A0A077Z177_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z177, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 460 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
1M48.7Very low44.7Very low254 Ų254168.5 Ų168.5100%1.25184%0.838SS**  0111.50-66.3-171.6-161.800107.6
2Q38.5Very low44.6Very low189 Ų189165.4 Ų165.488%0.88383%0.827SS**  trans-126.4128.6-169-105.4173.8-1400108.8
3K47Very low44Very low207 Ų207165.2 Ų165.290%0.982%0.821SS**  trans-149.189.4158.5-79.1-170175.8179.70106.3
4Q49.2Very low43.7Very low153 Ų153165.4 Ų165.472%0.71583%0.826SS**  66.5100.791.9-80.5-170.3-11.900114.4Y6Q4-Y6 HydrophobicContact CB-CE2 4.37Å
5N44.7Very low43.1Very low163 Ų163161.1 Ų161.187%0.87283%0.826SS**  trans-66.6139154.2-70.2-36.9000109.6
6Y47.4Very low42.8Very low170 Ų170159.3 Ų159.367%0.66783%0.825SS**  trans-131.4103.5158.2-87.4-81.9000108.9Q4Q4-Y6 HydrophobicContact CB-CE2 4.37Å
7A41.4Very low42.7Very low97 Ų97156.3 Ų156.380%0.80282%0.818SS**  trans-95.6120.7152.100000106
8N47.3Very low42.4Very low125 Ų125159.5 Ų159.567%0.66882%0.824SS**  trans-125.4112.5169.6-80.9-19.2000108.6
9N41.6Very low42.1Very low152 Ų152162.5 Ų162.581%0.81383%0.826SS**  trans-59.8137.8157.2-79.9-25.5000109.6
10F42Very low41.8Very low199 Ų199163.6 Ų163.687%0.87383%0.827SS**  trans-135.692.6152.7-99-83.2000107.2
11D43.7Very low41.6Very low145 Ų145160.8 Ų160.878%0.77582%0.823SS**  trans-65.1122.9147.1-75.6-46.7000107
12D43.6Very low41.1Very low131 Ų131153.1 Ų153.170%0.70180%0.8SS**  173.6133.3119.2-116.7-8.7000112
13Q36.6Very low41Very low162 Ų162153.7 Ų153.776%0.75779%0.794SS**  trans60.3101.3147.3-59.417959.900118.5
14L40.2Very low40.6Very low169 Ų169151.8 Ų151.889%0.88579%0.793SS**  trans-160.5108.8136-104.1160.3000109.8T16L14-T16 PolarHBondContact O-N 2.96Å
15A34.8Very low40Very low101 Ų101151.8 Ų151.884%0.83579%0.792SS**PPolyproline II helixtrans-54119.4173.900000111.4
16T38.6Very low40Very low132 Ų132148.8 Ų148.881%0.8178%0.781SS**PPolyproline II helixtrans-100128.2167.540.40000109.6L14L14-T16 PolarHBondContact O-N 2.96Å
17P40.5Very low39.8Very low108 Ų108146.3 Ų146.370%0.70179%0.786SS**PPolyproline II helixtrans-68.1140.7179.128-32000110.3Y19P17-Y19 PolarHBondContact O-N 2.98Å
18K37.2Very low40.1Very low214 Ų214149.7 Ų149.793%0.9379%0.785SS**  trans-58.4101.5171.7-71.7179.1176.5179.60109.6
19Y36.5Very low39.9Very low217 Ų217152.9 Ų152.985%0.85179%0.793SS**  trans-91.3100.2161.6-115.9-93.6000107.5P17 S21P17-Y19 PolarHBondContact O-N 2.98Å; Y19-S21 PolarHBondContact O-N 2.89Å; Y19-S21 VanDerWaalsContact O-N 3.12Å
20E36.8Very low40.1Very low184 Ų184150.3 Ų150.386%0.8679%0.793SS**  trans-63.7109.7163.1-89.2178161.900107.9A22E20-A22 PolarHBondContact O-N 3.05Å
21S38.4Very low40.5Very low105 Ų105145.7 Ų145.773%0.73478%0.776SS**  trans-55107.3171.2-176.60000108.9Y19 R23Y19-S21 PolarHBondContact O-N 2.89Å; Y19-S21 VanDerWaalsContact O-N 3.12Å; S21-R23 PolarHBondContact O-N 2.89Å
22A36.6Very low40.6Very low93 Ų93140.7 Ų140.777%0.76975%0.752SS**  trans-59.686.6163.300000108.2E20 N24E20-A22 PolarHBondContact O-N 3.05Å; A22-N24 PolarHBondContact O-N 2.84Å; A22-N24 VanDerWaalsContact O-N 3.1Å
23R37.5Very low41.2Very low201 Ų201139.5 Ų139.576%0.75875%0.752SS**  trans-58.6115.6165-99.6-173.7-178.6-171.51.7107S21 F25S21-R23 PolarHBondContact O-N 2.89Å; R23-F25 VanDerWaalsContact C-N 3.31Å; R23-F25 HydrophobicContact CB-CD2 4.23Å; R23-F25 HydrophobicContact CB-CE2 3.91Å; R23-F25 VanDerWaalsContact O-CD2 3.26Å; R23-F25 WeakPolarHBondContact O-CD2 3.32Å; R23-F25 PolarHBondContact O-N 2.86Å
24N37.6Very low42.2Very low166 Ų166136.1 Ų136.189%0.88874%0.738SS**  trans-46.590.9164.1-71.6-38.5000110.7A22A22-N24 PolarHBondContact O-N 2.84Å; A22-N24 VanDerWaalsContact O-N 3.1Å
25F36.5Very low43.1Very low154 Ų154133 Ų13368%0.67572%0.722SS**  trans-90.3134.5161.5-75.7-80.8000108R23R23-F25 VanDerWaalsContact C-N 3.31Å; R23-F25 HydrophobicContact CB-CD2 4.23Å; R23-F25 HydrophobicContact CB-CE2 3.91Å; R23-F25 VanDerWaalsContact O-CD2 3.26Å; R23-F25 WeakPolarHBondContact O-CD2 3.32Å; R23-F25 PolarHBondContact O-N 2.86Å
26P44.7Very low44Very low100 Ų100131.6 Ų131.665%0.64970%0.7SS**  trans-56.8147.3169.226.2-32.6000108.8Q28P26-Q28 PolarHBondContact O-N 3.17Å
27P43.9Very low44.9Very low118 Ų118128 Ų12877%0.76668%0.683SS**  trans-53.4111.3179.121.7-31.5000108.4F29P27-F29 PolarHBondContact O-N 3.15Å; P27-F29 VanDerWaalsContact O-N 3.16Å
28Q46.8Very low45.6Very low167 Ų167126.7 Ų126.778%0.7867%0.671SS**  trans-68.2113.4168.1-71-175.59.300104.7P26 A30P26-Q28 PolarHBondContact O-N 3.17Å; Q28-A30 PolarHBondContact O-N 3.1Å
29F44.4Very low46.6Very low193 Ų193125.8 Ų125.885%0.84666%0.661SS**  trans-49.4114.5166.4-71-88.2000106.6P27 I31P27-F29 PolarHBondContact O-N 3.15Å; P27-F29 VanDerWaalsContact O-N 3.16Å; F29-I31 VanDerWaalsContact C-N 3.26Å; F29-I31 PolarHBondContact O-N 3.49Å
30A45.5Very low47.3Very low97 Ų97120.9 Ų120.980%0.80265%0.65SS**  trans-58101.1168.100000105.6Q28 S32Q28-A30 PolarHBondContact O-N 3.1Å; A30-S32 PolarHBondContact O-N 3.47Å
31I49.3Very low48Very low103 Ų103116 Ų11653%0.52864%0.636SS.*  trans-60.8110.9168.1-61.1172.3000103.3F29 L35 N36F29-I31 VanDerWaalsContact C-N 3.26Å; F29-I31 PolarHBondContact O-N 3.49Å; I31-L35 HydrophobicContact CG2-CB 3.84Å; I31-N36 WeakPolarHBondContact CG2-OD1 3.46Å
32S47.5Very low48.4Very low39 Ų39118.6 Ų118.627%0.27363%0.634SS.*  trans-53.2142.4-176.363.70000109.1A30 I34 L35 N36A30-S32 PolarHBondContact O-N 3.47Å; S32-I34 PolarHBondContact O-N 3.35Å; S32-L35 PolarHBondContact O-N 3.41Å; S32-L35 WeakPolarHBondContact OG-CG 3.39Å; S32-L35 PolarHBondContact OG-N 3.03Å; S32-N36 PolarHBondContact O-N 2.97Å
33P55.6Low48.8Very low107 Ų107118.6 Ų118.670%0.69563%0.629SS**Hα-helixtrans-50.1-31.4175.1-25.532.5000112N36 A37P33-N36 PolarHBondContact O-N 2.95Å; P33-A37 WeakPolarHBondContact O-CB 3.27Å; P33-A37 PolarHBondContact O-N 2.92Å
34I56.6Low48.8Very low91 Ų91116 Ų11647%0.46763%0.628SS.*Hα-helixtrans-61.4-43.6175.2-57.7170.1000112S32 A37 L38S32-I34 PolarHBondContact O-N 3.35Å; I34-A37 PolarHBondContact O-N 2.91Å; I34-L38 HydrophobicContact CG2-CD1 3.94Å; I34-L38 WeakPolarHBondContact O-CB 3.45Å; I34-L38 WeakPolarHBondContact O-CG 3.22Å; I34-L38 PolarHBondContact O-N 3.37Å
35L59.1Low48.8Very low102 Ų102112.6 Ų112.653%0.53462%0.623SS.*Hα-helixtrans-70.7-32178.3-74173.9000112.5I31 S32 R39I31-L35 HydrophobicContact CG2-CB 3.84Å; S32-L35 PolarHBondContact O-N 3.41Å; S32-L35 WeakPolarHBondContact OG-CG 3.39Å; S32-L35 PolarHBondContact OG-N 3.03Å; L35-R39 WeakPolarHBondContact O-CB 3.5Å; L35-R39 PolarHBondContact O-N 2.89Å
36N53.7Low48.7Very low73 Ų73110.6 Ų110.639%0.3963%0.627SS.*Hα-helixtrans-71.1-42.5171-76.1-24.7000111.3I31 S32 P33 L38 R39 D40I31-N36 WeakPolarHBondContact CG2-OD1 3.46Å; S32-N36 PolarHBondContact O-N 2.97Å; P33-N36 PolarHBondContact O-N 2.95Å; N36-L38 PolarHBondContact O-N 3.44Å; N36-R39 WeakPolarHBondContact O-CB 3.25Å; N36-R39 PolarHBondContact O-N 3.13Å; N36-R39 VanDerWaalsContact O-N 3.14Å; N36-D40 PolarHBondContact O-N 3.46Å
37A58.8Low48Very low55 Ų55114 Ų11446%0.45564%0.639SS.*Hα-helixtrans-63-39.5177.100000112.8P33 I34 R39 D40 S41P33-A37 WeakPolarHBondContact O-CB 3.27Å; P33-A37 PolarHBondContact O-N 2.92Å; I34-A37 PolarHBondContact O-N 2.91Å; A37-R39 VanDerWaalsContact C-N 3.3Å; A37-R39 PolarHBondContact O-N 3.45Å; A37-D40 PolarHBondContact O-N 2.87Å; A37-S41 WeakPolarHBondContact O-CB 3.44Å; A37-S41 PolarHBondContact O-N 3.46Å; A37-S41 PolarHBondContact O-OG 3.45Å
38L55.1Low47.5Very low82 Ų82112.9 Ų112.943%0.42964%0.641SS.*Hα-helixtrans-70.8-24.4175-76.3168000113.3I34 N36 S41I34-L38 HydrophobicContact CG2-CD1 3.94Å; I34-L38 WeakPolarHBondContact O-CB 3.45Å; I34-L38 WeakPolarHBondContact O-CG 3.22Å; I34-L38 PolarHBondContact O-N 3.37Å; N36-L38 PolarHBondContact O-N 3.44Å; L38-S41 WeakPolarHBondContact CA-OG 3.41Å; L38-S41 PolarHBondContact O-OG 3.3Å
39R57.6Low46.8Very low194 Ų194110.4 Ų110.473%0.73264%0.642SS**Hα-helixtrans-77-38.2175.7-163.1177.2-172.4-176.21.3111.2L35 N36 A37L35-R39 WeakPolarHBondContact O-CB 3.5Å; L35-R39 PolarHBondContact O-N 2.89Å; N36-R39 WeakPolarHBondContact O-CB 3.25Å; N36-R39 PolarHBondContact O-N 3.13Å; N36-R39 VanDerWaalsContact O-N 3.14Å; A37-R39 VanDerWaalsContact C-N 3.3Å; A37-R39 PolarHBondContact O-N 3.45Å
40D50.4Low46.5Very low115 Ų115107.4 Ų107.462%0.61564%0.639SS**Hα-helixtrans-77.1-27.1178.5-65.7-22.2000112.2N36 A37 K42 S43N36-D40 PolarHBondContact O-N 3.46Å; A37-D40 PolarHBondContact O-N 2.87Å; D40-K42 VanDerWaalsContact C-N 3.29Å; D40-K42 PolarHBondContact O-N 2.96Å; D40-S43 PolarHBondContact O-N 3.31Å; D40-S43 PolarHBondContact O-OG 3.03Å
41S52.1Low46.2Very low81 Ų81108.7 Ų108.757%0.56664%0.637SS**THydrogen-bonded Turntrans-74-9.3179.671.10000115.3A37 L38 S43A37-S41 WeakPolarHBondContact O-CB 3.44Å; A37-S41 PolarHBondContact O-N 3.46Å; A37-S41 PolarHBondContact O-OG 3.45Å; L38-S41 WeakPolarHBondContact CA-OG 3.41Å; L38-S41 PolarHBondContact O-OG 3.3Å; S41-S43 VanDerWaalsContact C-N 3.33Å
42K46.3Very low45.3Very low159 Ų159111.1 Ų111.169%0.69165%0.651SS**THydrogen-bonded Turntrans-86.33.9176.2-75.6-175.8179.4178.10113.9D40 E155D40-K42 VanDerWaalsContact C-N 3.29Å; D40-K42 PolarHBondContact O-N 2.96Å; K42-E155 IonicContact NZ-OE2 2.95Å
43S46.7Very low45Very low94 Ų94120.8 Ų120.866%0.65768%0.682SS**SBendtrans-105.1-0.8-172.669.30000116.5D40 S41D40-S43 PolarHBondContact O-N 3.31Å; D40-S43 PolarHBondContact O-OG 3.03Å; S41-S43 VanDerWaalsContact C-N 3.33Å
44I36.8Very low43.9Very low145 Ų145122 Ų12274%0.74469%0.688SS**  trans-138.278.5-176-49.2177.8000111.2
45A37Very low43.2Very low95 Ų95123 Ų12379%0.78570%0.703SS**  trans-159.571.6157.800000107
46C35Very low42Very low113 Ų113127.1 Ų127.176%0.76472%0.719SS**  38.986.790-850000113.9A48C46-A48 PolarHBondContact O-N 3.25Å
47N30Very low41.4Very low170 Ų170130.2 Ų130.291%0.90974%0.741SS**  trans31.488.2135.2-60.7-16.3000116.8
48A33.9Very low40.1Very low96 Ų96133.2 Ų133.279%0.79376%0.755SS**  trans-129.6112.6153.400000108.8C46C46-A48 PolarHBondContact O-N 3.25Å
49S32.1Very low39.2Very low115 Ų115134.8 Ų134.880%0.80477%0.773SS**  trans-56.4132.9177.11400000112.4
50T38.4Very low37.9Very low129 Ų129130.6 Ų130.679%0.79177%0.774SS**  trans-149.5101.4148.328.60000110.5
51T37.3Very low36.9Very low124 Ų124128.4 Ų128.476%0.76178%0.778SS**  trans43.6118.9137.136.70000120.5R53T51-R53 PolarHBondContact O-N 3.48Å
52D31.9Very low36.1Very low154 Ų154130.6 Ų130.682%0.82479%0.788SS**  trans-32.7122.5155.3-87.4-41.5000114.1
53R39.6Very low35.3Very low243 Ų243128.8 Ų128.892%0.91779%0.793SS**  trans-135.895.4147.4-80.6-164.5171.2170-1.4109.2T51 S55T51-R53 PolarHBondContact O-N 3.48Å; R53-S55 PolarHBondContact O-N 2.88Å
54T32.4Very low34.8Very low132 Ų132130.8 Ų130.881%0.8179%0.794SS**  trans-60.4116.5159.946.40000110.1
55S43Very low34.6Very low113 Ų113129.4 Ų129.479%0.7979%0.789SS**  trans-153.5105.8147.364.70000109.2R53R53-S55 PolarHBondContact O-N 2.88Å
56E34.6Very low34.4Very low188 Ų188135.3 Ų135.388%0.87980%0.797SS**  trans-55.2131.2166.2-65.1168.9129.700111
57V40Very low34.3Very low138 Ų138133.8 Ų133.884%0.83679%0.787SS**  trans-151113.2134.2-177.20000107.8
58P31.8Very low34.8Very low117 Ų117135.2 Ų135.276%0.7679%0.786SS**  trans-95.6128.216733.5-24000109.2
59S36.1Very low34.8Very low116 Ų116140.6 Ų140.681%0.81179%0.792SS**  trans-159.6142.2154.8-1590000114.1
60S29.7Very low34.8Very low106 Ų106139.7 Ų139.774%0.74179%0.786SS**  trans-67.6142.5-167.248.60000116.5
61G31.1Very low34.4Very low68 Ų68139 Ų13970%0.70179%0.785SS**  57.7109.5127.200000119.1
62T33.7Very low34.2Very low127 Ų127138.1 Ų138.178%0.77978%0.78SS**  -174.1154.8128.719.30000110.7
63P29.9Very low34.3Very low122 Ų122136.9 Ų136.979%0.79278%0.778SS**  trans-90.3119-163.734.3-28.3000110.3
64I35.8Very low34.4Very low135 Ų135130.7 Ų130.769%0.69276%0.762SS**  trans-133114.9-174.3-62.3-177.9000112.5
65D32.5Very low34.6Very low117 Ų117129 Ų12963%0.62675%0.753SS**  trans64.7115.6140.8-68.3-30.4000123.2S67D65-S67 VanDerWaalsContact C-N 3.26Å; D65-S67 PolarHBondContact O-N 3.02Å
66K33.8Very low34.7Very low219 Ų219131.5 Ų131.595%0.95275%0.752SS**SBendtrans-6378.3150.8-60.8170.2-179.9174.40109.6
67S33.1Very low35.3Very low81 Ų81128.5 Ų128.557%0.56675%0.746SS**  trans-147.516.9172.663.60000115.6D65 F69D65-S67 VanDerWaalsContact C-N 3.26Å; D65-S67 PolarHBondContact O-N 3.02Å; S67-F69 PolarHBondContact O-N 3.33Å
68F39.1Very low35.4Very low200 Ų200124.1 Ų124.188%0.87773%0.73SS**  trans-77.729.1178.8-76-81.3000115.7
69F34.2Very low36.1Very low208 Ų208122.1 Ų122.191%0.91271%0.712SS**  trans-98.164.5158.2-89.4-84.8000109.1S67 S71S67-F69 PolarHBondContact O-N 3.33Å; F69-S71 PolarHBondContact O-N 3.3Å; F69-S71 VanDerWaalsContact O-N 3.16Å
70S32.1Very low36.7Very low97 Ų97119.8 Ų119.868%0.67870%0.7SS**  trans-76.896.3158.5-95.40000108T72S70-T72 PolarHBondContact O-N 2.94Å
71S30.3Very low37.5Very low113 Ų113122.3 Ų122.379%0.7970%0.697SS**  trans-60.675.2157.443.40000109.2F69 V73F69-S71 PolarHBondContact O-N 3.3Å; F69-S71 VanDerWaalsContact O-N 3.16Å; S71-V73 PolarHBondContact O-N 3.42Å
72T32.8Very low38.2Very low106 Ų106121.2 Ų121.265%0.6568%0.681SS**  trans-78.9100.5168.4-42.10000107.5S70 I74S70-T72 PolarHBondContact O-N 2.94Å; T72-I74 PolarHBondContact O-N 3.49Å; T72-I74 VanDerWaalsContact O-N 3.11Å
73V34.6Very low39Very low128 Ų128124 Ų12478%0.77668%0.678SS**  trans-50.4110.7171179.70000108.6S71S71-V73 PolarHBondContact O-N 3.42Å
74I41.1Very low40Very low114 Ų114126.3 Ų126.359%0.58568%0.675SS**  trans-65.9128.8165.3-60.1172.9000105.6T72 E76 L79T72-I74 PolarHBondContact O-N 3.49Å; T72-I74 VanDerWaalsContact O-N 3.11Å; I74-E76 PolarHBondContact O-N 3.47Å; I74-L79 HydrophobicContact CG2-CD1 4.05Å
75P37.1Very low40.6Very low95 Ų95123.8 Ų123.862%0.61766%0.663SS**  trans-64.610117526.1-30.6000108.1V77 G78P75-V77 PolarHBondContact O-N 2.97Å; P75-G78 PolarHBondContact O-N 3.39Å; P75-G78 VanDerWaalsContact O-N 3.12Å
76E45.7Very low41.3Very low167 Ų167119.7 Ų119.778%0.7865%0.648SS**Hα-helixtrans-55-18178.7-141.9179.4-179.300112.2I74 G78I74-E76 PolarHBondContact O-N 3.47Å; E76-G78 VanDerWaalsContact C-N 3.32Å; E76-G78 PolarHBondContact O-N 3.28Å
77V46.4Very low42.2Very low124 Ų124113.1 Ų113.175%0.75263%0.63SS**Hα-helixtrans-68.8-23.3-179.8-165.10000113.2P75P75-V77 PolarHBondContact O-N 2.97Å
78G41.5Very low43Very low47 Ų47116.7 Ų116.749%0.48564%0.638SS.*Hα-helixtrans-84.6-36.9178.100000114.6P75 E76 A82P75-G78 PolarHBondContact O-N 3.39Å; P75-G78 VanDerWaalsContact O-N 3.12Å; E76-G78 VanDerWaalsContact C-N 3.32Å; E76-G78 PolarHBondContact O-N 3.28Å; G78-A82 PolarHBondContact O-N 3.44Å
