.495SS..Hα-helixtrans-61.1-47.4175.5-175.3178.210.300111.6F150 F151 K152 L157 Q158F150-Q154 WeakPolarHBondContact O-CB 3.23Å; F150-Q154 PolarHBondContact O-N 3.45Å; F151-Q154 PolarHBondContact O-N 3.46Å; K152-Q154 VanDerWaalsContact C-N 3.35Å; Q154-L157 PolarHBondContact O-N 3.46Å; Q154-Q158 PolarHBondContact O-N 2.92Å
155N97.2Very high97.1Very high60 Ų60102.7 Ų102.732%0.32149%0.492SS..Hα-helixtrans-62.8-43.4176.5-69.5-17.5000111.8F151 K152 L157 Q158 D159F151-N155 WeakPolarHBondContact CE1-ND2 3.32Å; F151-N155 PolarHBondContact O-N 3.36Å; K152-N155 PolarHBondContact O-N 2.93Å; N155-L157 VanDerWaalsContact C-N 3.29Å; N155-L157 PolarHBondContact O-N 3.25Å; N155-Q158 PolarHBondContact O-N 3.27Å; N155-D159 PolarHBondContact O-N 3.31Å
156Q97.7Very high97.3Very high121 Ų121108.1 Ų108.157%0.56551%0.508SS*.Hα-helixtrans-60.5-39.4175.7-75.3179.4-13.800112.3K152 L153 D159 K160K152-Q156 WeakPolarHBondContact O-CG 3.49Å; K152-Q156 PolarHBondContact O-N 3.35Å; L153-Q156 PolarHBondContact O-N 2.77Å; Q156-D159 PolarHBondContact O-N 3.39Å; Q156-K160 WeakPolarHBondContact O-CB 3.39Å; Q156-K160 VanDerWaalsContact O-CG 3.23Å; Q156-K160 WeakPolarHBondContact O-CG 3.43Å; Q156-K160 PolarHBondContact O-N 3.09Å
157L97.7Very high97.4Very high100 Ų100107.4 Ų107.452%0.52450%0.504SS..Hα-helixtrans-65.3-43.6176.4-173.865.9000111.2L153 Q154 N155 D159 K160 D161L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 PolarHBondContact O-N 3.03Å; Q154-L157 PolarHBondContact O-N 3.46Å; N155-L157 VanDerWaalsContact C-N 3.29Å; N155-L157 PolarHBondContact O-N 3.25Å; L157-D159 PolarHBondContact O-N 3.39Å; L157-K160 PolarHBondContact O-N 2.82Å; L157-D161 WeakPolarHBondContact O-CB 3.31Å; L157-D161 PolarHBondContact O-N 3.38Å
158Q97.8Very high97.5Very high93 Ų93103.1 Ų103.144%0.43549%0.487SS..Hα-helixtrans-62.4-41.4176.6-174.7178.6-8.200112.4Q154 N155 K160 D161 S162Q154-Q158 PolarHBondContact O-N 2.92Å; N155-Q158 PolarHBondContact O-N 3.27Å; Q158-K160 VanDerWaalsContact C-N 3.35Å; Q158-D161 PolarHBondContact O-N 2.96Å; Q158-S162 WeakPolarHBondContact O-CB 3.41Å; Q158-S162 PolarHBondContact O-N 2.89Å; Q158-S162 PolarHBondContact O-OG 3.49Å
159D97.3Very high97.5Very high96 Ų96103 Ų10351%0.51349%0.493SS..Hα-helixtrans-63.9-40.6174.8-73.2-20.4000111.5N155 Q156 L157 S162 Q163N155-D159 PolarHBondContact O-N 3.31Å; Q156-D159 PolarHBondContact O-N 3.39Å; L157-D159 PolarHBondContact O-N 3.39Å; D159-S162 PolarHBondContact O-N 3.43Å; D159-Q163 WeakPolarHBondContact O-CG 3.36Å; D159-Q163 PolarHBondContact O-N 3.46Å
160K97.8Very high97.5Very high131 Ų131100.3 Ų100.357%0.5749%0.485SS*.Hα-helixtrans-69.9-39.9177.7-71.7-67.3177.5-1730112.7Q156 L157 Q158 S162 Q163 Y164Q156-K160 WeakPolarHBondContact O-CB 3.39Å; Q156-K160 VanDerWaalsContact O-CG 3.23Å; Q156-K160 WeakPolarHBondContact O-CG 3.43Å; Q156-K160 PolarHBondContact O-N 3.09Å; L157-K160 PolarHBondContact O-N 2.82Å; Q158-K160 VanDerWaalsContact C-N 3.35Å; K160-S162 VanDerWaalsContact C-N 3.3Å; K160-S162 PolarHBondContact O-N 2.93Å; K160-Q163 PolarHBondContact O-N 2.74Å; K160-Y164 WeakPolarHBondContact O-CB 3.41Å; K160-Y164 PolarHBondContact O-N 2.91Å
161D97.9Very high97.5Very high47 Ų47100.1 Ų100.125%0.25149%0.487SS..Hα-helixtrans-61.1-41.1172.2-78.9-32000110.8L157 Q158 Y164 N165 K490L157-D161 WeakPolarHBondContact O-CB 3.31Å; L157-D161 PolarHBondContact O-N 3.38Å; Q158-D161 PolarHBondContact O-N 2.96Å; D161-Y164 PolarHBondContact O-N 3.33Å; D161-N165 WeakPolarHBondContact O-CB 3.34Å; D161-N165 VanDerWaalsContact O-CG 3.28Å; D161-N165 PolarHBondContact O-N 2.93Å; D161-N165 PolarHBondContact O-ND2 3.45Å; D161-K490 IonicContact OD1-NZ 2.72Å; D161-K490 PolarHBondContact OD1-NZ 3.4Å; D161-K490 WeakPolarHBondContact OD2-CE 3.45Å; D161-K490 IonicContact OD2-NZ 3.9Å; D161-K490 PolarHBondContact OD2-NZ 3.08Å
162S97.1Very high97.5Very high67 Ų67101.3 Ų101.347%0.46949%0.492SS..Hα-helixtrans-65-41.8176.7-58.50000112.5Q158 D159 K160 R166Q158-S162 WeakPolarHBondContact O-CB 3.41Å; Q158-S162 PolarHBondContact O-N 2.89Å; Q158-S162 PolarHBondContact O-OG 3.49Å; D159-S162 PolarHBondContact O-N 3.43Å; K160-S162 VanDerWaalsContact C-N 3.3Å; K160-S162 PolarHBondContact O-N 2.93Å; S162-R166 PolarHBondContact O-N 2.98Å; S162-R166 VanDerWaalsContact O-N 3.1Å
163Q97.5Very high97.5Very high108 Ų108102.1 Ų102.151%0.50550%0.496SS..Hα-helixtrans-64.1-42.5173.9-75.117149.500112D159 K160 R166 L167D159-Q163 WeakPolarHBondContact O-CG 3.36Å; D159-Q163 PolarHBondContact O-N 3.46Å; K160-Q163 PolarHBondContact O-N 2.74Å; Q163-R166 PolarHBondContact O-N 3.27Å; Q163-L167 PolarHBondContact O-N 3.33Å
164Y98.1Very high97.4Very high146 Ų146100 Ų10057%0.57349%0.487SS*.Hα-helixtrans-61.5-47.1176.7175.8-96.5000111.6K160 D161 R166 L167 V168K160-Y164 WeakPolarHBondContact O-CB 3.41Å; K160-Y164 PolarHBondContact O-N 2.91Å; D161-Y164 PolarHBondContact O-N 3.33Å; Y164-R166 VanDerWaalsContact C-N 3.3Å; Y164-R166 PolarHBondContact O-N 3.13Å; Y164-L167 PolarHBondContact O-N 3.01Å; Y164-V168 HydrophobicContact CD1-CG2 4.1Å; Y164-V168 HydrophobicContact CD2-CG2 4.45Å; Y164-V168 HydrophobicContact CE1-CG2 3.68Å; Y164-V168 HydrophobicContact CE2-CG2 4.06Å; Y164-V168 HydrophobicContact CG-CG2 4.48Å; Y164-V168 WeakPolarHBondContact O-CG2 3.36Å; Y164-V168 PolarHBondContact O-N 2.95Å
165N97.5Very high97.4Very high87 Ų87101.9 Ų101.947%0.46549%0.491SS..Hα-helixtrans-61.7-37.9178-71.6-27000112.4D161 T169D161-N165 WeakPolarHBondContact O-CB 3.34Å; D161-N165 VanDerWaalsContact O-CG 3.28Å; D161-N165 PolarHBondContact O-N 2.93Å; D161-N165 PolarHBondContact O-ND2 3.45Å; N165-T169 PolarHBondContact O-N 3.04Å; N165-T169 VanDerWaalsContact O-N 3.08Å; N165-T169 PolarHBondContact O-OG1 2.89Å
166R97.1Very high97.4Very high179 Ų179103.7 Ų103.768%0.67550%0.504SS*.Hα-helixtrans-62.4-50.4173-172.7-178.8-61.8-110.3-1.2111.1S162 Q163 Y164 V168 T169 D170S162-R166 PolarHBondContact O-N 2.98Å; S162-R166 VanDerWaalsContact O-N 3.1Å; Q163-R166 PolarHBondContact O-N 3.27Å; Y164-R166 VanDerWaalsContact C-N 3.3Å; Y164-R166 PolarHBondContact O-N 3.13Å; R166-V168 VanDerWaalsContact C-N 3.33Å; R166-V168 PolarHBondContact O-N 3.46Å; R166-T169 WeakPolarHBondContact O-CA 3.34Å; R166-T169 WeakPolarHBondContact O-CB 3.35Å; R166-T169 PolarHBondContact O-N 3.32Å; R166-D170 PolarHBondContact O-N 2.94Å
167L98Very high97.4Very high96 Ų96101.2 Ų101.250%0.50349%0.492SS..Hα-helixtrans-58.2-43.4177.9179.662.8000112.2Q163 Y164 T169 D170 M171Q163-L167 PolarHBondContact O-N 3.33Å; Y164-L167 PolarHBondContact O-N 3.01Å; L167-T169 VanDerWaalsContact C-N 3.26Å; L167-T169 PolarHBondContact O-N 3.46Å; L167-D170 PolarHBondContact O-N 3.43Å; L167-M171 HydrophobicContact CD1-CG 4.32Å; L167-M171 HydrophobicContact CG-SD 4.33Å; L167-M171 WeakPolarHBondContact O-CB 3.42Å; L167-M171 VanDerWaalsContact O-CG 3.3Å; L167-M171 WeakPolarHBondContact O-CG 3.39Å; L167-M171 PolarHBondContact O-N 3.28Å
168V97.5Very high97.3Very high38 Ų38100.8 Ų100.823%0.2349%0.488CS..Hα-helixtrans-60.8-39176.3169.80000111.1Y164 R166 K172Y164-V168 HydrophobicContact CD1-CG2 4.1Å; Y164-V168 HydrophobicContact CD2-CG2 4.45Å; Y164-V168 HydrophobicContact CE1-CG2 3.68Å; Y164-V168 HydrophobicContact CE2-CG2 4.06Å; Y164-V168 HydrophobicContact CG-CG2 4.48Å; Y164-V168 WeakPolarHBondContact O-CG2 3.36Å; Y164-V168 PolarHBondContact O-N 2.95Å; R166-V168 VanDerWaalsContact C-N 3.33Å; R166-V168 PolarHBondContact O-N 3.46Å; V168-K172 HydrophobicContact CG1-CD 4.42Å; V168-K172 WeakPolarHBondContact O-CG 3.3Å; V168-K172 PolarHBondContact O-N 3.46Å; V168-K172 VanDerWaalsContact O-N 3.11Å
169T97.3Very high97.3Very high89 Ų89100 Ų10055%0.54649%0.487SS..Hα-helixtrans-68.2-45.8176.8-54.80000111.2N165 R166 L167 M171 K172 F173N165-T169 PolarHBondContact O-N 3.04Å; N165-T169 VanDerWaalsContact O-N 3.08Å; N165-T169 PolarHBondContact O-OG1 2.89Å; R166-T169 WeakPolarHBondContact O-CA 3.34Å; R166-T169 WeakPolarHBondContact O-CB 3.35Å; R166-T169 PolarHBondContact O-N 3.32Å; L167-T169 VanDerWaalsContact C-N 3.26Å; L167-T169 PolarHBondContact O-N 3.46Å; T169-M171 VanDerWaalsContact C-N 3.32Å; T169-M171 PolarHBondContact O-N 2.91Å; T169-K172 PolarHBondContact O-N 3.4Å; T169-F173 WeakPolarHBondContact O-CB 3.41Å; T169-F173 PolarHBondContact O-N 2.92Å
170D97.4Very high97.3Very high83 Ų83100.9 Ų100.944%0.44448%0.483SS..Hα-helixtrans-62.4-38.9178.1-66-18.3000111.7R166 L167 F173 T174R166-D170 PolarHBondContact O-N 2.94Å; L167-D170 PolarHBondContact O-N 3.43Å; D170-F173 PolarHBondContact O-N 3.41Å; D170-T174 WeakPolarHBondContact O-CB 3.31Å; D170-T174 PolarHBondContact O-N 2.9Å; D170-T174 PolarHBondContact O-OG1 3.32Å
171M96.8Very high97.3Very high123 Ų12397.8 Ų97.861%0.60647%0.474SS*.Hα-helixtrans-65-43.7174.8-76.1-17768.100112.2L167 T169 F173 T174 R175L167-M171 HydrophobicContact CD1-CG 4.32Å; L167-M171 HydrophobicContact CG-SD 4.33Å; L167-M171 WeakPolarHBondContact O-CB 3.42Å; L167-M171 VanDerWaalsContact O-CG 3.3Å; L167-M171 WeakPolarHBondContact O-CG 3.39Å; L167-M171 PolarHBondContact O-N 3.28Å; T169-M171 VanDerWaalsContact C-N 3.32Å; T169-M171 PolarHBondContact O-N 2.91Å; M171-F173 VanDerWaalsContact C-N 3.35Å; M171-T174 PolarHBondContact O-N 3.46Å; M171-R175 WeakPolarHBondContact O-CB 3.42Å; M171-R175 PolarHBondContact O-N 2.93Å
172K97.2Very high97.3Very high146 Ų146100.8 Ų100.864%0.63549%0.487SS*.Hα-helixtrans-62.2-44.5175.2-75174.7-179.6-179.70111.1V168 T169 R175 V176V168-K172 HydrophobicContact CG1-CD 4.42Å; V168-K172 WeakPolarHBondContact O-CG 3.3Å; V168-K172 PolarHBondContact O-N 3.46Å; V168-K172 VanDerWaalsContact O-N 3.11Å; T169-K172 PolarHBondContact O-N 3.4Å; K172-R175 PolarHBondContact O-N 2.94Å; K172-V176 WeakPolarHBondContact O-CG2 3.32Å; K172-V176 PolarHBondContact O-N 3.23Å
173F96.8Very high97.4Very high139 Ų139102.4 Ų102.461%0.6149%0.49SS*.Hα-helixtrans-60.2-50.9176.5177.2-96000111.5T169 D170 M171 R175 V176 E177T169-F173 WeakPolarHBondContact O-CB 3.41Å; T169-F173 PolarHBondContact O-N 2.92Å; D170-F173 PolarHBondContact O-N 3.41Å; M171-F173 VanDerWaalsContact C-N 3.35Å; F173-R175 VanDerWaalsContact C-N 3.29Å; F173-R175 PolarHBondContact O-N 3.42Å; F173-V176 PolarHBondContact O-N 3.45Å; F173-V176 VanDerWaalsContact O-N 3.17Å; F173-E177 PolarHBondContact O-N 2.91Å
174T96.5Very high97.4Very high66 Ų66102.6 Ų102.641%0.40549%0.49SS..Hα-helixtrans-57.3-43.3178-56.40000111.1D170 M171 V176 E177 E178D170-T174 WeakPolarHBondContact O-CB 3.31Å; D170-T174 PolarHBondContact O-N 2.9Å; D170-T174 PolarHBondContact O-OG1 3.32Å; M171-T174 PolarHBondContact O-N 3.46Å; T174-V176 PolarHBondContact O-N 3.44Å; T174-E177 PolarHBondContact O-N 2.67Å; T174-E178 HydrophobicContact CG2-CG 4.42Å; T174-E178 WeakPolarHBondContact O-CB 3.23Å; T174-E178 WeakPolarHBondContact O-CG 3.42Å; T174-E178 PolarHBondContact O-N 3.39Å
175R96.8Very high97.3Very high124 Ų12499.8 Ų99.847%0.46849%0.489SS..Hα-helixtrans-64-41.1179-177.757.3-178.41513.4112.9M171 K172 F173 E177 E178 L179M171-R175 WeakPolarHBondContact O-CB 3.42Å; M171-R175 PolarHBondContact O-N 2.93Å; K172-R175 PolarHBondContact O-N 2.94Å; F173-R175 VanDerWaalsContact C-N 3.29Å; F173-R175 PolarHBondContact O-N 3.42Å; R175-E177 VanDerWaalsContact C-N 3.35Å; R175-E178 IonicContact NH1-OE2 3.55Å; R175-E178 PolarHBondContact NH1-OE2 3.44Å; R175-L179 HydrophobicContact CG-CD1 4.43Å; R175-L179 WeakPolarHBondContact O-CG 3.48Å; R175-L179 PolarHBondContact O-N 2.95Å; R175-L179 VanDerWaalsContact O-N 3.14Å
176V97.3Very high97.3Very high98 Ų9898 Ų9859%0.59449%0.486SS*.Hα-helixtrans-65-42.5175.91700000110.3K172 F173 T174 L179 R180K172-V176 WeakPolarHBondContact O-CG2 3.32Å; K172-V176 PolarHBondContact O-N 3.23Å; F173-V176 PolarHBondContact O-N 3.45Å; F173-V176 VanDerWaalsContact O-N 3.17Å; T174-V176 PolarHBondContact O-N 3.44Å; V176-L179 PolarHBondContact O-N 3.45Å; V176-R180 WeakPolarHBondContact O-CB 3.45Å; V176-R180 PolarHBondContact O-N 2.82Å
177E97.2Very high97.4Very high69 Ų6995.6 Ų95.632%0.32248%0.481SS..Hα-helixtrans-66.7-41.5179.6-173.357.9-162.800112.4F173 T174 R175 L179 R180 V181F173-E177 PolarHBondContact O-N 2.91Å; T174-E177 PolarHBondContact O-N 2.67Å; R175-E177 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.09Å; E177-R180 VanDerWaalsContact CD-NE 3.32Å; E177-R180 WeakPolarHBondContact O-CB 3.37Å; E177-R180 PolarHBondContact O-N 2.73Å; E177-R180 IonicContact OE1-CZ 3.03Å; E177-R180 VanDerWaalsContact OE1-CZ 3.29Å; E177-R180 IonicContact OE1-NE 3.1Å; E177-R180 PolarHBondContact OE1-NE 2.95Å; E177-R180 VanDerWaalsContact OE1-NE 3.09Å; E177-R180 IonicContact OE1-NH2 3.87Å; E177-R180 PolarHBondContact OE1-NH2 2.9Å; E177-R180 IonicContact OE2-CZ 3.68Å; E177-R180 IonicContact OE2-NE 3.97Å; E177-R180 PolarHBondContact OE2-NE 3.33Å; E177-R180 IonicContact OE2-NH2 3.73Å; E177-V181 WeakPolarHBondContact O-CG2 3.35Å; E177-V181 PolarHBondContact O-N 3.43Å
178E96.3Very high97.4Very high91 Ų9193.9 Ų93.943%0.42548%0.481SS..Hα-helixtrans-57.7-46.1171.8-75.7173.4-178.500112T174 R175 R180 V181 Q182T174-E178 HydrophobicContact CG2-CG 4.42Å; T174-E178 WeakPolarHBondContact O-CB 3.23Å; T174-E178 WeakPolarHBondContact O-CG 3.42Å; T174-E178 PolarHBondContact O-N 3.39Å; R175-E178 IonicContact NH1-OE2 3.55Å; R175-E178 PolarHBondContact NH1-OE2 3.44Å; E178-R180 VanDerWaalsContact C-N 3.34Å; E178-V181 PolarHBondContact O-N 2.93Å; E178-Q182 WeakPolarHBondContact O-CB 3.36Å; E178-Q182 VanDerWaalsContact O-CG 3.26Å; E178-Q182 WeakPolarHBondContact O-CG 3.47Å; E178-Q182 PolarHBondContact O-N 2.94Å
179L98.1Very high97.4Very high78 Ų7895.9 Ų95.941%0.40849%0.487SS..Hα-helixtrans-65.7-37.4177.7-73.9172000111.9R175 V176 E177 Q182 L183R175-L179 HydrophobicContact CG-CD1 4.43Å; R175-L179 WeakPolarHBondContact O-CG 3.48Å; R175-L179 PolarHBondContact O-N 2.95Å; R175-L179 VanDerWaalsContact O-N 3.14Å; V176-L179 PolarHBondContact O-N 3.45Å; E177-L179 PolarHBondContact O-N 3.09Å; L179-Q182 PolarHBondContact O-N 3.39Å; L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 PolarHBondContact O-N 3.33Å
180R97.9Very high97.4Very high114 Ų11495.6 Ų95.643%0.4348%0.482SS..Hα-helixtrans-61.1-48.8175.2-169-164.869.266.52.5110.9V176 E177 E178 L183 E184V176-R180 WeakPolarHBondContact O-CB 3.45Å; V176-R180 PolarHBondContact O-N 2.82Å; E177-R180 VanDerWaalsContact CD-NE 3.32Å; E177-R180 WeakPolarHBondContact O-CB 3.37Å; E177-R180 PolarHBondContact O-N 2.73Å; E177-R180 IonicContact OE1-CZ 3.03Å; E177-R180 VanDerWaalsContact OE1-CZ 3.29Å; E177-R180 IonicContact OE1-NE 3.1Å; E177-R180 PolarHBondContact OE1-NE 2.95Å; E177-R180 VanDerWaalsContact OE1-NE 3.09Å; E177-R180 IonicContact OE1-NH2 3.87Å; E177-R180 PolarHBondContact OE1-NH2 2.9Å; E177-R180 IonicContact OE2-CZ 3.68Å; E177-R180 IonicContact OE2-NE 3.97Å; E177-R180 PolarHBondContact OE2-NE 3.33Å; E177-R180 IonicContact OE2-NH2 3.73Å; E178-R180 VanDerWaalsContact C-N 3.34Å; R180-L183 PolarHBondContact O-N 3.47Å; R180-E184 IonicContact CZ-OE2 3.29Å; R180-E184 IonicContact NH1-OE2 3.55Å; R180-E184 PolarHBondContact NH1-OE2 3.46Å; R180-E184 IonicContact NH2-OE2 2.67Å; R180-E184 WeakPolarHBondContact O-CB 3.42Å; R180-E184 PolarHBondContact O-N 3.26Å
181V97.4Very high97.3Very high65 Ų6598.7 Ų98.739%0.39449%0.491SS..Hα-helixtrans-63.8-41.4177.6172.80000111.4E177 E178 E184 T185E177-V181 WeakPolarHBondContact O-CG2 3.35Å; E177-V181 PolarHBondContact O-N 3.43Å; E178-V181 PolarHBondContact O-N 2.93Å; V181-E184 PolarHBondContact O-N 2.94Å; V181-T185 WeakPolarHBondContact O-CB 3.33Å; V181-T185 PolarHBondContact O-N 3.05Å; V181-T185 PolarHBondContact O-OG1 2.75Å
182Q97.9Very high97.4Very high111 Ų11198.1 Ų98.152%0.51948%0.482SS..Hα-helixtrans-60.8-44.6175.4-75.4174.73.700111.8E178 L179 T185 A186E178-Q182 WeakPolarHBondContact O-CB 3.36Å; E178-Q182 VanDerWaalsContact O-CG 3.26Å; E178-Q182 WeakPolarHBondContact O-CG 3.47Å; E178-Q182 PolarHBondContact O-N 2.94Å; L179-Q182 PolarHBondContact O-N 3.39Å; Q182-T185 PolarHBondContact O-N 3.17Å; Q182-A186 WeakPolarHBondContact O-CB 3.42Å; Q182-A186 PolarHBondContact O-N 2.84Å
183L97.9Very high97.3Very high100 Ų10094.7 Ų94.752%0.52447%0.47SS..Hα-helixtrans-65.9-43.9178.3-175.862.4000111.9L179 R180 T185 A186 F187L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 PolarHBondContact O-N 3.33Å; R180-L183 PolarHBondContact O-N 3.47Å; L183-T185 VanDerWaalsContact C-N 3.32Å; L183-T185 PolarHBondContact O-N 3.14Å; L183-A186 PolarHBondContact O-N 3.42Å; L183-F187 HydrophobicContact CD1-CD2 3.8Å; L183-F187 HydrophobicContact CD1-CE2 3.37Å; L183-F187 HydrophobicContact CD1-CZ 4.14Å; L183-F187 HydrophobicContact CD2-CE2 3.98Å; L183-F187 HydrophobicContact CG-CD2 3.71Å; L183-F187 HydrophobicContact CG-CE2 3.5Å; L183-F187 VanDerWaalsContact CG-CE2 3.5Å; L183-F187 VanDerWaalsContact O-CD2 3.23Å; L183-F187 WeakPolarHBondContact O-CD2 3.33Å; L183-F187 PolarHBondContact O-N 2.86Å
184E97.7Very high97.3Very high112 Ų11295.1 Ų95.152%0.52347%0.472SS..Hα-helixtrans-59.1-44175.1-175.6172.6-172.100111.3R180 V181 F187 A188R180-E184 IonicContact CZ-OE2 3.29Å; R180-E184 IonicContact NH1-OE2 3.55Å; R180-E184 PolarHBondContact NH1-OE2 3.46Å; R180-E184 IonicContact NH2-OE2 2.67Å; R180-E184 WeakPolarHBondContact O-CB 3.42Å; R180-E184 PolarHBondContact O-N 3.26Å; V181-E184 PolarHBondContact O-N 2.94Å; E184-F187 PolarHBondContact O-N 2.9Å; E184-A188 WeakPolarHBondContact O-CB 3.47Å; E184-A188 PolarHBondContact O-N 2.98Å