79L48.1Very low43.5Very low75 Ų75111.4 Ų111.439%0.39361%0.614SS.*Hα-helixtrans-76.6-32.1-174.5-94150.6000113.3I74 R83I74-L79 HydrophobicContact CG2-CD1 4.05Å; L79-R83 WeakPolarHBondContact O-CG 3.31Å; L79-R83 PolarHBondContact O-N 3.4Å
80A48.3Very low44.2Very low66 Ų66111.2 Ų111.255%0.54561%0.608SS.*Hα-helixtrans-70.4-33.8176.600000112.6K84A80-K84 PolarHBondContact O-N 3.39Å
81K46Very low45Very low159 Ų159115.6 Ų115.669%0.69162%0.617SS**Hα-helixtrans-75.4-37.7180-146.5172.9-175-178.80111.8L85K81-L85 PolarHBondContact O-N 2.89Å
82A46.2Very low45.9Very low45 Ų45120.5 Ų120.537%0.37262%0.618SS.*Hα-helixtrans-67.4-41174.200000112.7G78 K84 L85 G86G78-A82 PolarHBondContact O-N 3.44Å; A82-K84 PolarHBondContact O-N 3.46Å; A82-L85 PolarHBondContact O-N 3.02Å; A82-G86 PolarHBondContact O-N 3.21Å
83R49.4Very low46.9Very low187 Ų187121.8 Ų121.871%0.70662%0.617SS**Hα-helixtrans-68.6-32.9178.1-75.4179.9-178.2164.71.2113.7L79 S87L79-R83 WeakPolarHBondContact O-CG 3.31Å; L79-R83 PolarHBondContact O-N 3.4Å; R83-S87 PolarHBondContact O-N 3.45Å
84K51.2Low47.4Very low169 Ų169123.7 Ų123.774%0.73562%0.621SS**Hα-helixtrans-67.1-41.2175.7-117.6178.6179.8179.30111.8A80 A82 S87A80-K84 PolarHBondContact O-N 3.39Å; A82-K84 PolarHBondContact O-N 3.46Å; K84-S87 PolarHBondContact O-OG 3.26Å; K84-S87 VanDerWaalsContact O-OG 3.07Å
85L49.4Very low47.5Very low82 Ų82125.4 Ų125.443%0.42963%0.63SS.*Hα-helixtrans-73.2-40.4177.5-71.3163.2000112K81 A82 S87 Q88 F89K81-L85 PolarHBondContact O-N 2.89Å; A82-L85 PolarHBondContact O-N 3.02Å; L85-S87 PolarHBondContact O-N 3.08Å; L85-S87 VanDerWaalsContact O-N 3.09Å; L85-Q88 PolarHBondContact O-N 2.85Å; L85-F89 HydrophobicContact CD2-CE2 4.2Å; L85-F89 WeakPolarHBondContact O-CD2 3.47Å
86G46.5Very low47.9Very low31 Ų31126.5 Ų126.532%0.3263%0.63SS.*Hα-helixtrans-64.3-15.2179.200000115.6A82 R90A82-G86 PolarHBondContact O-N 3.21Å; G86-R90 PolarHBondContact O-NE 2.92Å
87S52.1Low48Very low82 Ų82127.2 Ų127.257%0.57364%0.638SS**Hα-helixtrans-88.3-30.517773.70000114R83 K84 L85R83-S87 PolarHBondContact O-N 3.45Å; K84-S87 PolarHBondContact O-OG 3.26Å; K84-S87 VanDerWaalsContact O-OG 3.07Å; L85-S87 PolarHBondContact O-N 3.08Å; L85-S87 VanDerWaalsContact O-N 3.09Å
88Q50.7Low47.9Very low155 Ų155125.4 Ų125.472%0.72464%0.636SS**Hα-helixtrans-81.3-25.3179.2-89.2-166.4-6.700113.8L85L85-Q88 PolarHBondContact O-N 2.85Å
89F50.2Low48.4Very low89 Ų89127.8 Ų127.839%0.3964%0.637SS.*G310 helixtrans-93.7-2-171.8-79.1-84.2000115.3L85 H91L85-F89 HydrophobicContact CD2-CE2 4.2Å; L85-F89 WeakPolarHBondContact O-CD2 3.47Å; F89-H91 VanDerWaalsContact C-N 3.27Å; F89-H91 PolarHBondContact O-N 3.3Å
90R49.6Very low48.4Very low204 Ų204133.8 Ų133.877%0.7766%0.66SS**G310 helixtrans-78.2-2.2-179.9-84.1-169.9-100.7-148.51115G86G86-R90 PolarHBondContact O-NE 2.92Å
91H47.5Very low48.3Very low189 Ų189135.6 Ų135.688%0.87567%0.666SS**G310 helixtrans-114.77.2-177.6-100.748.4000115.4F89F89-H91 VanDerWaalsContact C-N 3.27Å; F89-H91 PolarHBondContact O-N 3.3Å
92R49Very low48.1Very low217 Ų217134.5 Ų134.582%0.81968%0.675SS**SBendtrans-123.910.1-175.8-77.7-169.7171.5-164.6-2.2116.5
93Q53.4Low48.1Very low133 Ų133140.6 Ų140.662%0.62169%0.693SS**THydrogen-bonded Turntrans-94.317.1-169-75.3-174.93600117.2
94I47Very low47.6Very low168 Ų168136.9 Ų136.986%0.86270%0.703SS**THydrogen-bonded Turntrans-1071-178.9-62.3178.5000113.5
95L42.4Very low47.3Very low149 Ų149134.6 Ų134.678%0.7870%0.703SS**  trans-124.956.2-169.1-148.884.4000114.5
96L45.4Very low47.3Very low118 Ų118134.6 Ų134.662%0.61871%0.71SS**  trans-134.85.1173.8-107.6125.8000115.7
97I47.9Very low47.8Very low182 Ų182139.2 Ų139.293%0.93373%0.734SS**SBendtrans-90.2-0.3178.3-63.6173.4000112.3
98A43.5Very low48Very low86 Ų86142 Ų14271%0.71174%0.743SS**  trans-108.27.7-17200000116.7
99I52.5Low48.3Very low98 Ų98138.5 Ų138.550%0.50374%0.735SS.*SBendtrans-96.310.8-169.1-50.7179.1000114.1
100F48.5Very low48.8Very low200 Ų200140 Ų14088%0.87775%0.754SS**  trans-119.391.2165.9-73-79.1000110.8P102F100-P102 WeakPolarHBondContact O-CD 3.47Å
101P46.9Very low49.6Very low105 Ų105136.8 Ų136.868%0.68275%0.75SS**  trans-70.2119.8158.627.7-28.6000108.2K103P101-K103 PolarHBondContact O-N 3.49Å
102P40.2Very low51.1Low135 Ų135131.3 Ų131.388%0.87773%0.728SS**  trans-77.477.4165.833.5-29.1000106.5F100F100-P102 WeakPolarHBondContact O-CD 3.47Å
103K46.1Very low52.8Low174 Ų174127.5 Ų127.576%0.75772%0.719SS**  trans-137.4103.4170.9-140.3170.1-173.3175.80109.6P101 T105P101-K103 PolarHBondContact O-N 3.49Å; K103-T105 PolarHBondContact O-N 3.33Å
104A39Very low54.3Low109 Ų109126.3 Ų126.390%0.90172%0.717SS**  trans-46.4101.9171.800000110.8
105T44.8Very low56.2Low120 Ų120125.5 Ų125.574%0.73670%0.703SS**  trans-121.7108.6166.147.60000107.1K103K103-T105 PolarHBondContact O-N 3.33Å
106S50.5Low58.5Low82 Ų82121.6 Ų121.657%0.57369%0.685SS**  trans33.6119.5158.8-169.50000118.5D108S106-D108 PolarHBondContact O-N 2.95Å
107P56.8Low60.6Low129 Ų129121.9 Ų121.984%0.83868%0.682SS**THydrogen-bonded Turntrans-65.3-1.7177.527.3-33000115.5
108D57.1Low62.7Low140 Ų140118.9 Ų118.975%0.74966%0.664SS**THydrogen-bonded Turntrans-108.810.8-171.8-67.6-33.8000115.3S106S106-D108 PolarHBondContact O-N 2.95Å
109S56.4Low64.9Low82 Ų82119.6 Ų119.657%0.57366%0.655SS**SBendtrans-74.8123.6169.5750000109.1I111S109-I111 PolarHBondContact O-N 3.43Å
110P60.7Low66.8Low120 Ų120117.7 Ų117.778%0.77965%0.647SS**  trans-54123.317423-31.6000107.4D112P110-D112 PolarHBondContact O-N 3.02Å
111I65.5Low69Low136 Ų136110.8 Ų110.870%0.69762%0.624SS**  trans-50.1112.4173.9-67.6169.8000105.6S109 E113 V116S109-I111 PolarHBondContact O-N 3.43Å; I111-E113 PolarHBondContact O-N 3.4Å; I111-V116 HydrophobicContact CG2-CG2 3.28Å
112D79.5Confident71.2Confident74 Ų74109.7 Ų109.740%0.39661%0.61SS.*  trans-60.3103.9-179.3-178.5-1.3000107.2P110 N114 R115 V116P110-D112 PolarHBondContact O-N 3.02Å; D112-N114 PolarHBondContact O-N 2.94Å; D112-N114 VanDerWaalsContact OD1-CB 3.27Å; D112-N114 WeakPolarHBondContact OD1-CB 3.26Å; D112-N114 PolarHBondContact OD1-N 2.86Å; D112-N114 VanDerWaalsContact OD1-N 3.1Å; D112-N114 PolarHBondContact OD1-ND2 3.45Å; D112-N114 VanDerWaalsContact OD1-ND2 3.17Å; D112-R115 HydrophobicContact CB-CB 4.14Å; D112-R115 HydrophobicContact CB-CG 3.89Å; D112-R115 WeakPolarHBondContact O-CA 3.4Å; D112-R115 WeakPolarHBondContact O-CB 3.33Å; D112-R115 PolarHBondContact O-N 2.83Å; D112-V116 PolarHBondContact O-N 2.97Å; D112-V116 VanDerWaalsContact O-N 3.15Å
113E84.2Confident73.7Confident138 Ų138107.6 Ų107.665%0.64559%0.589SS**Hα-helixtrans-54.4-27.5-178.4-68.2-174.4177.800111.1I111 V116 K117I111-E113 PolarHBondContact O-N 3.4Å; E113-V116 PolarHBondContact O-N 3.25Å; E113-K117 WeakPolarHBondContact O-CB 3.49Å; E113-K117 VanDerWaalsContact O-CG 3.25Å; E113-K117 WeakPolarHBondContact O-CG 3.42Å; E113-K117 PolarHBondContact O-N 3.42Å; E113-K117 IonicContact OE2-NZ 3.98Å
114N86.2Confident76Confident107 Ų107104.7 Ų104.757%0.57258%0.578SS**Hα-helixtrans-69.1-40.5175.7-57-48.5000111.5D112 V116 K117 E118D112-N114 PolarHBondContact O-N 2.94Å; D112-N114 VanDerWaalsContact OD1-CB 3.27Å; D112-N114 WeakPolarHBondContact OD1-CB 3.26Å; D112-N114 PolarHBondContact OD1-N 2.86Å; D112-N114 VanDerWaalsContact OD1-N 3.1Å; D112-N114 PolarHBondContact OD1-ND2 3.45Å; D112-N114 VanDerWaalsContact OD1-ND2 3.17Å; N114-V116 VanDerWaalsContact C-N 3.34Å; N114-V116 PolarHBondContact O-N 3.48Å; N114-K117 PolarHBondContact O-N 3.37Å; N114-E118 WeakPolarHBondContact O-CB 3.36Å; N114-E118 PolarHBondContact O-N 3.38Å
115R87.1Confident78.7Confident151 Ų151104.8 Ų104.857%0.5756%0.56SS**Hα-helixtrans-63.8-40174.2-70.1179.668.9-162.5-0.1111.5D112 E118 I119D112-R115 HydrophobicContact CB-CB 4.14Å; D112-R115 HydrophobicContact CB-CG 3.89Å; D112-R115 WeakPolarHBondContact O-CA 3.4Å; D112-R115 WeakPolarHBondContact O-CB 3.33Å; D112-R115 PolarHBondContact O-N 2.83Å; R115-E118 PolarHBondContact O-N 2.75Å; R115-I119 WeakPolarHBondContact O-CB 3.44Å; R115-I119 WeakPolarHBondContact O-CD1 3.4Å; R115-I119 VanDerWaalsContact O-CG1 3.22Å; R115-I119 WeakPolarHBondContact O-CG1 3.38Å; R115-I119 PolarHBondContact O-N 2.95Å
116V88.8Confident81Confident67 Ų67103.8 Ų103.841%0.40655%0.55SS..Hα-helixtrans-65.1-44.1175.8178.30000110.8I111 D112 E113 N114 E118 I119 V120I111-V116 HydrophobicContact CG2-CG2 3.28Å; D112-V116 PolarHBondContact O-N 2.97Å; D112-V116 VanDerWaalsContact O-N 3.15Å; E113-V116 PolarHBondContact O-N 3.25Å; N114-V116 VanDerWaalsContact C-N 3.34Å; N114-V116 PolarHBondContact O-N 3.48Å; V116-E118 VanDerWaalsContact C-N 3.33Å; V116-E118 PolarHBondContact O-N 2.88Å; V116-I119 PolarHBondContact O-N 3.49Å; V116-V120 HydrophobicContact CG1-CG2 4.38Å; V116-V120 WeakPolarHBondContact O-CB 3.49Å; V116-V120 VanDerWaalsContact O-CG2 3.26Å; V116-V120 WeakPolarHBondContact O-CG2 3.33Å; V116-V120 PolarHBondContact O-N 3.34Å
117K89.9Confident83.2Confident125 Ų125106 Ų10654%0.54355%0.549SS..Hα-helixtrans-61.2-40.5175.8-74.7168.7-173.8164.50112.3E113 N114 V120 S121E113-K117 WeakPolarHBondContact O-CB 3.49Å; E113-K117 VanDerWaalsContact O-CG 3.25Å; E113-K117 WeakPolarHBondContact O-CG 3.42Å; E113-K117 PolarHBondContact O-N 3.42Å; E113-K117 IonicContact OE2-NZ 3.98Å; N114-K117 PolarHBondContact O-N 3.37Å; K117-V120 PolarHBondContact O-N 3.19Å; K117-S121 WeakPolarHBondContact O-CB 3.38Å; K117-S121 PolarHBondContact O-N 2.86Å
118E91.7Very high85Confident119 Ų119105 Ų10556%0.55654%0.536SS*.Hα-helixtrans-62.9-49.5175.8-173.4172.8-159.200111.2N114 R115 V116 V120 S121 E122N114-E118 WeakPolarHBondContact O-CB 3.36Å; N114-E118 PolarHBondContact O-N 3.38Å; R115-E118 PolarHBondContact O-N 2.75Å; V116-E118 VanDerWaalsContact C-N 3.33Å; V116-E118 PolarHBondContact O-N 2.88Å; E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 2.96Å; E118-S121 PolarHBondContact O-N 3.31Å; E118-S121 VanDerWaalsContact O-N 3.13Å; E118-E122 WeakPolarHBondContact O-CG 3.45Å; E118-E122 PolarHBondContact O-N 2.98Å
119I90.7Very high86.8Confident101 Ų101101.3 Ų101.352%0.51851%0.513SS..Hα-helixtrans-59.3-41.9176.7-68.2164.8000111.4R115 V116 E122 M123R115-I119 WeakPolarHBondContact O-CB 3.44Å; R115-I119 WeakPolarHBondContact O-CD1 3.4Å; R115-I119 VanDerWaalsContact O-CG1 3.22Å; R115-I119 WeakPolarHBondContact O-CG1 3.38Å; R115-I119 PolarHBondContact O-N 2.95Å; V116-I119 PolarHBondContact O-N 3.49Å; I119-E122 PolarHBondContact O-N 3.34Å; I119-M123 VanDerWaalsContact O-CB 3.31Å; I119-M123 WeakPolarHBondContact O-CB 3.47Å; I119-M123 PolarHBondContact O-N 3.44Å
120V92.9Very high88.6Confident58 Ų58103.5 Ų103.535%0.35251%0.514SS..Hα-helixtrans-63.7-43.5177170.80000110.7V116 K117 E118 M123 E124V116-V120 HydrophobicContact CG1-CG2 4.38Å; V116-V120 WeakPolarHBondContact O-CB 3.49Å; V116-V120 VanDerWaalsContact O-CG2 3.26Å; V116-V120 WeakPolarHBondContact O-CG2 3.33Å; V116-V120 PolarHBondContact O-N 3.34Å; K117-V120 PolarHBondContact O-N 3.19Å; E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 2.96Å; V120-M123 PolarHBondContact O-N 3.17Å; V120-E124 WeakPolarHBondContact O-CG 3.4Å; V120-E124 PolarHBondContact O-N 3.45Å
121S93.5Very high90.3Very high55 Ų55103.2 Ų103.239%0.38550%0.503SS..Hα-helixtrans-63.5-43.3177.2-1690000112.3K117 E118 M123 E124 Q125K117-S121 WeakPolarHBondContact O-CB 3.38Å; K117-S121 PolarHBondContact O-N 2.86Å; E118-S121 PolarHBondContact O-N 3.31Å; E118-S121 VanDerWaalsContact O-N 3.13Å; S121-M123 VanDerWaalsContact C-N 3.35Å; S121-E124 PolarHBondContact O-N 3.43Å; S121-Q125 WeakPolarHBondContact O-CG 3.42Å; S121-Q125 PolarHBondContact O-N 3Å
122E94Very high91.7Very high81 Ų8199.9 Ų99.938%0.37949%0.49SS..Hα-helixtrans-63.8-40.2175.2-71.2-171.8164.200112E118 I119 E124 Q125 L126E118-E122 WeakPolarHBondContact O-CG 3.45Å; E118-E122 PolarHBondContact O-N 2.98Å; I119-E122 PolarHBondContact O-N 3.34Å; E122-E124 VanDerWaalsContact C-N 3.34Å; E122-E124 PolarHBondContact O-N 3.43Å; E122-Q125 PolarHBondContact O-N 2.98Å; E122-L126 WeakPolarHBondContact O-CG 3.35Å; E122-L126 PolarHBondContact O-N 3.41Å
123M93.3Very high92.5Very high91 Ų91100.3 Ų100.345%0.44849%0.491SS..Hα-helixtrans-63.7-39.2176.2-177.2169.857.100111.9I119 V120 S121 L126 K127I119-M123 VanDerWaalsContact O-CB 3.31Å; I119-M123 WeakPolarHBondContact O-CB 3.47Å; I119-M123 PolarHBondContact O-N 3.44Å; V120-M123 PolarHBondContact O-N 3.17Å; S121-M123 VanDerWaalsContact C-N 3.35Å; M123-L126 PolarHBondContact O-N 2.89Å; M123-K127 WeakPolarHBondContact O-CG 3.34Å; M123-K127 PolarHBondContact O-N 3.41Å
124E94.4Very high93.1Very high113 Ų11396.9 Ų96.953%0.52848%0.483SS..Hα-helixtrans-64.6-41.8173.3-73.7177.9173.800112V120 S121 E122 L126 K127 L128V120-E124 WeakPolarHBondContact O-CG 3.4Å; V120-E124 PolarHBondContact O-N 3.45Å; S121-E124 PolarHBondContact O-N 3.43Å; E122-E124 VanDerWaalsContact C-N 3.34Å; E122-E124 PolarHBondContact O-N 3.43Å; E124-L126 PolarHBondContact O-N 3.45Å; E124-K127 PolarHBondContact O-N 3.34Å; E124-L128 WeakPolarHBondContact O-CG 3.3Å; E124-L128 PolarHBondContact O-N 3.02Å
125Q94Very high93.5Very high112 Ų11296.7 Ų96.752%0.52348%0.48SS..Hα-helixtrans-62.7-41.6174.5-70.618026.800112.1S121 E122 L128 K129S121-Q125 WeakPolarHBondContact O-CG 3.42Å; S121-Q125 PolarHBondContact O-N 3Å; E122-Q125 PolarHBondContact O-N 2.98Å; Q125-L128 PolarHBondContact O-N 3.49Å; Q125-K129 WeakPolarHBondContact O-CB 3.33Å; Q125-K129 PolarHBondContact O-N 2.98Å
126L94.3Very high93.9Very high99 Ų9994.7 Ų94.752%0.51848%0.478SS..Hα-helixtrans-65.6-38.4176-75.6172.6000112.1E122 M123 E124 K129 H130E122-L126 WeakPolarHBondContact O-CG 3.35Å; E122-L126 PolarHBondContact O-N 3.41Å; M123-L126 PolarHBondContact O-N 2.89Å; E124-L126 PolarHBondContact O-N 3.45Å; L126-K129 PolarHBondContact O-N 3.27Å; L126-H130 WeakPolarHBondContact O-CB 3.39Å; L126-H130 PolarHBondContact O-N 3.41Å
127K96Very high94.2Very high129 Ų12995.9 Ų95.956%0.56148%0.481SS*.Hα-helixtrans-60.8-47.6173.5-77.5175.5-179.4178.60111.6M123 E124 K129 H130 E131M123-K127 WeakPolarHBondContact O-CG 3.34Å; M123-K127 PolarHBondContact O-N 3.41Å; E124-K127 PolarHBondContact O-N 3.34Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 3.47Å; K127-H130 PolarHBondContact O-N 2.96Å; K127-E131 PolarHBondContact O-N 3.49Å
128L94.4Very high94.5Very high107 Ų10793.6 Ų93.656%0.5648%0.481SS*.Hα-helixtrans-61.4-40.6176.3-71.9171.5000111.9E124 Q125 E131 C132E124-L128 WeakPolarHBondContact O-CG 3.3Å; E124-L128 PolarHBondContact O-N 3.02Å; Q125-L128 PolarHBondContact O-N 3.49Å; L128-E131 PolarHBondContact O-N 3.2Å; L128-C132 PolarHBondContact O-N 3Å; L128-C132 PolarHBondContact O-SG 3.27Å
129K94.8Very high94.7Very high62 Ų6291.3 Ų91.327%0.2748%0.475SS..Hα-helixtrans-64.4-44.3175.8-174-175.9178.6-1700111.7Q125 L126 K127 E131 C132 M133Q125-K129 WeakPolarHBondContact O-CB 3.33Å; Q125-K129 PolarHBondContact O-N 2.98Å; L126-K129 PolarHBondContact O-N 3.27Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 3.47Å; K129-E131 VanDerWaalsContact C-N 3.33Å; K129-E131 PolarHBondContact O-N 2.72Å; K129-C132 PolarHBondContact O-N 2.83Å; K129-M133 HydrophobicContact CG-CE 4.46Å; K129-M133 HydrophobicContact CG-SD 4.5Å; K129-M133 WeakPolarHBondContact O-CG 3.4Å; K129-M133 PolarHBondContact O-N 2.87Å
130H95.7Very high95Very high128 Ų12890.3 Ų90.359%0.59347%0.471SS*.Hα-helixtrans-60.5-43.6176.5177.6-89.4000111.3L126 K127 M133 S134L126-H130 WeakPolarHBondContact O-CB 3.39Å; L126-H130 PolarHBondContact O-N 3.41Å; K127-H130 PolarHBondContact O-N 2.96Å; H130-M133 PolarHBondContact O-N 3.07Å; H130-S134 WeakPolarHBondContact O-CB 3.43Å; H130-S134 PolarHBondContact O-N 3.04Å
131E95.9Very high95.2Very high115 Ų11596.5 Ų96.554%0.53749%0.488SS..Hα-helixtrans-61.3-45.5175-171.2177.4-174.700112K127 L128 K129 M133 S134 I135K127-E131 PolarHBondContact O-N 3.49Å; L128-E131 PolarHBondContact O-N 3.2Å; K129-E131 VanDerWaalsContact C-N 3.33Å; K129-E131 PolarHBondContact O-N 2.72Å; E131-M133 PolarHBondContact O-N 2.95Å; E131-S134 WeakPolarHBondContact O-CB 3.35Å; E131-S134 PolarHBondContact O-N 3.43Å; E131-I135 HydrophobicContact CG-CD1 4.4Å; E131-I135 WeakPolarHBondContact O-CG1 3.33Å; E131-I135 PolarHBondContact O-N 3.05Å
132C94.5Very high95.4Very high65 Ų65100.6 Ų100.644%0.43950%0.5SS..Hα-helixtrans-59.2-45.4175.3-69.30000112.3L128 K129 S134 I135 E136L128-C132 PolarHBondContact O-N 3Å; L128-C132 PolarHBondContact O-SG 3.27Å; K129-C132 PolarHBondContact O-N 2.83Å; C132-S134 VanDerWaalsContact C-N 3.33Å; C132-S134 PolarHBondContact O-N 3.4Å; C132-I135 PolarHBondContact O-N 3.05Å; C132-E136 PolarHBondContact O-N 3.09Å
133M96Very high95.5Very high83 Ų83100.2 Ų100.241%0.40950%0.5SS..Hα-helixtrans-65.9-35.4177.1-69.9-173.2-5100112.1K129 H130 E131 E136 N137K129-M133 HydrophobicContact CG-CE 4.46Å; K129-M133 HydrophobicContact CG-SD 4.5Å; K129-M133 WeakPolarHBondContact O-CG 3.4Å; K129-M133 PolarHBondContact O-N 2.87Å; H130-M133 PolarHBondContact O-N 3.07Å; E131-M133 PolarHBondContact O-N 2.95Å; M133-E136 PolarHBondContact O-N 3.5Å; M133-N137 WeakPolarHBondContact O-CB 3.45Å; M133-N137 PolarHBondContact O-N 3.46Å; M133-N137 PolarHBondContact O-ND2 3.34Å
134S96.3Very high95.7Very high67 Ų67100.3 Ų100.347%0.46950%0.502SS..Hα-helixtrans-62.2-44.2175-177.50000111.3H130 E131 C132 N137 S138H130-S134 WeakPolarHBondContact O-CB 3.43Å; H130-S134 PolarHBondContact O-N 3.04Å; E131-S134 WeakPolarHBondContact O-CB 3.35Å; E131-S134 PolarHBondContact O-N 3.43Å; C132-S134 VanDerWaalsContact C-N 3.33Å; C132-S134 PolarHBondContact O-N 3.4Å; S134-N137 PolarHBondContact O-N 3.42Å; S134-S138 PolarHBondContact O-N 3.24Å
135I95.4Very high95.8Very high102 Ų10296.7 Ų96.752%0.52349%0.491SS..Hα-helixtrans-63.3-47175.5-65.4166.3000110.7E131 C132 N137 S138 V139E131-I135 HydrophobicContact CG-CD1 4.4Å; E131-I135 WeakPolarHBondContact O-CG1 3.33Å; E131-I135 PolarHBondContact O-N 3.05Å; C132-I135 PolarHBondContact O-N 3.05Å; I135-N137 PolarHBondContact O-N 3.18Å; I135-S138 WeakPolarHBondContact O-CB 3.36Å; I135-S138 PolarHBondContact O-N 3.43Å; I135-V139 WeakPolarHBondContact O-CG2 3.39Å; I135-V139 PolarHBondContact O-N 3.5Å
136E95.1Very high95.9Very high110 Ų11097 Ų9751%0.51449%0.49SS..Hα-helixtrans-60.2-44.3178.2-174.8171.1-167.800111.9C132 M133 S138 V139 L140C132-E136 PolarHBondContact O-N 3.09Å; M133-E136 PolarHBondContact O-N 3.5Å; E136-S138 VanDerWaalsContact C-N 3.32Å; E136-S138 PolarHBondContact O-N 2.9Å; E136-V139 PolarHBondContact O-N 2.89Å; E136-L140 HydrophobicContact CG-CD1 4.26Å; E136-L140 WeakPolarHBondContact O-CG 3.29Å; E136-L140 PolarHBondContact O-N 3.23Å
137N96.1Very high96.1Very high91 Ų9199 Ų9949%0.48750%0.495SS..Hα-helixtrans-61.1-39.1174.8-83.7-32.5000112.5M133 S134 I135 L140 R141M133-N137 WeakPolarHBondContact O-CB 3.45Å; M133-N137 PolarHBondContact O-N 3.46Å; M133-N137 PolarHBondContact O-ND2 3.34Å; S134-N137 PolarHBondContact O-N 3.42Å; I135-N137 PolarHBondContact O-N 3.18Å; N137-L140 PolarHBondContact O-N 3.48Å; N137-R141 VanDerWaalsContact O-CG 3.3Å; N137-R141 WeakPolarHBondContact O-CG 3.36Å; N137-R141 PolarHBondContact O-N 3.47Å
138S96.3Very high96.1Very high77 Ų7798.1 Ų98.154%0.53849%0.493SS..Hα-helixtrans-62.7-44.9175.1-176.40000111.7S134 I135 E136 L140 R141 H142S134-S138 PolarHBondContact O-N 3.24Å; I135-S138 WeakPolarHBondContact O-CB 3.36Å; I135-S138 PolarHBondContact O-N 3.43Å; E136-S138 VanDerWaalsContact C-N 3.32Å; E136-S138 PolarHBondContact O-N 2.9Å; S138-L140 PolarHBondContact O-N 2.99Å; S138-R141 PolarHBondContact O-N 3.28Å; S138-H142 PolarHBondContact O-N 2.87Å; S138-H142 VanDerWaalsContact O-N 3.1Å
139V96.1Very high96.2Very high71 Ų7199.3 Ų99.343%0.4350%0.496SS..Hα-helixtrans-62.6-43.8176.1173.50000111.2I135 E136 R141 H142 I143I135-V139 WeakPolarHBondContact O-CG2 3.39Å; I135-V139 PolarHBondContact O-N 3.5Å; E136-V139 PolarHBondContact O-N 2.89Å; V139-R141 PolarHBondContact O-N 3.44Å; V139-H142 PolarHBondContact O-N 2.95Å; V139-I143 HydrophobicContact CG1-CD1 3.87Å; V139-I143 HydrophobicContact CG1-CG1 4.45Å; V139-I143 WeakPolarHBondContact O-CG1 3.39Å; V139-I143 PolarHBondContact O-N 3.21Å
140L96.7Very high96.3Very high81 Ų8199.9 Ų99.942%0.42451%0.508SS..Hα-helixtrans-62.1-41.7177.8-73.1170.5000112E136 N137 S138 H142 I143 I144E136-L140 HydrophobicContact CG-CD1 4.26Å; E136-L140 WeakPolarHBondContact O-CG 3.29Å; E136-L140 PolarHBondContact O-N 3.23Å; N137-L140 PolarHBondContact O-N 3.48Å; S138-L140 PolarHBondContact O-N 2.99Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 2.99Å; L140-I143 PolarHBondContact O-N 3.44Å; L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.4Å; L140-I144 PolarHBondContact O-N 3.1Å
141R97.1Very high96.4Very high188 Ų18898 Ų9871%0.70950%0.499SS*.Hα-helixtrans-59.5-42174.3-73.5173.6-172.6-982111.8N137 S138 V139 I144 A145N137-R141 VanDerWaalsContact O-CG 3.3Å; N137-R141 WeakPolarHBondContact O-CG 3.36Å; N137-R141 PolarHBondContact O-N 3.47Å; S138-R141 PolarHBondContact O-N 3.28Å; V139-R141 PolarHBondContact O-N 3.44Å; R141-I144 PolarHBondContact O-N 3Å; R141-A145 PolarHBondContact O-N 3.38Å
142H96.6Very high96.4Very high140 Ų14095.2 Ų95.265%0.64849%0.49SS*.Hα-helixtrans-66.5-39.8176.7-17156000112.6S138 V139 L140 A145 K146S138-H142 PolarHBondContact O-N 2.87Å; S138-H142 VanDerWaalsContact O-N 3.1Å; V139-H142 PolarHBondContact O-N 2.95Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 2.99Å; H142-A145 PolarHBondContact O-N 3.35Å; H142-K146 WeakPolarHBondContact O-CB 3.3Å; H142-K146 PolarHBondContact O-N 2.99Å
143I96.2Very high96.5Very high73 Ų7394.6 Ų94.637%0.37449%0.489SS..Hα-helixtrans-63-42.5174.8-68.4167.7000111V139 L140 K146 K147V139-I143 HydrophobicContact CG1-CD1 3.87Å; V139-I143 HydrophobicContact CG1-CG1 4.45Å; V139-I143 WeakPolarHBondContact O-CG1 3.39Å; V139-I143 PolarHBondContact O-N 3.21Å; L140-I143 PolarHBondContact O-N 3.44Å; I143-K146 PolarHBondContact O-N 3.45Å; I143-K147 HydrophobicContact CG2-CD 4.41Å; I143-K147 WeakPolarHBondContact O-CG 3.48Å; I143-K147 PolarHBondContact O-N 3.04Å
144I97.5Very high96.6Very high93 Ų9395.8 Ų95.848%0.47750%0.497SS..Hα-helixtrans-61.7-50.2177.1-70165.8000110L140 R141 K146 K147 E148L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.4Å; L140-I144 PolarHBondContact O-N 3.1Å; R141-I144 PolarHBondContact O-N 3Å; I144-K146 VanDerWaalsContact C-N 3.32Å; I144-K146 PolarHBondContact O-N 3.23Å; I144-K147 WeakPolarHBondContact O-CA 3.4Å; I144-K147 WeakPolarHBondContact O-CB 3.45Å; I144-K147 PolarHBondContact O-N 3.02Å; I144-E148 HydrophobicContact CG2-CG 4.38Å; I144-E148 WeakPolarHBondContact O-CG 3.44Å; I144-E148 PolarHBondContact O-N 2.85Å
145A97Very high96.6Very high37 Ų3796.3 Ų96.331%0.30649%0.492SS..Hα-helixtrans-56.3-45.1177.800000112.1R141 H142 K147 E148 E149R141-A145 PolarHBondContact O-N 3.38Å; H142-A145 PolarHBondContact O-N 3.35Å; A145-K147 VanDerWaalsContact C-N 3.32Å; A145-K147 PolarHBondContact O-N 3.17Å; A145-E148 PolarHBondContact O-N 3.44Å; A145-E149 WeakPolarHBondContact O-CG 3.5Å; A145-E149 PolarHBondContact O-N 2.85Å
146K96.8Very high96.7Very high118 Ų11899.4 Ų99.451%0.51350%0.497SS..Hα-helixtrans-62.7-37.3176.3-174174-177.8173.20112.6H142 I143 I144 S150H142-K146 WeakPolarHBondContact O-CB 3.3Å; H142-K146 PolarHBondContact O-N 2.99Å; I143-K146 PolarHBondContact O-N 3.45Å; I144-K146 VanDerWaalsContact C-N 3.32Å; I144-K146 PolarHBondContact O-N 3.23Å; K146-S150 PolarHBondContact O-N 3.03Å
147K97.1Very high96.8Very high141 Ų141100.7 Ų100.761%0.61350%0.501SS*.Hα-helixtrans-67.5-42.2175.1-77.3-175.3176.7-172.70111.4I143 I144 A145 S150 Q151I143-K147 HydrophobicContact CG2-CD 4.41Å; I143-K147 WeakPolarHBondContact O-CG 3.48Å; I143-K147 PolarHBondContact O-N 3.04Å; I144-K147 WeakPolarHBondContact O-CA 3.4Å; I144-K147 WeakPolarHBondContact O-CB 3.45Å; I144-K147 PolarHBondContact O-N 3.02Å; A145-K147 VanDerWaalsContact C-N 3.32Å; A145-K147 PolarHBondContact O-N 3.17Å; K147-S150 PolarHBondContact O-N 3.26Å; K147-S150 PolarHBondContact O-OG 3.14Å; K147-Q151 WeakPolarHBondContact O-CB 3.39Å; K147-Q151 PolarHBondContact O-N 3.21Å
148E97.3Very high96.9Very high112 Ų11299.8 Ų99.852%0.52350%0.499SS..Hα-helixtrans-62.2-41.7175.5-70.4174.5167.100111.7I144 A145 S150 Q151 T152I144-E148 HydrophobicContact CG2-CG 4.38Å; I144-E148 WeakPolarHBondContact O-CG 3.44Å; I144-E148 PolarHBondContact O-N 2.85Å; A145-E148 PolarHBondContact O-N 3.44Å; E148-S150 PolarHBondContact O-N 2.89Å; E148-Q151 PolarHBondContact O-N 3.34Å; E148-T152 WeakPolarHBondContact O-CG2 3.38Å; E148-T152 PolarHBondContact O-N 3.02Å; E148-T152 PolarHBondContact O-OG1 2.72Å
149E96.5Very high97Very high132 Ų132102.8 Ų102.862%0.61750%0.504SS*.Hα-helixtrans-59.2-46.4172.2-73.7174.9-174.400111.8A145 Q151 T152 A153A145-E149 WeakPolarHBondContact O-CG 3.5Å; A145-E149 PolarHBondContact O-N 2.85Å; E149-Q151 VanDerWaalsContact C-N 3.32Å; E149-Q151 PolarHBondContact O-N 3.33Å; E149-T152 PolarHBondContact O-N 2.89Å; E149-T152 PolarHBondContact O-OG1 3.22Å; E149-A153 WeakPolarHBondContact O-CB 3.42Å; E149-A153 PolarHBondContact O-N 3.38Å
150S95.6Very high97.1Very high74 Ų74104.1 Ų104.152%0.51751%0.508SS..Hα-helixtrans-65-36.2177.774.40000112.7K146 K147 E148 L154K146-S150 PolarHBondContact O-N 3.03Å; K147-S150 PolarHBondContact O-N 3.26Å; K147-S150 PolarHBondContact O-OG 3.14Å; E148-S150 PolarHBondContact O-N 2.89Å; S150-L154 WeakPolarHBondContact O-CB 3.49Å; S150-L154 PolarHBondContact O-N 3.44Å
151Q97.7Very high97.1Very high87 Ų87104.1 Ų104.141%0.40751%0.508SS..Hα-helixtrans-66.5-48.7176.4179.5179.3-16.600110.5K147 E148 E149 A153 L154 E155K147-Q151 WeakPolarHBondContact O-CB 3.39Å; K147-Q151 PolarHBondContact O-N 3.21Å; E148-Q151 PolarHBondContact O-N 3.34Å; E149-Q151 VanDerWaalsContact C-N 3.32Å; E149-Q151 PolarHBondContact O-N 3.33Å; Q151-A153 VanDerWaalsContact C-N 3.29Å; Q151-A153 PolarHBondContact O-N 2.98Å; Q151-L154 PolarHBondContact O-N 3.39Å; Q151-L154 VanDerWaalsContact O-N 3.11Å; Q151-E155 HydrophobicContact CG-CG 4.46Å; Q151-E155 PolarHBondContact NE2-OE1 2.87Å; Q151-E155 WeakPolarHBondContact O-CG 3.41Å; Q151-E155 PolarHBondContact O-N 3.12Å
152T96.7Very high97.1Very high58 Ų58100.4 Ų100.436%0.35650%0.502SS..Hα-helixtrans-62.8-36.2178.157.40000112E148 E149 R156E148-T152 WeakPolarHBondContact O-CG2 3.38Å; E148-T152 PolarHBondContact O-N 3.02Å; E148-T152 PolarHBondContact O-OG1 2.72Å; E149-T152 PolarHBondContact O-N 2.89Å; E149-T152 PolarHBondContact O-OG1 3.22Å; T152-R156 WeakPolarHBondContact O-CG 3.34Å; T152-R156 PolarHBondContact O-N 3.19Å; T152-R156 VanDerWaalsContact O-N 3.13Å
153A96.8Very high97.2Very high51 Ų51100.1 Ų100.142%0.42150%0.499SS..Hα-helixtrans-64.4-40.8172.800000112.5E149 Q151 K157E149-A153 WeakPolarHBondContact O-CB 3.42Å; E149-A153 PolarHBondContact O-N 3.38Å; Q151-A153 VanDerWaalsContact C-N 3.29Å; Q151-A153 PolarHBondContact O-N 2.98Å; A153-K157 PolarHBondContact O-N 3.39Å; A153-K157 VanDerWaalsContact O-N 3.15Å
154L96.8Very high97.2Very high109 Ų109101 Ų10157%0.57150%0.501SS*.Hα-helixtrans-67.3-42.3176.5-173.363.9000111.7S150 Q151 R156 K157 V158S150-L154 WeakPolarHBondContact O-CB 3.49Å; S150-L154 PolarHBondContact O-N 3.44Å; Q151-L154 PolarHBondContact O-N 3.39Å; Q151-L154 VanDerWaalsContact O-N 3.11Å; L154-R156 PolarHBondContact O-N 3.23Å; L154-K157 WeakPolarHBondContact O-CB 3.45Å; L154-K157 PolarHBondContact O-N 3.01Å; L154-K157 VanDerWaalsContact O-N 3.12Å; L154-V158 WeakPolarHBondContact O-CG2 3.35Å; L154-V158 PolarHBondContact O-N 3.41Å
155E97.6Very high97.2Very high78 Ų78100.1 Ų100.136%0.36450%0.498SS..Hα-helixtrans-57.2-46.3175.8-74.3179.3-172.100111.2K42 Q151 K157 V158 E159K42-E155 IonicContact NZ-OE2 2.95Å; Q151-E155 HydrophobicContact CG-CG 4.46Å; Q151-E155 PolarHBondContact NE2-OE1 2.87Å; Q151-E155 WeakPolarHBondContact O-CG 3.41Å; Q151-E155 PolarHBondContact O-N 3.12Å; E155-K157 VanDerWaalsContact C-N 3.33Å; E155-K157 PolarHBondContact O-N 2.94Å; E155-V158 PolarHBondContact O-N 3.28Å; E155-E159 PolarHBondContact O-N 3.48Å
156R97.2Very high97.3Very high166 Ų166102.8 Ų102.863%0.62650%0.504SS*.Hα-helixtrans-60.7-39.5174.7-68.8-179.6-153.71285.4112.7T152 L154 E159 L160T152-R156 WeakPolarHBondContact O-CG 3.34Å; T152-R156 PolarHBondContact O-N 3.19Å; T152-R156 VanDerWaalsContact O-N 3.13Å; L154-R156 PolarHBondContact O-N 3.23Å; R156-E159 PolarHBondContact O-N 3.02Å; R156-L160 PolarHBondContact O-N 3.29Å
157K97.8Very high97.3Very high137 Ų137102.1 Ų102.160%0.59650%0.503SS*.Hα-helixtrans-66.9-40.1177.9-172176-178.6179.60111.6A153 L154 E155 L160 L161A153-K157 PolarHBondContact O-N 3.39Å; A153-K157 VanDerWaalsContact O-N 3.15Å; L154-K157 WeakPolarHBondContact O-CB 3.45Å; L154-K157 PolarHBondContact O-N 3.01Å; L154-K157 VanDerWaalsContact O-N 3.12Å; E155-K157 VanDerWaalsContact C-N 3.33Å; E155-K157 PolarHBondContact O-N 2.94Å; K157-L160 PolarHBondContact O-N 3.24Å; K157-L161 HydrophobicContact CG-CD1 4.4Å; K157-L161 WeakPolarHBondContact O-CG 3.45Å; K157-L161 PolarHBondContact O-N 2.85Å
158V97.5Very high97.3Very high72 Ų72101 Ų10144%0.43650%0.503SS..Hα-helixtrans-63-45.5175.1170.80000110.5L154 E155 L160 L161 L162L154-V158 WeakPolarHBondContact O-CG2 3.35Å; L154-V158 PolarHBondContact O-N 3.41Å; E155-V158 PolarHBondContact O-N 3.28Å; V158-L160 PolarHBondContact O-N 3.47Å; V158-L161 PolarHBondContact O-N 3.02Å; V158-L162 HydrophobicContact CG1-CD1 4.08Å; V158-L162 HydrophobicContact CG1-CG 4.41Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 3.49Å