185T97.6Very high97.2Very high88 Ų8897.8 Ų97.854%0.5448%0.48SS..Hα-helixtrans-64-43.5176.4-54.50000111.6V181 Q182 L183 A188 E189V181-T185 WeakPolarHBondContact O-CB 3.33Å; V181-T185 PolarHBondContact O-N 3.05Å; V181-T185 PolarHBondContact O-OG1 2.75Å; Q182-T185 PolarHBondContact O-N 3.17Å; L183-T185 VanDerWaalsContact C-N 3.32Å; L183-T185 PolarHBondContact O-N 3.14Å; T185-A188 PolarHBondContact O-N 2.88Å; T185-E189 WeakPolarHBondContact O-CB 3.4Å; T185-E189 PolarHBondContact O-N 3.32Å
186A97.3Very high97Very high49 Ų4995.8 Ų95.841%0.40548%0.476SS..Hα-helixtrans-64.1-42.8177.500000112Q182 L183 E189 I190Q182-A186 WeakPolarHBondContact O-CB 3.42Å; Q182-A186 PolarHBondContact O-N 2.84Å; L183-A186 PolarHBondContact O-N 3.42Å; A186-E189 PolarHBondContact O-N 2.99Å; A186-I190 VanDerWaalsContact O-CG1 3.27Å; A186-I190 WeakPolarHBondContact O-CG1 3.38Å; A186-I190 PolarHBondContact O-N 3.3Å
187F98Very high96.7Very high128 Ų12896.4 Ų96.456%0.56148%0.476SS*.Hα-helixtrans-65.2-40.9175.5-82.7-60.2000112.6L183 E184 E189 I190 K191L183-F187 HydrophobicContact CD1-CD2 3.8Å; L183-F187 HydrophobicContact CD1-CE2 3.37Å; L183-F187 HydrophobicContact CD1-CZ 4.14Å; L183-F187 HydrophobicContact CD2-CE2 3.98Å; L183-F187 HydrophobicContact CG-CD2 3.71Å; L183-F187 HydrophobicContact CG-CE2 3.5Å; L183-F187 VanDerWaalsContact CG-CE2 3.5Å; L183-F187 VanDerWaalsContact O-CD2 3.23Å; L183-F187 WeakPolarHBondContact O-CD2 3.33Å; L183-F187 PolarHBondContact O-N 2.86Å; E184-F187 PolarHBondContact O-N 2.9Å; F187-E189 VanDerWaalsContact C-N 3.32Å; F187-E189 PolarHBondContact O-N 3.41Å; F187-I190 PolarHBondContact O-N 3.29Å; F187-K191 WeakPolarHBondContact O-CB 3.16Å; F187-K191 PolarHBondContact O-N 3.43Å
188A97.6Very high96.4Very high61 Ų6198.8 Ų98.850%0.50449%0.487SS..Hα-helixtrans-61-41.9174.700000111.4E184 T185 K191 R192E184-A188 WeakPolarHBondContact O-CB 3.47Å; E184-A188 PolarHBondContact O-N 2.98Å; T185-A188 PolarHBondContact O-N 2.88Å; A188-K191 PolarHBondContact O-N 3.31Å; A188-R192 WeakPolarHBondContact O-CB 3.39Å; A188-R192 PolarHBondContact O-N 3.21Å
189E97.7Very high96.1Very high79 Ų7998.5 Ų98.537%0.36949%0.487SS..Hα-helixtrans-68.4-41.4177.3-178.658.5-16900112.3T185 A186 F187 K191 R192 L193T185-E189 WeakPolarHBondContact O-CB 3.4Å; T185-E189 PolarHBondContact O-N 3.32Å; A186-E189 PolarHBondContact O-N 2.99Å; F187-E189 VanDerWaalsContact C-N 3.32Å; F187-E189 PolarHBondContact O-N 3.41Å; E189-K191 VanDerWaalsContact C-N 3.29Å; E189-K191 PolarHBondContact O-N 3.38Å; E189-R192 PolarHBondContact O-N 2.92Å; E189-R192 IonicContact OE1-CZ 3.43Å; E189-R192 IonicContact OE1-NE 3.34Å; E189-R192 PolarHBondContact OE1-NE 3.22Å; E189-R192 IonicContact OE1-NH2 2.7Å; E189-R192 PolarHBondContact OE1-NH2 3.35Å; E189-R192 IonicContact OE2-CZ 3.66Å; E189-R192 IonicContact OE2-NE 2.77Å; E189-R192 PolarHBondContact OE2-NE 3.36Å; E189-R192 IonicContact OE2-NH2 3.7Å; E189-L193 HydrophobicContact CG-CD1 4.04Å; E189-L193 HydrophobicContact CG-CG 4.37Å; E189-L193 WeakPolarHBondContact O-CB 3.5Å; E189-L193 VanDerWaalsContact O-CG 3.32Å; E189-L193 WeakPolarHBondContact O-CG 3.38Å; E189-L193 PolarHBondContact O-N 2.95Å
190I97.2Very high95.6Very high83 Ų8398.8 Ų98.843%0.42649%0.489SS..Hα-helixtrans-58.5-43.8172.8-70.7165000110.4A186 F187 L193 K194A186-I190 VanDerWaalsContact O-CG1 3.27Å; A186-I190 WeakPolarHBondContact O-CG1 3.38Å; A186-I190 PolarHBondContact O-N 3.3Å; F187-I190 PolarHBondContact O-N 3.29Å; I190-L193 PolarHBondContact O-N 3.1Å; I190-K194 HydrophobicContact CG2-CD 4.32Å; I190-K194 WeakPolarHBondContact O-CB 3.38Å; I190-K194 WeakPolarHBondContact O-CG 3.44Å; I190-K194 PolarHBondContact O-N 3.2Å
191K97Very high95Very high148 Ų14897 Ų9764%0.64349%0.493SS*.Hα-helixtrans-62-47.6177-172.9-178.1178.4-174.80111F187 A188 E189 L193 K194 E195F187-K191 WeakPolarHBondContact O-CB 3.16Å; F187-K191 PolarHBondContact O-N 3.43Å; A188-K191 PolarHBondContact O-N 3.31Å; E189-K191 VanDerWaalsContact C-N 3.29Å; E189-K191 PolarHBondContact O-N 3.38Å; K191-L193 PolarHBondContact O-N 2.88Å; K191-K194 PolarHBondContact O-N 3.36Å; K191-E195 PolarHBondContact O-N 2.92Å
192R97.2Very high94.4Very high111 Ų11197.1 Ų97.142%0.41949%0.492SS..Hα-helixtrans-58.6-44.9176.6-167.5-161.469.470.71.3111.9A188 E189 E195 Q196A188-R192 WeakPolarHBondContact O-CB 3.39Å; A188-R192 PolarHBondContact O-N 3.21Å; E189-R192 PolarHBondContact O-N 2.92Å; E189-R192 IonicContact OE1-CZ 3.43Å; E189-R192 IonicContact OE1-NE 3.34Å; E189-R192 PolarHBondContact OE1-NE 3.22Å; E189-R192 IonicContact OE1-NH2 2.7Å; E189-R192 PolarHBondContact OE1-NH2 3.35Å; E189-R192 IonicContact OE2-CZ 3.66Å; E189-R192 IonicContact OE2-NE 2.77Å; E189-R192 PolarHBondContact OE2-NE 3.36Å; E189-R192 IonicContact OE2-NH2 3.7Å; R192-E195 PolarHBondContact O-N 3Å; R192-Q196 WeakPolarHBondContact O-CB 3.38Å; R192-Q196 PolarHBondContact O-N 3.11Å
193L96.8Very high93.6Very high74 Ų7495.8 Ų95.839%0.38749%0.486SS..Hα-helixtrans-66.7-37.8178-74172000112.4E189 I190 K191 Q196 N197E189-L193 HydrophobicContact CG-CD1 4.04Å; E189-L193 HydrophobicContact CG-CG 4.37Å; E189-L193 WeakPolarHBondContact O-CB 3.5Å; E189-L193 VanDerWaalsContact O-CG 3.32Å; E189-L193 WeakPolarHBondContact O-CG 3.38Å; E189-L193 PolarHBondContact O-N 2.95Å; I190-L193 PolarHBondContact O-N 3.1Å; K191-L193 PolarHBondContact O-N 2.88Å; L193-Q196 PolarHBondContact O-N 2.87Å; L193-N197 WeakPolarHBondContact O-CB 2.93Å; L193-N197 PolarHBondContact O-N 2.87Å
194K95.7Very high92.4Very high148 Ų14895.2 Ų95.264%0.64349%0.489SS*.Hα-helixtrans-63-44.4173.6-78.4-178176.7-1750111.7I190 K191 N197 H198I190-K194 HydrophobicContact CG2-CD 4.32Å; I190-K194 WeakPolarHBondContact O-CB 3.38Å; I190-K194 WeakPolarHBondContact O-CG 3.44Å; I190-K194 PolarHBondContact O-N 3.2Å; K191-K194 PolarHBondContact O-N 3.36Å; K194-N197 PolarHBondContact O-N 3.38Å; K194-H198 PolarHBondContact O-N 3.08Å
195E94.1Very high90.9Very high122 Ų12293.8 Ų93.857%0.5749%0.492SS*.Hα-helixtrans-64.5-43.7176.8-172.8165-176.800111.5K191 R192 N197 H198 I199K191-E195 PolarHBondContact O-N 2.92Å; R192-E195 PolarHBondContact O-N 3Å; E195-N197 PolarHBondContact O-N 3.04Å; E195-H198 WeakPolarHBondContact O-CB 3.49Å; E195-H198 PolarHBondContact O-N 2.89Å; E195-I199 HydrophobicContact CG-CD1 4.35Å; E195-I199 WeakPolarHBondContact O-CG1 3.42Å; E195-I199 PolarHBondContact O-N 2.94Å
196Q93Very high89.2Confident83 Ų8396.6 Ų96.639%0.38850%0.499SS..Hα-helixtrans-61-42.1173.6-174.7177.8-3.100112.2R192 L193 I199 L200R192-Q196 WeakPolarHBondContact O-CB 3.38Å; R192-Q196 PolarHBondContact O-N 3.11Å; L193-Q196 PolarHBondContact O-N 2.87Å; Q196-I199 PolarHBondContact O-N 3.41Å; Q196-L200 HydrophobicContact CG-CD1 4.17Å; Q196-L200 VanDerWaalsContact O-CG 3.31Å; Q196-L200 WeakPolarHBondContact O-CG 3.29Å; Q196-L200 PolarHBondContact O-N 3.3Å
197N91.9Very high87.3Confident110 Ų110101.7 Ų101.759%0.58851%0.512SS*.Hα-helixtrans-63.7-40.2175.7-105.4-45.9000112.2L193 K194 E195 L200 S201L193-N197 WeakPolarHBondContact O-CB 2.93Å; L193-N197 PolarHBondContact O-N 2.87Å; K194-N197 PolarHBondContact O-N 3.38Å; E195-N197 PolarHBondContact O-N 3.04Å; N197-L200 PolarHBondContact O-N 2.88Å; N197-S201 VanDerWaalsContact O-CB 3.25Å; N197-S201 WeakPolarHBondContact O-CB 3.32Å; N197-S201 PolarHBondContact O-N 2.97Å
198H90.2Very high85.2Confident120 Ų120105.2 Ų105.256%0.55653%0.527SS*.Hα-helixtrans-59.3-49.7174.8-170.1-67.4000110.8K194 E195 L200 S201 D202K194-H198 PolarHBondContact O-N 3.08Å; E195-H198 WeakPolarHBondContact O-CB 3.49Å; E195-H198 PolarHBondContact O-N 2.89Å; H198-L200 VanDerWaalsContact C-N 3.32Å; H198-L200 PolarHBondContact O-N 3.4Å; H198-S201 WeakPolarHBondContact O-CB 3.13Å; H198-S201 PolarHBondContact O-N 3.29Å; H198-D202 IonicContact CE1-OD1 3.97Å; H198-D202 IonicContact CE1-OD2 3.95Å; H198-D202 PolarHBondContact CE1-OD2 3.44Å; H198-D202 IonicContact ND1-OD1 3.78Å; H198-D202 IonicContact ND1-OD2 2.77Å; H198-D202 PolarHBondContact ND1-OD2 3.36Å; H198-D202 VanDerWaalsContact O-CG 3.24Å; H198-D202 PolarHBondContact O-N 3.33Å
199I90.9Very high83.2Confident84 Ų84105.5 Ų105.543%0.43154%0.536SS..Hα-helixtrans-58.9-42.5177.7-65.2164.5000111.5E195 Q196 Q203E195-I199 HydrophobicContact CG-CD1 4.35Å; E195-I199 WeakPolarHBondContact O-CG1 3.42Å; E195-I199 PolarHBondContact O-N 2.94Å; Q196-I199 PolarHBondContact O-N 3.41Å; I199-Q203 VanDerWaalsContact O-CG 3.31Å; I199-Q203 WeakPolarHBondContact O-CG 3.38Å; I199-Q203 PolarHBondContact O-N 3.01Å; I199-Q203 VanDerWaalsContact O-N 3.13Å
200L87.1Confident81Confident84 Ų84110.3 Ų110.344%0.4456%0.558SS.*Hα-helixtrans-69.5-38.1178-70.7173.5000112.2Q196 N197 H198 Q203 C204Q196-L200 HydrophobicContact CG-CD1 4.17Å; Q196-L200 VanDerWaalsContact O-CG 3.31Å; Q196-L200 WeakPolarHBondContact O-CG 3.29Å; Q196-L200 PolarHBondContact O-N 3.3Å; N197-L200 PolarHBondContact O-N 2.88Å; H198-L200 VanDerWaalsContact C-N 3.32Å; H198-L200 PolarHBondContact O-N 3.4Å; L200-Q203 PolarHBondContact O-N 3.37Å; L200-C204 WeakPolarHBondContact O-CB 3.37Å; L200-C204 PolarHBondContact O-N 2.93Å
201S84.9Confident78.5Confident76 Ų76111.4 Ų111.453%0.53157%0.574SS.*Hα-helixtrans-63-44176.1-174.90000111.5N197 H198 C204 S205N197-S201 VanDerWaalsContact O-CB 3.25Å; N197-S201 WeakPolarHBondContact O-CB 3.32Å; N197-S201 PolarHBondContact O-N 2.97Å; H198-S201 WeakPolarHBondContact O-CB 3.13Å; H198-S201 PolarHBondContact O-N 3.29Å; S201-C204 PolarHBondContact O-N 2.92Å; S201-S205 PolarHBondContact O-N 3.38Å
202D84.3Confident75.9Confident68 Ų68111 Ų11136%0.36458%0.583SS.*Hα-helixtrans-62.4-43.9175.7-63.9-23.4000111.3H198 C204 S205 E206H198-D202 IonicContact CE1-OD1 3.97Å; H198-D202 IonicContact CE1-OD2 3.95Å; H198-D202 PolarHBondContact CE1-OD2 3.44Å; H198-D202 IonicContact ND1-OD1 3.78Å; H198-D202 IonicContact ND1-OD2 2.77Å; H198-D202 PolarHBondContact ND1-OD2 3.36Å; H198-D202 VanDerWaalsContact O-CG 3.24Å; H198-D202 PolarHBondContact O-N 3.33Å; D202-C204 VanDerWaalsContact C-N 3.26Å; D202-C204 PolarHBondContact O-N 3.44Å; D202-S205 PolarHBondContact O-N 2.92Å; D202-S205 PolarHBondContact O-OG 3.5Å; D202-E206 WeakPolarHBondContact O-CG 3.3Å; D202-E206 PolarHBondContact O-N 3.26Å
203Q82Confident73.7Confident84 Ų84111.7 Ų111.739%0.39361%0.605SS.*Hα-helixtrans-65.9-26.8176-71.8178.830.300113.7I199 L200 K207I199-Q203 VanDerWaalsContact O-CG 3.31Å; I199-Q203 WeakPolarHBondContact O-CG 3.38Å; I199-Q203 PolarHBondContact O-N 3.01Å; I199-Q203 VanDerWaalsContact O-N 3.13Å; L200-Q203 PolarHBondContact O-N 3.37Å; Q203-K207 WeakPolarHBondContact O-CD 3.48Å; Q203-K207 WeakPolarHBondContact O-CG 3.5Å
204C72Confident71.6Confident88 Ų88117.3 Ų117.360%0.59563%0.627SS**Hα-helixtrans-79.8-33.6177-85.80000112.5L200 S201 D202L200-C204 WeakPolarHBondContact O-CB 3.37Å; L200-C204 PolarHBondContact O-N 2.93Å; S201-C204 PolarHBondContact O-N 2.92Å; D202-C204 VanDerWaalsContact C-N 3.26Å; D202-C204 PolarHBondContact O-N 3.44Å
205S66.7Low69.1Low82 Ų82116.1 Ų116.157%0.57363%0.634SS**Hα-helixtrans-71.3-35.7176.6650000111.8S201 D202 K207S201-S205 PolarHBondContact O-N 3.38Å; D202-S205 PolarHBondContact O-N 2.92Å; D202-S205 PolarHBondContact O-OG 3.5Å; S205-K207 VanDerWaalsContact C-N 3.33Å; S205-K207 PolarHBondContact O-N 3.29Å
206E60.7Low67.2Low147 Ų147119.6 Ų119.669%0.68765%0.647SS**Hα-helixtrans-67.4-28.3176.4-70.4177.6177.900113.6D202 K208 G209D202-E206 WeakPolarHBondContact O-CG 3.3Å; D202-E206 PolarHBondContact O-N 3.26Å; E206-K208 VanDerWaalsContact C-N 3.32Å; E206-K208 PolarHBondContact O-N 2.87Å; E206-G209 PolarHBondContact O-N 2.83Å
207K57.6Low65.3Low155 Ų155124.4 Ų124.467%0.67467%0.667SS**THydrogen-bonded Turntrans-78.8-5.2-175-78.3175.7-174.6169.90115.4Q203 S205 G209Q203-K207 WeakPolarHBondContact O-CD 3.48Å; Q203-K207 WeakPolarHBondContact O-CG 3.5Å; S205-K207 VanDerWaalsContact C-N 3.33Å; S205-K207 PolarHBondContact O-N 3.29Å; K207-G209 VanDerWaalsContact C-N 3.31Å
208K55.7Low63.5Low202 Ų202129.5 Ų129.588%0.87868%0.678SS**THydrogen-bonded Turntrans-82.3-4.7173-77.1-173.2176.8179.90113.9E206E206-K208 VanDerWaalsContact C-N 3.32Å; E206-K208 PolarHBondContact O-N 2.87Å
209G53.9Low61.6Low68 Ų68130.9 Ų130.970%0.70168%0.682SS**SBendtrans-115.6-8.3-17400000117.7E206 K207E206-G209 PolarHBondContact O-N 2.83Å; K207-G209 VanDerWaalsContact C-N 3.31Å
210Q52.1Low59.9Low180 Ų180130.2 Ų130.284%0.84169%0.685SS**  trans-140.298-175.9-105.1174.511.700112.9
211S45.2Very low58.7Low106 Ų106129.8 Ų129.874%0.74169%0.689SS**  trans-67.7141.6161.849.40000110.4
212T41Very low58Low139 Ų139131.9 Ų131.985%0.85369%0.691SS**  trans6782.9158.365.70000118.4
213S53Low57.5Low125 Ų125135.3 Ų135.387%0.87470%0.702SS**  trans-154.5135.2154-179.50000111.6
214K51.3Low57.3Low193 Ų193136.5 Ų136.584%0.83971%0.711SS**  trans-67.6132.2-156.7-62.3162.8178.6171.90114K216K214-K216 PolarHBondContact O-N 3.49Å
215P44.6Very low57.7Low122 Ų122138 Ų13879%0.79271%0.709SS**  trans-94.582.6175.936-28.8000110.2
216K52.6Low58.4Low195 Ų195136.2 Ų136.285%0.84870%0.697SS**  trans-133.813179.1-80.1-169.4176.2178.20116.9K214K214-K216 PolarHBondContact O-N 3.49Å
217K52.7Low59.5Low185 Ų185133.1 Ų133.180%0.80469%0.686SS**SBendtrans-131.4-0.5178.9-107.8-178.7179-179.40118S220K217-S220 PolarHBondContact O-OG 3.26Å
218R54Low60.8Low216 Ų216131.9 Ų131.982%0.81568%0.68SS**Hα-helixtrans-73.5-27.6-179.5-78.9-171.5179.3-179.5-0.3114.6S220 S221R218-S220 VanDerWaalsContact C-N 3.3Å; R218-S220 PolarHBondContact O-N 3.49Å; R218-S221 PolarHBondContact O-N 3.48Å; R218-S221 PolarHBondContact O-OG 3.34Å
219F50.3Low62.4Low149 Ų149127.1 Ų127.165%0.65466%0.661SS**Hα-helixtrans-69.1-21-174.7-71.5-73.7000115K223F219-K223 WeakPolarHBondContact O-CG 3.17Å; F219-K223 PolarHBondContact O-N 3.23Å
220S56.2Low64.2Low71 Ų71128.4 Ų128.450%0.49765%0.651SS.*Hα-helixtrans-80.5-33.5-179.454.10000113K217 R218 N224K217-S220 PolarHBondContact O-OG 3.26Å; R218-S220 VanDerWaalsContact C-N 3.3Å; R218-S220 PolarHBondContact O-N 3.49Å; S220-N224 PolarHBondContact O-N 2.85Å; S220-N224 PolarHBondContact O-ND2 2.91Å
221S62.2Low66.2Low74 Ų74126.4 Ų126.452%0.51764%0.64SS.*Hα-helixtrans-72.9-39.3178.960.70000111.9R218 N224 Q225R218-S221 PolarHBondContact O-N 3.48Å; R218-S221 PolarHBondContact O-OG 3.34Å; S221-N224 PolarHBondContact O-N 3.31Å; S221-Q225 WeakPolarHBondContact O-CB 3.39Å; S221-Q225 PolarHBondContact O-N 3.38Å
222E69.8Low68.4Low121 Ų121123.7 Ų123.757%0.56562%0.619SS**Hα-helixtrans-68-38.3179-168172-161.800112.1N224 Q225 S226E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.95Å; E222-Q225 PolarHBondContact O-N 3.23Å; E222-S226 WeakPolarHBondContact O-CB 3.43Å; E222-S226 PolarHBondContact O-N 2.94Å; E222-S226 PolarHBondContact O-OG 3.23Å
223K74.5Confident71Confident139 Ų139122.2 Ų122.260%0.60461%0.605SS**Hα-helixtrans-63.2-38.7170.7-76.9-176.9-179.6-175.10112.3F219 S226 N227F219-K223 WeakPolarHBondContact O-CG 3.17Å; F219-K223 PolarHBondContact O-N 3.23Å; K223-S226 VanDerWaalsContact CA-OG 3.31Å; K223-S226 WeakPolarHBondContact CA-OG 3.46Å; K223-S226 PolarHBondContact O-OG 2.98Å; K223-N227 WeakPolarHBondContact O-CB 3.44Å; K223-N227 PolarHBondContact O-N 3.39Å; K223-N227 PolarHBondContact O-ND2 3.25Å
224N77.2Confident72.9Confident109 Ų109118.7 Ų118.758%0.58358%0.58SS**Hα-helixtrans-70.3-38.1177-69.8-17.5000112.1S220 S221 E222 F228S220-N224 PolarHBondContact O-N 2.85Å; S220-N224 PolarHBondContact O-ND2 2.91Å; S221-N224 PolarHBondContact O-N 3.31Å; E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.95Å; N224-F228 WeakPolarHBondContact O-CB 3.47Å; N224-F228 PolarHBondContact O-N 2.99Å
225Q80.6Confident75Confident119 Ų119116.2 Ų116.256%0.55657%0.566SS**Hα-helixtrans-66.8-46.7175.9-176176.1100112.1S221 E222 F228 Q229S221-Q225 WeakPolarHBondContact O-CB 3.39Å; S221-Q225 PolarHBondContact O-N 3.38Å; E222-Q225 PolarHBondContact O-N 3.23Å; Q225-F228 WeakPolarHBondContact O-CB 3.43Å; Q225-F228 PolarHBondContact O-N 3.49Å; Q225-Q229 WeakPolarHBondContact O-CG 3.46Å; Q225-Q229 PolarHBondContact O-N 3.11Å
226S80.4Confident77.4Confident45 Ų45113.8 Ų113.832%0.31555%0.548SS..Hα-helixtrans-62.6-42.2174.550.30000111.6E222 K223 F228 Q229 I230E222-S226 WeakPolarHBondContact O-CB 3.43Å; E222-S226 PolarHBondContact O-N 2.94Å; E222-S226 PolarHBondContact O-OG 3.23Å; K223-S226 VanDerWaalsContact CA-OG 3.31Å; K223-S226 WeakPolarHBondContact CA-OG 3.46Å; K223-S226 PolarHBondContact O-OG 2.98Å; S226-F228 VanDerWaalsContact C-N 3.31Å; S226-F228 PolarHBondContact O-N 2.92Å; S226-Q229 PolarHBondContact O-N 3.45Å; S226-I230 WeakPolarHBondContact O-CB 3.14Å; S226-I230 WeakPolarHBondContact O-CD1 2.89Å; S226-I230 WeakPolarHBondContact O-CG1 3.36Å; S226-I230 PolarHBondContact O-N 3.03Å
227N84.1Confident79.4Confident83 Ų83109.8 Ų109.844%0.44454%0.535SS..Hα-helixtrans-60.9-38.1173.4-78.3-31000112.6K223 K231K223-N227 WeakPolarHBondContact O-CB 3.44Å; K223-N227 PolarHBondContact O-N 3.39Å; K223-N227 PolarHBondContact O-ND2 3.25Å; N227-K231 WeakPolarHBondContact O-CB 3.4Å; N227-K231 VanDerWaalsContact O-CG 3.26Å; N227-K231 WeakPolarHBondContact O-CG 3.4Å; N227-K231 PolarHBondContact O-N 3.17Å
228F85.4Confident81.5Confident129 Ų129108.1 Ų108.157%0.56653%0.528SS*.Hα-helixtrans-65.7-46.1174.4-178.5-94.7000111.6N224 Q225 S226 I230 K231 T232N224-F228 WeakPolarHBondContact O-CB 3.47Å; N224-F228 PolarHBondContact O-N 2.99Å; Q225-F228 WeakPolarHBondContact O-CB 3.43Å; Q225-F228 PolarHBondContact O-N 3.49Å; S226-F228 VanDerWaalsContact C-N 3.31Å; S226-F228 PolarHBondContact O-N 2.92Å; F228-I230 PolarHBondContact O-N 2.83Å; F228-K231 PolarHBondContact O-N 3.01Å; F228-T232 PolarHBondContact O-N 2.98Å; F228-T232 PolarHBondContact O-OG1 3.07Å; F228-T232 VanDerWaalsContact O-OG1 3.07Å
229Q90.1Very high83.5Confident102 Ų102101.8 Ų101.848%0.47751%0.51SS..Hα-helixtrans-59.7-45.6175.5-72.2175.5-200111.6Q225 S226 K231 T232 L233Q225-Q229 WeakPolarHBondContact O-CG 3.46Å; Q225-Q229 PolarHBondContact O-N 3.11Å; S226-Q229 PolarHBondContact O-N 3.45Å; Q229-K231 PolarHBondContact O-N 3.46Å; Q229-T232 PolarHBondContact O-N 3.14Å; Q229-L233 WeakPolarHBondContact O-CB 3.31Å; Q229-L233 WeakPolarHBondContact O-CG 3.44Å; Q229-L233 PolarHBondContact O-N 2.89Å
230I91.5Very high85.7Confident94 Ų9499.4 Ų99.448%0.48250%0.504SS..Hα-helixtrans-60.5-44.2176.4-68.9164.2000110.9S226 F228 T232 L233 S234S226-I230 WeakPolarHBondContact O-CB 3.14Å; S226-I230 WeakPolarHBondContact O-CD1 2.89Å; S226-I230 WeakPolarHBondContact O-CG1 3.36Å; S226-I230 PolarHBondContact O-N 3.03Å; F228-I230 PolarHBondContact O-N 2.83Å; I230-T232 VanDerWaalsContact C-N 3.33Å; I230-T232 PolarHBondContact O-N 3.28Å; I230-L233 PolarHBondContact O-N 3.44Å; I230-S234 VanDerWaalsContact O-CB 3.25Å; I230-S234 WeakPolarHBondContact O-CB 3.47Å; I230-S234 PolarHBondContact O-N 2.98Å; I230-S234 PolarHBondContact O-OG 3.45Å
231K93Very high87.6Confident139 Ų13999.8 Ų99.860%0.60450%0.5SS*.Hα-helixtrans-63.6-37.8176.7-77.8177.2-179.4-175.30112.4N227 F228 Q229 R235N227-K231 WeakPolarHBondContact O-CB 3.4Å; N227-K231 VanDerWaalsContact O-CG 3.26Å; N227-K231 WeakPolarHBondContact O-CG 3.4Å; N227-K231 PolarHBondContact O-N 3.17Å; F228-K231 PolarHBondContact O-N 3.01Å; Q229-K231 PolarHBondContact O-N 3.46Å; K231-R235 PolarHBondContact O-N 2.79Å; K231-R235 VanDerWaalsContact O-N 3.12Å
232T92.1Very high89.2Confident49 Ų49102.5 Ų102.530%0.30151%0.505SS..Hα-helixtrans-70-48.1177-61.90000111F228 Q229 I230 S234 R235 V236F228-T232 PolarHBondContact O-N 2.98Å; F228-T232 PolarHBondContact O-OG1 3.07Å; F228-T232 VanDerWaalsContact O-OG1 3.07Å; Q229-T232 PolarHBondContact O-N 3.14Å; I230-T232 VanDerWaalsContact C-N 3.33Å; I230-T232 PolarHBondContact O-N 3.28Å; T232-S234 VanDerWaalsContact C-N 3.3Å; T232-S234 PolarHBondContact O-N 2.92Å; T232-R235 WeakPolarHBondContact O-CB 3.35Å; T232-R235 PolarHBondContact O-N 3.12Å; T232-R235 VanDerWaalsContact O-N 3.13Å; T232-R235 PolarHBondContact OG1-NH2 2.84Å; T232-V236 WeakPolarHBondContact O-CG2 3.45Å; T232-V236 PolarHBondContact O-N 3.45Å
233L94.4Very high90.5Very high107 Ų107101.9 Ų101.956%0.5650%0.502SS*.Hα-helixtrans-59.6-39.9174.2-69.8172.8000111.9Q229 I230 R235 V236 I237Q229-L233 WeakPolarHBondContact O-CB 3.31Å; Q229-L233 WeakPolarHBondContact O-CG 3.44Å; Q229-L233 PolarHBondContact O-N 2.89Å; I230-L233 PolarHBondContact O-N 3.44Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 3.37Å; L233-V236 PolarHBondContact O-N 3.45Å; L233-I237 WeakPolarHBondContact O-CB 3.5Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.5Å; L233-I237 PolarHBondContact O-N 3.31Å
234S94.5Very high91.5Very high52 Ų52100.9 Ų100.936%0.36450%0.498SS..Hα-helixtrans-64.4-35.3176.5-610000112.7I230 T232 K238I230-S234 VanDerWaalsContact O-CB 3.25Å; I230-S234 WeakPolarHBondContact O-CB 3.47Å; I230-S234 PolarHBondContact O-N 2.98Å; I230-S234 PolarHBondContact O-OG 3.45Å; T232-S234 VanDerWaalsContact C-N 3.3Å; T232-S234 PolarHBondContact O-N 2.92Å; S234-K238 VanDerWaalsContact O-CG 3.27Å; S234-K238 WeakPolarHBondContact O-CG 3.47Å; S234-K238 PolarHBondContact O-N 3.43Å; S234-K238 VanDerWaalsContact O-N 3.16Å
235R95Very high92.4Very high140 Ų140100.5 Ų100.553%0.52849%0.492SS..Hα-helixtrans-65.6-50.5171.9-84.4-178.7-76.4163.1-1.5110.8K231 T232 L233 I237 K238 D239K231-R235 PolarHBondContact O-N 2.79Å; K231-R235 VanDerWaalsContact O-N 3.12Å; T232-R235 WeakPolarHBondContact O-CB 3.35Å; T232-R235 PolarHBondContact O-N 3.12Å; T232-R235 VanDerWaalsContact O-N 3.13Å; T232-R235 PolarHBondContact OG1-NH2 2.84Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 3.37Å; R235-I237 VanDerWaalsContact C-N 3.32Å; R235-I237 PolarHBondContact O-N 2.8Å; R235-K238 WeakPolarHBondContact O-CB 3.45Å; R235-K238 PolarHBondContact O-N 2.85Å; R235-K238 VanDerWaalsContact O-N 3.08Å; R235-D239 VanDerWaalsContact O-CG 3.24Å; R235-D239 PolarHBondContact O-N 2.86Å
236V95.1Very high93.2Very high71 Ų7199.5 Ų99.543%0.4349%0.488SS..Hα-helixtrans-57.6-43.8178.3174.70000111.9T232 L233 K238 D239 L240T232-V236 WeakPolarHBondContact O-CG2 3.45Å; T232-V236 PolarHBondContact O-N 3.45Å; L233-V236 PolarHBondContact O-N 3.45Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 3.4Å; V236-D239 PolarHBondContact O-N 3.49Å; V236-L240 HydrophobicContact CG1-CD1 3.89Å; V236-L240 HydrophobicContact CG1-CG 4.3Å; V236-L240 WeakPolarHBondContact O-CB 3.45Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.36Å; V236-L240 PolarHBondContact O-N 2.86Å
237I95.2Very high93.9Very high112 Ų112102.7 Ų102.757%0.57450%0.5SS*.Hα-helixtrans-61.9-42.2177.3-70.7165.5000111.1L233 R235 L240 D241L233-I237 WeakPolarHBondContact O-CB 3.5Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.5Å; L233-I237 PolarHBondContact O-N 3.31Å; R235-I237 VanDerWaalsContact C-N 3.32Å; R235-I237 PolarHBondContact O-N 2.8Å; I237-L240 PolarHBondContact O-N 3.39Å; I237-D241 WeakPolarHBondContact O-CB 3.48Å; I237-D241 PolarHBondContact O-N 3.24Å
238K96.3Very high94.5Very high149 Ų149102.9 Ų102.965%0.64850%0.501SS*.Hα-helixtrans-65.2-44.2176.6-75.4177.2179.7-170.50111.9S234 R235 V236 L240 D241 Q242S234-K238 VanDerWaalsContact O-CG 3.27Å; S234-K238 WeakPolarHBondContact O-CG 3.47Å; S234-K238 PolarHBondContact O-N 3.43Å; S234-K238 VanDerWaalsContact O-N 3.16Å; R235-K238 WeakPolarHBondContact O-CB 3.45Å; R235-K238 PolarHBondContact O-N 2.85Å; R235-K238 VanDerWaalsContact O-N 3.08Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 3.4Å; K238-L240 VanDerWaalsContact C-N 3.34Å; K238-L240 PolarHBondContact O-N 3.43Å; K238-D241 PolarHBondContact O-N 3.03Å; K238-Q242 WeakPolarHBondContact O-CB 3.49Å; K238-Q242 PolarHBondContact O-N 3.35Å
239D95.6Very high94.9Very high83 Ų8399.7 Ų99.744%0.44450%0.498SS..Hα-helixtrans-63.5-41.8178.5-62.8-15.9000110.8R235 V236 Q242 Q243R235-D239 VanDerWaalsContact O-CG 3.24Å; R235-D239 PolarHBondContact O-N 2.86Å; V236-D239 PolarHBondContact O-N 3.49Å; D239-Q242 PolarHBondContact O-N 2.91Å; D239-Q243 WeakPolarHBondContact O-CG 3.45Å; D239-Q243 PolarHBondContact O-N 3.22Å
240L96.7Very high95.2Very high99 Ų99100 Ų10052%0.51850%0.498SS..Hα-helixtrans-64.6-40174.4-74173.6000112.3V236 I237 K238 Q243 K244V236-L240 HydrophobicContact CG1-CD1 3.89Å; V236-L240 HydrophobicContact CG1-CG 4.3Å; V236-L240 WeakPolarHBondContact O-CB 3.45Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.36Å; V236-L240 PolarHBondContact O-N 2.86Å; I237-L240 PolarHBondContact O-N 3.39Å; K238-L240 VanDerWaalsContact C-N 3.34Å; K238-L240 PolarHBondContact O-N 3.43Å; L240-Q243 PolarHBondContact O-N 3.4Å; L240-K244 WeakPolarHBondContact O-CB 3.41Å; L240-K244 PolarHBondContact O-N 2.82Å
241D95.8Very high95.4Very high79 Ų79100.5 Ų100.542%0.42250%0.501SS..Hα-helixtrans-67.3-39.7176.2-164.358.6000111.2I237 K238 K244 Q245I237-D241 WeakPolarHBondContact O-CB 3.48Å; I237-D241 PolarHBondContact O-N 3.24Å; K238-D241 PolarHBondContact O-N 3.03Å; D241-K244 WeakPolarHBondContact O-CB 3.45Å; D241-K244 PolarHBondContact O-N 2.94Å; D241-Q245 VanDerWaalsContact O-CG 3.31Å; D241-Q245 WeakPolarHBondContact O-CG 3.46Å; D241-Q245 PolarHBondContact O-N 3.39Å
242Q96.9Very high95.5Very high132 Ų13299.8 Ų99.862%0.61750%0.5SS*.Hα-helixtrans-60.4-47.4172.9-177.6176.1-1.400111.7K238 D239 K244 Q245 E246K238-Q242 WeakPolarHBondContact O-CB 3.49Å; K238-Q242 PolarHBondContact O-N 3.35Å; D239-Q242 PolarHBondContact O-N 2.91Å; Q242-K244 VanDerWaalsContact C-N 3.33Å; Q242-K244 PolarHBondContact O-N 2.9Å; Q242-Q245 PolarHBondContact O-N 3.32Å; Q242-E246 PolarHBondContact O-N 2.96Å
243Q96.1Very high95.6Very high107 Ų107100.3 Ų100.350%0.551%0.505SS..Hα-helixtrans-61.8-40.6176.1-72.8176.534.600111.9D239 L240 E246 L247D239-Q243 WeakPolarHBondContact O-CG 3.45Å; D239-Q243 PolarHBondContact O-N 3.22Å; L240-Q243 PolarHBondContact O-N 3.4Å; Q243-E246 PolarHBondContact O-N 3.42Å; Q243-L247 WeakPolarHBondContact O-CB 3.38Å; Q243-L247 WeakPolarHBondContact O-CG 3.41Å; Q243-L247 PolarHBondContact O-N 2.98Å
244K95.9Very high95.7Very high119 Ų11999.8 Ų99.852%0.51750%0.503SS..Hα-helixtrans-60.2-45.6174.4176.2-172.3169-167.30111.3L240 D241 Q242 L247 I248L240-K244 WeakPolarHBondContact O-CB 3.41Å; L240-K244 PolarHBondContact O-N 2.82Å; D241-K244 WeakPolarHBondContact O-CB 3.45Å; D241-K244 PolarHBondContact O-N 2.94Å; Q242-K244 VanDerWaalsContact C-N 3.33Å; Q242-K244 PolarHBondContact O-N 2.9Å; K244-L247 PolarHBondContact O-N 3.2Å; K244-I248 HydrophobicContact CG-CD1 4Å; K244-I248 VanDerWaalsContact O-CG1 3.27Å; K244-I248 WeakPolarHBondContact O-CG1 3.46Å; K244-I248 PolarHBondContact O-N 3.5Å
245Q96.4Very high95.6Very high100 Ų100101.1 Ų101.147%0.46751%0.508SS..Hα-helixtrans-64.8-41.5177.9-67.6-60.9-14.900112.1D241 Q242 L247 I248 A249D241-Q245 VanDerWaalsContact O-CG 3.31Å; D241-Q245 WeakPolarHBondContact O-CG 3.46Å; D241-Q245 PolarHBondContact O-N 3.39Å; Q242-Q245 PolarHBondContact O-N 3.32Å; Q245-L247 VanDerWaalsContact C-N 3.34Å; Q245-L247 PolarHBondContact O-N 3.45Å; Q245-I248 PolarHBondContact O-N 3.36Å; Q245-A249 PolarHBondContact O-N 3.4Å
246E95.7Very high95.5Very high99 Ų9997.2 Ų97.246%0.46350%0.498SS..Hα-helixtrans-61.2-43.4175.3-169.5-171.2161.100111.6Q242 Q243 A249 K250Q242-E246 PolarHBondContact O-N 2.96Å; Q243-E246 PolarHBondContact O-N 3.42Å; E246-A249 PolarHBondContact O-N 3.04Å; E246-K250 HydrophobicContact CG-CD 4.49Å; E246-K250 WeakPolarHBondContact O-CG 3.45Å; E246-K250 PolarHBondContact O-N 3.2Å; E246-K250 WeakPolarHBondContact OE1-CE 3.21Å; E246-K250 IonicContact OE1-NZ 2.63Å; E246-K250 PolarHBondContact OE1-NZ 3.45Å
247L96.5Very high95.5Very high111 Ų11199.9 Ų99.958%0.58150%0.503SS*.Hα-helixtrans-63.5-41.3175.1-76172.6000112Q243 K244 Q245 K250 N251Q243-L247 WeakPolarHBondContact O-CB 3.38Å; Q243-L247 WeakPolarHBondContact O-CG 3.41Å; Q243-L247 PolarHBondContact O-N 2.98Å; K244-L247 PolarHBondContact O-N 3.2Å; Q245-L247 VanDerWaalsContact C-N 3.34Å; Q245-L247 PolarHBondContact O-N 3.45Å; L247-K250 PolarHBondContact O-N 3.39Å; L247-N251 WeakPolarHBondContact O-CB 3.42Å; L247-N251 PolarHBondContact O-N 2.9Å
248I95.5Very high95.3Very high88 Ų8898.8 Ų98.845%0.45150%0.498SS..Hα-helixtrans-60.6-45.6174.8-70.4165.5000110.5K244 Q245 N251 H252K244-I248 HydrophobicContact CG-CD1 4Å; K244-I248 VanDerWaalsContact O-CG1 3.27Å; K244-I248 WeakPolarHBondContact O-CG1 3.46Å; K244-I248 PolarHBondContact O-N 3.5Å; Q245-I248 PolarHBondContact O-N 3.36Å; I248-N251 PolarHBondContact O-N 3.42Å; I248-H252 WeakPolarHBondContact O-CB 3.5Å; I248-H252 PolarHBondContact O-N 3Å
249A95.7Very high95.1Very high62 Ų6295.9 Ų95.951%0.51249%0.487SS..Hα-helixtrans-62.5-43.4177.600000112.2Q245 E246 H252 C253Q245-A249 PolarHBondContact O-N 3.4Å; E246-A249 PolarHBondContact O-N 3.04Å; A249-H252 PolarHBondContact O-N 3.02Å; A249-C253 PolarHBondContact O-N 3.15Å
250K95.9Very high94.9Very high108 Ų10898.2 Ų98.247%0.4749%0.493SS..Hα-helixtrans-61.1-45.2173.5-74.4176.1-176168.80111.7E246 L247 C253 L254E246-K250 HydrophobicContact CG-CD 4.49Å; E246-K250 WeakPolarHBondContact O-CG 3.45Å; E246-K250 PolarHBondContact O-N 3.2Å; E246-K250 WeakPolarHBondContact OE1-CE 3.21Å; E246-K250 IonicContact OE1-NZ 2.63Å; E246-K250 PolarHBondContact OE1-NZ 3.45Å; L247-K250 PolarHBondContact O-N 3.39Å; K250-C253 WeakPolarHBondContact O-CB 3.38Å; K250-C253 PolarHBondContact O-N 3.47Å; K250-L254 WeakPolarHBondContact O-CG 3.47Å; K250-L254 PolarHBondContact O-N 3.47Å
251N94.9Very high94.5Very high104 Ų10498.7 Ų98.756%0.55650%0.495SS*.Hα-helixtrans-62.7-43.7178.3-135.1-36.9000111.1L247 I248 C253 L254 V255L247-N251 WeakPolarHBondContact O-CB 3.42Å; L247-N251 PolarHBondContact O-N 2.9Å; I248-N251 PolarHBondContact O-N 3.42Å; N251-C253 VanDerWaalsContact C-N 3.34Å; N251-C253 PolarHBondContact O-N 3.17Å; N251-L254 PolarHBondContact O-N 3.16Å; N251-V255 WeakPolarHBondContact O-CB 3.32Å; N251-V255 VanDerWaalsContact O-CG2 3.3Å; N251-V255 WeakPolarHBondContact O-CG2 3.33Å; N251-V255 PolarHBondContact O-N 3.27Å
252H95.6Very high94Very high124 Ų124102.8 Ų102.857%0.57451%0.506SS*.Hα-helixtrans-60.1-41.5174.5-176.4-101.4000112.2I248 A249 N256I248-H252 WeakPolarHBondContact O-CB 3.5Å; I248-H252 PolarHBondContact O-N 3Å; A249-H252 PolarHBondContact O-N 3.02Å; H252-N256 PolarHBondContact CE1-ND2 3.34Å; H252-N256 PolarHBondContact ND1-ND2 3.14Å; H252-N256 WeakPolarHBondContact O-CB 3.39Å; H252-N256 VanDerWaalsContact O-CG 3.3Å; H252-N256 PolarHBondContact O-N 3.38Å; H252-N256 PolarHBondContact O-ND2 3.16Å
253C94.6Very high93.4Very high61 Ų61103.9 Ų103.941%0.41251%0.505SS..Hα-helixtrans-62.4-44.4173.6-176.60000112.2A249 K250 N251 N256 K257A249-C253 PolarHBondContact O-N 3.15Å; K250-C253 WeakPolarHBondContact O-CB 3.38Å; K250-C253 PolarHBondContact O-N 3.47Å; N251-C253 VanDerWaalsContact C-N 3.34Å; N251-C253 PolarHBondContact O-N 3.17Å; C253-N256 PolarHBondContact O-N 2.95Å; C253-K257 WeakPolarHBondContact O-CG 3.45Å; C253-K257 PolarHBondContact O-N 3.2Å
254L95.4Very high92.7Very high96 Ų96105.5 Ų105.550%0.50351%0.512SS..Hα-helixtrans-64.9-44.6177.6-72.2172.8000112.3K250 N251 N256 K257 I258K250-L254 WeakPolarHBondContact O-CG 3.47Å; K250-L254 PolarHBondContact O-N 3.47Å; N251-L254 PolarHBondContact O-N 3.16Å; L254-N256 VanDerWaalsContact C-N 3.29Å; L254-N256 PolarHBondContact O-N 3.48Å; L254-K257 WeakPolarHBondContact O-CB 3.36Å; L254-K257 PolarHBondContact O-N 3.36Å; L254-K257 VanDerWaalsContact O-N 3.14Å; L254-I258 WeakPolarHBondContact O-CG1 3.31Å; L254-I258 PolarHBondContact O-N 3.33Å
255V93.6Very high91.8Very high79 Ų79106.3 Ų106.348%0.47952%0.521SS..Hα-helixtrans-58.3-43.5174.7170.40000110.5N251 I258 Q259N251-V255 WeakPolarHBondContact O-CB 3.32Å; N251-V255 VanDerWaalsContact O-CG2 3.3Å; N251-V255 WeakPolarHBondContact O-CG2 3.33Å; N251-V255 PolarHBondContact O-N 3.27Å; V255-I258 PolarHBondContact O-N 3.1Å; V255-Q259 WeakPolarHBondContact O-CB 3.37Å; V255-Q259 PolarHBondContact O-N 3.37Å
256N93Very high90.6Very high59 Ų59106.2 Ų106.232%0.31653%0.531SS..Hα-helixtrans-63.9-39.8175.3-75.4-29.5000112.7H252 C253 L254 Q259 K260H252-N256 PolarHBondContact CE1-ND2 3.34Å; H252-N256 PolarHBondContact ND1-ND2 3.14Å; H252-N256 WeakPolarHBondContact O-CB 3.39Å; H252-N256 VanDerWaalsContact O-CG 3.3Å; H252-N256 PolarHBondContact O-N 3.38Å; H252-N256 PolarHBondContact O-ND2 3.16Å; C253-N256 PolarHBondContact O-N 2.95Å; L254-N256 VanDerWaalsContact C-N 3.29Å; L254-N256 PolarHBondContact O-N 3.48Å; N256-Q259 PolarHBondContact O-N 3.14Å; N256-K260 WeakPolarHBondContact O-CG 3.43Å; N256-K260 PolarHBondContact O-N 3.44Å
257K93.6Very high89.1Confident126 Ų126104.8 Ų104.855%0.54853%0.533SS..Hα-helixtrans-62.8-46.2173.6-74.6-179.6-179.5-175.90111.5C253 L254 Q259 K260 L261C253-K257 WeakPolarHBondContact O-CG 3.45Å; C253-K257 PolarHBondContact O-N 3.2Å; L254-K257 WeakPolarHBondContact O-CB 3.36Å; L254-K257 PolarHBondContact O-N 3.36Å; L254-K257 VanDerWaalsContact O-N 3.14Å; K257-Q259 PolarHBondContact O-N 3.39Å; K257-K260 WeakPolarHBondContact O-CB 3.24Å; K257-K260 PolarHBondContact O-N 2.87Å; K257-L261 WeakPolarHBondContact O-CG 3.37Å; K257-L261 PolarHBondContact O-N 3.03Å
258I92.7Very high87.1Confident89 Ų89107.1 Ų107.146%0.45655%0.545SS..Hα-helixtrans-61.3-45.8177-70169.1000110.3L254 V255 K260 L261 Y262L254-I258 WeakPolarHBondContact O-CG1 3.31Å; L254-I258 PolarHBondContact O-N 3.33Å; V255-I258 PolarHBondContact O-N 3.1Å; I258-K260 VanDerWaalsContact C-N 3.32Å; I258-K260 PolarHBondContact O-N 3.4Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 PolarHBondContact O-N 3.01Å; I258-L261 VanDerWaalsContact O-N 3.14Å; I258-Y262 HydrophobicContact CG2-CD2 3.55Å; I258-Y262 HydrophobicContact CG2-CE2 3.52Å; I258-Y262 WeakPolarHBondContact O-CD2 3.43Å; I258-Y262 PolarHBondContact O-N 3.13Å
259Q90.9Very high85.1Confident89 Ų89109 Ų10942%0.41656%0.557SS.*Hα-helixtrans-62.1-39178-167.3-17812.500112V255 N256 K257 Y262 R263V255-Q259 WeakPolarHBondContact O-CB 3.37Å; V255-Q259 PolarHBondContact O-N 3.37Å; N256-Q259 PolarHBondContact O-N 3.14Å; K257-Q259 PolarHBondContact O-N 3.39Å; Q259-Y262 PolarHBondContact O-N 3.48Å; Q259-R263 WeakPolarHBondContact O-CG 3.36Å; Q259-R263 PolarHBondContact O-N 3.24Å
260K90.7Very high83.1Confident132 Ų132111.2 Ų111.257%0.57456%0.563SS**Hα-helixtrans-60.1-47.6171.8-74.5176.7-179.2-173.50111.1N256 K257 I258 Y262 R263 H264N256-K260 WeakPolarHBondContact O-CG 3.43Å; N256-K260 PolarHBondContact O-N 3.44Å; K257-K260 WeakPolarHBondContact O-CB 3.24Å; K257-K260 PolarHBondContact O-N 2.87Å; I258-K260 VanDerWaalsContact C-N 3.32Å; I258-K260 PolarHBondContact O-N 3.4Å; K260-Y262 PolarHBondContact O-N 2.9Å; K260-R263 WeakPolarHBondContact O-CB 3.2Å; K260-R263 PolarHBondContact O-N 3.01Å; K260-R263 VanDerWaalsContact O-N 3.16Å; K260-H264 PolarHBondContact O-CD2 2.98Å; K260-H264 PolarHBondContact O-N 3.19Å