159E97.9Very high97.2Very high141 Ų141102.5 Ų102.566%0.65950%0.503SS*.Hα-helixtrans-59.9-43.8177.1-171.9175.9-170.700112.3E155 R156 L161 L162 K163E155-E159 PolarHBondContact O-N 3.48Å; R156-E159 PolarHBondContact O-N 3.02Å; E159-L161 PolarHBondContact O-N 3.24Å; E159-L162 PolarHBondContact O-N 3.02Å; E159-K163 PolarHBondContact O-N 3Å
160L97.6Very high97.2Very high98 Ų9899 Ų9951%0.51349%0.491SS..Hα-helixtrans-60.2-45.3175.1-177.966.5000112.1R156 K157 V158 L162 K163 Q164R156-L160 PolarHBondContact O-N 3.29Å; K157-L160 PolarHBondContact O-N 3.24Å; V158-L160 PolarHBondContact O-N 3.47Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 2.88Å; L160-K163 PolarHBondContact O-N 3.3Å; L160-Q164 WeakPolarHBondContact O-CG 3.45Å; L160-Q164 PolarHBondContact O-N 2.81Å
161L97.3Very high97.2Very high82 Ų8297.5 Ų97.543%0.42948%0.484SS..Hα-helixtrans-66.2-34.4178.3-73.6172000112.3K157 V158 E159 N165K157-L161 HydrophobicContact CG-CD1 4.4Å; K157-L161 WeakPolarHBondContact O-CG 3.45Å; K157-L161 PolarHBondContact O-N 2.85Å; V158-L161 PolarHBondContact O-N 3.02Å; E159-L161 PolarHBondContact O-N 3.24Å; L161-N165 WeakPolarHBondContact O-CB 3.41Å; L161-N165 PolarHBondContact O-N 3.13Å; L161-N165 PolarHBondContact O-ND2 2.85Å
162L97.7Very high97.1Very high110 Ų110101.5 Ų101.558%0.57650%0.495SS*.Hα-helixtrans-65.3-42.9173.6-73.1173.5000111.1V158 E159 L160 N165 E166V158-L162 HydrophobicContact CG1-CD1 4.08Å; V158-L162 HydrophobicContact CG1-CG 4.41Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 3.49Å; E159-L162 PolarHBondContact O-N 3.02Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 2.88Å; L162-N165 PolarHBondContact O-N 3.28Å; L162-E166 PolarHBondContact O-N 2.85Å
163K98Very high96.9Very high134 Ų134102 Ų10258%0.58350%0.5SS*.Hα-helixtrans-61.2-47.6174.8-174.2-179.4176.6-177.10111.9E159 L160 N165 E166 E167E159-K163 PolarHBondContact O-N 3Å; L160-K163 PolarHBondContact O-N 3.3Å; K163-N165 VanDerWaalsContact C-N 3.34Å; K163-N165 PolarHBondContact O-N 3.26Å; K163-E166 PolarHBondContact O-N 3.11Å; K163-E166 VanDerWaalsContact O-N 3.15Å; K163-E167 WeakPolarHBondContact CE-OE1 3.41Å; K163-E167 WeakPolarHBondContact O-CG 3.45Å; K163-E167 PolarHBondContact O-N 3.44Å
164Q97.6Very high96.7Very high90 Ų90107.5 Ų107.542%0.42151%0.51SS..Hα-helixtrans-61.5-40.2176.6-73178.5-19.900112.4L160 E166 E167 L168L160-Q164 WeakPolarHBondContact O-CG 3.45Å; L160-Q164 PolarHBondContact O-N 2.81Å; Q164-E166 VanDerWaalsContact C-N 3.3Å; Q164-E166 PolarHBondContact O-N 3Å; Q164-E167 PolarHBondContact O-N 2.94Å; Q164-L168 WeakPolarHBondContact O-CG 3.45Å; Q164-L168 PolarHBondContact O-N 3.44Å
165N97.2Very high96.5Very high75 Ų75106 Ų10640%0.40151%0.507SS..Hα-helixtrans-62.3-37.9174.9-88.9-52.7000112.2L161 L162 K163 L168 R169L161-N165 WeakPolarHBondContact O-CB 3.41Å; L161-N165 PolarHBondContact O-N 3.13Å; L161-N165 PolarHBondContact O-ND2 2.85Å; L162-N165 PolarHBondContact O-N 3.28Å; K163-N165 VanDerWaalsContact C-N 3.34Å; K163-N165 PolarHBondContact O-N 3.26Å; N165-L168 PolarHBondContact O-N 3.39Å; N165-R169 WeakPolarHBondContact O-CG 3.36Å; N165-R169 PolarHBondContact O-N 2.97Å
166E97.8Very high96.3Very high94 Ų94108.2 Ų108.244%0.43952%0.516SS..Hα-helixtrans-69.9-40.1177-165.353.5-144.600112.2L162 K163 Q164 L168 R169 T170L162-E166 PolarHBondContact O-N 2.85Å; K163-E166 PolarHBondContact O-N 3.11Å; K163-E166 VanDerWaalsContact O-N 3.15Å; Q164-E166 VanDerWaalsContact C-N 3.3Å; Q164-E166 PolarHBondContact O-N 3Å; E166-L168 VanDerWaalsContact C-N 3.31Å; E166-L168 PolarHBondContact O-N 3.37Å; E166-R169 PolarHBondContact O-N 2.99Å; E166-R169 IonicContact OE2-CZ 3.98Å; E166-R169 IonicContact OE2-NH1 3.58Å; E166-R169 PolarHBondContact OE2-NH1 2.9Å; E166-T170 WeakPolarHBondContact O-CG2 3.34Å; E166-T170 PolarHBondContact O-N 3.11Å; E166-T170 PolarHBondContact O-OG1 3.41Å
167E97Very high96.1Very high104 Ų104106.6 Ų106.649%0.48652%0.515SS..Hα-helixtrans-58.5-42.1170.8-70.8171.3-171.600111.6K163 Q164 T170 A171K163-E167 WeakPolarHBondContact CE-OE1 3.41Å; K163-E167 WeakPolarHBondContact O-CG 3.45Å; K163-E167 PolarHBondContact O-N 3.44Å; Q164-E167 PolarHBondContact O-N 2.94Å; E167-T170 WeakPolarHBondContact CA-OG1 3.4Å; E167-T170 PolarHBondContact O-N 2.93Å; E167-T170 PolarHBondContact O-OG1 3.38Å; E167-A171 VanDerWaalsContact O-CB 3.3Å; E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 3.44Å
168L96.7Very high95.7Very high117 Ų117103.7 Ų103.761%0.61351%0.511SS*.Hα-helixtrans-66.6-37.7175.1-72.7173.2000112.8Q164 N165 E166 R172Q164-L168 WeakPolarHBondContact O-CG 3.45Å; Q164-L168 PolarHBondContact O-N 3.44Å; N165-L168 PolarHBondContact O-N 3.39Å; E166-L168 VanDerWaalsContact C-N 3.31Å; E166-L168 PolarHBondContact O-N 3.37Å; L168-R172 WeakPolarHBondContact O-CB 3.44Å; L168-R172 PolarHBondContact O-N 3.39Å
169R96.1Very high95.3Very high143 Ų143109.4 Ų109.454%0.5453%0.525SS..Hα-helixtrans-64.8-45.6175.5-76-179-168.5130.31.1111.7N165 E166 R172 C173N165-R169 WeakPolarHBondContact O-CG 3.36Å; N165-R169 PolarHBondContact O-N 2.97Å; E166-R169 PolarHBondContact O-N 2.99Å; E166-R169 IonicContact OE2-CZ 3.98Å; E166-R169 IonicContact OE2-NH1 3.58Å; E166-R169 PolarHBondContact OE2-NH1 2.9Å; R169-R172 PolarHBondContact O-N 3.06Å; R169-C173 PolarHBondContact O-N 2.94Å; R169-C173 PolarHBondContact O-SG 3.35Å
170T96.6Very high95Very high58 Ų58109.3 Ų109.336%0.35652%0.522SS..Hα-helixtrans-64.5-42.7177.257.40000111.2E166 E167 R172 C173 R174E166-T170 WeakPolarHBondContact O-CG2 3.34Å; E166-T170 PolarHBondContact O-N 3.11Å; E166-T170 PolarHBondContact O-OG1 3.41Å; E167-T170 WeakPolarHBondContact CA-OG1 3.4Å; E167-T170 PolarHBondContact O-N 2.93Å; E167-T170 PolarHBondContact O-OG1 3.38Å; T170-R172 PolarHBondContact O-N 2.72Å; T170-C173 PolarHBondContact O-N 2.82Å; T170-R174 WeakPolarHBondContact O-CG 3.39Å; T170-R174 PolarHBondContact O-N 3.28Å
171A95.4Very high94.7Very high44 Ų44107.4 Ų107.436%0.36452%0.521SS..Hα-helixtrans-60.5-42.5173.400000112.3E167 C173 R174 C175E167-A171 VanDerWaalsContact O-CB 3.3Å; E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 3.44Å; A171-C173 VanDerWaalsContact C-N 3.34Å; A171-C173 PolarHBondContact O-N 2.96Å; A171-R174 PolarHBondContact O-N 2.91Å; A171-C175 WeakPolarHBondContact O-CB 3.42Å; A171-C175 PolarHBondContact O-N 3.48Å; A171-C175 PolarHBondContact O-SG 3.24Å; A171-C175 VanDerWaalsContact O-SG 3.41Å
172R95.2Very high94.4Very high171 Ų171110.8 Ų110.865%0.64553%0.532SS*.Hα-helixtrans-61.9-40.4175.7-175.1-178.2-176.6-170.12112L168 R169 T170 C175 K176L168-R172 WeakPolarHBondContact O-CB 3.44Å; L168-R172 PolarHBondContact O-N 3.39Å; R169-R172 PolarHBondContact O-N 3.06Å; T170-R172 PolarHBondContact O-N 2.72Å; R172-C175 PolarHBondContact O-N 2.99Å; R172-K176 WeakPolarHBondContact O-CG 3.4Å; R172-K176 PolarHBondContact O-N 3.04Å
173C93.4Very high94Very high67 Ų67109.1 Ų109.145%0.45353%0.527SS..Hα-helixtrans-63.2-48.8176.5-65.30000110.9R169 T170 A171 C175 K176 E177R169-C173 PolarHBondContact O-N 2.94Å; R169-C173 PolarHBondContact O-SG 3.35Å; T170-C173 PolarHBondContact O-N 2.82Å; A171-C173 VanDerWaalsContact C-N 3.34Å; A171-C173 PolarHBondContact O-N 2.96Å; C173-C175 VanDerWaalsContact C-N 3.31Å; C173-C175 PolarHBondContact O-N 3.28Å; C173-K176 WeakPolarHBondContact O-CB 3.39Å; C173-K176 PolarHBondContact O-N 3Å; C173-E177 WeakPolarHBondContact O-CG 3.35Å; C173-E177 PolarHBondContact O-N 3.04Å
174R92.6Very high93.6Very high168 Ų168105.9 Ų105.963%0.63452%0.516SS*.Hα-helixtrans-56.6-43.2174.3-67.6177.1-173.2170.13.4112.2T170 A171 K176 E177 C178T170-R174 WeakPolarHBondContact O-CG 3.39Å; T170-R174 PolarHBondContact O-N 3.28Å; A171-R174 PolarHBondContact O-N 2.91Å; R174-K176 VanDerWaalsContact C-N 3.34Å; R174-K176 PolarHBondContact O-N 3.44Å; R174-E177 PolarHBondContact O-N 3.45Å; R174-C178 WeakPolarHBondContact O-CB 3.49Å; R174-C178 PolarHBondContact O-N 3.15Å; R174-C178 PolarHBondContact O-SG 3.2Å
175C92.1Very high93.1Very high77 Ų77103.8 Ų103.852%0.5251%0.511SS..Hα-helixtrans-62.7-37.5176.3-77.40000113.1A171 R172 C173 R179A171-C175 WeakPolarHBondContact O-CB 3.42Å; A171-C175 PolarHBondContact O-N 3.48Å; A171-C175 PolarHBondContact O-SG 3.24Å; A171-C175 VanDerWaalsContact O-SG 3.41Å; R172-C175 PolarHBondContact O-N 2.99Å; C173-C175 VanDerWaalsContact C-N 3.31Å; C173-C175 PolarHBondContact O-N 3.28Å; C175-R179 WeakPolarHBondContact O-CG 3.44Å; C175-R179 PolarHBondContact O-N 3.48Å
176K93.2Very high92.5Very high125 Ų125105.4 Ų105.454%0.54352%0.515SS..Hα-helixtrans-66.6-43.2174.6-74.6179.6177.8-176.30111.4R172 C173 R174 R179 K180R172-K176 WeakPolarHBondContact O-CG 3.4Å; R172-K176 PolarHBondContact O-N 3.04Å; C173-K176 WeakPolarHBondContact O-CB 3.39Å; C173-K176 PolarHBondContact O-N 3Å; R174-K176 VanDerWaalsContact C-N 3.34Å; R174-K176 PolarHBondContact O-N 3.44Å; K176-R179 PolarHBondContact O-N 3.44Å; K176-K180 PolarHBondContact O-N 2.91Å
177E92.5Very high91.9Very high132 Ų132105.2 Ų105.262%0.61752%0.517SS*.Hα-helixtrans-62.2-45.8175.9-70168.7179.500111.4C173 R174 R179 K180 A181C173-E177 WeakPolarHBondContact O-CG 3.35Å; C173-E177 PolarHBondContact O-N 3.04Å; R174-E177 PolarHBondContact O-N 3.45Å; E177-R179 VanDerWaalsContact C-N 3.31Å; E177-R179 PolarHBondContact O-N 3.03Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-A181 WeakPolarHBondContact O-CB 3.35Å; E177-A181 PolarHBondContact O-N 3.12Å
178C90.5Very high91.4Very high76 Ų76109.5 Ų109.551%0.51453%0.529SS..Hα-helixtrans-60.2-38.4174.4-71.70000112.5R174 K182R174-C178 WeakPolarHBondContact O-CB 3.49Å; R174-C178 PolarHBondContact O-N 3.15Å; R174-C178 PolarHBondContact O-SG 3.2Å; C178-K182 WeakPolarHBondContact O-CB 3.47Å; C178-K182 WeakPolarHBondContact O-CG 3.47Å; C178-K182 PolarHBondContact O-N 3.4Å
179R89.2Confident90.7Very high191 Ų191110.7 Ų110.772%0.72153%0.525SS*.Hα-helixtrans-65.2-44.9174.4-80.7-175.4-167.9178.83.2111.6C175 K176 E177 K182 T183C175-R179 WeakPolarHBondContact O-CG 3.44Å; C175-R179 PolarHBondContact O-N 3.48Å; K176-R179 PolarHBondContact O-N 3.44Å; E177-R179 VanDerWaalsContact C-N 3.31Å; E177-R179 PolarHBondContact O-N 3.03Å; R179-K182 PolarHBondContact O-N 3.16Å; R179-T183 PolarHBondContact O-N 2.99Å; R179-T183 PolarHBondContact O-OG1 2.97Å
180K92.4Very high90Very high139 Ų139106.8 Ų106.860%0.60451%0.513SS*.Hα-helixtrans-62-45.2177.2-170.9-178176.4-174.70111.4K176 E177 K182 T183 D184K176-K180 PolarHBondContact O-N 2.91Å; E177-K180 PolarHBondContact O-N 2.84Å; K180-K182 VanDerWaalsContact C-N 3.28Å; K180-K182 PolarHBondContact O-N 2.97Å; K180-T183 WeakPolarHBondContact CA-OG1 3.43Å; K180-T183 PolarHBondContact O-N 3.43Å; K180-T183 PolarHBondContact O-OG1 3.27Å; K180-D184 WeakPolarHBondContact O-CB 3.49Å; K180-D184 PolarHBondContact O-N 3.45Å
181A90.8Very high89.3Confident59 Ų59105.5 Ų105.549%0.48851%0.511SS..Hα-helixtrans-59.9-38.8175.400000112.1E177 S185E177-A181 WeakPolarHBondContact O-CB 3.35Å; E177-A181 PolarHBondContact O-N 3.12Å; A181-S185 VanDerWaalsContact O-CB 3.26Å; A181-S185 WeakPolarHBondContact O-CB 3.42Å; A181-S185 PolarHBondContact O-N 2.93Å; A181-S185 PolarHBondContact O-OG 2.78Å
182K90.4Very high88.7Confident153 Ų153109.9 Ų109.967%0.66552%0.522SS*.Hα-helixtrans-65.8-45.4174.6-76.9179.7179.9-172.30112.4C178 R179 K180 S185 F186C178-K182 WeakPolarHBondContact O-CB 3.47Å; C178-K182 WeakPolarHBondContact O-CG 3.47Å; C178-K182 PolarHBondContact O-N 3.4Å; R179-K182 PolarHBondContact O-N 3.16Å; K180-K182 VanDerWaalsContact C-N 3.28Å; K180-K182 PolarHBondContact O-N 2.97Å; K182-S185 PolarHBondContact O-N 2.71Å; K182-S185 PolarHBondContact O-OG 3.16Å; K182-F186 WeakPolarHBondContact O-CB 3.4Å; K182-F186 PolarHBondContact O-N 2.88Å
183T90.1Very high88.1Confident74 Ų74104.9 Ų104.945%0.45451%0.51SS..Hα-helixtrans-63.6-46176.651.70000111R179 K180 S185 F186 D187R179-T183 PolarHBondContact O-N 2.99Å; R179-T183 PolarHBondContact O-OG1 2.97Å; K180-T183 WeakPolarHBondContact CA-OG1 3.43Å; K180-T183 PolarHBondContact O-N 3.43Å; K180-T183 PolarHBondContact O-OG1 3.27Å; T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 3.47Å; T183-F186 WeakPolarHBondContact O-CA 3.38Å; T183-F186 WeakPolarHBondContact O-CB 3.26Å; T183-F186 PolarHBondContact O-N 2.87Å; T183-D187 VanDerWaalsContact O-CG 3.27Å; T183-D187 PolarHBondContact O-N 3.02Å
184D89.3Confident87.3Confident67 Ų67106.5 Ų106.536%0.35851%0.51SS..Hα-helixtrans-62-36.5177.8-62.6-5.2000111.2K180 R188K180-D184 WeakPolarHBondContact O-CB 3.49Å; K180-D184 PolarHBondContact O-N 3.45Å; D184-R188 WeakPolarHBondContact O-CB 3.37Å; D184-R188 VanDerWaalsContact O-CG 3.26Å; D184-R188 WeakPolarHBondContact O-CG 3.37Å; D184-R188 PolarHBondContact O-N 3.47Å
185S86.6Confident86.5Confident46 Ų46103.6 Ų103.632%0.32251%0.507SS..Hα-helixtrans-69-33.2174.681.40000113.2A181 K182 T183 R189A181-S185 VanDerWaalsContact O-CB 3.26Å; A181-S185 WeakPolarHBondContact O-CB 3.42Å; A181-S185 PolarHBondContact O-N 2.93Å; A181-S185 PolarHBondContact O-OG 2.78Å; K182-S185 PolarHBondContact O-N 2.71Å; K182-S185 PolarHBondContact O-OG 3.16Å; T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 3.47Å; S185-R189 PolarHBondContact O-N 3.2Å
186F85Confident85.9Confident108 Ų108105.6 Ų105.647%0.47451%0.508SS..Hα-helixtrans-73-48.1177.5-178.1-91.7000109.9K182 T183 R188 R189 E190K182-F186 WeakPolarHBondContact O-CB 3.4Å; K182-F186 PolarHBondContact O-N 2.88Å; T183-F186 WeakPolarHBondContact O-CA 3.38Å; T183-F186 WeakPolarHBondContact O-CB 3.26Å; T183-F186 PolarHBondContact O-N 2.87Å; F186-R188 VanDerWaalsContact C-N 3.31Å; F186-R188 PolarHBondContact O-N 3.19Å; F186-R189 CarbonylContact O-C 3.59Å; F186-R189 PolarHBondContact O-N 3.16Å; F186-E190 WeakPolarHBondContact CE1-OE2 3.38Å; F186-E190 WeakPolarHBondContact O-CB 3.35Å; F186-E190 PolarHBondContact O-N 2.95Å
187D85.1Confident85Confident91 Ų91103.5 Ų103.549%0.48750%0.503SS..Hα-helixtrans-61.8-38.4177.6-63-18.1000111.5T183 G191T183-D187 VanDerWaalsContact O-CG 3.27Å; T183-D187 PolarHBondContact O-N 3.02Å; D187-G191 PolarHBondContact O-N 2.93Å
188R85.5Confident84.2Confident194 Ų194101.8 Ų101.873%0.73250%0.498SS*.Hα-helixtrans-63.5-39.6172-79.2179.8-172.9-166.33.1112.8D184 F186 K192D184-R188 WeakPolarHBondContact O-CB 3.37Å; D184-R188 VanDerWaalsContact O-CG 3.26Å; D184-R188 WeakPolarHBondContact O-CG 3.37Å; D184-R188 PolarHBondContact O-N 3.47Å; F186-R188 VanDerWaalsContact C-N 3.31Å; F186-R188 PolarHBondContact O-N 3.19Å; R188-K192 WeakPolarHBondContact O-CG 3.37Å; R188-K192 PolarHBondContact O-N 3.41Å