261L88.9Confident81.1Confident108 Ų108116.4 Ų116.457%0.56559%0.586SS**Hα-helixtrans-60.4-43.9177.5-68.4173000112.4K257 I258 R263 H264 L265K257-L261 WeakPolarHBondContact O-CG 3.37Å; K257-L261 PolarHBondContact O-N 3.03Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 PolarHBondContact O-N 3.01Å; I258-L261 VanDerWaalsContact O-N 3.14Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 3.43Å; L261-H264 PolarHBondContact O-N 3.47Å; L261-L265 WeakPolarHBondContact O-CB 3.5Å; L261-L265 WeakPolarHBondContact O-CG 3.19Å; L261-L265 PolarHBondContact O-N 3.42Å
262Y85.1Confident79.3Confident165 Ų165118.9 Ų118.965%0.64759%0.594SS**Hα-helixtrans-62.6-36.1175-87.7-79.3000112.5I258 Q259 K260 L265 S266I258-Y262 HydrophobicContact CG2-CD2 3.55Å; I258-Y262 HydrophobicContact CG2-CE2 3.52Å; I258-Y262 WeakPolarHBondContact O-CD2 3.43Å; I258-Y262 PolarHBondContact O-N 3.13Å; Q259-Y262 PolarHBondContact O-N 3.48Å; K260-Y262 PolarHBondContact O-N 2.9Å; Y262-L265 PolarHBondContact O-N 3.01Å; Y262-S266 WeakPolarHBondContact O-CB 3.26Å; Y262-S266 PolarHBondContact O-N 3.37Å
263R85.3Confident77Confident156 Ų156119.7 Ų119.759%0.58960%0.603SS**Hα-helixtrans-66.4-40.7174-71.4179.7-160.81746.7111.9Q259 K260 L261 S266 S267Q259-R263 WeakPolarHBondContact O-CG 3.36Å; Q259-R263 PolarHBondContact O-N 3.24Å; K260-R263 WeakPolarHBondContact O-CB 3.2Å; K260-R263 PolarHBondContact O-N 3.01Å; K260-R263 VanDerWaalsContact O-N 3.16Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 3.43Å; R263-S266 PolarHBondContact O-N 2.91Å; R263-S267 WeakPolarHBondContact O-CB 3.47Å; R263-S267 PolarHBondContact O-N 3.23Å; R263-S267 VanDerWaalsContact O-N 3.07Å
264H81.6Confident75.1Confident141 Ų141125 Ų12565%0.65363%0.625SS**Hα-helixtrans-66.2-40.1175-69.8-64.7000112.2K260 L261K260-H264 PolarHBondContact O-CD2 2.98Å; K260-H264 PolarHBondContact O-N 3.19Å; L261-H264 PolarHBondContact O-N 3.47Å
265L76.7Confident73.4Confident135 Ų135125.2 Ų125.271%0.70763%0.631SS**Hα-helixtrans-72.4-30177.3-71.7164.9000113.3L261 Y262L261-L265 WeakPolarHBondContact O-CB 3.5Å; L261-L265 WeakPolarHBondContact O-CG 3.19Å; L261-L265 PolarHBondContact O-N 3.42Å; Y262-L265 PolarHBondContact O-N 3.01Å
266S70.8Confident71.3Confident98 Ų98126.3 Ų126.369%0.68564%0.639SS**Hα-helixtrans-83.8-20.3179.5-175.10000113.2Y262 R263 N268Y262-S266 WeakPolarHBondContact O-CB 3.26Å; Y262-S266 PolarHBondContact O-N 3.37Å; R263-S266 PolarHBondContact O-N 2.91Å; S266-N268 PolarHBondContact O-N 2.94Å
267S64.1Low69Low70 Ų70133.6 Ų133.649%0.4966%0.664SS.*SBendtrans-87.5100.3172-156.90000107.2R263 D269R263-S267 WeakPolarHBondContact O-CB 3.47Å; R263-S267 PolarHBondContact O-N 3.23Å; R263-S267 VanDerWaalsContact O-N 3.07Å; S267-D269 PolarHBondContact O-N 2.93Å
268N54.8Low66.7Low159 Ų159138.8 Ų138.885%0.8568%0.68SS**  trans-66.336.1-178.2-77.4-43.7000114.8S266S266-N268 PolarHBondContact O-N 2.94Å
269D54Low64.2Low129 Ų129138.6 Ų138.669%0.6969%0.692SS**  trans-104.8152165.4-74.2-42.9000107.8S267S267-D269 PolarHBondContact O-N 2.93Å
270V52.2Low61.9Low108 Ų108139.3 Ų139.366%0.65571%0.705SS**  trans97.775.7171.3-160.90000114.5E272V270-E272 HydrophobicContact CG1-CB 3.48Å; V270-E272 VanDerWaalsContact CG1-CB 3.48Å; V270-E272 HydrophobicContact CG1-CG 4.47Å; V270-E272 PolarHBondContact O-N 3.31Å; V270-E272 VanDerWaalsContact O-N 3.13Å
271K54.1Low59.7Low216 Ų216141.1 Ų141.194%0.93972%0.716SS**  -56.988.5129.5-68.3176.1179.1178.30108
272E57.8Low57.4Low157 Ų157142.3 Ų142.373%0.73472%0.723SS**  trans-155.4142.9156.3-101156.3178.100108.4V270 I274V270-E272 HydrophobicContact CG1-CB 3.48Å; V270-E272 VanDerWaalsContact CG1-CB 3.48Å; V270-E272 HydrophobicContact CG1-CG 4.47Å; V270-E272 PolarHBondContact O-N 3.31Å; V270-E272 VanDerWaalsContact O-N 3.13Å; E272-I274 PolarHBondContact O-N 3.09Å
273D47.7Very low55.7Low140 Ų140142 Ų14275%0.74973%0.733SS**  trans-41.5122.8-168.2-63.3-47.1000114.7T275D273-T275 WeakPolarHBondContact CB-OG1 3.29Å; D273-T275 PolarHBondContact O-N 3.45Å
274I54.3Low53.6Low174 Ų174143.2 Ų143.289%0.89275%0.745SS**  trans-69.969.5154.5-55.5172.5000106.5E272E272-I274 PolarHBondContact O-N 3.09Å
275T58.7Low51.8Low100 Ų100142.6 Ų142.661%0.61376%0.755SS**  trans-71.5127.5163.5-440000106.2D273 Y277D273-T275 WeakPolarHBondContact CB-OG1 3.29Å; D273-T275 PolarHBondContact O-N 3.45Å; T275-Y277 PolarHBondContact O-N 3.43Å
276P49.7Very low49.8Very low102 Ų102143.5 Ų143.566%0.66276%0.761SS**  trans-62119.1-176.624.6-31.1000108.4R278P276-R278 PolarHBondContact O-N 3.27Å
277Y46.2Very low48.7Very low211 Ų211144.8 Ų144.883%0.82776%0.764SS**  trans-62.973.8170.7-128.1-101.1000109T275 C280T275-Y277 PolarHBondContact O-N 3.43Å; Y277-C280 WeakPolarHBondContact CE1-SG 3.42Å
278R43.7Very low47.7Very low236 Ų236150.1 Ų150.189%0.89178%0.781SS**  trans-108.867161.9-80.2-153.5-161.6-157.49107.5P276P276-R278 PolarHBondContact O-N 3.27Å
279A39.9Very low47.1Very low84 Ų84150.3 Ų150.369%0.69478%0.781SS**  trans179.873.7161.600000109.9
280C43.5Very low46.4Very low105 Ų105147.8 Ų147.871%0.70979%0.785SS**  trans-126.471.2143.3-71.80000105.9Y277Y277-C280 WeakPolarHBondContact CE1-SG 3.42Å
281Q44.1Very low45.8Very low169 Ų169147.5 Ų147.579%0.7979%0.788SS**  trans-62137.3145.3-91.7172.8-7.300107.2
282D41.6Very low45.3Very low133 Ų133143 Ų14371%0.71178%0.783SS**  trans63.783.7146.8-47.1-22.3000116.8
283D48.4Very low44.7Very low160 Ų160145.1 Ų145.186%0.85679%0.79SS**  trans-14998.8144-87.6-34.5000109.7
284E41.8Very low44.6Very low180 Ų180144.9 Ų144.984%0.84179%0.794SS**  trans46.386.7148-62.9-174.6149.300119.7
285C42.8Very low43.8Very low129 Ų129141.9 Ų141.987%0.87279%0.788SS**  trans-129.479.6135.8-104.50000108V287C285-V287 VanDerWaalsContact C-N 3.33Å; C285-V287 PolarHBondContact O-N 2.95Å
286N36.3Very low42.8Very low154 Ų154141.4 Ų141.482%0.82479%0.789SS**  trans-70.186.6175.1-164.27.7000109.5
287V46.8Very low42.4Very low125 Ų125144.4 Ų144.476%0.75879%0.794SS**  trans-109.2106.2160.4-179.40000106.2C285 I289C285-V287 VanDerWaalsContact C-N 3.33Å; C285-V287 PolarHBondContact O-N 2.95Å; V287-I289 PolarHBondContact O-N 2.96Å; V287-I289 VanDerWaalsContact O-N 3.08Å
288Q42.3Very low42.3Very low181 Ų181141.4 Ų141.485%0.84679%0.792SS**  trans-38107.9-176.3-76.7169.3-26.600113.3G290Q288-G290 PolarHBondContact O-N 3.4Å
289I43.3Very low42.2Very low164 Ų164137.9 Ų137.984%0.84179%0.79SS**  trans-83.890.4162.9-61.7175.2000106.8V287 S291V287-I289 PolarHBondContact O-N 2.96Å; V287-I289 VanDerWaalsContact O-N 3.08Å; I289-S291 PolarHBondContact O-N 3.42Å; I289-S291 VanDerWaalsContact O-N 3.12Å
290G39.5Very low42.5Very low75 Ų75141 Ų14177%0.77379%0.794SS**  trans-70.895.9166.100000110Q288Q288-G290 PolarHBondContact O-N 3.4Å
291S39.4Very low42.7Very low103 Ų103141.1 Ų141.172%0.7279%0.792SS**  trans-65131.4168.973.80000111I289I289-S291 PolarHBondContact O-N 3.42Å; I289-S291 VanDerWaalsContact O-N 3.12Å
292S44.2Very low42.7Very low120 Ų120137.7 Ų137.784%0.83979%0.793SS**  trans-158.5107.8156.5-71.30000108.5
293K44Very low42.9Very low202 Ų202136.6 Ų136.688%0.87879%0.791SS**  trans-52139.2169.8-71162.5168.5170.50111.5
294T45.2Very low43.1Very low135 Ų135136.8 Ų136.883%0.82879%0.79SS**  trans165.3105.9132.346.80000106.5
295S39.2Very low43.4Very low112 Ų112134 Ų13478%0.78379%0.785SS**  83.8112.690.1-175.80000112.4
296S37.8Very low43.3Very low89 Ų89131.1 Ų131.162%0.62278%0.777SS**  trans62.7137.4155.9-152.90000118.7
297E40.6Very low43.6Very low165 Ų165128.6 Ų128.677%0.77177%0.772SS**  trans69.689160.6-66.3147.8-129.100118.2
298N44.3Very low43.2Very low148 Ų148129.4 Ų129.479%0.79178%0.777SS**  trans-138.666.2148-85.4-46.7000110.1L300N298-L300 VanDerWaalsContact C-N 3.31Å; N298-L300 PolarHBondContact O-N 2.98Å
299L41Very low43.1Very low162 Ų162126.4 Ų126.485%0.84877%0.77SS**  trans-77.582.3158.6-168.983.2000107.4
300L47Very low43Very low149 Ų149124.1 Ų124.178%0.7877%0.769SS**  trans-102.985.8173.7-74.1173.4000109.9N298 A302N298-L300 VanDerWaalsContact C-N 3.31Å; N298-L300 PolarHBondContact O-N 2.98Å; L300-A302 PolarHBondContact O-N 3.1Å
301V47.6Very low43.2Very low109 Ų109129.6 Ų129.666%0.66178%0.775SS**  trans-62.6122.1160.8169.60000108.2T303V301-T303 PolarHBondContact O-N 3.08Å
302A42.6Very low43.3Very low97 Ų97132.5 Ų132.580%0.80278%0.782SS**  trans-7291.6172.600000109.9L300 I304L300-A302 PolarHBondContact O-N 3.1Å; A302-I304 PolarHBondContact O-N 3.32Å
303T47Very low43.5Very low110 Ų110132.8 Ų132.868%0.67578%0.779SS**  trans-79.1116.4167.5-57.40000109.1V301 V305V301-T303 PolarHBondContact O-N 3.08Å; T303-V305 PolarHBondContact O-N 3.43Å; T303-V305 VanDerWaalsContact O-N 3.07Å
304I51.9Low43.4Very low163 Ų163129.3 Ų129.384%0.83677%0.774SS**  trans-63.5104.7171.9-65.1168.2000108.2A302 G306A302-I304 PolarHBondContact O-N 3.32Å; I304-G306 PolarHBondContact O-N 2.95Å
305V48.9Very low43.3Very low123 Ų123130.1 Ų130.175%0.74577%0.774SS**  trans-81.3108.9169.2176.40000107.8T303 S307T303-V305 PolarHBondContact O-N 3.43Å; T303-V305 VanDerWaalsContact O-N 3.07Å; V305-S307 PolarHBondContact O-N 3.35Å; V305-S307 VanDerWaalsContact O-N 3.15Å
306G41Very low43.9Very low67 Ų67133.2 Ų133.269%0.69178%0.776SS**  trans-59.8111170.600000110.7I304I304-G306 PolarHBondContact O-N 2.95Å
307S41.5Very low44.2Very low102 Ų102135.4 Ų135.471%0.71379%0.785SS**  trans-82.7116.3175.9-1600000109.7V305 V309V305-S307 PolarHBondContact O-N 3.35Å; V305-S307 VanDerWaalsContact O-N 3.15Å; S307-V309 PolarHBondContact O-N 3.16Å
308T38.8Very low44.7Very low142 Ų142131.7 Ų131.787%0.87178%0.775SS**  trans-85.49317040.70000108.8
309V40.5Very low44.9Very low117 Ų117132.7 Ų132.771%0.70977%0.772SS**  trans-128.296.2171.6177.50000108.7S307S307-V309 PolarHBondContact O-N 3.16Å
310S41.4Very low45.4Very low117 Ų117130.6 Ų130.682%0.81877%0.766SS**  trans-172.278.6150.4-890000109.9
311Q42.6Very low45.7Very low190 Ų190127.7 Ų127.789%0.88876%0.759SS**  trans-107.7100.1152.4-81.9-177.7-12.900106.5
312N43.2Very low46Very low163 Ų163125.4 Ų125.487%0.87275%0.745SS**  trans179.768.9153.7-89.8-14000107.4
313V46.6Very low46.5Very low127 Ų127125.3 Ų125.377%0.7773%0.73SS**  trans-110.7104.3162.2179.10000106.3N315V313-N315 PolarHBondContact O-N 2.88Å
314T41.7Very low47Very low128 Ų128124.3 Ų124.379%0.78572%0.724SS**  trans-60.5118.2171.3-40.60000108.1Q316T314-Q316 PolarHBondContact O-N 2.86Å
315N44.3Very low47.4Very low153 Ų153122.8 Ų122.882%0.81871%0.713SS**  trans-63.693175.5-69.6-41.2000110V313V313-N315 PolarHBondContact O-N 2.88Å
316Q51.6Low48Very low177 Ų177125 Ų12583%0.82771%0.708SS**  trans-87.1111.6150.7-73.4-165.735.500107.1T314 P318T314-Q316 PolarHBondContact O-N 2.86Å; Q316-P318 VanDerWaalsContact O-CD 3.23Å; Q316-P318 WeakPolarHBondContact O-CD 3.36Å
317V45.1Very low49.3Very low135 Ų135125.8 Ų125.882%0.81870%0.696SS**  trans-56.2115.1175.7175.90000108.8
318P50.8Low50.9Low86 Ų86127 Ų12756%0.55869%0.691SS**  trans-71.8131.9175.7-11.727.6000109.3Q316 V320Q316-P318 VanDerWaalsContact O-CD 3.23Å; Q316-P318 WeakPolarHBondContact O-CD 3.36Å; P318-V320 PolarHBondContact O-N 3.43Å
319K49.1Very low52.8Low169 Ų169125.3 Ų125.374%0.73568%0.676SS**  trans-52.3123.7169.7-75.6173.7174.4175.80109.7S321 T322K319-S321 PolarHBondContact O-N 3.12Å; K319-T322 PolarHBondContact O-N 3.44Å; K319-T322 VanDerWaalsContact O-N 3.07Å; K319-T322 PolarHBondContact O-OG1 3.39Å
320V50.2Low54.7Low118 Ų118124.6 Ų124.672%0.71567%0.666SS**THydrogen-bonded Turntrans-54.4-20.9-175.7172.50000113.9P318 T322P318-V320 PolarHBondContact O-N 3.43Å; V320-T322 VanDerWaalsContact C-N 3.27Å; V320-T322 PolarHBondContact O-N 2.89Å
321S53Low56.7Low89 Ų89123.7 Ų123.762%0.62266%0.655SS**Hα-helixtrans-69-19.4176.658.10000114.6K319K319-S321 PolarHBondContact O-N 3.12Å
322T54.3Low58.7Low61 Ų61118.2 Ų118.237%0.37464%0.638SS.*Hα-helixtrans-88.3-12.9-175.9-10.80000113.9K319 V320K319-T322 PolarHBondContact O-N 3.44Å; K319-T322 VanDerWaalsContact O-N 3.07Å; K319-T322 PolarHBondContact O-OG1 3.39Å; V320-T322 VanDerWaalsContact C-N 3.27Å; V320-T322 PolarHBondContact O-N 2.89Å
323I53.8Low60.9Low94 Ų94117 Ų11748%0.48263%0.628SS.*Hα-helixtrans-83.2-41.2-177.5-63173.5000110Q325 R326 D327I323-Q325 PolarHBondContact O-N 2.97Å; I323-R326 PolarHBondContact O-N 2.96Å; I323-D327 PolarHBondContact O-N 3.43Å
324V57.2Low62.9Low90 Ų90116.5 Ų116.555%0.54562%0.62SS.*Hα-helixtrans-65.8-39.3179.1-176.30000112.3R326 D327 E328V324-R326 VanDerWaalsContact C-N 3.29Å; V324-R326 PolarHBondContact O-N 3.26Å; V324-D327 PolarHBondContact O-N 3.04Å; V324-E328 PolarHBondContact O-N 3.48Å
325Q59.3Low65.2Low131 Ų131113.3 Ų113.361%0.61261%0.607SS**Hα-helixtrans-67.8-26.2175.3-79.7-174.3-16.900113.6I323 N329I323-Q325 PolarHBondContact O-N 2.97Å; Q325-N329 PolarHBondContact O-N 2.66Å
326R62.1Low67.5Low170 Ų170109 Ų10964%0.64259%0.588SS**Hα-helixtrans-71.1-37.8175.1-99.7-170.8174.284.8-0.9111.5I323 V324 N329 M330I323-R326 PolarHBondContact O-N 2.96Å; V324-R326 VanDerWaalsContact C-N 3.29Å; V324-R326 PolarHBondContact O-N 3.26Å; R326-N329 PolarHBondContact O-N 2.94Å; R326-M330 WeakPolarHBondContact O-CG 3.35Å; R326-M330 PolarHBondContact O-N 3.15Å; R326-M330 VanDerWaalsContact O-N 3.09Å
327D68.1Low69.4Low83 Ų83102.1 Ų102.144%0.44456%0.562SS.*Hα-helixtrans-69.3-40.1-178.4-68.1-20.6000111.8I323 V324 N329 M330 V331I323-D327 PolarHBondContact O-N 3.43Å; V324-D327 PolarHBondContact O-N 3.04Å; D327-N329 PolarHBondContact O-N 3.33Å; D327-M330 PolarHBondContact O-N 3.45Å; D327-M330 WeakPolarHBondContact OD1-CE 3.28Å; D327-V331 WeakPolarHBondContact O-CG2 3.47Å; D327-V331 PolarHBondContact O-N 2.81Å
328E75Confident71.8Confident128 Ų128103.5 Ų103.560%0.59856%0.557SS**Hα-helixtrans-63.4-39.1175.7-70.8-17817200112.9V324 V331 S332V324-E328 PolarHBondContact O-N 3.48Å; E328-V331 PolarHBondContact O-N 2.92Å; E328-S332 PolarHBondContact O-N 3.06Å; E328-S332 VanDerWaalsContact O-N 3.13Å; E328-S332 PolarHBondContact O-OG 3.19Å
329N78.7Confident73.8Confident105 Ų105101.9 Ų101.956%0.56155%0.551SS**Hα-helixtrans-66.5-41.8175.6-76.3-11.1000111.9Q325 R326 D327 V331 S332 E333Q325-N329 PolarHBondContact O-N 2.66Å; R326-N329 PolarHBondContact O-N 2.94Å; D327-N329 PolarHBondContact O-N 3.33Å; N329-V331 VanDerWaalsContact C-N 3.35Å; N329-V331 PolarHBondContact O-N 2.93Å; N329-S332 PolarHBondContact O-N 2.98Å; N329-E333 WeakPolarHBondContact O-CG 3.28Å; N329-E333 PolarHBondContact O-N 3.46Å
330M80.2Confident75.9Confident102 Ų10299.4 Ų99.450%0.50254%0.542SS..Hα-helixtrans-65.2-36.6176.8-70.9-164.6-52.500112.7R326 D327 S332 E333 L334R326-M330 WeakPolarHBondContact O-CG 3.35Å; R326-M330 PolarHBondContact O-N 3.15Å; R326-M330 VanDerWaalsContact O-N 3.09Å; D327-M330 PolarHBondContact O-N 3.45Å; D327-M330 WeakPolarHBondContact OD1-CE 3.28Å; M330-S332 VanDerWaalsContact C-N 3.33Å; M330-E333 PolarHBondContact O-N 3.03Å; M330-L334 WeakPolarHBondContact O-CB 3.44Å; M330-L334 WeakPolarHBondContact O-CG 3.42Å; M330-L334 PolarHBondContact O-N 2.91Å
331V84.3Confident77.9Confident98 Ų9897.7 Ų97.759%0.59453%0.528SS*.Hα-helixtrans-65.3-39.8175.81730000110.7D327 E328 N329 L334 A335D327-V331 WeakPolarHBondContact O-CG2 3.47Å; D327-V331 PolarHBondContact O-N 2.81Å; E328-V331 PolarHBondContact O-N 2.92Å; N329-V331 VanDerWaalsContact C-N 3.35Å; N329-V331 PolarHBondContact O-N 2.93Å; V331-L334 PolarHBondContact O-N 3.43Å; V331-A335 WeakPolarHBondContact O-CB 3.46Å; V331-A335 PolarHBondContact O-N 3.45Å
332S85.1Confident79.9Confident76 Ų7696.1 Ų96.153%0.53152%0.52SS..Hα-helixtrans-67.6-41.6176.9-58.50000112.1E328 N329 M330 A335 S336E328-S332 PolarHBondContact O-N 3.06Å; E328-S332 VanDerWaalsContact O-N 3.13Å; E328-S332 PolarHBondContact O-OG 3.19Å; N329-S332 PolarHBondContact O-N 2.98Å; M330-S332 VanDerWaalsContact C-N 3.33Å; S332-A335 PolarHBondContact O-N 3.18Å; S332-S336 WeakPolarHBondContact O-CB 3.29Å; S332-S336 PolarHBondContact O-N 2.94Å
333E87.8Confident81.8Confident138 Ų13898.7 Ų98.765%0.64553%0.531SS*.Hα-helixtrans-64.2-41.3173.9-74.4179.7-168.700112N329 M330 S336 A337N329-E333 WeakPolarHBondContact O-CG 3.28Å; N329-E333 PolarHBondContact O-N 3.46Å; M330-E333 PolarHBondContact O-N 3.03Å; E333-S336 PolarHBondContact O-N 2.7Å; E333-A337 WeakPolarHBondContact O-CB 3.38Å; E333-A337 PolarHBondContact O-N 3.02Å
334L89.1Confident83.7Confident115 Ų11599.2 Ų99.260%0.60253%0.534SS*.Hα-helixtrans-64.5-40.8174.9-82.9168.6000112.3M330 V331 A337 K338M330-L334 WeakPolarHBondContact O-CB 3.44Å; M330-L334 WeakPolarHBondContact O-CG 3.42Å; M330-L334 PolarHBondContact O-N 2.91Å; V331-L334 PolarHBondContact O-N 3.43Å; L334-A337 PolarHBondContact O-N 3.39Å; L334-K338 VanDerWaalsContact O-CB 3.31Å; L334-K338 WeakPolarHBondContact O-CB 3.27Å; L334-K338 PolarHBondContact O-N 2.96Å
335A90.3Very high85.4Confident62 Ų62100.1 Ų100.151%0.51254%0.536SS..Hα-helixtrans-63.5-42.817500000111.4V331 S332 K338 A339V331-A335 WeakPolarHBondContact O-CB 3.46Å; V331-A335 PolarHBondContact O-N 3.45Å; S332-A335 PolarHBondContact O-N 3.18Å; A335-K338 PolarHBondContact O-N 3.49Å; A335-A339 PolarHBondContact O-N 3.45Å
336S92.3Very high87Confident61 Ų61100.1 Ų100.143%0.42754%0.536SS..Hα-helixtrans-62.6-46.7174.8-173.90000112S332 E333 K338 A339 Q340S332-S336 WeakPolarHBondContact O-CB 3.29Å; S332-S336 PolarHBondContact O-N 2.94Å; E333-S336 PolarHBondContact O-N 2.7Å; S336-K338 VanDerWaalsContact C-N 3.33Å; S336-K338 PolarHBondContact O-N 3.45Å; S336-A339 PolarHBondContact O-N 3.1Å; S336-Q340 WeakPolarHBondContact O-CG 3.49Å; S336-Q340 PolarHBondContact O-N 2.99Å