189R83Confident83.3Confident141 Ų141103.6 Ų103.653%0.53250%0.501SS..Hα-helixtrans-70.6-44.6176.9-84.8-172.3-80.2-179.6-6.5111.2S185 F186 G191 K192 V193S185-R189 PolarHBondContact O-N 3.2Å; F186-R189 CarbonylContact O-C 3.59Å; F186-R189 PolarHBondContact O-N 3.16Å; R189-G191 VanDerWaalsContact C-N 3.33Å; R189-G191 PolarHBondContact O-N 3.39Å; R189-K192 PolarHBondContact O-N 3.43Å; R189-V193 WeakPolarHBondContact O-CG2 3.49Å; R189-V193 PolarHBondContact O-N 2.94Å
190E80.9Confident82.4Confident62 Ų6299.6 Ų99.629%0.2949%0.494SS..Hα-helixtrans-58.5-46.4175.4-174.8170.7-167.800110.3F186 K192 V193 F194F186-E190 WeakPolarHBondContact CE1-OE2 3.38Å; F186-E190 WeakPolarHBondContact O-CB 3.35Å; F186-E190 PolarHBondContact O-N 2.95Å; E190-K192 PolarHBondContact O-N 3.43Å; E190-V193 PolarHBondContact O-N 3.15Å; E190-F194 HydrophobicContact CG-CD2 3.66Å; E190-F194 HydrophobicContact CG-CE2 3.47Å; E190-F194 VanDerWaalsContact CG-CE2 3.47Å; E190-F194 WeakPolarHBondContact O-CB 3.49Å; E190-F194 WeakPolarHBondContact O-CD2 3.44Å; E190-F194 PolarHBondContact O-N 2.95Å
191G82.1Confident81.2Confident31 Ų3196.5 Ų96.532%0.3249%0.487SS..Hα-helixtrans-61.3-39.1174.700000114D187 R189 N195D187-G191 PolarHBondContact O-N 2.93Å; R189-G191 VanDerWaalsContact C-N 3.33Å; R189-G191 PolarHBondContact O-N 3.39Å; G191-N195 WeakPolarHBondContact O-CB 3.47Å; G191-N195 PolarHBondContact O-N 2.86Å; G191-N195 PolarHBondContact O-ND2 2.95Å
192K83.7Confident80Confident136 Ų13698.6 Ų98.659%0.59149%0.487SS*.Hα-helixtrans-64.6-47.9174-78.1-178.3178.7-167.30112.1R188 R189 E190 F194 N195 E196R188-K192 WeakPolarHBondContact O-CG 3.37Å; R188-K192 PolarHBondContact O-N 3.41Å; R189-K192 PolarHBondContact O-N 3.43Å; E190-K192 PolarHBondContact O-N 3.43Å; K192-F194 VanDerWaalsContact C-N 3.32Å; K192-F194 PolarHBondContact O-N 3.36Å; K192-N195 PolarHBondContact O-N 2.98Å; K192-N195 VanDerWaalsContact O-N 3.15Å; K192-E196 WeakPolarHBondContact O-CG 3.41Å; K192-E196 PolarHBondContact O-N 2.93Å
193V81.4Confident78.8Confident66 Ų6694.8 Ų94.840%0.448%0.477SS..Hα-helixtrans-62.6-40.1178.8173.30000110.9R189 E190 E196 L197R189-V193 WeakPolarHBondContact O-CG2 3.49Å; R189-V193 PolarHBondContact O-N 2.94Å; E190-V193 PolarHBondContact O-N 3.15Å; V193-E196 PolarHBondContact O-N 2.95Å; V193-L197 HydrophobicContact CG1-CD1 3.87Å; V193-L197 HydrophobicContact CG1-CG 4.4Å; V193-L197 WeakPolarHBondContact O-CB 3.32Å; V193-L197 VanDerWaalsContact O-CG 3.32Å; V193-L197 WeakPolarHBondContact O-CG 3.37Å; V193-L197 PolarHBondContact O-N 3.29Å
194F76.5Confident77.4Confident101 Ų10196.2 Ų96.244%0.44348%0.479SS..Hα-helixtrans-63.7-40.7173.8-86.6-64.2000112.5E190 K192 N198E190-F194 HydrophobicContact CG-CD2 3.66Å; E190-F194 HydrophobicContact CG-CE2 3.47Å; E190-F194 VanDerWaalsContact CG-CE2 3.47Å; E190-F194 WeakPolarHBondContact O-CB 3.49Å; E190-F194 WeakPolarHBondContact O-CD2 3.44Å; E190-F194 PolarHBondContact O-N 2.95Å; K192-F194 VanDerWaalsContact C-N 3.32Å; K192-F194 PolarHBondContact O-N 3.36Å; F194-N198 WeakPolarHBondContact O-CB 3.45Å; F194-N198 PolarHBondContact O-N 3.02Å
195N76.8Confident76.2Confident107 Ų10796.1 Ų96.157%0.57248%0.481SS*.Hα-helixtrans-68-42.3177.3-71.7-15.2000112.1G191 K192 N198 I199G191-N195 WeakPolarHBondContact O-CB 3.47Å; G191-N195 PolarHBondContact O-N 2.86Å; G191-N195 PolarHBondContact O-ND2 2.95Å; K192-N195 PolarHBondContact O-N 2.98Å; K192-N195 VanDerWaalsContact O-N 3.15Å; N195-N198 PolarHBondContact O-N 2.98Å; N195-I199 VanDerWaalsContact O-CG1 3.28Å; N195-I199 WeakPolarHBondContact O-CG1 3.36Å; N195-I199 PolarHBondContact O-N 3.07Å
196E79.4Confident75.1Confident118 Ų118100 Ų10055%0.55149%0.493SS*.Hα-helixtrans-62.2-48.8176.3-73.7168.4-168.500111K192 V193 N198 I199 D200K192-E196 WeakPolarHBondContact O-CG 3.41Å; K192-E196 PolarHBondContact O-N 2.93Å; V193-E196 PolarHBondContact O-N 2.95Å; E196-N198 VanDerWaalsContact C-N 3.29Å; E196-N198 PolarHBondContact O-N 3.49Å; E196-I199 PolarHBondContact O-N 3.4Å; E196-D200 PolarHBondContact O-N 2.98Å
197L73.8Confident74Confident81 Ų81100.6 Ų100.642%0.42450%0.498SS..Hα-helixtrans-62.2-35.3175.2-73.6170.5000112.5V193 D200 V201V193-L197 HydrophobicContact CG1-CD1 3.87Å; V193-L197 HydrophobicContact CG1-CG 4.4Å; V193-L197 WeakPolarHBondContact O-CB 3.32Å; V193-L197 VanDerWaalsContact O-CG 3.32Å; V193-L197 WeakPolarHBondContact O-CG 3.37Å; V193-L197 PolarHBondContact O-N 3.29Å; L197-D200 PolarHBondContact O-N 2.96Å; L197-V201 VanDerWaalsContact O-CB 3.27Å; L197-V201 WeakPolarHBondContact O-CB 3.22Å; L197-V201 WeakPolarHBondContact O-CG2 3.46Å; L197-V201 PolarHBondContact O-N 3.12Å
198N74.8Confident72.9Confident97 Ų9799.8 Ų99.852%0.51950%0.496SS..Hα-helixtrans-70.1-34.9178.5-164.666.8000112.1F194 N195 E196 Q202F194-N198 WeakPolarHBondContact O-CB 3.45Å; F194-N198 PolarHBondContact O-N 3.02Å; N195-N198 PolarHBondContact O-N 2.98Å; E196-N198 VanDerWaalsContact C-N 3.29Å; E196-N198 PolarHBondContact O-N 3.49Å; N198-Q202 WeakPolarHBondContact O-CB 3.3Å; N198-Q202 PolarHBondContact O-N 3.49Å; N198-Q202 VanDerWaalsContact O-N 3.12Å
199I72.9Confident71.6Confident113 Ų11395.3 Ų95.358%0.57949%0.487SS*.Hα-helixtrans-69.6-39.4174.8-67.7164000111N195 E196 P203N195-I199 VanDerWaalsContact O-CG1 3.28Å; N195-I199 WeakPolarHBondContact O-CG1 3.36Å; N195-I199 PolarHBondContact O-N 3.07Å; E196-I199 PolarHBondContact O-N 3.4Å; I199-P203 WeakPolarHBondContact O-CD 3.46Å; I199-P203 WeakPolarHBondContact O-CG 3.43Å
200D69.7Low70.6Confident108 Ų10891 Ų9158%0.57848%0.482SS*.Hα-helixtrans-75.8-31.6-179.2-71.2-18.3000112.8E196 L197E196-D200 PolarHBondContact O-N 2.98Å; L197-D200 PolarHBondContact O-N 2.96Å
201V67.1Low69.5Low73 Ų7393.6 Ų93.644%0.44249%0.494SS..Hα-helixtrans-83-33.3-179174.30000112.1L197 Q204 V205L197-V201 VanDerWaalsContact O-CB 3.27Å; L197-V201 WeakPolarHBondContact O-CB 3.22Å; L197-V201 WeakPolarHBondContact O-CG2 3.46Å; L197-V201 PolarHBondContact O-N 3.12Å; V201-Q204 PolarHBondContact O-N 3.02Å; V201-Q204 VanDerWaalsContact O-N 3.16Å; V201-V205 HydrophobicContact CG1-CG2 3.71Å; V201-V205 WeakPolarHBondContact O-CG2 3.46Å; V201-V205 PolarHBondContact O-N 2.81Å
202Q66.2Low68.5Low104 Ų10496 Ų9649%0.48650%0.502SS..Hα-helixtrans-55-49.3-178.6-107.8-167.8-45.800113.9N198 Q204 V205 E206N198-Q202 WeakPolarHBondContact O-CB 3.3Å; N198-Q202 PolarHBondContact O-N 3.49Å; N198-Q202 VanDerWaalsContact O-N 3.12Å; Q202-Q204 VanDerWaalsContact C-N 3.3Å; Q202-Q204 PolarHBondContact O-N 3.1Å; Q202-V205 PolarHBondContact O-N 2.98Å; Q202-E206 WeakPolarHBondContact O-CG 3.43Å; Q202-E206 PolarHBondContact O-N 3.06Å
203P64.9Low67.5Low72 Ų7292.9 Ų92.947%0.46850%0.497SS..Hα-helixtrans-62.7-36.3178.4-2231.8000112.5I199 E206 E207I199-P203 WeakPolarHBondContact O-CD 3.46Å; I199-P203 WeakPolarHBondContact O-CG 3.43Å; P203-E206 PolarHBondContact O-N 3.33Å; P203-E207 VanDerWaalsContact O-CB 3.31Å; P203-E207 WeakPolarHBondContact O-CB 3.38Å; P203-E207 PolarHBondContact O-N 3.21Å
204Q61Low66.4Low104 Ų10495.4 Ų95.449%0.48651%0.508SS..Hα-helixtrans-71.2-34.2179-64.5-169.314.800112.2V201 Q202 T208V201-Q204 PolarHBondContact O-N 3.02Å; V201-Q204 VanDerWaalsContact O-N 3.16Å; Q202-Q204 VanDerWaalsContact C-N 3.3Å; Q202-Q204 PolarHBondContact O-N 3.1Å; Q204-T208 WeakPolarHBondContact O-CB 3.48Å; Q204-T208 WeakPolarHBondContact O-CG2 3.47Å; Q204-T208 PolarHBondContact O-N 3.45Å; Q204-T208 PolarHBondContact O-OG1 3.46Å
205V63.4Low65.5Low66 Ų6693 Ų9340%0.451%0.505SS..Hα-helixtrans-69.5-43.4173.8176.20000110.3V201 Q202 E207 T208 D209V201-V205 HydrophobicContact CG1-CG2 3.71Å; V201-V205 WeakPolarHBondContact O-CG2 3.46Å; V201-V205 PolarHBondContact O-N 2.81Å; Q202-V205 PolarHBondContact O-N 2.98Å; V205-E207 PolarHBondContact O-N 3Å; V205-T208 WeakPolarHBondContact CA-OG1 3.26Å; V205-T208 PolarHBondContact O-N 3.24Å; V205-T208 PolarHBondContact O-OG1 3.03Å; V205-T208 VanDerWaalsContact O-OG1 3.05Å; V205-D209 WeakPolarHBondContact O-CB 3.35Å; V205-D209 PolarHBondContact O-N 3.35Å
206E63.6Low64.4Low126 Ų12694.2 Ų94.259%0.58951%0.506SS*.Hα-helixtrans-65-37.5176.8-71.9177.1-174.200112.5Q202 P203 A210Q202-E206 WeakPolarHBondContact O-CG 3.43Å; Q202-E206 PolarHBondContact O-N 3.06Å; P203-E206 PolarHBondContact O-N 3.33Å; E206-A210 WeakPolarHBondContact O-CB 3.48Å; E206-A210 PolarHBondContact O-N 2.92Å; E206-A210 VanDerWaalsContact O-N 3.1Å
207E62.8Low63.4Low121 Ų12192.6 Ų92.657%0.56550%0.504SS*.Hα-helixtrans-70.5-36.6175.9-168.7173.4-17200112.3P203 V205 A210 Q211P203-E207 VanDerWaalsContact O-CB 3.31Å; P203-E207 WeakPolarHBondContact O-CB 3.38Å; P203-E207 PolarHBondContact O-N 3.21Å; V205-E207 PolarHBondContact O-N 3Å; E207-A210 PolarHBondContact O-N 3.16Å; E207-Q211 WeakPolarHBondContact O-CG 3.26Å; E207-Q211 PolarHBondContact O-N 3.49Å
208T60.9Low62.4Low74 Ų7495.4 Ų95.445%0.45452%0.516SS..Hα-helixtrans-72.7-37.3175.9460000112.6Q204 V205 A210 Q211 V212Q204-T208 WeakPolarHBondContact O-CB 3.48Å; Q204-T208 WeakPolarHBondContact O-CG2 3.47Å; Q204-T208 PolarHBondContact O-N 3.45Å; Q204-T208 PolarHBondContact O-OG1 3.46Å; V205-T208 WeakPolarHBondContact CA-OG1 3.26Å; V205-T208 PolarHBondContact O-N 3.24Å; V205-T208 PolarHBondContact O-OG1 3.03Å; V205-T208 VanDerWaalsContact O-OG1 3.05Å; T208-A210 VanDerWaalsContact C-N 3.31Å; T208-A210 PolarHBondContact O-N 3.3Å; T208-Q211 PolarHBondContact O-N 2.88Å; T208-V212 WeakPolarHBondContact O-CB 3.44Å; T208-V212 VanDerWaalsContact O-CG2 3.26Å; T208-V212 WeakPolarHBondContact O-CG2 3.39Å; T208-V212 PolarHBondContact O-N 3.09Å
209D58.3Low61.4Low100 Ų10095.2 Ų95.254%0.53551%0.514SS..Hα-helixtrans-65.3-34.3173.5-77.1-20.7000111.9V205 S213V205-D209 WeakPolarHBondContact O-CB 3.35Å; V205-D209 PolarHBondContact O-N 3.35Å; D209-S213 WeakPolarHBondContact O-CB 3.49Å; D209-S213 PolarHBondContact O-N 3.19Å; D209-S213 VanDerWaalsContact O-N 3.08Å; D209-S213 PolarHBondContact O-OG 3.26Å
210A61.8Low60.6Low51 Ų5194.1 Ų94.142%0.42152%0.516SS..Hα-helixtrans-66.8-45.5172.100000112E206 E207 T208 V212 S213 D214E206-A210 WeakPolarHBondContact O-CB 3.48Å; E206-A210 PolarHBondContact O-N 2.92Å; E206-A210 VanDerWaalsContact O-N 3.1Å; E207-A210 PolarHBondContact O-N 3.16Å; T208-A210 VanDerWaalsContact C-N 3.31Å; T208-A210 PolarHBondContact O-N 3.3Å; A210-V212 PolarHBondContact O-N 3.32Å; A210-S213 WeakPolarHBondContact O-CB 3.43Å; A210-S213 PolarHBondContact O-N 3.28Å; A210-D214 PolarHBondContact O-N 2.96Å
211Q58.2Low60Low117 Ų11797.1 Ų97.155%0.54752%0.524SS..Hα-helixtrans-66.7-35.7178-74.1-175.89.200113.2E207 T208 S213 D214 S215E207-Q211 WeakPolarHBondContact O-CG 3.26Å; E207-Q211 PolarHBondContact O-N 3.49Å; T208-Q211 PolarHBondContact O-N 2.88Å; Q211-S213 VanDerWaalsContact C-N 3.34Å; Q211-D214 PolarHBondContact O-N 3.01Å; Q211-S215 WeakPolarHBondContact O-CB 3.45Å; Q211-S215 PolarHBondContact O-N 3.42Å; Q211-S215 PolarHBondContact O-OG 2.85Å
212V60.5Low59.4Low82 Ų8298.4 Ų98.450%0.49753%0.532SS..Hα-helixtrans-66.2-39.6174172.80000110.4T208 A210 S215 E216T208-V212 WeakPolarHBondContact O-CB 3.44Å; T208-V212 VanDerWaalsContact O-CG2 3.26Å; T208-V212 WeakPolarHBondContact O-CG2 3.39Å; T208-V212 PolarHBondContact O-N 3.09Å; A210-V212 PolarHBondContact O-N 3.32Å; V212-S215 WeakPolarHBondContact CA-OG 3.32Å; V212-S215 PolarHBondContact O-N 3.41Å; V212-S215 PolarHBondContact O-OG 3.28Å; V212-E216 VanDerWaalsContact O-CB 3.3Å; V212-E216 WeakPolarHBondContact O-CB 3.37Å; V212-E216 PolarHBondContact O-N 2.86Å
213S62.5Low58.7Low69 Ų69101.8 Ų101.848%0.48355%0.545SS..Hα-helixtrans-63.8-41.9175.9-60.80000112.3D209 A210 Q211 V217D209-S213 WeakPolarHBondContact O-CB 3.49Å; D209-S213 PolarHBondContact O-N 3.19Å; D209-S213 VanDerWaalsContact O-N 3.08Å; D209-S213 PolarHBondContact O-OG 3.26Å; A210-S213 WeakPolarHBondContact O-CB 3.43Å; A210-S213 PolarHBondContact O-N 3.28Å; Q211-S213 VanDerWaalsContact C-N 3.34Å; S213-V217 VanDerWaalsContact O-CG2 3.31Å; S213-V217 WeakPolarHBondContact O-CG2 3.48Å; S213-V217 PolarHBondContact O-N 3.32Å
214D59Low57.8Low119 Ų119102.1 Ų102.164%0.63656%0.562SS**Hα-helixtrans-69.3-38.6178.3-75.8-19.5000112.4A210 Q211 V217 E218A210-D214 PolarHBondContact O-N 2.96Å; Q211-D214 PolarHBondContact O-N 3.01Å; D214-V217 PolarHBondContact O-N 3.24Å; D214-E218 PolarHBondContact O-N 3.04Å
215S57.5Low57.2Low52 Ų52101.7 Ų101.736%0.36457%0.57SS.*Hα-helixtrans-74.4-30.7177.847.30000113.1Q211 V212 V217 E218 I219Q211-S215 WeakPolarHBondContact O-CB 3.45Å; Q211-S215 PolarHBondContact O-N 3.42Å; Q211-S215 PolarHBondContact O-OG 2.85Å; V212-S215 WeakPolarHBondContact CA-OG 3.32Å; V212-S215 PolarHBondContact O-N 3.41Å; V212-S215 PolarHBondContact O-OG 3.28Å; S215-V217 VanDerWaalsContact C-N 3.32Å; S215-V217 PolarHBondContact O-N 3.48Å; S215-E218 PolarHBondContact O-N 2.84Å; S215-I219 WeakPolarHBondContact O-CD1 3.36Å; S215-I219 WeakPolarHBondContact O-CG1 3.35Å; S215-I219 PolarHBondContact O-N 3.32Å
216E54.6Low56.3Low131 Ų131110.2 Ų110.261%0.61260%0.595SS**Hα-helixtrans-69.9-29.6173.9-156.8168.9-15600112.3V212 S220V212-E216 VanDerWaalsContact O-CB 3.3Å; V212-E216 WeakPolarHBondContact O-CB 3.37Å; V212-E216 PolarHBondContact O-N 2.86Å; E216-S220 PolarHBondContact O-N 3.41Å; E216-S220 PolarHBondContact O-OG 2.91Å
217V57.2Low55.4Low84 Ų84111.9 Ų111.951%0.50961%0.608SS.*Hα-helixtrans-71.3-33171.4173.70000112S213 D214 S215S213-V217 VanDerWaalsContact O-CG2 3.31Å; S213-V217 WeakPolarHBondContact O-CG2 3.48Å; S213-V217 PolarHBondContact O-N 3.32Å; D214-V217 PolarHBondContact O-N 3.24Å; S215-V217 VanDerWaalsContact C-N 3.32Å; S215-V217 PolarHBondContact O-N 3.48Å
218E53.5Low54.6Low141 Ų141115.4 Ų115.466%0.65962%0.621SS**Hα-helixtrans-77.2-37.7177.7-114.7-174.1169.400113.6D214 S215 S220 K221 T222D214-E218 PolarHBondContact O-N 3.04Å; S215-E218 PolarHBondContact O-N 2.84Å; E218-S220 PolarHBondContact O-N 3.22Å; E218-K221 PolarHBondContact O-N 2.92Å; E218-K221 VanDerWaalsContact O-N 3.12Å; E218-T222 PolarHBondContact O-N 3.33Å; E218-T222 PolarHBondContact O-OG1 2.83Å
219I53.7Low53.9Low93 Ų93120.6 Ų120.648%0.47764%0.641SS.*Hα-helixtrans-67.5-24.1176.8-61.1160.1000111.1S215S215-I219 WeakPolarHBondContact O-CD1 3.36Å; S215-I219 WeakPolarHBondContact O-CG1 3.35Å; S215-I219 PolarHBondContact O-N 3.32Å
220S55.4Low53.1Low89 Ų89121 Ų12162%0.62265%0.651SS**Hα-helixtrans-77.8-20.6175.4-58.80000113.4E216 E218E216-S220 PolarHBondContact O-N 3.41Å; E216-S220 PolarHBondContact O-OG 2.91Å; E218-S220 PolarHBondContact O-N 3.22Å
221K57.6Low52Low171 Ų171123.7 Ų123.774%0.74367%0.667SS**Hα-helixtrans-90.3-15.5178.2-73.6177.4-179.6171.30114.1E218E218-K221 PolarHBondContact O-N 2.92Å; E218-K221 VanDerWaalsContact O-N 3.12Å