337A92.5Very high88.6Confident34 Ų3496.6 Ų96.628%0.28153%0.529SS..Hα-helixtrans-61.6-40.1176.500000111.9E333 L334 Q340 I341E333-A337 WeakPolarHBondContact O-CB 3.38Å; E333-A337 PolarHBondContact O-N 3.02Å; L334-A337 PolarHBondContact O-N 3.39Å; A337-Q340 PolarHBondContact O-N 3.04Å; A337-I341 VanDerWaalsContact O-CG1 3.31Å; A337-I341 WeakPolarHBondContact O-CG1 3.48Å; A337-I341 PolarHBondContact O-N 3.39Å
338K94Very high89.7Confident164 Ų16497.5 Ų97.571%0.71353%0.534SS*.Hα-helixtrans-64.5-39.7176-168.9177.1-177.9-178.10111.9L334 A335 S336 I341 A342L334-K338 VanDerWaalsContact O-CB 3.31Å; L334-K338 WeakPolarHBondContact O-CB 3.27Å; L334-K338 PolarHBondContact O-N 2.96Å; A335-K338 PolarHBondContact O-N 3.49Å; S336-K338 VanDerWaalsContact C-N 3.33Å; S336-K338 PolarHBondContact O-N 3.45Å; K338-I341 PolarHBondContact O-N 3.25Å; K338-A342 PolarHBondContact O-N 3.1Å
339A93.9Very high90.7Very high51 Ų5197.7 Ų97.742%0.42153%0.532SS..Hα-helixtrans-65.4-40.717400000111.9A335 S336 A342 N343A335-A339 PolarHBondContact O-N 3.45Å; S336-A339 PolarHBondContact O-N 3.1Å; A339-A342 PolarHBondContact O-N 3.02Å; A339-N343 PolarHBondContact O-N 3.03Å
340Q93.4Very high91.4Very high118 Ų11895.8 Ų95.855%0.55153%0.525SS*.Hα-helixtrans-62.9-42.5174.7-70.2178.622.800112S336 A337 N343 L344S336-Q340 WeakPolarHBondContact O-CG 3.49Å; S336-Q340 PolarHBondContact O-N 2.99Å; A337-Q340 PolarHBondContact O-N 3.04Å; Q340-N343 PolarHBondContact O-N 3.28Å; Q340-L344 WeakPolarHBondContact O-CG 3.47Å; Q340-L344 PolarHBondContact O-N 3.46Å
341I92.3Very high92Very high82 Ų8295.8 Ų95.842%0.42153%0.526SS..Hα-helixtrans-62-43.9175.4-69.4166.2000110.8A337 K338 N343 L344 L345A337-I341 VanDerWaalsContact O-CG1 3.31Å; A337-I341 WeakPolarHBondContact O-CG1 3.48Å; A337-I341 PolarHBondContact O-N 3.39Å; K338-I341 PolarHBondContact O-N 3.25Å; I341-N343 VanDerWaalsContact C-N 3.33Å; I341-N343 PolarHBondContact O-N 3.09Å; I341-L344 PolarHBondContact O-N 3.42Å; I341-L345 HydrophobicContact CG2-CD1 4.08Å; I341-L345 HydrophobicContact CG2-CG 4.42Å; I341-L345 WeakPolarHBondContact O-CG 3.42Å; I341-L345 PolarHBondContact O-N 2.96Å
342A94Very high92.4Very high55 Ų5594.7 Ų94.746%0.45552%0.523SS..Hα-helixtrans-60.7-41.9176.700000112.2K338 A339 L345 H346K338-A342 PolarHBondContact O-N 3.1Å; A339-A342 PolarHBondContact O-N 3.02Å; A342-L345 PolarHBondContact O-N 3.44Å; A342-H346 PolarHBondContact O-N 3.38Å
343N93.7Very high92.9Very high115 Ų11596.4 Ų96.462%0.61552%0.522SS*.Hα-helixtrans-64.3-42.8175.8-72-16.3000112.3A339 Q340 I341 L345 H346 L347A339-N343 PolarHBondContact O-N 3.03Å; Q340-N343 PolarHBondContact O-N 3.28Å; I341-N343 VanDerWaalsContact C-N 3.33Å; I341-N343 PolarHBondContact O-N 3.09Å; N343-L345 VanDerWaalsContact C-N 3.35Å; N343-L345 PolarHBondContact O-N 2.88Å; N343-H346 PolarHBondContact O-N 2.97Å; N343-L347 WeakPolarHBondContact O-CB 3.48Å; N343-L347 PolarHBondContact O-N 3.18Å
344L93.7Very high93.1Very high105 Ų10592.9 Ų92.955%0.5551%0.513SS..Hα-helixtrans-65.1-37.3176.5-73.2172.7000112.2Q340 I341 L347 N348Q340-L344 WeakPolarHBondContact O-CG 3.47Å; Q340-L344 PolarHBondContact O-N 3.46Å; I341-L344 PolarHBondContact O-N 3.42Å; L344-L347 PolarHBondContact O-N 2.61Å; L344-N348 WeakPolarHBondContact O-CB 3.48Å; L344-N348 PolarHBondContact O-N 3.34Å
345L94.3Very high93Very high110 Ų11091 Ų9158%0.57651%0.51SS*.Hα-helixtrans-65.1-42.5174.3-72.7173.1000111.8I341 A342 N343 N348 K349I341-L345 HydrophobicContact CG2-CD1 4.08Å; I341-L345 HydrophobicContact CG2-CG 4.42Å; I341-L345 WeakPolarHBondContact O-CG 3.42Å; I341-L345 PolarHBondContact O-N 2.96Å; A342-L345 PolarHBondContact O-N 3.44Å; N343-L345 VanDerWaalsContact C-N 3.35Å; N343-L345 PolarHBondContact O-N 2.88Å; L345-N348 PolarHBondContact O-N 3.43Å; L345-K349 PolarHBondContact O-N 2.75Å
346H93.2Very high93.2Very high131 Ų13192.6 Ų92.661%0.60651%0.506SS*.Hα-helixtrans-61.8-46.2174.3-176-80.3000111.4A342 N343 N348 K349 T350A342-H346 PolarHBondContact O-N 3.38Å; N343-H346 PolarHBondContact O-N 2.97Å; H346-N348 PolarHBondContact O-N 2.93Å; H346-K349 WeakPolarHBondContact O-CB 3.35Å; H346-K349 PolarHBondContact O-N 3.38Å; H346-T350 PolarHBondContact O-N 3.37Å; H346-T350 PolarHBondContact O-OG1 2.92Å
347L94.6Very high93.3Very high95 Ų9596.3 Ų96.350%0.49752%0.515SS..Hα-helixtrans-61-43.8177.8-174.966.7000112.1N343 L344 K349 T350 L351N343-L347 WeakPolarHBondContact O-CB 3.48Å; N343-L347 PolarHBondContact O-N 3.18Å; L344-L347 PolarHBondContact O-N 2.61Å; L347-K349 VanDerWaalsContact C-N 3.31Å; L347-K349 PolarHBondContact O-N 2.85Å; L347-T350 PolarHBondContact O-N 3.34Å; L347-L351 HydrophobicContact CG-CD1 4.24Å; L347-L351 WeakPolarHBondContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.29Å; L347-L351 PolarHBondContact O-N 3.47Å
348N91Very high93.2Very high102 Ų102101 Ų10155%0.54553%0.532SS..Hα-helixtrans-61.8-38.6175.3-85.6-22.1000112.2L344 L345 H346 L351 S352L344-N348 WeakPolarHBondContact O-CB 3.48Å; L344-N348 PolarHBondContact O-N 3.34Å; L345-N348 PolarHBondContact O-N 3.43Å; H346-N348 PolarHBondContact O-N 2.93Å; N348-L351 PolarHBondContact O-N 3.34Å; N348-S352 WeakPolarHBondContact O-CB 3.23Å; N348-S352 PolarHBondContact O-N 3.24Å
349K96.2Very high93.2Very high132 Ų13299 Ų9957%0.57452%0.524SS*.Hα-helixtrans-62.5-48174.6-174.7-179.9175.9-174.70111.2L345 H346 L347 L351 S352 E353L345-K349 PolarHBondContact O-N 2.75Å; H346-K349 WeakPolarHBondContact O-CB 3.35Å; H346-K349 PolarHBondContact O-N 3.38Å; L347-K349 VanDerWaalsContact C-N 3.31Å; L347-K349 PolarHBondContact O-N 2.85Å; K349-L351 PolarHBondContact O-N 3.22Å; K349-S352 WeakPolarHBondContact O-CB 3.31Å; K349-S352 PolarHBondContact O-N 2.99Å; K349-E353 WeakPolarHBondContact CE-OE1 3.39Å; K349-E353 WeakPolarHBondContact O-CG 3.23Å; K349-E353 PolarHBondContact O-N 2.88Å
350T94.2Very high93.3Very high66 Ų66103 Ų10341%0.40553%0.532SS..Hα-helixtrans-61.7-40.8177-53.20000112.3H346 L347 E353 S354H346-T350 PolarHBondContact O-N 3.37Å; H346-T350 PolarHBondContact O-OG1 2.92Å; L347-T350 PolarHBondContact O-N 3.34Å; T350-E353 PolarHBondContact O-N 2.87Å; T350-S354 WeakPolarHBondContact O-CB 3.34Å; T350-S354 PolarHBondContact O-N 3.09Å
351L91.7Very high93.2Very high102 Ų102101.5 Ų101.553%0.53453%0.527SS..Hα-helixtrans-64.4-40175.2-75.4171.1000112L347 N348 K349 S354 S355L347-L351 HydrophobicContact CG-CD1 4.24Å; L347-L351 WeakPolarHBondContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.29Å; L347-L351 PolarHBondContact O-N 3.47Å; N348-L351 PolarHBondContact O-N 3.34Å; K349-L351 PolarHBondContact O-N 3.22Å; L351-S354 PolarHBondContact O-N 3.1Å; L351-S355 WeakPolarHBondContact O-CB 3.21Å; L351-S355 PolarHBondContact O-N 2.97Å
352S94Very high93.1Very high74 Ų74102.4 Ų102.452%0.51753%0.526SS..Hα-helixtrans-63.2-44.3176.2-170.20000111.8N348 K349 S355 E356N348-S352 WeakPolarHBondContact O-CB 3.23Å; N348-S352 PolarHBondContact O-N 3.24Å; K349-S352 WeakPolarHBondContact O-CB 3.31Å; K349-S352 PolarHBondContact O-N 2.99Å; S352-S355 PolarHBondContact O-N 3.39Å; S352-E356 PolarHBondContact O-N 3.1Å
353E94.3Very high93.1Very high112 Ų112104.1 Ų104.152%0.52353%0.525SS..Hα-helixtrans-64.8-41.6176.8-71.2170.7-175.500111.7K349 T350 S355 E356 K357K349-E353 WeakPolarHBondContact CE-OE1 3.39Å; K349-E353 WeakPolarHBondContact O-CG 3.23Å; K349-E353 PolarHBondContact O-N 2.88Å; T350-E353 PolarHBondContact O-N 2.87Å; E353-S355 PolarHBondContact O-N 3.49Å; E353-E356 PolarHBondContact O-N 3.34Å; E353-K357 WeakPolarHBondContact O-CB 3.43Å; E353-K357 PolarHBondContact O-N 3.45Å
354S91.6Very high93.1Very high64 Ų64103 Ų10345%0.44852%0.518SS..Hα-helixtrans-63.7-39.4175.1-174.30000112.3T350 L351 K357 M358T350-S354 WeakPolarHBondContact O-CB 3.34Å; T350-S354 PolarHBondContact O-N 3.09Å; L351-S354 PolarHBondContact O-N 3.1Å; S354-K357 PolarHBondContact O-N 3.5Å; S354-M358 PolarHBondContact O-N 3.35Å
355S88.4Confident93Very high76 Ų76103.6 Ų103.653%0.53152%0.52SS..Hα-helixtrans-64.8-43.8176.9-174.60000111.6L351 S352 E353 M358 K359L351-S355 WeakPolarHBondContact O-CB 3.21Å; L351-S355 PolarHBondContact O-N 2.97Å; S352-S355 PolarHBondContact O-N 3.39Å; E353-S355 PolarHBondContact O-N 3.49Å; S355-M358 PolarHBondContact O-N 3.04Å; S355-K359 WeakPolarHBondContact O-CB 3.32Å; S355-K359 PolarHBondContact O-N 2.86Å
356E94.1Very high92.9Very high95 Ų95101.4 Ų101.444%0.44451%0.505SS..Hα-helixtrans-65.8-37.2176.4-80.7-62.7131.500112.3S352 E353 K359 K360S352-E356 PolarHBondContact O-N 3.1Å; E353-E356 PolarHBondContact O-N 3.34Å; E356-K359 PolarHBondContact O-N 3.37Å; E356-K360 WeakPolarHBondContact O-CG 3.38Å; E356-K360 PolarHBondContact O-N 3.46Å; E356-K360 VanDerWaalsContact O-N 3.08Å
357K93.9Very high93Very high140 Ų140102.3 Ų102.361%0.60951%0.507SS*.Hα-helixtrans-61.3-49.5173-174.3-177.5176.3-173.60111.4E353 S354 K359 K360 D361E353-K357 WeakPolarHBondContact O-CB 3.43Å; E353-K357 PolarHBondContact O-N 3.45Å; S354-K357 PolarHBondContact O-N 3.5Å; K357-K359 VanDerWaalsContact C-N 3.26Å; K357-K359 PolarHBondContact O-N 3.08Å; K357-K360 WeakPolarHBondContact O-CB 3.33Å; K357-K360 PolarHBondContact O-N 3.02Å; K357-K360 VanDerWaalsContact O-N 3.1Å; K357-D361 PolarHBondContact O-N 2.84Å
358M89.7Confident93Very high131 Ų131104 Ų10465%0.64551%0.511SS*.Hα-helixtrans-61.4-36.2179.9-167177.3-63.700112.2S354 S355 D361 Y362S354-M358 PolarHBondContact O-N 3.35Å; S355-M358 PolarHBondContact O-N 3.04Å; M358-D361 PolarHBondContact O-N 3.23Å; M358-Y362 WeakPolarHBondContact O-CB 3.18Å; M358-Y362 PolarHBondContact O-N 3.03Å
359K95.3Very high92.9Very high123 Ų123101 Ų10154%0.53549%0.494SS..Hα-helixtrans-63.8-42.8174-170.8179177.2-174.40112.2S355 E356 K357 Y362 E363S355-K359 WeakPolarHBondContact O-CB 3.32Å; S355-K359 PolarHBondContact O-N 2.86Å; E356-K359 PolarHBondContact O-N 3.37Å; K357-K359 VanDerWaalsContact C-N 3.26Å; K357-K359 PolarHBondContact O-N 3.08Å; K359-Y362 PolarHBondContact O-N 2.97Å; K359-E363 WeakPolarHBondContact O-CG 3.39Å; K359-E363 PolarHBondContact O-N 2.69Å; K359-E363 VanDerWaalsContact O-N 3.12Å
360K95.7Very high92.7Very high136 Ų13699.5 Ų99.559%0.59149%0.491SS*.Hα-helixtrans-64.5-42.5174.8-71.9176.8-178.2177.50112.1E356 K357 Y362 E363 I364E356-K360 WeakPolarHBondContact O-CG 3.38Å; E356-K360 PolarHBondContact O-N 3.46Å; E356-K360 VanDerWaalsContact O-N 3.08Å; K357-K360 WeakPolarHBondContact O-CB 3.33Å; K357-K360 PolarHBondContact O-N 3.02Å; K357-K360 VanDerWaalsContact O-N 3.1Å; K360-Y362 VanDerWaalsContact C-N 3.32Å; K360-Y362 PolarHBondContact O-N 3.48Å; K360-E363 PolarHBondContact O-N 3.27Å; K360-I364 WeakPolarHBondContact O-CG1 3.43Å; K360-I364 PolarHBondContact O-N 2.93Å
361D91.1Very high92.7Very high85 Ų85102.7 Ų102.746%0.45550%0.501SS..Hα-helixtrans-63.1-39.4178.3-68.4-20.4000111.4K357 M358 I364 M365K357-D361 PolarHBondContact O-N 2.84Å; M358-D361 PolarHBondContact O-N 3.23Å; D361-I364 PolarHBondContact O-N 3.44Å; D361-M365 WeakPolarHBondContact O-CB 3.47Å; D361-M365 PolarHBondContact O-N 2.99Å
362Y90.1Very high92.6Very high102 Ų102103.9 Ų103.940%0.450%0.504SS..Hα-helixtrans-62.2-45.2174.1-179.7-97.9000112.5M358 K359 K360 I364 M365 K366 V491M358-Y362 WeakPolarHBondContact O-CB 3.18Å; M358-Y362 PolarHBondContact O-N 3.03Å; K359-Y362 PolarHBondContact O-N 2.97Å; K360-Y362 VanDerWaalsContact C-N 3.32Å; K360-Y362 PolarHBondContact O-N 3.48Å; Y362-I364 VanDerWaalsContact C-N 3.33Å; Y362-I364 PolarHBondContact O-N 3.34Å; Y362-M365 PolarHBondContact O-N 3.33Å; Y362-K366 WeakPolarHBondContact O-CB 3.46Å; Y362-K366 PolarHBondContact O-N 3.1Å; Y362-V491 WeakPolarHBondContact OH-CG1 3.34Å
363E94Very high92.5Very high91 Ų91103.4 Ų103.443%0.42549%0.494SS..Hα-helixtrans-63.3-38177.1-71.5-60.814900112.5K359 K360 K367K359-E363 WeakPolarHBondContact O-CG 3.39Å; K359-E363 PolarHBondContact O-N 2.69Å; K359-E363 VanDerWaalsContact O-N 3.12Å; K360-E363 PolarHBondContact O-N 3.27Å; E363-K367 WeakPolarHBondContact O-CG 3.47Å; E363-K367 PolarHBondContact O-N 2.97Å; E363-K367 VanDerWaalsContact O-N 3.09Å
364I93.4Very high92.4Very high91 Ų91100.7 Ų100.747%0.46749%0.491SS..Hα-helixtrans-65-45.1174.6-67.8166.9000110.5K360 D361 Y362 K367 K368K360-I364 WeakPolarHBondContact O-CG1 3.43Å; K360-I364 PolarHBondContact O-N 2.93Å; D361-I364 PolarHBondContact O-N 3.44Å; Y362-I364 VanDerWaalsContact C-N 3.33Å; Y362-I364 PolarHBondContact O-N 3.34Å; I364-K367 PolarHBondContact O-N 3.4Å; I364-K368 PolarHBondContact O-N 2.99Å; I364-K368 VanDerWaalsContact O-N 3.1Å
365M92.3Very high92.5Very high118 Ų118101 Ų10158%0.58149%0.485SS*.Hα-helixtrans-61.2-44.4177.7-174.1178.9-68.200111.4D361 Y362 K367 K368 M369D361-M365 WeakPolarHBondContact O-CB 3.47Å; D361-M365 PolarHBondContact O-N 2.99Å; Y362-M365 PolarHBondContact O-N 3.33Å; M365-K367 PolarHBondContact O-N 3.19Å; M365-K368 PolarHBondContact O-N 3.36Å; M365-M369 PolarHBondContact O-N 3.38Å
366K92Very high92.6Very high63 Ų63102 Ų10227%0.27448%0.483SS..Hα-helixtrans-59-43.7176.8-170.2177.7-173.7175.30112.1Y362 K368 M369 I370 E495Y362-K366 WeakPolarHBondContact O-CB 3.46Å; Y362-K366 PolarHBondContact O-N 3.1Å; K366-K368 PolarHBondContact O-N 3.05Å; K366-M369 PolarHBondContact O-N 3.36Å; K366-I370 HydrophobicContact CG-CD1 4.26Å; K366-I370 WeakPolarHBondContact O-CG1 3.5Å; K366-I370 PolarHBondContact O-N 2.91Å; K366-I370 VanDerWaalsContact O-N 3.1Å; K366-E495 WeakPolarHBondContact CE-OE1 3.33Å; K366-E495 IonicContact NZ-OE1 3.56Å; K366-E495 PolarHBondContact NZ-OE1 3.28Å
367K95.1Very high92.5Very high150 Ų150101.8 Ų101.865%0.65248%0.482SS*.Hα-helixtrans-61.2-43.3175.3-74.4179.6-178.2-177.10112.3E363 I364 M365 M369 I370 E371E363-K367 WeakPolarHBondContact O-CG 3.47Å; E363-K367 PolarHBondContact O-N 2.97Å; E363-K367 VanDerWaalsContact O-N 3.09Å; I364-K367 PolarHBondContact O-N 3.4Å; M365-K367 PolarHBondContact O-N 3.19Å; K367-M369 PolarHBondContact O-N 3.23Å; K367-I370 PolarHBondContact O-N 3.36Å; K367-E371 PolarHBondContact O-N 3.1Å
368K94.5Very high92.5Very high130 Ų130102.6 Ų102.657%0.56549%0.486SS*.Hα-helixtrans-63.9-38.9177.3-72.4-176.5177.2-173.10112.5I364 M365 K366 E371 Q372I364-K368 PolarHBondContact O-N 2.99Å; I364-K368 VanDerWaalsContact O-N 3.1Å; M365-K368 PolarHBondContact O-N 3.36Å; K366-K368 PolarHBondContact O-N 3.05Å; K368-E371 PolarHBondContact O-N 3.27Å; K368-Q372 WeakPolarHBondContact O-CG 3.44Å; K368-Q372 PolarHBondContact O-N 3.3Å
369M89.3Confident92.6Very high40 Ų40103.1 Ų103.120%0.19748%0.482CS..Hα-helixtrans-61.7-47.3174.5-78-172.367.400112.2M365 K366 K367 E371 Q372 E373 E488M365-M369 PolarHBondContact O-N 3.38Å; K366-M369 PolarHBondContact O-N 3.36Å; K367-M369 PolarHBondContact O-N 3.23Å; M369-E371 VanDerWaalsContact C-N 3.27Å; M369-E371 PolarHBondContact O-N 2.81Å; M369-Q372 PolarHBondContact O-N 3.49Å; M369-E373 WeakPolarHBondContact O-CG 3.41Å; M369-E373 PolarHBondContact O-N 3.3Å; M369-E488 HydrophobicContact CE-CB 4.04Å; M369-E488 HydrophobicContact CE-CG 3.42Å; M369-E488 VanDerWaalsContact CE-CG 3.42Å; M369-E488 VanDerWaalsContact CE-OE1 3.24Å; M369-E488 WeakPolarHBondContact CE-OE1 3.12Å; M369-E488 WeakPolarHBondContact CE-OE2 3.3Å; M369-E488 HydrophobicContact SD-CG 3.6Å
370I92.3Very high92.4Very high101 Ų101102.7 Ų102.752%0.51848%0.482SS..Hα-helixtrans-60.6-40.4178.6-67.1166.4000110.4K366 K367 E373 A374K366-I370 HydrophobicContact CG-CD1 4.26Å; K366-I370 WeakPolarHBondContact O-CG1 3.5Å; K366-I370 PolarHBondContact O-N 2.91Å; K366-I370 VanDerWaalsContact O-N 3.1Å; K367-I370 PolarHBondContact O-N 3.36Å; I370-E373 PolarHBondContact O-N 2.99Å; I370-A374 WeakPolarHBondContact O-CB 3.43Å; I370-A374 PolarHBondContact O-N 2.77Å
371E93.2Very high92.1Very high132 Ų132104 Ų10462%0.61748%0.483SS*.Hα-helixtrans-63.8-43.8175.8-171.6174.3-171.600112.2K367 K368 M369 A374 E375K367-E371 PolarHBondContact O-N 3.1Å; K368-E371 PolarHBondContact O-N 3.27Å; M369-E371 VanDerWaalsContact C-N 3.27Å; M369-E371 PolarHBondContact O-N 2.81Å; E371-A374 PolarHBondContact O-N 3.2Å; E371-E375 PolarHBondContact O-N 3.41Å
372Q91.2Very high92.2Very high127 Ų127105.2 Ų105.259%0.59348%0.484SS*.Hα-helixtrans-64.8-40.9175.4-75.1-176.2-14.400112.5K368 M369 A374 E375 I376K368-Q372 WeakPolarHBondContact O-CG 3.44Å; K368-Q372 PolarHBondContact O-N 3.3Å; M369-Q372 PolarHBondContact O-N 3.49Å; Q372-A374 VanDerWaalsContact C-N 3.34Å; Q372-E375 PolarHBondContact O-N 2.91Å; Q372-I376 WeakPolarHBondContact O-CG1 3.37Å; Q372-I376 PolarHBondContact O-N 3.5Å
373E90.7Very high92.1Very high65 Ų65103.7 Ų103.730%0.30449%0.485SS..Hα-helixtrans-62-41.8174.5-76.3177.4-160.100111.7M369 I370 E375 I376 Q377 R492M369-E373 WeakPolarHBondContact O-CG 3.41Å; M369-E373 PolarHBondContact O-N 3.3Å; I370-E373 PolarHBondContact O-N 2.99Å; E373-E375 VanDerWaalsContact C-N 3.32Å; E373-E375 PolarHBondContact O-N 3.08Å; E373-I376 PolarHBondContact O-N 3.19Å; E373-Q377 WeakPolarHBondContact O-CG 3.24Å; E373-Q377 PolarHBondContact O-N 2.8Å; E373-R492 VanDerWaalsContact CD-NH2 3.33Å; E373-R492 IonicContact OE1-CZ 2.86Å; E373-R492 IonicContact OE1-NE 3.93Å; E373-R492 IonicContact OE1-NH2 2.73Å; E373-R492 PolarHBondContact OE1-NH2 3.36Å; E373-R492 IonicContact OE2-NH2 3.09Å
374A93.6Very high91.9Very high55 Ų55102.9 Ų102.946%0.45549%0.487SS..Hα-helixtrans-63-39.1175.500000111.9I370 E371 Q372 Q377 K378I370-A374 WeakPolarHBondContact O-CB 3.43Å; I370-A374 PolarHBondContact O-N 2.77Å; E371-A374 PolarHBondContact O-N 3.2Å; Q372-A374 VanDerWaalsContact C-N 3.34Å; A374-Q377 PolarHBondContact O-N 3.38Å; A374-K378 PolarHBondContact O-N 3.07Å
375E93Very high91.6Very high70 Ų70106.3 Ų106.333%0.32749%0.494SS..Hα-helixtrans-67-44.2176.3-167.8160.2-137.400111.7E371 Q372 E373 Q377 K378 Y379 R451E371-E375 PolarHBondContact O-N 3.41Å; Q372-E375 PolarHBondContact O-N 2.91Å; E373-E375 VanDerWaalsContact C-N 3.32Å; E373-E375 PolarHBondContact O-N 3.08Å; E375-Q377 VanDerWaalsContact C-N 3.33Å; E375-Q377 PolarHBondContact O-N 2.91Å; E375-K378 WeakPolarHBondContact O-CB 3.44Å; E375-K378 PolarHBondContact O-N 3.48Å; E375-K378 VanDerWaalsContact O-N 3.12Å; E375-Y379 HydrophobicContact CG-CD2 4.11Å; E375-Y379 HydrophobicContact CG-CE2 3.91Å; E375-Y379 VanDerWaalsContact O-CD2 3.29Å; E375-Y379 WeakPolarHBondContact O-CD2 3.48Å; E375-Y379 PolarHBondContact O-N 3.45Å; E375-R451 IonicContact OE1-CZ 2.79Å; E375-R451 IonicContact OE1-NH1 3.95Å; E375-R451 PolarHBondContact OE1-NH1 3.48Å; E375-R451 IonicContact OE1-NH2 2.66Å
376I90.5Very high91.3Very high96 Ų96105.2 Ų105.249%0.49249%0.487SS..Hα-helixtrans-59.2-44.3174.2-69166.9000110.9Q372 E373 K378 Y379 Q380Q372-I376 WeakPolarHBondContact O-CG1 3.37Å; Q372-I376 PolarHBondContact O-N 3.5Å; E373-I376 PolarHBondContact O-N 3.19Å; I376-K378 VanDerWaalsContact C-N 3.31Å; I376-K378 PolarHBondContact O-N 3.05Å; I376-Y379 PolarHBondContact O-N 2.78Å; I376-Q380 HydrophobicContact CG2-CG 4.47Å; I376-Q380 WeakPolarHBondContact O-CG 3.14Å; I376-Q380 PolarHBondContact O-N 3.39Å
377Q91.5Very high91Very high92 Ų92106.6 Ų106.643%0.4350%0.497SS..Hα-helixtrans-62.2-38.2175.9-75.3-176.724.800112.2E373 A374 E375 Q380 R381E373-Q377 WeakPolarHBondContact O-CG 3.24Å; E373-Q377 PolarHBondContact O-N 2.8Å; A374-Q377 PolarHBondContact O-N 3.38Å; E375-Q377 VanDerWaalsContact C-N 3.33Å; E375-Q377 PolarHBondContact O-N 2.91Å; Q377-Q380 PolarHBondContact O-N 2.99Å; Q377-R381 VanDerWaalsContact O-CG 3.31Å; Q377-R381 WeakPolarHBondContact O-CG 3.32Å; Q377-R381 PolarHBondContact O-N 2.93Å
378K94Very high90.5Very high156 Ų156104.7 Ų104.768%0.67849%0.491SS*.Hα-helixtrans-62.5-43.7175.8-169.1-179.3178.4-175.60111.1A374 E375 I376 R381 K382A374-K378 PolarHBondContact O-N 3.07Å; E375-K378 WeakPolarHBondContact O-CB 3.44Å; E375-K378 PolarHBondContact O-N 3.48Å; E375-K378 VanDerWaalsContact O-N 3.12Å; I376-K378 VanDerWaalsContact C-N 3.31Å; I376-K378 PolarHBondContact O-N 3.05Å; K378-R381 PolarHBondContact O-N 3.48Å; K378-K382 PolarHBondContact O-N 3.44Å; K378-K382 VanDerWaalsContact O-N 3.1Å
379Y91.6Very high89.9Confident143 Ų143100.9 Ų100.956%0.56148%0.48SS*.Hα-helixtrans-61.9-46.4174.2-85.2-76000112E375 I376 R381 K382 T383E375-Y379 HydrophobicContact CG-CD2 4.11Å; E375-Y379 HydrophobicContact CG-CE2 3.91Å; E375-Y379 VanDerWaalsContact O-CD2 3.29Å; E375-Y379 WeakPolarHBondContact O-CD2 3.48Å; E375-Y379 PolarHBondContact O-N 3.45Å; I376-Y379 PolarHBondContact O-N 2.78Å; Y379-R381 PolarHBondContact O-N 3.27Å; Y379-K382 WeakPolarHBondContact O-CB 3.41Å; Y379-K382 PolarHBondContact O-N 3.32Å; Y379-T383 PolarHBondContact O-N 3Å; Y379-T383 PolarHBondContact O-OG1 2.94Å; Y379-T383 VanDerWaalsContact O-OG1 3.07Å
380Q90.6Very high89.5Confident114 Ų114104.2 Ų104.253%0.53350%0.495SS..Hα-helixtrans-58.8-45177.6-73.5176.2-8.700112.1I376 Q377 K382 T383 V384I376-Q380 HydrophobicContact CG2-CG 4.47Å; I376-Q380 WeakPolarHBondContact O-CG 3.14Å; I376-Q380 PolarHBondContact O-N 3.39Å; Q377-Q380 PolarHBondContact O-N 2.99Å; Q380-K382 VanDerWaalsContact C-N 3.27Å; Q380-K382 PolarHBondContact O-N 2.97Å; Q380-T383 VanDerWaalsContact CA-OG1 3.3Å; Q380-T383 WeakPolarHBondContact CA-OG1 2.81Å; Q380-T383 PolarHBondContact O-N 3.09Å; Q380-T383 PolarHBondContact O-OG1 3.25Å; Q380-V384 WeakPolarHBondContact O-CG2 3.32Å; Q380-V384 PolarHBondContact O-N 3.42Å
381R90.8Very high89.2Confident163 Ų163103.3 Ų103.362%0.61549%0.494SS*.Hα-helixtrans-63.4-30.1175.5-70.7178.6-166.5-1686.5113.1Q377 K378 Y379 R385Q377-R381 VanDerWaalsContact O-CG 3.31Å; Q377-R381 WeakPolarHBondContact O-CG 3.32Å; Q377-R381 PolarHBondContact O-N 2.93Å; K378-R381 PolarHBondContact O-N 3.48Å; Y379-R381 PolarHBondContact O-N 3.27Å; R381-R385 WeakPolarHBondContact O-CG 3.3Å; R381-R385 PolarHBondContact O-N 3.43Å; R381-R385 PolarHBondContact O-NE 3.43Å
382K92.9Very high88.8Confident111 Ų111103 Ų10348%0.48349%0.493SS..Hα-helixtrans-71.5-48.3174.7-170.5177.6178179.20110.4K378 Y379 Q380 V384 R385 E386K378-K382 PolarHBondContact O-N 3.44Å; K378-K382 VanDerWaalsContact O-N 3.1Å; Y379-K382 WeakPolarHBondContact O-CB 3.41Å; Y379-K382 PolarHBondContact O-N 3.32Å; Q380-K382 VanDerWaalsContact C-N 3.27Å; Q380-K382 PolarHBondContact O-N 2.97Å; K382-V384 VanDerWaalsContact C-N 3.35Å; K382-V384 PolarHBondContact O-N 2.92Å; K382-R385 PolarHBondContact O-N 2.97Å; K382-E386 VanDerWaalsContact CE-OE1 3.27Å; K382-E386 WeakPolarHBondContact CE-OE1 3.39Å; K382-E386 WeakPolarHBondContact O-CG 3.29Å; K382-E386 PolarHBondContact O-N 2.92Å
383T88.3Confident88.4Confident69 Ų6999.6 Ų99.642%0.42348%0.48SS..Hα-helixtrans-62.8-36.6177.340.10000113.6Y379 Q380 E386 N387Y379-T383 PolarHBondContact O-N 3Å; Y379-T383 PolarHBondContact O-OG1 2.94Å; Y379-T383 VanDerWaalsContact O-OG1 3.07Å; Q380-T383 VanDerWaalsContact CA-OG1 3.3Å; Q380-T383 WeakPolarHBondContact CA-OG1 2.81Å; Q380-T383 PolarHBondContact O-N 3.09Å; Q380-T383 PolarHBondContact O-OG1 3.25Å; T383-E386 PolarHBondContact O-N 3.19Å; T383-N387 WeakPolarHBondContact O-CB 3.29Å; T383-N387 VanDerWaalsContact O-CG 3.24Å; T383-N387 PolarHBondContact O-N 3.15Å; T383-N387 PolarHBondContact O-ND2 3.24Å
384V88.5Confident88.1Confident75 Ų75104.3 Ų104.346%0.45550%0.497SS..Hα-helixtrans-63.9-45.8175.2170.80000110.6Q380 K382 E386 N387 E388Q380-V384 WeakPolarHBondContact O-CG2 3.32Å; Q380-V384 PolarHBondContact O-N 3.42Å; K382-V384 VanDerWaalsContact C-N 3.35Å; K382-V384 PolarHBondContact O-N 2.92Å; V384-E386 VanDerWaalsContact C-N 3.35Å; V384-E386 PolarHBondContact O-N 3.38Å; V384-N387 PolarHBondContact O-N 3.48Å; V384-E388 HydrophobicContact CG1-CG 4.37Å; V384-E388 WeakPolarHBondContact O-CG 3.33Å; V384-E388 PolarHBondContact O-N 3.01Å
385R87.2Confident87.7Confident162 Ų162104.8 Ų104.861%0.61149%0.492SS*.Hα-helixtrans-62.5-39176.5-78.2-175.1-79.8170.1-6.4112.9R381 K382 E388 C389R381-R385 WeakPolarHBondContact O-CG 3.3Å; R381-R385 PolarHBondContact O-N 3.43Å; R381-R385 PolarHBondContact O-NE 3.43Å; K382-R385 PolarHBondContact O-N 2.97Å; R385-E388 PolarHBondContact O-N 3.41Å; R385-C389 WeakPolarHBondContact O-CB 3.39Å; R385-C389 PolarHBondContact O-N 3.33Å
386E86.5Confident87.4Confident95 Ų95103.5 Ų103.544%0.44448%0.484SS..Hα-helixtrans-64.1-41.8174.8-74.4169.8-175.800111.6K382 T383 V384 C389 Q390K382-E386 VanDerWaalsContact CE-OE1 3.27Å; K382-E386 WeakPolarHBondContact CE-OE1 3.39Å; K382-E386 WeakPolarHBondContact O-CG 3.29Å; K382-E386 PolarHBondContact O-N 2.92Å; T383-E386 PolarHBondContact O-N 3.19Å; V384-E386 VanDerWaalsContact C-N 3.35Å; V384-E386 PolarHBondContact O-N 3.38Å; E386-C389 PolarHBondContact O-N 3.05Å; E386-Q390 WeakPolarHBondContact O-CG 3.1Å; E386-Q390 PolarHBondContact O-N 3.06Å
387N86.3Confident87Confident92 Ų92103.7 Ų103.749%0.49248%0.482SS..Hα-helixtrans-68.1-40.3176.1-71.2-22.4000112.5T383 V384 Q390 T391T383-N387 WeakPolarHBondContact O-CB 3.29Å; T383-N387 VanDerWaalsContact O-CG 3.24Å; T383-N387 PolarHBondContact O-N 3.15Å; T383-N387 PolarHBondContact O-ND2 3.24Å; V384-N387 PolarHBondContact O-N 3.48Å; N387-Q390 PolarHBondContact O-N 3.11Å; N387-T391 WeakPolarHBondContact O-CB 3.3Å; N387-T391 PolarHBondContact O-N 3.02Å; N387-T391 PolarHBondContact O-OG1 3.2Å
388E85Confident86.8Confident110 Ų110106.2 Ų106.251%0.51449%0.487SS..Hα-helixtrans-58.9-47.9173.5-75.8170.3171.500110.4V384 R385 Q390 T391 E392V384-E388 HydrophobicContact CG1-CG 4.37Å; V384-E388 WeakPolarHBondContact O-CG 3.33Å; V384-E388 PolarHBondContact O-N 3.01Å; R385-E388 PolarHBondContact O-N 3.41Å; E388-Q390 PolarHBondContact O-N 3.41Å; E388-T391 WeakPolarHBondContact O-CB 3.43Å; E388-T391 PolarHBondContact O-N 3.08Å; E388-T391 VanDerWaalsContact O-N 3.1Å; E388-E392 WeakPolarHBondContact O-CG 3.31Å; E388-E392 PolarHBondContact O-N 2.94Å
389C80.6Confident86.5Confident50 Ų50106.3 Ų106.334%0.33849%0.488SS..Hα-helixtrans-60.3-41.6176.1-172.40000112.4R385 E386 T391 E392 V393R385-C389 WeakPolarHBondContact O-CB 3.39Å; R385-C389 PolarHBondContact O-N 3.33Å; E386-C389 PolarHBondContact O-N 3.05Å; C389-T391 VanDerWaalsContact C-N 3.34Å; C389-T391 PolarHBondContact O-N 3.2Å; C389-E392 PolarHBondContact O-N 3.21Å; C389-V393 VanDerWaalsContact O-CG2 3.3Å; C389-V393 WeakPolarHBondContact O-CG2 3.27Å; C389-V393 PolarHBondContact O-N 3.04Å; C389-V393 VanDerWaalsContact O-N 3.14Å
390Q82.1Confident85.9Confident111 Ų111102.7 Ų102.752%0.51948%0.477SS..Hα-helixtrans-63.2-41174.4-76.4-1768.400111.8E386 N387 E388 V393 Y394E386-Q390 WeakPolarHBondContact O-CG 3.1Å; E386-Q390 PolarHBondContact O-N 3.06Å; N387-Q390 PolarHBondContact O-N 3.11Å; E388-Q390 PolarHBondContact O-N 3.41Å; Q390-V393 PolarHBondContact O-N 2.85Å; Q390-Y394 WeakPolarHBondContact O-CD2 3.46Å; Q390-Y394 PolarHBondContact O-N 3.18Å
391T85Confident85.4Confident81 Ų81105.6 Ų105.650%0.49748%0.483SS..Hα-helixtrans-64.5-42-179.1-48.30000111N387 E388 C389 V393 Y394 D395N387-T391 WeakPolarHBondContact O-CB 3.3Å; N387-T391 PolarHBondContact O-N 3.02Å; N387-T391 PolarHBondContact O-OG1 3.2Å; E388-T391 WeakPolarHBondContact O-CB 3.43Å; E388-T391 PolarHBondContact O-N 3.08Å; E388-T391 VanDerWaalsContact O-N 3.1Å; C389-T391 VanDerWaalsContact C-N 3.34Å; C389-T391 PolarHBondContact O-N 3.2Å; T391-V393 PolarHBondContact O-N 3.49Å; T391-Y394 PolarHBondContact O-N 3.32Å; T391-D395 PolarHBondContact O-N 3.48Å
392E84.7Confident84.8Confident127 Ų127104.4 Ų104.459%0.59348%0.483SS*.Hα-helixtrans-60.2-43.8173.9-72.1179.4178.800112.2E388 C389 D395 Y396E388-E392 WeakPolarHBondContact O-CG 3.31Å; E388-E392 PolarHBondContact O-N 2.94Å; C389-E392 PolarHBondContact O-N 3.21Å; E392-D395 PolarHBondContact O-N 3.32Å; E392-Y396 WeakPolarHBondContact O-CB 3.47Å; E392-Y396 PolarHBondContact O-N 2.89Å
393V83.6Confident83.8Confident54 Ų54101 Ų10133%0.32748%0.479SS..Hα-helixtrans-61.9-45.5175.71720000110.9C389 Q390 T391 D395 Y396 F397C389-V393 VanDerWaalsContact O-CG2 3.3Å; C389-V393 WeakPolarHBondContact O-CG2 3.27Å; C389-V393 PolarHBondContact O-N 3.04Å; C389-V393 VanDerWaalsContact O-N 3.14Å; Q390-V393 PolarHBondContact O-N 2.85Å; T391-V393 PolarHBondContact O-N 3.49Å; V393-D395 PolarHBondContact O-N 3.01Å; V393-Y396 PolarHBondContact O-N 3.21Å; V393-F397 HydrophobicContact CG1-CD2 3.75Å; V393-F397 HydrophobicContact CG1-CE2 3.54Å; V393-F397 WeakPolarHBondContact O-CD2 3.45Å; V393-F397 PolarHBondContact O-N 3.03Å
394Y83.4Confident82.6Confident164 Ų164103.7 Ų103.764%0.64349%0.491SS*.Hα-helixtrans-62.8-41.2177.3-83.7-65.9000112.7Q390 T391 F397 R398Q390-Y394 WeakPolarHBondContact O-CD2 3.46Å; Q390-Y394 PolarHBondContact O-N 3.18Å; T391-Y394 PolarHBondContact O-N 3.32Å; Y394-F397 PolarHBondContact O-N 3.18Å; Y394-R398 WeakPolarHBondContact O-CB 3.49Å; Y394-R398 PolarHBondContact O-N 3.32Å
395D86.3Confident81.2Confident66 Ų66108.4 Ų108.435%0.35350%0.5SS..Hα-helixtrans-69.4-33.6177.1-88.5-20.5000112.4T391 E392 V393 R398 K399T391-D395 PolarHBondContact O-N 3.48Å; E392-D395 PolarHBondContact O-N 3.32Å; V393-D395 PolarHBondContact O-N 3.01Å; D395-R398 PolarHBondContact O-N 3.45Å; D395-R398 IonicContact OD1-CZ 2.61Å; D395-R398 IonicContact OD1-NE 3.76Å; D395-R398 IonicContact OD1-NH1 3.51Å; D395-R398 PolarHBondContact OD1-NH1 3.4Å; D395-K399 WeakPolarHBondContact O-CG 3.43Å; D395-K399 PolarHBondContact O-N 2.91Å
396Y85.7Confident79.8Confident43 Ų43107 Ų10717%0.16951%0.505CS..Hα-helixtrans-61.4-50.4171179.2-105.9000111.6E392 V393 R398 K399 I400 Q429 I430 I433E392-Y396 WeakPolarHBondContact O-CB 3.47Å; E392-Y396 PolarHBondContact O-N 2.89Å; V393-Y396 PolarHBondContact O-N 3.21Å; Y396-R398 VanDerWaalsContact C-N 3.28Å; Y396-R398 PolarHBondContact O-N 2.79Å; Y396-K399 WeakPolarHBondContact O-CB 3.37Å; Y396-K399 PolarHBondContact O-N 3.49Å; Y396-K399 VanDerWaalsContact O-N 3.12Å; Y396-I400 HydrophobicContact CD1-CD1 3.96Å; Y396-I400 HydrophobicContact CE1-CD1 3.39Å; Y396-I400 HydrophobicContact CE1-CG1 4.4Å; Y396-I400 HydrophobicContact CE2-CD1 4.33Å; Y396-I400 PolarHBondContact O-N 3.35Å; Y396-I400 VanDerWaalsContact O-N 3.08Å; Y396-Q429 PolarHBondContact OH-OE1 2.83Å; Y396-Q429 VanDerWaalsContact OH-OE1 3.07Å; Y396-I430 HydrophobicContact CE1-CG1 4.12Å; Y396-I433 HydrophobicContact CD2-CD1 3.64Å; Y396-I433 HydrophobicContact CE1-CD1 4.4Å; Y396-I433 HydrophobicContact CE2-CD1 3.14Å; Y396-I433 HydrophobicContact CG-CD1 4.47Å
397F83.3Confident78.3Confident99 Ų99108.7 Ų108.743%0.43452%0.517SS..Hα-helixtrans-61.8-35.7175.7-79.2-65.8000112.8V393 Y394 I400 R401 I430V393-F397 HydrophobicContact CG1-CD2 3.75Å; V393-F397 HydrophobicContact CG1-CE2 3.54Å; V393-F397 WeakPolarHBondContact O-CD2 3.45Å; V393-F397 PolarHBondContact O-N 3.03Å; Y394-F397 PolarHBondContact O-N 3.18Å; F397-I400 PolarHBondContact O-N 2.88Å; F397-R401 WeakPolarHBondContact O-CB 3.22Å; F397-R401 PolarHBondContact O-N 2.98Å; F397-I430 HydrophobicContact CZ-CD1 4.49Å
398R86.4Confident76.8Confident145 Ų145112.7 Ų112.755%0.54753%0.533SS..Hα-helixtrans-64-39.5174.7-175.1-172.7-75.6168.8-12111.8Y394 D395 Y396 R401 K402Y394-R398 WeakPolarHBondContact O-CB 3.49Å; Y394-R398 PolarHBondContact O-N 3.32Å; D395-R398 PolarHBondContact O-N 3.45Å; D395-R398 IonicContact OD1-CZ 2.61Å; D395-R398 IonicContact OD1-NE 3.76Å; D395-R398 IonicContact OD1-NH1 3.51Å; D395-R398 PolarHBondContact OD1-NH1 3.4Å; Y396-R398 VanDerWaalsContact C-N 3.28Å; Y396-R398 PolarHBondContact O-N 2.79Å; R398-R401 PolarHBondContact O-N 2.92Å; R398-K402 WeakPolarHBondContact O-CG 3.34Å; R398-K402 PolarHBondContact O-N 2.89Å; R398-K402 VanDerWaalsContact O-N 3.14Å
399K87.1Confident75.3Confident158 Ų158116.8 Ų116.869%0.68755%0.549SS*.Hα-helixtrans-64.4-46.4175.3-76.5174.2-177.5173.50111.6D395 Y396 R401 K402 G403D395-K399 WeakPolarHBondContact O-CG 3.43Å; D395-K399 PolarHBondContact O-N 2.91Å; Y396-K399 WeakPolarHBondContact O-CB 3.37Å; Y396-K399 PolarHBondContact O-N 3.49Å; Y396-K399 VanDerWaalsContact O-N 3.12Å; K399-R401 VanDerWaalsContact C-N 3.32Å; K399-R401 PolarHBondContact O-N 2.73Å; K399-K402 PolarHBondContact O-N 2.72Å; K399-K402 VanDerWaalsContact O-N 3.16Å; K399-G403 PolarHBondContact O-N 3.12Å
400I80.1Confident74Confident67 Ų67122.2 Ų122.234%0.34457%0.574SS.*Hα-helixtrans-56.9-46.4175.6-66.2175.6000110.8Y396 F397 K402 G403 N404Y396-I400 HydrophobicContact CD1-CD1 3.96Å; Y396-I400 HydrophobicContact CE1-CD1 3.39Å; Y396-I400 HydrophobicContact CE1-CG1 4.4Å; Y396-I400 HydrophobicContact CE2-CD1 4.33Å; Y396-I400 PolarHBondContact O-N 3.35Å; Y396-I400 VanDerWaalsContact O-N 3.08Å; F397-I400 PolarHBondContact O-N 2.88Å; I400-K402 VanDerWaalsContact C-N 3.28Å; I400-K402 PolarHBondContact O-N 2.99Å; I400-G403 PolarHBondContact O-N 3.42Å; I400-N404 PolarHBondContact O-N 3.06Å
401R78.7Confident72.3Confident175 Ų175124.9 Ų124.966%0.6659%0.586SS**Hα-helixtrans-68.7-23.2-178.6-166.9-178.8-95.7147.4-9.2113.8F397 R398 K399F397-R401 WeakPolarHBondContact O-CB 3.22Å; F397-R401 PolarHBondContact O-N 2.98Å; R398-R401 PolarHBondContact O-N 2.92Å; K399-R401 VanDerWaalsContact C-N 3.32Å; K399-R401 PolarHBondContact O-N 2.73Å
402K80Confident70.5Confident139 Ų139128.7 Ų128.760%0.60460%0.603SS**Hα-helixtrans-83.7-35.1173-75.4-175.7178.2-175.20112.1R398 K399 I400 N404 R405R398-K402 WeakPolarHBondContact O-CG 3.34Å; R398-K402 PolarHBondContact O-N 2.89Å; R398-K402 VanDerWaalsContact O-N 3.14Å; K399-K402 PolarHBondContact O-N 2.72Å; K399-K402 VanDerWaalsContact O-N 3.16Å; I400-K402 VanDerWaalsContact C-N 3.28Å; I400-K402 PolarHBondContact O-N 2.99Å; K402-N404 VanDerWaalsContact C-N 3.35Å; K402-N404 PolarHBondContact O-N 3.35Å; K402-R405 PolarHBondContact O-N 3.1Å
403G70.9Confident68.4Low39 Ų39126.6 Ų126.640%0.40262%0.616SS.*Hα-helixtrans-57.8-45.5175.100000112.3K399 I400 R405 N406K399-G403 PolarHBondContact O-N 3.12Å; I400-G403 PolarHBondContact O-N 3.42Å; G403-R405 PolarHBondContact O-N 3.36Å; G403-R405 VanDerWaalsContact O-N 3.13Å; G403-N406 PolarHBondContact O-N 3.07Å
404N62.5Low66.3Low126 Ų126127.4 Ų127.467%0.67464%0.635SS**THydrogen-bonded Turntrans-70.4-7.4-177.5-7711.9000115.9I400 K402I400-N404 PolarHBondContact O-N 3.06Å; K402-N404 VanDerWaalsContact C-N 3.35Å; K402-N404 PolarHBondContact O-N 3.35Å
405R59.6Low64.5Low173 Ų173125.9 Ų125.965%0.65364%0.643SS**THydrogen-bonded Turntrans-95.5-9.9179.1-70.7-167.4-132.9-156.41.6114.2K402 G403K402-R405 PolarHBondContact O-N 3.1Å; G403-R405 PolarHBondContact O-N 3.36Å; G403-R405 VanDerWaalsContact O-N 3.13Å
406N57.3Low62.4Low134 Ų134132.4 Ų132.472%0.71767%0.668SS**SBendtrans-91.8-5.3-175.3-66.6-18.4000113.4G403G403-N406 PolarHBondContact O-N 3.07Å