222T54.4Low51.3Low100 Ų100125.2 Ų125.261%0.61368%0.679SS**SBendtrans-104.5-0.3-175.346.70000114.7E218 G224E218-T222 PolarHBondContact O-N 3.33Å; E218-T222 PolarHBondContact O-OG1 2.83Å; T222-G224 PolarHBondContact O-N 3.19Å
223K50.8Low50.4Low176 Ų176129.7 Ų129.777%0.76570%0.699SS**THydrogen-bonded Turntrans-76.920.4-179.7-91.3177.7177.2171.20116.3
224G46.7Very low49.3Very low79 Ų79131.6 Ų131.681%0.81471%0.709SS**THydrogen-bonded Turntrans-94.1-3.9-17700000117.3T222T222-G224 PolarHBondContact O-N 3.19Å
225S48.2Very low48.2Very low94 Ų94133.4 Ų133.466%0.65773%0.725SS**SBendtrans-155.240.2-162.9-175.90000116.6
226W44.8Very low47.1Very low246 Ų246134.7 Ų134.793%0.93274%0.739SS**  trans-140.470.1171.8-65.379.6000111.1
227N44.8Very low46.1Very low161 Ų161133.3 Ų133.386%0.86174%0.743SS**  trans-93.2132.7160.1-91.3-25000108.4
228K46.9Very low45Very low194 Ų194141.5 Ų141.584%0.84377%0.765SS**SBendtrans72.894.7172.8-59.9174.9175177.30115
229E45Very low44.1Very low184 Ų184141.1 Ų141.186%0.8677%0.766SS**  165.9151.6114.8-93.2169.4170.300110.6
230S41.9Very low43Very low108 Ų108141.3 Ų141.376%0.75578%0.782SS**  trans76.176.7166.270.40000117.6N232S230-N232 PolarHBondContact O-N 3.22Å
231S39.1Very low41.8Very low107 Ų107142 Ų14275%0.74878%0.782SS**  -41.3111127.648.40000110.6
232N43.8Very low40.4Very low149 Ų149136.5 Ų136.580%0.79777%0.774SS**  trans155.892.7151.5-80.9-23.9000109.8S230S230-N232 PolarHBondContact O-N 3.22Å
233L41.3Very low39.3Very low176 Ų176139.7 Ų139.792%0.92178%0.78SS**  trans-158.3144.2149.2-97.8134.5000110.1
234P38.3Very low38.2Very low109 Ų109141.6 Ų141.671%0.70878%0.784SS**  trans-83.8149.1-156.21.215.7000113.5A236P234-A236 VanDerWaalsContact C-N 3.33Å; P234-A236 PolarHBondContact O-N 3.38Å
235V37Very low37.5Very low158 Ų158143.2 Ų143.296%0.95878%0.781SS**SBendtrans-62.387.4163.8-179.80000109.3
236A33.3Very low36.5Very low79 Ų79146.9 Ų146.965%0.65379%0.785SS**  trans-158.3145.5166.600000109.8P234P234-A236 VanDerWaalsContact C-N 3.33Å; P234-A236 PolarHBondContact O-N 3.38Å
237S34.6Very low36Very low102 Ų102139.2 Ų139.271%0.71377%0.774SS**  trans89.658173.1-45.70000116.3I239S237-I239 PolarHBondContact O-N 3.34Å
238R34.5Very low35.3Very low255 Ų255138.9 Ų138.996%0.96277%0.768SS**  trans-67.689.2140.3-76.6-174.9-179.3-175.4-0.2107.2A240R238-A240 PolarHBondContact O-N 2.92Å
239I33.4Very low34.8Very low134 Ų134136.3 Ų136.369%0.68776%0.762SS**  trans-69.598.2171.1-60.7175.7000106.4S237 V241S237-I239 PolarHBondContact O-N 3.34Å; I239-V241 HydrophobicContact CG2-CG2 3.72Å; I239-V241 PolarHBondContact O-N 3.49Å; I239-V241 VanDerWaalsContact O-N 3.14Å
240A30.7Very low34.3Very low97 Ų97131.8 Ų131.880%0.80275%0.751SS**  trans-7198.116000000106.7R238 G242R238-A240 PolarHBondContact O-N 2.92Å; A240-G242 VanDerWaalsContact C-N 3.26Å; A240-G242 PolarHBondContact O-N 3.02Å
241V30.3Very low34.1Very low102 Ų102132.5 Ų132.562%0.61875%0.746SS**  trans-69.289.3170.7-177.20000107.2I239 F243I239-V241 HydrophobicContact CG2-CG2 3.72Å; I239-V241 PolarHBondContact O-N 3.49Å; I239-V241 VanDerWaalsContact O-N 3.14Å; V241-F243 HydrophobicContact CG1-CD2 3.77Å; V241-F243 HydrophobicContact CG1-CE2 3.44Å; V241-F243 VanDerWaalsContact CG1-CE2 3.44Å; V241-F243 HydrophobicContact CG1-CZ 4.03Å; V241-F243 PolarHBondContact O-N 3.35Å
242G28.4Very low34Very low57 Ų57135.4 Ų135.459%0.58875%0.747SS**  trans-85.799.4168.800000109.2A240 Y244A240-G242 VanDerWaalsContact C-N 3.26Å; A240-G242 PolarHBondContact O-N 3.02Å; G242-Y244 PolarHBondContact O-N 3.48Å
243F31.7Very low33.5Very low167 Ų167135.8 Ų135.873%0.73275%0.749SS**  trans-64.8113169-77.8-88.2000109.5V241V241-F243 HydrophobicContact CG1-CD2 3.77Å; V241-F243 HydrophobicContact CG1-CE2 3.44Å; V241-F243 VanDerWaalsContact CG1-CE2 3.44Å; V241-F243 HydrophobicContact CG1-CZ 4.03Å; V241-F243 PolarHBondContact O-N 3.35Å
244Y27.4Very low33.3Very low215 Ų215133.7 Ų133.784%0.84374%0.744SS**  trans-91.2101.4169.7-90-94.6000108.9G242G242-Y244 PolarHBondContact O-N 3.48Å
245C31.4Very low33Very low113 Ų113138.1 Ų138.176%0.76475%0.752SS**  trans-83.4112.5162.4-79.80000109.5A247C245-A247 PolarHBondContact O-N 3.42Å
246K28.6Very low32.5Very low172 Ų172136.8 Ų136.875%0.74874%0.744SS**  trans-84.396.6172.5-166.6-172.3-176.6-140.90107.9E248K246-E248 IonicContact NZ-OE1 2.8Å; K246-E248 PolarHBondContact NZ-OE1 2.85Å
247A32.9Very low32.2Very low85 Ų85140.5 Ų140.570%0.70275%0.752SS**  trans-87.8104.7169.100000109.1C245 I249C245-A247 PolarHBondContact O-N 3.42Å; A247-I249 PolarHBondContact O-N 3.37Å
248E31.5Very low31.9Very low153 Ų153140.5 Ų140.572%0.71576%0.758SS**  trans-73.999.6168.8-76.4175.418000108.7K246 S250K246-E248 IonicContact NZ-OE1 2.8Å; K246-E248 PolarHBondContact NZ-OE1 2.85Å; E248-S250 PolarHBondContact O-N 3.01Å
249I35.2Very low31.5Very low140 Ų140133.9 Ų133.972%0.71875%0.751SS**  trans-84.397.6170.4-58.1175000107.4A247 D251A247-I249 PolarHBondContact O-N 3.37Å; I249-D251 PolarHBondContact O-N 2.83Å
250S36.2Very low31.2Very low90 Ų90135.5 Ų135.563%0.62976%0.759SS**  trans-72.899.3168.2156.60000109.6E248 H252E248-S250 PolarHBondContact O-N 3.01Å; S250-H252 PolarHBondContact O-N 3.03Å
251D37.5Very low31Very low123 Ų123134.4 Ų134.466%0.65876%0.757SS**  trans-80.269.9171.1-1190.3000110I249 D253I249-D251 PolarHBondContact O-N 2.83Å; D251-D253 PolarHBondContact O-N 2.79Å
252H36.2Very low30.8Very low167 Ų167138.8 Ų138.877%0.77378%0.776SS**  trans-89.179164.8-101.6-67.7000108.1S250S250-H252 PolarHBondContact O-N 3.03Å
253D34Very low30.8Very low157 Ų157140.1 Ų140.184%0.8478%0.782SS**  trans-173.644.5160.9-96.6-17.2000114.4D251D251-D253 PolarHBondContact O-N 2.79Å
254T36.3Very low30.6Very low132 Ų132141.4 Ų141.481%0.8179%0.79SS**  trans-116.959.1164.946.80000111.1
255K31.1Very low30.9Very low203 Ų203136.5 Ų136.588%0.88379%0.787SS**  trans-118.558.9167.7-93.6-172.3178.1178.30110.6
256T28.3Very low30.7Very low129 Ų129135 Ų13579%0.79179%0.791SS**SBendtrans-157.4135.7159.8-30.30000110.6
257I26.1Very low30.8Very low158 Ų158134.1 Ų134.181%0.8179%0.793SS**  trans8675162.4-37175.2000116.8
258A28.1Very low30.6Very low102 Ų102135.4 Ų135.484%0.84380%0.797SS**  trans-15763.714300000109.6
259S25.6Very low30.7Very low116 Ų116132.9 Ų132.981%0.81180%0.796SS**  trans-123.265.7173-49.30000108.2
260I27.9Very low30.3Very low168 Ų168135.7 Ų135.786%0.86280%0.803SS**SBendtrans-141.398169.3-58.3-178.7000108.2
261G26.7Very low30Very low74 Ų74136.9 Ų136.976%0.76381%0.81SS**  trans59.575.1141.600000119.1
262L26.3Very low29.6Very low194 Ų194141 Ų141100%1.01682%0.822SS**  trans-96.294.8149.5-92.3161000107.7
263A27Very low29.2Very low85 Ų85140.6 Ų140.670%0.70282%0.824SS**  trans-136.3135.7162.700000107.4
264E29.1Very low29Very low193 Ų193137.8 Ų137.890%0.90282%0.815SS**SBendtrans77.477.4166.4-54.2-177.917900117.8
265S33.3Very low28.5Very low113 Ų113139 Ų13979%0.7982%0.815SS**  -166.8106.2122.463.60000109.4I267S265-I267 PolarHBondContact O-N 3.01Å
266G26.8Very low28.5Very low82 Ų82138.3 Ų138.385%0.84581%0.813SS**  trans-68.5111.6171.900000110.4
267I30.6Very low28.6Very low152 Ų152139.5 Ų139.578%0.77981%0.809SS**  trans-136.899.1151.4-56.8-178.4000106.7S265S265-I267 PolarHBondContact O-N 3.01Å
268S28.1Very low28.7Very low113 Ų113139.1 Ų139.179%0.7981%0.809SS**  trans-72.3114.2166.6167.40000108.5
269S34.2Very low28.9Very low100 Ų100140 Ų14070%0.69980%0.804SS**  trans-146.9119.1151.4590000110.3C271S269-C271 PolarHBondContact O-N 3.29Å
270K28.1Very low29.1Very low198 Ų198143.2 Ų143.286%0.86181%0.806SS**  trans-70.4106.5-180-66.9167175.81720108.9
271C28.8Very low29.4Very low115 Ų115145.3 Ų145.378%0.77781%0.805SS**  trans-111.6102.5158.6-76.60000109S269 L273S269-C271 PolarHBondContact O-N 3.29Å; C271-L273 PolarHBondContact O-N 3.17Å
272K28.4Very low29.6Very low211 Ų211147.9 Ų147.992%0.91781%0.806SS**  trans-60.1116165.8-74.6172.2172.6176.90108.5
273L29Very low30.1Very low157 Ų157143.6 Ų143.682%0.82279%0.792SS**  trans-107.7139.2156.8-100.6117.9000108.8C271 L275C271-L273 PolarHBondContact O-N 3.17Å; L273-L275 PolarHBondContact O-N 3.06Å
274P29.3Very low30.6Very low98 Ų98142.8 Ų142.864%0.63678%0.778SS**  trans-71.3130.8-172.728.8-32.2000111.1F276P274-F276 HydrophobicContact CG-CD2 4.46Å; P274-F276 HydrophobicContact CG-CE2 4.34Å; P274-F276 PolarHBondContact O-N 2.95Å; P274-F276 VanDerWaalsContact O-N 3.16Å
275L26.9Very low31.2Very low157 Ų157138.9 Ų138.982%0.82277%0.77SS**  trans-53.5108.9159.6-81.6149.1000109.3L273L273-L275 PolarHBondContact O-N 3.06Å
276F29.9Very low31.7Very low190 Ų190137.7 Ų137.783%0.83376%0.758SS**  trans-97.398.4159.3-92.9-85.1000108.7P274P274-F276 HydrophobicContact CG-CD2 4.46Å; P274-F276 HydrophobicContact CG-CE2 4.34Å; P274-F276 PolarHBondContact O-N 2.95Å; P274-F276 VanDerWaalsContact O-N 3.16Å
277H30.1Very low32.5Very low153 Ų153138.5 Ų138.571%0.70874%0.742SS**  trans-68145.6159.9-95.7-78.8000110.2
278N29.3Very low33.1Very low151 Ų151135.9 Ų135.981%0.80773%0.729SS**  trans49.693156.7-75.3-7.3000117.7
279T31.3Very low33.9Very low120 Ų120139 Ų13974%0.73672%0.723SS**  trans-140.6125.3140.234.90000110.4Y281T279-Y281 PolarHBondContact O-N 2.72Å
280Q30.4Very low34.4Very low184 Ų184143.2 Ų143.286%0.8672%0.724SS**  trans-59.9121.1172.8-65.6166.1-12.600109.5
281Y33.2Very low35.3Very low212 Ų212138.6 Ų138.683%0.83171%0.707SS**  trans-125.494.9160.5-84.7-82.1000108.6T279 S283T279-Y281 PolarHBondContact O-N 2.72Å; Y281-S283 PolarHBondContact O-N 3.24Å
282T30.7Very low36.1Very low128 Ų128139.9 Ų139.979%0.78570%0.696SS**  trans-76.887.2169.842.30000108.9T284T282-T284 PolarHBondContact O-N 3.46Å
283S37.5Very low37.1Very low103 Ų103136.7 Ų136.772%0.7268%0.684SS**  trans-82.498.5165.166.30000109Y281Y281-S283 PolarHBondContact O-N 3.24Å
284T36.9Very low37.7Very low68 Ų68137.2 Ų137.242%0.41768%0.68SS.*  trans-62.5150.4176.330.40000112.3T282 T286 L287T282-T284 PolarHBondContact O-N 3.46Å; T284-T286 PolarHBondContact O-N 3.27Å; T284-L287 PolarHBondContact O-N 3.44Å
285P42.8Very low38.3Very low111 Ų111137 Ų13772%0.72168%0.679SS**THydrogen-bonded Turntrans-60.4-9180-2031.2000114.8
286T43.5Very low39.2Very low89 Ų89137.6 Ų137.655%0.54668%0.678SS.*Hα-helixtrans-81.1-20.6-178-31.50000113.3T284T284-T286 PolarHBondContact O-N 3.27Å
287L42.9Very low39.8Very low98 Ų98131.9 Ų131.951%0.51366%0.661SS.*Hα-helixtrans-75.1-28.3177.9-107.8144.5000112.6T284 R290 I291T284-L287 PolarHBondContact O-N 3.44Å; L287-R290 PolarHBondContact O-N 3.03Å; L287-I291 HydrophobicContact CD2-CD1 4.21Å; L287-I291 WeakPolarHBondContact O-CG1 3.44Å; L287-I291 PolarHBondContact O-N 3.19Å; L287-I291 VanDerWaalsContact O-N 3.13Å
288I43.5Very low40.1Very low97 Ų97131.8 Ų131.850%0.49767%0.666SS.*Hα-helixtrans-73-30.9177.7-62.9175.5000111.2R292I288-R292 HydrophobicContact CG2-CG 4.47Å; I288-R292 WeakPolarHBondContact O-CB 3.19Å; I288-R292 WeakPolarHBondContact O-CG 3.35Å; I288-R292 PolarHBondContact O-N 3.37Å; I288-R292 VanDerWaalsContact O-N 3.09Å
289R45.6Very low40.5Very low179 Ų179133.8 Ų133.868%0.67567%0.671SS**Hα-helixtrans-69.5-37.3172.7-106.4-178.9178.2122.5-1.3113.2Q293R289-Q293 PolarHBondContact O-N 3Å
290R45.4Very low40.8Very low188 Ų188135 Ų13571%0.70967%0.671SS**Hα-helixtrans-74.8-31.8177.7-76.3-174.5-171.6159.83.7113.5L287 K294L287-R290 PolarHBondContact O-N 3.03Å; R290-K294 WeakPolarHBondContact O-CB 3.39Å; R290-K294 PolarHBondContact O-N 3.15Å
291I45.5Very low41.2Very low101 Ų101131.3 Ų131.352%0.51867%0.666SS.*Hα-helixtrans-76.1-36.5176.1-64.8168.7000110.7L287 K294 C295L287-I291 HydrophobicContact CD2-CD1 4.21Å; L287-I291 WeakPolarHBondContact O-CG1 3.44Å; L287-I291 PolarHBondContact O-N 3.19Å; L287-I291 VanDerWaalsContact O-N 3.13Å; I291-K294 PolarHBondContact O-N 3.47Å; I291-C295 PolarHBondContact O-N 2.88Å; I291-C295 PolarHBondContact O-SG 3.33Å
292R46.5Very low41.4Very low142 Ų142130.8 Ų130.854%0.53667%0.671SS.*Hα-helixtrans-72.7-27.8177.1-73.4-179.1177.3175-1.1114.3I288 H296I288-R292 HydrophobicContact CG2-CG 4.47Å; I288-R292 WeakPolarHBondContact O-CB 3.19Å; I288-R292 WeakPolarHBondContact O-CG 3.35Å; I288-R292 PolarHBondContact O-N 3.37Å; I288-R292 VanDerWaalsContact O-N 3.09Å; R292-H296 PolarHBondContact O-CD2 3.44Å
293Q48.4Very low42Very low144 Ų144133.5 Ų133.567%0.67367%0.672SS**Hα-helixtrans-76.7-29.4170.7-79.5-177.5-2700112.9R289 C295 S297R289-Q293 PolarHBondContact O-N 3Å; Q293-C295 VanDerWaalsContact C-N 3.34Å; Q293-S297 PolarHBondContact O-OG 2.86Å
294K43Very low42.2Very low168 Ų168138.1 Ų138.173%0.7368%0.679SS**Hα-helixtrans-77.8-16.7178.8-150168.7-176.5-179.50113.6R290 I291R290-K294 WeakPolarHBondContact O-CB 3.39Å; R290-K294 PolarHBondContact O-N 3.15Å; I291-K294 PolarHBondContact O-N 3.47Å
295C41.9Very low42.4Very low93 Ų93139.9 Ų139.963%0.62870%0.7SS**THydrogen-bonded Turntrans-96.82.6176.5-65.10000115I291 Q293I291-C295 PolarHBondContact O-N 2.88Å; I291-C295 PolarHBondContact O-SG 3.33Å; Q293-C295 VanDerWaalsContact C-N 3.34Å
296H44.5Very low42.2Very low171 Ų171139.3 Ų139.379%0.79270%0.699SS**SBendtrans-11715.6173.5-73.9-49.7000113.2R292R292-H296 PolarHBondContact O-CD2 3.44Å
297S43.5Very low42Very low69 Ų69140.7 Ų140.748%0.48371%0.707SS.*  trans-112.20-176.1-52.30000114.8Q293 E299Q293-S297 PolarHBondContact O-OG 2.86Å; S297-E299 VanDerWaalsContact C-N 3.33Å; S297-E299 PolarHBondContact O-N 2.92Å
298D36.8Very low41.8Very low152 Ų152145 Ų14581%0.81372%0.722SS**  trans-93.317.1-177.4-67.9-18.1000113.7
299E36.9Very low41.7Very low193 Ų193148.2 Ų148.290%0.90274%0.74SS**  trans-99.971.7164.3-103.4-176.5163.700109.3S297S297-E299 VanDerWaalsContact C-N 3.33Å; S297-E299 PolarHBondContact O-N 2.92Å
300I38Very low41.3Very low145 Ų145148 Ų14874%0.74475%0.747SS**  trans-130.5121.7167.7-57.9-179.8000110
301S38.6Very low41.1Very low106 Ų106146.1 Ų146.174%0.74176%0.756SS**  trans-49.2129.3176.557.90000114.9
302E37.7Very low40.9Very low202 Ų202150.4 Ų150.494%0.94477%0.771SS**  trans-98.4100.9154.9-81.8-173.2156.200109.6
303K43.3Very low40.5Very low185 Ų185147.3 Ų147.380%0.80478%0.783SS**  trans-132.8116.3164-120.3-178-175.5175.10108.5
304K41.8Very low40Very low200 Ų200147.6 Ų147.687%0.8780%0.795SS**  trans67.8106.8153.5-67.2-175.2173.3-1760119.6
305A39.7Very low39.7Very low104 Ų104143.2 Ų143.286%0.8680%0.797SS**  -164.3144.1129.500000105.1
306S39.4Very low39.5Very low100 Ų100146.3 Ų146.370%0.69981%0.807SS**  cis-169.3126.29.3140.40000105.6
307T39.2Very low39.3Very low118 Ų118145.1 Ų145.172%0.72481%0.813SS**  trans19.6138.2140.635.80000123.8
308K39.2Very low39Very low188 Ų188147.9 Ų147.982%0.81783%0.827SS**  trans79.8107.9145.9-71.8178.4176-179.10118.4