407D55.3Low60.6Low130 Ų130135.6 Ų135.670%0.69569%0.692SS**SBendtrans-97.4-1.9-178.9-63.7-23.8000113.9K409D407-K409 VanDerWaalsContact C-N 3.25Å; D407-K409 PolarHBondContact O-N 2.97Å
408E54.3Low59.1Low176 Ų176137.9 Ų137.982%0.82270%0.702SS**THydrogen-bonded Turntrans-82.116.6-177.1-99.2-177.8175.200115.1
409K54.4Low57.3Low196 Ų196138.8 Ų138.885%0.85271%0.714SS**THydrogen-bonded Turntrans-12116179.6-77.5-168176.3-175.60115.6D407D407-K409 VanDerWaalsContact C-N 3.25Å; D407-K409 PolarHBondContact O-N 2.97Å
410L53.1Low55.6Low163 Ų163137.8 Ų137.885%0.85371%0.712SS**  trans-96.8123.6170.8-75.9167.3000111.3
411E47.5Very low54.7Low167 Ų167139.6 Ų139.678%0.7873%0.726SS**  trans-59.6143.5-173.4-65168.9131.700113.2
412N45.4Very low53.9Low161 Ų161134.5 Ų134.586%0.86172%0.715SS**SBendtrans40.598.8138.7-61-26.7000117.9
413G41.9Very low53.1Low83 Ų83135.7 Ų135.786%0.85672%0.722SS**  trans131.3104.2145.600000115.1
414G38.9Very low53.3Low71 Ų71142 Ų14273%0.73274%0.739SS**  trans85.9126144.600000117.4
415V45.2Very low53.7Low132 Ų132140 Ų14080%0.873%0.728SS**  trans78.491.3160.3-159.90000115.6V417V415-V417 HydrophobicContact CG1-CG2 3.85Å; V415-V417 PolarHBondContact O-N 3.4Å
416F41.9Very low54.2Low203 Ų203134.1 Ų134.189%0.8971%0.711SS**  trans-71.587.6165.4-147.4-93.4000109.3K418F416-K418 PolarHBondContact O-N 3.46Å
417V49.6Very low54.9Low110 Ų110131.9 Ų131.967%0.66770%0.702SS**  trans-79.599.2166.1-177.20000107.5V415 M419V415-V417 HydrophobicContact CG1-CG2 3.85Å; V415-V417 PolarHBondContact O-N 3.4Å; V417-M419 VanDerWaalsContact C-N 3.31Å; V417-M419 PolarHBondContact O-N 2.95Å
418K51Low55.9Low147 Ų147132.6 Ų132.664%0.63970%0.699SS**  trans-6590.8171.5-158.1-172.6-175-147.20107.9F416 E420F416-K418 PolarHBondContact O-N 3.46Å; K418-E420 IonicContact NZ-OE1 2.8Å; K418-E420 PolarHBondContact NZ-OE1 3.4Å; K418-E420 PolarHBondContact O-N 2.92Å
419M49.2Very low56.6Low165 Ų165129.5 Ų129.581%0.81369%0.685SS**  trans-71.187.5166.7-76.6-155.5-165.900108.1V417 T421V417-M419 VanDerWaalsContact C-N 3.31Å; V417-M419 PolarHBondContact O-N 2.95Å; M419-T421 PolarHBondContact O-N 3.32Å
420E50.5Low57.3Low136 Ų136122.8 Ų122.864%0.63666%0.658SS**  trans-64.890.7159.5-89.3172.6-170.700107.7K418 T422K418-E420 IonicContact NZ-OE1 2.8Å; K418-E420 PolarHBondContact NZ-OE1 3.4Å; K418-E420 PolarHBondContact O-N 2.92Å; E420-T422 VanDerWaalsContact C-N 3.35Å; E420-T422 PolarHBondContact O-N 2.79Å
421T60.9Low58.1Low105 Ų105122 Ų12264%0.64465%0.647SS**  trans-65.5103.1160.3290000106.2M419M419-T421 PolarHBondContact O-N 3.32Å
422T63.2Low59.1Low68 Ų68120.6 Ų120.642%0.41765%0.645SS.*  trans-63143.3178.765.20000108.7E420 K424 D425 V426E420-T422 VanDerWaalsContact C-N 3.35Å; E420-T422 PolarHBondContact O-N 2.79Å; T422-K424 PolarHBondContact O-N 3.44Å; T422-D425 PolarHBondContact O-N 3.43Å; T422-D425 PolarHBondContact OG1-OD2 3.3Å; T422-V426 PolarHBondContact O-N 2.98Å
423E63.5Low60.1Low164 Ų164117.3 Ų117.377%0.76663%0.627SS**Hα-helixtrans-49.7-28.4176.2-165.3175-167.800112V426 V427E423-V426 PolarHBondContact O-N 3.4Å; E423-V427 WeakPolarHBondContact O-CB 3.45Å; E423-V427 WeakPolarHBondContact O-CG2 3.39Å; E423-V427 PolarHBondContact O-N 3.03Å
424K73.9Confident60.7Low172 Ų172116.7 Ų116.775%0.74860%0.604SS**Hα-helixtrans-62.4-38.5173.5-68.9-177.5178.3176.70113.8T422 V427 K428T422-K424 PolarHBondContact O-N 3.44Å; K424-V427 PolarHBondContact O-N 2.91Å; K424-K428 WeakPolarHBondContact O-CB 3.28Å; K424-K428 PolarHBondContact O-N 2.98Å
425D71.6Confident61.4Low83 Ų83118.2 Ų118.244%0.44460%0.6SS.*Hα-helixtrans-72.9-35.8179-71.6-40.2000111.8T422 K428 Q429T422-D425 PolarHBondContact O-N 3.43Å; T422-D425 PolarHBondContact OG1-OD2 3.3Å; D425-K428 PolarHBondContact O-N 3.31Å; D425-Q429 PolarHBondContact O-N 3.21Å
426V69.3Low61.8Low50 Ų50117.7 Ų117.730%0.30360%0.597SS.*Hα-helixtrans-66.1-44.7173.1-175.70000110.2T422 E423 K428 Q429 I430T422-V426 PolarHBondContact O-N 2.98Å; E423-V426 PolarHBondContact O-N 3.4Å; V426-K428 VanDerWaalsContact C-N 3.32Å; V426-K428 PolarHBondContact O-N 2.91Å; V426-Q429 PolarHBondContact O-N 2.97Å; V426-I430 HydrophobicContact CG1-CD1 3.88Å; V426-I430 VanDerWaalsContact O-CG1 3.24Å; V426-I430 WeakPolarHBondContact O-CG1 3.39Å; V426-I430 PolarHBondContact O-N 3.46Å
427V71.7Confident62.2Low87 Ų87116.2 Ų116.253%0.52759%0.591SS.*Hα-helixtrans-62.3-38.5175.3171.10000111.4E423 K424 I430 K431E423-V427 WeakPolarHBondContact O-CB 3.45Å; E423-V427 WeakPolarHBondContact O-CG2 3.39Å; E423-V427 PolarHBondContact O-N 3.03Å; K424-V427 PolarHBondContact O-N 2.91Å; V427-I430 PolarHBondContact O-N 3.22Å; V427-K431 WeakPolarHBondContact O-CB 3.38Å; V427-K431 PolarHBondContact O-N 2.93Å
428K76.5Confident62.1Low145 Ų145118.3 Ų118.363%0.6360%0.598SS**Hα-helixtrans-68.6-38.3177.8-141.2176-173.6-176.70112.4K424 D425 V426 K431 N432K424-K428 WeakPolarHBondContact O-CB 3.28Å; K424-K428 PolarHBondContact O-N 2.98Å; D425-K428 PolarHBondContact O-N 3.31Å; V426-K428 VanDerWaalsContact C-N 3.32Å; V426-K428 PolarHBondContact O-N 2.91Å; K428-K431 PolarHBondContact O-N 3.01Å; K428-N432 PolarHBondContact O-N 3.27Å
429Q69.2Low61.7Low111 Ų111118.1 Ų118.152%0.51960%0.604SS.*Hα-helixtrans-68.2-41173.4-76.7-172.317.700112.2Y396 D425 V426 K431 N432 I433Y396-Q429 PolarHBondContact OH-OE1 2.83Å; Y396-Q429 VanDerWaalsContact OH-OE1 3.07Å; D425-Q429 PolarHBondContact O-N 3.21Å; V426-Q429 PolarHBondContact O-N 2.97Å; Q429-K431 VanDerWaalsContact C-N 3.29Å; Q429-K431 PolarHBondContact O-N 3.08Å; Q429-N432 PolarHBondContact O-N 3.35Å; Q429-I433 WeakPolarHBondContact O-CG1 3.27Å; Q429-I433 PolarHBondContact O-N 2.87Å
430I68.3Low61.5Low55 Ų55118 Ų11828%0.28260%0.601SS.*Hα-helixtrans-61.7-39.3175.2-68.7167.6000110.8Y396 F397 V426 V427 N432 I433 L434Y396-I430 HydrophobicContact CE1-CG1 4.12Å; F397-I430 HydrophobicContact CZ-CD1 4.49Å; V426-I430 HydrophobicContact CG1-CD1 3.88Å; V426-I430 VanDerWaalsContact O-CG1 3.24Å; V426-I430 WeakPolarHBondContact O-CG1 3.39Å; V426-I430 PolarHBondContact O-N 3.46Å; V427-I430 PolarHBondContact O-N 3.22Å; I430-N432 VanDerWaalsContact C-N 3.26Å; I430-N432 PolarHBondContact O-N 3.4Å; I430-I433 PolarHBondContact O-N 2.9Å; I430-L434 HydrophobicContact CG2-CD1 4Å; I430-L434 PolarHBondContact O-N 3.2Å
431K70.2Confident61.4Low146 Ų146120.4 Ų120.464%0.63561%0.605SS**Hα-helixtrans-66.1-24.1177.9-136.9175.5-173.9-178.90114V427 K428 Q429V427-K431 WeakPolarHBondContact O-CB 3.38Å; V427-K431 PolarHBondContact O-N 2.93Å; K428-K431 PolarHBondContact O-N 3.01Å; Q429-K431 VanDerWaalsContact C-N 3.29Å; Q429-K431 PolarHBondContact O-N 3.08Å
432N69.6Low60.6Low138 Ų138121.6 Ų121.674%0.73860%0.603SS**Hα-helixtrans-89.8-18.6178-73.9-9.6000113.3K428 Q429 I430K428-N432 PolarHBondContact O-N 3.27Å; Q429-N432 PolarHBondContact O-N 3.35Å; I430-N432 VanDerWaalsContact C-N 3.26Å; I430-N432 PolarHBondContact O-N 3.4Å
433I65.6Low60Low92 Ų92124.2 Ų124.247%0.47262%0.615SS.*Hα-helixtrans-90.7-30.9179.5-63.9166.2000111Y396 Q429 I430 P435Y396-I433 HydrophobicContact CD2-CD1 3.64Å; Y396-I433 HydrophobicContact CE1-CD1 4.4Å; Y396-I433 HydrophobicContact CE2-CD1 3.14Å; Y396-I433 HydrophobicContact CG-CD1 4.47Å; Q429-I433 WeakPolarHBondContact O-CG1 3.27Å; Q429-I433 PolarHBondContact O-N 2.87Å; I430-I433 PolarHBondContact O-N 2.9Å; I433-P435 WeakPolarHBondContact O-CD 3.49Å
434L55.1Low59.4Low71 Ų71122.6 Ų122.637%0.37261%0.611SS.*SBendtrans-78116.1166.9-86.691.2000109.4I430 T436I430-L434 HydrophobicContact CG2-CD1 4Å; I430-L434 PolarHBondContact O-N 3.2Å; L434-T436 PolarHBondContact O-N 3.39Å
435P54.1Low58.4Low102 Ų102122.5 Ų122.566%0.66261%0.614SS**  trans-65.5104.1166.984.1000107.1I433 K437I433-P435 WeakPolarHBondContact O-CD 3.49Å; P435-K437 HydrophobicContact CB-CG 4.33Å; P435-K437 PolarHBondContact O-N 3.04Å
436T53.2Low57.6Low121 Ų121124 Ų12474%0.74262%0.622SS**  trans-7065.6163.741.40000108.3L434L434-T436 PolarHBondContact O-N 3.39Å
437K49.7Very low56.9Low173 Ų173125.5 Ų125.575%0.75263%0.631SS**  trans-92.398.7165.5-71.3-173.9178.1-178.20106.9P435 L439P435-K437 HydrophobicContact CB-CG 4.33Å; P435-K437 PolarHBondContact O-N 3.04Å; K437-L439 PolarHBondContact O-N 3.12Å
438D47.4Very low55.8Low153 Ų153128.3 Ų128.382%0.81864%0.636SS**  trans52.361.3149.4-47.2-34000116.1
439L43.8Very low54.8Low144 Ų144125.9 Ų125.975%0.75463%0.63SS**  trans-93.683.6150.9-83.9162.5000107.1K437 Y441K437-L439 PolarHBondContact O-N 3.12Å; L439-Y441 HydrophobicContact CB-CD2 4.03Å; L439-Y441 HydrophobicContact CB-CE2 4.18Å; L439-Y441 HydrophobicContact CD1-CE2 4.4Å; L439-Y441 HydrophobicContact CD2-CE2 4.46Å; L439-Y441 PolarHBondContact O-N 3.21Å
440H44.6Very low54.3Low162 Ų162126.8 Ų126.875%0.7563%0.634SS**  trans-61.791.3161.7-124.5-53.2000106.9E442H440-E442 WeakPolarHBondContact ND1-CG 3.46Å; H440-E442 PolarHBondContact O-N 2.97Å; H440-E442 VanDerWaalsContact O-N 3.14Å
441Y47.3Very low53.9Low187 Ų187130.7 Ų130.773%0.73365%0.645SS**  trans-78.774163.2-91.9-90.6000106.9L439L439-Y441 HydrophobicContact CB-CD2 4.03Å; L439-Y441 HydrophobicContact CB-CE2 4.18Å; L439-Y441 HydrophobicContact CD1-CE2 4.4Å; L439-Y441 HydrophobicContact CD2-CE2 4.46Å; L439-Y441 PolarHBondContact O-N 3.21Å
442E44.8Very low53.7Low129 Ų129127.4 Ų127.460%0.60364%0.635SS**  trans-110.7116.3162.5-66.1-87.2157.500106H440H440-E442 WeakPolarHBondContact ND1-CG 3.46Å; H440-E442 PolarHBondContact O-N 2.97Å; H440-E442 VanDerWaalsContact O-N 3.14Å
443D51.6Low53.8Low123 Ų123126.4 Ų126.466%0.65863%0.626SS**SBendtrans77.320.2153.1-58.2-19.8000123.1E445 N446D443-E445 PolarHBondContact O-N 2.98Å; D443-N446 PolarHBondContact O-N 3.44Å
444D50.8Low54.3Low130 Ų130128.4 Ų128.470%0.69563%0.631SS**Hα-helixtrans-76.2-10.9178.4-89.8-16.4000116.2N446 T447 F448D444-N446 VanDerWaalsContact C-N 3.35Å; D444-T447 WeakPolarHBondContact CA-OG1 3.45Å; D444-T447 PolarHBondContact O-OG1 3.45Å; D444-T447 PolarHBondContact OD1-OG1 3.23Å; D444-F448 PolarHBondContact O-N 3.36Å
445E52.1Low55.1Low171 Ų171129.3 Ų129.380%0.79964%0.636SS**Hα-helixtrans-74.4-24.6174.2-79.8-164.1157.600112.8D443 N449D443-E445 PolarHBondContact O-N 2.98Å; E445-N449 PolarHBondContact O-ND2 3.1Å
446N54.7Low56.1Low115 Ų115129.9 Ų129.962%0.61563%0.63SS**Hα-helixtrans-83.4-31.2177-103.3-5.9000113.1D443 D444 H450D443-N446 PolarHBondContact O-N 3.44Å; D444-N446 VanDerWaalsContact C-N 3.35Å; N446-H450 PolarHBondContact O-N 2.92Å; N446-H450 VanDerWaalsContact O-N 3.11Å
447T54.6Low57.3Low81 Ų81127.7 Ų127.750%0.49762%0.62SS.*Hα-helixtrans-71.1-30.4175.829.50000112.4D444 R451D444-T447 WeakPolarHBondContact CA-OG1 3.45Å; D444-T447 PolarHBondContact O-OG1 3.45Å; D444-T447 PolarHBondContact OD1-OG1 3.23Å; T447-R451 WeakPolarHBondContact O-CB 3.49Å; T447-R451 PolarHBondContact O-N 3.5Å; T447-R451 VanDerWaalsContact O-N 3.12Å
448F47.8Very low58.6Low145 Ų145124.3 Ų124.364%0.63661%0.607SS**Hα-helixtrans-69.9-40175.8-166.5-100.2000112.5D444 N452D444-F448 PolarHBondContact O-N 3.36Å; F448-N452 PolarHBondContact O-N 2.85Å
449N55.6Low59.8Low94 Ų94122.8 Ų122.850%0.50360%0.596SS.*Hα-helixtrans-70.5-42.8177.3-73-31.8000112.3E445 R451 N452 E453E445-N449 PolarHBondContact O-ND2 3.1Å; N449-R451 VanDerWaalsContact C-N 3.33Å; N449-R451 PolarHBondContact O-N 3.2Å; N449-N452 PolarHBondContact O-N 3.3Å; N449-E453 PolarHBondContact O-N 2.98Å; N449-E453 VanDerWaalsContact O-N 3.08Å
450H58.9Low61.7Low130 Ų130122.5 Ų122.560%0.60259%0.589SS**Hα-helixtrans-66.2-31.1176-91.3-31.4000113.9N446 E453 K454N446-H450 PolarHBondContact O-N 2.92Å; N446-H450 VanDerWaalsContact O-N 3.11Å; H450-E453 IonicContact ND1-OE2 3.6Å; H450-K454 WeakPolarHBondContact O-CB 3.5Å; H450-K454 PolarHBondContact O-N 3.27Å
451R60.3Low63.3Low137 Ų137119.5 Ų119.552%0.51758%0.578SS.*Hα-helixtrans-71.9-35.6175.6-132.4172.1-167.7-155.8-3.3111.9E375 T447 N449 N455E375-R451 IonicContact OE1-CZ 2.79Å; E375-R451 IonicContact OE1-NH1 3.95Å; E375-R451 PolarHBondContact OE1-NH1 3.48Å; E375-R451 IonicContact OE1-NH2 2.66Å; T447-R451 WeakPolarHBondContact O-CB 3.49Å; T447-R451 PolarHBondContact O-N 3.5Å; T447-R451 VanDerWaalsContact O-N 3.12Å; N449-R451 VanDerWaalsContact C-N 3.33Å; N449-R451 PolarHBondContact O-N 3.2Å; R451-N455 VanDerWaalsContact O-CB 3.32Å; R451-N455 WeakPolarHBondContact O-CB 3.37Å; R451-N455 PolarHBondContact O-N 3.4Å; R451-N455 PolarHBondContact O-ND2 2.97Å
452N67Low64.5Low78 Ų78115 Ų11542%0.41757%0.566SS.*Hα-helixtrans-69.6-40.2177.2-160.311.5000111.4F448 N449 N455 Q456F448-N452 PolarHBondContact O-N 2.85Å; N449-N452 PolarHBondContact O-N 3.3Å; N452-N455 PolarHBondContact O-N 2.69Å; N452-Q456 WeakPolarHBondContact O-CB 3.39Å; N452-Q456 VanDerWaalsContact O-CG 3.29Å; N452-Q456 WeakPolarHBondContact O-CG 3.23Å; N452-Q456 PolarHBondContact O-N 2.86Å; N452-Q456 PolarHBondContact OD1-NE2 3.4Å
453E70.9Confident65.8Low117 Ų117115 Ų11555%0.54757%0.566SS.*Hα-helixtrans-66.4-39.8173.9-73.9-177.7159.600113N449 H450 Q456 S457N449-E453 PolarHBondContact O-N 2.98Å; N449-E453 VanDerWaalsContact O-N 3.08Å; H450-E453 IonicContact ND1-OE2 3.6Å; E453-Q456 PolarHBondContact O-N 3.49Å; E453-S457 VanDerWaalsContact O-CB 3.32Å; E453-S457 WeakPolarHBondContact O-CB 3.49Å; E453-S457 PolarHBondContact O-N 3.24Å; E453-S457 PolarHBondContact O-OG 2.91Å
454K75.6Confident66.8Low133 Ų133114.2 Ų114.258%0.57856%0.558SS**Hα-helixtrans-65.3-43.7175.6-170.9176.6179.8-178.80111.7H450 S457 E458H450-K454 WeakPolarHBondContact O-CB 3.5Å; H450-K454 PolarHBondContact O-N 3.27Å; K454-S457 PolarHBondContact O-N 3.47Å; K454-E458 PolarHBondContact O-N 3.07Å
455N72.4Confident67.7Low91 Ų91114.2 Ų114.249%0.48755%0.554SS.*Hα-helixtrans-66.9-37.6177.1-71.1-12.5000112.1R451 N452 M459R451-N455 VanDerWaalsContact O-CB 3.32Å; R451-N455 WeakPolarHBondContact O-CB 3.37Å; R451-N455 PolarHBondContact O-N 3.4Å; R451-N455 PolarHBondContact O-ND2 2.97Å; N452-N455 PolarHBondContact O-N 2.69Å; N455-M459 WeakPolarHBondContact O-CB 3.44Å; N455-M459 PolarHBondContact O-N 2.99Å
456Q75.6Confident68.3Low114 Ų114111.3 Ų111.353%0.53354%0.544SS..Hα-helixtrans-67.1-40173.4-76.4-177.934.500112N452 E453 M459 K460N452-Q456 WeakPolarHBondContact O-CB 3.39Å; N452-Q456 VanDerWaalsContact O-CG 3.29Å; N452-Q456 WeakPolarHBondContact O-CG 3.23Å; N452-Q456 PolarHBondContact O-N 2.86Å; N452-Q456 PolarHBondContact OD1-NE2 3.4Å; E453-Q456 PolarHBondContact O-N 3.49Å; Q456-M459 PolarHBondContact O-N 3.39Å; Q456-K460 WeakPolarHBondContact O-CB 3.31Å; Q456-K460 PolarHBondContact O-N 3.39Å
457S77.4Confident68.6Low75 Ų75116.1 Ų116.152%0.52455%0.554SS.*Hα-helixtrans-66.3-42.3176.8-59.60000111.9E453 K454 K460 N461E453-S457 VanDerWaalsContact O-CB 3.32Å; E453-S457 WeakPolarHBondContact O-CB 3.49Å; E453-S457 PolarHBondContact O-N 3.24Å; E453-S457 PolarHBondContact O-OG 2.91Å; K454-S457 PolarHBondContact O-N 3.47Å; S457-K460 PolarHBondContact O-N 3.28Å; S457-N461 WeakPolarHBondContact O-CB 3.14Å; S457-N461 PolarHBondContact O-N 3.15Å
458E77.2Confident68.6Low102 Ų102121.3 Ų121.348%0.47757%0.57SS.*Hα-helixtrans-63.9-41.5173.2-82.4-178.3-173.500112.2K454 K460 N461 I462K454-E458 PolarHBondContact O-N 3.07Å; E458-K460 VanDerWaalsContact C-N 3.32Å; E458-K460 PolarHBondContact O-N 2.91Å; E458-N461 PolarHBondContact O-N 2.96Å; E458-I462 VanDerWaalsContact O-CG1 3.29Å; E458-I462 WeakPolarHBondContact O-CG1 3.43Å; E458-I462 PolarHBondContact O-N 3.48Å
459M73.2Confident68.9Low121 Ų121120.5 Ų120.560%0.59657%0.572SS**Hα-helixtrans-63.6-38.3175.8-125.1-146.9-61.500112.2N455 Q456 Q463N455-M459 WeakPolarHBondContact O-CB 3.44Å; N455-M459 PolarHBondContact O-N 2.99Å; Q456-M459 PolarHBondContact O-N 3.39Å; M459-Q463 PolarHBondContact O-N 3.02Å
460K82.9Confident68.2Low138 Ų138119.2 Ų119.260%0.658%0.581SS**Hα-helixtrans-64.9-43.3174.6-128.8179.3-178.9-176.80111.4Q456 S457 E458 I462 Q463 E464Q456-K460 WeakPolarHBondContact O-CB 3.31Å; Q456-K460 PolarHBondContact O-N 3.39Å; S457-K460 PolarHBondContact O-N 3.28Å; E458-K460 VanDerWaalsContact C-N 3.32Å; E458-K460 PolarHBondContact O-N 2.91Å; K460-I462 PolarHBondContact O-N 3.36Å; K460-Q463 PolarHBondContact O-N 2.87Å; K460-E464 WeakPolarHBondContact O-CG 3.27Å; K460-E464 PolarHBondContact O-N 2.92Å
461N79.3Confident67.6Low98 Ų98122.3 Ų122.352%0.52460%0.596SS.*Hα-helixtrans-66.1-37.2179-136.9-8.1000112S457 E458 E464 Q465S457-N461 WeakPolarHBondContact O-CB 3.14Å; S457-N461 PolarHBondContact O-N 3.15Å; E458-N461 PolarHBondContact O-N 2.96Å; N461-E464 PolarHBondContact O-N 3.47Å; N461-Q465 WeakPolarHBondContact O-CB 3.38Å; N461-Q465 PolarHBondContact O-N 3.11Å
462I71.8Confident67Low93 Ų93120.9 Ų120.948%0.47761%0.607SS.*Hα-helixtrans-68-39.8173.2-67.4165.8000111E458 K460 E464 N466E458-I462 VanDerWaalsContact O-CG1 3.29Å; E458-I462 WeakPolarHBondContact O-CG1 3.43Å; E458-I462 PolarHBondContact O-N 3.48Å; K460-I462 PolarHBondContact O-N 3.36Å; I462-E464 VanDerWaalsContact C-N 3.34Å; I462-N466 WeakPolarHBondContact O-CB 3.34Å; I462-N466 PolarHBondContact O-N 3.38Å; I462-N466 PolarHBondContact O-ND2 3.41Å; I462-N466 VanDerWaalsContact O-ND2 3.09Å
463Q71.5Confident65.8Low128 Ų128125.1 Ų125.160%0.59863%0.63SS**Hα-helixtrans-64.8-36172.9-84.6-175.2-900112.7M459 K460 R467M459-Q463 PolarHBondContact O-N 3.02Å; K460-Q463 PolarHBondContact O-N 2.87Å; Q463-R467 PolarHBondContact O-N 3.48Å
464E74.2Confident64.7Low107 Ų107126.8 Ų126.850%0.564%0.641SS.*Hα-helixtrans-72.9-41.2176.8-76.6177.9-177.600112.5K460 N461 I462 N466 R467 F468K460-E464 WeakPolarHBondContact O-CG 3.27Å; K460-E464 PolarHBondContact O-N 2.92Å; N461-E464 PolarHBondContact O-N 3.47Å; I462-E464 VanDerWaalsContact C-N 3.34Å; E464-N466 VanDerWaalsContact C-N 3.27Å; E464-N466 PolarHBondContact O-N 2.85Å; E464-R467 PolarHBondContact O-N 3.48Å; E464-R467 VanDerWaalsContact O-N 3.1Å; E464-F468 PolarHBondContact O-N 3.37Å; E464-F468 VanDerWaalsContact O-N 3.1Å
465Q68.2Low62.8Low130 Ų130124.3 Ų124.361%0.60765%0.654SS**Hα-helixtrans-61.2-36.4171.3-81.8-172.2-22.500112.2N461 F468 N469N461-Q465 WeakPolarHBondContact O-CB 3.38Å; N461-Q465 PolarHBondContact O-N 3.11Å; Q465-F468 PolarHBondContact O-N 3.22Å; Q465-N469 PolarHBondContact O-N 3.33Å
466N65.3Low61.7Low111 Ų111130 Ų13059%0.59467%0.67SS**Hα-helixtrans-74.3-24175.2-70.9-27.4000113I462 E464I462-N466 WeakPolarHBondContact O-CB 3.34Å; I462-N466 PolarHBondContact O-N 3.38Å; I462-N466 PolarHBondContact O-ND2 3.41Å; I462-N466 VanDerWaalsContact O-ND2 3.09Å; E464-N466 VanDerWaalsContact C-N 3.27Å; E464-N466 PolarHBondContact O-N 2.85Å
467R60.8Low60.8Low215 Ų215130 Ų13081%0.81168%0.679SS**Hα-helixtrans-75-30.3171.7-90-174.9173.1178.4-1.4113.1Q463 E464Q463-R467 PolarHBondContact O-N 3.48Å; E464-R467 PolarHBondContact O-N 3.48Å; E464-R467 VanDerWaalsContact O-N 3.1Å
468F55.5Low59.2Low191 Ų191136.2 Ų136.284%0.83870%0.697SS**Hα-helixtrans-84-13.9-179-105.1-85.4000114.8E464 Q465E464-F468 PolarHBondContact O-N 3.37Å; E464-F468 VanDerWaalsContact O-N 3.1Å; Q465-F468 PolarHBondContact O-N 3.22Å
469N53.3Low58Low128 Ų128135.8 Ų135.868%0.68470%0.698SS**THydrogen-bonded Turntrans-96.421.1176.1-77-20.6000114Q465 Q471Q465-N469 PolarHBondContact O-N 3.33Å; N469-Q471 PolarHBondContact O-N 2.91Å
470G41.7Very low57.4Low67 Ų67134 Ų13469%0.69169%0.694SS**  trans-71.723.4-176.300000117.3
471Q46.4Very low56.4Low194 Ų194136.1 Ų136.191%0.90770%0.703SS**  trans-13571.9173.5-79.6-174.1-31.500110.8N469N469-Q471 PolarHBondContact O-N 2.91Å
472S47.1Very low55.4Low108 Ų108138.5 Ų138.576%0.75571%0.711SS**  trans-156.8107.5149.639.20000109.8L474S472-L474 PolarHBondContact O-N 3.27Å; S472-L474 VanDerWaalsContact O-N 3.11Å
473D40.8Very low54.7Low167 Ų167138.2 Ų138.289%0.89371%0.708SS**  trans-73.283.4178.6-172.218.7000110
474L48.1Very low54.4Low152 Ų152134.6 Ų134.680%0.79670%0.695SS**  trans-148.1105.7166.7-84.5176.7000109.9S472 Y476S472-L474 PolarHBondContact O-N 3.27Å; S472-L474 VanDerWaalsContact O-N 3.11Å; L474-Y476 PolarHBondContact O-N 3.14Å
475G36Very low54.2Low81 Ų81133.6 Ų133.684%0.83569%0.692SS**  trans-62.9119-177.900000113.6
476Y50.4Low54.3Low211 Ų211131.9 Ų131.983%0.82769%0.688SS**  trans-126.6133.5157.2-86.2-85.2000109.1L474 F478L474-Y476 PolarHBondContact O-N 3.14Å; Y476-F478 PolarHBondContact O-N 3.5Å
477P56.3Low54.5Low112 Ų112131.7 Ų131.773%0.72768%0.684SS**PPolyproline II helixtrans-73.1125.6-179.630.6-32.5000109.5L479P477-L479 PolarHBondContact O-N 3.37Å
478F44Very low55Low207 Ų207124.3 Ų124.391%0.90866%0.659SS**PPolyproline II helixtrans-57.7117.3171.7-130.6-96.1000109.1Y476 T480Y476-F478 PolarHBondContact O-N 3.5Å; F478-T480 PolarHBondContact O-N 3.48Å
479L50.4Low55.9Low92 Ų92119.7 Ų119.748%0.48264%0.643SS.*PPolyproline II helixtrans-63.8133.3178-69.4169.6000109.6P477 Q483 M487P477-L479 PolarHBondContact O-N 3.37Å; L479-Q483 VanDerWaalsContact CA-OE1 3.27Å; L479-Q483 HydrophobicContact CB-CB 4.23Å; L479-Q483 HydrophobicContact CD2-CB 4.02Å; L479-Q483 VanDerWaalsContact CD2-CD 3.42Å; L479-Q483 HydrophobicContact CD2-CG 4.26Å; L479-M487 HydrophobicContact CD1-CE 3.89Å
480T61.9Low57Low85 Ų85117.9 Ų117.952%0.52163%0.629SS.*PPolyproline II helixtrans-73.7155.2176.954.50000110.4F478 Q482 Q483 T484F478-T480 PolarHBondContact O-N 3.48Å; T480-Q482 PolarHBondContact O-N 3.04Å; T480-Q483 PolarHBondContact O-N 3.31Å; T480-Q483 PolarHBondContact OG1-OE1 2.94Å; T480-T484 PolarHBondContact O-N 2.92Å
481K62.4Low58.6Low181 Ų181116.7 Ų116.779%0.78761%0.609SS**Hα-helixtrans-52-17.8175.6-73.8-175.8176.1-176.70114.3T484 N485K481-T484 WeakPolarHBondContact CA-OG1 3.28Å; K481-T484 PolarHBondContact O-OG1 3.33Å; K481-N485 PolarHBondContact O-OD1 2.96Å
482Q56.9Low59.9Low148 Ų148113 Ų11369%0.69259%0.586SS**Hα-helixtrans-78.6-34.8176.2-164.4155.9-0.700112.3T480 N485 D486T480-Q482 PolarHBondContact O-N 3.04Å; Q482-N485 PolarHBondContact O-N 3.12Å; Q482-D486 PolarHBondContact O-N 3.37Å
483Q58.3Low60.9Low87 Ų87112.9 Ų112.941%0.40757%0.572SS.*Hα-helixtrans-74.9-28.1177-71.4167.4-42.400112.5L479 T480 M487L479-Q483 VanDerWaalsContact CA-OE1 3.27Å; L479-Q483 HydrophobicContact CB-CB 4.23Å; L479-Q483 HydrophobicContact CD2-CB 4.02Å; L479-Q483 VanDerWaalsContact CD2-CD 3.42Å; L479-Q483 HydrophobicContact CD2-CG 4.26Å; T480-Q483 PolarHBondContact O-N 3.31Å; T480-Q483 PolarHBondContact OG1-OE1 2.94Å; Q483-M487 PolarHBondContact O-N 3.22Å; Q483-M487 VanDerWaalsContact O-N 3.16Å
484T63.7Low62.2Low53 Ų53110.8 Ų110.833%0.32556%0.557SS.*Hα-helixtrans-67-43.2172.153.60000111.1T480 K481 D486 M487 E488T480-T484 PolarHBondContact O-N 2.92Å; K481-T484 WeakPolarHBondContact CA-OG1 3.28Å; K481-T484 PolarHBondContact O-OG1 3.33Å; T484-D486 VanDerWaalsContact C-N 3.34Å; T484-D486 PolarHBondContact O-N 3.44Å; T484-M487 PolarHBondContact O-N 3.43Å; T484-E488 WeakPolarHBondContact O-CG 3.35Å; T484-E488 PolarHBondContact O-N 3Å
485N71.3Confident63.5Low85 Ų85107.9 Ų107.946%0.45554%0.539SS..Hα-helixtrans-65.8-35.4177.9-67.1-1.2000112.5K481 Q482 N489K481-N485 PolarHBondContact O-OD1 2.96Å; Q482-N485 PolarHBondContact O-N 3.12Å; N485-N489 WeakPolarHBondContact O-CB 3.2Å; N485-N489 PolarHBondContact O-N 3.14Å; N485-N489 PolarHBondContact O-ND2 3.2Å
486D69.7Low65.2Low95 Ų95109.2 Ų109.251%0.50853%0.527SS..Hα-helixtrans-69.6-36.2176-76.9-16000112.3Q482 T484 K490Q482-D486 PolarHBondContact O-N 3.37Å; T484-D486 VanDerWaalsContact C-N 3.34Å; T484-D486 PolarHBondContact O-N 3.44Å; D486-K490 WeakPolarHBondContact O-CB 3.47Å; D486-K490 PolarHBondContact O-N 3.14Å; D486-K490 VanDerWaalsContact O-N 3.1Å
487M69.8Low66.2Low106 Ų106103.6 Ų103.652%0.52251%0.511SS..Hα-helixtrans-69.2-41.6173.4-75-165.3-64.300112.3L479 Q483 T484 N489 K490 V491L479-M487 HydrophobicContact CD1-CE 3.89Å; Q483-M487 PolarHBondContact O-N 3.22Å; Q483-M487 VanDerWaalsContact O-N 3.16Å; T484-M487 PolarHBondContact O-N 3.43Å; M487-N489 VanDerWaalsContact C-N 3.35Å; M487-N489 PolarHBondContact O-N 2.86Å; M487-K490 PolarHBondContact O-N 3.05Å; M487-K490 VanDerWaalsContact O-N 3.16Å; M487-V491 WeakPolarHBondContact O-CG2 3.48Å; M487-V491 PolarHBondContact O-N 3.27Å
488E70.2Confident67Low61 Ų61105.2 Ų105.229%0.28551%0.507SS..Hα-helixtrans-61.1-42.8176.1-74.2179.6179.200112M369 T484 K490 V491 R492M369-E488 HydrophobicContact CE-CB 4.04Å; M369-E488 HydrophobicContact CE-CG 3.42Å; M369-E488 VanDerWaalsContact CE-CG 3.42Å; M369-E488 VanDerWaalsContact CE-OE1 3.24Å; M369-E488 WeakPolarHBondContact CE-OE1 3.12Å; M369-E488 WeakPolarHBondContact CE-OE2 3.3Å; M369-E488 HydrophobicContact SD-CG 3.6Å; T484-E488 WeakPolarHBondContact O-CG 3.35Å; T484-E488 PolarHBondContact O-N 3Å; E488-K490 VanDerWaalsContact C-N 3.31Å; E488-K490 PolarHBondContact O-N 3.48Å; E488-V491 PolarHBondContact O-N 3.48Å; E488-R492 PolarHBondContact O-N 3.16Å
489N75.2Confident68.3Low94 Ų9498 Ų9850%0.50349%0.486SS..Hα-helixtrans-63.9-36.6174.6-76.5-28.9000112.1N485 M487 F493N485-N489 WeakPolarHBondContact O-CB 3.2Å; N485-N489 PolarHBondContact O-N 3.14Å; N485-N489 PolarHBondContact O-ND2 3.2Å; M487-N489 VanDerWaalsContact C-N 3.35Å; M487-N489 PolarHBondContact O-N 2.86Å; N489-F493 WeakPolarHBondContact O-CB 3.42Å; N489-F493 PolarHBondContact O-N 3.41Å
490K76.7Confident69.2Low90 Ų9098.3 Ų98.339%0.39149%0.488SS..Hα-helixtrans-69.4-37.3177.8-156.1170.2-173.4172.70112.3D161 D486 M487 E488 F493 Q494D161-K490 IonicContact OD1-NZ 2.72Å; D161-K490 PolarHBondContact OD1-NZ 3.4Å; D161-K490 WeakPolarHBondContact OD2-CE 3.45Å; D161-K490 IonicContact OD2-NZ 3.9Å; D161-K490 PolarHBondContact OD2-NZ 3.08Å; D486-K490 WeakPolarHBondContact O-CB 3.47Å; D486-K490 PolarHBondContact O-N 3.14Å; D486-K490 VanDerWaalsContact O-N 3.1Å; M487-K490 PolarHBondContact O-N 3.05Å; M487-K490 VanDerWaalsContact O-N 3.16Å; E488-K490 VanDerWaalsContact C-N 3.31Å; E488-K490 PolarHBondContact O-N 3.48Å; K490-F493 PolarHBondContact O-N 3.38Å; K490-Q494 PolarHBondContact O-N 3.47Å; K490-Q494 VanDerWaalsContact O-N 3.14Å
491V75.4Confident69.6Low42 Ų4299.1 Ų99.126%0.25549%0.489SS..Hα-helixtrans-68.3-45.8174.4172.80000111.2Y362 M487 E488 F493 Q494 E495Y362-V491 WeakPolarHBondContact OH-CG1 3.34Å; M487-V491 WeakPolarHBondContact O-CG2 3.48Å; M487-V491 PolarHBondContact O-N 3.27Å; E488-V491 PolarHBondContact O-N 3.48Å; V491-F493 VanDerWaalsContact C-N 3.27Å; V491-F493 PolarHBondContact O-N 3.25Å; V491-Q494 PolarHBondContact O-N 2.94Å; V491-Q494 VanDerWaalsContact O-N 3.15Å; V491-E495 PolarHBondContact O-N 3.31Å
492R72.7Confident70Confident115 Ų11595.2 Ų95.243%0.43448%0.477SS..Hα-helixtrans-60.5-36.1175.1-75.9-170.2-170.5172.28.5112.4E373 E488 N496E373-R492 VanDerWaalsContact CD-NH2 3.33Å; E373-R492 IonicContact OE1-CZ 2.86Å; E373-R492 IonicContact OE1-NE 3.93Å; E373-R492 IonicContact OE1-NH2 2.73Å; E373-R492 PolarHBondContact OE1-NH2 3.36Å; E373-R492 IonicContact OE2-NH2 3.09Å; E488-R492 PolarHBondContact O-N 3.16Å; R492-N496 WeakPolarHBondContact O-CB 3.36Å; R492-N496 PolarHBondContact O-N 3.4Å; R492-N496 PolarHBondContact O-ND2 3.13Å
493F68.2Low70.8Confident107 Ų10794.5 Ų94.547%0.46947%0.472SS..Hα-helixtrans-67.4-37.9176.3-133.9-87.6000112.2N489 K490 V491 L497N489-F493 WeakPolarHBondContact O-CB 3.42Å; N489-F493 PolarHBondContact O-N 3.41Å; K490-F493 PolarHBondContact O-N 3.38Å; V491-F493 VanDerWaalsContact C-N 3.27Å; V491-F493 PolarHBondContact O-N 3.25Å; F493-L497 HydrophobicContact CD1-CD1 4.28Å; F493-L497 WeakPolarHBondContact O-CG 3.49Å; F493-L497 PolarHBondContact O-N 2.81Å; F493-L497 VanDerWaalsContact O-N 3.13Å
494Q69.2Low71.3Confident122 Ų12295 Ų9557%0.5748%0.477SS*.Hα-helixtrans-70.1-38.8174.6-80.7-167.6-6.400113.1K490 V491 N496 L497 K498K490-Q494 PolarHBondContact O-N 3.47Å; K490-Q494 VanDerWaalsContact O-N 3.14Å; V491-Q494 PolarHBondContact O-N 2.94Å; V491-Q494 VanDerWaalsContact O-N 3.15Å; Q494-N496 VanDerWaalsContact C-N 3.35Å; Q494-L497 PolarHBondContact O-N 2.98Å; Q494-K498 PolarHBondContact O-N 3.47Å
495E74.2Confident71.7Confident91 Ų9196.3 Ų96.343%0.42549%0.485SS..Hα-helixtrans-65.2-38.3176-74.1-175.215800111.7K366 V491 K498 A499K366-E495 WeakPolarHBondContact CE-OE1 3.33Å; K366-E495 IonicContact NZ-OE1 3.56Å; K366-E495 PolarHBondContact NZ-OE1 3.28Å; V491-E495 PolarHBondContact O-N 3.31Å; E495-K498 PolarHBondContact O-N 3.32Å; E495-A499 WeakPolarHBondContact O-CB 2.91Å; E495-A499 PolarHBondContact O-N 3.41Å
496N72.2Confident71.9Confident109 Ų10996.3 Ų96.358%0.58349%0.488SS*.Hα-helixtrans-68.4-33.6174.6-77.5-21.6000113.5R492 Q494 N500R492-N496 WeakPolarHBondContact O-CB 3.36Å; R492-N496 PolarHBondContact O-N 3.4Å; R492-N496 PolarHBondContact O-ND2 3.13Å; Q494-N496 VanDerWaalsContact C-N 3.35Å; N496-N500 PolarHBondContact O-N 3.32Å
497L70.7Confident72.2Confident93 Ų9397.6 Ų97.649%0.48749%0.489SS..Hα-helixtrans-68.3-42.2173.7-75.3168.1000111.3F493 Q494 N500 D501F493-L497 HydrophobicContact CD1-CD1 4.28Å; F493-L497 WeakPolarHBondContact O-CG 3.49Å; F493-L497 PolarHBondContact O-N 2.81Å; F493-L497 VanDerWaalsContact O-N 3.13Å; Q494-L497 PolarHBondContact O-N 2.98Å; L497-N500 PolarHBondContact O-N 2.9Å; L497-D501 PolarHBondContact O-N 3.07Å
498K73.4Confident72.7Confident147 Ų147100.2 Ų100.264%0.63949%0.493SS*.Hα-helixtrans-66-39.2178.3-155.5174.3-174.2-177.80112.4Q494 E495 N500 D501 D502Q494-K498 PolarHBondContact O-N 3.47Å; E495-K498 PolarHBondContact O-N 3.32Å; K498-N500 VanDerWaalsContact C-N 3.33Å; K498-N500 PolarHBondContact O-N 3.24Å; K498-D501 PolarHBondContact O-N 3.18Å; K498-D502 PolarHBondContact O-N 2.93Å
499A72.7Confident72.8Confident56 Ų56102.5 Ų102.546%0.46351%0.507SS..Hα-helixtrans-64.5-35.2174.300000112.8E495 F503E495-A499 WeakPolarHBondContact O-CB 2.91Å; E495-A499 PolarHBondContact O-N 3.41Å; A499-F503 WeakPolarHBondContact O-CB 3.48Å; A499-F503 PolarHBondContact O-N 2.93Å
500N68.2Low73Confident97 Ų97103.2 Ų103.252%0.51952%0.518SS..Hα-helixtrans-72.4-36.4175.7-88.2-25.5000112.9N496 L497 K498 F503 N504N496-N500 PolarHBondContact O-N 3.32Å; L497-N500 PolarHBondContact O-N 2.9Å; K498-N500 VanDerWaalsContact C-N 3.33Å; K498-N500 PolarHBondContact O-N 3.24Å; N500-F503 PolarHBondContact O-N 3.18Å; N500-N504 WeakPolarHBondContact O-CB 3.22Å; N500-N504 PolarHBondContact O-N 3.32Å; N500-N504 PolarHBondContact O-ND2 3.48Å
501D71.3Confident72.8Confident103 Ų103109.2 Ų109.255%0.55154%0.538SS*.Hα-helixtrans-67.9-43.4175.3-73.5-18.4000111.1L497 K498 F503 N504 V505L497-D501 PolarHBondContact O-N 3.07Å; K498-D501 PolarHBondContact O-N 3.18Å; D501-F503 VanDerWaalsContact C-N 3.33Å; D501-F503 PolarHBondContact O-N 2.94Å; D501-N504 PolarHBondContact O-N 3.42Å; D501-V505 VanDerWaalsContact O-CG2 3.31Å; D501-V505 WeakPolarHBondContact O-CG2 3.42Å; D501-V505 PolarHBondContact O-N 2.93Å
502D70.4Confident72.3Confident99 Ų99116 Ų11653%0.52957%0.567SS.*Hα-helixtrans-63.3-37.9174.9-73.5-19.7000111.9K498 T506K498-D502 PolarHBondContact O-N 2.93Å; D502-T506 WeakPolarHBondContact O-CB 3.24Å; D502-T506 PolarHBondContact O-N 3.37Å; D502-T506 PolarHBondContact O-OG1 3.41Å
503F73.4Confident72.3Confident133 Ų133116.1 Ų116.158%0.58357%0.574SS**Hα-helixtrans-66.4-39.1175.1-168.5-98.7000112.4A499 N500 D501 K507A499-F503 WeakPolarHBondContact O-CB 3.48Å; A499-F503 PolarHBondContact O-N 2.93Å; N500-F503 PolarHBondContact O-N 3.18Å; D501-F503 VanDerWaalsContact C-N 3.33Å; D501-F503 PolarHBondContact O-N 2.94Å; F503-K507 WeakPolarHBondContact O-CB 3.36Å; F503-K507 PolarHBondContact O-N 3.04Å
504N69.2Low72.5Confident96 Ų96116.6 Ų116.651%0.51358%0.579SS.*Hα-helixtrans-71.3-38.1177.3-78.8-36.1000112.7N500 D501 K507 W508N500-N504 WeakPolarHBondContact O-CB 3.22Å; N500-N504 PolarHBondContact O-N 3.32Å; N500-N504 PolarHBondContact O-ND2 3.48Å; D501-N504 PolarHBondContact O-N 3.42Å; N504-K507 PolarHBondContact O-N 3.5Å; N504-W508 WeakPolarHBondContact O-CB 3.21Å; N504-W508 PolarHBondContact O-N 3.45Å
505V72.6Confident72.7Confident82 Ų82116.3 Ų116.350%0.49758%0.58SS.*Hα-helixtrans-64.1-43173.51720000110.6D501 W508 L509D501-V505 VanDerWaalsContact O-CG2 3.31Å; D501-V505 WeakPolarHBondContact O-CG2 3.42Å; D501-V505 PolarHBondContact O-N 2.93Å; V505-W508 PolarHBondContact O-N 2.82Å; V505-L509 HydrophobicContact CG1-CD1 4.05Å; V505-L509 WeakPolarHBondContact O-CB 3.45Å; V505-L509 WeakPolarHBondContact O-CG 3.37Å; V505-L509 PolarHBondContact O-N 2.96Å
506T74.6Confident72.6Confident84 Ų84117.8 Ų117.852%0.51559%0.589SS.*Hα-helixtrans-64.7-41.2177-51.20000111.7D502 W508 L509 C510D502-T506 WeakPolarHBondContact O-CB 3.24Å; D502-T506 PolarHBondContact O-N 3.37Å; D502-T506 PolarHBondContact O-OG1 3.41Å; T506-W508 VanDerWaalsContact C-N 3.35Å; T506-W508 PolarHBondContact O-N 2.93Å; T506-L509 PolarHBondContact O-N 2.8Å; T506-C510 PolarHBondContact O-N 3.25Å
507K75.6Confident72.6Confident123 Ų123118.3 Ų118.354%0.53559%0.589SS.*Hα-helixtrans-69.1-31.3177-165.5176.2-174.7177.80113F503 N504 R511F503-K507 WeakPolarHBondContact O-CB 3.36Å; F503-K507 PolarHBondContact O-N 3.04Å; N504-K507 PolarHBondContact O-N 3.5Å; K507-R511 PolarHBondContact O-N 2.9Å
508W79.7Confident72.7Confident161 Ų161120 Ų12061%0.6160%0.596SS**Hα-helixtrans-71.2-42.3173.4-172.685.5000111.4N504 V505 T506 C510 R511 Q512N504-W508 WeakPolarHBondContact O-CB 3.21Å; N504-W508 PolarHBondContact O-N 3.45Å; V505-W508 PolarHBondContact O-N 2.82Å; T506-W508 VanDerWaalsContact C-N 3.35Å; T506-W508 PolarHBondContact O-N 2.93Å; W508-C510 VanDerWaalsContact C-N 3.33Å; W508-C510 PolarHBondContact O-N 2.93Å; W508-R511 PolarHBondContact O-N 3.03Å; W508-R511 VanDerWaalsContact O-N 3.09Å; W508-Q512 HydrophobicContact CH2-CG 4.31Å; W508-Q512 HydrophobicContact CZ2-CG 4.3Å; W508-Q512 HydrophobicContact CZ3-CG 4.47Å; W508-Q512 PolarHBondContact O-N 3.23Å
509L73.9Confident72.7Confident109 Ų109118.1 Ų118.157%0.57159%0.593SS**Hα-helixtrans-65.7-29.4175.1-77.9167.3000113.7V505 T506 R511V505-L509 HydrophobicContact CG1-CD1 4.05Å; V505-L509 WeakPolarHBondContact O-CB 3.45Å; V505-L509 WeakPolarHBondContact O-CG 3.37Å; V505-L509 PolarHBondContact O-N 2.96Å; T506-L509 PolarHBondContact O-N 2.8Å; L509-R511 VanDerWaalsContact C-N 3.31Å
510C78.5Confident72.7Confident108 Ų108122.8 Ų122.873%0.7360%0.603SS**THydrogen-bonded Turntrans-80.1-8172.3-74.20000114.3T506 W508T506-C510 PolarHBondContact O-N 3.25Å; W508-C510 VanDerWaalsContact C-N 3.33Å; W508-C510 PolarHBondContact O-N 2.93Å
511R72.8Confident73Confident217 Ų217125 Ų12582%0.81961%0.61SS**THydrogen-bonded Turntrans-100.1-21.8178.9-107-174.5-176.5-165.50.3113.7K507 W508 L509K507-R511 PolarHBondContact O-N 2.9Å; W508-R511 PolarHBondContact O-N 3.03Å; W508-R511 VanDerWaalsContact O-N 3.09Å; L509-R511 VanDerWaalsContact C-N 3.31Å
512Q64.6Low73.2Confident185 Ų185127 Ų12786%0.86462%0.615SS**  trans-79.40163.2-68.3-66.9-24.300108.8W508W508-Q512 HydrophobicContact CH2-CG 4.31Å; W508-Q512 HydrophobicContact CZ2-CG 4.3Å; W508-Q512 HydrophobicContact CZ3-CG 4.47Å; W508-Q512 PolarHBondContact O-N 3.23Å

Retrieved 512 of 512 residues in 378.2 ms (Link to these results)