309D40.1Very low39.2Very low165 Ų165150.5 Ų150.588%0.88283%0.834SS**  -165.4142.395-90.3-25.7000112
310E37.4Very low39.1Very low174 Ų174144.9 Ų144.981%0.81383%0.828SS**  trans-107.2116.7-170.7-173.6-173.9-161.400107.7
311V42.5Very low39Very low148 Ų148146.9 Ų146.990%0.89783%0.834SS**  trans-137.1116.1161.9-178.90000110.1
312K41Very low38.9Very low191 Ų191149.5 Ų149.583%0.8384%0.838SS**  trans-54.1147.8172.9-68.9165.8171.4172.30113.1
313G37.4Very low38.9Very low77 Ų77145.3 Ų145.379%0.79483%0.828SS**  trans-176.987.4165.600000113.1
314T37.6Very low38.7Very low150 Ų150145 Ų14592%0.9283%0.832SS**  trans-58.8147.3175.445.60000114.7
315G38.2Very low38.5Very low76 Ų76141.5 Ų141.578%0.78483%0.827SS**  trans177.391.2164.800000114.1
316N37Very low38Very low158 Ų158141 Ų14185%0.84582%0.823SS**  trans-70.1145.6174-62.4-25.2000111.9
317T40.2Very low37.7Very low147 Ų147142 Ų14290%0.90283%0.83SS**  trans-158.4130.5137.637.90000111.6
318T37.6Very low37.4Very low127 Ų127141.8 Ų141.878%0.77983%0.829SS**  trans-81.1146.5-177.339.30000114.7
319H40Very low37.1Very low206 Ų206141 Ų14195%0.95483%0.833SS**  trans-180135.9146.7-94.7-65.5000106.6
320G36Very low36.9Very low76 Ų76143.9 Ų143.978%0.78483%0.831SS**  cis-169.6149.70.100000107.3
321E35Very low36.7Very low186 Ų186141 Ų14187%0.86983%0.831SS**  trans-78.6148.9-175.9-59.5167.8140.600112.8
322I37.7Very low36.4Very low161 Ų161142.3 Ų142.383%0.82683%0.827SS**  trans-149.1120.3135.5-55-177.7000108.3
323P36.8Very low36.2Very low114 Ų114138.9 Ų138.974%0.7482%0.821SS**  trans-109.8135.8158.433.9-22.1000110.8
324M38.4Very low36.1Very low179 Ų179146.7 Ų146.788%0.88283%0.827SS**  trans-117.5129.1168.6-86.1-95.2-73.200109.7
325T37.4Very low36.1Very low126 Ų126147.2 Ų147.277%0.77382%0.823SS**  trans-83.4149-169.243.90000114.3
326A29.5Very low36.2Very low93 Ų93152.4 Ų152.477%0.76982%0.824SS**  trans53.8115.6138.100000120.2
327S33.4Very low36.2Very low122 Ų122156.8 Ų156.885%0.85383%0.829SS**  -142.3122.7126.7-168.10000110.5
328T32.2Very low36.2Very low114 Ų114160.4 Ų160.470%0.69983%0.826SS**  trans-79.3132.9175.1-58.20000108.3
329L34.2Very low36.1Very low172 Ų172159.2 Ų159.290%0.90182%0.823SS**  trans-159.8115.2140.8-105.5164.1000110.2
330R35.5Very low36.1Very low224 Ų224157 Ų15785%0.84582%0.818SS**  trans-75132.8172.8-67.4173.9175.9-160.3-2109
331S33.5Very low36.2Very low114 Ų114159.6 Ų159.680%0.79782%0.818SS**  trans-137.2103.6149.956.40000109.4
332H36.4Very low36.4Very low176 Ų176156.9 Ų156.982%0.81581%0.814SS**  trans-76.9113.9163.7-91.7-66.1000108
333V35.9Very low36.4Very low118 Ų118154.1 Ų154.172%0.71581%0.809SS**  trans-106.596.4159.2179.80000107.8L335V333-L335 HydrophobicContact CG1-CD1 4.16Å; V333-L335 HydrophobicContact CG1-CG 4.05Å; V333-L335 PolarHBondContact O-N 3.2Å
334R35.8Very low36.7Very low241 Ų241156.8 Ų156.891%0.90981%0.812SS**  trans-74.6105.4160.6-93178.7170.1153.3-3107.3
335L38.2Very low37Very low161 Ų161157.5 Ų157.584%0.84381%0.81SS**PPolyproline II helixtrans-92.6123.9161.3-88.9161000110V333V333-L335 HydrophobicContact CG1-CD1 4.16Å; V333-L335 HydrophobicContact CG1-CG 4.05Å; V333-L335 PolarHBondContact O-N 3.2Å
336K39.9Very low37.2Very low185 Ų185160.6 Ų160.680%0.80482%0.815SS**PPolyproline II helixtrans-63.6120.3-172.8-132162.4178.3170.10109.9R338K336-R338 PolarHBondContact O-N 3.01Å
337R37.3Very low37.9Very low250 Ų250162.6 Ų162.694%0.94382%0.818SS**PPolyproline II helixtrans-64.5116.2157.4-78.9-177.9172.1156.1-2.1107.8
338R39Very low38.2Very low224 Ų224162 Ų16285%0.84581%0.814SS**  trans-103.8114.9160-87.7-175.5162.4174.2-4.6107.9K336K336-R338 PolarHBondContact O-N 3.01Å
339S36.5Very low39Very low101 Ų101162.4 Ų162.471%0.70682%0.816SS**  trans-66.9131.3165.554.30000109.8
340N39.2Very low39.4Very low160 Ų160163.1 Ų163.186%0.85681%0.812SS**  trans-125.497.1149.9-85.2-10.2000106.2
341V38.1Very low39.8Very low130 Ų130158.9 Ų158.979%0.78881%0.806SS**  trans-90112.2159.7172.30000104.7
342V40Very low40.4Very low130 Ų130162.7 Ų162.779%0.78881%0.808SS**  trans-108.2116.1165.5175.20000106.1
343S37.6Very low40.7Very low103 Ų103164.2 Ų164.272%0.7281%0.812SS**  trans-112.1111.2170.255.10000108.1
344E42.1Very low41.1Very low170 Ų170163.9 Ų163.979%0.79482%0.815SS**  trans-143.2105.5159.4-74.3-164.4150.100106.3
345K45.7Very low41.3Very low194 Ų194161.7 Ų161.784%0.84382%0.815SS**  79.4111.9100.5-96.3-178.6176.8174.50113.6
346E42.1Very low41.4Very low190 Ų190158.7 Ų158.789%0.88881%0.814SS**  trans-28.8132.1160.5-66.7169125.900115.2
347V43.2Very low41.2Very low135 Ų135155.2 Ų155.282%0.81881%0.813SS**  trans-138.9110.8140.31780000107.9V349V347-V349 HydrophobicContact CG1-CG2 3.98Å
348S40Very low41.6Very low111 Ų111149 Ų14978%0.77681%0.805SS**  trans-89123165.3123.60000107.7
349V49.8Very low41.5Very low122 Ų122144.3 Ų144.374%0.73980%0.801SS**  trans-133.9116.6160177.30000108.4V347V347-V349 HydrophobicContact CG1-CG2 3.98Å
350K40.9Very low41.7Very low186 Ų186147.1 Ų147.181%0.80981%0.807SS**  trans-73.2135.8164.6-75.8171.9171.2172.50108.7
351D45.7Very low41.8Very low136 Ų136148.1 Ų148.173%0.72780%0.803SS**  trans-165.6108.2142.5-89.6-34.9000107.9
352K46.1Very low41.8Very low193 Ų193153.9 Ų153.984%0.83981%0.811SS**  74.3102.395.7-78.8-175.9179.7171.10115.3
353K42.6Very low41.8Very low208 Ų208153.8 Ų153.890%0.90481%0.81SS**  trans19.2122.1137.6-81.5-179.4168.6-177.90119.7
354S44.3Very low41.7Very low111 Ų111152.2 Ų152.278%0.77681%0.811SS**  168.1106.2124.553.10000107.5
355E40Very low41.5Very low195 Ų195151.4 Ų151.491%0.91181%0.81SS**  56.399.586.7-158.3172.1-145.500113.4
356A39.5Very low41.1Very low99 Ų99147.2 Ų147.282%0.81881%0.805SS**  trans170.3113.1141.500000110.9
357S35.9Very low41.3Very low112 Ų112145.7 Ų145.778%0.78380%0.802SS**  trans-71.2147.5165.6-52.50000111.2
358P45.8Very low41Very low119 Ų119146.2 Ų146.277%0.77380%0.8SS**  trans-102.9104.8154.427-14.2000110.3I360P358-I360 PolarHBondContact O-N 2.83Å
359T36.1Very low41.2Very low125 Ų125149.7 Ų149.777%0.76780%0.804SS**  trans-62.9110.3160.4-50.80000108.7K361T359-K361 PolarHBondContact O-N 3.2Å
360I41.3Very low40.6Very low160 Ų160152.4 Ų152.482%0.82181%0.809SS**  trans-75.7109.8171-64.3176.2000107.9P358P358-I360 PolarHBondContact O-N 2.83Å
361K40.6Very low40.7Very low181 Ų181150.8 Ų150.879%0.78781%0.807SS**  trans-65.2125.3177-69.9175.7176177.10110.3T359 V363T359-K361 PolarHBondContact O-N 3.2Å; K361-V363 PolarHBondContact O-N 3.34Å
362R38.3Very low40.4Very low251 Ų251149.8 Ų149.895%0.94781%0.806SS**  trans-63120.4157.9-83.7179.2173.5164.6-2.6108.5
363V40.7Very low39.9Very low128 Ų128148.4 Ų148.478%0.77681%0.808SS**  trans-90.6115.6161.1173.70000106.5K361K361-V363 PolarHBondContact O-N 3.34Å
364G34.7Very low39.6Very low71 Ų71142.8 Ų142.873%0.73280%0.801SS**  trans-81.5144.9168.200000110.3
365I37.3Very low39.4Very low152 Ų152143.4 Ų143.478%0.77980%0.8SS**  trans-132.3105.5158.6-43.2174.9000104.7
366S38.8Very low39.4Very low106 Ų106139.4 Ų139.474%0.74179%0.793SS**  trans-84.7134.5166.349.70000108.4
367I45.6Very low39.2Very low158 Ų158137.9 Ų137.981%0.8179%0.787SS**  trans-12799.4160.8-61.7173.8000105.5
368D37.6Very low39.1Very low147 Ų147140.3 Ų140.379%0.78679%0.79SS**  trans-74.6135.6153.4-74.6-41.2000107.5
369E44.2Very low38.7Very low184 Ų184139.4 Ų139.486%0.8678%0.783SS**  -179.3108127.5-103.6176.916500110.9
370E36.8Very low38.8Very low178 Ų178142.5 Ų142.583%0.83279%0.785SS**  trans-28.2138147.3-175.5176.2-164.600115
371I42Very low38.5Very low152 Ų152139.3 Ų139.378%0.77978%0.783SS**  trans-169.4100.6148-90.4145.7000110
372T40.3Very low38.5Very low115 Ų115138.7 Ų138.771%0.70679%0.787SS**  trans44.4118.9134.764.10000124.2
373N35.4Very low38.3Very low165 Ų165135.7 Ų135.788%0.88278%0.783SS**  18.6123.3125-67.8-19.4000121.2
374A37.2Very low38.2Very low90 Ų90134.3 Ų134.374%0.74478%0.779SS**  trans164.1139136.500000106.6
375T39.4Very low38.2Very low124 Ų124137.9 Ų137.976%0.76178%0.781SS**  cis-175.914339-18.50000108.6
376S40.3Very low38.2Very low111 Ų111138.4 Ų138.478%0.77678%0.784SS**  trans35.7135.6141.3660000120.9
377G34.6Very low38.2Very low66 Ų66138.7 Ų138.768%0.6878%0.781SS**  cis123.8139.524.600000110.6
378L34.6Very low37.7Very low164 Ų164137 Ų13786%0.85978%0.778SS**  trans70.8139.1159.6-108.274.7000117.1
379T36.2Very low37.8Very low100 Ų100136.5 Ų136.561%0.61378%0.776SS**  cis-172.7145.921-8.60000111.2
380K38.8Very low37.5Very low189 Ų189138.7 Ų138.782%0.82278%0.776SS**  trans64104.5138.8-71.3176.3-171.1178.80123.1
381A34.4Very low37.1Very low94 Ų94133.5 Ų133.578%0.77777%0.771SS**  23.2126.1117.100000120.7
382I40.4Very low37Very low167 Ų167134.3 Ų134.386%0.85678%0.775SS**  trans-146.5115.8138.8-57.3-175.1000109.3
383H34.9Very low36.7Very low188 Ų188135.1 Ų135.187%0.8778%0.775SS**  trans-85.4136.5156.5-93.7-78.7000108.3
384S39.2Very low37.1Very low99 Ų99132.4 Ų132.469%0.69277%0.766SS**  trans173.8119.4132.140.40000112.4
385D33.9Very low36.9Very low146 Ų146134 Ų13478%0.78176%0.761SS**  36.2143.2129.9-54.2-24.6000122.5
386I37.5Very low36.7Very low163 Ų163134.7 Ų134.784%0.83676%0.76SS**  trans139.8131.2144.3-72.5160000108.9
387V37.7Very low36.3Very low113 Ų113136.6 Ų136.669%0.68576%0.761SS**  cis179.3134.8-19.9129.90000104.5
388T36Very low36.2Very low121 Ų121138.5 Ų138.574%0.74276%0.764SS**  trans35.7128.4153.9670000121.7
389D39.2Very low36.2Very low138 Ų138139.2 Ų139.274%0.73877%0.768SS**  -149.4117.8115.9-134.1-5.5000114
390R37.6Very low36.1Very low229 Ų229142.9 Ų142.986%0.86478%0.778SS**  trans17.9113.7150.5-61.2168.3-159.2-136.4-1.4120.7
391G29.8Very low35.8Very low70 Ų70143.1 Ų143.172%0.72278%0.78SS**  91.6106.9103.900000117.8
392I39.6Very low35.8Very low169 Ų169148.6 Ų148.687%0.86779%0.786SS**  167.6109.9123.1-79.8153.4000106.7
393D33.6Very low35.4Very low131 Ų131150 Ų15070%0.70179%0.789SS**  trans-64.9146.4170.1-93.2-40.2000111.4
394P44Very low35.3Very low109 Ų109149.6 Ų149.671%0.70879%0.788SS**  trans-126.378.1130.335.3-23.8000109.8
395I33.6Very low35Very low124 Ų124152.2 Ų152.264%0.63679%0.794SS**  trans-65126.9144.7-61.2170.3000105.1
396N34.4Very low34.9Very low138 Ų138151.7 Ų151.774%0.73880%0.796SS**  trans89.784.1-172.2-52.7-27.2000114.3
397N32.8Very low34.9Very low150 Ų150149.2 Ų149.280%0.80279%0.792SS**  trans-159.1113.4137.2-91.5-28.6000111.1
398S32.6Very low34.8Very low106 Ų106153.2 Ų153.274%0.74180%0.8SS**  trans5882.8149.3700000118.6
399L33.3Very low34.8Very low179 Ų179156.3 Ų156.394%0.93781%0.811SS**  trans-125.949.4145.5-146.793000109.6
400E34Very low34.7Very low178 Ų178153.2 Ų153.283%0.83281%0.812SS**  trans-110.970.7168.8-77.6-170.9161.800108.7
401F32.8Very low34.5Very low193 Ų193151.4 Ų151.485%0.84681%0.813SS**SBendtrans-156.8126.3161-89.1-74.7000107.9
402F34Very low34.9Very low210 Ų210151.4 Ų151.492%0.92180%0.803SS**SBendtrans96.525.9-179.2-63-78000119.5
403E32.4Very low35.2Very low196 Ų196149.2 Ų149.292%0.91680%0.801SS**  trans-115.757163.3-136.1173-156.400111.4
404Q32.7Very low36.1Very low180 Ų180151.7 Ų151.784%0.84181%0.808SS**  trans-152.590.4167.7-111.416710.900107.5
405D33.7Very low36.4Very low154 Ų154151.6 Ų151.682%0.82480%0.802SS**  trans173.649.3151.5-85.9-14.7000110.6C407D405-C407 VanDerWaalsContact C-N 3.33Å; D405-C407 PolarHBondContact O-N 3.33Å
406V31.9Very low37.2Very low134 Ų134154.1 Ų154.181%0.81280%0.803SS**  trans-94.674.4160.8-175.30000106.9F408V406-F408 PolarHBondContact O-N 3.13Å
407C36.7Very low38.1Very low112 Ų112155.7 Ų155.776%0.75781%0.806SS**  trans-69.4112.1169.1-72.50000109.1D405 L409D405-C407 VanDerWaalsContact C-N 3.33Å; D405-C407 PolarHBondContact O-N 3.33Å; C407-L409 PolarHBondContact O-N 3.09Å
408F35.2Very low39.2Very low196 Ų196152.9 Ų152.986%0.8679%0.794SS**  trans-47.8126168.6-93.9-103.8000111.4V406 G410V406-F408 PolarHBondContact O-N 3.13Å; F408-G410 PolarHBondContact O-N 3.12Å
409L37.8Very low40.4Very low186 Ų186153.9 Ų153.997%0.97479%0.787SS**THydrogen-bonded Turntrans-54.4106.1165-82.3108.5000109.6C407C407-L409 PolarHBondContact O-N 3.09Å
410G36Very low41.7Very low73 Ų73150.9 Ų150.975%0.75377%0.772SS**THydrogen-bonded Turntrans178.5-25.3171.500000116.9F408F408-G410 PolarHBondContact O-N 3.12Å
411Q34.2Very low43.3Very low191 Ų191144 Ų14489%0.89375%0.749SS**SBendtrans-142.5116.6-173.2-67.6178.3-0.400111
412S38.4Very low45.1Very low71 Ų71139.8 Ų139.850%0.49774%0.735SS.*  trans133.572.5161-1680000112.3Q414S412-Q414 VanDerWaalsContact C-N 3.28Å
413C44.2Very low46.8Very low123 Ų123137.8 Ų137.883%0.83172%0.722SS**SBendtrans-82.6-4.3165.4-72.50000112.8
414Q52.6Low48.7Very low182 Ų182135.2 Ų135.285%0.8571%0.705SS**SBendtrans-94-18.6-175.7-94.3164.1-35.800114.9S412S412-Q414 VanDerWaalsContact C-N 3.28Å
415N51Low50.6Low108 Ų108133 Ų13358%0.57869%0.694SS**SBendtrans-87.4-13176.4-91.1-2.7000115Q417 T418 E419N415-Q417 VanDerWaalsContact C-N 3.34Å; N415-Q417 PolarHBondContact O-N 2.94Å; N415-T418 PolarHBondContact O-N 3.43Å; N415-E419 PolarHBondContact O-N 3.01Å
416R50Low52.6Low177 Ų177130.6 Ų130.667%0.66868%0.681SS**Hα-helixtrans-67.9-26.4-173.6-82.3-172.7177.5-179.60.4114.6L420R416-L420 WeakPolarHBondContact O-CB 3.45Å; R416-L420 WeakPolarHBondContact O-CD1 3.39Å; R416-L420 WeakPolarHBondContact O-CG 3.35Å; R416-L420 PolarHBondContact O-N 3.22Å
417Q53.7Low54.7Low170 Ų170129.9 Ų129.979%0.79467%0.668SS**Hα-helixtrans-74.8-40.7179.3-85.1178.4-15.300112.5N415 L420 G421N415-Q417 VanDerWaalsContact C-N 3.34Å; N415-Q417 PolarHBondContact O-N 2.94Å; Q417-L420 PolarHBondContact O-N 3.34Å; Q417-G421 PolarHBondContact O-N 3.3Å; Q417-G421 VanDerWaalsContact O-N 3.16Å
418T56.5Low56.7Low91 Ų91129.3 Ų129.356%0.55866%0.655SS**Hα-helixtrans-68.8-37.9177.5-34.90000111.4N415 G421 N422N415-T418 PolarHBondContact O-N 3.43Å; T418-G421 PolarHBondContact O-N 3.49Å; T418-N422 PolarHBondContact O-N 3.33Å; T418-N422 VanDerWaalsContact O-N 3.09Å
419E57.1Low58.6Low127 Ų127122.9 Ų122.959%0.59363%0.634SS**Hα-helixtrans-69.2-34.3178.9-153.6176-165.800112.5N415 R423N415-E419 PolarHBondContact O-N 3.01Å; E419-R423 WeakPolarHBondContact O-CB 3.35Å; E419-R423 PolarHBondContact O-N 3.28Å
420L60.6Low60.4Low116 Ų116117.6 Ų117.661%0.60761%0.606SS**Hα-helixtrans-68.3-38.9172.2-77.2167.9000112.3R416 Q417 R423 Y424R416-L420 WeakPolarHBondContact O-CB 3.45Å; R416-L420 WeakPolarHBondContact O-CD1 3.39Å; R416-L420 WeakPolarHBondContact O-CG 3.35Å; R416-L420 PolarHBondContact O-N 3.22Å; Q417-L420 PolarHBondContact O-N 3.34Å; L420-R423 PolarHBondContact O-N 2.94Å; L420-Y424 WeakPolarHBondContact O-CB 3.28Å; L420-Y424 PolarHBondContact O-N 3.03Å
421G67.8Low62.5Low35 Ų35117.6 Ų117.636%0.36159%0.592SS.*Hα-helixtrans-62.4-44.9175.300000112.6Q417 T418 Y424 Q425Q417-G421 PolarHBondContact O-N 3.3Å; Q417-G421 VanDerWaalsContact O-N 3.16Å; T418-G421 PolarHBondContact O-N 3.49Å; G421-Y424 PolarHBondContact O-N 3.29Å; G421-Q425 PolarHBondContact O-N 3.43Å; G421-Q425 VanDerWaalsContact O-N 3.07Å
422N71Confident64.5Low104 Ų104111 Ų11156%0.55657%0.57SS**Hα-helixtrans-68-39.6178-70.1-9.9000112.3T418 Q425 L426T418-N422 PolarHBondContact O-N 3.33Å; T418-N422 VanDerWaalsContact O-N 3.09Å; N422-Q425 PolarHBondContact O-N 3.28Å; N422-L426 WeakPolarHBondContact O-CB 3.22Å; N422-L426 PolarHBondContact O-N 3.24Å
423R70.5Confident66.4Low168 Ų168113.8 Ų113.863%0.63458%0.575SS**Hα-helixtrans-62.4-43.7173.8-95.1-171.9168.4-174.2-1.9112.2E419 L420 L426 E427E419-R423 WeakPolarHBondContact O-CB 3.35Å; E419-R423 PolarHBondContact O-N 3.28Å; L420-R423 PolarHBondContact O-N 2.94Å; R423-L426 PolarHBondContact O-N 2.97Å; R423-E427 WeakPolarHBondContact O-CB 3.35Å; R423-E427 WeakPolarHBondContact O-CG 3.32Å; R423-E427 PolarHBondContact O-N 3.26Å
424Y72Confident68.1Low142 Ų142112.7 Ų112.756%0.55756%0.558SS**Hα-helixtrans-64.1-42.1179.7-174.9-107.1000112.1L420 G421 E427 Q428L420-Y424 WeakPolarHBondContact O-CB 3.28Å; L420-Y424 PolarHBondContact O-N 3.03Å; G421-Y424 PolarHBondContact O-N 3.29Å; Y424-E427 PolarHBondContact O-N 3.37Å; Y424-Q428 HydrophobicContact CE1-CG 4.31Å; Y424-Q428 WeakPolarHBondContact O-CG 3.16Å; Y424-Q428 PolarHBondContact O-N 3Å; Y424-Q428 PolarHBondContact OH-NE2 2.91Å
425Q71.7Confident69.5Low134 Ų134109.6 Ų109.663%0.62655%0.545SS*.Hα-helixtrans-64.7-40173.9-73.6-174.12.100112.5G421 N422 Q428 S429G421-Q425 PolarHBondContact O-N 3.43Å; G421-Q425 VanDerWaalsContact O-N 3.07Å; N422-Q425 PolarHBondContact O-N 3.28Å; Q425-Q428 PolarHBondContact O-N 3.49Å; Q425-S429 WeakPolarHBondContact O-CB 2.89Å; Q425-S429 PolarHBondContact O-N 3.44Å; Q425-S429 PolarHBondContact O-OG 2.91Å
426L76Confident70.9Confident102 Ų102111.1 Ų111.153%0.53455%0.548SS..Hα-helixtrans-63.3-47176.1-176.165.7000111.3N422 R423 Q428 S429 I430N422-L426 WeakPolarHBondContact O-CB 3.22Å; N422-L426 PolarHBondContact O-N 3.24Å; R423-L426 PolarHBondContact O-N 2.97Å; L426-Q428 VanDerWaalsContact C-N 3.33Å; L426-Q428 PolarHBondContact O-N 3.22Å; L426-S429 WeakPolarHBondContact CA-OG 3.39Å; L426-S429 PolarHBondContact O-N 3.1Å; L426-S429 VanDerWaalsContact O-N 3.16Å; L426-S429 PolarHBondContact O-OG 3.48Å; L426-I430 HydrophobicContact CD1-CD1 4.26Å; L426-I430 HydrophobicContact CG-CD1 3.98Å; L426-I430 WeakPolarHBondContact O-CG1 3.45Å; L426-I430 PolarHBondContact O-N 2.9Å
427E76.5Confident72.3Confident119 Ų119106.5 Ų106.556%0.55654%0.54SS*.Hα-helixtrans-60.7-40.8176.6-75.9178.6179.200112R423 Y424 T431R423-E427 WeakPolarHBondContact O-CB 3.35Å; R423-E427 WeakPolarHBondContact O-CG 3.32Å; R423-E427 PolarHBondContact O-N 3.26Å; Y424-E427 PolarHBondContact O-N 3.37Å; E427-T431 WeakPolarHBondContact O-CB 3.27Å; E427-T431 PolarHBondContact O-N 2.96Å; E427-T431 PolarHBondContact O-OG1 3.16Å
428Q77.2Confident73.4Confident100 Ų100104.3 Ų104.347%0.46753%0.528SS..Hα-helixtrans-63.5-41.7173.3-76-166.5-0.100112.5Y424 Q425 L426 T431 A432Y424-Q428 HydrophobicContact CE1-CG 4.31Å; Y424-Q428 WeakPolarHBondContact O-CG 3.16Å; Y424-Q428 PolarHBondContact O-N 3Å; Y424-Q428 PolarHBondContact OH-NE2 2.91Å; Q425-Q428 PolarHBondContact O-N 3.49Å; L426-Q428 VanDerWaalsContact C-N 3.33Å; L426-Q428 PolarHBondContact O-N 3.22Å; Q428-T431 PolarHBondContact O-N 3.48Å; Q428-A432 WeakPolarHBondContact O-CB 3.47Å; Q428-A432 PolarHBondContact O-N 2.75Å
429S76Confident74.6Confident62 Ų62106.6 Ų106.643%0.43453%0.533SS..Hα-helixtrans-66.2-40.1179.570.50000112.7Q425 L426 A432 Q433Q425-S429 WeakPolarHBondContact O-CB 2.89Å; Q425-S429 PolarHBondContact O-N 3.44Å; Q425-S429 PolarHBondContact O-OG 2.91Å; L426-S429 WeakPolarHBondContact CA-OG 3.39Å; L426-S429 PolarHBondContact O-N 3.1Å; L426-S429 VanDerWaalsContact O-N 3.16Å; L426-S429 PolarHBondContact O-OG 3.48Å; S429-A432 PolarHBondContact O-N 3.32Å; S429-Q433 WeakPolarHBondContact O-CB 3.46Å; S429-Q433 PolarHBondContact O-N 3.29Å
430I75.6Confident75.7Confident74 Ų74106.3 Ų106.338%0.37953%0.534SS..Hα-helixtrans-65.8-45.7175.5-67.9168.7000109.6L426 A432 Q433 E434L426-I430 HydrophobicContact CD1-CD1 4.26Å; L426-I430 HydrophobicContact CG-CD1 3.98Å; L426-I430 WeakPolarHBondContact O-CG1 3.45Å; L426-I430 PolarHBondContact O-N 2.9Å; I430-A432 VanDerWaalsContact C-N 3.32Å; I430-A432 PolarHBondContact O-N 3.01Å; I430-Q433 PolarHBondContact O-N 3.19Å; I430-E434 HydrophobicContact CG2-CG 4.34Å; I430-E434 WeakPolarHBondContact O-CB 3.38Å; I430-E434 WeakPolarHBondContact O-CG 3.44Å; I430-E434 PolarHBondContact O-N 3.4Å
431T80.7Confident76.6Confident74 Ų74106.8 Ų106.845%0.45453%0.532SS..Hα-helixtrans-61.7-40.1178.7-53.30000111.7E427 Q428 E434 M435E427-T431 WeakPolarHBondContact O-CB 3.27Å; E427-T431 PolarHBondContact O-N 2.96Å; E427-T431 PolarHBondContact O-OG1 3.16Å; Q428-T431 PolarHBondContact O-N 3.48Å; T431-E434 PolarHBondContact O-N 3.46Å; T431-M435 WeakPolarHBondContact O-CG 3.31Å; T431-M435 PolarHBondContact O-N 3.05Å
432A76.4Confident77.2Confident53 Ų53107.6 Ų107.644%0.43853%0.532SS..Hα-helixtrans-65.2-43.8176.400000112.1Q428 S429 I430 E434 M435 E436Q428-A432 WeakPolarHBondContact O-CB 3.47Å; Q428-A432 PolarHBondContact O-N 2.75Å; S429-A432 PolarHBondContact O-N 3.32Å; I430-A432 VanDerWaalsContact C-N 3.32Å; I430-A432 PolarHBondContact O-N 3.01Å; A432-E434 VanDerWaalsContact C-N 3.34Å; A432-E434 PolarHBondContact O-N 3.45Å; A432-M435 PolarHBondContact O-N 2.8Å; A432-E436 PolarHBondContact O-N 3.47Å
433Q78.4Confident77.5Confident128 Ų128105.7 Ų105.760%0.59853%0.53SS*.Hα-helixtrans-64.6-38.2177-171.8179.35.600112S429 I430 T437S429-Q433 WeakPolarHBondContact O-CB 3.46Å; S429-Q433 PolarHBondContact O-N 3.29Å; I430-Q433 PolarHBondContact O-N 3.19Å; Q433-T437 WeakPolarHBondContact O-CG2 3.46Å; Q433-T437 PolarHBondContact O-N 2.83Å; Q433-T437 PolarHBondContact O-OG1 3.41Å
434E80Confident77.9Confident101 Ų101101.1 Ų101.147%0.47252%0.521SS..Hα-helixtrans-66.1-38.9175-74.8-178.5168.300112.2I430 T431 A432 T437 F438I430-E434 HydrophobicContact CG2-CG 4.34Å; I430-E434 WeakPolarHBondContact O-CB 3.38Å; I430-E434 WeakPolarHBondContact O-CG 3.44Å; I430-E434 PolarHBondContact O-N 3.4Å; T431-E434 PolarHBondContact O-N 3.46Å; A432-E434 VanDerWaalsContact C-N 3.34Å; A432-E434 PolarHBondContact O-N 3.45Å; E434-T437 WeakPolarHBondContact CA-OG1 3.4Å; E434-T437 PolarHBondContact O-OG1 3.16Å; E434-F438 VanDerWaalsContact O-CB 3.3Å; E434-F438 WeakPolarHBondContact O-CB 3.49Å; E434-F438 PolarHBondContact O-N 3.25Å
435M80.2Confident78Confident117 Ų11798.9 Ų98.958%0.57652%0.517SS*.Hα-helixtrans-67-44.1174.7-73.9-160.6-52.700112.2T431 A432 T437 F438 E439T431-M435 WeakPolarHBondContact O-CG 3.31Å; T431-M435 PolarHBondContact O-N 3.05Å; A432-M435 PolarHBondContact O-N 2.8Å; M435-T437 VanDerWaalsContact C-N 3.35Å; M435-T437 PolarHBondContact O-N 3.08Å; M435-F438 PolarHBondContact O-N 3.02Å; M435-E439 WeakPolarHBondContact O-CG 3.45Å; M435-E439 PolarHBondContact O-N 3.48Å
436E80.3Confident78Confident139 Ų13994.4 Ų94.465%0.6551%0.507SS*.Hα-helixtrans-62.2-42.6179-173.3179.3-170.200111.6A432 E439 L440A432-E436 PolarHBondContact O-N 3.47Å; E436-E439 PolarHBondContact O-N 3.3Å; E436-L440 WeakPolarHBondContact O-CB 3.49Å; E436-L440 PolarHBondContact O-N 3.49Å
437T80.4Confident77.6Confident81 Ų8192.4 Ų92.450%0.49750%0.502SS..Hα-helixtrans-67.7-35.8176.348.70000112.5Q433 E434 M435 F441Q433-T437 WeakPolarHBondContact O-CG2 3.46Å; Q433-T437 PolarHBondContact O-N 2.83Å; Q433-T437 PolarHBondContact O-OG1 3.41Å; E434-T437 WeakPolarHBondContact CA-OG1 3.4Å; E434-T437 PolarHBondContact O-OG1 3.16Å; M435-T437 VanDerWaalsContact C-N 3.35Å; M435-T437 PolarHBondContact O-N 3.08Å; T437-F441 WeakPolarHBondContact O-CB 3.26Å; T437-F441 PolarHBondContact O-N 3.21Å
438F77.7Confident76.9Confident124 Ų12491.1 Ų91.154%0.54450%0.502SS..Hα-helixtrans-69.1-39.8175-175.3-96.3000112.8E434 M435 F441 S442E434-F438 VanDerWaalsContact O-CB 3.3Å; E434-F438 WeakPolarHBondContact O-CB 3.49Å; E434-F438 PolarHBondContact O-N 3.25Å; M435-F438 PolarHBondContact O-N 3.02Å; F438-F441 PolarHBondContact O-N 2.89Å; F438-S442 WeakPolarHBondContact O-CB 3.41Å; F438-S442 PolarHBondContact O-N 2.84Å; F438-S442 PolarHBondContact O-OG 3.45Å
439E80.4Confident75.9Confident139 Ų13990.5 Ų90.565%0.6551%0.508SS*.Hα-helixtrans-63.9-43.6173.7-76.4-173174.300111.3M435 E436 F441 S442 A443M435-E439 WeakPolarHBondContact O-CG 3.45Å; M435-E439 PolarHBondContact O-N 3.48Å; E436-E439 PolarHBondContact O-N 3.3Å; E439-F441 PolarHBondContact O-N 3.46Å; E439-S442 PolarHBondContact O-N 3.02Å; E439-A443 WeakPolarHBondContact O-CB 3.3Å; E439-A443 PolarHBondContact O-N 3.26Å
440L81Confident75Confident121 Ų12193.2 Ų93.263%0.63452%0.522SS*.Hα-helixtrans-62.4-42.1175.8-172.768.2000111.8E436 T444E436-L440 WeakPolarHBondContact O-CB 3.49Å; E436-L440 PolarHBondContact O-N 3.49Å; L440-T444 WeakPolarHBondContact O-CB 3.44Å; L440-T444 PolarHBondContact O-N 3.49Å; L440-T444 PolarHBondContact O-OG1 3.44Å
441F79.8Confident74Confident126 Ų12696.3 Ų96.355%0.55354%0.538SS*.Hα-helixtrans-63-44.9174.9179.5-100000111.6T437 F438 E439 T444 M445T437-F441 WeakPolarHBondContact O-CB 3.26Å; T437-F441 PolarHBondContact O-N 3.21Å; F438-F441 PolarHBondContact O-N 2.89Å; E439-F441 PolarHBondContact O-N 3.46Å; F441-T444 PolarHBondContact O-N 2.91Å; F441-M445 HydrophobicContact CD1-CG 4.27Å; F441-M445 HydrophobicContact CE1-CG 3.83Å; F441-M445 HydrophobicContact CE2-CG 4.11Å; F441-M445 HydrophobicContact CE2-SD 4.43Å; F441-M445 HydrophobicContact CZ-CG 3.74Å; F441-M445 HydrophobicContact CZ-SD 4.19Å; F441-M445 WeakPolarHBondContact O-CG 3.31Å; F441-M445 PolarHBondContact O-N 3.23Å
442S79.1Confident72.5Confident52 Ų5297.4 Ų97.436%0.36455%0.545SS..Hα-helixtrans-64.9-41.4178.5-59.90000112.1F438 E439 T444 M445 G446F438-S442 WeakPolarHBondContact O-CB 3.41Å; F438-S442 PolarHBondContact O-N 2.84Å; F438-S442 PolarHBondContact O-OG 3.45Å; E439-S442 PolarHBondContact O-N 3.02Å; S442-T444 VanDerWaalsContact C-N 3.32Å; S442-T444 PolarHBondContact O-N 3Å; S442-M445 PolarHBondContact O-N 3.4Å; S442-G446 PolarHBondContact O-N 3.28Å
443A77.5Confident71.6Confident63 Ų63106.2 Ų106.252%0.52157%0.567SS.*Hα-helixtrans-63.5-38.9174.300000111.8E439 S447E439-A443 WeakPolarHBondContact O-CB 3.3Å; E439-A443 PolarHBondContact O-N 3.26Å; A443-S447 WeakPolarHBondContact O-CB 3.45Å; A443-S447 PolarHBondContact O-N 3.14Å; A443-S447 PolarHBondContact O-OG 3.28Å
444T78.6Confident70.5Confident72 Ų72109.3 Ų109.344%0.44258%0.581SS.*Hα-helixtrans-67.1-44176.4-54.70000111.1L440 F441 S442 S447 V448L440-T444 WeakPolarHBondContact O-CB 3.44Å; L440-T444 PolarHBondContact O-N 3.49Å; L440-T444 PolarHBondContact O-OG1 3.44Å; F441-T444 PolarHBondContact O-N 2.91Å; S442-T444 VanDerWaalsContact C-N 3.32Å; S442-T444 PolarHBondContact O-N 3Å; T444-S447 WeakPolarHBondContact CA-OG 3.35Å; T444-S447 PolarHBondContact O-N 2.92Å; T444-S447 PolarHBondContact O-OG 3.02Å; T444-V448 WeakPolarHBondContact O-CG2 3.2Å; T444-V448 PolarHBondContact O-N 3.22Å; T444-V448 VanDerWaalsContact O-N 3.08Å
445M75.4Confident69.3Low96 Ų96112.4 Ų112.447%0.47360%0.601SS.*Hα-helixtrans-69.4-35.6178.1-70.7-61.9-63.600112.6F441 S442 V448 S449F441-M445 HydrophobicContact CD1-CG 4.27Å; F441-M445 HydrophobicContact CE1-CG 3.83Å; F441-M445 HydrophobicContact CE2-CG 4.11Å; F441-M445 HydrophobicContact CE2-SD 4.43Å; F441-M445 HydrophobicContact CZ-CG 3.74Å; F441-M445 HydrophobicContact CZ-SD 4.19Å; F441-M445 WeakPolarHBondContact O-CG 3.31Å; F441-M445 PolarHBondContact O-N 3.23Å; S442-M445 PolarHBondContact O-N 3.4Å; M445-V448 PolarHBondContact O-N 3.25Å; M445-S449 PolarHBondContact O-N 3.05Å; M445-S449 PolarHBondContact O-OG 3.05Å
446G70.9Confident68.1Low40 Ų40113.1 Ų113.141%0.41261%0.612SS.*Hα-helixtrans-66.1-37174.200000113.1S442 S449 T450S442-G446 PolarHBondContact O-N 3.28Å; G446-S449 PolarHBondContact O-N 2.66Å; G446-T450 PolarHBondContact O-OG1 2.93Å
447S66.8Low66.9Low60 Ų60115.8 Ų115.842%0.4263%0.625SS.*Hα-helixtrans-74.1-30.7175.643.70000113.1A443 T444 S449 T450A443-S447 WeakPolarHBondContact O-CB 3.45Å; A443-S447 PolarHBondContact O-N 3.14Å; A443-S447 PolarHBondContact O-OG 3.28Å; T444-S447 WeakPolarHBondContact CA-OG 3.35Å; T444-S447 PolarHBondContact O-N 2.92Å; T444-S447 PolarHBondContact O-OG 3.02Å; S447-S449 VanDerWaalsContact C-N 3.27Å; S447-S449 PolarHBondContact O-N 3.04Å; S447-T450 PolarHBondContact O-N 3.12Å; S447-T450 PolarHBondContact O-OG1 3.23Å
448V62.2Low65.5Low92 Ų92121.1 Ų121.156%0.55864%0.644SS**Hα-helixtrans-68.5-28.5172174.30000112T444 M445 T450T444-V448 WeakPolarHBondContact O-CG2 3.2Å; T444-V448 PolarHBondContact O-N 3.22Å; T444-V448 VanDerWaalsContact O-N 3.08Å; M445-V448 PolarHBondContact O-N 3.25Å; V448-T450 VanDerWaalsContact C-N 3.31Å; V448-T450 PolarHBondContact O-N 3.47Å
449S57.4Low64Low87 Ų87121 Ų12161%0.60866%0.659SS**THydrogen-bonded Turntrans-79.8-8.9-179.1-54.80000114.2M445 G446 S447M445-S449 PolarHBondContact O-N 3.05Å; M445-S449 PolarHBondContact O-OG 3.05Å; G446-S449 PolarHBondContact O-N 2.66Å; S447-S449 VanDerWaalsContact C-N 3.27Å; S447-S449 PolarHBondContact O-N 3.04Å
450T55.5Low62.6Low119 Ų119127.3 Ų127.373%0.7369%0.688SS**THydrogen-bonded Turntrans-98.11.6178.238.30000113.5G446 S447 V448G446-T450 PolarHBondContact O-OG1 2.93Å; S447-T450 PolarHBondContact O-N 3.12Å; S447-T450 PolarHBondContact O-OG1 3.23Å; V448-T450 VanDerWaalsContact C-N 3.31Å; V448-T450 PolarHBondContact O-N 3.47Å
451I55.1Low61.7Low139 Ų139127.7 Ų127.771%0.71369%0.691SS**SBendtrans-99.41.2-174.9-66.1172.9000113
452T50.3Low60.7Low96 Ų96127.7 Ų127.759%0.58970%0.698SS**SBendtrans-132.3126.1174.450.40000107.9
453W56.4Low59.7Low238 Ų238131.9 Ų131.990%0.90272%0.717SS**SBendtrans145-14158.8-77.3106.7000114.7
454E56Low58.6Low194 Ų194136 Ų13691%0.90773%0.728SS**SBendtrans-100.9-6.5-176-78.6-174.6163.600117.5
455D53.9Low57.4Low166 Ų166140 Ų14089%0.88875%0.746SS**SBendtrans-108.831.6-173.5-75.5-22.9000115.6
456T55.1Low56.2Low131 Ų131142.9 Ų142.980%0.80476%0.764SS**SBendtrans-12828.1-175.6-17.90000117.1
457E55Low55.1Low196 Ų196150.3 Ų150.392%0.91679%0.79SS**SBendtrans-128.27.5176.1-73.6-159.1161.800117.5
458E50.7Low54.2Low193 Ų193157.2 Ų157.290%0.90282%0.818SS**SBendtrans-119.375.1174.1-81.2-171.9152.900112.9
459S45.9Very low53.6Low122 Ų122162.7 Ų162.785%0.85384%0.84SS**  trans-173.873.4154-91.80000111.7
460Q51.5Low53.2Low271 Ų271169.5 Ų169.5100%1.26686%0.861SS**  trans-1490145.1-87-167.1-28.600106.7

Retrieved 460 of 460 residues in 354.7 ms (Link to these results)